USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 671 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 78 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 43 ASN : amide:sc= 0 X(o=-0.017,f=0.13) USER MOD Set 2.2: A 45 THR OG1 : rot 180:sc= -0.0166 USER MOD Set 3.1: A 29 CYS SG : rot -157:sc= -0.597 USER MOD Set 3.2: A 79 CYS SG : rot 108:sc= 1.81 USER MOD Set 4.1: A 24 MET CE :methyl -134:sc= 0 (180deg=0) USER MOD Set 4.2: A 65 ASN : amide:sc= -0.451 K(o=-0.45,f=-1.8) USER MOD Single : A 11 MET CE :methyl 162:sc= -0.0784 (180deg=-0.455) USER MOD Single : A 18 ASN : amide:sc= -0.471 K(o=-0.47,f=-6.7!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= -0.0524 (180deg=-0.316) USER MOD Single : A 31 THR OG1 : rot 120:sc= -0.194 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -100:sc= 1.16 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -72:sc= 1.26 USER MOD Single : A 53 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-5.6!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.071 X(o=-0.071,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -5.13! C(o=-5.1!,f=-5.2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.962 USER MOD Single : A 77 TYR OH : rot -27:sc= 0.925 USER MOD Single : A 80 MET CE :methyl -176:sc= -3.66 (180deg=-3.85) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.578 K(o=-0.58,f=-4.1!) USER MOD Single : A 87 ASN : amide:sc= -1.74 X(o=-1.7,f=-1.9!) USER MOD Single : A 88 SER OG : rot -163:sc= -0.291 USER MOD Single : A 89 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.6) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0644 K(o=-0.064,f=-2) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 10 12.729 0.350 -5.702 1.00 0.00 N ATOM 101 CA ILE A 10 11.320 0.597 -5.980 1.00 0.00 C ATOM 102 C ILE A 10 11.151 1.548 -7.159 1.00 0.00 C ATOM 103 O ILE A 10 11.112 2.766 -6.987 1.00 0.00 O ATOM 104 CB ILE A 10 10.599 1.186 -4.753 1.00 0.00 C ATOM 105 CG1 ILE A 10 10.788 0.276 -3.537 1.00 0.00 C ATOM 106 CG2 ILE A 10 9.120 1.381 -5.050 1.00 0.00 C ATOM 107 CD1 ILE A 10 10.783 1.019 -2.219 1.00 0.00 C ATOM 0 HA ILE A 10 10.873 -0.366 -6.226 1.00 0.00 H new ATOM 0 HB ILE A 10 11.035 2.159 -4.527 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.995 -0.472 -3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.731 -0.261 -3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.625 1.798 -4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.005 2.065 -5.891 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.669 0.420 -5.299 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.922 0.311 -1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.593 1.748 -2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.830 1.534 -2.095 1.00 0.00 H new ATOM 119 N MET A 11 11.048 0.983 -8.358 1.00 0.00 N ATOM 120 CA MET A 11 10.880 1.781 -9.567 1.00 0.00 C ATOM 121 C MET A 11 9.734 2.775 -9.407 1.00 0.00 C ATOM 122 O MET A 11 9.830 3.923 -9.842 1.00 0.00 O ATOM 123 CB MET A 11 10.619 0.874 -10.771 1.00 0.00 C ATOM 124 CG MET A 11 9.348 0.050 -10.646 1.00 0.00 C ATOM 125 SD MET A 11 9.048 -0.987 -12.090 1.00 0.00 S ATOM 126 CE MET A 11 10.427 -2.126 -11.981 1.00 0.00 C ATOM 0 H MET A 11 11.078 -0.024 -8.518 1.00 0.00 H new ATOM 0 HA MET A 11 11.801 2.339 -9.735 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.558 1.486 -11.671 1.00 0.00 H new ATOM 0 HB3 MET A 11 11.467 0.202 -10.900 1.00 0.00 H new ATOM 0 HG2 MET A 11 9.414 -0.580 -9.759 1.00 0.00 H new ATOM 0 HG3 MET A 11 8.499 0.718 -10.501 1.00 0.00 H new ATOM 0 HE1 MET A 11 10.221 -3.006 -12.590 1.00 0.00 H new ATOM 0 HE2 MET A 11 11.332 -1.638 -12.343 1.00 0.00 H new ATOM 0 HE3 MET A 11 10.568 -2.428 -10.943 1.00 0.00 H new ATOM 136 N ASP A 12 8.651 2.327 -8.781 1.00 0.00 N ATOM 137 CA ASP A 12 7.487 3.178 -8.563 1.00 0.00 C ATOM 138 C ASP A 12 7.090 3.189 -7.090 1.00 0.00 C ATOM 139 O ASP A 12 6.636 2.179 -6.552 1.00 0.00 O ATOM 140 CB ASP A 12 6.312 2.700 -9.418 1.00 0.00 C ATOM 141 CG ASP A 12 4.991 3.294 -8.970 1.00 0.00 C ATOM 142 OD1 ASP A 12 5.001 4.415 -8.418 1.00 0.00 O ATOM 143 OD2 ASP A 12 3.948 2.639 -9.172 1.00 0.00 O ATOM 0 H ASP A 12 8.555 1.380 -8.416 1.00 0.00 H new ATOM 0 HA ASP A 12 7.750 4.194 -8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.492 2.966 -10.459 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.252 1.613 -9.373 1.00 0.00 H new ATOM 148 N ALA A 13 7.264 4.336 -6.444 1.00 0.00 N ATOM 149 CA ALA A 13 6.923 4.478 -5.034 1.00 0.00 C ATOM 150 C ALA A 13 5.554 5.128 -4.863 1.00 0.00 C ATOM 151 O ALA A 13 5.159 6.010 -5.626 1.00 0.00 O ATOM 152 CB ALA A 13 7.988 5.290 -4.312 1.00 0.00 C ATOM 0 H ALA A 13 7.639 5.181 -6.874 1.00 0.00 H new ATOM 0 HA ALA A 13 6.881 3.482 -4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.720 5.388 -3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.950 4.785 -4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.058 6.280 -4.762 1.00 0.00 H new ATOM 158 N PRO A 14 4.810 4.684 -3.839 1.00 0.00 N ATOM 159 CA PRO A 14 3.474 5.208 -3.544 1.00 0.00 C ATOM 160 C PRO A 14 3.515 6.640 -3.020 1.00 0.00 C ATOM 161 O PRO A 14 4.535 7.090 -2.496 1.00 0.00 O ATOM 162 CB PRO A 14 2.950 4.259 -2.464 1.00 0.00 C ATOM 163 CG PRO A 14 4.173 3.717 -1.810 1.00 0.00 C ATOM 164 CD PRO A 14 5.218 3.635 -2.889 1.00 0.00 C ATOM 0 HA PRO A 14 2.847 5.249 -4.435 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.318 4.785 -1.748 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.346 3.461 -2.897 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.501 4.365 -0.998 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.981 2.735 -1.377 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.218 3.817 -2.495 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.234 2.652 -3.359 1.00 0.00 H new ATOM 172 N ARG A 15 2.402 7.351 -3.165 1.00 0.00 N ATOM 173 CA ARG A 15 2.312 8.732 -2.706 1.00 0.00 C ATOM 174 C ARG A 15 1.018 8.964 -1.931 1.00 0.00 C ATOM 175 O ARG A 15 0.076 8.177 -2.026 1.00 0.00 O ATOM 176 CB ARG A 15 2.387 9.692 -3.895 1.00 0.00 C ATOM 177 CG ARG A 15 1.127 9.708 -4.745 1.00 0.00 C ATOM 178 CD ARG A 15 1.330 10.499 -6.028 1.00 0.00 C ATOM 179 NE ARG A 15 1.976 9.701 -7.066 1.00 0.00 N ATOM 180 CZ ARG A 15 2.030 10.062 -8.344 1.00 0.00 C ATOM 181 NH1 ARG A 15 1.481 11.203 -8.737 1.00 0.00 N ATOM 182 NH2 ARG A 15 2.636 9.282 -9.230 1.00 0.00 N ATOM 0 H ARG A 15 1.550 6.994 -3.597 1.00 0.00 H new ATOM 0 HA ARG A 15 3.153 8.923 -2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.579 10.700 -3.526 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.235 9.415 -4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.838 8.686 -4.989 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.307 10.143 -4.174 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.366 10.854 -6.391 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.936 11.380 -5.818 1.00 0.00 H new ATOM 0 HE ARG A 15 2.410 8.818 -6.796 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.016 11.806 -8.058 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.524 11.478 -9.718 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.061 8.404 -8.931 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.677 9.560 -10.211 1.00 0.00 H new ATOM 196 N ASP A 16 0.981 10.049 -1.166 1.00 0.00 N ATOM 197 CA ASP A 16 -0.197 10.386 -0.374 1.00 0.00 C ATOM 198 C ASP A 16 -1.466 10.268 -1.212 1.00 0.00 C ATOM 199 O ASP A 16 -1.562 10.841 -2.299 1.00 0.00 O ATOM 200 CB ASP A 16 -0.072 11.803 0.187 1.00 0.00 C ATOM 201 CG ASP A 16 -0.507 12.861 -0.808 1.00 0.00 C ATOM 202 OD1 ASP A 16 -1.709 13.199 -0.828 1.00 0.00 O ATOM 203 OD2 ASP A 16 0.356 13.352 -1.565 1.00 0.00 O ATOM 0 H ASP A 16 1.752 10.710 -1.077 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.262 9.680 0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.676 11.888 1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.963 11.985 0.478 1.00 0.00 H new ATOM 208 N LEU A 17 -2.439 9.521 -0.701 1.00 0.00 N ATOM 209 CA LEU A 17 -3.703 9.326 -1.403 1.00 0.00 C ATOM 210 C LEU A 17 -4.879 9.764 -0.536 1.00 0.00 C ATOM 211 O LEU A 17 -4.981 9.383 0.629 1.00 0.00 O ATOM 212 CB LEU A 17 -3.867 7.859 -1.801 1.00 0.00 C ATOM 213 CG LEU A 17 -5.241 7.459 -2.340 1.00 0.00 C ATOM 214 CD1 LEU A 17 -5.521 8.160 -3.661 1.00 0.00 C ATOM 215 CD2 LEU A 17 -5.330 5.949 -2.507 1.00 0.00 C ATOM 0 H LEU A 17 -2.377 9.041 0.197 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.689 9.940 -2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.119 7.623 -2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.646 7.240 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.997 7.770 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.503 7.863 -4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.501 9.240 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.760 7.880 -4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.315 5.683 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.565 5.615 -3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.175 5.466 -1.542 1.00 0.00 H new ATOM 227 N ASN A 18 -5.768 10.566 -1.115 1.00 0.00 N ATOM 228 CA ASN A 18 -6.939 11.054 -0.395 1.00 0.00 C ATOM 229 C ASN A 18 -8.220 10.464 -0.978 1.00 0.00 C ATOM 230 O ASN A 18 -8.624 10.808 -2.089 1.00 0.00 O ATOM 231 CB ASN A 18 -6.997 12.582 -0.451 1.00 0.00 C ATOM 232 CG ASN A 18 -6.929 13.112 -1.870 1.00 0.00 C ATOM 233 OD1 ASN A 18 -6.776 12.348 -2.823 1.00 0.00 O ATOM 234 ND2 ASN A 18 -7.044 14.427 -2.016 1.00 0.00 N ATOM 0 H ASN A 18 -5.700 10.891 -2.079 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.854 10.738 0.645 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.919 12.925 0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.171 12.996 0.128 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.007 14.842 -2.947 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.170 15.022 -1.197 1.00 0.00 H new ATOM 241 N ILE A 19 -8.853 9.575 -0.220 1.00 0.00 N ATOM 242 CA ILE A 19 -10.089 8.939 -0.660 1.00 0.00 C ATOM 243 C ILE A 19 -11.175 9.054 0.404 1.00 0.00 C ATOM 244 O ILE A 19 -10.885 9.261 1.582 1.00 0.00 O ATOM 245 CB ILE A 19 -9.869 7.452 -0.994 1.00 0.00 C