USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 648 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 70 HIS : no HD1:sc= -0.392 X(o=-0.39,f=0.088) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.622 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 71:sc= 0.598 USER MOD Single : A 21 MET CE :methyl -143:sc= -3 (180deg=-5.34!) USER MOD Single : A 24 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.56) USER MOD Single : A 27 SER OG : rot 101:sc= 1.31 USER MOD Single : A 32 THR OG1 : rot 82:sc= 1.27 USER MOD Single : A 33 MET CE :methyl -175:sc= -1.66 (180deg=-1.74) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 13:sc= 0.794 USER MOD Single : A 41 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0717) USER MOD Single : A 45 ASN : amide:sc= 0.597 K(o=0.6,f=-6.2!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.951 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.234 USER MOD Single : A 55 CYS SG : rot 80:sc= -0.624 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -162:sc= -0.0139 (180deg=-0.358) USER MOD Single : A 68 CYS SG : rot -126:sc= -1.77! USER MOD Single : A 71 LYS NZ :NH3+ -158:sc= -1.05! (180deg=-1.2!) USER MOD Single : A 73 ASN : amide:sc= -1.06! C(o=-1.1!,f=-1.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00875) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.0262 X(o=-0.026,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 8.389 3.630 -14.341 1.00 0.00 N ATOM 84 CA ALA A 9 7.440 4.731 -14.236 1.00 0.00 C ATOM 85 C ALA A 9 6.003 4.222 -14.276 1.00 0.00 C ATOM 86 O ALA A 9 5.186 4.575 -13.426 1.00 0.00 O ATOM 87 CB ALA A 9 7.675 5.739 -15.351 1.00 0.00 C ATOM 0 HA ALA A 9 7.598 5.224 -13.277 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.959 6.556 -15.260 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.688 6.134 -15.276 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.547 5.250 -16.317 1.00 0.00 H new ATOM 93 N ALA A 10 5.701 3.390 -15.268 1.00 0.00 N ATOM 94 CA ALA A 10 4.363 2.832 -15.416 1.00 0.00 C ATOM 95 C ALA A 10 4.189 1.586 -14.555 1.00 0.00 C ATOM 96 O ALA A 10 3.342 0.739 -14.836 1.00 0.00 O ATOM 97 CB ALA A 10 4.085 2.509 -16.877 1.00 0.00 C ATOM 0 H ALA A 10 6.365 3.088 -15.981 1.00 0.00 H new ATOM 0 HA ALA A 10 3.645 3.579 -15.077 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.082 2.093 -16.973 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.159 3.420 -17.471 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.815 1.783 -17.234 1.00 0.00 H new ATOM 103 N SER A 11 4.997 1.481 -13.505 1.00 0.00 N ATOM 104 CA SER A 11 4.936 0.335 -12.604 1.00 0.00 C ATOM 105 C SER A 11 4.543 0.772 -11.196 1.00 0.00 C ATOM 106 O SER A 11 4.516 1.964 -10.888 1.00 0.00 O ATOM 107 CB SER A 11 6.284 -0.386 -12.569 1.00 0.00 C ATOM 108 OG SER A 11 6.543 -1.043 -13.798 1.00 0.00 O ATOM 0 H SER A 11 5.702 2.175 -13.257 1.00 0.00 H new ATOM 0 HA SER A 11 4.176 -0.350 -12.979 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.078 0.331 -12.362 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.291 -1.112 -11.756 1.00 0.00 H new ATOM 0 HG SER A 11 7.411 -1.495 -13.751 1.00 0.00 H new ATOM 114 N LEU A 12 4.239 -0.202 -10.345 1.00 0.00 N ATOM 115 CA LEU A 12 3.847 0.080 -8.969 1.00 0.00 C ATOM 116 C LEU A 12 4.590 -0.829 -7.994 1.00 0.00 C ATOM 117 O LEU A 12 4.940 -1.961 -8.330 1.00 0.00 O ATOM 118 CB LEU A 12 2.337 -0.099 -8.800 1.00 0.00 C ATOM 119 CG LEU A 12 1.455 0.716 -9.747 1.00 0.00 C ATOM 120 CD1 LEU A 12 0.089 0.066 -9.896 1.00 0.00 C ATOM 121 CD2 LEU A 12 1.315 2.146 -9.246 1.00 0.00 C ATOM 0 H LEU A 12 4.257 -1.193 -10.584 1.00 0.00 H new ATOM 0 HA LEU A 12 4.111 1.114 -8.747 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.099 -1.155 -8.932 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.073 0.161 -7.775 1.00 0.00 H new ATOM 0 HG LEU A 12 1.932 0.740 -10.727 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.525 0.660 -10.573 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.207 -0.939 -10.300 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.396 0.011 -8.921 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.684 2.712 -9.932 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.861 2.142 -8.255 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.300 2.611 -9.192 1.00 0.00 H new ATOM 133 N TRP A 13 4.825 -0.327 -6.788 1.00 0.00 N ATOM 134 CA TRP A 13 5.525 -1.095 -5.764 1.00 0.00 C ATOM 135 C TRP A 13 4.542 -1.902 -4.923 1.00 0.00 C ATOM 136 O TRP A 13 3.483 -1.405 -4.542 1.00 0.00 O ATOM 137 CB TRP A 13 6.338 -0.162 -4.865 1.00 0.00 C ATOM 138 CG TRP A 13 6.711 -0.780 -3.551 1.00 0.00 C ATOM 139 CD1 TRP A 13 7.916 -1.325 -3.214 1.00 0.00 C ATOM 140 CD2 TRP A 13 5.870 -0.916 -2.399 1.00 0.00 C ATOM 141 NE1 TRP A 13 7.876 -1.793 -1.922 1.00 0.00 N ATOM 142 CE2 TRP A 13 6.633 -1.553 -1.400 1.00 0.00 C ATOM 143 CE3 TRP A 13 4.549 -0.561 -2.114 1.00 0.00 C ATOM 144 CZ2 TRP A 13 6.116 -1.841 -0.140 1.00 0.00 C ATOM 145 CZ3 TRP A 13 4.038 -0.848 -0.863 1.00 0.00 C ATOM 146 CH2 TRP A 13 4.819 -1.482 0.111 1.00 0.00 C ATOM 0 H TRP A 13 4.542 0.608 -6.494 1.00 0.00 H new ATOM 0 HA TRP A 13 6.202 -1.788 -6.263 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.246 0.136 -5.389 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.763 0.746 -4.681 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.775 -1.380 -3.866 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.647 -2.246 -1.432 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.939 -0.071 -2.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.717 -2.330 0.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.018 -0.579 -0.632 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.390 -1.692 1.079 1.00 0.00 H new ATOM 157 N MET A 14 4.901 -3.150 -4.636 1.00 0.00 N ATOM 158 CA MET A 14 4.050 -4.025 -3.838 1.00 0.00 C ATOM 159 C MET A 14 4.867 -4.766 -2.785 1.00 0.00 C ATOM 160 O MET A 14 5.566 -5.731 -3.094 1.00 0.00 O ATOM 161 CB MET A 14 3.327 -5.028 -4.739 1.00 0.00 C ATOM 162 CG MET A 14 2.249 -5.824 -4.020 1.00 0.00 C ATOM 163 SD MET A 14 1.548 -7.129 -5.047 1.00 0.00 S ATOM 164 CE MET A 14 0.121 -7.598 -4.071 1.00 0.00 C ATOM 0 H MET A 14 5.775 -3.577 -4.944 1.00 0.00 H new ATOM 0 HA MET A 14 3.311 -3.406 -3.329 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.876 -4.494 -5.575 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.058 -5.719 -5.159 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.670 -6.265 -3.116 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.454 -5.149 -3.704 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.418 -8.399 -4.577 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.448 -7.944 -3.090 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.537 -6.737 -3.951 1.00 0.00 H new ATOM 174 N GLY A 15 4.776 -4.308 -1.540 1.00 0.00 N ATOM 175 CA GLY A 15 5.513 -4.939 -0.461 1.00 0.00 C ATOM 176 C GLY A 15 4.620 -5.758 0.450 1.00 0.00 C ATOM 177 O GLY A 15 3.509 -6.129 0.071 1.00 0.00 O ATOM 0 H GLY A 15 4.205 -3.511 -1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.286 -5.582 -0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.020 -4.173 0.125 1.00 0.00 H new ATOM 181 N ASP A 16 5.106 -6.040 1.653 1.00 0.00 N ATOM 182 CA ASP A 16 4.344 -6.821 2.621 1.00 0.00 C ATOM 183 C ASP A 16 3.899 -8.150 2.018 1.00 0.00 C ATOM 184 O ASP A 16 2.888 -8.722 2.428 1.00 0.00 O ATOM 185 CB ASP A 16 3.125 -6.030 3.100 1.00 0.00 C ATOM 186 CG ASP A 16 3.426 -5.187 4.323 1.00 0.00 C ATOM 187 OD1 ASP A 16 3.589 -5.766 5.417 1.00 0.00 O ATOM 188 OD2 ASP A 16 3.498 -3.947 4.187 1.00 0.00 O ATOM 0 H ASP A 16 6.024 -5.740 1.982 1.00 0.00 H new ATOM 0 HA ASP A 16 4.991 -7.028 3.473 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.775 -5.384 2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.314 -6.721 3.329 1.00 0.00 H new ATOM 193 N LEU A 17 4.659 -8.635 1.043 1.00 0.00 N ATOM 194 CA LEU A 17 4.342 -9.896 0.382 1.00 0.00 C ATOM 195 C LEU A 17 4.815 -11.082 1.217 1.00 0.00 C ATOM 196 O LEU A 17 5.658 -10.933 2.101 1.00 0.00 O ATOM 197 CB LEU A 17 4.988 -9.944 -1.004 1.00 0.00 C ATOM 198 CG LEU A 17 4.754 -8.725 -1.897 1.00 0.00 C ATOM 199 CD1 LEU A 17 5.614 -8.806 -3.148 1.00 0.00 C ATOM 200 CD2 LEU A 17 3.282 -8.609 -2.265 1.00 0.00 C ATOM 0 H LEU A 17 5.499 -8.175 0.693 1.00 0.00 H new ATOM 0 HA LEU A 17 3.259 -9.960 0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.063 -10.076 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.618 -10.827 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 17 5.041 -7.832 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.434 -7.930 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.666 -8.839 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.360 -9.707 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.134 -7.736 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.969 -9.505 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.687 -8.502 -1.358 1.00 0.00 H new ATOM 212 N GLU A 18 4.267 -12.258 0.928 1.00 0.00 N ATOM 213 CA GLU A 18 4.634 -13.469 1.652 1.00 0.00 C ATOM 214 C GLU A 18 5.814 -14.168 0.981 1.00 0.00 C ATOM 215 O GLU A 18 6.067 -14.005 -0.212 1.00 0.00 O ATOM 216 CB GLU A 18 3.441 -14.424 1.733 1.00 0.00 C ATOM 217 CG GLU A 18 2.368 -13.975 2.711 1.00 0.00 C ATOM 218 CD GLU A 18 1.575 -15.136 3.280 1.00 0.00 C ATOM 219 OE1 GLU A 18 2.201 -16.111 3.745 1.00 0.00 O ATOM 220 OE2 GLU A 18 0.329 -15.068 3.261 1.00 0.00 O ATOM 0 H GLU A 18 3.568 -12.398 0.198 1.00 0.00 H new ATOM 0 HA GLU A 18 4.929 -13.182 2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.999 -14.524 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.796 -15.412 2.025 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.834 -13.423 3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.688 -13.287 2.208 1.00 0.00 H new ATOM 227 N PRO A 19 6.553 -14.965 1.767 1.00 0.00 N ATOM 228 CA PRO A 19 7.718 -15.705 1.271 1.00 0.00 C ATOM 229 C PRO A 19 7.327 -16.835 0.325 1.00 0.00 C ATOM 