USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 593 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 15 THR OG1 : rot -120:sc= -0.189 USER MOD Set 1.2: A 18 THR OG1 : rot 142:sc= 0.924 USER MOD Set 2.1: A 2 THR OG1 : rot 34:sc= 1.07 USER MOD Set 2.2: A 4 THR OG1 : rot -125:sc= 1.55 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 148:sc= -0.305 (180deg=-1.36!) USER MOD Single : A 12 LYS NZ :NH3+ 167:sc= -0.216 (180deg=-0.733) USER MOD Single : A 13 CYS SG : rot -80:sc= -0.224! USER MOD Single : A 14 THR OG1 : rot 95:sc= -1.49 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN :FLIP amide:sc= -7.35! C(o=-11!,f=-7.4!) USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= -0.0776 (180deg=-0.707) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -85:sc= 1.03 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.284 K(o=-0.28,f=-3.9!) USER MOD Single : A 50 THR OG1 : rot 65:sc= 0.883 USER MOD Single : A 51 MET CE :methyl -157:sc= -0.189 (180deg=-1.24) USER MOD Single : A 52 ASN : amide:sc= -2.78! C(o=-2.8!,f=-10!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 61:sc= 0.59 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 65 HIS : no HE2:sc= 0.424 K(o=0.42,f=-2.2!) USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= -0.0391 (180deg=-0.572) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 69 HIS : no HE2:sc= 0.07 K(o=0.07,f=-7.1!) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -2.95! C(o=-4.2!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 72.995 -10.040 1.783 1.00 1.00 N ATOM 2 CA GLY A 1 72.498 -9.133 0.708 1.00 1.00 C ATOM 3 C GLY A 1 72.663 -7.682 1.149 1.00 1.00 C ATOM 4 O GLY A 1 71.684 -7.005 1.462 1.00 1.00 O ATOM 0 H1 GLY A 1 72.882 -11.029 1.482 1.00 1.00 H new ATOM 0 H2 GLY A 1 74.000 -9.845 1.964 1.00 1.00 H new ATOM 0 H3 GLY A 1 72.449 -9.879 2.653 1.00 1.00 H new ATOM 0 HA2 GLY A 1 73.051 -9.309 -0.215 1.00 1.00 H new ATOM 0 HA3 GLY A 1 71.450 -9.343 0.497 1.00 1.00 H new ATOM 10 N THR A 2 73.908 -7.210 1.175 1.00 1.00 N ATOM 11 CA THR A 2 74.193 -5.835 1.586 1.00 1.00 C ATOM 12 C THR A 2 73.858 -4.853 0.469 1.00 1.00 C ATOM 13 O THR A 2 73.713 -5.233 -0.692 1.00 1.00 O ATOM 14 CB THR A 2 75.671 -5.696 1.964 1.00 1.00 C ATOM 15 OG1 THR A 2 76.480 -6.069 0.857 1.00 1.00 O ATOM 16 CG2 THR A 2 75.983 -6.603 3.155 1.00 1.00 C ATOM 0 H THR A 2 74.731 -7.755 0.918 1.00 1.00 H new ATOM 0 HA THR A 2 73.572 -5.604 2.451 1.00 1.00 H new ATOM 0 HB THR A 2 75.880 -4.661 2.234 1.00 1.00 H new ATOM 0 HG1 THR A 2 76.032 -5.813 0.024 1.00 1.00 H new ATOM 0 HG21 THR A 2 77.035 -6.503 3.423 1.00 1.00 H new ATOM 0 HG22 THR A 2 75.363 -6.315 4.004 1.00 1.00 H new ATOM 0 HG23 THR A 2 75.773 -7.639 2.888 1.00 1.00 H new ATOM 24 N LYS A 3 73.731 -3.580 0.845 1.00 1.00 N ATOM 25 CA LYS A 3 73.405 -2.503 -0.099 1.00 1.00 C ATOM 26 C LYS A 3 74.528 -2.319 -1.137 1.00 1.00 C ATOM 27 O LYS A 3 74.308 -1.714 -2.183 1.00 1.00 O ATOM 28 CB LYS A 3 73.010 -1.209 0.622 1.00 1.00 C ATOM 29 CG LYS A 3 72.167 -0.308 -0.292 1.00 1.00 C ATOM 30 CD LYS A 3 71.964 1.099 0.342 1.00 1.00 C ATOM 31 CE LYS A 3 70.834 1.064 1.379 1.00 1.00 C ATOM 32 NZ LYS A 3 70.693 2.413 1.994 1.00 1.00 N ATOM 0 H LYS A 3 73.850 -3.264 1.808 1.00 1.00 H new ATOM 0 HA LYS A 3 72.518 -2.797 -0.660 1.00 1.00 H new ATOM 0 HB2 LYS A 3 72.446 -1.448 1.524 1.00 1.00 H new ATOM 0 HB3 LYS A 3 73.907 -0.676 0.938 1.00 1.00 H new ATOM 0 HG2 LYS A 3 72.657 -0.207 -1.260 1.00 1.00 H new ATOM 0 HG3 LYS A 3 71.198 -0.773 -0.472 1.00 1.00 H new ATOM 0 HD2 LYS A 3 72.889 1.428 0.815 1.00 1.00 H new ATOM 0 HD3 LYS A 3 71.728 1.825 -0.437 1.00 1.00 H new ATOM 0 HE2 LYS A 3 69.898 0.767 0.905 1.00 1.00 H new ATOM 0 HE3 LYS A 3 71.052 0.322 2.147 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 69.928 2.395 2.698 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 71.585 2.678 2.458 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 70.467 3.109 1.255 1.00 1.00 H new ATOM 46 N THR A 4 75.705 -2.879 -0.901 1.00 1.00 N ATOM 47 CA THR A 4 76.774 -2.791 -1.908 1.00 1.00 C ATOM 48 C THR A 4 76.217 -3.234 -3.284 1.00 1.00 C ATOM 49 O THR A 4 76.272 -2.483 -4.258 1.00 1.00 O ATOM 50 CB THR A 4 77.866 -3.779 -1.495 1.00 1.00 C ATOM 51 OG1 THR A 4 77.278 -5.042 -1.219 1.00 1.00 O ATOM 52 CG2 THR A 4 78.581 -3.263 -0.246 1.00 1.00 C ATOM 0 H THR A 4 75.949 -3.387 -0.051 1.00 1.00 H new ATOM 0 HA THR A 4 77.156 -1.772 -1.976 1.00 1.00 H new ATOM 0 HB THR A 4 78.588 -3.882 -2.305 1.00 1.00 H new ATOM 0 HG1 THR A 4 77.525 -5.327 -0.314 1.00 1.00 H new ATOM 0 HG21 THR A 4 79.358 -3.969 0.046 1.00 1.00 H new ATOM 0 HG22 THR A 4 79.032 -2.294 -0.459 1.00 1.00 H new ATOM 0 HG23 THR A 4 77.863 -3.158 0.567 1.00 1.00 H new ATOM 60 N ASP A 5 75.671 -4.444 -3.331 1.00 1.00 N ATOM 61 CA ASP A 5 75.073 -5.019 -4.549 1.00 1.00 C ATOM 62 C ASP A 5 74.017 -4.109 -5.188 1.00 1.00 C ATOM 63 O ASP A 5 73.917 -4.018 -6.411 1.00 1.00 O ATOM 64 CB ASP A 5 74.357 -6.307 -4.143 1.00 1.00 C ATOM 65 CG ASP A 5 75.361 -7.317 -3.598 1.00 1.00 C ATOM 66 OD1 ASP A 5 76.537 -7.172 -3.887 1.00 1.00 O ATOM 67 OD2 ASP A 5 74.937 -8.224 -2.901 1.00 1.00 O ATOM 0 H ASP A 5 75.626 -5.065 -2.523 1.00 1.00 H new ATOM 0 HA ASP A 5 75.876 -5.170 -5.271 1.00 1.00 H new ATOM 0 HB2 ASP A 5 73.602 -6.090 -3.387 1.00 1.00 H new ATOM 0 HB3 ASP A 5 73.836 -6.729 -5.002 1.00 1.00 H new ATOM 72 N TYR A 6 73.240 -3.448 -4.347 1.00 1.00 N ATOM 73 CA TYR A 6 72.181 -2.541 -4.795 1.00 1.00 C ATOM 74 C TYR A 6 72.756 -1.307 -5.473 1.00 1.00 C ATOM 75 O TYR A 6 72.439 -1.009 -6.623 1.00 1.00 O ATOM 76 CB TYR A 6 71.361 -2.079 -3.553 1.00 1.00 C ATOM 77 CG TYR A 6 70.362 -3.164 -3.119 1.00 1.00 C ATOM 78 CD1 TYR A 6 70.817 -4.439 -2.766 1.00 1.00 C ATOM 79 CD2 TYR A 6 68.986 -2.889 -3.075 1.00 1.00 C ATOM 80 CE1 TYR A 6 69.911 -5.431 -2.370 1.00 1.00 C ATOM 81 CE2 TYR A 6 68.082 -3.881 -2.679 1.00 1.00 C ATOM 82 CZ TYR A 6 68.543 -5.151 -2.327 1.00 1.00 C ATOM 83 OH TYR A 6 67.649 -6.127 -1.936 1.00 1.00 O ATOM 0 H TYR A 6 73.320 -3.521 -3.333 1.00 1.00 H new ATOM 0 HA TYR A 6 71.555 -3.073 -5.511 1.00 1.00 H new ATOM 0 HB2 TYR A 6 72.038 -1.852 -2.729 1.00 1.00 H new ATOM 0 HB3 TYR A 6 70.825 -1.159 -3.788 1.00 1.00 H new ATOM 0 HD1 TYR A 6 71.874 -4.660 -2.799 1.00 1.00 H new ATOM 0 HD2 TYR A 6 68.624 -1.909 -3.348 1.00 1.00 H new ATOM 0 HE1 TYR A 6 70.270 -6.413 -2.098 1.00 1.00 H new ATOM 0 HE2 TYR A 6 67.025 -3.664 -2.646 1.00 1.00 H new ATOM 0 HH TYR A 6 66.738 -5.766 -1.961 1.00 1.00 H new ATOM 93 N LEU A 7 73.559 -0.564 -4.729 1.00 1.00 N ATOM 94 CA LEU A 7 74.121 0.669 -5.239 1.00 1.00 C ATOM 95 C LEU A 7 75.050 0.429 -6.408 1.00 1.00 C ATOM 96 O LEU A 7 75.044 1.191 -7.364 1.00 1.00 O ATOM 97 CB LEU A 7 74.913 1.374 -4.119 1.00 1.00 C ATOM 98 CG LEU A 7 73.954 1.943 -3.029 1.00 1.00 C ATOM 99 CD1 LEU A 7 74.662 2.005 -1.666 1.00 1.00 C ATOM 100 CD2 LEU A 7 73.493 3.359 -3.399 1.00 1.00 C ATOM 0 H LEU A 7 73.834 -0.795 -3.774 1.00 1.00 H new ATOM 0 HA LEU A 7 73.292 1.289 -5.581 1.00 1.00 H new ATOM 0 HB2 LEU A 7 75.610 0.671 -3.664 1.00 1.00 H new ATOM 0 HB3 LEU A 7 75.508 2.183 -4.543 1.00 1.00 H new ATOM 0 HG LEU A 7 73.092 1.278 -2.970 1.00 1.00 H new ATOM 0 HD11 LEU A 7 73.977 2.405 -0.918 1.00 1.00 H new ATOM 0 HD12 LEU A 7 74.975 1.003 -1.373 1.00 1.00 H new ATOM 0 HD13 LEU A 7 75.537 2.651 -1.739 1.00 1.00 H new ATOM 0 HD21 LEU A 7 72.825 3.738 -2.626 1.00 1.00 H new ATOM 0 HD22 LEU A 7 74.360 4.014 -3.482 1.00 1.00 H new ATOM 0 HD23 LEU A 7 72.966 3.332 -4.353 1.00 1.00 H new ATOM 112 N MET A 8 75.887 -0.612 -6.322 1.00 1.00 N ATOM 113 CA MET A 8 76.838 -0.821 -7.419 1.00 1.00 C ATOM 114 C MET A 8 76.028 -1.171 -8.660 1.00 1.00 C ATOM 115 O MET A 8 76.129 -0.502 -9.687 1.00 1.00 O ATOM 116 CB MET A 8 77.862 -1.910 -7.080 1.00 1.00 C ATOM 117 CG MET A 8 78.890 -1.385 -6.051 1.00 1.00 C ATOM 118 SD MET A 8 80.301 -2.524 -5.960 1.00 1.00 S ATOM 119 CE MET A 8 80.979 -2.256 -7.621 1.00 1.00 C ATOM 0 H MET A 8 75.928 -1.284 -5.556 1.00 1.00 H new ATOM 0 HA MET A 8 77.419 0.084 -7.594 1.00 1.00 H new ATOM 0 HB2 MET A 8 77.351 -2.785 -6.679 1.00 1.00 H new ATOM 0 HB3 MET A 8 78.376 -2.229 -7.987 1.00 1.00 H new ATOM 0 HG2 MET A 8 79.231 -0.390 -6.338 1.00 1.00 H new ATOM 0 HG3 MET A 8 78.422 -1.291 -5.071 1.00 1.00 H new ATOM 0 HE1 MET A 8 82.062 -2.373 -7.595 1.00 1.00 H new ATOM 0 HE2 MET A 8 80.552 -2.985 -8.310 1.00 1.00 H new ATOM 0 HE3 MET A 8 80.731 -1.249 -7.957 1.00 1.00 H new ATOM 129 N ARG A 9 75.266 -2.254 -8.581 1.00 1.00 N ATOM 130 CA ARG A 9 74.501 -2.718 -9.728 1.00 1.00 C ATOM 131 C ARG A 9 73.683 -1.574 -10.335 1.00 1.00 C ATOM 132 O ARG A 9 73.701 -1.378 -11.550 1.00 1.00 O ATOM 133 CB ARG A 9 73.581 -3.844 -9.257 1.00 1.00 C ATOM 134 CG ARG A 9 72.892 -4.519 -10.445 1.00 1.00 C ATOM 135 CD ARG A 9 71.849 -5.521 -9.931 1.00 1.00 C ATOM 136 NE ARG A 9 71.371 -6.353 -11.032 1.00 1.00 N ATOM 137 CZ ARG A 9 72.147 -7.284 -11.581 1.00 1.00 C ATOM 138 NH1 ARG A 9 73.355 -7.482 -11.127 1.00 1.00 N ATOM 139 NH2 ARG A 9 71.700 -8.003 -12.575 1.00 1.00 N ATOM 0 H ARG A 9 75.162 -2.823 -7.741 1.00 1.00 H new ATOM 0 HA ARG A 9 75.176 -3.082 -10.503 1.00 1.00 H new ATOM 0 HB2 ARG A 9 74.158 -4.581 -8.699 1.00 1.00 H new ATOM 0 HB3 ARG A 9 72.830 -3.445 -8.575 1.00 1.00 H new ATOM 0 HG2 ARG A 9 72.412 -3.770 -11.075 1.00 1.00 H new ATOM 0 HG3 ARG A 9 73.629 -5.031 -11.064 1.00 1.00 H new ATOM 0 HD2 ARG A 9 72.287 -6.148 -9.154 1.00 1.00 H new ATOM 0 HD3 ARG A 9 71.013 -4.988 -9.477 1.00 1.00 H new ATOM 0 HE ARG A 9 70.424 -6.218 -11.387 1.00 1.00 H new ATOM 0 HH11 ARG A 9 73.706 -6.922 -10.350 1.00 1.00 H new ATOM 0 HH12 ARG A 9 73.948 -8.196 -11.550 1.00 1.00 H new ATOM 0 HH21 ARG A 9 70.756 -7.851 -12.930 1.00 1.00 H new ATOM 0 HH22 ARG A 9 72.295 -8.717 -12.996 1.00 1.00 H new ATOM 153 N LEU A 10 72.993 -0.808 -9.504 1.00 1.00 N ATOM 154 CA LEU A 10 72.213 0.321 -10.011 1.00 1.00 C ATOM 155 C LEU A 10 73.128 1.417 -10.561 1.00 1.00 C ATOM 156 O LEU A 10 72.933 1.923 -11.664 1.00 1.00 O ATOM 157 CB LEU A 10 71.423 0.933 -8.833 1.00 1.00 C ATOM 158 CG LEU A 10 70.281 -0.006 -8.406 1.00 1.00 C ATOM 159 CD1 LEU A 10 69.682 0.528 -7.086 1.00 1.00 C ATOM 160 CD2 LEU A 10 69.179 -0.083 -9.510 1.00 1.00 C ATOM 0 H LEU A 10 72.954 -0.940 -8.493 1.00 1.00 H new ATOM 0 HA LEU A 10 71.558 -0.039 -10.804 1.00 1.00 H new ATOM 0 HB2 LEU A 10 72.092 1.108 -7.991 1.00 1.00 H new ATOM 0 HB3 LEU A 10 71.016 1.901 -9.124 1.00 1.00 H new ATOM 0 HG LEU A 10 70.671 -1.013 -8.262 1.00 1.00 H new ATOM 0 HD11 LEU A 10 68.870 -0.124 -6.765 1.00 1.00 H new ATOM 0 HD12 LEU A 10 70.455 0.549 -6.318 1.00 1.00 H new ATOM 0 HD13 LEU A 10 69.298 1.536 -7.242 1.00 1.00 H new ATOM 0 HD21 LEU A 10 68.383 -0.753 -9.184 1.00 1.00 H new ATOM 0 HD22 LEU A 10 68.768 0.911 -9.684 1.00 1.00 H new ATOM 0 HD23 LEU A 10 69.616 -0.461 -10.434 1.00 1.00 H new ATOM 172 N ARG A 11 74.028 1.863 -9.693 1.00 1.00 N ATOM 173 CA ARG A 11 74.872 3.017 -10.019 1.00 1.00 C ATOM 174 C ARG A 11 75.628 2.825 -11.341 1.00 1.00 C ATOM 175 O ARG A 11 76.051 3.801 -11.948 1.00 1.00 O ATOM 176 CB ARG A 11 75.821 3.359 -8.846 1.00 1.00 C ATOM 177 CG ARG A 11 76.689 4.662 -9.118 1.00 1.00 C ATOM 178 CD ARG A 11 76.506 5.701 -7.959 1.00 1.00 C ATOM 179 NE ARG A 11 76.961 5.117 -6.704 1.00 1.00 N ATOM 180 CZ ARG A 11 78.251 4.898 -6.472 1.00 1.00 C ATOM 181 NH1 ARG A 11 79.142 5.217 -7.371 1.00 1.00 N ATOM 182 NH2 ARG A 11 78.627 4.365 -5.343 1.00 1.00 N ATOM 0 H ARG A 11 74.194 1.455 -8.773 1.00 1.00 H new ATOM 0 HA ARG A 11 74.214 3.874 -10.167 1.00 1.00 H new ATOM 0 HB2 ARG A 11 75.234 3.502 -7.939 1.00 1.00 H new ATOM 0 HB3 ARG A 11 76.487 2.515 -8.665 1.00 1.00 H new ATOM 0 HG2 ARG A 11 77.741 4.392 -9.208 1.00 1.00 H new ATOM 0 HG3 ARG A 11 76.393 5.111 -10.066 1.00 1.00 H new ATOM 0 HD2 ARG A 11 77.071 6.607 -8.176 1.00 1.00 H new ATOM 0 HD3 ARG A 11 75.458 5.991 -7.878 1.00 1.00 H new ATOM 0 HE ARG A 11 76.276 4.871 -5.989 1.00 1.00 H new ATOM 0 HH11 ARG A 11 78.849 5.635 -8.254 1.00 1.00 H new ATOM 0 HH12 ARG A 11 80.132 5.048 -7.191 1.00 1.00 H new ATOM 0 HH21 ARG A 11 77.931 4.117 -4.640 1.00 1.00 H new ATOM 0 HH22 ARG A 11 79.617 4.196 -5.163 1.00 1.00 H new ATOM 196 N LYS A 12 75.777 1.581 -11.828 1.00 1.00 N ATOM 197 CA LYS A 12 76.471 1.349 -13.123 1.00 1.00 C ATOM 198 C LYS A 12 75.438 1.255 -14.255 1.00 1.00 C ATOM 199 O LYS A 12 75.804 1.056 -15.414 1.00 1.00 O ATOM 200 CB LYS A 12 77.362 0.078 -13.037 1.00 1.00 C ATOM 201 CG LYS A 12 78.782 0.440 -12.528 1.00 1.00 C ATOM 202 CD LYS A 12 78.696 1.100 -11.138 1.00 1.00 C ATOM 203 CE LYS A 12 80.115 1.374 -10.583 1.00 1.00 C ATOM 204 NZ LYS A 12 81.032 1.731 -11.703 1.00 1.00 N ATOM 0 H LYS A 12 75.439 0.737 -11.366 1.00 1.00 H new ATOM 0 HA LYS A 12 77.129 2.190 -13.342 1.00 1.00 H new ATOM 0 HB2 LYS A 12 76.904 -0.649 -12.367 1.00 1.00 H new ATOM 0 HB3 LYS A 12 77.430 -0.392 -14.018 1.00 1.00 H new ATOM 0 HG2 LYS A 12 79.397 -0.458 -12.475 1.00 1.00 H new ATOM 0 HG3 LYS A 12 79.267 1.117 -13.231 1.00 1.00 H new ATOM 0 HD2 LYS A 12 78.138 2.034 -11.206 1.00 1.00 H new ATOM 0 HD3 LYS A 12 78.150 0.451 -10.453 1.00 1.00 H new ATOM 0 HE2 LYS A 12 80.081 2.185 -9.855 1.00 1.00 H new ATOM 0 HE3 LYS A 12 80.488 0.493 -10.061 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 81.914 2.125 -11.317 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 81.247 0.880 -12.260 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 80.575 2.438 -12.314 1.00 1.00 H new ATOM 218 N CYS A 13 74.149 1.429 -13.926 1.00 1.00 N ATOM 219 CA CYS A 13 73.091 1.392 -14.952 1.00 1.00 C ATOM 220 C CYS A 13 73.492 2.285 -16.125 1.00 1.00 C ATOM 221 O CYS A 13 73.522 1.846 -17.274 1.00 1.00 O ATOM 222 CB CYS A 13 71.763 1.878 -14.361 1.00 1.00 C ATOM 223 SG CYS A 13 71.983 3.538 -13.673 1.00 1.00 S ATOM 0 H CYS A 13 73.816 1.594 -12.976 1.00 1.00 H new ATOM 0 HA CYS A 13 72.965 0.366 -15.299 1.00 1.00 H new ATOM 0 HB2 CYS A 13 70.992 1.891 -15.132 1.00 1.00 H new ATOM 0 HB3 CYS A 13 71.425 1.192 -13.584 1.00 1.00 H new ATOM 0 HG CYS A 13 72.541 3.452 -12.502 1.00 1.00 H new ATOM 229 N THR A 14 73.861 3.528 -15.800 1.00 1.00 N ATOM 230 CA THR A 14 74.342 4.500 -16.792 1.00 1.00 C ATOM 231 C THR A 14 73.215 5.214 -17.560 1.00 1.00 C ATOM 232 O THR A 14 73.496 6.151 -18.306 1.00 1.00 O ATOM 233 CB THR A 14 75.309 3.796 -17.788 1.00 1.00 C ATOM 234 OG1 THR A 14 75.980 2.747 -17.106 1.00 1.00 O ATOM 235 CG2 THR A 14 76.355 4.780 -18.336 1.00 1.00 C ATOM 0 H THR A 14 73.836 3.889 -14.847 1.00 1.00 H new ATOM 0 HA THR A 14 74.866 5.278 -16.237 1.00 1.00 H new ATOM 0 HB THR A 14 74.727 3.409 -18.624 1.00 1.00 H new ATOM 0 HG1 THR A 14 75.504 1.903 -17.254 1.00 1.00 H new ATOM 0 HG21 THR A 14 77.016 4.260 -19.029 1.00 1.00 H new ATOM 0 HG22 THR A 14 75.851 5.594 -18.857 1.00 1.00 H new ATOM 0 HG23 THR A 14 76.941 5.185 -17.511 1.00 1.00 H new ATOM 243 N THR A 15 71.947 4.794 -17.399 1.00 1.00 N ATOM 244 CA THR A 15 70.832 5.451 -18.123 1.00 1.00 C ATOM 245 C THR A 15 69.578 5.564 -17.251 1.00 1.00 C ATOM 246 O THR A 15 69.203 4.630 -16.542 1.00 1.00 O ATOM 247 CB THR A 15 70.508 4.654 -19.410 1.00 1.00 C ATOM 248 OG1 THR A 15 70.528 3.269 -19.113 1.00 1.00 O ATOM 249 CG2 THR A 15 71.559 4.938 -20.497 1.00 1.00 C ATOM 0 H THR A 15 71.668 4.023 -16.792 1.00 1.00 H new ATOM 0 HA THR A 15 71.148 6.462 -18.382 1.00 1.00 H new ATOM 0 HB THR A 15 69.525 4.956 -19.773 1.00 1.00 H new ATOM 0 HG1 THR A 15 71.206 2.826 -19.665 1.00 1.00 H new ATOM 0 HG21 THR A 15 71.316 4.370 -21.395 1.00 1.00 H new ATOM 0 HG22 THR A 15 71.562 6.003 -20.731 1.00 1.00 H new ATOM 0 HG23 THR A 15 72.544 4.643 -20.136 1.00 1.00 H new