USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 726 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 23 THR OG1 : rot -100:sc= -1.71! USER MOD Set 1.2: A 31 MET CE :methyl 177:sc= 0 (180deg=-0.0171) USER MOD Single : A 0 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0244) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -5 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0873 K(o=-0.087,f=-4.6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 17 MET CE :methyl 160:sc= -0.606 (180deg=-2.22) USER MOD Single : A 18 GLN : amide:sc= -2.18! C(o=-2.2!,f=-5.5!) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0563 USER MOD Single : A 24 MET CE :methyl 159:sc= -0.317 (180deg=-0.902) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 57:sc= -2.77! USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot -175:sc= -1.31 USER MOD Single : A 57 LYS NZ :NH3+ 157:sc= 1.05 (180deg=0.687) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0.82 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0139 F(o=-1.3,f=-0.014) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -156:sc= -3.28! (180deg=-5.34!) USER MOD Single : A 81 TYR OH : rot -166:sc= 0.383 USER MOD Single : A 83 LYS NZ :NH3+ -160:sc= 1.24 (180deg=1.2) USER MOD Single : A 84 LYS NZ :NH3+ -114:sc= -1.01 (180deg=-3.03!) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.0843 F(o=-1.5,f=-0.084) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 19.420 -12.738 -13.963 1.00 1.00 N ATOM 2 CA GLY A -5 19.983 -11.439 -13.527 1.00 1.00 C ATOM 3 C GLY A -5 18.974 -10.614 -12.759 1.00 1.00 C ATOM 4 O GLY A -5 18.235 -9.822 -13.343 1.00 1.00 O ATOM 0 H1 GLY A -5 20.143 -13.272 -14.485 1.00 1.00 H new ATOM 0 H2 GLY A -5 19.121 -13.284 -13.130 1.00 1.00 H new ATOM 0 H3 GLY A -5 18.600 -12.571 -14.580 1.00 1.00 H new ATOM 0 HA2 GLY A -5 20.859 -11.615 -12.902 1.00 1.00 H new ATOM 0 HA3 GLY A -5 20.321 -10.879 -14.399 1.00 1.00 H new ATOM 10 N ILE A -4 18.934 -10.807 -11.449 1.00 1.00 N ATOM 11 CA ILE A -4 18.008 -10.076 -10.593 1.00 1.00 C ATOM 12 C ILE A -4 18.778 -9.303 -9.527 1.00 1.00 C ATOM 13 O ILE A -4 19.612 -9.872 -8.818 1.00 1.00 O ATOM 14 CB ILE A -4 16.998 -11.027 -9.906 1.00 1.00 C ATOM 15 CG1 ILE A -4 16.174 -11.790 -10.952 1.00 1.00 C ATOM 16 CG2 ILE A -4 16.080 -10.255 -8.964 1.00 1.00 C ATOM 17 CD1 ILE A -4 15.339 -10.896 -11.850 1.00 1.00 C ATOM 0 H ILE A -4 19.534 -11.466 -10.953 1.00 1.00 H new ATOM 0 HA ILE A -4 17.453 -9.383 -11.225 1.00 1.00 H new ATOM 0 HB ILE A -4 17.562 -11.750 -9.317 1.00 1.00 H new ATOM 0 HG12 ILE A -4 16.849 -12.381 -11.571 1.00 1.00 H new ATOM 0 HG13 ILE A -4 15.515 -12.491 -10.440 1.00 1.00 H new ATOM 0 HG21 ILE A -4 15.379 -10.944 -8.493 1.00 1.00 H new ATOM 0 HG22 ILE A -4 16.677 -9.763 -8.196 1.00 1.00 H new ATOM 0 HG23 ILE A -4 15.527 -9.505 -9.529 1.00 1.00 H new ATOM 0 HD11 ILE A -4 14.786 -11.509 -12.562 1.00 1.00 H new ATOM 0 HD12 ILE A -4 14.638 -10.324 -11.243 1.00 1.00 H new ATOM 0 HD13 ILE A -4 15.992 -10.212 -12.392 1.00 1.00 H new ATOM 29 N ASP A -3 18.517 -8.008 -9.429 1.00 1.00 N ATOM 30 CA ASP A -3 19.158 -7.182 -8.414 1.00 1.00 C ATOM 31 C ASP A -3 18.296 -7.143 -7.157 1.00 1.00 C ATOM 32 O ASP A -3 17.068 -7.196 -7.237 1.00 1.00 O ATOM 33 CB ASP A -3 19.430 -5.757 -8.931 1.00 1.00 C ATOM 34 CG ASP A -3 18.173 -4.943 -9.175 1.00 1.00 C ATOM 35 OD1 ASP A -3 17.627 -5.003 -10.297 1.00 1.00 O ATOM 36 OD2 ASP A -3 17.736 -4.214 -8.259 1.00 1.00 O ATOM 0 H ASP A -3 17.869 -7.507 -10.037 1.00 1.00 H new ATOM 0 HA ASP A -3 20.122 -7.629 -8.172 1.00 1.00 H new ATOM 0 HB2 ASP A -3 20.057 -5.233 -8.210 1.00 1.00 H new ATOM 0 HB3 ASP A -3 19.997 -5.820 -9.860 1.00 1.00 H new ATOM 41 N PRO A -2 18.931 -7.083 -5.977 1.00 1.00 N ATOM 42 CA PRO A -2 18.221 -7.058 -4.696 1.00 1.00 C ATOM 43 C PRO A -2 17.336 -5.824 -4.544 1.00 1.00 C ATOM 44 O PRO A -2 17.562 -4.795 -5.184 1.00 1.00 O ATOM 45 CB PRO A -2 19.342 -7.046 -3.651 1.00 1.00 C ATOM 46 CG PRO A -2 20.549 -6.573 -4.383 1.00 1.00 C ATOM 47 CD PRO A -2 20.390 -7.048 -5.797 1.00 1.00 C ATOM 0 HA PRO A -2 17.545 -7.907 -4.597 1.00 1.00 H new ATOM 0 HB2 PRO A -2 19.100 -6.383 -2.820 1.00 1.00 H new ATOM 0 HB3 PRO A -2 19.500 -8.039 -3.231 1.00 1.00 H new ATOM 0 HG2 PRO A -2 20.628 -5.487 -4.343 1.00 1.00 H new ATOM 0 HG3 PRO A -2 21.458 -6.975 -3.937 1.00 1.00 H new ATOM 0 HD2 PRO A -2 20.867 -6.371 -6.505 1.00 1.00 H new ATOM 0 HD3 PRO A -2 20.838 -8.031 -5.945 1.00 1.00 H new ATOM 55 N PHE A -1 16.340 -5.933 -3.682 1.00 1.00 N ATOM 56 CA PHE A -1 15.375 -4.865 -3.475 1.00 1.00 C ATOM 57 C PHE A -1 15.744 -4.065 -2.233 1.00 1.00 C ATOM 58 O PHE A -1 14.993 -3.189 -1.799 1.00 1.00 O ATOM 59 CB PHE A -1 13.972 -5.458 -3.308 1.00 1.00 C ATOM 60 CG PHE A -1 13.628 -6.498 -4.338 1.00 1.00 C ATOM 61 CD1 PHE A -1 13.226 -6.128 -5.610 1.00 1.00 C ATOM 62 CD2 PHE A -1 13.718 -7.848 -4.032 1.00 1.00 C ATOM 63 CE1 PHE A -1 12.916 -7.085 -6.557 1.00 1.00 C ATOM 64 CE2 PHE A -1 13.411 -8.808 -4.977 1.00 1.00 C ATOM 65 CZ PHE A -1 13.010 -8.426 -6.241 1.00 1.00 C ATOM 0 H PHE A -1 16.177 -6.760 -3.108 1.00 1.00 H new ATOM 0 HA PHE A -1 15.386 -4.204 -4.342 1.00 1.00 H new ATOM 0 HB2 PHE A -1 13.891 -5.902 -2.316 1.00 1.00 H new ATOM 0 HB3 PHE A -1 13.239 -4.653 -3.359 1.00 1.00 H new ATOM 0 HD1 PHE A -1 13.154 -5.081 -5.865 1.00 1.00 H new ATOM 0 HD2 PHE A -1 14.031 -8.152 -3.044 1.00 1.00 H new ATOM 0 HE1 PHE A -1 12.600 -6.784 -7.545 1.00 1.00 H new ATOM 0 HE2 PHE A -1 13.485 -9.856 -4.727 1.00 1.00 H new ATOM 0 HZ PHE A -1 12.770 -9.174 -6.982 1.00 1.00 H new ATOM 75 N THR A 0 16.920 -4.374 -1.685 1.00 1.00 N ATOM 76 CA THR A 0 17.376 -3.807 -0.422 1.00 1.00 C ATOM 77 C THR A 0 16.516 -4.338 0.722 1.00 1.00 C ATOM 78 O THR A 0 15.435 -3.813 0.995 1.00 1.00 O ATOM 79 CB THR A 0 17.357 -2.264 -0.434 1.00 1.00 C ATOM 80 OG1 THR A 0 18.051 -1.777 -1.595 1.00 1.00 O ATOM 81 CG2 THR A 0 18.010 -1.700 0.819 1.00 1.00 C ATOM 0 H THR A 0 17.581 -5.025 -2.107 1.00 1.00 H new ATOM 0 HA THR A 0 18.412 -4.114 -0.276 1.00 1.00 H new ATOM 0 HB THR A 0 16.317 -1.937 -0.461 1.00 1.00 H new ATOM 0 HG1 THR A 0 18.035 -0.797 -1.599 1.00 1.00 H new ATOM 0 HG21 THR A 0 17.983 -0.611 0.785 1.00 1.00 H new ATOM 0 HG22 THR A 0 17.470 -2.049 1.699 1.00 1.00 H new ATOM 0 HG23 THR A 0 19.046 -2.036 0.872 1.00 1.00 H new ATOM 89 N MET A 1 17.011 -5.400 1.365 1.00 1.00 N ATOM 90 CA MET A 1 16.262 -6.135 2.387 1.00 1.00 C ATOM 91 C MET A 1 15.088 -6.876 1.755 1.00 1.00 C ATOM 92 O MET A 1 14.884 -6.816 0.541 1.00 1.00 O ATOM 93 CB MET A 1 15.746 -5.206 3.494 1.00 1.00 C ATOM 94 CG MET A 1 16.837 -4.512 4.289 1.00 1.00 C ATOM 95 SD MET A 1 16.161 -3.371 5.512 1.00 1.00 S ATOM 96 CE MET A 1 17.664 -2.743 6.253 1.00 1.00 C ATOM 0 H MET A 1 17.944 -5.774 1.191 1.00 1.00 H new ATOM 0 HA MET A 1 16.948 -6.852 2.838 1.00 1.00 H new ATOM 0 HB2 MET A 1 15.103 -4.449 3.046 1.00 1.00 H new ATOM 0 HB3 MET A 1 15.127 -5.786 4.179 1.00 1.00 H new ATOM 0 HG2 MET A 1 17.451 -5.260 4.791 1.00 1.00 H new ATOM 0 HG3 MET A 1 17.491 -3.968 3.608 1.00 1.00 H new ATOM 0 HE1 MET A 1 17.412 -2.023 7.031 1.00 1.00 H new ATOM 0 HE2 MET A 1 18.226 -3.568 6.690 1.00 1.00 H new ATOM 0 HE3 MET A 1 18.270 -2.255 5.489 1.00 1.00 H new ATOM 106 N VAL A 2 14.338 -7.601 2.567 1.00 1.00 N ATOM 107 CA VAL A 2 13.105 -8.214 2.102 1.00 1.00 C ATOM 108 C VAL A 2 12.045 -7.135 1.945 1.00 1.00 C ATOM 109 O VAL A 2 11.398 -6.748 2.918 1.00 1.00 O ATOM 110 CB VAL A 2 12.588 -9.297 3.074 1.00 1.00 C ATOM 111 CG1 VAL A 2 11.380 -10.017 2.492 1.00 1.00 C ATOM 112 CG2 VAL A 2 13.692 -10.285 3.414 1.00 1.00 C ATOM 0 H VAL A 2 14.559 -7.779 3.547 1.00 1.00 H new ATOM 0 HA VAL A 2 13.312 -8.699 1.148 1.00 1.00 H new ATOM 0 HB VAL A 2 12.276 -8.804 3.995 1.00 1.00 H new ATOM 0 HG11 VAL A 2 11.034 -10.775 3.195 1.00 1.00 H new ATOM 0 HG12 VAL A 2 10.581 -9.299 2.311 1.00 1.00 H new ATOM 0 HG13 VAL A 2 11.659 -10.494 1.552 1.00 1.00 H new ATOM 0 HG21 VAL A 2 13.307 -11.039 4.100 1.00 1.00 H new ATOM 0 HG22 VAL A 2 14.041 -10.769 2.502 1.00 1.00 H new ATOM 0 HG23 VAL A 2 14.521 -9.756 3.885 1.00 1.00 H new ATOM 122 N ALA A 3 11.907 -6.617 0.738 1.00 1.00 N ATOM 123 CA ALA A 3 10.980 -5.529 0.486 1.00 1.00 C ATOM 124 C ALA A 3 9.763 -6.015 -0.287 1.00 1.00 C ATOM 125 O ALA A 3 9.852 -6.934 -1.104 1.00 1.00 O ATOM 126 CB ALA A 3 11.676 -4.403 -0.263 1.00 1.00 C ATOM 0 H ALA A 3 12.425 -6.932 -0.083 1.00 1.00 H new ATOM 0 HA ALA A 3 10.636 -5.147 1.447 1.00 1.00 H new ATOM 0 HB1 ALA A 3 10.968 -3.595 -0.445 1.00 1.00 H new ATOM 0 HB2 ALA A 3 12.508 -4.029 0.333 1.00 1.00 H new ATOM 0 HB3 ALA A 3 12.051 -4.777 -1.215 1.00 1.00 H new ATOM 132 N LEU A 4 8.630 -5.400 -0.005 1.00 1.00 N ATOM 133 CA LEU A 4 7.376 -5.750 -0.639 1.00 1.00 C ATOM 134 C LEU A 4 7.051 -4.751 -1.739 1.00 1.00 C ATOM 135 O LEU A 4 6.654 -3.620 -1.464 1.00 1.00 O ATOM 136 CB LEU A 4 6.243 -5.779 0.395 1.00 1.00 C ATOM 137 CG LEU A 4 6.291 -6.925 1.413 1.00 1.00 C ATOM 138 CD1 LEU A 4 7.475 -6.792 2.355 1.00 1.00 C ATOM 139 CD2 LEU A 4 4.997 -6.983 2.207 1.00 1.00 C ATOM 0 H LEU A 4 8.555 -4.641 0.673 1.00 1.00 H new ATOM 0 HA LEU A 4 7.473 -6.743 -1.078 1.00 1.00 H new ATOM 0 HB2 LEU A 4 6.251 -4.835 0.940 1.00 1.00 H new ATOM 0 HB3 LEU A 4 5.293 -5.832 -0.137 1.00 1.00 H new ATOM 0 HG LEU A 4 6.412 -7.853 0.855 1.00 1.00 H new ATOM 0 HD11 LEU A 4 7.474 -7.623 3.061 1.00 1.00 H new ATOM 0 HD12 LEU A 4 8.401 -6.806 1.780 1.00 1.00 H new ATOM 0 HD13 LEU A 4 7.401 -5.852 2.901 1.00 1.00 H new ATOM 0 HD21 LEU A 4 5.047 -7.802 2.925 1.00 1.00 H new ATOM 0 HD22 LEU A 4 4.854 -6.042 2.739 1.00 1.00 H new ATOM 0 HD23 LEU A 4 4.160 -7.147 1.528 1.00 1.00 H new ATOM 151 N SER A 5 7.245 -5.161 -2.980 1.00 1.00 N ATOM 152 CA SER A 5 6.947 -4.305 -4.112 1.00 1.00 C ATOM 153 C SER A 5 5.499 -4.487 -4.527 1.00 1.00 C ATOM 154 O SER A 5 5.128 -5.531 -5.057 1.00 1.00 O ATOM 155 CB SER A 5 7.860 -4.637 -5.293 1.00 1.00 C ATOM 156 OG SER A 5 7.866 -3.585 -6.245 1.00 1.00 O ATOM 0 H SER A 5 7.608 -6.081 -3.228 1.00 1.00 H new ATOM 0 HA SER A 5 7.116 -3.270 -3.816 1.00 1.00 H new ATOM 0 HB2 SER A 5 8.874 -4.813 -4.934 1.00 1.00 H new ATOM 0 HB3 SER A 5 7.525 -5.559 -5.768 1.00 1.00 H new ATOM 0 HG SER A 5 8.458 -3.821 -6.989 1.00 1.00 H new ATOM 162 N LEU A 6 4.678 -3.488 -4.273 1.00 1.00 N ATOM 163 CA LEU A 6 3.284 -3.566 -4.652 1.00 1.00 C ATOM 164 C LEU A 6 2.915 -2.450 -5.609 1.00 1.00 C ATOM 165 O LEU A 6 3.563 -1.400 -5.653 1.00 1.00 O ATOM 166 CB LEU A 6 2.358 -3.526 -3.434 1.00 1.00 C ATOM 167 CG LEU A 6 2.276 -4.821 -2.618 1.00 1.00 C ATOM 168 CD1 LEU A 6 3.448 -4.941 -1.663 1.00 1.00 C ATOM 169 CD2 LEU A 6 0.963 -4.880 -1.863 1.00 1.00 C ATOM 0 H LEU A 6 4.950 -2.621 -3.810 1.00 1.00 H new ATOM 0 HA LEU A 6 3.149 -4.525 -5.153 1.00 1.00 H new ATOM 0 HB2 LEU A 6 2.689 -2.723 -2.775 1.00 1.00 H new ATOM 0 HB3 LEU A 6 1.355 -3.267 -3.772 1.00 1.00 H new ATOM 0 HG LEU A 6 2.322 -5.663 -3.308 1.00 1.00 H new ATOM 0 HD11 LEU A 6 3.363 -5.869 -1.098 1.00 1.00 H new ATOM 0 HD12 LEU A 6 4.380 -4.945 -2.229 1.00 1.00 H new ATOM 0 HD13 LEU A 6 3.445 -4.096 -0.975 1.00 1.00 H new ATOM 0 HD21 LEU A 6 0.916 -5.804 -1.287 1.00 1.00 H new ATOM 0 HD22 LEU A 6 0.893 -4.027 -1.188 1.00 1.00 H new ATOM 0 HD23 LEU A 6 0.135 -4.851 -2.571 1.00 1.00 H new ATOM 181 N LYS A 7 1.877 -2.704 -6.378 1.00 1.00 N ATOM 182 CA LYS A 7 1.340 -1.737 -7.308 1.00 1.00 C ATOM 183 C LYS A 7 0.250 -0.928 -6.624 1.00 1.00 C ATOM 184 O LYS A 7 -0.825 -1.449 -6.325 1.00 1.00 O ATOM 185 CB LYS A 7 0.767 -2.444 -8.540 1.00 1.00 C ATOM 186 CG LYS A 7 1.796 -3.214 -9.356 1.00 1.00 C ATOM 187 CD LYS A 7 2.894 -2.302 -9.882 1.00 1.00 C ATOM 188 CE LYS A 7 3.730 -2.982 -10.958 1.00 1.00 C ATOM 189 NZ LYS A 7 4.353 -4.245 -10.483 1.00 1.00 N ATOM 0 H LYS A 7 1.380 -3.594 -6.374 1.00 1.00 H new ATOM 0 HA LYS A 7 2.141 -1.071 -7.630 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -0.014 -3.133 -8.218 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.293 -1.702 -9.182 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.238 -3.997 -8.739 1.00 1.00 H new ATOM 0 HG3 LYS A 7 1.301 -3.708 -10.192 1.00 1.00 H new ATOM 0 HD2 LYS A 7 2.448 -1.394 -10.288 1.00 1.00 H new ATOM 0 HD3 LYS A 7 3.540 -1.999 -9.058 1.00 1.00 H new ATOM 0 HE2 LYS A 7 3.101 -3.194 -11.822 1.00 1.00 H new ATOM 0 HE3 LYS A 7 4.511 -2.299 -11.292 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 4.991 -4.615 -11.217 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 4.894 -4.060 -9.615 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 3.610 -4.945 -10.285 1.00 1.00 H new ATOM 203 N ILE A 8 0.535 0.328 -6.345 1.00 1.00 N ATOM 204 CA ILE A 8 -0.435 1.193 -5.702 1.00 1.00 C ATOM 205 C ILE A 8 -1.299 1.888 -6.742 1.00 1.00 C ATOM 206 O ILE A 8 -0.830 2.746 -7.487 1.00 1.00 O ATOM 207 CB ILE A 8 0.241 2.244 -4.802 1.00 1.00 C ATOM 208 CG1 ILE A 8 1.054 1.557 -3.700 1.00 1.00 C ATOM 209 CG2 ILE A 8 -0.803 3.173 -4.200 1.00 1.00 C ATOM 210 CD1 ILE A 8 0.231 0.654 -2.805 1.00 1.00 C ATOM 0 H ILE A 8 1.429 0.773 -6.553 1.00 1.00 H new ATOM 0 HA ILE A 8 -1.062 0.562 -5.071 1.00 1.00 H new ATOM 0 HB ILE A 8 0.922 2.840 -5.410 1.00 1.00 H new ATOM 0 HG12 ILE A 8 1.849 0.970 -4.160 1.00 1.00 H new ATOM 0 HG13 ILE A 8 1.535 2.320 -3.087 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -0.311 3.911 -3.566 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -1.341 3.682 -4.999 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -1.506 2.592 -3.603 1.00 1.00 H new ATOM 0 HD11 ILE A 8 0.876 0.204 -2.050 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -0.547 1.239 -2.315 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -0.229 -0.132 -3.405 1.00 1.00 H new ATOM 222 N SER A 9 -2.556 1.497 -6.793 1.00 1.00 N ATOM 223 CA SER A 9 -3.485 2.048 -7.759 1.00 1.00 C ATOM 224 C SER A 9 -4.169 3.287 -7.186 1.00 1.00 C ATOM 225 O SER A 9 -5.069 3.181 -6.350 1.00 1.00 O ATOM 226 CB SER A 9 -4.523 0.988 -8.140 1.00 1.00 C ATOM 227 OG SER A 9 -5.226 1.341 -9.319 1.00 1.00 O ATOM 0 H SER A 9 -2.960 0.795 -6.173 1.00 1.00 H new ATOM 0 HA SER A 9 -2.938 2.342 -8.655 1.00 1.00 H new ATOM 0 HB2 SER A 9 -4.026 0.029 -8.286 1.00 1.00 H new ATOM 0 HB3 SER A 9 -5.230 0.860 -7.320 1.00 1.00 H new ATOM 0 HG SER A 9 -5.878 0.641 -9.533 1.00 1.00 H new ATOM 233 N ILE A 10 -3.710 4.458 -7.607 1.00 1.00 N ATOM 234 CA ILE A 10 -4.334 5.712 -7.216 1.00 1.00 C ATOM 235 C ILE A 10 -5.151 6.249 -8.384 1.00 1.00 C ATOM 236 O ILE A 10 -4.608 6.826 -9.332 1.00 1.00 O ATOM 237 CB ILE A 10 -3.295 6.769 -6.767 1.00 1.00 C ATOM 238 CG1 ILE A 10 -2.515 6.269 -5.545 1.00 1.00 C ATOM 239 CG2 ILE A 10 -3.985 8.091 -6.445 1.00 1.00 C ATOM 240 CD1 ILE A 10 -1.349 7.155 -5.163 1.00 1.00 C ATOM 0 H ILE A 10 -2.904 4.564 -8.222 1.00 1.00 H new ATOM 0 HA ILE A 10 -4.980 5.514 -6.361 1.00 1.00 H new ATOM 0 HB ILE A 10 -2.594 6.931 -7.586 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -3.195 6.193 -4.697 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -2.145 5.264 -5.748 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -3.241 8.823 -6.131 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -4.502 8.457 -7.332 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -4.706 7.939 -5.642 1.00 1.00 H new ATOM 0 HD11 ILE A 10 -0.846 6.738 -4.291 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -0.647 7.211 -5.995 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -1.714 8.155 -4.928 1.00 1.00 H new ATOM 252 N GLY A 11 -6.452 6.023 -8.326 1.00 1.00 N ATOM 253 CA GLY A 11 -7.319 6.389 -9.420 1.00 1.00 C ATOM 254 C GLY A 11 -7.156 5.438 -10.584 1.00 1.00 C ATOM 255 O GLY A 11 -7.576 4.281 -10.515 1.00 1.00 O ATOM 0 H GLY A 11 -6.925 5.589 -7.533 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -8.356 6.383 -9.084 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -7.094 7.406 -9.742 1.00 1.00 H new ATOM 259 N ASN A 12 -6.532 5.916 -11.647 1.00 1.00 N ATOM 260 CA ASN A 12 -6.255 5.081 -12.807 1.00 1.00 C ATOM 261 C ASN A 12 -4.751 4.950 -13.015 1.00 1.00 C ATOM 262 O ASN A 12 -4.295 4.319 -13.971 1.00 1.00 O ATOM 263 CB ASN A 12 -6.911 5.660 -14.069 1.00 1.00 C ATOM 264 CG ASN A 12 -6.308 6.987 -14.503 1.00 1.00 C ATOM 265 OD1 ASN A 12 -5.859 7.786 -13.680 1.00 1.00 O ATOM 266 ND2 ASN A 12 -6.297 7.232 -15.806 1.00 1.00 N ATOM 0 H ASN A 12 -6.207 6.879 -11.732 1.00 1.00 H new ATOM 0 HA ASN A 12 -6.677 4.093 -12.622 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -6.815 4.941 -14.883 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -7.977 5.795 -13.887 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -5.907 8.107 -16.157 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -6.678 6.546 -16.457 1.00 1.00 H new ATOM 273 N VAL A 13 -3.984 5.543 -12.108 1.00 1.00 N ATOM 274 CA VAL A 13 -2.531 5.528 -12.203 1.00 1.00 C ATOM 275 C VAL A 13 -1.945 4.540 -11.203 1.00 1.00 C ATOM 276 O VAL A 13 -2.256 4.588 -10.012 1.00 1.00 O ATOM 277 CB VAL A 13 -1.933 6.931 -11.953 1.00 1.00 C ATOM 278 CG1 VAL A 13 -0.417 6.911 -12.085 1.00 1.00 C ATOM 279 CG2 VAL A 13 -2.540 7.945 -12.910 1.00 1.00 C ATOM 0 H VAL A 13 -4.347 6.042 -11.296 1.00 1.00 H new ATOM 0 HA VAL A 13 -2.272 5.219 -13.216 1.00 1.00 H new ATOM 0 HB VAL A 13 -2.177 7.226 -10.933 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -0.023 7.911 -11.904 1.00 1.00 H new ATOM 0 HG12 VAL A 13 0.003 6.218 -11.356 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -0.143 6.589 -13.090 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -2.108 8.928 -12.721 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -2.329 7.648 -13.937 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -3.619 7.987 -12.759 1.00 1.00 H new ATOM 289 N VAL A 14 -1.099 3.648 -11.691 1.00 1.00 N ATOM 290 CA VAL A 14 -0.521 2.610 -10.855 1.00 1.00 C ATOM 291 C VAL A 14 0.929 2.940 -10.510 1.00 1.00 C ATOM 292 O VAL A 14 1.763 3.139 -11.396 1.00 1.00 O ATOM 293 CB VAL A 14 -0.591 1.235 -11.550 1.00 1.00 C ATOM 294 CG1 VAL A 14 -0.024 0.147 -10.655 1.00 1.00 C ATOM 295 CG2 VAL A 14 -2.023 0.911 -11.942 1.00 1.00 C ATOM 0 H VAL A 14 -0.797 3.622 -12.665 1.00 1.00 H new ATOM 0 HA VAL A 14 -1.104 2.565 -9.935 1.00 1.00 H new ATOM 0 HB VAL A 14 0.015 1.279 -12.455 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -0.084 -0.813 -11.167 1.00 1.00 H new ATOM 0 HG12 VAL A 14 1.018 0.371 -10.425 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -0.598 0.101 -9.729 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -2.055 -0.063 -12.431 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -2.648 0.889 -11.050 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -2.394 1.674 -12.627 1.00 1.00 H new ATOM 305 N LYS A 15 1.214 3.007 -9.218 1.00 1.00 N ATOM 306 CA LYS A 15 2.546 3.342 -8.735 1.00 1.00 C ATOM 307 C LYS A 15 3.255 2.112 -8.182 1.00 1.00 C ATOM 308 O LYS A 15 2.791 1.489 -7.229 1.00 1.00 O ATOM 309 CB LYS A 15 2.454 4.419 -7.653 1.00 1.00 C ATOM 310 CG LYS A 15 1.958 5.760 -8.169 1.00 1.00 C ATOM 311 CD LYS A 15 2.965 6.393 -9.112 1.00 1.00 C ATOM 312 CE LYS A 15 2.484 7.736 -9.633 1.00 1.00 C ATOM 313 NZ LYS A 15 3.506 8.389 -10.491 1.00 1.00 N ATOM 0 H LYS A 15 0.533 2.832 -8.479 1.00 1.00 H new ATOM 0 HA LYS A 15 3.126 3.721 -9.576 1.00 1.00 H new ATOM 0 HB2 LYS A 15 1.786 4.073 -6.864 1.00 1.00 H new ATOM 0 HB3 LYS A 15 3.437 4.554 -7.202 1.00 1.00 H new ATOM 0 HG2 LYS A 15 1.008 5.625 -8.685 1.00 1.00 H new ATOM 0 HG3 LYS A 15 1.772 6.429 -7.329 1.00 1.00 H new ATOM 0 HD2 LYS A 15 3.915 6.523 -8.594 1.00 1.00 H new ATOM 0 HD3 LYS A 15 3.148 5.722 -9.951 1.00 1.00 H new ATOM 0 HE2 LYS A 15 1.565 7.598 -10.202 1.00 1.00 H new ATOM 0 HE3 LYS A 15 2.244 8.388 -8.793 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 3.143 9.303 -10.829 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 4.375 8.543 -9.940 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 3.717 7.778 -11.306 1.00 1.00 H new ATOM 327 N THR A 16 4.373 1.762 -8.792 1.00 1.00 N ATOM 328 CA THR A 16 5.184 0.647 -8.332 1.00 1.00 C ATOM 329 C THR A 16 6.128 1.107 -7.224 1.00 1.00 C ATOM 330 O THR A 16 7.066 1.861 -7.482 1.00 1.00 O ATOM 331 CB THR A 16 6.013 0.071 -9.493 1.00 1.00 C ATOM 332 OG1 THR A 16 5.183 -0.081 -10.652 1.00 1.00 O ATOM 333 CG2 THR A 16 6.619 -1.272 -9.116 1.00 1.00 C ATOM 0 H THR A 16 4.743 2.238 -9.615 1.00 1.00 H new ATOM 0 HA THR A 16 4.517 -0.125 -7.948 1.00 1.00 H new ATOM 0 HB THR A 16 6.825 0.765 -9.712 1.00 1.00 H new ATOM 0 HG1 THR A 16 5.715 -0.446 -11.390 1.00 1.00 H new ATOM 0 HG21 THR A 16 7.200 -1.657 -9.954 1.00 1.00 H new ATOM 0 HG22 THR A 16 7.270 -1.147 -8.250 1.00 1.00 H new ATOM 0 HG23 THR A 16 5.822 -1.975 -8.873 1.00 1.00 H new ATOM 341 N MET A 17 5.881 0.674 -5.995 1.00 1.00 N ATOM 342 CA MET A 17 6.700 1.121 -4.874 1.00 1.00 C ATOM 343 C MET A 17 7.145 -0.030 -3.984 1.00 1.00 C ATOM 344 O MET A 17 6.561 -1.115 -4.002 1.00 1.00 O ATOM 345 CB MET A 17 5.957 2.170 -4.044 1.00 1.00 C ATOM 346 CG MET A 17 5.993 3.557 -4.660 1.00 1.00 C ATOM 347 SD MET A 17 5.142 4.793 -3.662 1.00 1.00 S ATOM 348 CE MET A 17 5.921 4.539 -2.067 1.00 1.00 C ATOM 0 H MET A 17 5.134 0.025 -5.750 1.00 1.00 H new ATOM 0 HA MET A 17 7.597 1.570 -5.301 1.00 