230 O PRO A 19 8.180 -17.593 -0.137 1.00 0.00 O ATOM 231 CB PRO A 19 8.348 -16.269 2.547 1.00 0.00 C ATOM 232 CG PRO A 19 7.223 -16.357 3.519 1.00 0.00 C ATOM 233 CD PRO A 19 6.309 -15.207 3.199 1.00 0.00 C ATOM 0 HA PRO A 19 8.389 -15.070 0.692 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.794 -17.247 2.369 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.141 -15.619 2.917 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.700 -17.309 3.426 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.587 -16.293 4.544 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.266 -15.457 3.392 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.543 -14.329 3.800 1.00 0.00 H new ATOM 241 N TYR A 20 6.034 -16.941 0.040 1.00 0.00 N ATOM 242 CA TYR A 20 5.531 -17.980 -0.850 1.00 0.00 C ATOM 243 C TYR A 20 4.765 -17.371 -2.021 1.00 0.00 C ATOM 244 O TYR A 20 3.843 -17.983 -2.559 1.00 0.00 O ATOM 245 CB TYR A 20 4.626 -18.945 -0.082 1.00 0.00 C ATOM 246 CG TYR A 20 3.165 -18.555 -0.106 1.00 0.00 C ATOM 247 CD1 TYR A 20 2.770 -17.252 0.171 1.00 0.00 C ATOM 248 CD2 TYR A 20 2.181 -19.489 -0.403 1.00 0.00 C ATOM 249 CE1 TYR A 20 1.437 -16.890 0.151 1.00 0.00 C ATOM 250 CE2 TYR A 20 0.845 -19.136 -0.427 1.00 0.00 C ATOM 251 CZ TYR A 20 0.478 -17.836 -0.149 1.00 0.00 C ATOM 252 OH TYR A 20 -0.851 -17.481 -0.170 1.00 0.00 O ATOM 0 H TYR A 20 5.315 -16.320 0.412 1.00 0.00 H new ATOM 0 HA TYR A 20 6.386 -18.529 -1.244 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.734 -19.944 -0.504 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.962 -18.999 0.954 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.518 -16.509 0.406 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.465 -20.508 -0.619 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.147 -15.873 0.369 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.093 -19.874 -0.662 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.027 -16.918 -0.953 1.00 0.00 H new ATOM 262 N MET A 21 5.156 -16.162 -2.410 1.00 0.00 N ATOM 263 CA MET A 21 4.509 -15.469 -3.518 1.00 0.00 C ATOM 264 C MET A 21 5.405 -15.462 -4.752 1.00 0.00 C ATOM 265 O MET A 21 6.596 -15.163 -4.664 1.00 0.00 O ATOM 266 CB MET A 21 4.161 -14.034 -3.117 1.00 0.00 C ATOM 267 CG MET A 21 3.186 -13.947 -1.954 1.00 0.00 C ATOM 268 SD MET A 21 2.235 -12.415 -1.958 1.00 0.00 S ATOM 269 CE MET A 21 0.977 -12.794 -0.741 1.00 0.00 C ATOM 0 H MET A 21 5.918 -15.642 -1.974 1.00 0.00 H new ATOM 0 HA MET A 21 3.590 -16.003 -3.761 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.078 -13.507 -2.852 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.734 -13.518 -3.977 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.502 -14.795 -1.994 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.737 -14.026 -1.017 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.028 -12.354 -1.049 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.866 -13.875 -0.657 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.270 -12.384 0.225 1.00 0.00 H new ATOM 279 N ASP A 22 4.825 -15.793 -5.901 1.00 0.00 N ATOM 280 CA ASP A 22 5.571 -15.824 -7.153 1.00 0.00 C ATOM 281 C ASP A 22 4.852 -15.022 -8.234 1.00 0.00 C ATOM 282 O ASP A 22 3.681 -14.674 -8.085 1.00 0.00 O ATOM 283 CB ASP A 22 5.770 -17.267 -7.618 1.00 0.00 C ATOM 284 CG ASP A 22 6.238 -18.176 -6.499 1.00 0.00 C ATOM 285 OD1 ASP A 22 7.128 -17.760 -5.728 1.00 0.00 O ATOM 286 OD2 ASP A 22 5.713 -19.305 -6.393 1.00 0.00 O ATOM 0 H ASP A 22 3.840 -16.044 -5.991 1.00 0.00 H new ATOM 0 HA ASP A 22 6.546 -15.370 -6.977 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.833 -17.648 -8.023 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.499 -17.287 -8.428 1.00 0.00 H new ATOM 291 N GLU A 23 5.562 -14.733 -9.320 1.00 0.00 N ATOM 292 CA GLU A 23 4.991 -13.971 -10.424 1.00 0.00 C ATOM 293 C GLU A 23 3.573 -14.442 -10.735 1.00 0.00 C ATOM 294 O GLU A 23 2.735 -13.664 -11.187 1.00 0.00 O ATOM 295 CB GLU A 23 5.868 -14.102 -11.671 1.00 0.00 C ATOM 296 CG GLU A 23 7.123 -13.246 -11.626 1.00 0.00 C ATOM 297 CD GLU A 23 7.917 -13.306 -12.916 1.00 0.00 C ATOM 298 OE1 GLU A 23 7.434 -12.768 -13.934 1.00 0.00 O ATOM 299 OE2 GLU A 23 9.020 -13.891 -12.908 1.00 0.00 O ATOM 0 H GLU A 23 6.532 -15.015 -9.459 1.00 0.00 H new ATOM 0 HA GLU A 23 4.950 -12.924 -10.125 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.155 -15.146 -11.795 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.282 -13.826 -12.548 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.846 -12.212 -11.422 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.753 -13.575 -10.800 1.00 0.00 H new ATOM 306 N ASN A 24 3.314 -15.722 -10.488 1.00 0.00 N ATOM 307 CA ASN A 24 1.998 -16.298 -10.742 1.00 0.00 C ATOM 308 C ASN A 24 0.989 -15.830 -9.698 1.00 0.00 C ATOM 309 O ASN A 24 -0.143 -15.475 -10.028 1.00 0.00 O ATOM 310 CB ASN A 24 2.079 -17.826 -10.741 1.00 0.00 C ATOM 311 CG ASN A 24 3.331 -18.339 -11.424 1.00 0.00 C ATOM 312 OD1 ASN A 24 3.812 -17.747 -12.391 1.00 0.00 O ATOM 313 ND2 ASN A 24 3.867 -19.446 -10.923 1.00 0.00 N ATOM 0 H ASN A 24 3.997 -16.380 -10.113 1.00 0.00 H new ATOM 0 HA ASN A 24 1.663 -15.959 -11.722 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.055 -18.188 -9.713 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.202 -18.234 -11.243 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.711 -19.838 -11.341 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.435 -19.904 -10.120 1.00 0.00 H new ATOM 320 N PHE A 25 1.407 -15.831 -8.436 1.00 0.00 N ATOM 321 CA PHE A 25 0.540 -15.407 -7.343 1.00 0.00 C ATOM 322 C PHE A 25 0.236 -13.914 -7.438 1.00 0.00 C ATOM 323 O PHE A 25 -0.919 -13.498 -7.343 1.00 0.00 O ATOM 324 CB PHE A 25 1.192 -15.722 -5.995 1.00 0.00 C ATOM 325 CG PHE A 25 0.333 -15.364 -4.816 1.00 0.00 C ATOM 326 CD1 PHE A 25 0.288 -14.062 -4.344 1.00 0.00 C ATOM 327 CD2 PHE A 25 -0.429 -16.330 -4.179 1.00 0.00 C ATOM 328 CE1 PHE A 25 -0.501 -13.730 -3.259 1.00 0.00 C ATOM 329 CE2 PHE A 25 -1.220 -16.003 -3.094 1.00 0.00 C ATOM 330 CZ PHE A 25 -1.256 -14.702 -2.633 1.00 0.00 C ATOM 0 H PHE A 25 2.341 -16.121 -8.145 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.398 -15.957 -7.422 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.427 -16.786 -5.954 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.137 -15.184 -5.923 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.876 -13.298 -4.830 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.405 -17.350 -4.534 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.527 -12.711 -2.901 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.810 -16.765 -2.607 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.873 -14.445 -1.785 1.00 0.00 H new ATOM 340 N ILE A 26 1.281 -13.115 -7.624 1.00 0.00 N ATOM 341 CA ILE A 26 1.126 -11.669 -7.731 1.00 0.00 C ATOM 342 C ILE A 26 0.159 -11.302 -8.851 1.00 0.00 C ATOM 343 O ILE A 26 -0.804 -10.565 -8.637 1.00 0.00 O ATOM 344 CB ILE A 26 2.478 -10.976 -7.987 1.00 0.00 C ATOM 345 CG1 ILE A 26 3.452 -11.272 -6.845 1.00 0.00 C ATOM 346 CG2 ILE A 26 2.281 -9.476 -8.148 1.00 0.00 C ATOM 347 CD1 ILE A 26 3.113 -10.551 -5.560 1.00 0.00 C ATOM 0 H ILE A 26 2.243 -13.444 -7.704 1.00 0.00 H new ATOM 0 HA ILE A 26 0.724 -11.323 -6.779 1.00 0.00 H new ATOM 0 HB ILE A 26 2.902 -11.368 -8.911 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.464 -12.346 -6.657 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.459 -10.991 -7.155 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.245 -9.000 -8.328 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.618 -9.285 -8.992 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.839 -9.068 -7.239 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.845 -10.808 -4.795 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.130 -9.475 -5.731 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.119 -10.850 -5.226 1.00 0.00 H new ATOM 359 N SER A 27 0.421 -11.821 -10.046 1.00 0.00 N ATOM 360 CA SER A 27 -0.426 -11.546 -11.201 1.00 0.00 C ATOM 361 C SER A 27 -1.828 -12.111 -10.994 1.00 0.00 C ATOM 362 O SER A 27 -2.787 -11.670 -11.628 1.00 0.00 O ATOM 363 CB SER A 27 0.194 -12.141 -12.467 1.00 0.00 C ATOM 364 OG SER A 27 1.550 -11.755 -12.602 1.00 0.00 O ATOM 0 H SER A 27 1.213 -12.434 -10.240 1.00 0.00 H new ATOM 0 HA SER A 27 -0.502 -10.465 -11.315 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.124 -13.228 -12.433 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.369 -11.812 -13.340 1.00 0.00 H new ATOM 0 HG SER A 27 2.130 -12.491 -12.314 1.00 0.00 H new ATOM 370 N ARG A 28 -1.939 -13.089 -10.101 1.00 0.00 N ATOM 371 CA ARG A 28 -3.223 -13.715 -9.810 1.00 0.00 C ATOM 372 C ARG A 28 -4.100 -12.792 -8.970 1.00 0.00 C ATOM 373 O ARG A 28 -5.313 -12.721 -9.168 1.00 0.00 O ATOM 374 CB ARG A 28 -3.013 -15.042 -9.079 1.00 0.00 C ATOM 375 CG ARG A 28 -2.808 -16.226 -10.010 1.00 0.00 C ATOM 376 CD ARG A 28 -4.129 -16.891 -10.365 1.00 0.00 C ATOM 377 NE ARG A 28 -4.080 -17.543 -11.670 1.00 0.00 N ATOM 378 CZ ARG A 28 -4.960 -18.455 -12.069 1.00 0.00 C ATOM 379 NH1 ARG A 28 -5.951 -18.820 -11.268 1.00 0.00 N ATOM 380 NH2 ARG A 28 -4.848 -19.004 -13.272 1.00 0.00 N ATOM 0 H ARG A 28 -1.156 -13.465 -9.567 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.729 -13.906 -10.756 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.147 -14.952 -8.423 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.876 -15.237 -8.442 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.311 -15.892 -10.921 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.149 -16.953 -9.536 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.381 -17.627 -9.601 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.923 -16.144 -10.362 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.329 -17.284 -12.310 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.040 -18.400 -10.343 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.625 -19.520 -11.577 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.086 -18.726 -13.891 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.524 -19.704 -13.578 1.00 0.00 H new ATOM 394 N ALA A 29 -3.479 -12.087 -8.030 1.00 0.00 N ATOM 395 CA ALA A 29 -4.202 -11.168 -7.161 1.00 0.00 C ATOM 396 C ALA A 29 -4.873 -10.062 -7.968 1.00 0.00 C ATOM 397 O ALA A 29 -6.079 -9.840 -7.854 1.00 0.00 O ATOM 398 CB ALA A 29 -3.261 -10.571 -6.125 1.00 0.00 C ATOM 0 H ALA A 29 -2.476 -12.135 -7.851 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.981 -11.731 -6.647 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.815 -9.886 -5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.832 -11.370 -5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.461 -10.029 -6.629 1.00 0.00 H new ATOM 404 N PHE A 30 -4.085 -9.370 -8.784 1.00 0.00 N ATOM 405 CA PHE A 30 -4.603 -8.285 -9.610 1.00 0.00 C ATOM 406 C PHE A 30 -5.729 -8.779 -10.513 1.00 0.00 C ATOM 407 O PHE A 30 -6.827 -8.223 -10.515 1.00 0.00 O ATOM 408 CB PHE A 30 -3.482 -7.681 -10.458 1.00 0.00 C ATOM 409 CG PHE A 30 -2.563 -6.780 -9.684 1.00 0.00 C ATOM 410 CD1 PHE A 30 -1.525 -7.306 -8.932 1.00 0.00 C ATOM 411 CD2 PHE A 30 -2.738 -5.405 -9.707 1.00 0.00 C ATOM 412 CE1 PHE A 30 -0.678 -6.480 -8.219 1.00 0.00 C ATOM 413 CE2 PHE A 30 -1.894 -4.574 -8.996 1.00 0.00 C ATOM 414 CZ PHE A 30 -0.863 -5.111 -8.250 1.00 0.00 C ATOM 0 H PHE A 30 -3.085 -9.541 -8.891 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.002 -7.517 -8.948 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.898 -8.488 -10.902 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.923 -7.117 -11.280 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.376 -8.375 -8.903 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.543 -4.979 -10.287 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.128 -6.904 -7.638 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.040 -3.504 -9.023 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.203 -4.463 -7.692 1.00 0.00 H new ATOM 424 N ALA A 31 -5.448 -9.828 -11.280 1.00 0.00 N ATOM 425 CA ALA A 31 -6.437 -10.398 -12.186 1.00 0.00 C ATOM 426 C ALA A 31 -7.749 -10.679 -11.461 1.00 0.00 C ATOM 427 O ALA A 31 -8.829 -10.377 -11.970 1.00 0.00 O ATOM 428 CB ALA A 31 -5.899 -11.673 -12.819 1.00 0.00 C ATOM 0 H ALA A 31 -4.544 -10.300 -11.292 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.635 -9.670 -12.972 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.648 -12.088 -13.493 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.992 -11.446 -13.379 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.671 -12.399 -12.038 1.00 0.00 H new ATOM 434 N THR A 32 -7.649 -11.260 -10.269 1.00 0.00 N ATOM 435 CA THR A 32 -8.827 -11.583 -9.475 1.00 0.00 C ATOM 436 C THR A 32 -9.614 -10.326 -9.122 1.00 0.00 C ATOM 437 O THR A 32 -10.843 -10.345 -9.074 1.00 0.00 O ATOM 438 CB THR A 32 -8.446 -12.318 -8.177 1.00 0.00 C ATOM 439 OG1 THR A 32 -7.734 -13.522 -8.486 1.00 0.00 O ATOM 440 CG2 THR A 32 -9.684 -12.650 -7.359 1.00 0.00 C ATOM 0 H THR A 32 -6.763 -11.516 -9.833 1.00 0.00 H new ATOM 0 HA THR A 32 -9.449 -12.238 -10.085 1.00 0.00 H new ATOM 0 HB THR A 32 -7.807 -11.660 -7.588 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.793 -13.310 -8.659 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.389 -13.169 -6.447 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.207 -11.729 -7.100 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.345 -13.290 -7.943 1.00 0.00 H new ATOM 448 N MET A 33 -8.897 -9.234 -8.876 1.00 0.00 N ATOM 449 CA MET A 33 -9.529 -7.967 -8.528 1.00 0.00 C ATOM 450 C MET A 33 -10.077 -7.274 -9.772 1.00 0.00 C ATOM 451 O MET A 33 -10.628 -6.177 -9.691 1.00 0.00 O ATOM 452 CB MET A 33 -8.530 -7.051 -7.818 1.00 0.00 C ATOM 453 CG MET A 33 -8.464 -7.273 -6.316 1.00 0.00 C ATOM 454 SD MET A 33 -10.053 -7.010 -5.505 1.00 0.00 S ATOM 455 CE MET A 33 -9.665 -5.620 -4.444 1.00 0.00 C ATOM 0 H MET A 33 -7.878 -9.201 -8.911 1.00 0.00 H new ATOM 0 HA MET A 33 -10.360 -8.177 -7.854 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.539 -7.208 -8.244 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.800 -6.013 -8.012 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.123 -8.289 -6.117 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.724 -6.598 -5.885 1.00 0.00 H new ATOM 0 HE1 MET A 33 -10.523 -5.395 -3.811 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.808 -5.868 -3.818 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.428 -4.750 -5.056 1.00 0.00 H new ATOM 465 N GLY A 34 -9.921 -7.922 -10.923 1.00 0.00 N ATOM 466 CA GLY A 34 -10.405 -7.352 -12.166 1.00 0.00 C ATOM 467 C GLY A 34 -9.411 -6.392 -12.790 1.00 0.00 C ATOM 468 O GLY A 34 -9.798 -5.380 -13.372 1.00 0.00 O ATOM 0 H GLY A 34 -9.468 -8.831 -11.016 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.621 -8.155 -12.871 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.343 -6.829 -11.981 1.00 0.00 H new ATOM 472 N GLU A 35 -8.126 -6.711 -12.666 1.00 0.00 N ATOM 473 CA GLU A 35 -7.074 -5.866 -13.221 1.00 0.00 C ATOM 474 C GLU A 35 -6.119 -6.685 -14.085 1.00 0.00 C ATOM 475 O GLU A 35 -5.753 -7.807 -13.735 1.00 0.00 O ATOM 476 CB GLU A 35 -6.298 -5.176 -12.097 1.00 0.00 C ATOM 477 CG GLU A 35 -6.897 -3.846 -11.672 1.00 0.00 C ATOM 478 CD GLU A 35 -7.273 -2.971 -12.852 1.00 0.00 C ATOM 479 OE1 GLU A 35 -6.614 -3.082 -13.907 1.00 0.00 O ATOM 480 OE2 GLU A 35 -8.227 -2.176 -12.721 1.00 0.00 O ATOM 0 H GLU A 35 -7.789 -7.546 -12.187 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.544 -5.107 -13.847 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.259 -5.840 -11.233 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.270 -5.015 -12.422 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.783 -4.029 -11.063 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.182 -3.314 -11.044 1.00 0.00 H new ATOM 487 N THR A 36 -5.719 -6.115 -15.217 1.00 0.00 N ATOM 488 CA THR A 36 -4.808 -6.790 -16.133 1.00 0.00 C ATOM 489 C THR A 36 -3.372 -6.326 -15.922 1.00 0.00 C ATOM 490 O THR A 36 -2.998 -5.226 -16.327 1.00 0.00 O ATOM 491 CB THR A 36 -5.204 -6.545 -17.602 1.00 0.00 C ATOM 492 OG1 THR A 36 -6.584 -6.871 -17.798 1.00 0.00 O ATOM 493 CG2 THR A 36 -4.343 -7.376 -18.540 1.00 0.00 C ATOM 0 H THR A 36 -6.012 -5.187 -15.522 1.00 0.00 H new ATOM 0 HA THR A 36 -4.878 -7.856 -15.919 1.00 0.00 H new ATOM 0 HB THR A 36 -5.045 -5.490 -17.827 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.828 -6.711 -18.733 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.641 -7.186 -19.571 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.296 -7.104 -18.409 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.474 -8.434 -18.313 1.00 0.00 H new ATOM 501 N VAL A 37 -2.569 -7.173 -15.285 1.00 0.00 N ATOM 502 CA VAL A 37 -1.172 -6.851 -15.021 1.00 0.00 C ATOM 503 C VAL A 37 -0.302 -7.140 -16.239 1.00 0.00 C ATOM 504 O VAL A 37 -0.552 -8.089 -16.982 1.00 0.00 O ATOM 505 CB VAL A 37 -0.630 -7.644 -13.817 1.00 0.00 C ATOM 506 CG1 VAL A 37 -0.233 -9.051 -14.239 1.00 0.00 C ATOM 507 CG2 VAL A 37 0.546 -6.916 -13.185 1.00 0.00 C ATOM 0 H VAL A 37 -2.863 -8.088 -14.942 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.131 -5.786 -14.793 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.421 -7.724 -13.071 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.148 -9.596 -13.375 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.103 -9.570 -14.641 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.542 -8.997 -15.004 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.916 -7.491 -12.336 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.342 -6.803 -13.921 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.224 -5.932 -12.844 1.00 0.00 H new ATOM 517 N MET A 38 0.722 -6.316 -16.438 1.00 0.00 N ATOM 518 CA MET A 38 1.631 -6.484 -17.566 1.00 0.00 C ATOM 519 C MET A 38 2.759 -7.449 -17.215 1.00 0.00 C ATOM 520 O MET A 38 2.987 -8.434 -17.918 1.00 0.00 O ATOM 521 CB MET A 38 2.212 -5.133 -17.986 1.00 0.00 C ATOM 522 CG MET A 38 1.205 -4.226 -18.674 1.00 0.00 C ATOM 523 SD MET A 38 0.623 -4.896 -20.243 1.00 0.00 S ATOM 524 CE MET A 38 -1.138 -5.004 -19.934 1.00 0.00 C ATOM 0 H MET A 38 0.943 -5.525 -15.833 1.00 0.00 H new ATOM 0 HA MET A 38 1.065 -6.902 -18.398 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.603 -4.625 -17.104 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.054 -5.302 -18.657 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.353 -4.068 -18.013 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.659 -3.250 -18.846 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.638 -5.403 -20.816 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.319 -5.663 -19.085 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.530 -4.011 -19.712 1.00 0.00 H new ATOM 534 N SER A 39 3.461 -7.160 -16.124 1.00 0.00 N ATOM 535 CA SER A 39 4.568 -8.001 -15.683 1.00 0.00 C ATOM 536 C SER A 39 4.827 -7.819 -14.191 1.00 0.00 C ATOM 537 O SER A 39 4.393 -6.837 -13.589 1.00 0.00 O ATOM 538 CB SER A 39 5.834 -7.671 -16.476 1.00 0.00 C ATOM 539 OG SER A 39 5.771 -8.208 -17.786 1.00 0.00 O ATOM 0 H SER A 39 3.283 -6.350 -15.529 1.00 0.00 H new ATOM 0 HA SER A 39 4.296 -9.041 -15.863 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.962 -6.590 -16.529 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.706 -8.070 -15.958 1.00 0.00 H new ATOM 0 HG SER A 39 4.855 -8.500 -17.976 1.00 0.00 H new ATOM 545 N VAL A 40 5.539 -8.773 -13.600 1.00 0.00 N ATOM 546 CA VAL A 40 5.858 -8.719 -12.178 1.00 0.00 C ATOM 547 C VAL A 40 7.266 -9.238 -11.910 1.00 0.00 C ATOM 548 O VAL A 40 7.656 -10.294 -12.410 1.00 0.00 O ATOM 549 CB VAL A 40 4.854 -9.539 -11.346 1.00 0.00 C ATOM 550 CG1 VAL A 40 4.502 -10.835 -12.059 1.00 0.00 C ATOM 551 CG2 VAL A 40 5.414 -9.819 -9.960 1.00 0.00 C ATOM 0 H VAL A 40 5.906 -9.593 -14.084 1.00 0.00 H new ATOM 0 HA VAL A 40 5.797 -7.672 -11.880 1.00 0.00 H new ATOM 0 HB VAL A 40 3.941 -8.955 -11.233 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.792 -11.401 -11.456 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.056 -10.608 -13.027 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.406 -11.427 -12.206 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.691 -10.399 -9.386 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.343 -10.383 -10.050 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.610 -8.876 -9.449 1.00 0.00 H new ATOM 561 N LYS A 41 8.027 -8.490 -11.119 1.00 0.00 N ATOM 562 CA LYS A 41 9.392 -8.874 -10.782 1.00 0.00 C ATOM 563 C LYS A 41 9.547 -9.071 -9.277 1.00 0.00 C ATOM 564 O LYS A 41 9.373 -8.134 -8.498 1.00 0.00 O ATOM 565 CB LYS A 41 10.378 -7.811 -11.271 1.00 0.00 C ATOM 566 CG LYS A 41 11.772 -8.352 -11.538 1.00 0.00 C ATOM 567 CD LYS A 41 12.769 -7.230 -11.780 1.00 0.00 C ATOM 568 CE LYS A 41 12.737 -6.759 -13.226 1.00 0.00 C ATOM 569 NZ LYS A 41 13.399 -7.731 -14.141 1.00 0.00 N ATOM 0 H LYS A 41 7.721 -7.613 -10.699 1.00 0.00 H new ATOM 0 HA LYS A 41 9.609 -9.820 -11.279 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.991 -7.361 -12.185 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.442 -7.017 -10.527 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.099 -8.953 -10.690 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.747 -9.011 -12.406 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.545 -6.393 -11.119 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.773 -7.573 -11.530 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.703 -6.613 -13.538 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.233 -5.791 -13.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.539 -7.291 -15.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.321 -8.006 -13.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.800 -8.575 -14.243 1.00 0.00 H new ATOM 583 N ILE A 42 9.874 -10.295 -8.876 1.00 0.00 N ATOM 584 CA ILE A 42 10.054 -10.613 -7.465 1.00 0.00 C ATOM 585 C ILE A 42 11.495 -10.375 -7.027 1.00 0.00 C ATOM 586 O ILE A 42 12.428 -10.950 -7.589 1.00 0.00 O ATOM 587 CB ILE A 42 9.674 -12.075 -7.165 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.300 -12.399 -7.755 1.00 0.00 C ATOM 589 CG2 ILE A 42 9.684 -12.327 -5.664 1.00 0.00 C ATOM 590 CD1 ILE A 42 7.153 -11.763 -7.001 1.00 0.00 C ATOM 0 H ILE A 42 10.020 -11.082 -9.508 1.00 0.00 H new ATOM 0 HA ILE A 42 9.393 -9.951 -6.906 1.00 0.00 H new ATOM 0 HB ILE A 42 10.412 -12.729 -7.629 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.271 -12.066 -8.792 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.163 -13.480 -7.764 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.413 -13.364 -5.467 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.681 -12.131 -5.269 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.965 -11.667 -5.179 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.210 -12.036 -7.475 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.156 -12.115 -5.970 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.266 -10.679 -7.014 1.00 0.00 H new ATOM 602 N ILE A 43 11.669 -9.525 -6.021 1.00 0.00 N ATOM 603 CA ILE A 43 12.997 -9.213 -5.506 1.00 0.00 C ATOM 604 C ILE A 43 13.457 -10.262 -4.500 1.00 0.00 C ATOM 605 O ILE A 43 12.986 -10.295 -3.363 1.00 0.00 O ATOM 606 CB ILE A 43 13.029 -7.827 -4.835 1.00 0.00 C ATOM 607 CG1 ILE A 43 12.584 -6.747 -5.824 1.00 0.00 C ATOM 608 CG2 ILE A 43 14.423 -7.526 -4.306 1.00 0.00 C ATOM 609 CD1 ILE A 43 13.228 -6.874 -7.187 1.00 0.00 C ATOM 0 H ILE A 43 10.908 -9.040 -5.546 1.00 0.00 H new ATOM 0 HA ILE A 43 13.674 -9.210 -6.360 1.00 0.00 H new ATOM 0 HB ILE A 43 12.336 -7.831 -3.994 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.501 -6.793 -5.937 1.00 0.00 H new ATOM 0 HG13 ILE A 43 12.820 -5.767 -5.410 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.429 -6.543 -3.835 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.705 -8.282 -3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.135 -7.537 -5.131 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.867 -6.076 -7.836 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.311 -6.798 -7.086 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.971 -7.840 -7.622 1.00 0.00 H new ATOM 621 N ARG A 44 14.380 -11.118 -4.926 1.00 0.00 N ATOM 622 CA ARG A 44 14.905 -12.169 -4.063 1.00 0.00 C ATOM 623 C ARG A 44 16.429 -12.121 -4.013 1.00 0.00 C ATOM 624 O ARG A 44 17.071 -11.556 -4.897 1.00 0.00 O ATOM 625 CB ARG A 44 14.443 -13.541 -4.556 1.00 0.00 C ATOM 626 CG ARG A 44 13.026 -13.545 -5.106 1.00 0.00 C ATOM 627 CD ARG A 44 12.620 -14.929 -5.589 1.00 0.00 C ATOM 628 NE ARG A 44 13.084 -15.191 -6.949 1.00 0.00 N ATOM 629 CZ ARG A 44 13.263 -16.412 -7.442 1.00 0.00 C ATOM 630 NH1 ARG A 44 13.017 -17.476 -6.690 1.00 0.00 N ATOM 631 NH2 ARG A 44 13.687 -16.570 -8.689 1.00 0.00 N ATOM 0 H ARG A 44 14.780 -11.104 -5.864 1.00 0.00 H new ATOM 0 HA ARG A 44 14.521 -12.004 -3.057 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.126 -13.888 -5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.507 -14.254 -3.734 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.334 -13.210 -4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.952 -12.835 -5.930 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.028 -15.682 -4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.535 -15.022 -5.552 1.00 0.00 H new ATOM 0 HE ARG A 44 13.281 -14.393 -7.553 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.690 -17.358 -5.731 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.155 -18.412 -7.070 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.876 -15.754 -9.271 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.824 -17.508 -9.066 1.00 0.00 H new ATOM 645 N ASN A 45 17.001 -12.718 -2.973 1.00 0.00 N ATOM 646 CA ASN A 45 18.450 -12.743 -2.807 1.00 0.00 C ATOM 647 C ASN A 45 19.086 -13.776 -3.733 1.00 0.00 C ATOM 648 O ASN A 45 18.396 -14.623 -4.301 1.00 0.00 O ATOM 649 CB ASN A 45 18.813 -13.052 -1.354 1.00 0.00 C ATOM 650 CG ASN A 45 20.155 -12.468 -0.956 1.00 0.00 C ATOM 651 OD1 ASN A 45 21.201 -13.075 -1.186 1.00 0.00 O ATOM 652 ND2 ASN A 45 20.130 -11.284 -0.356 1.00 0.00 N ATOM 0 H ASN A 45 16.484 -13.191 -2.232 1.00 0.00 H new ATOM 0 HA ASN A 45 18.838 -11.759 -3.069 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.039 -12.656 -0.697 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.833 -14.132 -1.209 1.00 0.00 H new ATOM 0 HD21 ASN A 45 21.002 -10.841 -0.065 1.00 0.00 H new ATOM 0 HD22 ASN A 45 19.239 -10.817 -0.186 1.00 0.00 H new ATOM 659 N ARG A 46 20.405 -13.701 -3.878 1.00 0.00 N ATOM 660 CA ARG A 46 21.133 -14.629 -4.734 1.00 0.00 C ATOM 661 C ARG A 46 21.688 -15.796 -3.923 1.00 0.00 C ATOM 662 O ARG A 46 21.976 -16.863 -4.467 1.00 0.00 O ATOM 663 CB ARG A 46 22.274 -13.905 -5.452 1.00 0.00 C ATOM 664 CG ARG A 46 23.245 -13.212 -4.510 1.00 0.00 C ATOM 665 CD ARG A 46 24.410 -12.594 -5.265 1.00 0.00 C ATOM 666 NE ARG A 46 24.124 -11.226 -5.690 1.00 0.00 N ATOM 667 CZ ARG A 46 24.906 -10.533 -6.510 1.00 0.00 C ATOM 668 NH1 ARG A 46 26.015 -11.076 -6.992 1.00 0.00 N ATOM 669 NH2 ARG A 46 24.578 -9.293 -6.850 1.00 0.00 N ATOM 0 H ARG A 46 20.991 -13.007 -3.414 1.00 0.00 H new ATOM 0 HA ARG A 46 20.437 -15.023 -5.475 1.00 0.00 H new ATOM 0 HB2 ARG A 46 22.822 -14.624 -6.061 1.00 0.00 H new ATOM 0 HB3 ARG A 46 21.852 -13.166 -6.133 1.00 0.00 H new ATOM 0 HG2 ARG A 46 22.720 -12.437 -3.951 1.00 0.00 H new ATOM 0 HG3 ARG A 46 23.622 -13.930 -3.782 1.00 0.00 H new ATOM 0 HD2 ARG A 46 25.296 -12.598 -4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 46 24.640 -13.204 -6.138 1.00 0.00 H new ATOM 0 HE ARG A 46 23.278 -10.779 -5.338 1.00 0.00 H new ATOM 0 HH11 ARG A 46 26.270 -12.029 -6.733 1.00 0.00 H new ATOM 0 HH12 ARG A 46 26.613 -10.541 -7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 46 23.725 -8.872 -6.482 1.00 0.00 H new ATOM 0 HH22 ARG A 46 25.179 -8.761 -7.480 1.00 0.00 H new ATOM 683 N LEU A 47 21.835 -15.586 -2.620 1.00 0.00 N ATOM 684 CA LEU A 47 22.356 -16.621 -1.732 1.00 0.00 C ATOM 685 C LEU A 47 21.220 -17.364 -1.037 1.00 0.00 C ATOM 686 O LEU A 47 21.190 -18.595 -1.013 1.00 0.00 O ATOM 687 CB LEU A 47 23.290 -16.003 -0.690 1.00 0.00 C ATOM 688 CG LEU A 47 24.658 -15.549 -1.201 1.00 0.00 C ATOM 689 CD1 LEU A 47 25.267 -14.525 -0.255 1.00 0.00 C ATOM 690 CD2 LEU A 47 25.588 -16.742 -1.369 1.00 0.00 C ATOM 0 H LEU A 47 21.601 -14.709 -2.154 1.00 0.00 H new ATOM 0 HA LEU A 47 22.917 -17.335 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.787 -15.144 -0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.445 -16.730 0.107 1.00 0.00 H new ATOM 0 HG LEU A 47 24.523 -15.079 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.240 -14.213 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 47 24.610 -13.658 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.388 -14.969 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 47 26.557 -16.400 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 47 25.717 -17.241 -0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.157 -17.441 -2.086 1.00 0.00 H new ATOM 702 N THR A 48 20.283 -16.608 -0.472 1.00 0.00 N ATOM 703 CA THR A 48 19.144 -17.194 0.223 1.00 0.00 C ATOM 704 C THR A 48 18.008 -17.502 -0.745 1.00 0.00 C ATOM 705 O THR A 48 17.248 -18.448 -0.545 1.00 0.00 O ATOM 706 CB THR A 48 18.621 -16.260 1.330 1.00 0.00 C ATOM 707 OG1 THR A 48 18.189 -15.019 0.761 1.00 0.00 O ATOM 708 CG2 THR A 48 19.698 -15.998 2.372 1.00 0.00 C ATOM 0 H THR A 48 20.291 -15.588 -0.482 1.00 0.00 H new ATOM 0 HA THR A 48 19.493 -18.122 0.676 1.00 0.00 H new ATOM 0 HB THR A 48 17.778 -16.749 1.818 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.856 -14.432 1.471 1.00 0.00 H new ATOM 0 HG21 THR A 48 19.305 -15.336 3.143 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.003 -16.941 2.825 1.00 0.00 H new ATOM 0 HG23 THR A 48 20.559 -15.529 1.896 1.00 0.00 H new ATOM 716 N GLY A 49 17.899 -16.697 -1.798 1.00 0.00 N ATOM 717 CA GLY A 49 16.853 -16.901 -2.783 1.00 0.00 C ATOM 