ATOM 257 N ILE A 16 68.934 6.720 -17.344 1.00 1.00 N ATOM 258 CA ILE A 16 67.710 6.942 -16.580 1.00 1.00 C ATOM 259 C ILE A 16 66.589 6.080 -17.164 1.00 1.00 C ATOM 260 O ILE A 16 65.970 5.295 -16.448 1.00 1.00 O ATOM 261 CB ILE A 16 67.290 8.424 -16.636 1.00 1.00 C ATOM 262 CG1 ILE A 16 68.359 9.306 -15.967 1.00 1.00 C ATOM 263 CG2 ILE A 16 65.945 8.611 -15.914 1.00 1.00 C ATOM 264 CD1 ILE A 16 68.116 10.779 -16.325 1.00 1.00 C ATOM 0 H ILE A 16 69.229 7.504 -17.927 1.00 1.00 H new ATOM 0 HA ILE A 16 67.894 6.670 -15.541 1.00 1.00 H new ATOM 0 HB ILE A 16 67.187 8.720 -17.680 1.00 1.00 H new ATOM 0 HG12 ILE A 16 68.327 9.175 -14.885 1.00 1.00 H new ATOM 0 HG13 ILE A 16 69.353 9.001 -16.296 1.00 1.00 H new ATOM 0 HG21 ILE A 16 65.652 9.660 -15.956 1.00 1.00 H new ATOM 0 HG22 ILE A 16 65.183 8.002 -16.400 1.00 1.00 H new ATOM 0 HG23 ILE A 16 66.045 8.304 -14.873 1.00 1.00 H new ATOM 0 HD11 ILE A 16 68.875 11.399 -15.849 1.00 1.00 H new ATOM 0 HD12 ILE A 16 68.171 10.904 -17.406 1.00 1.00 H new ATOM 0 HD13 ILE A 16 67.129 11.081 -15.974 1.00 1.00 H new ATOM 276 N ASP A 17 66.268 6.291 -18.430 1.00 1.00 N ATOM 277 CA ASP A 17 65.142 5.587 -19.038 1.00 1.00 C ATOM 278 C ASP A 17 65.227 4.078 -18.793 1.00 1.00 C ATOM 279 O ASP A 17 64.222 3.369 -18.774 1.00 1.00 O ATOM 280 CB ASP A 17 65.094 5.867 -20.546 1.00 1.00 C ATOM 281 CG ASP A 17 66.311 5.253 -21.231 1.00 1.00 C ATOM 282 OD1 ASP A 17 67.415 5.531 -20.795 1.00 1.00 O ATOM 283 OD2 ASP A 17 66.120 4.512 -22.181 1.00 1.00 O ATOM 0 H ASP A 17 66.760 6.933 -19.052 1.00 1.00 H new ATOM 0 HA ASP A 17 64.229 5.956 -18.571 1.00 1.00 H new ATOM 0 HB2 ASP A 17 64.180 5.453 -20.972 1.00 1.00 H new ATOM 0 HB3 ASP A 17 65.070 6.942 -20.724 1.00 1.00 H new ATOM 288 N THR A 18 66.464 3.626 -18.550 1.00 1.00 N ATOM 289 CA THR A 18 66.724 2.202 -18.235 1.00 1.00 C ATOM 290 C THR A 18 66.385 1.923 -16.773 1.00 1.00 C ATOM 291 O THR A 18 65.775 0.903 -16.454 1.00 1.00 O ATOM 292 CB THR A 18 68.162 1.798 -18.555 1.00 1.00 C ATOM 293 OG1 THR A 18 68.497 2.248 -19.860 1.00 1.00 O ATOM 294 CG2 THR A 18 68.303 0.277 -18.489 1.00 1.00 C ATOM 0 H THR A 18 67.298 4.214 -18.563 1.00 1.00 H new ATOM 0 HA THR A 18 66.080 1.593 -18.869 1.00 1.00 H new ATOM 0 HB THR A 18 68.834 2.251 -17.826 1.00 1.00 H new ATOM 0 HG1 THR A 18 69.426 2.561 -19.870 1.00 1.00 H new ATOM 0 HG21 THR A 18 69.331 -0.003 -18.718 1.00 1.00 H new ATOM 0 HG22 THR A 18 68.047 -0.069 -17.487 1.00 1.00 H new ATOM 0 HG23 THR A 18 67.631 -0.182 -19.214 1.00 1.00 H new ATOM 302 N LEU A 19 66.834 2.805 -15.882 1.00 1.00 N ATOM 303 CA LEU A 19 66.625 2.609 -14.442 1.00 1.00 C ATOM 304 C LEU A 19 65.184 2.165 -14.162 1.00 1.00 C ATOM 305 O LEU A 19 64.933 1.324 -13.316 1.00 1.00 O ATOM 306 CB LEU A 19 66.895 3.932 -13.693 1.00 1.00 C ATOM 307 CG LEU A 19 66.985 3.677 -12.151 1.00 1.00 C ATOM 308 CD1 LEU A 19 68.406 3.234 -11.749 1.00 1.00 C ATOM 309 CD2 LEU A 19 66.641 4.961 -11.373 1.00 1.00 C ATOM 0 H LEU A 19 67.341 3.656 -16.125 1.00 1.00 H new ATOM 0 HA LEU A 19 67.312 1.836 -14.097 1.00 1.00 H new ATOM 0 HB2 LEU A 19 67.824 4.376 -14.050 1.00 1.00 H new ATOM 0 HB3 LEU A 19 66.099 4.646 -13.904 1.00 1.00 H new ATOM 0 HG LEU A 19 66.273 2.889 -11.907 1.00 1.00 H new ATOM 0 HD11 LEU A 19 68.443 3.063 -10.673 1.00 1.00 H new ATOM 0 HD12 LEU A 19 68.661 2.312 -12.272 1.00 1.00 H new ATOM 0 HD13 LEU A 19 69.120 4.013 -12.017 1.00 1.00 H new ATOM 0 HD21 LEU A 19 66.708 4.767 -10.303 1.00 1.00 H new ATOM 0 HD22 LEU A 19 67.343 5.750 -11.644 1.00 1.00 H new ATOM 0 HD23 LEU A 19 65.628 5.277 -11.622 1.00 1.00 H new ATOM 321 N GLU A 20 64.269 2.686 -14.959 1.00 1.00 N ATOM 322 CA GLU A 20 62.862 2.299 -14.865 1.00 1.00 C ATOM 323 C GLU A 20 62.718 0.833 -15.269 1.00 1.00 C ATOM 324 O GLU A 20 62.102 0.039 -14.557 1.00 1.00 O ATOM 325 CB GLU A 20 62.047 3.182 -15.811 1.00 1.00 C ATOM 326 CG GLU A 20 62.016 4.624 -15.275 1.00 1.00 C ATOM 327 CD GLU A 20 61.088 4.720 -14.068 1.00 1.00 C ATOM 328 OE1 GLU A 20 60.012 4.148 -14.125 1.00 1.00 O ATOM 329 OE2 GLU A 20 61.466 5.367 -13.105 1.00 1.00 O ATOM 0 H GLU A 20 64.469 3.379 -15.681 1.00 1.00 H new ATOM 0 HA GLU A 20 62.501 2.426 -13.844 1.00 1.00 H new ATOM 0 HB2 GLU A 20 62.485 3.164 -16.809 1.00 1.00 H new ATOM 0 HB3 GLU A 20 61.032 2.795 -15.901 1.00 1.00 H new ATOM 0 HG2 GLU A 20 63.022 4.937 -14.995 1.00 1.00 H new ATOM 0 HG3 GLU A 20 61.677 5.303 -16.058 1.00 1.00 H new ATOM 336 N ARG A 21 63.213 0.510 -16.448 1.00 1.00 N ATOM 337 CA ARG A 21 63.044 -0.849 -16.974 1.00 1.00 C ATOM 338 C ARG A 21 63.435 -1.891 -15.910 1.00 1.00 C ATOM 339 O ARG A 21 62.691 -2.844 -15.678 1.00 1.00 O ATOM 340 CB ARG A 21 63.907 -1.047 -18.224 1.00 1.00 C ATOM 341 CG ARG A 21 63.619 -2.434 -18.822 1.00 1.00 C ATOM 342 CD ARG A 21 64.324 -2.603 -20.178 1.00 1.00 C ATOM 343 NE ARG A 21 64.179 -3.979 -20.647 1.00 1.00 N ATOM 344 CZ ARG A 21 64.927 -4.454 -21.639 1.00 1.00 C ATOM 345 NH1 ARG A 21 65.813 -3.686 -22.213 1.00 1.00 N ATOM 346 NH2 ARG A 21 64.775 -5.688 -22.039 1.00 1.00 N ATOM 0 H ARG A 21 63.726 1.148 -17.056 1.00 1.00 H new ATOM 0 HA ARG A 21 61.995 -0.984 -17.237 1.00 1.00 H new ATOM 0 HB2 ARG A 21 63.691 -0.270 -18.957 1.00 1.00 H new ATOM 0 HB3 ARG A 21 64.963 -0.960 -17.969 1.00 1.00 H new ATOM 0 HG2 ARG A 21 63.956 -3.209 -18.133 1.00 1.00 H new ATOM 0 HG3 ARG A 21 62.544 -2.565 -18.947 1.00 1.00 H new ATOM 0 HD2 ARG A 21 63.898 -1.914 -20.907 1.00 1.00 H new ATOM 0 HD3 ARG A 21 65.380 -2.352 -20.082 1.00 1.00 H new ATOM 0 HE ARG A 21 63.490 -4.588 -20.205 1.00 1.00 H new ATOM 0 HH11 ARG A 21 65.931 -2.722 -21.901 1.00 1.00 H new ATOM 0 HH12 ARG A 21 66.387 -4.050 -22.974 1.00 1.00 H new ATOM 0 HH21 ARG A 21 64.082 -6.288 -21.591 1.00 1.00 H new ATOM 0 HH22 ARG A 21 65.349 -6.052 -22.800 1.00 1.00 H new ATOM 360 N VAL A 22 64.585 -1.714 -15.269 1.00 1.00 N ATOM 361 CA VAL A 22 65.036 -2.655 -14.238 1.00 1.00 C ATOM 362 C VAL A 22 64.109 -2.621 -12.994 1.00 1.00 C ATOM 363 O VAL A 22 63.719 -3.665 -12.472 1.00 1.00 O ATOM 364 CB VAL A 22 66.499 -2.279 -13.870 1.00 1.00 C ATOM 365 CG1 VAL A 22 66.919 -2.894 -12.519 1.00 1.00 C ATOM 366 CG2 VAL A 22 67.450 -2.766 -14.983 1.00 1.00 C ATOM 0 H VAL A 22 65.221 -0.935 -15.440 1.00 1.00 H new ATOM 0 HA VAL A 22 64.995 -3.676 -14.617 1.00 1.00 H new ATOM 0 HB VAL A 22 66.558 -1.195 -13.777 1.00 1.00 H new ATOM 0 HG11 VAL A 22 67.947 -2.610 -12.294 1.00 1.00 H new ATOM 0 HG12 VAL A 22 66.261 -2.527 -11.732 1.00 1.00 H new ATOM 0 HG13 VAL A 22 66.846 -3.980 -12.575 1.00 1.00 H new ATOM 0 HG21 VAL A 22 68.476 -2.503 -14.726 1.00 1.00 H new ATOM 0 HG22 VAL A 22 67.368 -3.848 -15.084 1.00 1.00 H new ATOM 0 HG23 VAL A 22 67.179 -2.292 -15.926 1.00 1.00 H new ATOM 376 N ILE A 23 63.859 -1.420 -12.479 1.00 1.00 N ATOM 377 CA ILE A 23 63.083 -1.287 -11.225 1.00 1.00 C ATOM 378 C ILE A 23 61.836 -2.209 -11.254 1.00 1.00 C ATOM 379 O ILE A 23 61.596 -2.935 -10.289 1.00 1.00 O ATOM 380 CB ILE A 23 62.675 0.193 -10.964 1.00 1.00 C ATOM 381 CG1 ILE A 23 63.920 1.022 -10.527 1.00 1.00 C ATOM 382 CG2 ILE A 23 61.617 0.267 -9.836 1.00 1.00 C ATOM 383 CD1 ILE A 23 63.669 2.517 -10.772 1.00 1.00 C ATOM 0 H ILE A 23 64.168 -0.539 -12.889 1.00 1.00 H new ATOM 0 HA ILE A 23 63.723 -1.601 -10.401 1.00 1.00 H new ATOM 0 HB ILE A 23 62.261 0.599 -11.887 1.00 1.00 H new ATOM 0 HG12 ILE A 23 64.130 0.848 -9.472 1.00 1.00 H new ATOM 0 HG13 ILE A 23 64.798 0.696 -11.085 1.00 1.00 H new ATOM 0 HG21 ILE A 23 61.341 1.307 -9.664 1.00 1.00 H new ATOM 0 HG22 ILE A 23 60.733 -0.300 -10.129 1.00 1.00 H new ATOM 0 HG23 ILE A 23 62.031 -0.155 -8.920 1.00 1.00 H new ATOM 0 HD11 ILE A 23 64.545 3.088 -10.464 1.00 1.00 H new ATOM 0 HD12 ILE A 23 63.481 2.685 -11.832 1.00 1.00 H new ATOM 0 HD13 ILE A 23 62.803 2.840 -10.194 1.00 1.00 H new ATOM 395 N GLU A 24 61.061 -2.205 -12.333 1.00 1.00 N ATOM 396 CA GLU A 24 59.883 -3.084 -12.396 1.00 1.00 C ATOM 397 C GLU A 24 60.302 -4.561 -12.226 1.00 1.00 C ATOM 398 O GLU A 24 59.571 -5.384 -11.677 1.00 1.00 O ATOM 399 CB GLU A 24 59.144 -2.901 -13.729 1.00 1.00 C ATOM 400 CG GLU A 24 57.964 -3.881 -13.805 1.00 1.00 C ATOM 401 CD GLU A 24 57.029 -3.501 -14.950 1.00 1.00 C ATOM 402 OE1 GLU A 24 57.253 -2.467 -15.556 1.00 1.00 O ATOM 403 OE2 GLU A 24 56.100 -4.252 -15.201 1.00 1.00 O ATOM 0 H GLU A 24 61.214 -1.624 -13.157 1.00 1.00 H new ATOM 0 HA GLU A 24 59.211 -2.812 -11.582 1.00 1.00 H new ATOM 0 HB2 GLU A 24 58.784 -1.876 -13.819 1.00 1.00 H new ATOM 0 HB3 GLU A 24 59.827 -3.073 -14.561 1.00 1.00 H new ATOM 0 HG2 GLU A 24 58.335 -4.896 -13.951 1.00 1.00 H new ATOM 0 HG3 GLU A 24 57.416 -3.874 -12.863 1.00 1.00 H new ATOM 410 N LYS A 25 61.500 -4.843 -12.704 1.00 1.00 N ATOM 411 CA LYS A 25 62.027 -6.215 -12.593 1.00 1.00 C ATOM 412 C LYS A 25 62.152 -6.544 -11.087 1.00 1.00 C ATOM 413 O LYS A 25 61.575 -7.518 -10.603 1.00 1.00 O ATOM 414 CB LYS A 25 63.376 -6.380 -13.361 1.00 1.00 C ATOM 415 CG LYS A 25 63.638 -7.877 -13.659 1.00 1.00 C ATOM 416 CD LYS A 25 65.026 -8.086 -14.318 1.00 1.00 C ATOM 417 CE LYS A 25 65.198 -7.169 -15.543 1.00 1.00 C ATOM 418 NZ LYS A 25 66.265 -7.721 -16.424 1.00 1.00 N ATOM 0 H LYS A 25 62.119 -4.173 -13.161 1.00 1.00 H new ATOM 0 HA LYS A 25 61.347 -6.924 -13.064 1.00 1.00 H new ATOM 0 HB2 LYS A 25 63.344 -5.816 -14.293 1.00 1.00 H new ATOM 0 HB3 LYS A 25 64.194 -5.971 -12.768 1.00 1.00 H new ATOM 0 HG2 LYS A 25 63.583 -8.449 -12.733 1.00 1.00 H new ATOM 0 HG3 LYS A 25 62.859 -8.261 -14.318 1.00 1.00 H new ATOM 0 HD2 LYS A 25 65.812 -7.880 -13.592 1.00 1.00 H new ATOM 0 HD3 LYS A 25 65.136 -9.127 -14.620 1.00 1.00 H new ATOM 0 HE2 LYS A 25 64.259 -7.096 -16.092 1.00 1.00 H new ATOM 0 HE3 LYS A 25 65.460 -6.160 -15.223 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 66.384 -7.104 -17.253 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 67.160 -7.769 -15.897 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 65.996 -8.675 -16.738 1.00 1.00 H new ATOM 432 N ASN A 26 62.895 -5.711 -10.364 1.00 1.00 N ATOM 433 CA ASN A 26 63.115 -5.849 -8.920 1.00 1.00 C ATOM 434 C ASN A 26 61.817 -5.971 -8.129 1.00 1.00 C ATOM 435 O ASN A 26 61.797 -6.412 -6.987 1.00 1.00 O ATOM 436 CB ASN A 26 63.812 -4.572 -8.449 1.00 1.00 C ATOM 437 CG ASN A 26 65.178 -4.471 -9.111 1.00 1.00 C ATOM 438 OD1 ASN A 26 65.320 -3.756 -10.186 1.00 1.00 O flip ATOM 439 ND2 ASN A 26 66.146 -5.062 -8.631 1.00 1.00 N flip ATOM 0 H ASN A 26 63.372 -4.905 -10.769 1.00 1.00 H new ATOM 0 HA ASN A 26 63.697 -6.755 -8.752 1.00 1.00 H new ATOM 0 HB2 ASN A 26 63.208 -3.700 -8.701 1.00 1.00 H new ATOM 0 HB3 ASN A 26 63.921 -4.582 -7.364 1.00 1.00 H new ATOM 0 HD21 ASN A 26 66.034 -5.623 -7.787 1.00 1.00 H new ATOM 0 HD22 ASN A 26 67.060 -4.990 -9.078 1.00 1.00 H new ATOM 446 N LYS A 27 60.780 -5.425 -8.715 1.00 1.00 N ATOM 447 CA LYS A 27 59.503 -5.296 -8.029 1.00 1.00 C ATOM 448 C LYS A 27 59.043 -6.568 -7.312 1.00 1.00 C ATOM 449 O LYS A 27 58.665 -6.473 -6.145 1.00 1.00 O ATOM 450 CB LYS A 27 58.448 -4.869 -9.043 1.00 1.00 C ATOM 451 CG LYS A 27 57.133 -4.454 -8.345 1.00 1.00 C ATOM 452 CD LYS A 27 56.214 -3.804 -9.388 1.00 1.00 C ATOM 453 CE LYS A 27 54.813 -3.630 -8.799 1.00 1.00 C ATOM 454 NZ LYS A 27 54.927 -3.142 -7.397 1.00 1.00 N ATOM 0 H LYS A 27 60.788 -5.060 -9.667 1.00 1.00 H new ATOM 0 HA LYS A 27 59.638 -4.548 -7.247 1.00 1.00 H new ATOM 0 HB2 LYS A 27 58.826 -4.036 -9.635 1.00 1.00 H new ATOM 0 HB3 LYS A 27 58.252 -5.689 -9.734 1.00 1.00 H new ATOM 0 HG2 LYS A 27 56.648 -5.324 -7.902 1.00 1.00 H new ATOM 0 HG3 LYS A 27 57.339 -3.756 -7.533 1.00 1.00 H new ATOM 0 HD2 LYS A 27 56.616 -2.837 -9.689 1.00 1.00 H new ATOM 0 HD3 LYS A 27 56.169 -4.423 -10.284 1.00 1.00 H new ATOM 0 HE2 LYS A 27 54.240 -2.922 -9.397 1.00 1.00 H new ATOM 0 HE3 LYS A 27 54.275 -4.578 -8.824 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 54.053 -2.646 -7.130 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 55.076 -3.950 -6.759 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 55.733 -2.489 -7.321 1.00 1.00 H new ATOM 468 N TYR A 28 59.003 -7.749 -7.945 1.00 1.00 N ATOM 469 CA TYR A 28 58.504 -8.949 -7.244 1.00 1.00 C ATOM 470 C TYR A 28 59.602 -9.733 -6.512 1.00 1.00 C ATOM 471 O TYR A 28 59.320 -10.395 -5.513 1.00 1.00 O ATOM 472 CB TYR A 28 57.834 -9.862 -8.279 1.00 1.00 C ATOM 473 CG TYR A 28 56.643 -9.141 -8.874 1.00 1.00 C ATOM 474 CD1 TYR A 28 56.824 -8.273 -9.958 1.00 1.00 C ATOM 475 CD2 TYR A 28 55.361 -9.328 -8.335 1.00 1.00 C ATOM 476 CE1 TYR A 28 55.728 -7.594 -10.505 1.00 1.00 C ATOM 477 CE2 TYR A 28 54.265 -8.646 -8.882 1.00 1.00 C ATOM 478 CZ TYR A 28 54.449 -7.779 -9.967 1.00 1.00 C ATOM 479 OH TYR A 28 53.371 -7.104 -10.504 1.00 1.00 O ATOM 0 H TYR A 28 59.299 -7.902 -8.909 1.00 1.00 H new ATOM 0 HA TYR A 28 57.803 -8.615 -6.479 1.00 1.00 H new ATOM 0 HB2 TYR A 28 58.544 -10.127 -9.063 1.00 1.00 H new ATOM 0 HB3 TYR A 28 57.515 -10.793 -7.810 1.00 1.00 H new ATOM 0 HD1 TYR A 28 57.810 -8.127 -10.373 1.00 1.00 H new ATOM 0 HD2 TYR A 28 55.219 -9.997 -7.499 1.00 1.00 H new ATOM 0 HE1 TYR A 28 55.870 -6.927 -11.343 1.00 1.00 H new ATOM 0 HE2 TYR A 28 53.278 -8.789 -8.467 1.00 1.00 H new ATOM 0 HH TYR A 28 52.557 -7.346 -10.015 1.00 1.00 H new ATOM 489 N GLU A 29 60.840 -9.699 -7.012 1.00 1.00 N ATOM 490 CA GLU A 29 61.931 -10.466 -6.378 1.00 1.00 C ATOM 491 C GLU A 29 62.441 -9.813 -5.084 1.00 1.00 C ATOM 492 O GLU A 29 63.256 -10.400 -4.372 1.00 1.00 O ATOM 493 CB GLU A 29 63.089 -10.678 -7.363 1.00 1.00 C ATOM 494 CG GLU A 29 63.563 -9.331 -7.955 1.00 1.00 C ATOM 495 CD GLU A 29 64.990 -9.453 -8.499 1.00 1.00 C ATOM 496 OE1 GLU A 29 65.846 -9.909 -7.759 1.00 1.00 O ATOM 497 OE2 GLU A 29 65.203 -9.087 -9.644 1.00 1.00 O ATOM 0 H GLU A 29 61.115 -9.163 -7.835 1.00 1.00 H new ATOM 0 HA GLU A 29 61.514 -11.435 -6.103 1.00 1.00 H new ATOM 0 HB2 GLU A 29 63.919 -11.169 -6.855 1.00 1.00 H new ATOM 0 HB3 GLU A 29 62.771 -11.341 -8.167 1.00 1.00 H new ATOM 0 HG2 GLU A 29 62.889 -9.021 -8.754 1.00 1.00 H new ATOM 0 HG3 GLU A 29 63.525 -8.557 -7.188 1.00 1.00 H new ATOM 504 N LEU A 30 61.909 -8.632 -4.744 1.00 1.00 N ATOM 505 CA LEU A 30 62.258 -7.925 -3.488 1.00 1.00 C ATOM 506 C LEU A 30 60.956 -7.808 -2.683 1.00 1.00 C ATOM 507 O LEU A 30 60.712 -8.604 -1.777 1.00 1.00 O ATOM 508 CB LEU A 30 62.864 -6.515 -3.796 1.00 1.00 C ATOM 509 CG LEU A 30 64.399 -6.495 -3.723 1.00 1.00 C ATOM 510 CD1 LEU A 30 65.016 -7.481 -4.714 1.00 1.00 C ATOM 511 CD2 LEU A 30 64.897 -5.085 -4.061 1.00 1.00 C ATOM 0 H LEU A 30 61.229 -8.136 -5.321 1.00 1.00 H new ATOM 0 HA LEU A 30 63.015 -8.469 -2.923 1.00 1.00 H new ATOM 0 HB2 LEU A 30 62.548 -6.199 -4.790 1.00 1.00 H new ATOM 0 HB3 LEU A 30 62.462 -5.790 -3.088 1.00 1.00 H new ATOM 0 HG LEU A 30 64.696 -6.783 -2.715 1.00 1.00 H new ATOM 0 HD11 LEU A 30 66.103 -7.442 -4.637 1.00 1.00 H new ATOM 0 HD12 LEU A 30 64.672 -8.490 -4.486 1.00 1.00 H new ATOM 0 HD13 LEU A 30 64.714 -7.215 -5.727 1.00 1.00 H new ATOM 0 HD21 LEU A 30 65.986 -5.062 -4.011 1.00 1.00 H new ATOM 0 HD22 LEU A 30 64.574 -4.816 -5.067 1.00 1.00 H new ATOM 0 HD23 LEU A 30 64.486 -4.373 -3.345 1.00 1.00 H new ATOM 523 N SER A 31 60.133 -6.821 -3.064 1.00 1.00 N ATOM 524 CA SER A 31 58.832 -6.543 -2.470 1.00 1.00 C ATOM 525 C SER A 31 58.905 -5.306 -1.604 1.00 1.00 C ATOM 526 O SER A 31 59.971 -4.912 -1.140 1.00 1.00 O ATOM 527 CB SER A 31 58.246 -7.718 -1.673 1.00 1.00 C ATOM 528 OG SER A 31 58.907 -7.815 -0.417 1.00 1.00 O ATOM 0 H SER A 31 60.369 -6.177 -3.819 1.00 1.00 H new ATOM 0 HA SER A 31 58.150 -6.375 -3.304 1.00 1.00 H new ATOM 0 HB2 SER A 31 57.176 -7.572 -1.523 1.00 1.00 H new ATOM 0 HB3 SER A 31 58.366 -8.646 -2.232 1.00 