ATOM 246 CG1 ILE A 19 -11.142 6.847 -1.588 1.00 0.00 C ATOM 247 CG2 ILE A 19 -9.442 6.687 0.250 1.00 0.00 C ATOM 248 CD1 ILE A 19 -10.899 5.572 -2.367 1.00 0.00 C ATOM 0 H ILE A 19 -8.531 9.279 0.701 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.409 9.462 -1.561 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.073 7.375 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.847 6.642 -0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.611 7.580 -2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.290 5.638 -0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.512 7.106 0.633 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.218 6.769 1.011 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.845 5.199 -2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.218 5.775 -3.194 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.458 4.822 -1.710 1.00 0.00 H new ATOM 260 N SER A 20 -12.428 8.917 -0.020 1.00 0.00 N ATOM 261 CA SER A 20 -13.559 9.007 0.896 1.00 0.00 C ATOM 262 C SER A 20 -13.832 7.660 1.557 1.00 0.00 C ATOM 263 O SER A 20 -13.417 6.616 1.054 1.00 0.00 O ATOM 264 CB SER A 20 -14.807 9.486 0.153 1.00 0.00 C ATOM 265 OG SER A 20 -14.655 10.823 -0.293 1.00 0.00 O ATOM 0 H SER A 20 -12.685 8.743 -0.992 1.00 0.00 H new ATOM 0 HA SER A 20 -13.308 9.729 1.673 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.998 8.835 -0.700 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.674 9.415 0.809 1.00 0.00 H new ATOM 0 HG SER A 20 -15.466 11.104 -0.766 1.00 0.00 H new ATOM 271 N GLU A 21 -14.532 7.692 2.686 1.00 0.00 N ATOM 272 CA GLU A 21 -14.860 6.473 3.416 1.00 0.00 C ATOM 273 C GLU A 21 -15.830 5.606 2.619 1.00 0.00 C ATOM 274 O GLU A 21 -16.817 6.098 2.075 1.00 0.00 O ATOM 275 CB GLU A 21 -15.467 6.816 4.779 1.00 0.00 C ATOM 276 CG GLU A 21 -15.983 5.605 5.537 1.00 0.00 C ATOM 277 CD GLU A 21 -17.097 5.954 6.505 1.00 0.00 C ATOM 278 OE1 GLU A 21 -16.838 6.719 7.457 1.00 0.00 O ATOM 279 OE2 GLU A 21 -18.228 5.461 6.309 1.00 0.00 O ATOM 0 H GLU A 21 -14.883 8.548 3.115 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.938 5.912 3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.715 7.321 5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.286 7.521 4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.344 4.863 4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.160 5.147 6.086 1.00 0.00 H new ATOM 286 N GLY A 22 -15.539 4.310 2.554 1.00 0.00 N ATOM 287 CA GLY A 22 -16.393 3.394 1.821 1.00 0.00 C ATOM 288 C GLY A 22 -16.176 3.471 0.323 1.00 0.00 C ATOM 289 O GLY A 22 -17.133 3.454 -0.451 1.00 0.00 O ATOM 0 H GLY A 22 -14.727 3.879 2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.204 2.376 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.436 3.616 2.046 1.00 0.00 H new ATOM 293 N ARG A 23 -14.915 3.559 -0.087 1.00 0.00 N ATOM 294 CA ARG A 23 -14.575 3.643 -1.502 1.00 0.00 C ATOM 295 C ARG A 23 -13.376 2.757 -1.827 1.00 0.00 C ATOM 296 O ARG A 23 -12.679 2.286 -0.929 1.00 0.00 O ATOM 297 CB ARG A 23 -14.273 5.091 -1.891 1.00 0.00 C ATOM 298 CG ARG A 23 -15.472 6.017 -1.770 1.00 0.00 C ATOM 299 CD ARG A 23 -15.402 7.154 -2.778 1.00 0.00 C ATOM 300 NE ARG A 23 -16.613 7.971 -2.767 1.00 0.00 N ATOM 301 CZ ARG A 23 -17.766 7.583 -3.300 1.00 0.00 C ATOM 302 NH1 ARG A 23 -17.864 6.396 -3.883 1.00 0.00 N ATOM 303 NH2 ARG A 23 -18.824 8.382 -3.251 1.00 0.00 N ATOM 0 H ARG A 23 -14.112 3.574 0.541 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.431 3.291 -2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.469 5.468 -1.259 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.909 5.114 -2.918 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.389 5.449 -1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.517 6.426 -0.761 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.539 7.782 -2.557 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.250 6.744 -3.777 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.571 8.890 -2.326 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.053 5.779 -3.923 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.751 6.100 -4.292 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.753 9.296 -2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.709 8.082 -3.661 1.00 0.00 H new ATOM 317 N MET A 24 -13.143 2.536 -3.116 1.00 0.00 N ATOM 318 CA MET A 24 -12.027 1.707 -3.559 1.00 0.00 C ATOM 319 C MET A 24 -10.759 2.540 -3.715 1.00 0.00 C ATOM 320 O MET A 24 -10.751 3.549 -4.420 1.00 0.00 O ATOM 321 CB MET A 24 -12.368 1.022 -4.885 1.00 0.00 C ATOM 322 CG MET A 24 -11.638 -0.295 -5.093 1.00 0.00 C ATOM 323 SD MET A 24 -12.260 -1.216 -6.513 1.00 0.00 S ATOM 324 CE MET A 24 -11.749 -2.879 -6.088 1.00 0.00 C ATOM 0 H MET A 24 -13.711 2.919 -3.872 1.00 0.00 H new ATOM 0 HA MET A 24 -11.849 0.945 -2.800 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.442 0.843 -4.927 1.00 0.00 H new ATOM 0 HB3 MET A 24 -12.125 1.696 -5.706 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.574 -0.099 -5.229 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.737 -0.907 -4.196 1.00 0.00 H new ATOM 0 HE1 MET A 24 -11.293 -3.353 -6.957 1.00 0.00 H new ATOM 0 HE2 MET A 24 -11.025 -2.840 -5.274 1.00 0.00 H new ATOM 0 HE3 MET A 24 -12.618 -3.457 -5.773 1.00 0.00 H new ATOM 334 N ALA A 25 -9.690 2.112 -3.052 1.00 0.00 N ATOM 335 CA ALA A 25 -8.416 2.818 -3.119 1.00 0.00 C ATOM 336 C ALA A 25 -7.292 1.882 -3.552 1.00 0.00 C ATOM 337 O ALA A 25 -7.478 0.668 -3.626 1.00 0.00 O ATOM 338 CB ALA A 25 -8.092 3.449 -1.773 1.00 0.00 C ATOM 0 H ALA A 25 -9.681 1.280 -2.462 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.504 3.607 -3.866 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.138 3.973 -1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.877 4.156 -1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.028 2.671 -1.012 1.00 0.00 H new ATOM 344 N GLU A 26 -6.128 2.457 -3.837 1.00 0.00 N ATOM 345 CA GLU A 26 -4.975 1.673 -4.265 1.00 0.00 C ATOM 346 C GLU A 26 -3.680 2.456 -4.065 1.00 0.00 C ATOM 347 O GLU A 26 -3.659 3.682 -4.183 1.00 0.00 O ATOM 348 CB GLU A 26 -5.120 1.271 -5.734 1.00 0.00 C ATOM 349 CG GLU A 26 -6.323 0.384 -6.007 1.00 0.00 C ATOM 350 CD GLU A 26 -6.303 -0.213 -7.400 1.00 0.00 C ATOM 351 OE1 GLU A 26 -5.324 -0.914 -7.731 1.00 0.00 O ATOM 352 OE2 GLU A 26 -7.266 0.021 -8.160 1.00 0.00 O ATOM 0 H GLU A 26 -5.958 3.461 -3.779 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.933 0.772 -3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.198 2.172 -6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.216 0.750 -6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.351 -0.420 -5.272 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.236 0.966 -5.878 1.00 0.00 H new ATOM 359 N LEU A 27 -2.603 1.740 -3.763 1.00 0.00 N ATOM 360 CA LEU A 27 -1.304 2.367 -3.546 1.00 0.00 C ATOM 361 C LEU A 27 -0.352 2.059 -4.698 1.00 0.00 C ATOM 362 O LEU A 27 0.060 0.915 -4.889 1.00 0.00 O ATOM 363 CB LEU A 27 -0.698 1.886 -2.227 1.00 0.00 C ATOM 364 CG LEU A 27 -1.283 2.502 -0.956 1.00 0.00 C ATOM 365 CD1 LEU A 27 -1.013 1.607 0.244 1.00 0.00 C ATOM 366 CD2 LEU A 27 -0.710 3.893 -0.725 1.00 0.00 C ATOM 0 H LEU A 27 -2.603 0.725 -3.663 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.452 3.446 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.815 0.804 -2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.373 2.090 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.362 2.591 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.437 2.062 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.471 0.632 0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.063 1.486 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.138 4.316 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.373 3.828 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.955 4.533 -1.573 1.00 0.00 H new ATOM 378 N LYS A 28 -0.006 3.089 -5.463 1.00 0.00 N ATOM 379 CA LYS A 28 0.900 2.931 -6.595 1.00 0.00 C ATOM 380 C LYS A 28 2.281 2.483 -6.127 1.00 0.00 C ATOM 381 O LYS A 28 3.053 3.277 -5.588 1.00 0.00 O ATOM 382 CB LYS A 28 1.015 4.246 -7.370 1.00 0.00 C ATOM 383 CG LYS A 28 -0.300 4.716 -7.968 1.00 0.00 C ATOM 384 CD LYS A 28 -1.070 5.598 -6.999 1.00 0.00 C ATOM 385 CE LYS A 28 -1.929 6.615 -7.733 1.00 0.00 C ATOM 386 NZ LYS A 28 -1.104 7.645 -8.422 1.00 0.00 N ATOM 0 H LYS A 28 -0.339 4.042 -5.320 1.00 0.00 H new ATOM 0 HA LYS A 28 0.491 2.163 -7.252 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.398 5.019 -6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.745 4.124 -8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.106 5.268 -8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.908 3.852 -8.237 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.702 4.977 -6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.371 6.117 -6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.554 6.102 -8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.600 7.101 -7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.672 8.503 -8.