718 C GLY A 49 15.488 -16.483 -2.273 1.00 0.00 C ATOM 719 O GLY A 49 14.496 -16.563 -2.999 1.00 0.00 O ATOM 0 H GLY A 49 18.517 -15.907 -1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.090 -16.334 -3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.825 -17.953 -3.067 1.00 0.00 H new ATOM 723 N ILE A 50 15.436 -16.037 -1.023 1.00 0.00 N ATOM 724 CA ILE A 50 14.182 -15.606 -0.418 1.00 0.00 C ATOM 725 C ILE A 50 13.810 -14.197 -0.868 1.00 0.00 C ATOM 726 O ILE A 50 14.654 -13.305 -0.959 1.00 0.00 O ATOM 727 CB ILE A 50 14.258 -15.638 1.120 1.00 0.00 C ATOM 728 CG1 ILE A 50 14.554 -17.057 1.609 1.00 0.00 C ATOM 729 CG2 ILE A 50 12.961 -15.123 1.726 1.00 0.00 C ATOM 730 CD1 ILE A 50 14.801 -17.144 3.099 1.00 0.00 C ATOM 0 H ILE A 50 16.247 -15.965 -0.409 1.00 0.00 H new ATOM 0 HA ILE A 50 13.415 -16.306 -0.750 1.00 0.00 H new ATOM 0 HB ILE A 50 15.070 -14.986 1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 50 13.716 -17.704 1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.428 -17.440 1.081 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.031 -15.152 2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.790 -14.097 1.401 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.132 -15.751 1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.004 -18.179 3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.658 -16.524 3.363 1.00 0.00 H new ATOM 0 HD13 ILE A 50 13.920 -16.792 3.635 1.00 0.00 H new ATOM 742 N PRO A 51 12.516 -13.990 -1.155 1.00 0.00 N ATOM 743 CA PRO A 51 12.002 -12.690 -1.598 1.00 0.00 C ATOM 744 C PRO A 51 12.024 -11.648 -0.485 1.00 0.00 C ATOM 745 O PRO A 51 11.413 -11.837 0.566 1.00 0.00 O ATOM 746 CB PRO A 51 10.562 -13.001 -2.012 1.00 0.00 C ATOM 747 CG PRO A 51 10.192 -14.207 -1.219 1.00 0.00 C ATOM 748 CD PRO A 51 11.456 -15.008 -1.068 1.00 0.00 C ATOM 0 HA PRO A 51 12.607 -12.263 -2.398 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.898 -12.165 -1.794 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.491 -13.194 -3.082 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.790 -13.926 -0.246 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.421 -14.787 -1.727 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.485 -15.538 -0.116 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.553 -15.758 -1.853 1.00 0.00 H new ATOM 756 N ALA A 52 12.730 -10.548 -0.725 1.00 0.00 N ATOM 757 CA ALA A 52 12.829 -9.475 0.257 1.00 0.00 C ATOM 758 C ALA A 52 11.477 -9.198 0.905 1.00 0.00 C ATOM 759 O ALA A 52 11.404 -8.798 2.066 1.00 0.00 O ATOM 760 CB ALA A 52 13.372 -8.212 -0.395 1.00 0.00 C ATOM 0 H ALA A 52 13.242 -10.376 -1.591 1.00 0.00 H new ATOM 0 HA ALA A 52 13.519 -9.793 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.441 -7.419 0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.362 -8.411 -0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.703 -7.900 -1.197 1.00 0.00 H new ATOM 766 N GLY A 53 10.406 -9.414 0.147 1.00 0.00 N ATOM 767 CA GLY A 53 9.071 -9.182 0.665 1.00 0.00 C ATOM 768 C GLY A 53 8.297 -8.171 -0.159 1.00 0.00 C ATOM 769 O GLY A 53 7.232 -7.709 0.253 1.00 0.00 O ATOM 0 H GLY A 53 10.440 -9.746 -0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.524 -10.124 0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.140 -8.831 1.695 1.00 0.00 H new ATOM 773 N TYR A 54 8.834 -7.825 -1.323 1.00 0.00 N ATOM 774 CA TYR A 54 8.188 -6.859 -2.205 1.00 0.00 C ATOM 775 C TYR A 54 8.529 -7.141 -3.665 1.00 0.00 C ATOM 776 O TYR A 54 9.591 -7.684 -3.972 1.00 0.00 O ATOM 777 CB TYR A 54 8.614 -5.436 -1.836 1.00 0.00 C ATOM 778 CG TYR A 54 10.072 -5.149 -2.117 1.00 0.00 C ATOM 779 CD1 TYR A 54 11.051 -5.434 -1.174 1.00 0.00 C ATOM 780 CD2 TYR A 54 10.469 -4.590 -3.326 1.00 0.00 C ATOM 781 CE1 TYR A 54 12.384 -5.172 -1.427 1.00 0.00 C ATOM 782 CE2 TYR A 54 11.800 -4.326 -3.588 1.00 0.00 C ATOM 783 CZ TYR A 54 12.753 -4.619 -2.635 1.00 0.00 C ATOM 784 OH TYR A 54 14.079 -4.356 -2.891 1.00 0.00 O ATOM 0 H TYR A 54 9.714 -8.198 -1.678 1.00 0.00 H new ATOM 0 HA TYR A 54 7.110 -6.953 -2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.999 -4.726 -2.390 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.417 -5.270 -0.777 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.766 -5.868 -0.227 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.725 -4.358 -4.073 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.133 -5.399 -0.683 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.092 -3.893 -4.533 1.00 0.00 H new ATOM 0 HH TYR A 54 14.169 -3.969 -3.787 1.00 0.00 H new ATOM 794 N CYS A 55 7.621 -6.769 -4.560 1.00 0.00 N ATOM 795 CA CYS A 55 7.824 -6.981 -5.988 1.00 0.00 C ATOM 796 C CYS A 55 7.336 -5.780 -6.791 1.00 0.00 C ATOM 797 O CYS A 55 6.557 -4.964 -6.297 1.00 0.00 O ATOM 798 CB CYS A 55 7.094 -8.245 -6.446 1.00 0.00 C ATOM 799 SG CYS A 55 5.322 -8.016 -6.722 1.00 0.00 S ATOM 0 H CYS A 55 6.737 -6.319 -4.322 1.00 0.00 H new ATOM 0 HA CYS A 55 8.893 -7.103 -6.163 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.551 -8.601 -7.369 1.00 0.00 H new ATOM 0 HB3 CYS A 55 7.236 -9.025 -5.698 1.00 0.00 H new ATOM 0 HG CYS A 55 5.132 -7.463 -7.883 1.00 0.00 H new ATOM 805 N PHE A 56 7.800 -5.676 -8.032 1.00 0.00 N ATOM 806 CA PHE A 56 7.414 -4.572 -8.903 1.00 0.00 C ATOM 807 C PHE A 56 6.445 -5.045 -9.983 1.00 0.00 C ATOM 808 O PHE A 56 6.630 -6.108 -10.577 1.00 0.00 O ATOM 809 CB PHE A 56 8.652 -3.948 -9.551 1.00 0.00 C ATOM 810 CG PHE A 56 9.528 -3.209 -8.580 1.00 0.00 C ATOM 811 CD1 PHE A 56 9.139 -1.980 -8.072 1.00 0.00 C ATOM 812 CD2 PHE A 56 10.741 -3.743 -8.176 1.00 0.00 C ATOM 813 CE1 PHE A 56 9.942 -1.298 -7.178 1.00 0.00 C ATOM 814 CE2 PHE A 56 11.548 -3.066 -7.282 1.00 0.00 C ATOM 815 CZ PHE A 56 11.149 -1.841 -6.784 1.00 0.00 C ATOM 0 H PHE A 56 8.444 -6.343 -8.457 1.00 0.00 H new ATOM 0 HA PHE A 56 6.913 -3.820 -8.294 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.236 -4.733 -10.030 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.335 -3.262 -10.337 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.197 -1.550 -8.378 1.00 0.00 H new ATOM 0 HD2 PHE A 56 11.059 -4.699 -8.564 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.626 -0.342 -6.788 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.490 -3.494 -6.973 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.780 -1.309 -6.088 1.00 0.00 H new ATOM 825 N VAL A 57 5.411 -4.249 -10.232 1.00 0.00 N ATOM 826 CA VAL A 57 4.412 -4.584 -11.240 1.00 0.00 C ATOM 827 C VAL A 57 4.373 -3.534 -12.345 1.00 0.00 C ATOM 828 O VAL A 57 4.397 -2.334 -12.075 1.00 0.00 O ATOM 829 CB VAL A 57 3.009 -4.713 -10.619 1.00 0.00 C ATOM 830 CG1 VAL A 57 2.728 -6.157 -10.230 1.00 0.00 C ATOM 831 CG2 VAL A 57 2.872 -3.792 -9.417 1.00 0.00 C ATOM 0 H VAL A 57 5.243 -3.366 -9.749 1.00 0.00 H new ATOM 0 HA VAL A 57 4.702 -5.545 -11.666 1.00 0.00 H new ATOM 0 HB VAL A 57 2.272 -4.412 -11.364 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.732 -6.229 -9.793 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.782 -6.790 -11.116 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.469 -6.488 -9.502 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.874 -3.896 -8.991 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.617 -4.059 -8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.027 -2.760 -9.730 1.00 0.00 H new ATOM 841 N GLU A 58 4.310 -3.996 -13.591 1.00 0.00 N ATOM 842 CA GLU A 58 4.267 -3.095 -14.737 1.00 0.00 C ATOM 843 C GLU A 58 2.848 -2.978 -15.283 1.00 0.00 C ATOM 844 O GLU A 58 2.026 -3.878 -15.107 1.00 0.00 O ATOM 845 CB GLU A 58 5.210 -3.589 -15.837 1.00 0.00 C ATOM 846 CG GLU A 58 5.591 -2.513 -16.839 1.00 0.00 C ATOM 847 CD GLU A 58 6.928 -2.782 -17.504 1.00 0.00 C ATOM 848 OE1 GLU A 58 7.949 -2.820 -16.786 1.00 0.00 O ATOM 849 OE2 GLU A 58 6.952 -2.954 -18.740 1.00 0.00 O ATOM 0 H GLU A 58 4.288 -4.987 -13.832 1.00 0.00 H new ATOM 0 HA GLU A 58 4.592 -2.109 -14.405 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.116 -3.983 -15.377 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.736 -4.415 -16.366 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.817 -2.443 -17.603 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.628 -1.548 -16.334 1.00 0.00 H new ATOM 856 N PHE A 59 2.566 -1.861 -15.947 1.00 0.00 N ATOM 857 CA PHE A 59 1.245 -1.624 -16.518 1.00 0.00 C ATOM 858 C PHE A 59 1.352 -0.870 -17.840 1.00 0.00 C ATOM 859 O PHE A 59 2.430 -0.414 -18.222 1.00 0.00 O ATOM 860 CB PHE A 59 0.376 -0.835 -15.536 1.00 0.00 C ATOM 861 CG PHE A 59 -0.058 -1.636 -14.342 1.00 0.00 C ATOM 862 CD1 PHE A 59 0.782 -1.787 -13.251 1.00 0.00 C ATOM 863 CD2 PHE A 59 -1.305 -2.238 -14.311 1.00 0.00 C ATOM 864 CE1 PHE A 59 0.386 -2.523 -12.150 1.00 0.00 C ATOM 865 CE2 PHE A 59 -1.707 -2.975 -13.213 1.00 0.00 C ATOM 866 CZ PHE A 59 -0.860 -3.119 -12.132 1.00 0.00 C ATOM 0 H PHE A 59 3.234 -1.106 -16.103 1.00 0.00 H new ATOM 0 HA PHE A 59 0.779 -2.591 -16.708 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.930 0.040 -15.195 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.508 -0.469 -16.059 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.758 -1.324 -13.261 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.971 -2.130 -15.154 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.050 -2.632 -11.305 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.683 -3.438 -13.201 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.171 -3.697 -11.274 1.00 0.00 H new ATOM 876 N ALA A 60 0.226 -0.743 -18.535 1.00 0.00 N ATOM 877 CA ALA A 60 0.192 -0.043 -19.813 1.00 0.00 C ATOM 878 C ALA A 60 0.888 1.311 -19.716 1.00 0.00 C ATOM 879 O ALA A 60 1.806 1.603 -20.483 1.00 0.00 O ATOM 880 CB ALA A 60 -1.245 0.132 -20.280 1.00 0.00 C ATOM 0 H ALA A 60 -0.674 -1.116 -18.234 1.00 0.00 H new ATOM 0 HA ALA A 60 0.729 -0.646 -20.545 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.256 0.656 -21.236 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.711 -0.846 -20.398 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.799 