1.00 H new ATOM 0 HG SER A 31 59.728 -8.340 -0.519 1.00 1.00 H new ATOM 534 N ASP A 32 57.748 -4.678 -1.477 1.00 1.00 N ATOM 535 CA ASP A 32 57.617 -3.410 -0.751 1.00 1.00 C ATOM 536 C ASP A 32 58.578 -3.374 0.469 1.00 1.00 C ATOM 537 O ASP A 32 59.326 -2.417 0.662 1.00 1.00 O ATOM 538 CB ASP A 32 56.177 -3.322 -0.259 1.00 1.00 C ATOM 539 CG ASP A 32 55.975 -2.093 0.628 1.00 1.00 C ATOM 540 OD1 ASP A 32 55.902 -1.003 0.087 1.00 1.00 O ATOM 541 OD2 ASP A 32 55.893 -2.263 1.834 1.00 1.00 O ATOM 0 H ASP A 32 56.873 -5.024 -1.869 1.00 1.00 H new ATOM 0 HA ASP A 32 57.869 -2.575 -1.405 1.00 1.00 H new ATOM 0 HB2 ASP A 32 55.500 -3.275 -1.112 1.00 1.00 H new ATOM 0 HB3 ASP A 32 55.924 -4.223 0.299 1.00 1.00 H new ATOM 546 N ASP A 33 58.488 -4.409 1.293 1.00 1.00 N ATOM 547 CA ASP A 33 59.271 -4.529 2.529 1.00 1.00 C ATOM 548 C ASP A 33 60.771 -4.217 2.334 1.00 1.00 C ATOM 549 O ASP A 33 61.453 -3.565 3.124 1.00 1.00 O ATOM 550 CB ASP A 33 59.236 -6.034 2.876 1.00 1.00 C ATOM 551 CG ASP A 33 59.949 -6.284 4.204 1.00 1.00 C ATOM 552 OD1 ASP A 33 61.169 -6.281 4.206 1.00 1.00 O ATOM 553 OD2 ASP A 33 59.265 -6.472 5.197 1.00 1.00 O ATOM 0 H ASP A 33 57.865 -5.200 1.126 1.00 1.00 H new ATOM 0 HA ASP A 33 58.858 -3.843 3.268 1.00 1.00 H new ATOM 0 HB2 ASP A 33 58.203 -6.377 2.939 1.00 1.00 H new ATOM 0 HB3 ASP A 33 59.715 -6.609 2.083 1.00 1.00 H new ATOM 558 N GLU A 34 61.189 -4.783 1.205 1.00 1.00 N ATOM 559 CA GLU A 34 62.559 -4.727 0.685 1.00 1.00 C ATOM 560 C GLU A 34 62.829 -3.447 -0.123 1.00 1.00 C ATOM 561 O GLU A 34 63.864 -2.802 0.037 1.00 1.00 O ATOM 562 CB GLU A 34 62.830 -5.995 -0.154 1.00 1.00 C ATOM 563 CG GLU A 34 63.034 -7.212 0.763 1.00 1.00 C ATOM 564 CD GLU A 34 63.392 -8.437 -0.069 1.00 1.00 C ATOM 565 OE1 GLU A 34 64.526 -8.521 -0.506 1.00 1.00 O ATOM 566 OE2 GLU A 34 62.527 -9.275 -0.257 1.00 1.00 O ATOM 0 H GLU A 34 60.561 -5.314 0.602 1.00 1.00 H new ATOM 0 HA GLU A 34 63.248 -4.695 1.529 1.00 1.00 H new ATOM 0 HB2 GLU A 34 61.994 -6.177 -0.830 1.00 1.00 H new ATOM 0 HB3 GLU A 34 63.714 -5.846 -0.774 1.00 1.00 H new ATOM 0 HG2 GLU A 34 63.827 -7.007 1.483 1.00 1.00 H new ATOM 0 HG3 GLU A 34 62.126 -7.403 1.335 1.00 1.00 H new ATOM 573 N LEU A 35 61.945 -3.177 -1.068 1.00 1.00 N ATOM 574 CA LEU A 35 62.109 -2.079 -2.024 1.00 1.00 C ATOM 575 C LEU A 35 62.642 -0.790 -1.366 1.00 1.00 C ATOM 576 O LEU A 35 63.109 0.100 -2.078 1.00 1.00 O ATOM 577 CB LEU A 35 60.714 -1.797 -2.699 1.00 1.00 C ATOM 578 CG LEU A 35 60.606 -2.317 -4.162 1.00 1.00 C ATOM 579 CD1 LEU A 35 61.531 -1.516 -5.101 1.00 1.00 C ATOM 580 CD2 LEU A 35 60.930 -3.829 -4.257 1.00 1.00 C ATOM 0 H LEU A 35 61.087 -3.712 -1.200 1.00 1.00 H new ATOM 0 HA LEU A 35 62.850 -2.381 -2.764 1.00 1.00 H new ATOM 0 HB2 LEU A 35 59.931 -2.261 -2.100 1.00 1.00 H new ATOM 0 HB3 LEU A 35 60.528 -0.723 -2.691 1.00 1.00 H new ATOM 0 HG LEU A 35 59.573 -2.173 -4.479 1.00 1.00 H new ATOM 0 HD11 LEU A 35 61.437 -1.899 -6.117 1.00 1.00 H new ATOM 0 HD12 LEU A 35 61.246 -0.464 -5.082 1.00 1.00 H new ATOM 0 HD13 LEU A 35 62.564 -1.619 -4.769 1.00 1.00 H new ATOM 0 HD21 LEU A 35 60.844 -4.155 -5.294 1.00 1.00 H new ATOM 0 HD22 LEU A 35 61.946 -4.006 -3.904 1.00 1.00 H new ATOM 0 HD23 LEU A 35 60.228 -4.391 -3.640 1.00 1.00 H new ATOM 592 N GLU A 36 62.549 -0.645 -0.037 1.00 1.00 N ATOM 593 CA GLU A 36 63.016 0.609 0.575 1.00 1.00 C ATOM 594 C GLU A 36 64.479 0.830 0.146 1.00 1.00 C ATOM 595 O GLU A 36 64.941 1.926 -0.152 1.00 1.00 O ATOM 596 CB GLU A 36 62.913 0.541 2.106 1.00 1.00 C ATOM 597 CG GLU A 36 61.441 0.531 2.548 1.00 1.00 C ATOM 598 CD GLU A 36 61.355 0.653 4.064 1.00 1.00 C ATOM 599 OE1 GLU A 36 62.272 1.208 4.646 1.00 1.00 O ATOM 600 OE2 GLU A 36 60.374 0.188 4.621 1.00 1.00 O ATOM 0 H GLU A 36 62.175 -1.341 0.608 1.00 1.00 H new ATOM 0 HA GLU A 36 62.393 1.439 0.242 1.00 1.00 H new ATOM 0 HB2 GLU A 36 63.414 -0.356 2.470 1.00 1.00 H new ATOM 0 HB3 GLU A 36 63.426 1.395 2.549 1.00 1.00 H new ATOM 0 HG2 GLU A 36 60.905 1.355 2.077 1.00 1.00 H new ATOM 0 HG3 GLU A 36 60.960 -0.391 2.221 1.00 1.00 H new ATOM 607 N LEU A 37 65.149 -0.319 0.155 1.00 1.00 N ATOM 608 CA LEU A 37 66.569 -0.415 -0.206 1.00 1.00 C ATOM 609 C LEU A 37 66.734 0.222 -1.588 1.00 1.00 C ATOM 610 O LEU A 37 67.567 1.103 -1.791 1.00 1.00 O ATOM 611 CB LEU A 37 67.005 -1.901 -0.279 1.00 1.00 C ATOM 612 CG LEU A 37 67.227 -2.494 1.143 1.00 1.00 C ATOM 613 CD1 LEU A 37 67.084 -4.024 1.095 1.00 1.00 C ATOM 614 CD2 LEU A 37 68.643 -2.164 1.667 1.00 1.00 C ATOM 0 H LEU A 37 64.728 -1.212 0.412 1.00 1.00 H new ATOM 0 HA LEU A 37 67.182 0.091 0.540 1.00 1.00 H new ATOM 0 HB2 LEU A 37 66.245 -2.480 -0.803 1.00 1.00 H new ATOM 0 HB3 LEU A 37 67.925 -1.985 -0.858 1.00 1.00 H new ATOM 0 HG LEU A 37 66.482 -2.055 1.806 1.00 1.00 H new ATOM 0 HD11 LEU A 37 67.240 -4.435 2.092 1.00 1.00 H new ATOM 0 HD12 LEU A 37 66.085 -4.285 0.747 1.00 1.00 H new ATOM 0 HD13 LEU A 37 67.826 -4.438 0.412 1.00 1.00 H new ATOM 0 HD21 LEU A 37 68.771 -2.590 2.662 1.00 1.00 H new ATOM 0 HD22 LEU A 37 69.388 -2.586 0.993 1.00 1.00 H new ATOM 0 HD23 LEU A 37 68.770 -1.083 1.716 1.00 1.00 H new ATOM 626 N PHE A 38 65.948 -0.259 -2.528 1.00 1.00 N ATOM 627 CA PHE A 38 65.987 0.204 -3.910 1.00 1.00 C ATOM 628 C PHE A 38 65.600 1.690 -4.038 1.00 1.00 C ATOM 629 O PHE A 38 66.164 2.425 -4.832 1.00 1.00 O ATOM 630 CB PHE A 38 64.997 -0.702 -4.738 1.00 1.00 C ATOM 631 CG PHE A 38 65.673 -1.302 -5.953 1.00 1.00 C ATOM 632 CD1 PHE A 38 66.637 -2.293 -5.771 1.00 1.00 C ATOM 633 CD2 PHE A 38 65.349 -0.863 -7.238 1.00 1.00 C ATOM 634 CE1 PHE A 38 67.285 -2.849 -6.871 1.00 1.00 C ATOM 635 CE2 PHE A 38 65.990 -1.418 -8.342 1.00 1.00 C ATOM 636 CZ PHE A 38 66.964 -2.411 -8.162 1.00 1.00 C ATOM 0 H PHE A 38 65.256 -0.989 -2.359 1.00 1.00 H new ATOM 0 HA PHE A 38 67.005 0.123 -4.292 1.00 1.00 H new ATOM 0 HB2 PHE A 38 64.616 -1.501 -4.102 1.00 1.00 H new ATOM 0 HB3 PHE A 38 64.139 -0.109 -5.054 1.00 1.00 H new ATOM 0 HD1 PHE A 38 66.882 -2.630 -4.775 1.00 1.00 H new ATOM 0 HD2 PHE A 38 64.603 -0.095 -7.375 1.00 1.00 H new ATOM 0 HE1 PHE A 38 68.033 -3.615 -6.729 1.00 1.00 H new ATOM 0 HE2 PHE A 38 65.737 -1.084 -9.337 1.00 1.00 H new ATOM 0 HZ PHE A 38 67.466 -2.837 -9.018 1.00 1.00 H new ATOM 646 N TYR A 39 64.648 2.105 -3.221 1.00 1.00 N ATOM 647 CA TYR A 39 64.213 3.520 -3.251 1.00 1.00 C ATOM 648 C TYR A 39 65.247 4.405 -2.567 1.00 1.00 C ATOM 649 O TYR A 39 65.780 5.333 -3.178 1.00 1.00 O ATOM 650 CB TYR A 39 62.804 3.707 -2.679 1.00 1.00 C ATOM 651 CG TYR A 39 61.780 3.218 -3.695 1.00 1.00 C ATOM 652 CD1 TYR A 39 61.666 3.867 -4.941 1.00 1.00 C ATOM 653 CD2 TYR A 39 60.960 2.114 -3.408 1.00 1.00 C ATOM 654 CE1 TYR A 39 60.739 3.407 -5.885 1.00 1.00 C ATOM 655 CE2 TYR A 39 60.037 1.661 -4.357 1.00 1.00 C ATOM 656 CZ TYR A 39 59.928 2.305 -5.594 1.00 1.00 C ATOM 657 OH TYR A 39 59.015 1.856 -6.526 1.00 1.00 O ATOM 0 H TYR A 39 64.165 1.516 -2.543 1.00 1.00 H new ATOM 0 HA TYR A 39 64.147 3.832 -4.293 1.00 1.00 H new ATOM 0 HB2 TYR A 39 62.701 3.153 -1.746 1.00 1.00 H new ATOM 0 HB3 TYR A 39 62.630 4.758 -2.446 1.00 1.00 H new ATOM 0 HD1 TYR A 39 62.292 4.717 -5.167 1.00 1.00 H new ATOM 0 HD2 TYR A 39 61.042 1.614 -2.454 1.00 1.00 H new ATOM 0 HE1 TYR A 39 60.650 3.904 -6.840 1.00 1.00 H new ATOM 0 HE2 TYR A 39 59.407 0.812 -4.134 1.00 1.00 H new ATOM 0 HH TYR A 39 58.534 1.082 -6.166 1.00 1.00 H new ATOM 667 N SER A 40 65.530 4.127 -1.328 1.00 1.00 N ATOM 668 CA SER A 40 66.503 4.906 -0.588 1.00 1.00 C ATOM 669 C SER A 40 67.851 4.958 -1.321 1.00 1.00 C ATOM 670 O SER A 40 68.574 5.953 -1.257 1.00 1.00 O ATOM 671 CB SER A 40 66.689 4.246 0.773 1.00 1.00 C ATOM 672 OG SER A 40 67.421 5.111 1.631 1.00 1.00 O ATOM 0 H SER A 40 65.104 3.366 -0.799 1.00 1.00 H new ATOM 0 HA SER A 40 66.144 5.930 -0.484 1.00 1.00 H new ATOM 0 HB2 SER