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.276 7.875 -7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.787 7.277 -9.342 1.00 0.00 H new ATOM 400 N CYS A 29 2.587 1.207 -6.339 1.00 0.00 N ATOM 401 CA CYS A 29 3.876 0.654 -5.940 1.00 0.00 C ATOM 402 C CYS A 29 4.247 -0.543 -6.810 1.00 0.00 C ATOM 403 O CYS A 29 3.477 -1.496 -6.933 1.00 0.00 O ATOM 404 CB CYS A 29 3.843 0.239 -4.468 1.00 0.00 C ATOM 405 SG CYS A 29 5.477 0.070 -3.712 1.00 0.00 S ATOM 0 H CYS A 29 1.960 0.537 -6.785 1.00 0.00 H new ATOM 0 HA CYS A 29 4.633 1.427 -6.075 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.269 0.976 -3.907 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.314 -0.710 -4.381 1.00 0.00 H new ATOM 0 HG CYS A 29 5.400 -0.724 -2.686 1.00 0.00 H new ATOM 411 N ARG A 30 5.430 -0.486 -7.413 1.00 0.00 N ATOM 412 CA ARG A 30 5.901 -1.564 -8.274 1.00 0.00 C ATOM 413 C ARG A 30 7.235 -2.113 -7.778 1.00 0.00 C ATOM 414 O ARG A 30 8.129 -1.355 -7.399 1.00 0.00 O ATOM 415 CB ARG A 30 6.045 -1.069 -9.715 1.00 0.00 C ATOM 416 CG ARG A 30 4.755 -0.520 -10.302 1.00 0.00 C ATOM 417 CD ARG A 30 4.818 -0.454 -11.820 1.00 0.00 C ATOM 418 NE ARG A 30 5.796 0.526 -12.284 1.00 0.00 N ATOM 419 CZ ARG A 30 5.740 1.113 -13.475 1.00 0.00 C ATOM 420 NH1 ARG A 30 4.758 0.821 -14.316 1.00 0.00 N ATOM 421 NH2 ARG A 30 6.668 1.995 -13.825 1.00 0.00 N ATOM 0 H ARG A 30 6.080 0.295 -7.321 1.00 0.00 H new ATOM 0 HA ARG A 30 5.164 -2.367 -8.245 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.809 -0.292 -9.749 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.398 -1.890 -10.339 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.919 -1.150 -9.998 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.566 0.476 -9.901 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.074 -1.437 -12.215 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.834 -0.199 -12.213 1.00 0.00 H new ATOM 0 HE ARG A 30 6.564 0.774 -11.660 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.043 0.144 -14.050 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.717 1.273 -15.229 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.425 2.222 -13.180 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.625 2.445 -14.739 1.00 0.00 H new ATOM 435 N THR A 31 7.364 -3.436 -7.782 1.00 0.00 N ATOM 436 CA THR A 31 8.588 -4.086 -7.331 1.00 0.00 C ATOM 437 C THR A 31 9.155 -5.000 -8.411 1.00 0.00 C ATOM 438 O THR A 31 8.429 -5.533 -9.251 1.00 0.00 O ATOM 439 CB THR A 31 8.347 -4.910 -6.052 1.00 0.00 C ATOM 440 OG1 THR A 31 7.233 -5.790 -6.238 1.00 0.00 O ATOM 441 CG2 THR A 31 8.086 -3.998 -4.862 1.00 0.00 C ATOM 0 H THR A 31 6.635 -4.079 -8.093 1.00 0.00 H new ATOM 0 HA THR A 31 9.306 -3.294 -7.115 1.00 0.00 H new ATOM 0 HB THR A 31 9.243 -5.497 -5.851 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.527 -6.718 -6.125 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.919 -4.602 -3.970 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.948 -3.350 -4.704 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.204 -3.388 -5.058 1.00 0.00 H new ATOM 449 N PRO A 32 10.483 -5.188 -8.391 1.00 0.00 N ATOM 450 CA PRO A 32 11.176 -6.040 -9.362 1.00 0.00 C ATOM 451 C PRO A 32 10.865 -7.519 -9.162 1.00 0.00 C ATOM 452 O PRO A 32 10.260 -7.922 -8.169 1.00 0.00 O ATOM 453 CB PRO A 32 12.656 -5.762 -9.084 1.00 0.00 C ATOM 454 CG PRO A 32 12.698 -5.320 -7.661 1.00 0.00 C ATOM 455 CD PRO A 32 11.409 -4.585 -7.418 1.00 0.00 C ATOM 0 HA PRO A 32 10.872 -5.822 -10.386 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.262 -6.654 -9.239 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.046 -4.992 -9.749 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.793 -6.174 -6.990 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.556 -4.674 -7.478 1.00 0.00 H new ATOM 0 HD2 PRO A 32 11.058 -4.717 -6.394 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.521 -3.513 -7.581 1.00 0.00 H new ATOM 463 N PRO A 33 11.289 -8.349 -10.127 1.00 0.00 N ATOM 464 CA PRO A 33 11.067 -9.797 -10.079 1.00 0.00 C ATOM 465 C PRO A 33 11.899 -10.475 -8.995 1.00 0.00 C ATOM 466 O PRO A 33 12.969 -9.991 -8.627 1.00 0.00 O ATOM 467 CB PRO A 33 11.509 -10.270 -11.466 1.00 0.00 C ATOM 468 CG PRO A 33 12.484 -9.242 -11.924 1.00 0.00 C ATOM 469 CD PRO A 33 12.017 -7.938 -11.339 1.00 0.00 C ATOM 0 HA PRO A 33 10.033 -10.043 -9.839 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.968 -11.258 -11.420 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.662 -10.344 -12.148 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.492 -9.482 -11.586 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.516 -9.192 -13.012 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.854 -7.281 -11.102 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.372 -7.395 -12.030 1.00 0.00 H new ATOM 477 N MET A 34 11.400 -11.598 -8.488 1.00 0.00 N ATOM 478 CA MET A 34 12.099 -12.343 -7.447 1.00 0.00 C ATOM 479 C MET A 34 12.240 -11.505 -6.181 1.00 0.00 C ATOM 480 O MET A 34 13.270 -11.548 -5.508 1.00 0.00 O ATOM 481 CB MET A 34 13.480 -12.778 -7.942 1.00 0.00 C ATOM 482 CG MET A 34 13.435 -13.626 -9.202 1.00 0.00 C ATOM 483 SD MET A 34 14.856 -14.725 -9.351 1.00 0.00 S ATOM 484 CE MET A 34 14.365 -15.726 -10.753 1.00 0.00 C ATOM 0 H MET A 34 10.515 -12.012 -8.781 1.00 0.00 H new ATOM 0 HA MET A 34 11.510 -13.229 -7.211 1.00 0.00 H new ATOM 0 HB2 MET A 34 14.085 -11.891 -8.132 1.00 0.00 H new ATOM 0 HB3 MET A 34 13.979 -13.341 -7.153 1.00 0.00 H new ATOM 0 HG2 MET A 34 12.520 -14.219 -9.204 1.00 0.00 H new ATOM 0 HG3 MET A 34 13.393 -12.973 -10.074 1.00 0.00 H new ATOM 0 HE1 MET A 34 15.144 -16.457 -10.969 1.00 0.00 H new ATOM 0 HE2 MET A 34 13.435 -16.245 -10.521 1.00 0.00 H new ATOM 0 HE3 MET A 34 14.216 -15.086 -11.623 1.00 0.00 H new ATOM 494 N SER A 35 11.198 -10.743 -5.861 1.00 0.00 N ATOM 495 CA SER A 35 11.208 -9.892 -4.677 1.00 0.00 C ATOM 496 C SER A 35 9.919 -10.058 -3.878 1.00 0.00 C ATOM 497 O SER A 35 8.838 -10.208 -4.447 1.00 0.00 O ATOM 498 CB SER A 35 11.388 -8.427 -5.078 1.00 0.00 C ATOM 499 OG SER A 35 10.192 -7.897 -5.622 1.00 0.00 O ATOM 0 H SER A 35 10.337 -10.698 -6.405 1.00 0.00 H new ATOM 0 HA SER A 35 12.046 -10.195 -4.049 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.686 -7.842 -4.208 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.192 -8.343 -5.809 1.00 0.00 H new ATOM 0 HG SER A 35 10.254 -7.886 -6.600 1.00 0.00 H new ATOM 505 N SER A 36 10.043 -10.030 -2.555 1.00 0.00 N ATOM 506 CA SER A 36 8.890 -10.180 -1.675 1.00 0.00 C ATOM 507 C SER A 36 8.170 -8.848 -1.489 1.00 0.00 C ATOM 508 O SER A 36 8.795 -7.827 -1.199 1.00 0.00 O ATOM 509 CB SER A 36 9.326 -10.732 -0.317 1.00 0.00 C ATOM 510 OG SER A 36 8.283 -10.621 0.637 1.00 0.00 O ATOM 0 H SER A 36 10.931 -9.905 -2.069 1.00 0.00 H new ATOM 0 HA SER A 36 8.199 -10.884 -2.140 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.617 -11.777 -0.422 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.204 -10.190 0.035 1.00 0.00 H new ATOM 0 HG SER A 36 8.586 -10.982 1.496 1.00 0.00 H new ATOM 516 N VAL A 37 6.852 -8.865 -1.659 1.00 0.00 N ATOM 517 CA VAL A 37 6.046 -7.659 -1.509 1.00 0.00 C ATOM 518 C VAL A 37 5.192 -7.723 -0.248 1.00 0.00 C ATOM 519 O VAL A 37 4.419 -8.662 -0.054 1.00 0.00 O ATOM 520 CB VAL A 37 5.129 -7.442 -2.727 1.00 0.00 C ATOM 521 CG1 VAL A 37 4.225 -6.239 -2.507 1.00 0.00 C ATOM 522 CG2 VAL A 37 5.956 -7.274 -3.993 1.00 0.00 C ATOM 0 H VAL A 37 6.319 -9.701 -1.901 1.00 0.00 H new ATOM 0 HA VAL A 37 6.740 -6.822 -1.432 1.00 0.00 H new ATOM 0 HB VAL A 37 4.498 -8.323 -2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.584 -6.101 -3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.607 -6.405 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.835 -5.348 -2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.292 -7.122 -4.844 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.613 -6.411 -3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.556 -8.169 -4.157 1.00 0.00 H new ATOM 532 N LYS A 38 5.335 -6.717 0.608 1.00 0.00 N ATOM 533 CA LYS A 38 4.575 -6.656 1.851 1.00 0.00 C ATOM 534 C LYS A 38 4.145 -5.225 2.156 1.00 0.00 C ATOM 535 O LYS A 38 4.687 -4.271 1.598 1.00 0.00 O ATOM 536 CB LYS A 38 5.409 -7.207 3.010 1.00 0.00 C ATOM 537 CG LYS A 38 5.580 -8.715 2.974 1.00 0.00 C ATOM 538 CD LYS A 38 5.816 -9.284 4.363 1.00 0.00 C ATOM 539 CE LYS A 38 7.181 -8.885 4.903 1.00 0.00 C ATOM 540 NZ LYS A 38 7.620 -9.775 6.013 1.00 0.00 N ATOM 0 H LYS A 38 5.971 -5.932 0.464 1.00 0.00 H new ATOM 0 HA LYS A 38 3.681 -7.268 1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.393 -6.738 2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.937 -6.926 3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.691 -9.172 2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.419 -8.971 2.328 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.038 -8.930 5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.740 -10.371 4.330 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.915 -8.920 4.098 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.145 -7.855 5.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.554 -9.470 6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.933 -9.722 6.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.679 -10.755 5.670 1.00 0.00 H new ATOM 554 N TRP A 39 3.168 -5.082 3.045 1.00 0.00 N ATOM 555 CA TRP A 39 2.667 -3.766 3.425 1.00 0.00 C ATOM 556 C TRP A 39 2.396 -3.698 4.924 1.00 0.00 C ATOM 557 O TRP A 39 1.779 -4.598 5.495 1.00 0.00 O ATOM 558 CB TRP A 39 1.390 -3.441 2.649 1.00 0.00 C ATOM 559 CG TRP A 39 1.641 -3.080 1.216 1.00 0.00 C ATOM 560 CD1 TRP A 39 1.836 -3.942 0.175 1.00 0.00 C ATOM 561 CD2 TRP A 39 1.727 -1.760 0.667 1.00 0.00 C ATOM 562 NE1 TRP A 39 2.038 -3.238 -0.988 1.00 0.00 N ATOM 563 CE2 TRP A 39 1.975 -1.898 -0.713 1.00 0.00 C ATOM 564 CE3 TRP A 39 1.617 -0.476 1.206 1.00 0.00 C ATOM 565 CZ2 TRP A 39 2.115 -0.800 -1.557 1.00 0.00 C ATOM 566 CZ3 TRP A 39 1.756 0.613 0.367 1.00 0.00 C ATOM 567 CH2 TRP A 39 2.002 0.446 -1.002 1.00 0.00 C ATOM 0 H TRP A 39 2.707 -5.861 3.516 1.00 0.00 H new ATOM 0 HA TRP A 39 3.432 -3.029 3.179 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.721 -4.301 2.688 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.876 -2.615 3.140 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.832 -5.019 0.254 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.207 -3.647 -1.907 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.427 -0.337 2.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.306 -0.927 -2.