0.712 -19.542 1.00 0.00 H new ATOM 886 N ASP A 61 0.444 2.132 -18.772 1.00 0.00 N ATOM 887 CA ASP A 61 1.025 3.456 -18.575 1.00 0.00 C ATOM 888 C ASP A 61 0.789 3.946 -17.150 1.00 0.00 C ATOM 889 O ASP A 61 0.114 3.286 -16.358 1.00 0.00 O ATOM 890 CB ASP A 61 0.431 4.450 -19.574 1.00 0.00 C ATOM 891 CG ASP A 61 0.774 4.103 -21.010 1.00 0.00 C ATOM 892 OD1 ASP A 61 1.863 4.504 -21.473 1.00 0.00 O ATOM 893 OD2 ASP A 61 -0.045 3.430 -21.669 1.00 0.00 O ATOM 0 H ASP A 61 -0.316 1.905 -18.131 1.00 0.00 H new ATOM 0 HA ASP A 61 2.100 3.383 -18.742 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.653 4.474 -19.458 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.798 5.451 -19.348 1.00 0.00 H new ATOM 898 N LEU A 62 1.351 5.106 -16.829 1.00 0.00 N ATOM 899 CA LEU A 62 1.203 5.686 -15.498 1.00 0.00 C ATOM 900 C LEU A 62 -0.265 5.948 -15.178 1.00 0.00 C ATOM 901 O LEU A 62 -0.730 5.667 -14.074 1.00 0.00 O ATOM 902 CB LEU A 62 1.999 6.988 -15.396 1.00 0.00 C ATOM 903 CG LEU A 62 1.883 7.743 -14.071 1.00 0.00 C ATOM 904 CD1 LEU A 62 2.626 7.005 -12.969 1.00 0.00 C ATOM 905 CD2 LEU A 62 2.415 9.161 -14.218 1.00 0.00 C ATOM 0 H LEU A 62 1.913 5.664 -17.472 1.00 0.00 H new ATOM 0 HA LEU A 62 1.592 4.972 -14.772 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.051 6.762 -15.572 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.677 7.651 -16.199 1.00 0.00 H new ATOM 0 HG LEU A 62 0.829 7.797 -13.797 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.532 7.557 -12.034 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.200 6.009 -12.847 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.679 6.919 -13.235 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.325 9.684 -13.266 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.463 9.127 -14.516 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.839 9.689 -14.978 1.00 0.00 H new ATOM 917 N ALA A 63 -0.991 6.486 -16.153 1.00 0.00 N ATOM 918 CA ALA A 63 -2.408 6.781 -15.976 1.00 0.00 C ATOM 919 C ALA A 63 -3.164 5.559 -15.468 1.00 0.00 C ATOM 920 O ALA A 63 -3.798 5.601 -14.413 1.00 0.00 O ATOM 921 CB ALA A 63 -3.011 7.272 -17.284 1.00 0.00 C ATOM 0 H ALA A 63 -0.622 6.726 -17.073 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.500 7.568 -15.228 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.069 7.489 -17.138 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.496 8.178 -17.605 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.900 6.502 -18.047 1.00 0.00 H new ATOM 927 N THR A 64 -3.096 4.469 -16.226 1.00 0.00 N ATOM 928 CA THR A 64 -3.776 3.235 -15.853 1.00 0.00 C ATOM 929 C THR A 64 -3.309 2.740 -14.489 1.00 0.00 C ATOM 930 O THR A 64 -4.110 2.271 -13.681 1.00 0.00 O ATOM 931 CB THR A 64 -3.540 2.126 -16.897 1.00 0.00 C ATOM 932 OG1 THR A 64 -4.071 2.527 -18.165 1.00 0.00 O ATOM 933 CG2 THR A 64 -4.191 0.823 -16.458 1.00 0.00 C ATOM 0 H THR A 64 -2.577 4.416 -17.102 1.00 0.00 H new ATOM 0 HA THR A 64 -4.841 3.462 -15.809 1.00 0.00 H new ATOM 0 HB THR A 64 -2.466 1.965 -16.988 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.916 1.818 -18.824 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.011 0.055 -17.210 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.765 0.506 -15.506 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.264 0.973 -16.342 1.00 0.00 H new ATOM 941 N ALA A 65 -2.008 2.848 -14.239 1.00 0.00 N ATOM 942 CA ALA A 65 -1.436 2.414 -12.971 1.00 0.00 C ATOM 943 C ALA A 65 -2.103 3.123 -11.796 1.00 0.00 C ATOM 944 O ALA A 65 -2.497 2.487 -10.819 1.00 0.00 O ATOM 945 CB ALA A 65 0.065 2.663 -12.957 1.00 0.00 C ATOM 0 H ALA A 65 -1.331 3.232 -14.898 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.617 1.344 -12.866 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.479 2.334 -12.004 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.534 2.106 -13.768 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.258 3.728 -13.089 1.00 0.00 H new ATOM 951 N GLU A 66 -2.224 4.443 -11.899 1.00 0.00 N ATOM 952 CA GLU A 66 -2.842 5.236 -10.843 1.00 0.00 C ATOM 953 C GLU A 66 -4.232 4.705 -10.506 1.00 0.00 C ATOM 954 O GLU A 66 -4.472 4.216 -9.402 1.00 0.00 O ATOM 955 CB GLU A 66 -2.933 6.704 -11.265 1.00 0.00 C ATOM 956 CG GLU A 66 -1.712 7.524 -10.883 1.00 0.00 C ATOM 957 CD GLU A 66 -1.635 8.840 -11.633 1.00 0.00 C ATOM 958 OE1 GLU A 66 -2.379 9.775 -11.270 1.00 0.00 O ATOM 959 OE2 GLU A 66 -0.831 8.934 -12.584 1.00 0.00 O ATOM 0 H GLU A 66 -1.903 4.985 -12.701 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.218 5.159 -9.953 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.071 6.755 -12.345 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.817 7.150 -10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.732 7.722 -9.811 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.812 6.943 -11.083 1.00 0.00 H new ATOM 966 N LYS A 67 -5.146 4.806 -11.465 1.00 0.00 N ATOM 967 CA LYS A 67 -6.513 4.337 -11.273 1.00 0.00 C ATOM 968 C LYS A 67 -6.529 2.884 -10.808 1.00 0.00 C ATOM 969 O LYS A 67 -7.379 2.487 -10.009 1.00 0.00 O ATOM 970 CB LYS A 67 -7.310 4.476 -12.572 1.00 0.00 C ATOM 971 CG LYS A 67 -7.234 5.863 -13.186 1.00 0.00 C ATOM 972 CD LYS A 67 -7.257 5.803 -14.704 1.00 0.00 C ATOM 973 CE LYS A 67 -8.671 5.616 -15.233 1.00 0.00 C ATOM 974 NZ LYS A 67 -9.076 4.183 -15.243 1.00 0.00 N ATOM 0 H LYS A 67 -4.964 5.209 -12.384 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.977 4.953 -10.502 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.942 3.747 -13.294 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.354 4.231 -12.376 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.071 6.465 -12.832 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.322 6.359 -12.854 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.833 6.721 -15.112 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.628 4.982 -15.046 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.367 6.186 -14.617 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.737 6.019 -16.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.893 4.058 -15.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.284 3.601 -15.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.334 3.888 -14.279 1.00 0.00 H new ATOM 988 N CYS A 68 -5.585 2.096 -11.310 1.00 0.00 N ATOM 989 CA CYS A 68 -5.490 0.687 -10.945 1.00 0.00 C ATOM 990 C CYS A 68 -4.809 0.521 -9.590 1.00 0.00 C ATOM 991 O CYS A 68 -4.894 -0.537 -8.966 1.00 0.00 O ATOM 992 CB CYS A 68 -4.719 -0.087 -12.015 1.00 0.00 C ATOM 993 SG CYS A 68 -5.687 -0.463 -13.495 1.00 0.00 S ATOM 0 H CYS A 68 -4.874 2.409 -11.971 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.501 0.286 -10.874 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.842 0.491 -12.305 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.358 -1.020 -11.583 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.637 -1.740 -13.733 1.00 0.00 H new ATOM 999 N LEU A 69 -4.133 1.573 -9.141 1.00 0.00 N ATOM 1000 CA LEU A 69 -3.435 1.544 -7.860 1.00 0.00 C ATOM 1001 C LEU A 69 -4.315 2.107 -6.748 1.00 0.00 C ATOM 1002 O LEU A 69 -4.137 1.778 -5.575 1.00 0.00 O ATOM 1003 CB LEU A 69 -2.133 2.341 -7.949 1.00 0.00 C ATOM 1004 CG LEU A 69 -1.656 2.993 -6.650 1.00 0.00 C ATOM 1005 CD1 LEU A 69 -0.890 1.992 -5.800 1.00 0.00 C ATOM 1006 CD2 LEU A 69 -0.793 4.211 -6.951 1.00 0.00 C ATOM 0 H LEU A 69 -4.053 2.456 -9.645 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.203 0.506 -7.623 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.347 1.677 -8.309 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.259 3.122 -8.699 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.530 3.321 -6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.559 2.474 -4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.539 1.151 -5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.023 1.633 -6.354 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.462 4.663 -6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.076 3.906 -7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.374 4.937 -7.519 1.00 0.00 H new ATOM 1018 N HIS A 70 -5.266 2.955 -7.125 1.00 0.00 N ATOM 1019 CA HIS A 70 -6.176 3.561 -6.160 1.00 0.00 C ATOM 1020 C HIS A 70 -7.425 2.704 -5.978 1.00 0.00 C ATOM 1021 O HIS A 70 -8.198 2.906 -5.041 1.00 0.00 O ATOM 1022 CB HIS A 70 -6.570 4.968 -6.613 1.00 0.00 C ATOM 1023 CG HIS A 70 -5.488 5.985 -6.419 1.00 0.00 C ATOM 1024 ND1 HIS A 70 -5.613 7.063 -5.568 1.00 0.00 N ATOM 1025 CD2 HIS A 70 -4.256 6.082 -6.969 1.00 0.00 C ATOM 1026 CE1 HIS A 70 -4.504 7.781 -5.606 1.00 0.00 C ATOM 1027 NE2 HIS A 70 -3.664 7.207 -6.448 1.00 0.00 N ATOM 0 H HIS A 70 -5.427 3.238 -8.092 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.660 3.627 -5.202 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.844 4.938 -7.668 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.456 5.283 -6.062 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.819 5.401 -7.685 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.317 8.684 -5.044 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.728 7.544 -6.675 1.00 0.00 H new ATOM 1035 N LYS A 71 -7.616 1.747 -6.879 1.00 0.00 N ATOM 1036 CA LYS A 71 -8.770 0.858 -6.818 1.00 0.00 C ATOM 1037 C LYS A 71 -8.490 -0.336 -5.910 1.00 0.00 C ATOM 1038 O LYS A 71 -9.413 -1.018 -5.465 1.00 0.00 O ATOM 1039 CB LYS A 71 -9.138 0.370 -8.221 1.00 0.00 C ATOM 1040 CG LYS A 71 -8.021 -0.392 -8.913 1.00 0.00 C ATOM 1041 CD LYS A 71 -8.067 -1.874 -8.580 1.00 0.00 C ATOM 1042 CE LYS A 71 -9.208 -2.572 -9.304 1.00 0.00 C ATOM 1043 NZ LYS A 71 -9.415 -3.960 -8.805 1.00 0.00 N ATOM 0 H LYS A 71 -6.986 1.567 -7.661 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.608 1.419 -6.403 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.017 -0.271 -8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.415 1.228 -8.834 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.102 -0.258 -9.992 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.058 0.020 -8.612 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.121 -2.340 -8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.184 -2.003 -7.504 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.126 -1.999 -9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.998 -2.598 -10.