A 40 65.718 4.019 1.213 1.00 1.00 H new ATOM 0 HB3 SER A 40 67.217 3.299 0.659 1.00 1.00 H new ATOM 0 HG SER A 40 67.537 4.683 2.505 1.00 1.00 H new ATOM 678 N ALA A 41 68.185 3.845 -1.991 1.00 1.00 N ATOM 679 CA ALA A 41 69.483 3.746 -2.718 1.00 1.00 C ATOM 680 C ALA A 41 69.435 4.397 -4.114 1.00 1.00 C ATOM 681 O ALA A 41 70.264 5.246 -4.443 1.00 1.00 O ATOM 682 CB ALA A 41 69.918 2.285 -2.833 1.00 1.00 C ATOM 0 H ALA A 41 67.598 3.013 -2.052 1.00 1.00 H new ATOM 0 HA ALA A 41 70.216 4.300 -2.132 1.00 1.00 H new ATOM 0 HB1 ALA A 41 70.867 2.229 -3.366 1.00 1.00 H new ATOM 0 HB2 ALA A 41 70.036 1.861 -1.836 1.00 1.00 H new ATOM 0 HB3 ALA A 41 69.161 1.722 -3.379 1.00 1.00 H new ATOM 688 N ALA A 42 68.530 3.904 -4.959 1.00 1.00 N ATOM 689 CA ALA A 42 68.448 4.336 -6.365 1.00 1.00 C ATOM 690 C ALA A 42 68.390 5.853 -6.588 1.00 1.00 C ATOM 691 O ALA A 42 68.906 6.349 -7.585 1.00 1.00 O ATOM 692 CB ALA A 42 67.178 3.754 -6.990 1.00 1.00 C ATOM 0 H ALA A 42 67.838 3.202 -4.698 1.00 1.00 H new ATOM 0 HA ALA A 42 69.371 3.978 -6.821 1.00 1.00 H new ATOM 0 HB1 ALA A 42 67.108 4.068 -8.031 1.00 1.00 H new ATOM 0 HB2 ALA A 42 67.214 2.666 -6.941 1.00 1.00 H new ATOM 0 HB3 ALA A 42 66.306 4.113 -6.443 1.00 1.00 H new ATOM 698 N ASP A 43 67.721 6.586 -5.707 1.00 1.00 N ATOM 699 CA ASP A 43 67.587 8.032 -5.900 1.00 1.00 C ATOM 700 C ASP A 43 68.961 8.674 -6.094 1.00 1.00 C ATOM 701 O ASP A 43 69.160 9.440 -7.020 1.00 1.00 O ATOM 702 CB ASP A 43 66.848 8.662 -4.701 1.00 1.00 C ATOM 703 CG ASP A 43 66.204 9.994 -5.094 1.00 1.00 C ATOM 704 OD1 ASP A 43 66.617 10.557 -6.093 1.00 1.00 O ATOM 705 OD2 ASP A 43 65.307 10.425 -4.388 1.00 1.00 O ATOM 0 H ASP A 43 67.271 6.218 -4.869 1.00 1.00 H new ATOM 0 HA ASP A 43 66.999 8.215 -6.799 1.00 1.00 H new ATOM 0 HB2 ASP A 43 66.082 7.976 -4.340 1.00 1.00 H new ATOM 0 HB3 ASP A 43 67.547 8.820 -3.880 1.00 1.00 H new ATOM 710 N HIS A 44 69.860 8.382 -5.165 1.00 1.00 N ATOM 711 CA HIS A 44 71.210 8.962 -5.166 1.00 1.00 C ATOM 712 C HIS A 44 71.802 8.965 -6.586 1.00 1.00 C ATOM 713 O HIS A 44 72.433 9.934 -7.009 1.00 1.00 O ATOM 714 CB HIS A 44 72.089 8.120 -4.242 1.00 1.00 C ATOM 715 CG HIS A 44 71.627 8.279 -2.817 1.00 1.00 C ATOM 716 ND1 HIS A 44 70.290 8.190 -2.463 1.00 1.00 N ATOM 717 CD2 HIS A 44 72.310 8.515 -1.648 1.00 1.00 C ATOM 718 CE1 HIS A 44 70.210 8.373 -1.132 1.00 1.00 C ATOM 719 NE2 HIS A 44 71.412 8.573 -0.586 1.00 1.00 N ATOM 0 H HIS A 44 69.683 7.742 -4.391 1.00 1.00 H new ATOM 0 HA HIS A 44 71.165 9.994 -4.819 1.00 1.00 H new ATOM 0 HB2 HIS A 44 72.041 7.071 -4.535 1.00 1.00 H new ATOM 0 HB3 HIS A 44 73.130 8.429 -4.333 1.00 1.00 H new ATOM 0 HD2 HIS A 44 73.380 8.637 -1.566 1.00 1.00 H new ATOM 0 HE1 HIS A 44 69.286 8.360 -0.573 1.00 1.00 H new ATOM 0 HE2 HIS A 44 71.626 8.734 0.398 1.00 1.00 H new ATOM 728 N ARG A 45 71.575 7.884 -7.303 1.00 1.00 N ATOM 729 CA ARG A 45 72.045 7.715 -8.683 1.00 1.00 C ATOM 730 C ARG A 45 71.311 8.659 -9.673 1.00 1.00 C ATOM 731 O ARG A 45 71.723 8.824 -10.804 1.00 1.00 O ATOM 732 CB ARG A 45 71.840 6.238 -9.093 1.00 1.00 C ATOM 733 CG ARG A 45 72.199 5.992 -10.582 1.00 1.00 C ATOM 734 CD ARG A 45 73.633 6.479 -10.948 1.00 1.00 C ATOM 735 NE ARG A 45 74.037 5.925 -12.234 1.00 1.00 N ATOM 736 CZ ARG A 45 75.242 6.174 -12.741 1.00 1.00 C ATOM 737 NH1 ARG A 45 76.110 6.871 -12.058 1.00 1.00 N ATOM 738 NH2 ARG A 45 75.567 5.697 -13.911 1.00 1.00 N ATOM 0 H ARG A 45 71.053 7.082 -6.949 1.00 1.00 H new ATOM 0 HA ARG A 45 73.102 7.980 -8.726 1.00 1.00 H new ATOM 0 HB2 ARG A 45 72.456 5.598 -8.461 1.00 1.00 H new ATOM 0 HB3 ARG A 45 70.802 5.954 -8.919 1.00 1.00 H new ATOM 0 HG2 ARG A 45 72.116 4.927 -10.799 1.00 1.00 H new ATOM 0 HG3 ARG A 45 71.474 6.504 -11.215 1.00 1.00 H new ATOM 0 HD2 ARG A 45 73.656 7.568 -10.989 1.00 1.00 H new ATOM 0 HD3 ARG A 45 74.338 6.174 -10.174 1.00 1.00 H new ATOM 0 HE ARG A 45 73.386 5.337 -12.754 1.00 1.00 H new ATOM 0 HH11 ARG A 45 75.865 7.226 -11.134 1.00 1.00 H new ATOM 0 HH12 ARG A 45 77.033 7.060 -12.449 1.00 1.00 H new ATOM 0 HH21 ARG A 45 74.898 5.134 -14.436 1.00 1.00 H new ATOM 0 HH22 ARG A 45 76.490 5.887 -14.301 1.00 1.00 H new ATOM 752 N LEU A 46 70.218 9.279 -9.249 1.00 1.00 N ATOM 753 CA LEU A 46 69.464 10.193 -10.141 1.00 1.00 C ATOM 754 C LEU A 46 70.111 11.600 -10.296 1.00 1.00 C ATOM 755 O LEU A 46 70.240 12.097 -11.414 1.00 1.00 O ATOM 756 CB LEU A 46 68.008 10.297 -9.640 1.00 1.00 C ATOM 757 CG LEU A 46 67.093 11.068 -10.671 1.00 1.00 C ATOM 758 CD1 LEU A 46 65.676 10.463 -10.708 1.00 1.00 C ATOM 759 CD2 LEU A 46 66.961 12.555 -10.288 1.00 1.00 C ATOM 0 H LEU A 46 69.827 9.178 -8.312 1.00 1.00 H new ATOM 0 HA LEU A 46 69.487 9.763 -11.142 1.00 1.00 H new ATOM 0 HB2 LEU A 46 67.607 9.297 -9.474 1.00 1.00 H new ATOM 0 HB3 LEU A 46 67.989 10.812 -8.679 1.00 1.00 H new ATOM 0 HG LEU A 46 67.567 10.974 -11.648 1.00 1.00 H new ATOM 0 HD11 LEU A 46 65.065 11.011 -11.425 1.00 1.00 H new ATOM 0 HD12 LEU A 46 65.735 9.416 -11.007 1.00 1.00 H new ATOM 0 HD13 LEU A 46 65.224 10.533 -9.718 1.00 1.00 H new ATOM 0 HD21 LEU A 46 66.326 13.063 -11.014 1.00 1.00 H new ATOM 0 HD22 LEU A 46 66.516 12.637 -9.296 1.00 1.00 H new ATOM 0 HD23 LEU A 46 67.948 13.018 -10.282 1.00 1.00 H new ATOM 771 N ALA A 47 70.472 12.258 -9.186 1.00 1.00 N ATOM 772 CA ALA A 47 71.055 13.626 -9.249 1.00 1.00 C ATOM 773 C ALA A 47 72.358 13.659 -10.070 1.00 1.00 C ATOM 774 O ALA A 47 72.610 14.570 -10.852 1.00 1.00 O ATOM 775 CB ALA A 47 71.329 14.138 -7.838 1.00 1.00 C ATOM 0 H ALA A 47 70.377 11.882 -8.243 1.00 1.00 H new ATOM 0 HA ALA A 47 70.329 14.270 -9.746 1.00 1.00 H new ATOM 0 HB1 ALA A 47 71.756 15.140 -7.891 1.00 1.00 H new ATOM 0 HB2 ALA A 47 70.396 14.170 -7.275 1.00 1.00 H new ATOM 0 HB3 ALA A 47 72.031 13.470 -7.339 1.00 1.00 H new ATOM 781 N GLU A 48 73.129 12.609 -9.904 1.00 1.00 N ATOM 782 CA GLU A 48 74.369 12.480 -10.684 1.00 1.00 C ATOM 783 C GLU A 48 73.951 12.452 -12.166 1.00 1.00 C ATOM 784 O GLU A 48 74.438 13.245 -12.970 1.00 1.00 O ATOM 785 CB GLU A 48 75.251 11.273 -10.240 1.00 1.00 C ATOM 786 CG GLU A 48 74.848 9.969 -10.913 1.00 1.00 C ATOM 787 CD GLU A 48 75.332 9.904 -12.366 1.00 1.00 C ATOM 788 OE1 GLU A 48 75.929 10.860 -12.824 1.00 1.00 O ATOM 789 OE2 GLU A 48 75.106 8.887 -12.996 1.00 1.00 O ATOM 0 H GLU A 48 72.940 11.843 -9.258 1.00 1.00 H new ATOM 0 HA GLU A 48 75.030 13.328 -10.507 1.00 1.00 H new ATOM 0 HB2 GLU A 48 76.295 11.488 -10.470 1.00 1.00 H new ATOM 0 HB3 GLU A 48 75.180 11.155 -9.159 1.00 1.00 H new ATOM 0 HG2 GLU A 48 75.261 9.129 -10.355 1.00 1.00 H new ATOM 0 HG3 GLU A 48 73.763 9.867 -10.886 1.00 1.00 H new ATOM 796 N LEU A 49 73.050 11.539 -12.509 1.00 1.00 N ATOM 797 CA LEU A 49 72.559 11.394 -13.879 1.00 1.00 C ATOM 798 C LEU A 49 71.980 12.705 -14.407 1.00 1.00 C ATOM 799 O LEU A 49 72.098 13.006 -15.596 1.00 1.00 O ATOM 800 CB LEU A 49 71.444 10.317 -13.896 1.00 1.00 C ATOM 801 CG LEU A 49 72.051 8.890 -13.793 1.00 1.00 C ATOM 802 CD1 LEU A 49 70.919 7.885 -13.550 1.00 1.00 C ATOM 803 CD2 LEU A 49 72.825 8.504 -15.099 1.00 1.00 C ATOM 0 H LEU A 49 72.639 10.879 -11.849 1.00 1.00 H new ATOM 0 HA LEU A 49 73.396 11.106 -14.515 1.00 1.00 H new ATOM 0 HB2 LEU A 49 70.757 10.485 -13.066 1.00 1.00 H new ATOM 0 HB3 LEU A 49 70.863 10.404 -14.814 1.00 1.00 H new ATOM 0 HG LEU A 49 72.760 8.872 -12.965 1.00 1.00 H new ATOM 0 HD11 LEU A 49 71.334 6.880 -13.476 1.00 1.00 H new ATOM 0 HD12 LEU A 49 70.404 8.134 -12.622 1.00 1.00 H new ATOM 0 HD13 LEU A 49 70.212 7.926 -14.379 1.00 1.00 H new ATOM 0 HD21 LEU A 49 73.237 7.500 -14.994 1.00 1.00 H new ATOM 0 HD22 LEU A 49 72.142 8.529 -15.948 1.00 1.00 H new ATOM 0 HD23 LEU A 49 73.636 9.214 -15.265 1.00 1.00 H new ATOM 815 N THR A 50 71.334 13.468 -13.530 1.00 1.00 N ATOM 816 CA THR A 50 70.718 14.729 -13.945 1.00 1.00 C ATOM 