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.674 1.610 0.774 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.104 1.317 -1.632 1.00 0.00 H new ATOM 578 N LEU A 40 2.861 -2.627 5.557 1.00 0.00 N ATOM 579 CA LEU A 40 2.669 -2.442 6.991 1.00 0.00 C ATOM 580 C LEU A 40 1.556 -1.436 7.266 1.00 0.00 C ATOM 581 O LEU A 40 1.328 -0.516 6.479 1.00 0.00 O ATOM 582 CB LEU A 40 3.970 -1.971 7.644 1.00 0.00 C ATOM 583 CG LEU A 40 4.057 -2.136 9.161 1.00 0.00 C ATOM 584 CD1 LEU A 40 5.505 -2.299 9.598 1.00 0.00 C ATOM 585 CD2 LEU A 40 3.417 -0.948 9.864 1.00 0.00 C ATOM 0 H LEU A 40 3.374 -1.873 5.100 1.00 0.00 H new ATOM 0 HA LEU A 40 2.381 -3.402 7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.798 -2.516 7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.113 -0.917 7.404 1.00 0.00 H new ATOM 0 HG LEU A 40 3.511 -3.037 9.441 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.547 -2.415 10.681 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.932 -3.182 9.121 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.075 -1.417 9.305 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.488 -1.082 10.943 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.935 -0.033 9.577 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.368 -0.876 9.576 1.00 0.00 H new ATOM 597 N LEU A 41 0.867 -1.615 8.387 1.00 0.00 N ATOM 598 CA LEU A 41 -0.221 -0.721 8.768 1.00 0.00 C ATOM 599 C LEU A 41 0.201 0.193 9.914 1.00 0.00 C ATOM 600 O LEU A 41 1.067 -0.143 10.722 1.00 0.00 O ATOM 601 CB LEU A 41 -1.454 -1.531 9.173 1.00 0.00 C ATOM 602 CG LEU A 41 -1.912 -2.599 8.180 1.00 0.00 C ATOM 603 CD1 LEU A 41 -2.029 -2.012 6.782 1.00 0.00 C ATOM 604 CD2 LEU A 41 -0.952 -3.779 8.185 1.00 0.00 C ATOM 0 H LEU A 41 1.042 -2.371 9.049 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.468 -0.101 7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.248 -2.016 10.127 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.280 -0.839 9.338 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.895 -2.955 8.487 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.356 -2.787 6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.756 -1.200 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.059 -1.628 6.466 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.294 -4.529 7.472 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.044 -3.439 7.903 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.918 -4.216 9.183 1.00 0.00 H new ATOM 616 N PRO A 42 -0.427 1.376 9.990 1.00 0.00 N ATOM 617 CA PRO A 42 -0.136 2.361 11.035 1.00 0.00 C ATOM 618 C PRO A 42 -0.616 1.908 12.409 1.00 0.00 C ATOM 619 O PRO A 42 -0.521 2.650 13.386 1.00 0.00 O ATOM 620 CB PRO A 42 -0.910 3.601 10.580 1.00 0.00 C ATOM 621 CG PRO A 42 -2.018 3.067 9.738 1.00 0.00 C ATOM 622 CD PRO A 42 -1.470 1.842 9.061 1.00 0.00 C ATOM 0 HA PRO A 42 0.935 2.529 11.150 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.295 4.162 11.431 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.273 4.279 10.013 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.887 2.820 10.348 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.342 3.806 9.005 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.241 1.087 8.911 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.058 2.076 8.079 1.00 0.00 H new ATOM 630 N ASN A 43 -1.132 0.685 12.477 1.00 0.00 N ATOM 631 CA ASN A 43 -1.628 0.133 13.733 1.00 0.00 C ATOM 632 C ASN A 43 -0.573 -0.750 14.392 1.00 0.00 C ATOM 633 O ASN A 43 -0.382 -0.704 15.607 1.00 0.00 O ATOM 634 CB ASN A 43 -2.906 -0.673 13.491 1.00 0.00 C ATOM 635 CG ASN A 43 -3.067 -1.811 14.479 1.00 0.00 C ATOM 636 OD1 ASN A 43 -3.467 -1.601 15.625 1.00 0.00 O ATOM 637 ND2 ASN A 43 -2.756 -3.025 14.040 1.00 0.00 N ATOM 0 H ASN A 43 -1.218 0.057 11.678 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.852 0.963 14.403 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.769 -0.010 13.560 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.893 -1.074 12.478 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.845 -3.830 14.660 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.428 -3.153 13.082 1.00 0.00 H new ATOM 644 N GLY A 44 0.109 -1.554 13.582 1.00 0.00 N ATOM 645 CA GLY A 44 1.136 -2.436 14.105 1.00 0.00 C ATOM 646 C GLY A 44 1.064 -3.827 13.507 1.00 0.00 C ATOM 647 O GLY A 44 1.242 -4.823 14.209 1.00 0.00 O ATOM 0 H GLY A 44 -0.031 -1.610 12.573 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.117 -2.007 13.902 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.036 -2.504 15.188 1.00 0.00 H new ATOM 651 N THR A 45 0.801 -3.898 12.206 1.00 0.00 N ATOM 652 CA THR A 45 0.703 -5.177 11.514 1.00 0.00 C ATOM 653 C THR A 45 1.231 -5.072 10.087 1.00 0.00 C ATOM 654 O THR A 45 1.484 -3.976 9.587 1.00 0.00 O ATOM 655 CB THR A 45 -0.750 -5.685 11.476 1.00 0.00 C ATOM 656 OG1 THR A 45 -1.349 -5.552 12.770 1.00 0.00 O ATOM 657 CG2 THR A 45 -0.803 -7.140 11.034 1.00 0.00 C ATOM 0 H THR A 45 0.652 -3.084 11.610 1.00 0.00 H new ATOM 0 HA THR A 45 1.313 -5.886 12.073 1.00 0.00 H new ATOM 0 HB THR A 45 -1.304 -5.083 10.756 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.273 -5.876 12.737 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.839 -7.477 11.015 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.373 -7.233 10.037 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.235 -7.754 11.733 1.00 0.00 H new ATOM 665 N VAL A 46 1.393 -6.219 9.436 1.00 0.00 N ATOM 666 CA VAL A 46 1.889 -6.256 8.065 1.00 0.00 C ATOM 667 C VAL A 46 1.255 -7.401 7.283 1.00 0.00 C ATOM 668 O VAL A 46 1.314 -8.559 7.698 1.00 0.00 O ATOM 669 CB VAL A 46 3.421 -6.408 8.026 1.00 0.00 C ATOM 670 CG1 VAL A 46 3.912 -6.504 6.590 1.00 0.00 C ATOM 671 CG2 VAL A 46 4.089 -5.249 8.750 1.00 0.00 C ATOM 0 H VAL A 46 1.188 -7.135 9.835 1.00 0.00 H new ATOM 0 HA VAL A 46 1.614 -5.308 7.603 1.00 0.00 H new ATOM 0 HB VAL A 46 3.690 -7.331 8.539 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.997 -6.611 6.583 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.459 -7.370 6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.633 -5.600 6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.171 -5.372 8.713 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.814 -4.311 8.267 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.761 -5.232 9.789 1.00 0.00 H new ATOM 681 N LEU A 47 0.650 -7.071 6.147 1.00 0.00 N ATOM 682 CA LEU A 47 0.005 -8.072 5.304 1.00 0.00 C ATOM 683 C LEU A 47 0.899 -8.450 4.127 1.00 0.00 C ATOM 684 O LEU A 47 1.732 -7.657 3.688 1.00 0.00 O ATOM 685 CB LEU A 47 -1.337 -7.548 4.792 1.00 0.00 C ATOM 686 CG LEU A 47 -2.472 -7.497 5.816 1.00 0.00 C ATOM 687 CD1 LEU A 47 -3.714 -6.866 5.205 1.00 0.00 C ATOM 688 CD2 LEU A 47 -2.783 -8.892 6.338 1.00 0.00 C ATOM 0 H LEU A 47 0.593 -6.118 5.788 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.167 -8.963 5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.185 -6.543 4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.655 -8.174 3.958 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.151 -6.880 6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.511 -6.838 5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.484 -5.851 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.038 -7.456 4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.593 -8.836 7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.084 -9.532 5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.896 -9.308 6.814 1.00 0.00 H new ATOM 700 N SER A 48 0.718 -9.665 3.620 1.00 0.00 N ATOM 701 CA SER A 48 1.508 -10.149 2.494 1.00 0.00 C ATOM 702 C SER A 48 0.644 -10.955 1.530 1.00 0.00 C ATOM 703 O SER A 48 -0.441 -11.416 1.887 1.00 0.00 O ATOM 704 CB SER A 48 2.672 -11.007 2.993 1.00 0.00 C ATOM 705 OG SER A 48 2.207 -12.092 3.777 1.00 0.00 O ATOM 0 H SER A 48 0.031 -10.332 3.971 1.00 0.00 H new ATOM 0 HA SER A 48 1.905 -9.284 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.239 -11.386 2.143 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.353 -10.394 3.583 1.00 0.00 H new ATOM 0 HG SER A 48 2.970 -12.626 4.082 1.00 0.00 H new ATOM 711 N HIS A 49 1.133 -11.122 0.305 1.00 0.00 N ATOM 712 CA HIS A 49 0.406 -11.873 -0.713 1.00 0.00 C ATOM 713 C HIS A 49 -0.373 -13.025 -0.085 1.00 0.00 C ATOM 714 O HIS A 49 -1.529 -13.266 -0.429 1.00 0.00 O ATOM 715 CB HIS A 49 1.373 -12.411 -1.768 1.00 0.00 C ATOM 716 CG HIS A 49 0.691 -12.942 -2.991 1.00 0.00 C ATOM 717 ND1 HIS A 49 0.108 -12.129 -3.940 1.00 0.00 N ATOM 718 CD2 HIS A 49 0.501 -14.212 -3.418 1.00 0.00 C ATOM 719 CE1 HIS A 49 -0.412 -12.876 -4.898 1.00 0.00 C ATOM 720 NE2 HIS A 49 -0.187 -14.144 -4.605 1.00 0.00 N ATOM 0 H HIS A 49 2.029 -10.748 -0.007 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.302 -11.197 -1.192 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.058 -11.615 -2.061 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.976 -13.204 -1.325 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.829 -15.112 -2.919 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.932 -12.512 -5.772 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.477 -14.943 -5.169 1.00 0.00 H new ATOM 729 N ALA A 50 0.270 -13.734 0.837 1.00 0.00 N ATOM 730 CA ALA A 50 -0.362 -14.860 1.514 1.00 0.00 C ATOM 731 C ALA A 50 -1.654 -14.432 2.202 1.00 0.00 C ATOM 732 O ALA A 50 -2.700 -15.055 2.024 1.00 0.00 O ATOM 733 CB ALA A 50 0.596 -15.476 2.522 1.00 0.00 C ATOM 0 H ALA A 50 1.229 -13.549 1.132 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.612 -15.609 0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.110 -16.315 3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.490 -15.827 2.007 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.875 -14.727 3.263 1.00 0.00 H new ATOM 739 N SER A 51 -1.573 -13.364 2.990 1.00 0.00 N ATOM 740 CA SER A 51 -2.735 -12.855 3.709 1.00 0.00 C ATOM 741 C SER A 51 -4.004 -13.021 2.878 1.00 0.00 C ATOM 742 O SER A 51 -3.960 -13.003 1.648 1.00 0.00 O ATOM 743 CB SER A 51 -2.535 -11.380 4.065 1.00 0.00 C ATOM 744 OG SER A 51 -2.721 -10.552 2.931 1.00 0.00 O ATOM 0 H SER A 51 -0.715 -12.835 3.146 1.00 0.00 H new ATOM 0 HA SER A 51 -2.844 -13.432 4.627 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.237 -11.093 4.848 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.532 -11.232 4.467 1.00 0.00 H new ATOM 0 HG SER A 51 -1.960 -10.655 2.322 1.00 0.00 H new ATOM 750 N ARG A 52 -5.133 -13.184 3.560 1.00 0.00 N ATOM 751 CA ARG A 52 -6.414 -13.355 2.886 1.00 0.00 C ATOM 752 C ARG A 52 -7.340 -12.175 3.171 1.00 0.00 C ATOM 753 O ARG A 52 -8.559 -12.284 3.039 1.00 0.00 O ATOM 754 CB ARG A 52 -7.080 -14.658 3.333 1.00 0.00 C ATOM 755 CG ARG A 52 -8.101 -15.192 2.342 1.00 0.00 C ATOM 756 CD ARG A 52 -8.808 -16.425 2.881 1.00 0.00 C ATOM 757 NE ARG A 52 -9.983 -16.079 3.675 1.00 0.00 N ATOM 758 CZ ARG A 52 -11.104 -15.592 3.155 1.00 0.00 C ATOM 759 NH1 