1.00 H new ATOM 0 HB2 MET A 17 4.919 1.860 -3.924 1.00 1.00 H new ATOM 0 HB3 MET A 17 6.395 2.211 -3.047 1.00 1.00 H new ATOM 0 HG2 MET A 17 7.031 3.861 -4.797 1.00 1.00 H new ATOM 0 HG3 MET A 17 5.538 3.521 -5.650 1.00 1.00 H new ATOM 0 HE1 MET A 17 5.780 5.425 -1.448 1.00 1.00 H new ATOM 0 HE2 MET A 17 5.470 3.677 -1.575 1.00 1.00 H new ATOM 0 HE3 MET A 17 6.987 4.360 -2.207 1.00 1.00 H new ATOM 358 N GLN A 18 8.199 0.227 -3.219 1.00 1.00 N ATOM 359 CA GLN A 18 8.756 -0.748 -2.294 1.00 1.00 C ATOM 360 C GLN A 18 8.351 -0.428 -0.860 1.00 1.00 C ATOM 361 O GLN A 18 8.549 0.693 -0.381 1.00 1.00 O ATOM 362 CB GLN A 18 10.282 -0.764 -2.405 1.00 1.00 C ATOM 363 CG GLN A 18 10.795 -1.373 -3.698 1.00 1.00 C ATOM 364 CD GLN A 18 10.691 -2.884 -3.712 1.00 1.00 C ATOM 365 OE1 GLN A 18 9.820 -3.468 -3.070 1.00 1.00 O ATOM 366 NE2 GLN A 18 11.577 -3.531 -4.447 1.00 1.00 N ATOM 0 H GLN A 18 8.692 1.120 -3.224 1.00 1.00 H new ATOM 0 HA GLN A 18 8.362 -1.730 -2.557 1.00 1.00 H new ATOM 0 HB2 GLN A 18 10.654 0.257 -2.322 1.00 1.00 H new ATOM 0 HB3 GLN A 18 10.693 -1.322 -1.563 1.00 1.00 H new ATOM 0 HG2 GLN A 18 10.230 -0.966 -4.536 1.00 1.00 H new ATOM 0 HG3 GLN A 18 11.835 -1.083 -3.844 1.00 1.00 H new ATOM 0 HE21 GLN A 18 12.285 -3.012 -4.966 1.00 1.00 H new ATOM 0 HE22 GLN A 18 11.553 -4.550 -4.496 1.00 1.00 H new ATOM 375 N PHE A 19 7.776 -1.411 -0.190 1.00 1.00 N ATOM 376 CA PHE A 19 7.406 -1.281 1.210 1.00 1.00 C ATOM 377 C PHE A 19 8.213 -2.266 2.050 1.00 1.00 C ATOM 378 O PHE A 19 8.835 -3.182 1.511 1.00 1.00 O ATOM 379 CB PHE A 19 5.912 -1.560 1.400 1.00 1.00 C ATOM 380 CG PHE A 19 4.995 -0.607 0.686 1.00 1.00 C ATOM 381 CD1 PHE A 19 4.687 0.625 1.242 1.00 1.00 C ATOM 382 CD2 PHE A 19 4.423 -0.950 -0.530 1.00 1.00 C ATOM 383 CE1 PHE A 19 3.831 1.498 0.598 1.00 1.00 C ATOM 384 CE2 PHE A 19 3.563 -0.082 -1.175 1.00 1.00 C ATOM 385 CZ PHE A 19 3.267 1.143 -0.611 1.00 1.00 C ATOM 0 H PHE A 19 7.553 -2.319 -0.598 1.00 1.00 H new ATOM 0 HA PHE A 19 7.619 -0.261 1.530 1.00 1.00 H new ATOM 0 HB2 PHE A 19 5.700 -2.572 1.056 1.00 1.00 H new ATOM 0 HB3 PHE A 19 5.684 -1.531 2.466 1.00 1.00 H new ATOM 0 HD1 PHE A 19 5.121 0.906 2.190 1.00 1.00 H new ATOM 0 HD2 PHE A 19 4.652 -1.906 -0.978 1.00 1.00 H new ATOM 0 HE1 PHE A 19 3.604 2.457 1.040 1.00 1.00 H new ATOM 0 HE2 PHE A 19 3.122 -0.362 -2.120 1.00 1.00 H new ATOM 0 HZ PHE A 19 2.595 1.822 -1.115 1.00 1.00 H new ATOM 395 N GLU A 20 8.201 -2.086 3.362 1.00 1.00 N ATOM 396 CA GLU A 20 8.843 -3.032 4.261 1.00 1.00 C ATOM 397 C GLU A 20 7.789 -3.928 4.911 1.00 1.00 C ATOM 398 O GLU A 20 6.642 -3.522 5.084 1.00 1.00 O ATOM 399 CB GLU A 20 9.671 -2.318 5.337 1.00 1.00 C ATOM 400 CG GLU A 20 10.942 -1.659 4.818 1.00 1.00 C ATOM 401 CD GLU A 20 10.711 -0.276 4.243 1.00 1.00 C ATOM 402 OE1 GLU A 20 10.642 0.690 5.034 1.00 1.00 O ATOM 403 OE2 GLU A 20 10.618 -0.141 3.005 1.00 1.00 O ATOM 0 H GLU A 20 7.755 -1.295 3.827 1.00 1.00 H new ATOM 0 HA GLU A 20 9.527 -3.644 3.673 1.00 1.00 H new ATOM 0 HB2 GLU A 20 9.050 -1.558 5.812 1.00 1.00 H new ATOM 0 HB3 GLU A 20 9.939 -3.039 6.110 1.00 1.00 H new ATOM 0 HG2 GLU A 20 11.665 -1.590 5.631 1.00 1.00 H new ATOM 0 HG3 GLU A 20 11.385 -2.294 4.051 1.00 1.00 H new ATOM 410 N PRO A 21 8.162 -5.166 5.268 1.00 1.00 N ATOM 411 CA PRO A 21 7.227 -6.132 5.857 1.00 1.00 C ATOM 412 C PRO A 21 6.769 -5.730 7.256 1.00 1.00 C ATOM 413 O PRO A 21 5.604 -5.913 7.618 1.00 1.00 O ATOM 414 CB PRO A 21 8.034 -7.431 5.909 1.00 1.00 C ATOM 415 CG PRO A 21 9.462 -7.008 5.898 1.00 1.00 C ATOM 416 CD PRO A 21 9.519 -5.723 5.119 1.00 1.00 C ATOM 0 HA PRO A 21 6.309 -6.209 5.274 1.00 1.00 H new ATOM 0 HB2 PRO A 21 7.800 -8.003 6.807 1.00 1.00 H new ATOM 0 HB3 PRO A 21 7.806 -8.070 5.056 1.00 1.00 H new ATOM 0 HG2 PRO A 21 9.832 -6.863 6.913 1.00 1.00 H new ATOM 0 HG3 PRO A 21 10.089 -7.770 5.436 1.00 1.00 H new ATOM 0 HD2 PRO A 21 10.276 -5.047 5.516 1.00 1.00 H new ATOM 0 HD3 PRO A 21 9.767 -5.899 4.072 1.00 1.00 H new ATOM 424 N SER A 22 7.686 -5.161 8.027 1.00 1.00 N ATOM 425 CA SER A 22 7.407 -4.766 9.398 1.00 1.00 C ATOM 426 C SER A 22 6.574 -3.488 9.444 1.00 1.00 C ATOM 427 O SER A 22 6.091 -3.081 10.507 1.00 1.00 O ATOM 428 CB SER A 22 8.727 -4.580 10.147 1.00 1.00 C ATOM 429 OG SER A 22 9.677 -3.902 9.337 1.00 1.00 O ATOM 0 H SER A 22 8.638 -4.962 7.721 1.00 1.00 H new ATOM 0 HA SER A 22 6.825 -5.551 9.881 1.00 1.00 H new ATOM 0 HB2 SER A 22 8.554 -4.014 11.063 1.00 1.00 H new ATOM 0 HB3 SER A 22 9.122 -5.552 10.443 1.00 1.00 H new ATOM 0 HG SER A 22 10.513 -3.792 9.836 1.00 1.00 H new ATOM 435 N THR A 23 6.406 -2.869 8.283 1.00 1.00 N ATOM 436 CA THR A 23 5.633 -1.648 8.158 1.00 1.00 C ATOM 437 C THR A 23 4.150 -1.908 8.401 1.00 1.00 C ATOM 438 O THR A 23 3.572 -2.847 7.850 1.00 1.00 O ATOM 439 CB THR A 23 5.823 -1.028 6.761 1.00 1.00 C ATOM 440 OG1 THR A 23 7.215 -0.778 6.534 1.00 1.00 O ATOM 441 CG2 THR A 23 5.043 0.269 6.617 1.00 1.00 C ATOM 0 H THR A 23 6.803 -3.202 7.404 1.00 1.00 H new ATOM 0 HA THR A 23 5.994 -0.951 8.914 1.00 1.00 H new ATOM 0 HB THR A 23 5.444 -1.734 6.022 1.00 1.00 H new ATOM 0 HG1 THR A 23 7.407 0.170 6.692 1.00 1.00 H new ATOM 0 HG21 THR A 23 5.200 0.679 5.619 1.00 1.00 H new ATOM 0 HG22 THR A 23 3.981 0.073 6.766 1.00 1.00 H new ATOM 0 HG23 THR A 23 5.388 0.986 7.362 1.00 1.00 H new ATOM 449 N MET A 24 3.549 -1.082 9.241 1.00 1.00 N ATOM 450 CA MET A 24 2.124 -1.162 9.507 1.00 1.00 C ATOM 451 C MET A 24 1.358 -0.446 8.404 1.00 1.00 C ATOM 452 O MET A 24 1.891 0.455 7.757 1.00 1.00 O ATOM 453 CB MET A 24 1.802 -0.549 10.869 1.00 1.00 C ATOM 454 CG MET A 24 2.545 -1.210 12.020 1.00 1.00 C ATOM 455 SD MET A 24 2.158 -0.468 13.618 1.00 1.00 S ATOM 456 CE MET A 24 0.406 -0.816 13.734 1.00 1.00 C ATOM 0 H MET A 24 4.031 -0.343 9.753 1.00 1.00 H new ATOM 0 HA MET A 24 1.822 -2.209 9.526 1.00 1.00 H new ATOM 0 HB2 MET A 24 2.049 0.512 10.849 1.00 1.00 H new ATOM 0 HB3 MET A 24 0.729 -0.623 11.048 1.00 1.00 H new ATOM 0 HG2 MET A 24 2.295 -2.271 12.047 1.00 1.00 H new ATOM 0 HG3 MET A 24 3.618 -1.140 11.842 1.00 1.00 H new ATOM 0 HE1 MET A 24 0.094 -0.769 14.777 1.00 1.00 H new ATOM 0 HE2 MET A 24 -0.151 -0.079 13.156 1.00 1.00 H new ATOM 0 HE3 MET A 24 0.206 -1.812 13.340 1.00 1.00 H new ATOM 466 N VAL A 25 0.112 -0.841 8.196 1.00 1.00 N ATOM 467 CA VAL A 25 -0.685 -0.337 7.083 1.00 1.00 C ATOM 468 C VAL A 25 -0.830 1.186 7.105 1.00 1.00 C ATOM 469 O VAL A 25 -0.707 1.834 6.064 1.00 1.00 O ATOM 470 CB VAL A 25 -2.078 -0.993 7.057 1.00 1.00 C ATOM 471 CG1 VAL A 25 -2.943 -0.390 5.958 1.00 1.00 C ATOM 472 CG2 VAL A 25 -1.942 -2.496 6.867 1.00 1.00 C ATOM 0 H VAL A 25 -0.375 -1.515 8.787 1.00 1.00 H new ATOM 0 HA VAL A 25 -0.144 -0.604 6.175 1.00 1.00 H new ATOM 0 HB VAL A 25 -2.568 -0.802 8.012 1.00 1.00 H new ATOM 0 HG11 VAL A 25 -3.922 -0.870 5.960 1.00 1.00 H new ATOM 0 HG12 VAL A 25 -3.063 0.679 6.135 1.00 1.00 H new ATOM 0 HG13 VAL A 25 -2.464 -0.547 4.991 1.00 1.00 H new ATOM 0 HG21 VAL A 25 -2.932 -2.952 6.850 1.00 1.00 H new ATOM 0 HG22 VAL A 25 -1.433 -2.699 5.925 1.00 1.00 H new ATOM 0 HG23 VAL A 25 -1.364 -2.916 7.690 1.00 1.00 H new ATOM 482 N TYR A 26 -1.071 1.766 8.280 1.00 1.00 N ATOM 483 CA TYR A 26 -1.235 3.217 8.380 1.00 1.00 C ATOM 484 C TYR A 26 0.054 3.921 7.970 1.00 1.00 C ATOM 485 O TYR A 26 0.035 5.004 7.386 1.00 1.00 O ATOM 486 CB TYR A 26 -1.634 3.635 9.806 1.00 1.00 C ATOM 487 CG TYR A 26 -0.491 3.673 10.800 1.00 1.00 C ATOM 488 CD1 TYR A 26 -0.016 2.513 11.395 1.00 1.00 C ATOM 489 CD2 TYR A 26 0.115 4.878 11.138 1.00 1.00 C ATOM 490 CE1 TYR A 26 1.030 2.552 12.297 1.00 1.00 C ATOM 491 CE2 TYR A 26 1.161 4.923 12.038 1.00 1.00 C ATOM 492 CZ TYR A 26 1.614 3.758 12.614 1.00 1.00 C ATOM 493 OH TYR A 26 2.660 3.799 13.510 1.00 1.00 O ATOM 0 H TYR A 26 -1.156 1.264 9.164 1.00 1.00 H new ATOM 0 HA TYR A 26 -2.036 3.513 7.703 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -2.094 4.622 9.765 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -2.393 2.944 10.173 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -0.471 1.565 11.149 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -0.239 5.794 10.689 1.00 1.00 H new ATOM 0 HE1 TYR A 26 1.388 1.640 12.752 1.00 1.00 H new ATOM 0 HE2 TYR A 26 1.621 5.867 12.289 1.00 1.00 H new ATOM 0 HH TYR A 26 2.958 4.726 13.622 1.00 1.00 H new ATOM 503 N ASP A 27 1.173 3.270 8.250 1.00 1.00 N ATOM 504 CA ASP A 27 2.485 3.831 7.953 1.00 1.00 C ATOM 505 C ASP A 27 2.808 3.651 6.476 1.00 1.00 C ATOM 506 O ASP A 27 3.464 4.491 5.864 1.00 1.00 O ATOM 507 CB ASP A 27 3.553 3.173 8.829 1.00 1.00 C ATOM 508 CG ASP A 27 4.931 3.784 8.653 1.00 1.00 C ATOM 509 OD1 ASP A 27 5.058 5.022 8.761 1.00 1.00 O ATOM 510 OD2 ASP A 27 5.899 3.025 8.429 1.00 1.00 O ATOM 0 H ASP A 27 1.200 2.348 8.685 1.00 1.00 H new ATOM 0 HA ASP A 27 2.474 4.898 8.175 1.00 1.00 H new ATOM 0 HB2 ASP A 27 3.257 3.255 9.875 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.602 2.110 8.594 1.00 1.00 H new ATOM 515 N ALA A 28 2.321 2.557 5.905 1.00 1.00 N ATOM 516 CA ALA A 28 2.456 2.316 4.476 1.00 1.00 C ATOM 517 C ALA A 28 1.661 3.353 3.687 1.00 1.00 C ATOM 518 O ALA A 28 2.105 3.829 2.643 1.00 1.00 O ATOM 519 CB ALA A 28 1.993 0.912 4.128 1.00 1.00 C ATOM 0 H ALA A 28 1.828 1.822 6.412 1.00 1.00 H new ATOM 0 HA ALA A 28 3.508 2.407 4.206 1.00 1.00 H new ATOM 0 HB1 ALA A 28 2.101 0.749 3.056 1.00 1.00 H new ATOM 0 HB2 ALA A 28 2.599 0.185 4.669 1.00 1.00 H new ATOM 0 HB3 ALA A 28 0.947 0.794 4.410 1.00 1.00 H new ATOM 525 N CYS A 29 0.487 3.706 4.204 1.00 1.00 N ATOM 526 CA CYS A 29 -0.323 4.764 3.613 1.00 1.00 C ATOM 527 C CYS A 29 0.433 6.086 3.665 1.00 1.00 C ATOM 528 O CYS A 29 0.356 6.905 2.747 1.00 1.00 O ATOM 529 CB CYS A 29 -1.655 4.900 4.357 1.00 1.00 C ATOM 530 SG CYS A 29 -2.632 3.380 4.415 1.00 1.00 S ATOM 0 H CYS A 29 0.076 3.274 5.032 1.00 1.00 H new ATOM 0 HA CYS A 29 -0.528 4.505 2.574 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -1.456 5.230 5.377 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -2.247 5.681 3.879 1.00 1.00 H new ATOM 0 HG CYS A 29 -1.928 2.432 4.959 1.00 1.00 H new ATOM 536 N ARG A 30 1.181 6.272 4.745 1.00 1.00 N ATOM 537 CA ARG A 30 1.971 7.477 4.939 1.00 1.00 C ATOM 538 C ARG A 30 3.139 7.520 3.952 1.00 1.00 C ATOM 539 O ARG A 30 3.544 8.595 3.510 1.00 1.00 O ATOM 540 CB ARG A 30 2.489 7.533 6.377 1.00 1.00 C ATOM 541 CG ARG A 30 3.165 8.846 6.735 1.00 1.00 C ATOM 542 CD ARG A 30 3.820 8.774 8.103 1.00 1.00 C ATOM 543 NE ARG A 30 4.866 7.753 8.149 1.00 1.00 N ATOM 544 CZ ARG A 30 6.167 8.011 8.033 1.00 1.00 C ATOM 545 NH1 ARG A 30 6.599 9.259 7.880 