817 C THR A 50 71.771 15.593 -14.633 1.00 1.00 C ATOM 818 O THR A 50 71.485 16.264 -15.625 1.00 1.00 O ATOM 819 CB THR A 50 70.091 15.431 -12.725 1.00 1.00 C ATOM 820 OG1 THR A 50 69.179 14.534 -12.109 1.00 1.00 O ATOM 821 CG2 THR A 50 69.332 16.727 -13.115 1.00 1.00 C ATOM 0 H THR A 50 71.223 13.242 -12.542 1.00 1.00 H new ATOM 0 HA THR A 50 69.914 14.546 -14.658 1.00 1.00 H new ATOM 0 HB THR A 50 70.897 15.712 -12.047 1.00 1.00 H new ATOM 0 HG1 THR A 50 69.668 13.762 -11.755 1.00 1.00 H new ATOM 0 HG21 THR A 50 68.909 17.184 -12.220 1.00 1.00 H new ATOM 0 HG22 THR A 50 70.023 17.425 -13.587 1.00 1.00 H new ATOM 0 HG23 THR A 50 68.530 16.483 -13.812 1.00 1.00 H new ATOM 829 N MET A 51 73.011 15.506 -14.149 1.00 1.00 N ATOM 830 CA MET A 51 74.149 16.207 -14.761 1.00 1.00 C ATOM 831 C MET A 51 74.909 15.123 -15.543 1.00 1.00 C ATOM 832 O MET A 51 74.432 14.704 -16.595 1.00 1.00 O ATOM 833 CB MET A 51 75.036 16.929 -13.680 1.00 1.00 C ATOM 834 CG MET A 51 74.670 16.492 -12.250 1.00 1.00 C ATOM 835 SD MET A 51 75.504 17.591 -11.076 1.00 1.00 S ATOM 836 CE MET A 51 77.211 17.178 -11.518 1.00 1.00 C ATOM 0 H MET A 51 73.257 14.953 -13.328 1.00 1.00 H new ATOM 0 HA MET A 51 73.833 17.013 -15.424 1.00 1.00 H new ATOM 0 HB2 MET A 51 76.087 16.710 -13.868 1.00 1.00 H new ATOM 0 HB3 MET A 51 74.913 18.008 -13.772 1.00 1.00 H new ATOM 0 HG2 MET A 51 73.590 16.535 -12.106 1.00 1.00 H new ATOM 0 HG3 MET A 51 74.973 15.459 -12.081 1.00 1.00 H new ATOM 0 HE1 MET A 51 77.870 17.411 -10.682 1.00 1.00 H new ATOM 0 HE2 MET A 51 77.280 16.115 -11.749 1.00 1.00 H new ATOM 0 HE3 MET A 51 77.512 17.759 -12.390 1.00 1.00 H new ATOM 846 N ASN A 52 76.019 14.609 -15.000 1.00 1.00 N ATOM 847 CA ASN A 52 76.738 13.507 -15.655 1.00 1.00 C ATOM 848 C ASN A 52 78.009 13.116 -14.876 1.00 1.00 C ATOM 849 O ASN A 52 78.978 12.647 -15.474 1.00 1.00 O ATOM 850 CB ASN A 52 77.100 13.852 -17.124 1.00 1.00 C ATOM 851 CG ASN A 52 77.635 15.279 -17.220 1.00 1.00 C ATOM 852 OD1 ASN A 52 76.982 16.221 -16.773 1.00 1.00 O ATOM 853 ND2 ASN A 52 78.793 15.496 -17.785 1.00 1.00 N ATOM 0 H ASN A 52 76.434 14.930 -14.125 1.00 1.00 H new ATOM 0 HA ASN A 52 76.061 12.652 -15.660 1.00 1.00 H new ATOM 0 HB2 ASN A 52 77.848 13.151 -17.495 1.00 1.00 H new ATOM 0 HB3 ASN A 52 76.219 13.744 -17.757 1.00 1.00 H new ATOM 0 HD21 ASN A 52 79.156 16.447 -17.856 1.00 1.00 H new ATOM 0 HD22 ASN A 52 79.334 14.715 -18.155 1.00 1.00 H new ATOM 860 N LYS A 53 78.014 13.302 -13.539 1.00 1.00 N ATOM 861 CA LYS A 53 79.190 12.956 -12.702 1.00 1.00 C ATOM 862 C LYS A 53 78.829 11.873 -11.681 1.00 1.00 C ATOM 863 O LYS A 53 78.157 10.902 -12.013 1.00 1.00 O ATOM 864 CB LYS A 53 79.722 14.202 -11.983 1.00 1.00 C ATOM 865 CG LYS A 53 80.025 15.312 -13.004 1.00 1.00 C ATOM 866 CD LYS A 53 80.853 16.433 -12.342 1.00 1.00 C ATOM 867 CE LYS A 53 81.245 17.466 -13.399 1.00 1.00 C ATOM 868 NZ LYS A 53 81.942 18.609 -12.743 1.00 1.00 N ATOM 0 H LYS A 53 77.226 13.686 -13.017 1.00 1.00 H new ATOM 0 HA LYS A 53 79.970 12.568 -13.357 1.00 1.00 H new ATOM 0 HB2 LYS A 53 78.988 14.554 -11.258 1.00 1.00 H new ATOM 0 HB3 LYS A 53 80.625 13.952 -11.426 1.00 1.00 H new ATOM 0 HG2 LYS A 53 80.572 14.898 -13.851 1.00 1.00 H new ATOM 0 HG3 LYS A 53 79.093 15.721 -13.395 1.00 1.00 H new ATOM 0 HD2 LYS A 53 80.274 16.908 -11.550 1.00 1.00 H new ATOM 0 HD3 LYS A 53 81.746 16.015 -11.877 1.00 1.00 H new ATOM 0 HE2 LYS A 53 81.895 17.010 -14.145 1.00 1.00 H new ATOM 0 HE3 LYS A 53 80.357 17.820 -13.923 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 82.209 19.312 -13.462 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 81.307 19.050 -12.047 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 82.797 18.264 -12.262 1.00 1.00 H new ATOM 882 N LEU A 54 79.342 12.004 -10.452 1.00 1.00 N ATOM 883 CA LEU A 54 79.129 10.997 -9.397 1.00 1.00 C ATOM 884 C LEU A 54 78.757 11.655 -8.068 1.00 1.00 C ATOM 885 O LEU A 54 79.616 12.277 -7.442 1.00 1.00 O ATOM 886 CB LEU A 54 80.469 10.258 -9.223 1.00 1.00 C ATOM 887 CG LEU A 54 80.465 9.328 -7.987 1.00 1.00 C ATOM 888 CD1 LEU A 54 79.196 8.461 -7.964 1.00 1.00 C ATOM 889 CD2 LEU A 54 81.703 8.421 -8.040 1.00 1.00 C ATOM 0 H LEU A 54 79.910 12.799 -10.160 1.00 1.00 H new ATOM 0 HA LEU A 54 78.315 10.328 -9.678 1.00 1.00 H new ATOM 0 HB2 LEU A 54 80.677 9.671 -10.117 1.00 1.00 H new ATOM 0 HB3 LEU A 54 81.274 10.986 -9.125 1.00 1.00 H new ATOM 0 HG LEU A 54 80.484 9.938 -7.084 1.00 1.00 H new ATOM 0 HD11 LEU A 54 79.213 7.814 -7.087 1.00 1.00 H new ATOM 0 HD12 LEU A 54 78.317 9.104 -7.924 1.00 1.00 H new ATOM 0 HD13 LEU A 54 79.157 7.849 -8.865 1.00 1.00 H new ATOM 0 HD21 LEU A 54 81.708 7.762 -7.172 1.00 1.00 H new ATOM 0 HD22 LEU A 54 81.677 7.822 -8.950 1.00 1.00 H new ATOM 0 HD23 LEU A 54 82.604 9.034 -8.035 1.00 1.00 H new ATOM 901 N TYR A 55 77.502 11.518 -7.597 1.00 1.00 N ATOM 902 CA TYR A 55 77.119 12.122 -6.292 1.00 1.00 C ATOM 903 C TYR A 55 77.518 11.108 -5.209 1.00 1.00 C ATOM 904 O TYR A 55 78.504 10.425 -5.444 1.00 1.00 O ATOM 905 CB TYR A 55 75.610 12.476 -6.289 1.00 1.00 C ATOM 906 CG TYR A 55 75.366 13.859 -6.890 1.00 1.00 C ATOM 907 CD1 TYR A 55 76.198 14.366 -7.901 1.00 1.00 C ATOM 908 CD2 TYR A 55 74.304 14.645 -6.413 1.00 1.00 C ATOM 909 CE1 TYR A 55 75.971 15.634 -8.420 1.00 1.00 C ATOM 910 CE2 TYR A 55 74.083 15.924 -6.938 1.00 1.00 C ATOM 911 CZ TYR A 55 74.919 16.417 -7.940 1.00 1.00 C ATOM 912 OH TYR A 55 74.708 17.674 -8.458 1.00 1.00 O ATOM 0 H TYR A 55 76.755 11.014 -8.075 1.00 1.00 H new ATOM 0 HA TYR A 55 77.633 13.064 -6.101 1.00 1.00 H new ATOM 0 HB2 TYR A 55 75.057 11.727 -6.856 1.00 1.00 H new ATOM 0 HB3 TYR A 55 75.229 12.448 -5.268 1.00 1.00 H new ATOM 0 HD1 TYR A 55 77.016 13.769 -8.276 1.00 1.00 H new ATOM 0 HD2 TYR A 55 73.656 14.262 -5.639 1.00 1.00 H new ATOM 0 HE1 TYR A 55 76.612 16.017 -9.200 1.00 1.00 H new ATOM 0 HE2 TYR A 55 73.267 16.527 -6.568 1.00 1.00 H new ATOM 0 HH TYR A 55 74.512 17.604 -9.416 1.00 1.00 H new ATOM 922 N ASP A 56 76.766 10.987 -4.079 1.00 1.00 N ATOM 923 CA ASP A 56 77.063 9.998 -3.002 1.00 1.00 C ATOM 924 C ASP A 56 76.652 10.518 -1.600 1.00 1.00 C ATOM 925 O ASP A 56 77.494 10.634 -0.716 1.00 1.00 O ATOM 926 CB ASP A 56 78.560 9.527 -2.989 1.00 1.00 C ATOM 927 CG ASP A 56 78.919 8.737 -1.723 1.00 1.00 C ATOM 928 OD1 ASP A 56 78.024 8.143 -1.146 1.00 1.00 O ATOM 929 OD2 ASP A 56 80.081 8.746 -1.351 1.00 1.00 O ATOM 0 H ASP A 56 75.947 11.564 -3.890 1.00 1.00 H new ATOM 0 HA ASP A 56 76.452 9.127 -3.240 1.00 1.00 H new ATOM 0 HB2 ASP A 56 78.750 8.907 -3.865 1.00 1.00 H new ATOM 0 HB3 ASP A 56 79.212 10.397 -3.067 1.00 1.00 H new ATOM 934 N LYS A 57 75.344 10.759 -1.396 1.00 1.00 N ATOM 935 CA LYS A 57 74.700 11.167 -0.127 1.00 1.00 C ATOM 936 C LYS A 57 73.876 12.384 -0.533 1.00 1.00 C ATOM 937 O LYS A 57 74.511 13.386 -0.866 1.00 1.00 O ATOM 938 CB LYS A 57 75.666 11.505 1.038 1.00 1.00 C ATOM 939 CG LYS A 57 76.235 10.198 1.686 1.00 1.00 C ATOM 940 CD LYS A 57 77.618 10.468 2.321 1.00 1.00 C ATOM 941 CE LYS A 57 77.953 9.372 3.336 1.00 1.00 C ATOM 942 NZ LYS A 57 79.289 9.640 3.938 1.00 1.00 N ATOM 0 H LYS A 57 74.667 10.670 -2.153 1.00 1.00 H new ATOM 0 HA LYS A 57 74.123 10.341 0.288 1.00 1.00 H new ATOM 0 HB2 LYS A 57 76.487 12.120 0.669 1.00 1.00 H new ATOM 0 HB3 LYS A 57 75.142 12.092 1.792 1.00 1.00 H new ATOM 0 HG2 LYS A 57 75.545 9.831 2.446 1.00 1.00 H new ATOM 0 HG3 LYS A 57 76.321 9.418 0.930 1.00 1.00 H new ATOM 0 HD2 LYS A 57 78.383 10.502 1.545 1.00 1.00 H new ATOM 0 HD3 LYS A 57 77.618 11.441 2.812 1.00 1.00 H new ATOM 0 HE2 LYS A 57 77.192 9.339 4.115 1.00 1.00 H new ATOM 0 HE3 LYS A 57 77.952 8.397 2.848 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 79.515 8.895 4.627 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 80.011 9.650 3.190 