ARG A 52 -11.202 -15.395 1.848 1.00 0.00 N ATOM 760 NH2 ARG A 52 -12.131 -15.301 3.944 1.00 0.00 N ATOM 0 H ARG A 52 -5.186 -13.201 4.578 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.228 -13.399 1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.310 -15.414 3.491 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.569 -14.495 4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.835 -14.417 2.122 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.605 -15.437 1.403 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.107 -17.063 2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.114 -17.002 3.493 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.941 -16.219 4.684 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.415 -15.618 1.238 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.064 -15.021 1.452 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.060 -15.451 4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.992 -14.927 3.544 1.00 0.00 H new ATOM 774 N HIS A 53 -6.752 -11.049 3.561 1.00 0.00 N ATOM 775 CA HIS A 53 -7.523 -9.849 3.864 1.00 0.00 C ATOM 776 C HIS A 53 -8.396 -9.450 2.678 1.00 0.00 C ATOM 777 O HIS A 53 -7.938 -9.377 1.537 1.00 0.00 O ATOM 778 CB HIS A 53 -6.589 -8.697 4.235 1.00 0.00 C ATOM 779 CG HIS A 53 -7.214 -7.691 5.152 1.00 0.00 C ATOM 780 ND1 HIS A 53 -8.211 -6.826 4.753 1.00 0.00 N ATOM 781 CD2 HIS A 53 -6.979 -7.416 6.456 1.00 0.00 C ATOM 782 CE1 HIS A 53 -8.562 -6.061 5.772 1.00 0.00 C ATOM 783 NE2 HIS A 53 -7.829 -6.399 6.818 1.00 0.00 N ATOM 0 H HIS A 53 -5.744 -10.942 3.675 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.171 -10.068 4.712 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.695 -9.103 4.709 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.266 -8.194 3.324 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.257 -7.905 7.094 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.319 -5.291 5.753 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.885 -5.974 7.744 1.00 0.00 H new ATOM 792 N PRO A 54 -9.682 -9.187 2.950 1.00 0.00 N ATOM 793 CA PRO A 54 -10.645 -8.792 1.918 1.00 0.00 C ATOM 794 C PRO A 54 -10.372 -7.393 1.376 1.00 0.00 C ATOM 795 O PRO A 54 -10.288 -7.192 0.164 1.00 0.00 O ATOM 796 CB PRO A 54 -11.987 -8.827 2.653 1.00 0.00 C ATOM 797 CG PRO A 54 -11.641 -8.613 4.086 1.00 0.00 C ATOM 798 CD PRO A 54 -10.296 -9.254 4.287 1.00 0.00 C ATOM 0 HA PRO A 54 -10.602 -9.448 1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.659 -8.050 2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.494 -9.781 2.506 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.606 -7.550 4.325 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.389 -9.062 4.739 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.703 -8.719 5.029 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.389 -10.283 4.635 1.00 0.00 H new ATOM 806 N ARG A 55 -10.235 -6.429 2.280 1.00 0.00 N ATOM 807 CA ARG A 55 -9.972 -5.048 1.892 1.00 0.00 C ATOM 808 C ARG A 55 -8.534 -4.884 1.409 1.00 0.00 C ATOM 809 O ARG A 55 -8.291 -4.609 0.234 1.00 0.00 O ATOM 810 CB ARG A 55 -10.238 -4.106 3.067 1.00 0.00 C ATOM 811 CG ARG A 55 -11.715 -3.861 3.330 1.00 0.00 C ATOM 812 CD ARG A 55 -11.922 -2.858 4.454 1.00 0.00 C ATOM 813 NE ARG A 55 -10.976 -3.059 5.548 1.00 0.00 N ATOM 814 CZ ARG A 55 -9.771 -2.502 5.590 1.00 0.00 C ATOM 815 NH1 ARG A 55 -9.367 -1.714 4.604 1.00 0.00 N ATOM 816 NH2 ARG A 55 -8.967 -2.734 6.620 1.00 0.00 N ATOM 0 H ARG A 55 -10.302 -6.579 3.287 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.644 -4.793 1.072 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.782 -4.522 3.965 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.749 -3.151 2.874 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.191 -3.494 2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.201 -4.802 3.587 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.813 -1.847 4.062 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.940 -2.945 4.834 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.256 -3.660 6.323 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.982 -1.534 3.810 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.441 -1.287 4.639 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.274 -3.341 7.380 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.042 -2.306 6.651 1.00 0.00 H new ATOM 830 N ILE A 56 -7.585 -5.053 2.324 1.00 0.00 N ATOM 831 CA ILE A 56 -6.172 -4.924 1.991 1.00 0.00 C ATOM 832 C ILE A 56 -5.701 -6.091 1.130 1.00 0.00 C ATOM 833 O ILE A 56 -5.342 -7.150 1.644 1.00 0.00 O ATOM 834 CB ILE A 56 -5.300 -4.851 3.258 1.00 0.00 C ATOM 835 CG1 ILE A 56 -5.867 -3.819 4.235 1.00 0.00 C ATOM 836 CG2 ILE A 56 -3.863 -4.508 2.893 1.00 0.00 C ATOM 837 CD1 ILE A 56 -5.075 -3.704 5.519 1.00 0.00 C ATOM 0 H ILE A 56 -7.769 -5.279 3.301 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.063 -3.995 1.431 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.308 -5.827 3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.895 -2.845 3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.896 -4.085 4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.259 -4.460 3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.463 -5.275 2.230 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.836 -3.543 2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.534 -2.954 6.164 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.068 -4.667 6.030 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.051 -3.408 5.290 1.00 0.00 H new ATOM 849 N SER A 57 -5.704 -5.889 -0.184 1.00 0.00 N ATOM 850 CA SER A 57 -5.279 -6.926 -1.117 1.00 0.00 C ATOM 851 C SER A 57 -3.973 -6.536 -1.804 1.00 0.00 C ATOM 852 O SER A 57 -3.850 -5.441 -2.353 1.00 0.00 O ATOM 853 CB SER A 57 -6.365 -7.174 -2.166 1.00 0.00 C ATOM 854 OG SER A 57 -7.558 -7.646 -1.563 1.00 0.00 O ATOM 0 H SER A 57 -5.996 -5.017 -0.626 1.00 0.00 H new ATOM 0 HA SER A 57 -5.113 -7.843 -0.552 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.569 -6.251 -2.709 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.010 -7.901 -2.896 1.00 0.00 H new ATOM 0 HG SER A 57 -8.237 -7.795 -2.254 1.00 0.00 H new ATOM 860 N VAL A 58 -3.000 -7.441 -1.768 1.00 0.00 N ATOM 861 CA VAL A 58 -1.703 -7.194 -2.387 1.00 0.00 C ATOM 862 C VAL A 58 -1.640 -7.793 -3.787 1.00 0.00 C ATOM 863 O VAL A 58 -1.318 -8.970 -3.957 1.00 0.00 O ATOM 864 CB VAL A 58 -0.557 -7.776 -1.539 1.00 0.00 C ATOM 865 CG1 VAL A 58 0.787 -7.493 -2.192 1.00 0.00 C ATOM 866 CG2 VAL A 58 -0.601 -7.214 -0.126 1.00 0.00 C ATOM 0 H VAL A 58 -3.085 -8.352 -1.317 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.584 -6.113 -2.452 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.685 -8.857 -1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.585 -7.912 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.814 -7.948 -3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.927 -6.416 -2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.216 -7.636 0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.499 -6.129 -0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.552 -7.473 0.339 1.00 0.00 H new ATOM 876 N LEU A 59 -1.948 -6.977 -4.789 1.00 0.00 N ATOM 877 CA LEU A 59 -1.926 -7.425 -6.177 1.00 0.00 C ATOM 878 C LEU A 59 -0.552 -7.974 -6.549 1.00 0.00 C ATOM 879 O LEU A 59 0.454 -7.625 -5.934 1.00 0.00 O ATOM 880 CB LEU A 59 -2.298 -6.274 -7.112 1.00 0.00 C ATOM 881 CG LEU A 59 -3.634 -5.584 -6.829 1.00 0.00 C ATOM 882 CD1 LEU A 59 -3.979 -4.610 -7.944 1.00 0.00 C ATOM 883 CD2 LEU A 59 -4.740 -6.615 -6.657 1.00 0.00 C ATOM 0 H LEU A 59 -2.216 -6.001 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.659 -8.224 -6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.508 -5.525 -7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.317 -6.654 -8.133 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.541 -5.021 -5.900 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.932 -4.129 -7.725 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.199 -3.852 -8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.053 -5.149 -8.888 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.683 -6.107 -6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.832 -7.205 -7.569 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.498 -7.273 -5.822 1.00 0.00 H new ATOM 895 N ASN A 60 -0.519 -8.833 -7.563 1.00 0.00 N ATOM 896 CA ASN A 60 0.732 -9.429 -8.019 1.00 0.00 C ATOM 897 C ASN A 60 1.799 -8.359 -8.229 1.00 0.00 C ATOM 898 O ASN A 60 2.832 -8.359 -7.560 1.00 0.00 O ATOM 899 CB ASN A 60 0.507 -10.204 -9.319 1.00 0.00 C ATOM 900 CG ASN A 60 0.081 -11.638 -9.071 1.00 0.00 C ATOM 901 OD1 ASN A 60 0.800 -12.578 -9.410 1.00 0.00 O ATOM 902 ND2 ASN A 60 -1.094 -11.812 -8.477 1.00 0.00 N ATOM 0 H ASN A 60 -1.343 -9.132 -8.084 1.00 0.00 H new ATOM 0 HA ASN A 60 1.080 -10.118 -7.249 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.255 -9.699 -9.913 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.425 -10.197 -9.906 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.434 -12.754 -8.284 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.657 -11.003 -8.213 1.00 0.00 H new ATOM 909 N ASP A 61 1.541 -7.450 -9.162 1.00 0.00 N ATOM 910 CA ASP A 61 2.478 -6.373 -9.460 1.00 0.00 C ATOM 911 C ASP A 61 3.097 -5.821 -8.180 1.00 0.00 C ATOM 912 O ASP A 61 4.299 -5.568 -8.118 1.00 0.00 O ATOM 913 CB ASP A 61 1.773 -5.251 -10.224 1.00 0.00 C ATOM 914 CG ASP A 61 1.158 -5.733 -11.523 1.00 0.00 C ATOM 915 OD1 ASP A 61 1.866 -6.407 -12.301 1.00 0.00 O ATOM 916 OD2 ASP A 61 -0.032 -5.437 -11.763 1.00 0.00 O ATOM 0 H ASP A 61 0.691 -7.437 -9.725 1.00 0.00 H new ATOM 0 HA ASP A 61 3.275 -6.781 -10.082 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.994 -4.820 -9.595 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.487 -4.456 -10.437 1.00 0.00 H new ATOM 921 N GLY A 62 2.266 -5.636 -7.158 1.00 0.00 N ATOM 922 CA GLY A 62 2.750 -5.115 -5.893 1.00 0.00 C ATOM 923 C GLY A 62 1.990 -3.883 -5.445 1.00 0.00 C ATOM 924 O GLY A 62 2.574 -2.947 -4.897 1.00 0.00 O ATOM 0 H GLY A 62 1.266 -5.838 -7.184 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.666 -5.888 -5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.809 -4.872 -5.985 1.00 0.00 H new ATOM 928 N THR A 63 0.681 -3.879 -5.680 1.00 0.00 N ATOM 929 CA THR A 63 -0.160 -2.751 -5.299 1.00 0.00 C ATOM 930 C THR A 63 -1.110 -3.130 -4.169 1.00 0.00 C ATOM 931 O THR A 63 -1.595 -4.260 -4.105 1.00 0.00 O ATOM 932 CB THR A 63 -0.983 -2.236 -6.495 1.00 0.00 C ATOM 933 OG1 THR A 63 -0.108 -1.773 -7.530 1.00 0.00 O ATOM 934 CG2 THR A 63 -1.911 -1.109 -6.068 1.00 0.00 C ATOM 0 H THR A 63 0.181 -4.644 -6.132 1.00 0.00 H new ATOM 0 HA THR A 63 0.508 -1.960 -4.958 1.00 0.00 H new ATOM 0 HB THR A 63 -1.588 -3.061 -6.873 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.639 -1.449 -8.287 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.482 -0.762 -6.929 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.596 -1.472 -5.301 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.322 -0.285 -5.667 1.00 0.00 H new ATOM 942 N LEU A 64 -1.372 -2.179 -3.279 1.00 0.00 N ATOM 943 CA LEU A 64 -2.265 -2.413 -2.150 1.00 0.00 C ATOM 944 C LEU A 64 -3.657 -1.856 -2.432 1.00 0.00 C ATOM 945 O LEU A 64 -3.879 -0.648 -2.362 1.00 0.00 O ATOM 946 CB LEU A 64 -1.695 -1.774 -0.882 1.00 0.00 C ATOM 947 CG LEU A 64 -2.118 -2.414 0.441 1.00 0.00 C ATOM 948 CD1 LEU A 64 -1.666 -3.865 0.500 1.00 0.00 C ATOM 949 CD2 LEU A 64 -1.555 -1.629 1.617 1.00 0.00 C ATOM 0 H LEU A 64 -0.979 -1.239 -3.318 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.348 -3.490 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.607 -1.800 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.988 -0.724 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.206 -2.391 0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.976 -4.304 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.118 -4.420 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.580 -3.912 0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.866 -2.099 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.467 -1.620 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.929 -0.606 1.584 1.00 0.00 H new ATOM 961 N ASN A 65 -4.591 -2.746 -2.750 1.00 0.00 N ATOM 962 CA ASN A 65 -5.963 -2.343 -3.041 1.00 0.00 C ATOM 963 C ASN A 65 -6.814 -2.358 -1.775 1.00 0.00 C ATOM 964 O ASN A 65 -6.692 -3.256 -0.942 1.00 0.00 O ATOM 965 CB ASN A 65 -6.576 -3.270 -4.092 1.00 0.00 C ATOM 966 CG ASN A 65 -7.996 -2.878 -4.451 1.00 0.00 C ATOM 967 OD1 ASN A 65 -8.915 -3.025 -3.645 1.00 0.00 O ATOM 968 ND2 ASN A 65 -8.182 -2.375 -5.666 1.00 0.00 N ATOM 0 H ASN A 65 -4.424 -3.750 -2.813 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.942 -1.326 -3.431 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.959 -3.254 -4.991 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.568 -4.294 -3.718 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.116 -2.093 -5.964 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.391 -2.271 -6.301 1.00 0.00 H new ATOM 975 N PHE A 66 -7.678 -1.357 -1.638 1.00 0.00 N ATOM 976 CA PHE A 66 -8.550 -1.254 -0.474 1.00 0.00 C ATOM 977 C PHE A 66 -10.018 -1.269 -0.891 1.00 0.00 C ATOM 978 O PHE A 66 -10.553 -0.263 -1.355 1.00 0.00 O ATOM 979 CB PHE A 66 -8.244 0.025 0.308 1.00 0.00 C ATOM 980 CG PHE A 66 -6.912 -0.001 1.002 1.00 0.00 C ATOM 981 CD1 PHE A 66 -5.736 0.121 0.279 1.00 0.00 C ATOM 982 CD2 PHE A 66 -6.836 -0.148 2.378 1.00 0.00 C ATOM 983 CE1 PHE A 66 -4.509 0.097 0.915 1.00 0.00 C ATOM 984 CE2 PHE A 66 -5.612 -0.172 3.019 1.00 0.00 C ATOM 985 CZ PHE A 66 -4.447 -0.050 2.287 1.00 0.00 C ATOM 0 H PHE A 66 -7.793 -0.606 -2.319 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.363 -2.116 0.166 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.273 0.874 -0.375 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.028 0.185 1.049 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.779 0.236 -0.794 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.743 -0.245 2.956 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.600 0.193 0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.566 -0.286 4.092 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.490 -0.070 2.786 1.00 0.00 H new ATOM 995 N SER A 67 -10.663 -2.419 -0.722 1.00 0.00 N ATOM 996 CA SER A 67 -12.067 -2.568 -1.085 1.00 0.00 C ATOM 997 C SER A 67 -12.879 -1.363 -0.621 1.00 0.00 C ATOM 998 O SER A 67 -13.574 -0.726 -1.413 1.00 0.00 O ATOM 999 CB SER A 67 -12.640 -3.849 -0.475 1.00 0.00 C ATOM 1000 OG SER A 67 -13.773 -4.296 -1.199 1.00 0.00 O ATOM 0 H SER A 67 -10.235 -3.261 -0.336 1.00 0.00 H new ATOM 0 HA SER A 67 -12.131 -2.631 -2.171 1.00 0.00 H new ATOM 0 HB2 SER A 67 -11.877 -4.627 -0.472 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.916 -3.669 0.564 1.00 0.00 H new ATOM 0 HG SER A 67 -14.119 -5.117 -0.790 1.00 0.00 H new ATOM 1006 N HIS A 68 -12.785 -1.055 0.669 1.00 0.00 N ATOM 1007 CA HIS A 68 -13.510 0.075 1.240 1.00 0.00 C ATOM 1008 C HIS A 68 -12.791 0.614 2.472 1.00 0.00 C ATOM 1009 O HIS A 68 -12.830 0.007 3.542 1.00 0.00 O ATOM 1010 CB HIS A 68 -14.935 -0.340 1.607 1.00 0.00 C ATOM 1011 CG HIS A 68 -14.997 -1.393 2.670 1.00 0.00 C ATOM 1012 ND1 HIS A 68 -14.734 -2.725 2.427 1.00 0.00 N ATOM 1013 CD2 HIS A 68 -15.293 -1.305 3.988 1.00 0.00 C ATOM 1014 CE1 HIS A 68 -14.867 -3.410 3.548 1.00 0.00 C ATOM 1015 NE2 HIS A 68 -15.206 -2.571 4.511 1.00 0.00 N ATOM 0 H HIS A 68 -12.214 -1.572 1.338 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.552 0.865 0.491 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.485 0.538 1.945 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.439 -0.707 0.713 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -15.550 -0.406 4.528 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -14.723 -4.475 3.659 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.375 -2.823 5.485 1.00 0.00 H new ATOM 1024 N VAL A 69 -12.133 1.759 2.314 1.00 0.00 N ATOM 1025 CA VAL A 69 -11.405 2.380 3.414 1.00 0.00 C ATOM 1026 C VAL A 69 -12.360 2.877 4.494 1.00 0.00 C ATOM 1027 O VAL A 69 -13.513 3.209 4.214 1.00 0.00 O ATOM 1028 CB VAL A 69 -10.546 3.560 2.922 1.00 0.00 C ATOM 1029 CG1 VAL A 69 -9.429 3.066 2.016 1.00 0.00 C ATOM 1030 CG2 VAL A 69 -11.410 4.587 2.206 1.00 0.00 C ATOM 0 H VAL A 69 -12.090 2.275 1.435 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.752 1.615 3.834 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.093 4.042 3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.833 3.914 1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.794 2.372 2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.859 2.558 1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.786 5.413 1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.894 4.120 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.170 4.964 2.891 1.00 0.00 H new ATOM 1040 N LEU A 70 -11.873 2.926 5.729 1.00 0.00 N ATOM 1041 CA LEU A 70 -12.683 3.384 6.853 1.00 0.00 C ATOM 1042 C LEU A 70 -11.992 4.524 7.594 1.00 0.00 C ATOM 1043 O LEU A 70 -10.776 4.693 7.498 1.00 0.00 O ATOM 1044 CB LEU A 70 -12.955 2.226 7.815 1.00 0.00 C ATOM 1045 CG LEU A 70 -13.371 0.902 7.172 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -13.002 -0.267 8.072 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -14.863 0.899 6.874 1.00 0.00 C ATOM 0 H LEU A 70 -10.922 2.654 5.978 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.630 3.753 6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.056 2.053 8.407 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.739 2.532 8.508 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.833 0.792 6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.305 -1.201 7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.924 -0.276 8.234 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.512 -0.164 9.030 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.141 -0.051 6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.420 1.032 7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.099 1.714 6.190 1.00 0.00 H new ATOM 1059 N LEU A 71 -12.775 5.302 8.333 1.00 0.00 N ATOM 1060 CA LEU A 71 -12.238 6.425 9.094 1.00 0.00 C ATOM 1061 C LEU A 71 -11.124 5.967 10.029 1.00 0.00 C ATOM 1062 O LEU A 71 -10.265 6.757 10.422 1.00 0.00 O ATOM 1063 CB LEU A 71 -13.350 7.099 9.899 1.00 0.00 C ATOM 1064 CG LEU A 71 -14.373 7.900 9.091 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -15.475 8.426 9.997 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -13.693 9.045 8.355 1.00 0.00 C ATOM 0 H LEU A 71 -13.783 5.176 8.422 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.822 7.144 8.388 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.882 6.331 10.460 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.890 7.766 10.628 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.824 7.237 8.353 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.193 8.993 9.405 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.981 7.589 10.478 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.041 9.074 10.759 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.436 9.604 7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.215 9.708 9.076 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.941 8.645 7.675 1.00 0.00 H new ATOM 1078 N SER A 72 -11.142 4.685 10.380 1.00 0.00 N ATOM 1079 CA SER A 72 -10.134 4.122 11.271 1.00 0.00 C ATOM 1080 C SER A 72 -8.894 3.700 10.489 1.00 0.00 C ATOM 1081 O SER A 72 -7.825 3.492 11.065 1.00 0.00 O ATOM 1082 CB SER A 72 -10.706 2.922 12.029 1.00 0.00 C ATOM 1083 OG SER A 72 -11.722 3.325 12.930 1.00 0.00 O ATOM 0 H SER A 72 -11.843 4.017 10.061 1.00 0.00 H new ATOM 0 HA SER A 72 -9.846 4.892 11.987 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.110 2.199 11.320 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.908 2.420 12.576 1.00 0.00 H new ATOM 0 HG SER A 72 -12.072 2.540 13.401 1.00 0.00 H new ATOM 1089 N ASP A 73 -9.044 3.575 9.175 1.00 0.00 N ATOM 1090 CA ASP A 73 -7.937 3.179 8.313 1.00 0.00 C ATOM 1091 C ASP A 73 -7.001 4.356 8.056 1.00 0.00 C ATOM 1092 O ASP A 73 -5.847 4.172 7.665 1.00 0.00 O ATOM 1093 CB ASP A 73 -8.466 2.633 6.986 1.00 0.00 C ATOM 1094 CG ASP A 73 -8.963 1.206 7.105 1.00 0.00 C ATOM 1095 OD1 