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.911 -4.519 -9.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.493 -4.397 -8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.986 -3.935 -7.936 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.213 -0.581 -5.640 1.00 0.00 N ATOM 1058 CA ILE A 72 -6.813 -1.690 -4.783 1.00 0.00 C ATOM 1059 C ILE A 72 -6.009 -1.197 -3.584 1.00 0.00 C ATOM 1060 O ILE A 72 -5.819 -1.924 -2.610 1.00 0.00 O ATOM 1061 CB ILE A 72 -5.977 -2.726 -5.557 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -5.200 -2.046 -6.686 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -6.873 -3.825 -6.109 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -4.544 -3.020 -7.640 1.00 0.00 C ATOM 0 H ILE A 72 -6.437 -0.027 -6.002 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.730 -2.164 -4.432 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.261 -3.179 -4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.878 -1.402 -7.246 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.434 -1.403 -6.253 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.267 -4.549 -6.653 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.384 -4.325 -5.286 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.610 -3.389 -6.783 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.011 -2.468 -8.414 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.841 -3.648 -7.093 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.307 -3.647 -8.101 1.00 0.00 H new ATOM 1076 N ASN A 73 -5.540 0.044 -3.663 1.00 0.00 N ATOM 1077 CA ASN A 73 -4.757 0.635 -2.584 1.00 0.00 C ATOM 1078 C ASN A 73 -5.573 0.706 -1.297 1.00 0.00 C ATOM 1079 O ASN A 73 -6.123 1.752 -0.955 1.00 0.00 O ATOM 1080 CB ASN A 73 -4.283 2.035 -2.979 1.00 0.00 C ATOM 1081 CG ASN A 73 -4.028 2.920 -1.774 1.00 0.00 C ATOM 1082 OD1 ASN A 73 -4.742 3.896 -1.545 1.00 0.00 O ATOM 1083 ND2 ASN A 73 -3.006 2.582 -0.997 1.00 0.00 N ATOM 0 H ASN A 73 -5.688 0.660 -4.463 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.888 0.001 -2.408 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.369 1.954 -3.567 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.032 2.503 -3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.786 3.140 -0.172 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.441 1.764 -1.225 1.00 0.00 H new ATOM 1090 N GLY A 74 -5.644 -0.415 -0.585 1.00 0.00 N ATOM 1091 CA GLY A 74 -6.393 -0.458 0.657 1.00 0.00 C ATOM 1092 C GLY A 74 -7.311 -1.662 0.739 1.00 0.00 C ATOM 1093 O GLY A 74 -7.609 -2.153 1.828 1.00 0.00 O ATOM 0 H GLY A 74 -5.196 -1.293 -0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.698 -0.477 1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.984 0.453 0.753 1.00 0.00 H new ATOM 1097 N LYS A 75 -7.763 -2.139 -0.416 1.00 0.00 N ATOM 1098 CA LYS A 75 -8.653 -3.292 -0.473 1.00 0.00 C ATOM 1099 C LYS A 75 -7.929 -4.560 -0.032 1.00 0.00 C ATOM 1100 O LYS A 75 -6.706 -4.667 -0.119 1.00 0.00 O ATOM 1101 CB LYS A 75 -9.201 -3.471 -1.890 1.00 0.00 C ATOM 1102 CG LYS A 75 -10.378 -2.565 -2.207 1.00 0.00 C ATOM 1103 CD LYS A 75 -11.665 -3.087 -1.590 1.00 0.00 C ATOM 1104 CE LYS A 75 -12.849 -2.197 -1.936 1.00 0.00 C ATOM 1105 NZ LYS A 75 -14.045 -2.519 -1.109 1.00 0.00 N ATOM 0 H LYS A 75 -7.527 -1.744 -1.326 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.483 -3.112 0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.402 -3.279 -2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.506 -4.509 -2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.176 -1.561 -1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.497 -2.486 -3.288 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.855 -4.100 -1.944 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.554 -3.143 -0.507 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.574 -1.153 -1.786 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.095 -2.314 -2.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.830 -1.891 -1.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.323 -3.508 -1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.818 -2.383 -0.103 1.00 0.00 H new ATOM 1119 N PRO A 76 -8.700 -5.545 0.452 1.00 0.00 N ATOM 1120 CA PRO A 76 -8.153 -6.824 0.913 1.00 0.00 C ATOM 1121 C PRO A 76 -7.618 -7.674 -0.234 1.00 0.00 C ATOM 1122 O PRO A 76 -8.293 -7.864 -1.247 1.00 0.00 O ATOM 1123 CB PRO A 76 -9.356 -7.508 1.570 1.00 0.00 C ATOM 1124 CG PRO A 76 -10.544 -6.906 0.903 1.00 0.00 C ATOM 1125 CD PRO A 76 -10.166 -5.486 0.585 1.00 0.00 C ATOM 0 HA PRO A 76 -7.305 -6.686 1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.325 -8.588 1.425 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.374 -7.331 2.645 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.801 -7.454 -0.004 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.417 -6.941 1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.639 -5.140 -0.334 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.470 -4.802 1.377 1.00 0.00 H new ATOM 1133 N LEU A 77 -6.403 -8.184 -0.070 1.00 0.00 N ATOM 1134 CA LEU A 77 -5.777 -9.015 -1.092 1.00 0.00 C ATOM 1135 C LEU A 77 -6.371 -10.420 -1.092 1.00 0.00 C ATOM 1136 O LEU A 77 -6.370 -11.120 -0.079 1.00 0.00 O ATOM 1137 CB LEU A 77 -4.266 -9.088 -0.864 1.00 0.00 C ATOM 1138 CG LEU A 77 -3.568 -10.343 -1.389 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -3.758 -10.470 -2.893 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -2.087 -10.316 -1.037 1.00 0.00 C ATOM 0 H LEU A 77 -5.831 -8.037 0.762 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.970 -8.559 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.806 -8.218 -1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.076 -9.012 0.207 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.019 -11.213 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.254 -11.369 -3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.822 -10.536 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.334 -9.596 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.606 -11.217 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.622 -9.438 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.971 -10.274 0.046 1.00 0.00 H new ATOM 1152 N PRO A 78 -6.890 -10.843 -2.254 1.00 0.00 N ATOM 1153 CA PRO A 78 -7.495 -12.169 -2.414 1.00 0.00 C ATOM 1154 C PRO A 78 -6.462 -13.289 -2.354 1.00 0.00 C ATOM 1155 O PRO A 78 -5.311 -13.107 -2.751 1.00 0.00 O ATOM 1156 CB PRO A 78 -8.133 -12.103 -3.804 1.00 0.00 C ATOM 1157 CG PRO A 78 -7.343 -11.071 -4.534 1.00 0.00 C ATOM 1158 CD PRO A 78 -6.926 -10.061 -3.501 1.00 0.00 C ATOM 0 HA PRO A 78 -8.203 -12.393 -1.616 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.085 -13.068 -4.308 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.186 -11.827 -3.744 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.474 -11.516 -5.018 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.940 -10.604 -5.317 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.953 -9.628 -3.732 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.635 -9.235 -3.437 1.00 0.00 H new ATOM 1166 N GLY A 79 -6.880 -14.449 -1.857 1.00 0.00 N ATOM 1167 CA GLY A 79 -5.978 -15.581 -1.755 1.00 0.00 C ATOM 1168 C GLY A 79 -5.117 -15.527 -0.509 1.00 0.00 C ATOM 1169 O GLY A 79 -4.968 -16.525 0.194 1.00 0.00 O ATOM 0 H GLY A 79 -7.828 -14.625 -1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.558 -16.504 -1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.336 -15.610 -2.635 1.00 0.00 H new ATOM 1173 N ALA A 80 -4.548 -14.357 -0.235 1.00 0.00 N ATOM 1174 CA ALA A 80 -3.698 -14.177 0.935 1.00 0.00 C ATOM 1175 C ALA A 80 -4.204 -15.001 2.113 1.00 0.00 C ATOM 1176 O ALA A 80 -5.402 -15.030 2.396 1.00 0.00 O ATOM 1177 CB ALA A 80 -3.624 -12.704 1.311 1.00 0.00 C ATOM 0 H ALA A 80 -4.661 -13.520 -0.808 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.697 -14.528 0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.986 -12.584 2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.209 -12.136 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.625 -12.336 1.538 1.00 0.00 H new ATOM 1183 N THR A 81 -3.283 -15.673 2.799 1.00 0.00 N ATOM 1184 CA THR A 81 -3.636 -16.500 3.945 1.00 0.00 C ATOM 1185 C THR A 81 -2.901 -16.043 5.200 1.00 0.00 C ATOM 1186 O THR A 81 -1.678 -15.898 5.214 1.00 0.00 O ATOM 1187 CB THR A 81 -3.314 -17.984 3.688 1.00 0.00 C ATOM 1188 OG1 THR A 81 -4.074 -18.464 2.573 1.00 0.00 O ATOM 1189 CG2 THR A 81 -3.622 -18.826 4.917 1.00 0.00 C ATOM 0 H THR A 81 -2.287 -15.660 2.580 1.00 0.00 H new ATOM 0 HA THR A 81 -4.710 -16.390 4.095 1.00 0.00 H new ATOM 0 HB THR A 81 -2.250 -18.069 3.466 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.862 -19.408 2.415 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.387 -19.870 4.711 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.021 -18.477 5.757 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.679 -18.735 5.165 1.00 0.00 H new ATOM 1197 N PRO A 82 -3.661 -15.810 6.281 1.00 0.00 N ATOM 1198 CA PRO A 82 -5.117 -15.979 6.275 1.00 0.00 C ATOM 1199 C PRO A 82 -5.820 -14.921 5.432 1.00 0.00 C ATOM 1200 O PRO A 82 -6.678 -15.238 4.610 1.00 0.00 O ATOM 1201 CB PRO A 82 -5.497 -15.826 7.750 1.00 0.00 C ATOM 1202 CG PRO A 82 -4.408 -14.995 8.338 1.00 0.00 C ATOM 1203 CD PRO A 82 -3.157 -15.364 7.590 1.00 0.00 C ATOM 0 HA PRO A 82 -5.415 -16.933 5.840 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.468 -15.342 7.861 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.566 -16.795 8.244 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.627 -13.933 8.232 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.298 -15.193 9.404 