1.00 1.00 N ATOM 546 NH2 ARG A 30 7.037 7.014 8.074 1.00 1.00 N ATOM 0 H ARG A 30 1.256 5.596 5.505 1.00 1.00 H new ATOM 0 HA ARG A 30 1.337 8.344 4.756 1.00 1.00 H new ATOM 0 HB2 ARG A 30 1.656 7.366 7.060 1.00 1.00 H new ATOM 0 HB3 ARG A 30 3.196 6.718 6.531 1.00 1.00 H new ATOM 0 HG2 ARG A 30 3.915 9.088 5.982 1.00 1.00 H new ATOM 0 HG3 ARG A 30 2.430 9.651 6.723 1.00 1.00 H new ATOM 0 HD2 ARG A 30 4.248 9.745 8.353 1.00 1.00 H new ATOM 0 HD3 ARG A 30 3.064 8.555 8.857 1.00 1.00 H new ATOM 0 HE ARG A 30 4.581 6.782 8.278 1.00 1.00 H new ATOM 0 HH11 ARG A 30 5.932 10.030 7.851 1.00 1.00 H new ATOM 0 HH12 ARG A 30 7.598 9.446 7.792 1.00 1.00 H new ATOM 0 HH21 ARG A 30 6.709 6.056 8.194 1.00 1.00 H new ATOM 0 HH22 ARG A 30 8.035 7.204 7.986 1.00 1.00 H new ATOM 560 N MET A 31 3.668 6.346 3.600 1.00 1.00 N ATOM 561 CA MET A 31 4.756 6.254 2.625 1.00 1.00 C ATOM 562 C MET A 31 4.322 6.815 1.279 1.00 1.00 C ATOM 563 O MET A 31 5.084 7.524 0.616 1.00 1.00 O ATOM 564 CB MET A 31 5.221 4.808 2.446 1.00 1.00 C ATOM 565 CG MET A 31 5.984 4.256 3.635 1.00 1.00 C ATOM 566 SD MET A 31 6.596 2.587 3.337 1.00 1.00 S ATOM 567 CE MET A 31 7.475 2.272 4.862 1.00 1.00 C ATOM 0 H MET A 31 3.361 5.448 3.975 1.00 1.00 H new ATOM 0 HA MET A 31 5.588 6.844 3.010 1.00 1.00 H new ATOM 0 HB2 MET A 31 4.352 4.177 2.260 1.00 1.00 H new ATOM 0 HB3 MET A 31 5.854 4.747 1.561 1.00 1.00 H new ATOM 0 HG2 MET A 31 6.823 4.913 3.863 1.00 1.00 H new ATOM 0 HG3 MET A 31 5.335 4.252 4.511 1.00 1.00 H new ATOM 0 HE1 MET A 31 7.867 1.255 4.853 1.00 1.00 H new ATOM 0 HE2 MET A 31 8.300 2.978 4.959 1.00 1.00 H new ATOM 0 HE3 MET A 31 6.795 2.391 5.705 1.00 1.00 H new ATOM 577 N ILE A 32 3.092 6.505 0.881 1.00 1.00 N ATOM 578 CA ILE A 32 2.534 7.044 -0.352 1.00 1.00 C ATOM 579 C ILE A 32 2.467 8.567 -0.283 1.00 1.00 C ATOM 580 O ILE A 32 2.688 9.253 -1.275 1.00 1.00 O ATOM 581 CB ILE A 32 1.128 6.458 -0.660 1.00 1.00 C ATOM 582 CG1 ILE A 32 1.250 4.997 -1.099 1.00 1.00 C ATOM 583 CG2 ILE A 32 0.420 7.276 -1.732 1.00 1.00 C ATOM 584 CD1 ILE A 32 1.992 4.831 -2.404 1.00 1.00 C ATOM 0 H ILE A 32 2.465 5.885 1.394 1.00 1.00 H new ATOM 0 HA ILE A 32 3.197 6.750 -1.165 1.00 1.00 H new ATOM 0 HB ILE A 32 0.531 6.505 0.251 1.00 1.00 H new ATOM 0 HG12 ILE A 32 1.764 4.432 -0.321 1.00 1.00 H new ATOM 0 HG13 ILE A 32 0.252 4.569 -1.198 1.00 1.00 H new ATOM 0 HG21 ILE A 32 -0.562 6.845 -1.929 1.00 1.00 H new ATOM 0 HG22 ILE A 32 0.303 8.303 -1.388 1.00 1.00 H new ATOM 0 HG23 ILE A 32 1.011 7.266 -2.648 1.00 1.00 H new ATOM 0 HD11 ILE A 32 2.045 3.773 -2.661 1.00 1.00 H new ATOM 0 HD12 ILE A 32 1.466 5.370 -3.192 1.00 1.00 H new ATOM 0 HD13 ILE A 32 3.001 5.230 -2.302 1.00 1.00 H new ATOM 596 N ARG A 33 2.206 9.088 0.906 1.00 1.00 N ATOM 597 CA ARG A 33 2.120 10.527 1.110 1.00 1.00 C ATOM 598 C ARG A 33 3.499 11.179 1.033 1.00 1.00 C ATOM 599 O ARG A 33 3.621 12.351 0.671 1.00 1.00 O ATOM 600 CB ARG A 33 1.434 10.834 2.444 1.00 1.00 C ATOM 601 CG ARG A 33 0.005 10.322 2.490 1.00 1.00 C ATOM 602 CD ARG A 33 -0.756 10.810 3.712 1.00 1.00 C ATOM 603 NE ARG A 33 -2.166 10.434 3.631 1.00 1.00 N ATOM 604 CZ ARG A 33 -3.182 11.233 3.959 1.00 1.00 C ATOM 605 NH1 ARG A 33 -2.956 12.430 4.486 1.00 1.00 N ATOM 606 NH2 ARG A 33 -4.430 10.817 3.778 1.00 1.00 N ATOM 0 H ARG A 33 2.049 8.534 1.748 1.00 1.00 H new ATOM 0 HA ARG A 33 1.515 10.952 0.309 1.00 1.00 H new ATOM 0 HB2 ARG A 33 2.005 10.383 3.256 1.00 1.00 H new ATOM 0 HB3 ARG A 33 1.437 11.911 2.612 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -0.520 10.641 1.589 1.00 1.00 H new ATOM 0 HG3 ARG A 33 0.014 9.232 2.484 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -0.314 10.387 4.614 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -0.668 11.894 3.792 1.00 1.00 H new ATOM 0 HE ARG A 33 -2.388 9.495 3.301 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -1.999 12.746 4.643 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -3.739 13.034 4.734 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -4.608 9.891 3.390 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -5.211 11.424 4.027 1.00 1.00 H new ATOM 620 N GLU A 34 4.533 10.421 1.377 1.00 1.00 N ATOM 621 CA GLU A 34 5.903 10.915 1.282 1.00 1.00 C ATOM 622 C GLU A 34 6.344 11.004 -0.173 1.00 1.00 C ATOM 623 O GLU A 34 6.899 12.010 -0.607 1.00 1.00 O ATOM 624 CB GLU A 34 6.874 9.997 2.026 1.00 1.00 C ATOM 625 CG GLU A 34 6.547 9.785 3.491 1.00 1.00 C ATOM 626 CD GLU A 34 7.627 8.997 4.197 1.00 1.00 C ATOM 627 OE1 GLU A 34 7.741 7.777 3.952 1.00 1.00 O ATOM 628 OE2 GLU A 34 8.385 9.598 4.987 1.00 1.00 O ATOM 0 H GLU A 34 4.451 9.465 1.723 1.00 1.00 H new ATOM 0 HA GLU A 34 5.919 11.906 1.736 1.00 1.00 H new ATOM 0 HB2 GLU A 34 6.891 9.028 1.527 1.00 1.00 H new ATOM 0 HB3 GLU A 34 7.878 10.413 1.948 1.00 1.00 H new ATOM 0 HG2 GLU A 34 6.423 10.751 3.980 1.00 1.00 H new ATOM 0 HG3 GLU A 34 5.596 9.259 3.579 1.00 1.00 H new ATOM 635 N ARG A 35 6.091 9.936 -0.921 1.00 1.00 N ATOM 636 CA ARG A 35 6.592 9.816 -2.285 1.00 1.00 C ATOM 637 C ARG A 35 5.662 10.477 -3.295 1.00 1.00 C ATOM 638 O ARG A 35 6.095 10.881 -4.374 1.00 1.00 O ATOM 639 CB ARG A 35 6.775 8.341 -2.646 1.00 1.00 C ATOM 640 CG ARG A 35 7.743 7.605 -1.734 1.00 1.00 C ATOM 641 CD ARG A 35 9.152 8.157 -1.849 1.00 1.00 C ATOM 642 NE ARG A 35 10.090 7.438 -0.992 1.00 1.00 N ATOM 643 CZ ARG A 35 11.220 6.879 -1.423 1.00 1.00 C ATOM 644 NH1 ARG A 35 11.536 6.915 -2.716 1.00 1.00 N ATOM 645 NH2 ARG A 35 12.027 6.269 -0.564 1.00 1.00 N ATOM 0 H ARG A 35 5.540 9.138 -0.604 1.00 1.00 H new ATOM 0 HA ARG A 35 7.551 10.332 -2.327 1.00 1.00 H new ATOM 0 HB2 ARG A 35 5.806 7.844 -2.609 1.00 1.00 H new ATOM 0 HB3 ARG A 35 7.131 8.269 -3.674 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.403 7.686 -0.701 1.00 1.00 H new ATOM 0 HG3 ARG A 35 7.746 6.545 -1.986 1.00 1.00 H new ATOM 0 HD2 ARG A 35 9.484 8.092 -2.885 1.00 1.00 H new ATOM 0 HD3 ARG A 35 9.151 9.213 -1.580 1.00 1.00 H new ATOM 0 HE ARG A 35 9.866 7.359 -0.000 1.00 1.00 H new ATOM 0 HH11 ARG A 35 10.912 7.372 -3.381 1.00 1.00 H new ATOM 0 HH12 ARG A 35 12.402 6.486 -3.041 1.00 1.00 H new ATOM 0 HH21 ARG A 35 11.782 6.228 0.425 1.00 1.00 H new ATOM 0 HH22 ARG A 35 12.892 5.841 -0.893 1.00 1.00 H new ATOM 659 N ILE A 36 4.388 10.568 -2.953 1.00 1.00 N ATOM 660 CA ILE A 36 3.389 11.123 -3.853 1.00 1.00 C ATOM 661 C ILE A 36 2.598 12.216 -3.144 1.00 1.00 C ATOM 662 O ILE A 36 2.029 11.986 -2.077 1.00 1.00 O ATOM 663 CB ILE A 36 2.417 10.023 -4.343 1.00 1.00 C ATOM 664 CG1 ILE A 36 3.201 8.840 -4.920 1.00 1.00 C ATOM 665 CG2 ILE A 36 1.452 10.578 -5.381 1.00 1.00 C ATOM 666 CD1 ILE A 36 2.337 7.646 -5.256 1.00 1.00 C ATOM 0 H ILE A 36 4.018 10.263 -2.053 1.00 1.00 H new ATOM 0 HA ILE A 36 3.906 11.545 -4.715 1.00 1.00 H new ATOM 0 HB ILE A 36 1.835 9.674 -3.490 1.00 1.00 H new ATOM 0 HG12 ILE A 36 3.722 9.165 -5.820 1.00 1.00 H new ATOM 0 HG13 ILE A 36 3.963 8.536 -4.203 1.00 1.00 H new ATOM 0 HG21 ILE A 36 0.778 9.787 -5.711 1.00 1.00 H new ATOM 0 HG22 ILE A 36 0.872 11.389 -4.941 1.00 1.00 H new ATOM 0 HG23 ILE A 36 2.014 10.956 -6.235 1.00 1.00 H new ATOM 0 HD11 ILE A 36 2.960 6.848 -5.659 1.00 1.00 H new ATOM 0 HD12 ILE A 36 1.836 7.294 -4.354 1.00 1.00 H new ATOM 0 HD13 ILE A 36 1.591 7.934 -5.997 1.00 1.00 H new ATOM 678 N PRO A 37 2.531 13.420 -3.731 1.00 1.00 N ATOM 679 CA PRO A 37 1.847 14.561 -3.115 1.00 1.00 C ATOM 680 C PRO A 37 0.341 14.410 -3.204 1.00 1.00 C ATOM 681 O PRO A 37 -0.407 14.991 -2.418 1.00 1.00 O ATOM 682 CB PRO A 37 2.302 15.726 -3.985 1.00 1.00 C ATOM 683 CG PRO A 37 2.417 15.101 -5.324 1.00 1.00 C ATOM 684 CD PRO A 37 3.080 13.776 -5.058 1.00 1.00 C ATOM 0 HA PRO A 37 2.077 14.675 -2.056 1.00 1.00 H new ATOM 0 HB2 PRO A 37 1.580 16.543 -3.979 1.00 1.00 H new ATOM 0 HB3 PRO A 37 3.253 16.138 -3.647 1.00 1.00 H new ATOM 0 HG2 PRO A 37 1.439 14.971 -5.788 1.00 1.00 H new ATOM 0 HG3 PRO A 37 3.012 15.715 -6.000 1.00 1.00 H new ATOM 0 HD2 PRO A 37 2.829 13.034 -5.816 1.00 1.00 H new ATOM 0 HD3 PRO A 37 4.167 13.859 -5.041 1.00 1.00 H new ATOM 692 N GLU A 38 -0.093 13.614 -4.173 1.00 1.00 N ATOM 693 CA GLU A 38 -1.504 13.434 -4.444 1.00 1.00 C ATOM 694 C GLU A 38 -2.197 12.782 -3.254 1.00 1.00 C ATOM 695 O GLU A 38 -3.374 13.017 -2.996 1.00 1.00 O ATOM 696 CB GLU A 38 -1.709 12.578 -5.691 1.00 1.00 C ATOM 697 CG GLU A 38 -1.054 13.149 -6.935 1.00 1.00 C ATOM 698 CD GLU A 38 -1.347 12.326 -8.167 1.00 1.00 C ATOM 699 OE1 GLU A 38 -0.714 11.264 -8.344 1.00 1.00 O ATOM 700 OE2 GLU A 38 -2.212 12.737 -8.969 1.00 1.00 O ATOM 0 H GLU A 38 0.523 13.080 -4.787 1.00 1.00 H new ATOM 0 HA GLU A 38 -1.942 14.417 -4.616 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -1.310 11.580 -5.506 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -2.778 12.466 -5.873 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -1.404 14.170 -7.091 1.00 1.00 H new ATOM 0 HG3 GLU A 38 0.024 13.201 -6.784 1.00 1.00 H new ATOM 707 N ALA A 39 -1.442 11.968 -2.527 1.00 1.00 N ATOM 708 CA ALA A 39 -1.952 11.276 -1.352 1.00 1.00 C ATOM 709 C ALA A 39 -2.342 12.252 -0.245 1.00 1.00 C ATOM 710 O ALA A 39 -3.152 11.928 0.625 1.00 1.00 O ATOM 711 CB ALA A 39 -0.900 10.313 -0.848 1.00 1.00 C ATOM 0 H ALA A 39 -0.463 11.770 -2.735 1.00 1.00 H new ATOM 0 HA ALA A 39 -2.852 10.732 -1.638 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -1.276 9.791 0.032 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -0.667 9.588 -1.628 1.00 1.00 H new ATOM 0 HB3 ALA A 39 0.002 10.865 -0.585 1.00 1.00 H new ATOM 717 N LEU A 40 -1.776 13.451 -0.297 1.00 1.00 N ATOM 718 CA LEU A 40 -2.009 14.470 0.722 1.00 1.00 C ATOM 719 C LEU A 40 -3.255 15.293 0.402 1.00 1.00 C ATOM 720 O LEU A 40 -3.415 16.412 0.887 1.00 1.00 O ATOM 721 CB LEU A 40 -0.787 15.388 0.817 1.00 1.00 C ATOM 722 CG LEU A 40 0.494 14.711 1.309 1.00 1.00 C ATOM 723 CD1 LEU A 40 1.697 15.612 1.085 1.00 1.00 C ATOM 724 CD2 LEU A 40 0.371 14.356 2.781 1.00 1.00 C ATOM 0 H LEU A 40 -1.145 13.745 -1.043 1.00 1.00 H new ATOM 0 HA LEU A 40 -2.169 13.972 1.678 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -0.598 15.819 -0.166 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.024 16.215 1.487 1.00 1.00 H new ATOM 0 HG LEU A 40 0.639 13.794 0.737 1.00 1.00 H new ATOM 0 HD11 LEU A 40 2.597 15.112 1.442 1.00 1.00 H new ATOM 0 HD12 LEU A 40 1.798 15.826 0.021 1.00 1.00 H new ATOM 0 HD13 LEU A 40 1.560 16.545 1.631 1.00 1.00 H new ATOM 0 HD21 LEU A 40 1.290 13.875 3.117 1.00 1.00 H new ATOM 0 HD22 LEU A 40 0.203 15.263 3.361 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -0.468 13.675 2.922 