ASP A 73 -8.124 0.297 7.280 1.00 0.00 O ATOM 1096 OD2 ASP A 73 -10.192 0.997 7.023 1.00 0.00 O ATOM 0 H ASP A 73 -9.922 3.742 8.683 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.375 2.395 8.821 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.277 3.269 6.632 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.676 2.678 6.237 1.00 0.00 H new ATOM 1101 N THR A 74 -7.505 5.566 8.277 1.00 0.00 N ATOM 1102 CA THR A 74 -6.715 6.773 8.067 1.00 0.00 C ATOM 1103 C THR A 74 -5.392 6.702 8.821 1.00 0.00 C ATOM 1104 O THR A 74 -5.363 6.415 10.017 1.00 0.00 O ATOM 1105 CB THR A 74 -7.482 8.031 8.516 1.00 0.00 C ATOM 1106 OG1 THR A 74 -8.686 8.169 7.752 1.00 0.00 O ATOM 1107 CG2 THR A 74 -6.624 9.276 8.348 1.00 0.00 C ATOM 0 H THR A 74 -8.457 5.736 8.601 1.00 0.00 H new ATOM 0 HA THR A 74 -6.517 6.840 6.997 1.00 0.00 H new ATOM 0 HB THR A 74 -7.732 7.920 9.571 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.169 8.970 8.044 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.186 10.152 8.671 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.722 9.181 8.952 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.348 9.389 7.300 1.00 0.00 H new ATOM 1115 N GLY A 75 -4.298 6.968 8.114 1.00 0.00 N ATOM 1116 CA GLY A 75 -2.986 6.929 8.734 1.00 0.00 C ATOM 1117 C GLY A 75 -1.864 6.928 7.716 1.00 0.00 C ATOM 1118 O GLY A 75 -1.905 7.671 6.735 1.00 0.00 O ATOM 0 H GLY A 75 -4.297 7.210 7.123 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.873 7.790 9.393 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.908 6.038 9.357 1.00 0.00 H new ATOM 1122 N VAL A 76 -0.856 6.094 7.949 1.00 0.00 N ATOM 1123 CA VAL A 76 0.284 5.999 7.045 1.00 0.00 C ATOM 1124 C VAL A 76 0.638 4.545 6.757 1.00 0.00 C ATOM 1125 O VAL A 76 0.774 3.734 7.674 1.00 0.00 O ATOM 1126 CB VAL A 76 1.520 6.712 7.624 1.00 0.00 C ATOM 1127 CG1 VAL A 76 2.754 6.404 6.790 1.00 0.00 C ATOM 1128 CG2 VAL A 76 1.282 8.212 7.703 1.00 0.00 C ATOM 0 H VAL A 76 -0.806 5.474 8.757 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.007 6.489 6.116 1.00 0.00 H new ATOM 0 HB VAL A 76 1.691 6.340 8.634 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.617 6.917 7.214 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.934 5.329 6.790 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.596 6.745 5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.166 8.699 8.114 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.084 8.602 6.705 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.425 8.411 8.347 1.00 0.00 H new ATOM 1138 N TYR A 77 0.787 4.220 5.477 1.00 0.00 N ATOM 1139 CA TYR A 77 1.124 2.862 5.067 1.00 0.00 C ATOM 1140 C TYR A 77 2.535 2.802 4.490 1.00 0.00 C ATOM 1141 O TYR A 77 2.943 3.674 3.723 1.00 0.00 O ATOM 1142 CB TYR A 77 0.116 2.354 4.035 1.00 0.00 C ATOM 1143 CG TYR A 77 -1.294 2.243 4.569 1.00 0.00 C ATOM 1144 CD1 TYR A 77 -2.029 3.379 4.887 1.00 0.00 C ATOM 1145 CD2 TYR A 77 -1.892 1.003 4.755 1.00 0.00 C ATOM 1146 CE1 TYR A 77 -3.317 3.282 5.376 1.00 0.00 C ATOM 1147 CE2 TYR A 77 -3.181 0.897 5.242 1.00 0.00 C ATOM 1148 CZ TYR A 77 -3.889 2.039 5.552 1.00 0.00 C ATOM 1149 OH TYR A 77 -5.173 1.939 6.037 1.00 0.00 O ATOM 0 H TYR A 77 0.680 4.879 4.706 1.00 0.00 H new ATOM 0 HA TYR A 77 1.084 2.222 5.949 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.118 3.025 3.176 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.438 1.376 3.676 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.585 4.354 4.749 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.340 0.106 4.515 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.874 4.175 5.619 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.631 -0.075 5.379 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.374 2.720 6.593 1.00 0.00 H new ATOM 1159 N THR A 78 3.276 1.763 4.864 1.00 0.00 N ATOM 1160 CA THR A 78 4.641 1.587 4.385 1.00 0.00 C ATOM 1161 C THR A 78 4.810 0.241 3.690 1.00 0.00 C ATOM 1162 O THR A 78 4.502 -0.806 4.261 1.00 0.00 O ATOM 1163 CB THR A 78 5.658 1.688 5.537 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.464 2.912 6.256 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.083 1.626 5.008 1.00 0.00 C ATOM 0 H THR A 78 2.953 1.031 5.497 1.00 0.00 H new ATOM 0 HA THR A 78 4.831 2.388 3.671 1.00 0.00 H new ATOM 0 HB THR A 78 5.499 0.844 6.208 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.113 2.968 6.988 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.783 1.699 5.840 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.237 0.681 4.486 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.251 2.453 4.318 1.00 0.00 H new ATOM 1173 N CYS A 79 5.302 0.275 2.457 1.00 0.00 N ATOM 1174 CA CYS A 79 5.512 -0.944 1.683 1.00 0.00 C ATOM 1175 C CYS A 79 6.955 -1.423 1.806 1.00 0.00 C ATOM 1176 O CYS A 79 7.894 -0.646 1.640 1.00 0.00 O ATOM 1177 CB CYS A 79 5.164 -0.706 0.213 1.00 0.00 C ATOM 1178 SG CYS A 79 5.210 -2.198 -0.807 1.00 0.00 S ATOM 0 H CYS A 79 5.563 1.133 1.971 1.00 0.00 H new ATOM 0 HA CYS A 79 4.856 -1.717 2.083 1.00 0.00 H new ATOM 0 HB2 CYS A 79 4.168 -0.268 0.153 1.00 0.00 H new ATOM 0 HB3 CYS A 79 5.859 0.025 -0.200 1.00 0.00 H new ATOM 0 HG CYS A 79 3.997 -2.551 -1.114 1.00 0.00 H new ATOM 1184 N MET A 80 7.123 -2.709 2.098 1.00 0.00 N ATOM 1185 CA MET A 80 8.451 -3.292 2.243 1.00 0.00 C ATOM 1186 C MET A 80 8.885 -3.985 0.955 1.00 0.00 C ATOM 1187 O MET A 80 8.061 -4.550 0.235 1.00 0.00 O ATOM 1188 CB MET A 80 8.470 -4.289 3.404 1.00 0.00 C ATOM 1189 CG MET A 80 7.988 -3.699 4.719 1.00 0.00 C ATOM 1190 SD MET A 80 8.296 -4.788 6.123 1.00 0.00 S ATOM 1191 CE MET A 80 6.900 -4.391 7.172 1.00 0.00 C ATOM 0 H MET A 80 6.356 -3.366 2.239 1.00 0.00 H new ATOM 0 HA MET A 80 9.153 -2.485 2.455 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.845 -5.144 3.148 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.485 -4.664 3.534 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.486 -2.744 4.889 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.920 -3.494 4.651 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.987 -4.933 8.114 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.887 -3.319 7.370 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.975 -4.679 6.672 1.00 0.00 H new ATOM 1201 N VAL A 81 10.182 -3.938 0.671 1.00 0.00 N ATOM 1202 CA VAL A 81 10.725 -4.561 -0.530 1.00 0.00 C ATOM 1203 C VAL A 81 12.011 -5.320 -0.222 1.00 0.00 C ATOM 1204 O VAL A 81 13.023 -4.724 0.150 1.00 0.00 O ATOM 1205 CB VAL A 81 11.008 -3.517 -1.626 1.00 0.00 C ATOM 1206 CG1 VAL A 81 11.459 -4.198 -2.909 1.00 0.00 C ATOM 1207 CG2 VAL A 81 9.777 -2.658 -1.873 1.00 0.00 C ATOM 0 H VAL A 81 10.877 -3.475 1.257 1.00 0.00 H new ATOM 0 HA VAL A 81 9.971 -5.260 -0.892 1.00 0.00 H new ATOM 0 HB VAL A 81 11.814 -2.867 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.654 -3.444 -3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.370 -4.766 -2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.677 -4.872 -3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.994 -1.926 -2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.949 -3.291 -2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.504 -2.141 -0.953 1.00 0.00 H new ATOM 1217 N THR A 82 11.966 -6.639 -0.380 1.00 0.00 N ATOM 1218 CA THR A 82 13.127 -7.480 -0.118 1.00 0.00 C ATOM 1219 C THR A 82 13.647 -8.114 -1.403 1.00 0.00 C ATOM 1220 O THR A 82 12.909 -8.795 -2.114 1.00 0.00 O ATOM 1221 CB THR A 82 12.798 -8.594 0.894 1.00 0.00 C ATOM 1222 OG1 THR A 82 12.103 -8.044 2.018 1.00 0.00 O ATOM 1223 CG2 THR A 82 14.066 -9.289 1.365 1.00 0.00 C ATOM 0 H THR A 82 11.138 -7.148 -0.688 1.00 0.00 H new ATOM 0 HA THR A 82 13.897 -6.833 0.303 1.00 0.00 H new ATOM 0 HB THR A 82 12.163 -9.329 0.399 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.896 -8.758 2.656 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.808 -10.071 2.079 1.00 0.00 H new ATOM 0 HG22 THR A 82 14.577 -9.732 0.510 1.00 0.00 H new ATOM 0 HG23 THR A 82 14.722 -8.563 1.844 1.00 0.00 H new ATOM 1231 N ASN A 83 14.924 -7.887 -1.695 1.00 0.00 N ATOM 1232 CA ASN A 83 15.543 -8.437 -2.896 1.00 0.00 C ATOM 1233 C ASN A 83 16.968 -8.902 -2.609 1.00 0.00 C ATOM 1234 O ASN A 83 17.628 -8.393 -1.703 1.00 0.00 O ATOM 1235 CB ASN A 83 15.551 -7.394 -4.014 1.00 0.00 C ATOM 1236 CG ASN A 83 15.923 -7.990 -5.358 1.00 0.00 C ATOM 1237 OD1 ASN A 83 17.077 -7.923 -5.782 1.00 0.00 O ATOM 1238 ND2 ASN A 83 14.943 -8.577 -6.036 1.00 0.00 N ATOM 0 H ASN A 83 15.550 -7.326 -1.117 1.00 0.00 H new ATOM 0 HA ASN A 83 14.956 -9.298 -3.216 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.566 -6.933 -4.084 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.256 -6.602 -3.763 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.132 -8.996 -6.947 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.001 -8.609 -5.646 1.00 0.00 H new ATOM 1245 N VAL A 84 17.436 -9.872 -3.388 1.00 0.00 N ATOM 1246 CA VAL A 84 18.783 -10.405 -3.219 1.00 0.00 C ATOM 1247 C VAL A 84 19.829 -9.303 -3.341 1.00 0.00 C ATOM 1248 O VAL A 84 20.959 -9.452 -2.878 1.00 0.00 O ATOM 1249 CB VAL A 84 19.086 -11.502 -4.256 1.00 0.00 C ATOM 1250 CG1 VAL A 84 18.812 -10.997 -5.665 1.00 0.00 C ATOM 1251 CG2 VAL A 84 20.525 -11.978 -4.123 1.00 0.00 C ATOM 0 H VAL A 84 16.903 -10.305 -4.142 1.00 0.00 H new ATOM 0 HA VAL A 84 18.830 -10.837 -2.219 1.00 0.00 H new ATOM 0 HB VAL A 84 18.427 -12.349 -4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.032 -11.786 -6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.764 -10.710 -5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 84 19.443 -10.133 -5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.722 -12.753 -4.864 1.00 0.00 H new ATOM 0 HG22 VAL A 84 21.202 -11.140 -4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.683 -12.383 -3.123 1.00 0.00 H new ATOM 1261 N ALA A 85 19.444 -8.195 -3.967 1.00 0.00 N ATOM 1262 CA ALA A 85 20.348 -7.066 -4.147 1.00 0.00 C ATOM 1263 C ALA A 85 20.345 -6.160 -2.921 1.00 0.00 C ATOM 1264 O ALA A 85 21.398 -5.720 -2.460 1.00 0.00 O ATOM 1265 CB ALA A 85 19.965 -6.277 -5.390 1.00 0.00 C ATOM 0 H ALA A 85 18.512 -8.056 -4.358 1.00 0.00 H new ATOM 0 HA ALA A 85 21.357 -7.457 -4.275 