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.482 -14.514 7.492 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.603 -16.154 8.098 1.00 0.00 H new ATOM 1211 N ALA A 83 -5.449 -13.661 5.641 1.00 0.00 N ATOM 1212 CA ALA A 83 -6.043 -12.557 4.898 1.00 0.00 C ATOM 1213 C ALA A 83 -5.244 -11.273 5.092 1.00 0.00 C ATOM 1214 O ALA A 83 -5.159 -10.744 6.201 1.00 0.00 O ATOM 1215 CB ALA A 83 -7.489 -12.351 5.324 1.00 0.00 C ATOM 0 H ALA A 83 -4.740 -13.380 6.319 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.021 -12.811 3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.920 -11.523 4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.059 -13.259 5.128 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.526 -12.123 6.389 1.00 0.00 H new ATOM 1221 N LYS A 84 -4.660 -10.775 4.007 1.00 0.00 N ATOM 1222 CA LYS A 84 -3.868 -9.552 4.057 1.00 0.00 C ATOM 1223 C LYS A 84 -4.528 -8.443 3.244 1.00 0.00 C ATOM 1224 O LYS A 84 -5.594 -8.639 2.660 1.00 0.00 O ATOM 1225 CB LYS A 84 -2.455 -9.813 3.531 1.00 0.00 C ATOM 1226 CG LYS A 84 -1.561 -10.537 4.522 1.00 0.00 C ATOM 1227 CD LYS A 84 -1.796 -12.038 4.493 1.00 0.00 C ATOM 1228 CE LYS A 84 -0.575 -12.804 4.980 1.00 0.00 C ATOM 1229 NZ LYS A 84 -0.273 -12.514 6.409 1.00 0.00 N ATOM 0 H LYS A 84 -4.721 -11.200 3.082 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.808 -9.230 5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.520 -10.402 2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.994 -8.862 3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.516 -10.327 4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.748 -10.158 5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.654 -12.285 5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.041 -12.349 3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.743 -13.874 4.854 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.287 -12.542 4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.523 -13.105 6.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.021 -11.510 6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.110 -12.724 6.990 1.00 0.00 H new ATOM 1243 N ARG A 85 -3.886 -7.280 3.209 1.00 0.00 N ATOM 1244 CA ARG A 85 -4.412 -6.140 2.467 1.00 0.00 C ATOM 1245 C ARG A 85 -3.529 -5.821 1.263 1.00 0.00 C ATOM 1246 O ARG A 85 -2.378 -6.254 1.192 1.00 0.00 O ATOM 1247 CB ARG A 85 -4.513 -4.915 3.377 1.00 0.00 C ATOM 1248 CG ARG A 85 -5.535 -3.891 2.908 1.00 0.00 C ATOM 1249 CD ARG A 85 -6.123 -3.116 4.077 1.00 0.00 C ATOM 1250 NE ARG A 85 -7.238 -3.826 4.699 1.00 0.00 N ATOM 1251 CZ ARG A 85 -7.791 -3.460 5.850 1.00 0.00 C ATOM 1252 NH1 ARG A 85 -7.336 -2.398 6.501 1.00 0.00 N ATOM 1253 NH2 ARG A 85 -8.802 -4.157 6.353 1.00 0.00 N ATOM 0 H ARG A 85 -3.002 -7.102 3.685 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.408 -6.400 2.108 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.774 -5.241 4.384 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.535 -4.438 3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.064 -3.198 2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.334 -4.395 2.365 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.347 -2.938 4.821 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.463 -2.140 3.731 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.612 -4.647 4.224 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.559 -1.859 6.118 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.763 -2.120 7.385 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.155 -4.975 5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.226 -3.875 7.237 1.00 0.00 H new ATOM 1267 N PHE A 86 -4.076 -5.063 0.319 1.00 0.00 N ATOM 1268 CA PHE A 86 -3.339 -4.688 -0.882 1.00 0.00 C ATOM 1269 C PHE A 86 -2.386 -3.531 -0.597 1.00 0.00 C ATOM 1270 O PHE A 86 -2.796 -2.371 -0.547 1.00 0.00 O ATOM 1271 CB PHE A 86 -4.309 -4.300 -2.001 1.00 0.00 C ATOM 1272 CG PHE A 86 -4.670 -5.444 -2.905 1.00 0.00 C ATOM 1273 CD1 PHE A 86 -3.688 -6.127 -3.605 1.00 0.00 C ATOM 1274 CD2 PHE A 86 -5.990 -5.837 -3.054 1.00 0.00 C ATOM 1275 CE1 PHE A 86 -4.017 -7.180 -4.438 1.00 0.00 C ATOM 1276 CE2 PHE A 86 -6.325 -6.888 -3.886 1.00 0.00 C ATOM 1277 CZ PHE A 86 -5.337 -7.562 -4.578 1.00 0.00 C ATOM 0 H PHE A 86 -5.027 -4.696 0.362 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.752 -5.549 -1.201 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.219 -3.896 -1.558 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.864 -3.503 -2.597 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.654 -5.833 -3.498 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.766 -5.316 -2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.243 -7.704 -4.979 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.358 -7.182 -3.995 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.596 -8.386 -5.227 1.00 0.00 H new ATOM 1287 N LYS A 87 -1.111 -3.856 -0.409 1.00 0.00 N ATOM 1288 CA LYS A 87 -0.097 -2.846 -0.129 1.00 0.00 C ATOM 1289 C LYS A 87 0.565 -2.368 -1.417 1.00 0.00 C ATOM 1290 O LYS A 87 1.463 -3.025 -1.945 1.00 0.00 O ATOM 1291 CB LYS A 87 0.961 -3.407 0.824 1.00 0.00 C ATOM 1292 CG LYS A 87 1.589 -2.355 1.722 1.00 0.00 C ATOM 1293 CD LYS A 87 0.824 -2.205 3.026 1.00 0.00 C ATOM 1294 CE LYS A 87 0.930 -0.791 3.576 1.00 0.00 C ATOM 1295 NZ LYS A 87 -0.237 -0.439 4.431 1.00 0.00 N ATOM 0 H LYS A 87 -0.755 -4.811 -0.446 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.588 -1.995 0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.506 -4.178 1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.745 -3.889 0.240 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.623 -2.628 1.935 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.613 -1.398 1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.224 -2.456 2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.212 -2.912 3.760 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.847 -0.695 4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.001 -0.084 2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.127 0.532 4.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.111 -0.506 3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.290 -1.097 5.234 1.00 0.00 H new ATOM 1309 N LEU A 88 0.119 -1.221 -1.916 1.00 0.00 N ATOM 1310 CA LEU A 88 0.670 -0.654 -3.142 1.00 0.00 C ATOM 1311 C LEU A 88 1.093 0.796 -2.929 1.00 0.00 C ATOM 1312 O LEU A 88 0.438 1.544 -2.205 1.00 0.00 O ATOM 1313 CB LEU A 88 -0.357 -0.737 -4.273 1.00 0.00 C ATOM 1314 CG LEU A 88 -1.080 -2.076 -4.425 1.00 0.00 C ATOM 1315 CD1 LEU A 88 -2.152 -1.984 -5.500 1.00 0.00 C ATOM 1316 CD2 LEU A 88 -0.090 -3.184 -4.750 1.00 0.00 C ATOM 0 H LEU A 88 -0.623 -0.665 -1.491 1.00 0.00 H new ATOM 0 HA LEU A 88 1.551 -1.234 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.104 0.041 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.147 -0.510 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.563 -2.315 -3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.656 -2.946 -5.594 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.878 -1.219 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.691 -1.721 -6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.623 -4.129 -4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.423 -2.952 -5.683 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.641 -3.267 -3.945 1.00 0.00 H new ATOM 1328 N ASN A 89 2.192 1.186 -3.567 1.00 0.00 N ATOM 1329 CA ASN A 89 2.701 2.547 -3.449 1.00 0.00 C ATOM 1330 C ASN A 89 3.498 2.940 -4.690 1.00 0.00 C ATOM 1331 O ASN A 89 3.976 2.080 -5.431 1.00 0.00 O ATOM 1332 CB ASN A 89 3.579 2.679 -2.203 1.00 0.00 C ATOM 1333 CG ASN A 89 2.780 3.056 -0.971 1.00 0.00 C ATOM 1334 OD1 ASN A 89 2.383 2.194 -0.187 1.00 0.00 O ATOM 1335 ND2 ASN A 89 2.540 4.351 -0.794 1.00 0.00 N ATOM 0 H ASN A 89 2.747 0.579 -4.171 1.00 0.00 H new ATOM 0 HA ASN A 89 1.849 3.220 -3.358 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.095 1.736 -2.024 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.346 3.433 -2.380 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.007 4.665 0.017 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.888 5.031 -1.470 1.00 0.00 H new ATOM 1342 N TYR A 90 3.637 4.242 -4.909 1.00 0.00 N ATOM 1343 CA TYR A 90 4.375 4.749 -6.061 1.00 0.00 C ATOM 1344 C TYR A 90 5.768 4.131 -6.130 1.00 0.00 C ATOM 1345 O TYR A 90 6.462 4.024 -5.120 1.00 0.00 O ATOM 1346 CB TYR A 90 4.483 6.273 -5.993 1.00 0.00 C ATOM 1347 CG TYR A 90 3.223 6.989 -6.426 1.00 0.00 C ATOM 1348 CD1 TYR A 90 2.538 6.600 -7.570 1.00 0.00 C ATOM 1349 CD2 TYR A 90 2.720 8.055 -5.692 1.00 0.00 C ATOM 1350 CE1 TYR A 90 1.387 7.251 -7.970 1.00 0.00 C ATOM 1351 CE2 TYR A 90 1.569 8.712 -6.083 1.00 0.00 C ATOM 1352 CZ TYR A 90 0.906 8.306 -7.223 1.00 0.00 C ATOM 1353 OH TYR A 90 -0.239 8.959 -7.617 1.00 0.00 O ATOM 0 H TYR A 90 3.249 4.966 -4.305 1.00 0.00 H new ATOM 0 HA TYR A 90 3.829 4.470 -6.962 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.725 6.567 -4.972 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.311 6.599 -6.623 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.912 5.774 -8.157 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.237 8.376 -4.800 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.867 6.936 -8.862 1.00 0.00 H new ATOM 0 HE2 TYR A 90 1.191 9.538 -5.500 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.442 9.677 -6.981 1.00 0.00 H new ATOM 1363 N ALA A 91 6.170 3.728 -7.331 1.00 0.00 N ATOM 1364 CA ALA A 91 7.481 3.124 -7.534 1.00 0.00 C ATOM 1365 C ALA A 91 8.557 3.871 -6.755 1.00 0.00 C ATOM 1366 O ALA A 91 9.396 3.261 -6.091 1.00 0.00 O ATOM 1367 CB ALA A 91 7.824 3.094 -9.016 1.00 0.00 C ATOM 0 H ALA A 91 5.607 3.809 -8.178 1.00 0.00 H new ATOM 0 HA ALA A 91 7.444 2.101 -7.160 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.806 2.640 -9.153 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.076 2.509 -9.551 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.837 4.111 -9.407 1.00 0.00 H new