1.00 1.00 H new ATOM 736 N ALA A 41 -4.145 14.723 -0.399 1.00 1.00 N ATOM 737 CA ALA A 41 -5.354 15.417 -0.824 1.00 1.00 C ATOM 738 C ALA A 41 -6.395 15.479 0.290 1.00 1.00 C ATOM 739 O ALA A 41 -7.317 16.296 0.241 1.00 1.00 O ATOM 740 CB ALA A 41 -5.939 14.741 -2.052 1.00 1.00 C ATOM 0 H ALA A 41 -4.052 13.777 -0.769 1.00 1.00 H new ATOM 0 HA ALA A 41 -5.077 16.442 -1.072 1.00 1.00 H new ATOM 0 HB1 ALA A 41 -6.842 15.267 -2.362 1.00 1.00 H new ATOM 0 HB2 ALA A 41 -5.210 14.764 -2.862 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -6.185 13.706 -1.815 1.00 1.00 H new ATOM 746 N GLY A 42 -6.251 14.627 1.294 1.00 1.00 N ATOM 747 CA GLY A 42 -7.230 14.587 2.361 1.00 1.00 C ATOM 748 C GLY A 42 -6.672 14.035 3.658 1.00 1.00 C ATOM 749 O GLY A 42 -5.496 13.665 3.724 1.00 1.00 O ATOM 0 H GLY A 42 -5.479 13.967 1.389 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.611 15.593 2.535 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -8.076 13.976 2.047 1.00 1.00 H new ATOM 753 N PRO A 43 -7.507 13.962 4.706 1.00 1.00 N ATOM 754 CA PRO A 43 -7.103 13.480 6.034 1.00 1.00 C ATOM 755 C PRO A 43 -6.649 12.041 6.027 1.00 1.00 C ATOM 756 O PRO A 43 -7.053 11.243 5.178 1.00 1.00 O ATOM 757 CB PRO A 43 -8.365 13.651 6.892 1.00 1.00 C ATOM 758 CG PRO A 43 -9.235 14.591 6.130 1.00 1.00 C ATOM 759 CD PRO A 43 -8.927 14.350 4.681 1.00 1.00 C ATOM 0 HA PRO A 43 -6.244 14.035 6.411 1.00 1.00 H new ATOM 0 HB2 PRO A 43 -8.864 12.695 7.052 1.00 1.00 H new ATOM 0 HB3 PRO A 43 -8.120 14.051 7.876 1.00 1.00 H new ATOM 0 HG2 PRO A 43 -10.288 14.407 6.342 1.00 1.00 H new ATOM 0 HG3 PRO A 43 -9.030 15.625 6.407 1.00 1.00 H new ATOM 0 HD2 PRO A 43 -9.553 13.563 4.260 1.00 1.00 H new ATOM 0 HD3 PRO A 43 -9.091 15.244 4.079 1.00 1.00 H new ATOM 767 N PRO A 44 -5.770 11.701 6.973 1.00 1.00 N ATOM 768 CA PRO A 44 -5.157 10.390 7.022 1.00 1.00 C ATOM 769 C PRO A 44 -6.172 9.265 7.221 1.00 1.00 C ATOM 770 O PRO A 44 -6.080 8.217 6.585 1.00 1.00 O ATOM 771 CB PRO A 44 -4.192 10.467 8.207 1.00 1.00 C ATOM 772 CG PRO A 44 -4.667 11.618 9.023 1.00 1.00 C ATOM 773 CD PRO A 44 -5.287 12.580 8.053 1.00 1.00 C ATOM 0 HA PRO A 44 -4.663 10.153 6.080 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -4.204 9.543 8.785 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -3.167 10.619 7.870 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -5.392 11.295 9.770 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -3.841 12.083 9.561 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -6.101 13.143 8.509 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -4.562 13.307 7.687 1.00 1.00 H new ATOM 781 N ASN A 45 -7.158 9.499 8.084 1.00 1.00 N ATOM 782 CA ASN A 45 -8.159 8.479 8.397 1.00 1.00 C ATOM 783 C ASN A 45 -9.309 8.515 7.395 1.00 1.00 C ATOM 784 O ASN A 45 -10.343 7.877 7.594 1.00 1.00 O ATOM 785 CB ASN A 45 -8.703 8.667 9.819 1.00 1.00 C ATOM 786 CG ASN A 45 -7.640 8.483 10.887 1.00 1.00 C ATOM 787 OD1 ASN A 45 -6.993 9.442 11.310 1.00 1.00 O ATOM 788 ND2 ASN A 45 -7.456 7.250 11.335 1.00 1.00 N ATOM 0 H ASN A 45 -7.286 10.382 8.578 1.00 1.00 H new ATOM 0 HA ASN A 45 -7.670 7.507 8.332 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -9.133 9.665 9.909 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -9.511 7.955 9.991 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -6.758 7.068 12.056 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -8.012 6.482 10.959 1.00 1.00 H new ATOM 795 N ASP A 46 -9.119 9.261 6.316 1.00 1.00 N ATOM 796 CA ASP A 46 -10.127 9.374 5.269 1.00 1.00 C ATOM 797 C ASP A 46 -9.721 8.529 4.064 1.00 1.00 C ATOM 798 O ASP A 46 -10.551 8.131 3.247 1.00 1.00 O ATOM 799 CB ASP A 46 -10.299 10.843 4.871 1.00 1.00 C ATOM 800 CG ASP A 46 -11.488 11.077 3.964 1.00 1.00 C ATOM 801 OD1 ASP A 46 -12.623 10.739 4.367 1.00 1.00 O ATOM 802 OD2 ASP A 46 -11.307 11.641 2.868 1.00 1.00 O ATOM 0 H ASP A 46 -8.271 9.800 6.141 1.00 1.00 H new ATOM 0 HA ASP A 46 -11.082 9.003 5.643 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -10.412 11.446 5.772 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -9.394 11.186 4.369 1.00 1.00 H new ATOM 807 N PHE A 47 -8.429 8.241 3.981 1.00 1.00 N ATOM 808 CA PHE A 47 -7.884 7.395 2.925 1.00 1.00 C ATOM 809 C PHE A 47 -7.472 6.048 3.505 1.00 1.00 C ATOM 810 O PHE A 47 -7.595 5.828 4.710 1.00 1.00 O ATOM 811 CB PHE A 47 -6.670 8.065 2.273 1.00 1.00 C ATOM 812 CG PHE A 47 -6.999 9.237 1.392 1.00 1.00 C ATOM 813 CD1 PHE A 47 -7.480 10.420 1.931 1.00 1.00 C ATOM 814 CD2 PHE A 47 -6.826 9.154 0.020 1.00 1.00 C ATOM 815 CE1 PHE A 47 -7.780 11.496 1.118 1.00 1.00 C ATOM 816 CE2 PHE A 47 -7.123 10.227 -0.797 1.00 1.00 C ATOM 817 CZ PHE A 47 -7.601 11.399 -0.248 1.00 1.00 C ATOM 0 H PHE A 47 -7.731 8.585 4.640 1.00 1.00 H new ATOM 0 HA PHE A 47 -8.653 7.247 2.167 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -5.990 8.397 3.058 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -6.136 7.322 1.682 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -7.622 10.502 2.999 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -6.454 8.239 -0.416 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -8.154 12.412 1.550 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -6.981 10.149 -1.865 1.00 1.00 H new ATOM 0 HZ PHE A 47 -7.835 12.239 -0.885 1.00 1.00 H new ATOM 827 N GLY A 48 -6.994 5.150 2.657 1.00 1.00 N ATOM 828 CA GLY A 48 -6.531 3.865 3.140 1.00 1.00 C ATOM 829 C GLY A 48 -6.017 2.974 2.031 1.00 1.00 C ATOM 830 O GLY A 48 -6.092 3.333 0.853 1.00 1.00 O ATOM 0 H GLY A 48 -6.918 5.286 1.649 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -5.738 4.021 3.872 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -7.347 3.360 3.657 1.00 1.00 H new ATOM 834 N LEU A 49 -5.488 1.818 2.411 1.00 1.00 N ATOM 835 CA LEU A 49 -5.008 0.837 1.451 1.00 1.00 C ATOM 836 C LEU A 49 -6.074 -0.216 1.192 1.00 1.00 C ATOM 837 O LEU A 49 -6.613 -0.814 2.126 1.00 1.00 O ATOM 838 CB LEU A 49 -3.728 0.158 1.949 1.00 1.00 C ATOM 839 CG LEU A 49 -2.493 1.054 2.026 1.00 1.00 C ATOM 840 CD1 LEU A 49 -1.305 0.272 2.562 1.00 1.00 C ATOM 841 CD2 LEU A 49 -2.167 1.637 0.660 1.00 1.00 C ATOM 0 H LEU A 49 -5.381 1.537 3.386 1.00 1.00 H new ATOM 0 HA LEU A 49 -4.785 1.362 0.522 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -3.918 -0.254 2.940 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -3.505 -0.683 1.292 1.00 1.00 H new ATOM 0 HG LEU A 49 -2.708 1.876 2.709 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -0.433 0.924 2.611 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -1.536 -0.102 3.560 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -1.094 -0.568 1.900 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -1.284 2.272 0.737 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -1.972 0.828 -0.044 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -3.011 2.230 0.307 1.00 1.00 H new ATOM 853 N PHE A 50 -6.365 -0.438 -0.074 1.00 1.00 N ATOM 854 CA PHE A 50 -7.368 -1.410 -0.470 1.00 1.00 C ATOM 855 C PHE A 50 -6.715 -2.541 -1.252 1.00 1.00 C ATOM 856 O PHE A 50 -6.260 -2.344 -2.376 1.00 1.00 O ATOM 857 CB PHE A 50 -8.454 -0.729 -1.312 1.00 1.00 C ATOM 858 CG PHE A 50 -9.470 -1.675 -1.886 1.00 1.00 C ATOM 859 CD1 PHE A 50 -10.498 -2.171 -1.103 1.00 1.00 C ATOM 860 CD2 PHE A 50 -9.397 -2.063 -3.214 1.00 1.00 C ATOM 861 CE1 PHE A 50 -11.434 -3.037 -1.633 1.00 1.00 C ATOM 862 CE2 PHE A 50 -10.330 -2.929 -3.750 1.00 1.00 C ATOM 863 CZ PHE A 50 -11.349 -3.417 -2.958 1.00 1.00 C ATOM 0 H PHE A 50 -5.918 0.045 -0.853 1.00 1.00 H new ATOM 0 HA PHE A 50 -7.833 -1.829 0.422 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -8.968 0.008 -0.695 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -7.978 -0.185 -2.128 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -10.569 -1.877 -0.066 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -8.601 -1.684 -3.838 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -12.232 -3.417 -1.012 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -10.262 -3.224 -4.787 1.00 1.00 H new ATOM 0 HZ PHE A 50 -12.079 -4.095 -3.374 1.00 1.00 H new ATOM 873 N LEU A 51 -6.654 -3.716 -0.647 1.00 1.00 N ATOM 874 CA LEU A 51 -6.057 -4.874 -1.291 1.00 1.00 C ATOM 875 C LEU A 51 -6.901 -5.257 -2.499 1.00 1.00 C ATOM 876 O LEU A 51 -8.060 -5.643 -2.357 1.00 1.00 O ATOM 877 CB LEU A 51 -5.963 -6.039 -0.294 1.00 1.00 C ATOM 878 CG LEU A 51 -4.814 -7.031 -0.526 1.00 1.00 C ATOM 879 CD1 LEU A 51 -4.715 -7.999 0.640 1.00 1.00 C ATOM 880 CD2 LEU A 51 -5.000 -7.799 -1.826 1.00 1.00 C ATOM 0 H LEU A 51 -7.012 -3.893 0.292 1.00 1.00 H new ATOM 0 HA LEU A 51 -5.047 -4.636 -1.625 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -5.863 -5.625 0.710 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -6.903 -6.590 -0.319 1.00 1.00 H new ATOM 0 HG LEU A 51 -3.888 -6.461 -0.600 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -3.897 -8.698 0.464 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -4.527 -7.444 1.559 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -5.650 -8.551 0.735 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -4.170 -8.493 -1.961 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -5.936 -8.356 -1.789 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -5.027 -7.099 -2.661 1.00 1.00 H new ATOM 892 N SER A 52 -6.327 -5.124 -3.683 1.00 1.00 N ATOM 893 CA SER A 52 -7.066 -5.340 -4.913 1.00 1.00 C ATOM 894 C SER A 52 -7.109 -6.817 -5.280 1.00 1.00 C ATOM 895 O SER A 52 -6.129 -7.545 -5.102 1.00 1.00 O ATOM 896 CB SER A 52 -6.429 -4.534 -6.041 1.00 1.00 C ATOM 897 OG SER A 52 -6.264 -3.181 -5.653 1.00 1.00 O ATOM 0 H SER A 52 -5.349 -4.867 -3.817 1.00 1.00 H new ATOM 0 HA SER A 52 -8.092 -5.005 -4.761 1.00 1.00 H new ATOM 0 HB2 SER A 52 -5.462 -4.964 -6.302 1.00 1.00 H new ATOM 0 HB3 SER A 52 -7.053 -4.589 -6.933 1.00 1.00 H new ATOM 0 HG SER A 52 -5.927 -2.662 -6.413 1.00 1.00 H new ATOM 903 N ASP A 53 -8.254 -7.250 -5.777 1.00 1.00 N ATOM 904 CA ASP A 53 -8.433 -8.619 -6.234 1.00 1.00 C ATOM 905 C ASP A 53 -9.200 -8.587 -7.551 1.00 1.00 C ATOM 906 O ASP A 53 -9.445 -7.511 -8.097 1.00 1.00 O ATOM 907 CB ASP A 53 -9.188 -9.441 -5.176 1.00 1.00 C ATOM 908 CG ASP A 53 -9.052 -10.942 -5.377 1.00 1.00 C ATOM 909 OD1 ASP A 53 -9.865 -11.529 -6.123 1.00 1.00 O ATOM 910 OD2 ASP A 53 -8.130 -11.543 -4.788 1.00 1.00 O ATOM 0 H ASP A 53 -9.084 -6.666 -5.876 1.00 1.00 H new ATOM 0 HA ASP A 53 -7.464 -9.095 -6.388 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.815 -9.178 -4.186 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -10.244 -9.171 -5.201 1.00 1.00 H new ATOM 915 N ASP A 54 -9.579 -9.743 -8.058 1.00 1.00 N ATOM 916 CA ASP A 54 -10.361 -9.816 -9.281 1.00 1.00 C ATOM 917 C ASP A 54 -11.835 -9.767 -8.934 1.00 1.00 C ATOM 918 O ASP A 54 -12.665 -9.331 -9.732 1.00 1.00 O ATOM 919 CB ASP A 54 -10.045 -11.093 -10.057 1.00 1.00 C ATOM 920 CG ASP A 54 -8.606 -11.147 -10.514 1.00 1.00 C ATOM 921 OD1 ASP A 54 -7.757 -11.646 -9.747 1.00 1.00 O ATOM 922 OD2 ASP A 54 -8.317 -10.694 -11.641 1.00 1.00 O ATOM 0 H ASP A 54 -9.359 -10.648 -7.643 1.00 1.00 H new ATOM 0 HA ASP A 54 -10.104 -8.967 -9.915 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -10.257 -11.958 -9.429 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -10.702 -11.160 -10.924 1.00 1.00 H new ATOM 927 N ASP A 55 -12.151 -10.223 -7.734 1.00 1.00 N ATOM 928 CA ASP A 55 -13.510 -10.163 -7.225 1.00 1.00 C ATOM 929 C ASP A 55 -13.648 -8.941 -6.322 1.00 1.00 C ATOM 930 O ASP A 55 -12.944 -8.823 -5.319 1.00 1.00 O ATOM 931 CB ASP A 55 -13.848 -11.447 -6.463 1.00 1.00 C ATOM 932 CG ASP A 55 -15.327 -11.577 -6.168 1.00 1.00 C ATOM 933 OD1 ASP A 55 -16.081 -11.996 -7.071 1.00 1.00 O ATOM 934 OD2 ASP A 55 -15.744 -11.277 -5.033 1.00 1.00 O ATOM 0 H ASP A 55 -11.480 -10.642 -7.090 1.00 1.00 H new ATOM 0 HA ASP A 55 -14.211 -10.074 -8.055 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -13.521 -12.308 -7.046 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -13.291 -11.466 -5.526 1.00 1.00 H new ATOM 939 N PRO A 56 -14.551 -8.013 -6.673 1.00 1.00 N ATOM 940 CA PRO A 56 -14.657 -6.699 -6.016 1.00 1.00 C ATOM 941 C PRO A 56 -14.882 -6.779 -4.505 1.00 1.00 C ATOM 942 O PRO A 56 -14.354 -5.961 -3.749 1.00 1.00 O ATOM 943 CB PRO A 56 -15.864 -6.043 -6.700 1.00 1.00 C ATOM 944 CG PRO A 56 -16.591 -7.154 -7.378 1.00 1.00 C ATOM 945 CD PRO A 56 -15.547 -8.167 -7.744 1.00 1.00 C ATOM 0 HA PRO A 56 -13.727 -6.141 -6.120 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -16.503 -5.542 -5.973 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -15.545 -5.287 -7.418 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -17.342 -7.589 -6.719 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -17.114 -6.795 -8.264 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -15.956 -9.177 -7.773 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -15.118 -7.969 -8.726 1.00 1.00 H new ATOM 953 N LYS A 57 -15.649 -7.766 -4.066 1.00 1.00 N ATOM 954 CA LYS A 57 -15.979 -7.902 -2.651 1.00 1.00 C ATOM 955 C LYS A 57 -14.920 -8.719 -1.911 1.00 1.00 C ATOM 956 O LYS A 57 -14.975 -8.858 -0.689 1.00 1.00 O ATOM 957 CB LYS A 57 -17.361 -8.539 -2.480 1.00 1.00 C ATOM 958 CG LYS A 57 -17.571 -9.756 -3.355 1.00 1.00 C ATOM 959 CD LYS A 57 -18.879 -10.464 -3.059 1.00 1.00 C ATOM 960 CE LYS A 57 -19.091 -11.624 -4.016 1.00 1.00 C ATOM 961 NZ LYS A 57 -17.910 -12.528 -4.055 1.00 1.00 N ATOM 0 H LYS A 57 -16.055 -8.484 -4.666 1.00 1.00 H new ATOM 0 HA LYS A 57 -15.998 -6.903 -2.215 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -17.496 -8.823 -1.436 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -18.126 -7.798 -2.711 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -17.554 -9.454 -4.402 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -16.744 -10.451 -3.210 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -18.876 -10.829 -2.032 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -19.707 -9.760 -3.144 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -19.972 -12.189 -3.713 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -19.288 -11.239 -5.017 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -18.205 -13.470 -4.382 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -17.199 -12.142 -4.708 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -17.500 -12.605 -3.102 1.00 1.00 H new ATOM 975 N LYS A 58 -13.958 -9.255 -2.652 1.00 1.00 N ATOM 976 CA LYS A 58 -12.858 -9.996 -2.047 1.00 1.00 C ATOM 977 C LYS A 58 -11.730 -9.052 -1.664 1.00 1.00 C ATOM 978 O LYS A 58 -10.901 -9.372 -0.808 1.00 1.00 O ATOM 979 CB LYS A 58 -12.343 -11.081 -2.993 1.00 1.00 C ATOM 980 CG LYS A 58 -13.264 -12.284 -3.092 1.00 1.00 C ATOM 981 CD LYS A 58 -13.379 -13.000 -1.758 1.00 1.00 C ATOM 982 CE LYS A 58 -14.329 -14.180 -1.839 1.00 1.00 C ATOM 983 NZ LYS A 58 -14.391 -14.924 -0.555 1.00 1.00 N ATOM 0 H LYS A 58 -13.917 -9.191 -3.669 1.00 1.00 H new ATOM 0 HA LYS A 58 -13.232 -10.480 -1.145 1.00 1.00 H new ATOM 0 HB2 LYS A 58 -12.210 -10.653 -3.986 1.00 1.00 H new ATOM 0 HB3 LYS A 58 -11.361 -11.412 -2.654 1.00 1.00 H new ATOM 0 HG2 LYS A 58 -14.252 -11.962 -3.421 1.00 1.00 H new ATOM 0 HG3 LYS A 58 -12.885 -12.974 -3.846 1.00 1.00 H new ATOM 0 HD2 LYS A 58 -12.394 -13.346 -1.444 1.00 1.00 H new ATOM 0 HD3 LYS A 58 -13.729 -12.301 -0.998 1.00 1.00 H new ATOM 0 HE2 LYS A 58 -15.326 -13.827 -2.104 1.00 1.00 H new ATOM 0 HE3 LYS A 58 -14.007 -14.852 -2.634 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 -15.050 -15.723 -0.648 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 -13.444 -15.282 -0.315 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 -14.722 -14.289 0.199 1.00 1.00 H new ATOM 997 N GLY A 59 -11.705 -7.892 -2.307 1.00 1.00 N ATOM 998 CA GLY A 59 -10.745 -6.871 -1.951 1.00 1.00 C ATOM 999 C GLY A 59 -11.045 -6.293 -0.586 1.00 1.00 C ATOM 1000 O GLY A 59 -12.194 -5.968 -0.287 1.00 1.00 O ATOM 0 H GLY A 59 -12.334 -7.642 -3.070 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -9.740 -7.294 -1.957 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -10.761 -6.077 -2.697 1.00 1.00 H new ATOM 1004 N ILE A 60 -10.029 -6.162 0.248 1.00 1.00 N ATOM 1005 CA ILE A 60 -10.238 -5.741 1.626 1.00 1.00 C ATOM 1006 C ILE A 60 -9.438 -4.491 1.967 1.00 1.00 C ATOM 1007 O ILE A 60 -8.341 -4.275 1.448 1.00 1.00 O ATOM 1008 CB ILE A 60 -9.868 -6.862 2.621 1.00 1.00 C ATOM 1009 CG1 ILE A 60 -8.435 -7.347 2.377 1.00 1.00 C ATOM 1010 CG2 ILE A 60 -10.857 -8.015 2.510 1.00 1.00 C ATOM 1011 CD1 ILE A 60 -7.990 -8.442 3.323 1.00 1.00 C ATOM 0 H ILE A 60 -9.056 -6.339 -0.000 1.00 1.00 H new ATOM 0 HA ILE A 60 -11.300 -5.514 1.717 1.00 1.00 H new ATOM 0 HB ILE A 60 -9.921 -6.461 3.633 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -8.354 -7.710 1.352 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -7.754 -6.501 2.470 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -10.584 -8.798 3.217 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -11.861 -7.656 2.736 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -10.835 -8.417 1.497 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -6.966 -8.732 3.088 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -8.037 -8.078 4.349 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.646 -9.306 3.214 1.00 1.00 H new ATOM 1023 N TRP A 61 -10.007 -3.665 2.830 1.00 1.00 N ATOM 1024 CA TRP A 61 -9.315 -2.502 3.358 1.00 1.00 C ATOM 1025 C TRP A 61 -8.429 -2.925 4.522 1.00 1.00 C ATOM 1026 O TRP A 61 -8.918 -3.445 5.524 1.00 1.00 O ATOM 1027 CB TRP A 61 -10.318 -1.445 3.818 1.00 1.00 C ATOM 1028 CG TRP A 61 -11.031 -0.772 2.693 1.00 1.00 C ATOM 1029 CD1 TRP A 61 -12.240 -1.119 2.176 1.00 1.00 C ATOM 1030 CD2 TRP A 61 -10.584 0.364 1.950 1.00 1.00 C ATOM 1031 NE1 TRP A 61 -12.576 -0.268 1.150 1.00 1.00 N ATOM 1032 CE2 TRP A 61 -11.573 0.653 0.995 1.00 1.00 C ATOM 1033 CE3 TRP A 61 -9.442 1.163 2.003 1.00 1.00 C ATOM 1034 CZ2 TRP A 61 -11.454 1.713 0.100 1.00 1.00 C ATOM 1035 CZ3 TRP A 61 -9.328 2.213 1.113 1.00 1.00 C ATOM 1036 CH2 TRP A 61 -10.326 2.479 0.177 1.00 1.00 C ATOM 0 H TRP A 61 -10.957 -3.781 3.182 1.00 1.00 H new ATOM 0 HA TRP A 61 -8.698 -2.069 2.571 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -11.052 -1.913 4.475 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -9.796 -0.692 4.409 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -12.847 -1.943 2.521 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -13.431 -0.314 0.596 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -8.663 0.965 2.725 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -12.225 1.921 -0.627 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -8.449 2.840 1.143 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -10.205 3.310 -0.503 1.00 1.00 H new ATOM 1047 N LEU A 62 -7.131 -2.718 4.379 1.00 1.00 N ATOM 1048 CA LEU A 62 -6.175 -3.161 5.384 1.00 1.00 C ATOM 1049 C LEU A 62 -6.282 -2.314 6.649 1.00 1.00 C ATOM 1050 O LEU A 62 -6.394 -1.088 6.579 1.00 1.00 O ATOM 1051 CB LEU A 62 -4.743 -3.108 4.835 1.00 1.00 C ATOM 1052 CG LEU A 62 -4.400 -4.130 3.741 1.00 1.00 C ATOM 1053 CD1 LEU A 62 -5.044 -3.758 2.416 1.00 1.00 C ATOM 1054 CD2 LEU A 62 -2.892 -4.249 3.582 1.00 1.00 C ATOM 0 H LEU A 62 -6.713 -2.246 3.577 1.00 1.00 H new ATOM 0 HA LEU A 62 -6.414 -4.194 5.637 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.564 -2.108 4.439 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -4.052 -3.250 5.666 1.00 1.00 H new ATOM 0 HG LEU A 62 -4.800 -5.096 4.048 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -4.782 -4.501 1.663 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -6.127 -3.727 2.534 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.686 -2.778 2.100 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -2.665 -4.977 2.803 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.478 -3.280 3.305 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -2.451 -4.576 4.524 1.00 1.00 H new ATOM 1066 N GLU A 63 -6.261 -2.975 7.799 1.00 1.00 N ATOM 1067 CA GLU A 63 -6.348 -2.292 9.086 1.00 1.00 C ATOM 1068 C GLU A 63 -5.058 -1.543 9.398 1.00 1.00 C ATOM 1069 O GLU A 63 -3.962 -2.069 9.213 1.00 1.00 O ATOM 1070 CB GLU A 63 -6.633 -3.292 10.207 1.00 1.00 C ATOM 1071 CG GLU A 63 -8.017 -3.914 10.158 1.00 1.00 C ATOM 1072 CD GLU A 63 -8.241 -4.885 11.300 1.00 1.00 C ATOM 1073 OE1 GLU A 63 -8.229 -4.448 12.472 1.00 1.00 O ATOM 1074 OE2 GLU A 63 -8.409 -6.092 11.035 1.00 1.00 O ATOM 0 H GLU A 63 -6.184 -3.990 7.868 1.00 1.00 H new ATOM 0 HA GLU A 63 -7.166 -1.575 9.022 1.00 1.00 H new ATOM 0 HB2 GLU A 63 -5.889 -4.088 10.165 1.00 1.00 H new ATOM 0 HB3 GLU A 63 -6.508 -2.789 11.166 1.00 1.00 H new ATOM 0 HG2 GLU A 63 -8.770 -3.127 10.198 1.00 1.00 H new ATOM 0 HG3 GLU A 63 -8.148 -4.433 9.209 1.00 1.00 H new ATOM 1081 N ALA A 64 -5.202 -0.321 9.896 1.00 1.00 N ATOM 1082 CA ALA A 64 -4.063 0.527 10.243 1.00 1.00 C ATOM 1083 C ALA A 64 -3.191 -0.126 11.309 1.00 1.00 C ATOM 1084 O ALA A 64 -1.968 0.015 11.295 1.00 1.00 O ATOM 1085 CB ALA A 64 -4.568 1.878 10.731 1.00 1.00 C ATOM 0 H ALA A 64 -6.109 0.112 10.071 1.00 1.00 H new ATOM 0 HA ALA A 64 -3.450 0.665 9.352 1.00 1.00 H new ATOM 0 HB1 ALA A 64 -3.720 2.512 10.990 1.00 1.00 H new ATOM 0 HB2 ALA A 64 -5.150 2.355 9.943 1.00 1.00 H new ATOM 0 HB3 ALA A 64 -5.196 1.736 11.610 1.00 1.00 H new ATOM 1091 N GLY A 65 -3.826 -0.855 12.219 1.00 1.00 N ATOM 1092 CA GLY A 65 -3.106 -1.480 13.312 1.00 1.00 C ATOM 1093 C GLY A 65 -2.473 -2.805 12.932 1.00 1.00 C ATOM 1094 O GLY A 65 -1.944 -3.515 13.792 1.00 1.00 O ATOM 0 H GLY A 65 -4.832 -1.025 12.219 1.00 1.00 H new ATOM 0 HA2 GLY A 65 -2.329 -0.801 13.662 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -3.790 -1.638 14.146 1.00 1.00 H new ATOM 1098 N LYS A 66 -2.519 -3.144 11.653 1.00 1.00 N ATOM 1099 CA LYS A 66 -1.901 -4.370 11.170 1.00 1.00 C ATOM 1100 C LYS A 66 -0.698 -4.035 10.301 1.00 1.00 C ATOM 1101 O LYS A 66 -0.579 -2.915 9.804 1.00 1.00 O ATOM 1102 CB LYS A 66 -2.910 -5.204 10.376 1.00 1.00 C ATOM 1103 CG LYS A 66 -4.176 -5.532 11.153 1.00 1.00 C ATOM 1104 CD LYS A 66 -3.874 -6.319 12.415 1.00 1.00 C ATOM 1105 CE LYS A 66 -5.093 -6.413 13.317 1.00 1.00 C ATOM 1106 NZ LYS A 66 -4.764 -7.032 14.626 1.00 1.00 N ATOM 0 H LYS A 66 -2.977 -2.588 10.931 1.00 1.00 H new ATOM 0 HA LYS A 66 -1.570 -4.956 12.027 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -3.181 -4.664 9.469 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -2.434 -6.134 10.064 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -4.691 -4.608 11.415 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -4.853 -6.106 10.520 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -3.539 -7.321 12.149 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -3.056 -5.843 12.955 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -5.503 -5.416 13.479 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -5.867 -6.999 12.822 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -5.621 -7.079 15.213 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -4.396 -7.993 14.473 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -4.044 -6.459 15.110 1.00 1.00 H new ATOM 1120 N ALA A 67 0.201 -4.993 10.132 1.00 1.00 N ATOM 1121 CA ALA A 67 1.378 -4.789 9.302 1.00 1.00 C ATOM 1122 C ALA A 67 1.162 -5.352 7.901 1.00 1.00 C ATOM 1123 O ALA A 67 0.226 -6.118 7.664 1.00 1.00 O ATOM 1124 CB ALA A 67 2.602 -5.423 9.945 1.00 1.00 C ATOM 0 H ALA A 67 0.138 -5.918 10.558 1.00 1.00 H new ATOM 0 HA ALA A 67 1.547 -3.716 9.215 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.472 -5.260 9.309 1.00 1.00 H new ATOM 0 HB2 ALA A 67 2.776 -4.970 10.921 1.00 1.00 H new ATOM 0 HB3 ALA A 67 2.436 -6.494 10.066 1.00 1.00 H new ATOM 1130 N LEU A 68 2.035 -4.972 6.980 1.00 1.00 N ATOM 1131 CA LEU A 68 1.951 -5.430 5.599 1.00 1.00 C ATOM 1132 C LEU A 68 2.259 -6.922 5.499 1.00 1.00 C ATOM 1133 O LEU A 68 1.652 -7.642 4.702 1.00 1.00 O ATOM 1134 CB LEU A 68 2.921 -4.636 4.726 1.00 1.00 C ATOM 1135 CG LEU A 68 2.682 -3.125 4.708 1.00 1.00 C ATOM 1136 CD1 LEU A 68 3.686 -2.440 3.800 1.00 1.00 C ATOM 1137 CD2 LEU A 68 1.260 -2.808 4.269 1.00 1.00 C ATOM 0 H LEU A 68 2.816 -4.343 7.165 1.00 1.00 H new ATOM 0 HA LEU A 68 0.933 -5.267 5.245 1.00 1.00 H new ATOM 0 HB2 LEU A 68 3.937 -4.824 5.073 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.858 -5.011 3.705 1.00 1.00 H new ATOM 0 HG LEU A 68 2.817 -2.746 5.721 1.00 1.00 H new ATOM 0 HD11 LEU A 68 3.502 -1.366 3.799 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.696 -2.635 4.162 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.583 -2.827 2.786 1.00 1.00 H new ATOM 0 HD21 LEU A 68 1.113 -1.728 4.264 1.00 1.00 H new ATOM 0 HD22 LEU A 68 1.092 -3.202 3.267 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.555 -3.267 4.962 1.00 1.00 H new ATOM 1149 N ASP A 69 3.196 -7.387 6.321 1.00 1.00 N ATOM 1150 CA ASP A 69 3.566 -8.800 6.337 1.00 1.00 C ATOM 1151 C ASP A 69 2.446 -9.640 6.936 1.00 1.00 C ATOM 1152 O ASP A 69 2.322 -10.832 6.650 1.00 1.00 O ATOM 1153 CB ASP A 69 4.860 -9.011 7.127 1.00 1.00 C ATOM 1154 CG ASP A 69 5.312 -10.458 7.130 1.00 1.00 C ATOM 1155 OD1 ASP A 69 5.777 -10.943 6.076 1.00 1.00 O ATOM 1156 OD2 ASP A 69 5.216 -11.117 8.189 1.00 1.00 O ATOM 0 H ASP A 69 3.712 -6.808 6.983 1.00 1.00 H new ATOM 0 HA ASP A 69 3.730 -9.118 5.308 1.00 1.00 H new ATOM 0 HB2 ASP A 69 5.647 -8.389 6.700 1.00 1.00 H new ATOM 0 HB3 ASP A 69 4.712 -8.678 8.154 1.00 1.00 H new ATOM 1161 N TYR A 70 1.616 -9.004 7.753 1.00 1.00 N ATOM 1162 CA TYR A 70 0.462 -9.665 8.351 1.00 1.00 C ATOM 1163 C TYR A 70 -0.500 -10.130 7.265 1.00 1.00 C ATOM 1164 O TYR A 70 -1.050 -11.229 7.324 1.00 1.00 O ATOM 1165 CB TYR A 70 -0.253 -8.707 9.296 1.00 1.00 C ATOM 1166 CG TYR A 70 -1.473 -9.300 9.959 1.00 1.00 C ATOM 1167 CD1 TYR A 70 -1.369 -10.404 10.796 1.00 1.00 C ATOM 1168 CD2 TYR A 70 -2.729 -8.755 9.746 1.00 1.00 C ATOM 1169 CE1 TYR A 70 -2.486 -10.946 11.401 1.00 1.00 C ATOM 1170 CE2 TYR A 70 -3.849 -9.289 10.347 1.00 1.00 C ATOM 1171 CZ TYR A 70 -3.725 -10.384 11.172 1.00 1.00 C ATOM 1172 OH TYR A 70 -4.844 -10.918 11.773 1.00 1.00 O ATOM 0 H TYR A 70 1.721 -8.025 8.018 1.00 1.00 H new ATOM 0 HA TYR A 70 0.808 -10.533 8.913 1.00 1.00 H new ATOM 0 HB2 TYR A 70 0.446 -8.383 10.067 1.00 1.00 H new ATOM 0 HB3 TYR A 70 -0.550 -7.817 8.740 1.00 1.00 H new ATOM 0 HD1 TYR A 70 -0.400 -10.845 10.976 1.00 1.00 H new ATOM 0 HD2 TYR A 70 -2.832 -7.897 9.098 1.00 1.00 H new ATOM 0 HE1 TYR A 70 -2.390 -11.804 12.049 1.00 1.00 H new ATOM 0 HE2 TYR A 70 -4.820 -8.850 10.171 1.00 1.00 H new ATOM 0 HH TYR A 70 -5.635 -10.404 11.508 1.00 1.00 H new ATOM 1182 N TYR A 71 -0.682 -9.278 6.271 1.00 1.00 N ATOM 1183 CA TYR A 71 -1.546 -9.578 5.142 1.00 1.00 C ATOM 1184 C TYR A 71 -0.787 -10.377 4.087 1.00 1.00 C ATOM 1185 O TYR A 71 -1.362 -10.810 3.086 1.00 1.00 O ATOM 1186 CB TYR A 71 -2.080 -8.279 4.543 1.00 1.00 C ATOM 1187 CG TYR A 71 -3.175 -7.630 5.361 1.00 1.00 C ATOM 1188 CD1 TYR A 71 -2.872 -6.731 6.377 1.00 1.00 C ATOM 1189 CD2 TYR A 71 -4.512 -7.912 5.112 1.00 1.00 C ATOM 1190 CE1 TYR A 71 -3.872 -6.134 7.120 1.00 1.00 C ATOM 1191 CE2 TYR A 71 -5.517 -7.316 5.850 1.00 1.00 C ATOM 1192 CZ TYR A 71 -5.192 -6.429 6.852 1.00 1.00 C ATOM 1193 OH TYR A 71 -6.192 -5.832 7.588 1.00 1.00 O ATOM 0 H TYR A 71 -0.237 -8.362 6.223 1.00 1.00 H new ATOM 0 HA TYR A 71 -2.385 -10.181 5.489 1.00 1.00 H new ATOM 0 HB2 TYR A 71 -1.255 -7.575 4.435 1.00 1.00 H new ATOM 0 HB3 TYR A 71 -2.460 -8.482 3.542 1.00 1.00 H new ATOM 0 HD1 TYR A 71 -1.839 -6.496 6.589 1.00 1.00 H new ATOM 0 HD2 TYR A 71 -4.771 -8.609 4.328 1.00 1.00 H new ATOM 0 HE1 TYR A 71 -3.621 -5.439 7.908 1.00 1.00 H new ATOM 0 HE2 TYR A 71 -6.552 -7.545 5.642 1.00 1.00 H new ATOM 0 HH TYR A 71 -7.064 -6.147 7.271 1.00 1.00 H new ATOM 1203 N MET A 72 0.508 -10.571 4.341 1.00 1.00 N ATOM 1204 CA MET A 72 1.394 -11.318 3.450 1.00 1.00 C ATOM 1205 C MET A 72 1.338 -10.773 2.030 1.00 1.00 C ATOM 1206 O MET A 72 0.900 -11.456 1.101 1.00 1.00 O ATOM 1207 CB MET A 72 1.064 -12.814 3.462 1.00 1.00 C ATOM 1208 CG MET A 72 1.349 -13.489 4.793 1.00 1.00 C ATOM 1209 SD MET A 72 1.069 -15.269 4.745 1.00 1.00 S ATOM 1210 CE MET A 72 1.542 -15.726 6.411 1.00 1.00 C ATOM 0 H MET A 72 0.973 -10.212 5.175 1.00 1.00 H new ATOM 0 HA MET A 72 2.410 -11.191 3.824 1.00 1.00 H new ATOM 0 HB2 MET A 72 0.011 -12.947 3.215 1.00 1.00 H new ATOM 0 HB3 MET A 72 1.640 -13.311 2.681 1.00 1.00 H new ATOM 0 HG2 MET A 72 2.383 -13.296 5.080 1.00 1.00 H new ATOM 0 HG3 MET A 72 0.717 -13.047 5.563 1.00 1.00 H new ATOM 0 HE1 MET A 72 1.424 -16.802 6.540 1.00 1.00 H new ATOM 0 HE2 MET A 72 2.583 -15.452 6.582 1.00 1.00 H new ATOM 0 HE3 MET A 72 0.907 -15.203 7.126 1.00 1.00 H new ATOM 1220 N LEU A 73 1.765 -9.533 1.874 1.00 1.00 N ATOM 1221 CA LEU A 73 1.806 -8.903 0.567 1.00 1.00 C ATOM 1222 C LEU A 73 3.055 -9.354 -0.181 1.00 1.00 C ATOM 1223 O LEU A 73 4.116 -9.539 0.419 1.00 1.00 O ATOM 1224 CB LEU A 73 1.777 -7.383 0.717 1.00 1.00 C ATOM 1225 CG LEU A 73 0.578 -6.837 1.498 1.00 1.00 C ATOM 1226 CD1 LEU A 73 0.683 -5.332 1.654 1.00 1.00 C ATOM 1227 CD2 LEU A 73 -0.726 -7.212 0.807 1.00 1.00 C ATOM 0 H LEU A 73 2.089 -8.941 2.639 1.00 1.00 H new ATOM 0 HA LEU A 73 0.931 -9.203 -0.009 1.00 1.00 H new ATOM 0 HB2 LEU A 73 2.693 -7.064 1.215 1.00 1.00 H new ATOM 0 HB3 LEU A 73 1.781 -6.934 -0.276 1.00 1.00 H new ATOM 0 HG LEU A 73 0.583 -7.286 2.491 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.178 -4.963 2.211 1.00 1.00 H new ATOM 0 HD12 LEU A 73 1.597 -5.085 2.193 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.705 -4.865 0.669 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -1.567 -6.815 1.376 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -0.739 -6.792 -0.199 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -0.807 -8.297 0.748 1.00 1.00 H new ATOM 1239 N ARG A 74 2.922 -9.544 -1.483 1.00 1.00 N ATOM 1240 CA ARG A 74 4.001 -10.092 -2.290 1.00 1.00 C ATOM 1241 C ARG A 74 4.514 -9.057 -3.278 1.00 1.00 C ATOM 1242 O ARG A 74 3.879 -8.022 -3.490 1.00 1.00 O ATOM 1243 CB ARG A 74 3.507 -11.317 -3.063 1.00 1.00 C ATOM 1244 CG ARG A 74 2.989 -12.446 -2.185 1.00 1.00 C ATOM 1245 CD ARG A 74 2.332 -13.531 -3.024 1.00 1.00 C ATOM 1246 NE ARG A 74 3.221 -14.014 -4.080 1.00 1.00 N ATOM 1247 CZ ARG A 74 2.809 -14.381 -5.294 1.00 1.00 C ATOM 1248 NH1 ARG A 74 1.517 -14.348 -5.600 1.00 1.00 N ATOM 1249 NH2 ARG A 74 3.692 -14.782 -6.200 1.00 1.00 N ATOM 0 H ARG A 74 2.074 -9.326 -2.006 1.00 1.00 H new ATOM 0 HA ARG A 74 4.812 -10.379 -1.621 1.00 1.00 H new ATOM 0 HB2 ARG A 74 2.713 -11.007 -3.742 1.00 1.00 H new ATOM 0 HB3 ARG A 74 4.323 -11.696 -3.679 1.00 1.00 H new ATOM 0 HG2 ARG A 74 3.812 -12.873 -1.612 1.00 1.00 H new ATOM 0 HG3 ARG A 74 2.271 -12.052 -1.466 1.00 1.00 H new ATOM 0 HD2 ARG A 74 2.045 -14.363 -2.382 1.00 1.00 H new ATOM 0 HD3 ARG A 74 1.416 -13.142 -3.469 1.00 1.00 H new ATOM 0 HE ARG A 74 4.218 -14.074 -3.875 1.00 1.00 H new ATOM 0 HH11 ARG A 74 0.836 -14.041 -4.905 1.00 1.00 H new ATOM 0 HH12 ARG A 74 1.206 -14.629 -6.530 1.00 1.00 H new ATOM 0 HH21 ARG A 74 4.685 -14.809 -5.967 1.00 1.00 H new ATOM 0 HH22 ARG A 74 3.378 -15.063 -7.129 1.00 1.00 H new ATOM 1263 N ASN A 75 5.659 -9.341 -3.884 1.00 1.00 N ATOM 1264 CA ASN A 75 6.181 -8.494 -4.945 1.00 1.00 C ATOM 1265 C ASN A 75 5.345 -8.687 -6.197 1.00 1.00 C ATOM 1266 O ASN A 75 5.364 -9.757 -6.807 1.00 1.00 O ATOM 1267 CB ASN A 75 7.647 -8.813 -5.255 1.00 1.00 C ATOM 1268 CG ASN A 75 8.627 -8.237 -4.248 1.00 1.00 C ATOM 1269 OD1 ASN A 75 8.243 -8.193 -2.982 1.00 1.00 O flip ATOM 1270 ND2 ASN A 75 9.741 -7.856 -4.609 1.00 1.00 N flip ATOM 0 H ASN A 75 6.241 -10.148 -3.660 1.00 1.00 