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.648 -5.437 -5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 85 20.026 -6.924 -6.265 1.00 0.00 H new ATOM 0 HB3 ALA A 85 18.946 -5.904 -5.285 1.00 0.00 H new ATOM 1271 N GLY A 86 19.155 -5.883 -2.397 1.00 0.00 N ATOM 1272 CA GLY A 86 19.038 -5.029 -1.230 1.00 0.00 C ATOM 1273 C GLY A 86 17.620 -4.963 -0.699 1.00 0.00 C ATOM 1274 O GLY A 86 16.782 -5.795 -1.044 1.00 0.00 O ATOM 0 H GLY A 86 18.269 -6.235 -2.760 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.699 -5.398 -0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.375 -4.024 -1.484 1.00 0.00 H new ATOM 1278 N ASN A 87 17.350 -3.971 0.143 1.00 0.00 N ATOM 1279 CA ASN A 87 16.023 -3.800 0.724 1.00 0.00 C ATOM 1280 C ASN A 87 15.611 -2.331 0.716 1.00 0.00 C ATOM 1281 O ASN A 87 16.419 -1.447 0.997 1.00 0.00 O ATOM 1282 CB ASN A 87 15.997 -4.341 2.155 1.00 0.00 C ATOM 1283 CG ASN A 87 17.083 -3.734 3.023 1.00 0.00 C ATOM 1284 OD1 ASN A 87 17.453 -2.572 2.850 1.00 0.00 O ATOM 1285 ND2 ASN A 87 17.598 -4.519 3.962 1.00 0.00 N ATOM 0 H ASN A 87 18.033 -3.273 0.438 1.00 0.00 H new ATOM 0 HA ASN A 87 15.312 -4.361 0.117 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.023 -4.136 2.600 1.00 0.00 H new ATOM 0 HB3 ASN A 87 16.116 -5.424 2.133 1.00 0.00 H new ATOM 0 HD21 ASN A 87 18.331 -4.165 4.577 1.00 0.00 H new ATOM 0 HD22 ASN A 87 17.260 -5.476 4.069 1.00 0.00 H new ATOM 1292 N SER A 88 14.346 -2.079 0.392 1.00 0.00 N ATOM 1293 CA SER A 88 13.826 -0.718 0.344 1.00 0.00 C ATOM 1294 C SER A 88 12.358 -0.683 0.757 1.00 0.00 C ATOM 1295 O SER A 88 11.675 -1.706 0.751 1.00 0.00 O ATOM 1296 CB SER A 88 13.986 -0.137 -1.062 1.00 0.00 C ATOM 1297 OG SER A 88 13.350 -0.957 -2.027 1.00 0.00 O ATOM 0 H SER A 88 13.663 -2.800 0.159 1.00 0.00 H new ATOM 0 HA SER A 88 14.398 -0.112 1.047 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.561 0.866 -1.095 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.045 -0.042 -1.302 1.00 0.00 H new ATOM 0 HG SER A 88 13.682 -0.729 -2.920 1.00 0.00 H new ATOM 1303 N ASN A 89 11.879 0.504 1.117 1.00 0.00 N ATOM 1304 CA ASN A 89 10.492 0.674 1.534 1.00 0.00 C ATOM 1305 C ASN A 89 10.049 2.125 1.370 1.00 0.00 C ATOM 1306 O ASN A 89 10.839 3.051 1.554 1.00 0.00 O ATOM 1307 CB ASN A 89 10.318 0.237 2.990 1.00 0.00 C ATOM 1308 CG ASN A 89 11.508 0.612 3.852 1.00 0.00 C ATOM 1309 OD1 ASN A 89 12.571 -0.002 3.763 1.00 0.00 O ATOM 1310 ND2 ASN A 89 11.333 1.625 4.693 1.00 0.00 N ATOM 0 H ASN A 89 12.431 1.362 1.128 1.00 0.00 H new ATOM 0 HA ASN A 89 9.868 0.048 0.897 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.418 0.695 3.399 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.171 -0.842 3.028 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.098 1.923 5.299 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.434 2.105 4.733 1.00 0.00 H new ATOM 1317 N ALA A 90 8.780 2.315 1.024 1.00 0.00 N ATOM 1318 CA ALA A 90 8.231 3.653 0.839 1.00 0.00 C ATOM 1319 C ALA A 90 7.071 3.908 1.795 1.00 0.00 C ATOM 1320 O ALA A 90 6.532 2.977 2.394 1.00 0.00 O ATOM 1321 CB ALA A 90 7.781 3.843 -0.602 1.00 0.00 C ATOM 0 H ALA A 90 8.113 1.560 0.866 1.00 0.00 H new ATOM 0 HA ALA A 90 9.016 4.375 1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.373 4.846 -0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.633 3.712 -1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.014 3.107 -0.844 1.00 0.00 H new ATOM 1327 N SER A 91 6.693 5.174 1.935 1.00 0.00 N ATOM 1328 CA SER A 91 5.600 5.552 2.823 1.00 0.00 C ATOM 1329 C SER A 91 4.545 6.360 2.073 1.00 0.00 C ATOM 1330 O SER A 91 4.798 6.872 0.983 1.00 0.00 O ATOM 1331 CB SER A 91 6.132 6.362 4.006 1.00 0.00 C ATOM 1332 OG SER A 91 7.085 5.617 4.746 1.00 0.00 O ATOM 0 H SER A 91 7.128 5.956 1.445 1.00 0.00 H new ATOM 0 HA SER A 91 5.136 4.639 3.196 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.587 7.284 3.644 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.305 6.649 4.656 1.00 0.00 H new ATOM 0 HG SER A 91 7.412 6.157 5.496 1.00 0.00 H new ATOM 1338 N ALA A 92 3.361 6.469 2.666 1.00 0.00 N ATOM 1339 CA ALA A 92 2.267 7.216 2.056 1.00 0.00 C ATOM 1340 C ALA A 92 1.098 7.366 3.023 1.00 0.00 C ATOM 1341 O ALA A 92 0.692 6.403 3.676 1.00 0.00 O ATOM 1342 CB ALA A 92 1.811 6.533 0.775 1.00 0.00 C ATOM 0 H ALA A 92 3.134 6.050 3.568 1.00 0.00 H new ATOM 0 HA ALA A 92 2.633 8.213 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.994 7.101 0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.643 6.484 0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.469 5.524 1.003 1.00 0.00 H new ATOM 1348 N TYR A 93 0.561 8.577 3.111 1.00 0.00 N ATOM 1349 CA TYR A 93 -0.561 8.853 4.002 1.00 0.00 C ATOM 1350 C TYR A 93 -1.890 8.652 3.282 1.00 0.00 C ATOM 1351 O TYR A 93 -2.015 8.938 2.090 1.00 0.00 O ATOM 1352 CB TYR A 93 -0.471 10.282 4.541 1.00 0.00 C ATOM 1353 CG TYR A 93 -1.456 10.573 5.651 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -2.756 10.971 5.366 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -1.086 10.448 6.985 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -3.659 11.239 6.377 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -1.983 10.712 8.002 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.268 11.108 7.693 1.00 0.00 C ATOM 1359 OH TYR A 93 -4.165 11.372 8.703 1.00 0.00 O ATOM 0 H TYR A 93 0.884 9.384 2.577 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.511 8.153 4.836 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.540 10.460 4.908 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.641 10.982 3.723 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.066 11.073 4.337 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.081 10.139 7.231 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.665 11.549 6.138 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.680 10.609 9.033 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.732 11.231 9.571 1.00 0.00 H new ATOM 1369 N LEU A 94 -2.883 8.158 4.014 1.00 0.00 N ATOM 1370 CA LEU A 94 -4.206 7.918 3.447 1.00 0.00 C ATOM 1371 C LEU A 94 -5.282 8.642 4.250 1.00 0.00 C ATOM 1372 O LEU A 94 -5.504 8.341 5.422 1.00 0.00 O ATOM 1373 CB LEU A 94 -4.503 6.418 3.412 1.00 0.00 C ATOM 1374 CG LEU A 94 -5.947 6.027 3.096 1.00 0.00 C ATOM 1375 CD1 LEU A 94 -6.154 5.918 1.593 1.00 0.00 C ATOM 1376 CD2 LEU A 94 -6.307 4.717 3.782 1.00 0.00 C ATOM 0 H LEU A 94 -2.797 7.916 5.001 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.214 8.308 2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.852 5.956 2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.236 5.992 4.379 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.606 6.807 3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.187 5.639 1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.938 6.878 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.486 5.158 1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.338 4.454 3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.642 3.928 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.199 4.830 4.861 1.00 0.00 H new ATOM 1388 N ASN A 95 -5.948 9.598 3.610 1.00 0.00 N ATOM 1389 CA ASN A 95 -7.002 10.364 4.265 1.00 0.00 C ATOM 1390 C ASN A 95 -8.374 9.769 3.963 1.00 0.00 C ATOM 1391 O ASN A 95 -8.715 9.521 2.807 1.00 0.00 O ATOM 1392 CB ASN A 95 -6.956 11.824 3.811 1.00 0.00 C ATOM 1393 CG ASN A 95 -7.992 12.681 4.514 1.00 0.00 C ATOM 1394 OD1 ASN A 95 -8.509 12.310 5.568 1.00 0.00 O ATOM 1395 ND2 ASN A 95 -8.300 13.834 3.932 1.00 0.00 N ATOM 0 H ASN A 95 -5.777 9.860 2.639 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.835 10.319 5.341 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.963 12.230 4.002 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.119 11.872 2.734 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.990 14.452 4.359 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.846 14.102 3.058 1.00 0.00 H new ATOM 1402 N VAL A 96 -9.159 9.543 5.012 1.00 0.00 N ATOM 1403 CA VAL A 96 -10.495 8.979 4.860 1.00 0.00 C ATOM 1404 C VAL A 96 -11.551 9.898 5.462 1.00 0.00 C ATOM 1405 O VAL A 96 -11.596 10.098 6.676 1.00 0.00 O ATOM 1406 CB VAL A 96 -10.598 7.593 5.524 1.00 0.00 C ATOM 1407 CG1 VAL A 96 -11.918 6.927 5.168 1.00 0.00 C ATOM 1408 CG2 VAL A 96 -9.422 6.718 5.115 1.00 0.00 C ATOM 0 H VAL A 96 -8.893 9.742 5.976 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.675 8.875 3.790 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.565 7.724 6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.973 5.949 5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.744 7.548 5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.985 6.807 4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.511 5.743 5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.421 6.593 4.032 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.491 7.191 5.426 1.00 0.00 H new ATOM 1418 N SER A 97 -12.401 10.455 4.605 1.00 0.00 N ATOM 1419 CA SER A 97 -13.456 11.357 5.052 1.00 0.00 C ATOM 1420 C SER A 97 -14.820 10.679 4.971 1.00 0.00 C ATOM 1421 O SER A 97 -15.179 10.102 3.945 1.00 0.00 O ATOM 1422 CB SER A 97 -13.458 12.633 4.208 1.00 0.00 C ATOM 1423 OG SER A 97 -12.232 13.332 4.338 1.00 0.00 O ATOM 0 H SER A 97 -12.380 10.297 3.597 1.00 0.00 H new ATOM 0 HA SER A 97 -13.260 11.618 6.092 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.627 12.380 3.161 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.282 13.276 4.518 1.00 0.00 H new ATOM 0 HG SER A 97 -12.258 14.143 3.788 1.00 0.00 H new ATOM 1429 N SER A 98 -15.577 10.753 6.062 1.00 0.00 N ATOM 1430 CA SER A 98 -16.900 10.144 6.117 1.00 0.00 C ATOM 1431 C SER A 98 -17.746 10.572 4.922 1.00 0.00 C ATOM 1432 O SER A 98 -17.852 11.759 4.615 1.00 0.00 O ATOM 1433 CB SER A 98 -17.607 10.526 7.419 1.00 0.00 C ATOM 1434 OG SER A 98 -18.798 9.777 7.592 1.00 0.00 O ATOM 0 H SER A 98 -15.296 11.229 6.919 1.00 0.00 H new ATOM 0 HA SER A 98 -16.776 9.062 6.083 1.00 0.00 H new ATOM 0 HB2 SER A 98 -16.939 10.353 8.263 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.841 11.591 7.410 1.00 0.00 H new ATOM 0 HG SER A 98 -19.230 10.039 8.432 1.00 0.00 H new