H new ATOM 0 HA ASN A 75 6.128 -7.458 -4.609 1.00 1.00 H new ATOM 0 HB2 ASN A 75 7.773 -9.895 -5.293 1.00 1.00 H new ATOM 0 HB3 ASN A 75 7.891 -8.429 -6.246 1.00 1.00 H new ATOM 0 HD21 ASN A 75 10.002 -7.905 -5.594 1.00 1.00 H new ATOM 0 HD22 ASN A 75 10.402 -7.492 -3.923 1.00 1.00 H new ATOM 1277 N GLY A 76 4.598 -7.664 -6.565 1.00 1.00 N ATOM 1278 CA GLY A 76 3.748 -7.759 -7.730 1.00 1.00 C ATOM 1279 C GLY A 76 2.273 -7.614 -7.407 1.00 1.00 C ATOM 1280 O GLY A 76 1.453 -7.492 -8.317 1.00 1.00 O ATOM 0 H GLY A 76 4.564 -6.768 -6.079 1.00 1.00 H new ATOM 0 HA2 GLY A 76 4.034 -6.987 -8.445 1.00 1.00 H new ATOM 0 HA3 GLY A 76 3.914 -8.721 -8.216 1.00 1.00 H new ATOM 1284 N ASP A 77 1.927 -7.632 -6.121 1.00 1.00 N ATOM 1285 CA ASP A 77 0.530 -7.473 -5.704 1.00 1.00 C ATOM 1286 C ASP A 77 0.055 -6.047 -5.942 1.00 1.00 C ATOM 1287 O ASP A 77 0.865 -5.135 -6.084 1.00 1.00 O ATOM 1288 CB ASP A 77 0.341 -7.836 -4.226 1.00 1.00 C ATOM 1289 CG ASP A 77 0.202 -9.327 -3.992 1.00 1.00 C ATOM 1290 OD1 ASP A 77 -0.318 -10.031 -4.886 1.00 1.00 O ATOM 1291 OD2 ASP A 77 0.602 -9.801 -2.910 1.00 1.00 O ATOM 0 H ASP A 77 2.587 -7.754 -5.353 1.00 1.00 H new ATOM 0 HA ASP A 77 -0.067 -8.156 -6.308 1.00 1.00 H new ATOM 0 HB2 ASP A 77 1.191 -7.463 -3.655 1.00 1.00 H new ATOM 0 HB3 ASP A 77 -0.546 -7.330 -3.845 1.00 1.00 H new ATOM 1296 N THR A 78 -1.255 -5.854 -5.985 1.00 1.00 N ATOM 1297 CA THR A 78 -1.819 -4.538 -6.231 1.00 1.00 C ATOM 1298 C THR A 78 -2.713 -4.096 -5.074 1.00 1.00 C ATOM 1299 O THR A 78 -3.525 -4.873 -4.567 1.00 1.00 O ATOM 1300 CB THR A 78 -2.632 -4.525 -7.543 1.00 1.00 C ATOM 1301 OG1 THR A 78 -1.810 -4.964 -8.633 1.00 1.00 O ATOM 1302 CG2 THR A 78 -3.172 -3.134 -7.848 1.00 1.00 C ATOM 0 H THR A 78 -1.946 -6.593 -5.853 1.00 1.00 H new ATOM 0 HA THR A 78 -0.987 -3.839 -6.319 1.00 1.00 H new ATOM 0 HB THR A 78 -3.476 -5.203 -7.418 1.00 1.00 H new ATOM 0 HG1 THR A 78 -2.333 -4.955 -9.462 1.00 1.00 H new ATOM 0 HG21 THR A 78 -3.740 -3.160 -8.778 1.00 1.00 H new ATOM 0 HG22 THR A 78 -3.822 -2.810 -7.035 1.00 1.00 H new ATOM 0 HG23 THR A 78 -2.341 -2.435 -7.949 1.00 1.00 H new ATOM 1310 N MET A 79 -2.540 -2.853 -4.645 1.00 1.00 N ATOM 1311 CA MET A 79 -3.408 -2.256 -3.642 1.00 1.00 C ATOM 1312 C MET A 79 -3.803 -0.860 -4.081 1.00 1.00 C ATOM 1313 O MET A 79 -2.973 -0.102 -4.580 1.00 1.00 O ATOM 1314 CB MET A 79 -2.734 -2.172 -2.267 1.00 1.00 C ATOM 1315 CG MET A 79 -2.326 -3.511 -1.683 1.00 1.00 C ATOM 1316 SD MET A 79 -1.962 -3.411 0.079 1.00 1.00 S ATOM 1317 CE MET A 79 -0.740 -2.104 0.101 1.00 1.00 C ATOM 0 H MET A 79 -1.800 -2.236 -4.980 1.00 1.00 H new ATOM 0 HA MET A 79 -4.286 -2.896 -3.549 1.00 1.00 H new ATOM 0 HB2 MET A 79 -1.849 -1.541 -2.348 1.00 1.00 H new ATOM 0 HB3 MET A 79 -3.414 -1.679 -1.573 1.00 1.00 H new ATOM 0 HG2 MET A 79 -3.126 -4.234 -1.845 1.00 1.00 H new ATOM 0 HG3 MET A 79 -1.448 -3.883 -2.212 1.00 1.00 H new ATOM 0 HE1 MET A 79 -0.119 -2.201 0.991 1.00 1.00 H new ATOM 0 HE2 MET A 79 -0.114 -2.177 -0.788 1.00 1.00 H new ATOM 0 HE3 MET A 79 -1.242 -1.137 0.113 1.00 1.00 H new ATOM 1327 N GLU A 80 -5.061 -0.520 -3.902 1.00 1.00 N ATOM 1328 CA GLU A 80 -5.534 0.805 -4.242 1.00 1.00 C ATOM 1329 C GLU A 80 -5.435 1.717 -3.035 1.00 1.00 C ATOM 1330 O GLU A 80 -6.235 1.609 -2.105 1.00 1.00 O ATOM 1331 CB GLU A 80 -6.989 0.773 -4.713 1.00 1.00 C ATOM 1332 CG GLU A 80 -7.255 -0.139 -5.894 1.00 1.00 C ATOM 1333 CD GLU A 80 -8.654 0.041 -6.447 1.00 1.00 C ATOM 1334 OE1 GLU A 80 -9.631 -0.124 -5.684 1.00 1.00 O ATOM 1335 OE2 GLU A 80 -8.784 0.372 -7.644 1.00 1.00 O ATOM 0 H GLU A 80 -5.775 -1.142 -3.523 1.00 1.00 H new ATOM 0 HA GLU A 80 -4.908 1.180 -5.052 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -7.619 0.459 -3.881 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -7.293 1.786 -4.978 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -6.526 0.063 -6.679 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -7.116 -1.176 -5.589 1.00 1.00 H new ATOM 1342 N TYR A 81 -4.443 2.587 -3.018 1.00 1.00 N ATOM 1343 CA TYR A 81 -4.424 3.639 -2.023 1.00 1.00 C ATOM 1344 C TYR A 81 -5.351 4.744 -2.494 1.00 1.00 C ATOM 1345 O TYR A 81 -5.032 5.493 -3.416 1.00 1.00 O ATOM 1346 CB TYR A 81 -3.013 4.178 -1.764 1.00 1.00 C ATOM 1347 CG TYR A 81 -3.008 5.397 -0.874 1.00 1.00 C ATOM 1348 CD1 TYR A 81 -3.115 5.286 0.506 1.00 1.00 C ATOM 1349 CD2 TYR A 81 -2.915 6.664 -1.424 1.00 1.00 C ATOM 1350 CE1 TYR A 81 -3.126 6.411 1.311 1.00 1.00 C ATOM 1351 CE2 TYR A 81 -2.930 7.787 -0.633 1.00 1.00 C ATOM 1352 CZ TYR A 81 -3.034 7.660 0.736 1.00 1.00 C ATOM 1353 OH TYR A 81 -3.054 8.785 1.531 1.00 1.00 O ATOM 0 H TYR A 81 -3.656 2.587 -3.667 1.00 1.00 H new ATOM 0 HA TYR A 81 -4.765 3.233 -1.071 1.00 1.00 H new ATOM 0 HB2 TYR A 81 -2.409 3.396 -1.305 1.00 1.00 H new ATOM 0 HB3 TYR A 81 -2.543 4.426 -2.716 1.00 1.00 H new ATOM 0 HD1 TYR A 81 -3.191 4.308 0.957 1.00 1.00 H new ATOM 0 HD2 TYR A 81 -2.829 6.772 -2.495 1.00 1.00 H new ATOM 0 HE1 TYR A 81 -3.206 6.311 2.383 1.00 1.00 H new ATOM 0 HE2 TYR A 81 -2.861 8.767 -1.082 1.00 1.00 H new ATOM 0 HH TYR A 81 -3.210 9.576 0.974 1.00 1.00 H new ATOM 1363 N ARG A 82 -6.512 4.812 -1.879 1.00 1.00 N ATOM 1364 CA ARG A 82 -7.563 5.691 -2.347 1.00 1.00 C ATOM 1365 C ARG A 82 -8.373 6.234 -1.185 1.00 1.00 C ATOM 1366 O ARG A 82 -8.203 5.810 -0.039 1.00 1.00 O ATOM 1367 CB ARG A 82 -8.470 4.928 -3.316 1.00 1.00 C ATOM 1368 CG ARG A 82 -8.980 3.608 -2.761 1.00 1.00 C ATOM 1369 CD ARG A 82 -9.755 2.816 -3.802 1.00 1.00 C ATOM 1370 NE ARG A 82 -10.926 3.541 -4.287 1.00 1.00 N ATOM 1371 CZ ARG A 82 -11.957 2.963 -4.904 1.00 1.00 C ATOM 1372 NH1 ARG A 82 -11.924 1.668 -5.204 1.00 1.00 N ATOM 1373 NH2 ARG A 82 -13.008 3.694 -5.252 1.00 1.00 N ATOM 0 H ARG A 82 -6.753 4.267 -1.051 1.00 1.00 H new ATOM 0 HA ARG A 82 -7.110 6.537 -2.863 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -9.322 5.557 -3.575 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -7.923 4.737 -4.239 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -8.138 3.014 -2.406 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -9.620 3.800 -1.900 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -9.100 2.584 -4.642 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -10.071 1.865 -3.372 1.00 1.00 H new ATOM 0 HE ARG A 82 -10.957 4.551 -4.145 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -11.106 1.109 -4.962 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -12.717 1.233 -5.676 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -13.025 4.693 -5.047 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -13.799 3.257 -5.724 1.00 1.00 H new ATOM 1387 N LYS A 83 -9.242 7.184 -1.488 1.00 1.00 N ATOM 1388 CA LYS A 83 -10.134 7.748 -0.497 1.00 1.00 C ATOM 1389 C LYS A 83 -11.218 6.724 -0.183 1.00 1.00 C ATOM 1390 O LYS A 83 -11.848 6.187 -1.094 1.00 1.00 O ATOM 1391 CB LYS A 83 -10.739 9.053 -1.036 1.00 1.00 C ATOM 1392 CG LYS A 83 -11.223 10.019 0.038 1.00 1.00 C ATOM 1393 CD LYS A 83 -12.513 9.556 0.692 1.00 1.00 C ATOM 1394 CE LYS A 83 -13.678 9.560 -0.286 1.00 1.00 C ATOM 1395 NZ LYS A 83 -14.941 9.130 0.365 1.00 1.00 N ATOM 0 H LYS A 83 -9.346 7.581 -2.422 1.00 1.00 H new ATOM 0 HA LYS A 83 -9.593 7.982 0.420 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -9.993 9.557 -1.650 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.576 8.807 -1.689 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -10.451 10.128 0.800 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.376 11.003 -0.404 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -12.377 8.551 1.091 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -12.745 10.205 1.536 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -13.804 10.561 -0.699 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -13.455 8.896 -1.121 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -15.618 8.819 -0.361 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -14.746 8.343 1.016 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -15.346 9.926 0.897 1.00 1.00 H new ATOM 1409 N LYS A 84 -11.414 6.433 1.093 1.00 1.00 N ATOM 1410 CA LYS A 84 -12.365 5.401 1.497 1.00 1.00 C ATOM 1411 C LYS A 84 -13.801 5.861 1.268 1.00 1.00 C ATOM 1412 O LYS A 84 -14.216 6.902 1.775 1.00 1.00 O ATOM 1413 CB LYS A 84 -12.173 5.040 2.969 1.00 1.00 C ATOM 1414 CG LYS A 84 -10.743 4.672 3.325 1.00 1.00 C ATOM 1415 CD LYS A 84 -10.596 4.236 4.780 1.00 1.00 C ATOM 1416 CE LYS A 84 -11.022 5.320 5.764 1.00 1.00 C ATOM 1417 NZ LYS A 84 -12.499 5.371 5.955 1.00 1.00 N ATOM 0 H LYS A 84 -10.932 6.892 1.866 1.00 1.00 H new ATOM 0 HA LYS A 84 -12.177 4.519 0.884 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -12.486 5.883 3.585 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -12.827 4.204 3.217 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -10.405 3.867 2.672 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -10.094 5.528 3.138 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -11.195 3.341 4.949 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -9.558 3.965 4.971 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -10.541 5.142 6.726 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -10.672 6.288 5.406 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -12.866 6.270 5.583 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -12.942 4.579 5.447 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -12.721 5.300 6.969 1.00 1.00 H new ATOM 1431 N GLN A 85 -14.547 5.094 0.489 1.00 1.00 N ATOM 1432 CA GLN A 85 -15.956 5.382 0.260 1.00 1.00 C ATOM 1433 C GLN A 85 -16.779 4.873 1.434 1.00 1.00 C ATOM 1434 O GLN A 85 -17.130 5.683 2.313 1.00 1.00 O ATOM 1435 CB GLN A 85 -16.454 4.739 -1.044 1.00 1.00 C ATOM 1436 CG GLN A 85 -16.125 5.529 -2.307 1.00 1.00 C ATOM 1437 CD GLN A 85 -14.643 5.571 -2.637 1.00 1.00 C ATOM 1438 OE1 GLN A 85 -13.924 4.502 -2.331 1.00 1.00 O flip ATOM 1439 NE2 GLN A 85 -14.154 6.552 -3.198 1.00 1.00 N flip ATOM 1440 OXT GLN A 85 -17.037 3.654 1.493 1.00 1.00 O ATOM 0 H GLN A 85 -14.201 4.266 0.004 1.00 1.00 H new ATOM 0 HA GLN A 85 -16.073 6.462 0.169 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -16.021 3.743 -1.131 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -17.535 4.612 -0.982 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -16.662 5.091 -3.148 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -16.491 6.549 -2.191 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -14.739 7.358 -3.418 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -13.164 6.559 -3.443 1.00 1.00 H new TER 1449 GLN A 85