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 79.275 10.563 4.418 1.00 1.00 H new ATOM 956 N ILE A 58 72.530 12.367 -0.607 1.00 1.00 N ATOM 957 CA ILE A 58 71.785 13.562 -1.108 1.00 1.00 C ATOM 958 C ILE A 58 70.862 14.212 -0.038 1.00 1.00 C ATOM 959 O ILE A 58 69.868 13.599 0.351 1.00 1.00 O ATOM 960 CB ILE A 58 70.922 13.120 -2.340 1.00 1.00 C ATOM 961 CG1 ILE A 58 71.803 13.033 -3.625 1.00 1.00 C ATOM 962 CG2 ILE A 58 69.764 14.137 -2.611 1.00 1.00 C ATOM 963 CD1 ILE A 58 73.002 12.087 -3.450 1.00 1.00 C ATOM 0 H ILE A 58 71.945 11.575 -0.340 1.00 1.00 H new ATOM 0 HA ILE A 58 72.521 14.319 -1.379 1.00 1.00 H new ATOM 0 HB ILE A 58 70.503 12.142 -2.105 1.00 1.00 H new ATOM 0 HG12 ILE A 58 71.191 12.689 -4.459 1.00 1.00 H new ATOM 0 HG13 ILE A 58 72.164 14.029 -3.883 1.00 1.00 H new ATOM 0 HG21 ILE A 58 69.182 13.805 -3.471 1.00 1.00 H new ATOM 0 HG22 ILE A 58 69.117 14.194 -1.735 1.00 1.00 H new ATOM 0 HG23 ILE A 58 70.185 15.121 -2.816 1.00 1.00 H new ATOM 0 HD11 ILE A 58 73.583 12.062 -4.372 1.00 1.00 H new ATOM 0 HD12 ILE A 58 73.631 12.444 -2.634 1.00 1.00 H new ATOM 0 HD13 ILE A 58 72.643 11.084 -3.219 1.00 1.00 H new ATOM 975 N PRO A 59 71.066 15.465 0.337 1.00 1.00 N ATOM 976 CA PRO A 59 70.103 16.177 1.234 1.00 1.00 C ATOM 977 C PRO A 59 68.674 16.099 0.637 1.00 1.00 C ATOM 978 O PRO A 59 68.524 15.934 -0.574 1.00 1.00 O ATOM 979 CB PRO A 59 70.624 17.638 1.214 1.00 1.00 C ATOM 980 CG PRO A 59 72.088 17.491 1.007 1.00 1.00 C ATOM 981 CD PRO A 59 72.222 16.338 0.006 1.00 1.00 C ATOM 0 HA PRO A 59 70.045 15.758 2.239 1.00 1.00 H new ATOM 0 HB2 PRO A 59 70.163 18.216 0.413 1.00 1.00 H new ATOM 0 HB3 PRO A 59 70.402 18.154 2.148 1.00 1.00 H new ATOM 0 HG2 PRO A 59 72.527 18.409 0.616 1.00 1.00 H new ATOM 0 HG3 PRO A 59 72.600 17.266 1.942 1.00 1.00 H new ATOM 0 HD2 PRO A 59 72.177 16.692 -1.024 1.00 1.00 H new ATOM 0 HD3 PRO A 59 73.170 15.812 0.122 1.00 1.00 H new ATOM 989 N PRO A 60 67.642 16.223 1.435 1.00 1.00 N ATOM 990 CA PRO A 60 66.223 16.171 0.938 1.00 1.00 C ATOM 991 C PRO A 60 65.904 17.378 0.037 1.00 1.00 C ATOM 992 O PRO A 60 64.885 17.411 -0.652 1.00 1.00 O ATOM 993 CB PRO A 60 65.389 16.181 2.242 1.00 1.00 C ATOM 994 CG PRO A 60 66.269 16.882 3.233 1.00 1.00 C ATOM 995 CD PRO A 60 67.699 16.442 2.891 1.00 1.00 C ATOM 0 HA PRO A 60 66.015 15.300 0.317 1.00 1.00 H new ATOM 0 HB2 PRO A 60 64.444 16.706 2.107 1.00 1.00 H new ATOM 0 HB3 PRO A 60 65.148 15.170 2.569 1.00 1.00 H new ATOM 0 HG2 PRO A 60 66.162 17.964 3.157 1.00 1.00 H new ATOM 0 HG3 PRO A 60 66.007 16.607 4.255 1.00 1.00 H new ATOM 0 HD2 PRO A 60 68.430 17.206 3.155 1.00 1.00 H new ATOM 0 HD3 PRO A 60 67.980 15.534 3.425 1.00 1.00 H new ATOM 1003 N THR A 61 66.792 18.363 0.082 1.00 1.00 N ATOM 1004 CA THR A 61 66.653 19.601 -0.688 1.00 1.00 C ATOM 1005 C THR A 61 66.634 19.368 -2.197 1.00 1.00 C ATOM 1006 O THR A 61 65.909 20.036 -2.933 1.00 1.00 O ATOM 1007 CB THR A 61 67.845 20.499 -0.369 1.00 1.00 C ATOM 1008 OG1 THR A 61 67.907 20.722 1.032 1.00 1.00 O ATOM 1009 CG2 THR A 61 67.708 21.840 -1.098 1.00 1.00 C ATOM 0 H THR A 61 67.635 18.329 0.656 1.00 1.00 H new ATOM 0 HA THR A 61 65.701 20.052 -0.409 1.00 1.00 H new ATOM 0 HB THR A 61 68.759 20.008 -0.703 1.00 1.00 H new ATOM 0 HG1 THR A 61 68.673 21.297 1.238 1.00 1.00 H new ATOM 0 HG21 THR A 61 68.565 22.472 -0.862 1.00 1.00 H new ATOM 0 HG22 THR A 61 67.670 21.667 -2.174 1.00 1.00 H new ATOM 0 HG23 THR A 61 66.792 22.336 -0.778 1.00 1.00 H new ATOM 1017 N VAL A 62 67.493 18.470 -2.643 1.00 1.00 N ATOM 1018 CA VAL A 62 67.663 18.187 -4.064 1.00 1.00 C ATOM 1019 C VAL A 62 66.469 17.516 -4.749 1.00 1.00 C ATOM 1020 O VAL A 62 66.058 17.950 -5.824 1.00 1.00 O ATOM 1021 CB VAL A 62 68.859 17.257 -4.194 1.00 1.00 C ATOM 1022 CG1 VAL A 62 69.203 17.029 -5.672 1.00 1.00 C ATOM 1023 CG2 VAL A 62 70.062 17.881 -3.483 1.00 1.00 C ATOM 0 H VAL A 62 68.094 17.914 -2.034 1.00 1.00 H new ATOM 0 HA VAL A 62 67.786 19.150 -4.560 1.00 1.00 H new ATOM 0 HB VAL A 62 68.613 16.298 -3.739 1.00 1.00 H new ATOM 0 HG11 VAL A 62 70.061 16.361 -5.747 1.00 1.00 H new ATOM 0 HG12 VAL A 62 68.349 16.581 -6.179 1.00 1.00 H new ATOM 0 HG13 VAL A 62 69.444 17.983 -6.141 1.00 1.00 H new ATOM 0 HG21 VAL A 62 70.922 17.218 -3.573 1.00 1.00 H new ATOM 0 HG22 VAL A 62 70.296 18.843 -3.939 1.00 1.00 H new ATOM 0 HG23 VAL A 62 69.826 18.027 -2.429 1.00 1.00 H new ATOM 1033 N TRP A 63 65.949 16.420 -4.185 1.00 1.00 N ATOM 1034 CA TRP A 63 64.852 15.698 -4.853 1.00 1.00 C ATOM 1035 C TRP A 63 63.657 16.590 -5.127 1.00 1.00 C ATOM 1036 O TRP A 63 62.833 16.262 -5.982 1.00 1.00 O ATOM 1037 CB TRP A 63 64.422 14.403 -4.144 1.00 1.00 C ATOM 1038 CG TRP A 63 65.609 13.529 -3.830 1.00 1.00 C ATOM 1039 CD1 TRP A 63 65.850 12.998 -2.605 1.00 1.00 C ATOM 1040 CD2 TRP A 63 66.708 13.058 -4.697 1.00 1.00 C ATOM 1041 NE1 TRP A 63 67.013 12.262 -2.652 1.00 1.00 N ATOM 1042 CE2 TRP A 63 67.576 12.269 -3.906 1.00 1.00 C ATOM 1043 CE3 TRP A 63 67.061 13.235 -6.065 1.00 1.00 C ATOM 1044 CZ2 TRP A 63 68.723 11.687 -4.434 1.00 1.00 C ATOM 1045 CZ3 TRP A 63 68.224 12.656 -6.582 1.00 1.00 C ATOM 1046 CH2 TRP A 63 69.052 11.886 -5.771 1.00 1.00 C ATOM 0 H TRP A 63 66.255 16.021 -3.297 1.00 1.00 H new ATOM 0 HA TRP A 63 65.274 15.390 -5.810 1.00 1.00 H new ATOM 0 HB2 TRP A 63 63.895 14.649 -3.222 1.00 1.00 H new ATOM 0 HB3 TRP A 63 63.722 13.856 -4.775 1.00 1.00 H new ATOM 0 HD1 TRP A 63 65.229 13.131 -1.732 1.00 1.00 H new ATOM 0 HE1 TRP A 63 67.410 11.770 -1.851 1.00 1.00 H new ATOM 0 HE3 TRP A 63 66.424 13.822 -6.710 1.00 1.00 H new ATOM 0 HZ2 TRP A 63 69.359 11.080 -3.806 1.00 1.00 H new ATOM 0 HZ3 TRP A 63 68.482 12.808 -7.620 1.00 1.00 H new ATOM 0 HH2 TRP A 63 69.949 11.443 -6.179 1.00 1.00 H new ATOM 1057 N GLN A 64 63.630 17.782 -4.490 1.00 1.00 N ATOM 1058 CA GLN A 64 62.567 18.793 -4.801 1.00 1.00 C ATOM 1059 C GLN A 64 63.017 19.674 -5.979 1.00 1.00 C ATOM 1060 O GLN A 64 62.185 20.207 -6.713 1.00 1.00 O ATOM 1061 CB GLN A 64 62.122 19.607 -3.587 1.00 1.00 C ATOM 1062 CG GLN A 64 61.435 18.693 -2.573 1.00 1.00 C ATOM 1063 CD GLN A 64 61.113 19.481 -1.308 1.00 1.00 C ATOM 1064 OE1 GLN A 64 61.171 20.711 -1.311 1.00 1.00 O ATOM 1065 NE2 GLN A 64 60.778 18.845 -0.220 1.00 1.00 N ATOM 0 H GLN A 64 64.302 18.072 -3.780 1.00 1.00 H new ATOM 0 HA GLN A 64 61.671 18.249 -5.099 1.00 1.00 H new ATOM 0 HB2 GLN A 64 62.983 20.092 -3.128 1.00 1.00 H new ATOM 0 HB3 GLN A 64 61.439 20.398 -3.898 1.00 1.00 H new ATOM 0 HG2 GLN A 64 60.520 18.282 -3.000 1.00 1.00 H new ATOM 0 HG3 GLN A 64 62.082 17.849 -2.333 1.00 1.00 H new ATOM 0 HE21 GLN A 64 60.730 17.826 -0.219 1.00 1.00 H new ATOM 0 HE22 GLN A 64 60.564 19.366 0.630 1.00 1.00 H new ATOM 1074 N HIS A 65 64.341 19.839 -6.143 1.00 1.00 N ATOM 1075 CA HIS A 65 64.915 20.678 -7.216 1.00 1.00 C ATOM 1076 C HIS A 65 65.545 19.858 -8.338 1.00 1.00 C ATOM 1077 O HIS A 65 65.177 20.008 -9.503 1.00 1.00 O ATOM 1078 CB HIS A 65 65.995 21.576 -6.604 1.00 1.00 C ATOM 1079 CG HIS A 65 65.361 22.509 -5.606 1.00 1.00 C ATOM 1080 ND1 HIS A 65 65.635 22.436 -4.249 1.00 1.00 N ATOM 1081 CD2 HIS A 65 64.462 23.538 -5.752 1.00 1.00 C ATOM 1082 CE1 HIS A 65 64.914 23.395 -3.637 1.00 1.00 C ATOM 1083 NE2 HIS A 65 64.182 24.095 -4.507 1.00 1.00 N ATOM 0 H HIS A 65 65.040 19.400 -5.543 1.00 1.00 H new ATOM 0 HA HIS A 65 64.101 21.257 -7.651 1.00 1.00 H new ATOM 0 HB2 HIS A 65 66.757 20.967 -6.117 1.00 1.00 H new ATOM 0 HB3 HIS A 65 66.495 22.147 -7.386 1.00 1.00 H new ATOM 0 HD1 HIS A 65 66.268 21.776 -3.796 1.00 1.00 H new ATOM 0 HD2 HIS A 65 64.037 23.865 -6.690 1.00 1.00 H new ATOM 0 HE1 HIS A 65 64.926 23.576 -2.572 1.00 1.00 H new ATOM 1092 N VAL A 66 66.498 19.003 -7.991 1.00 1.00 N ATOM 1093 CA VAL A 66 67.176 18.183 -8.982 1.00 1.00 C ATOM 1094 C VAL A 66 67.791 19.070 -10.065 1.00 1.00 C ATOM 1095 O VAL A 66 67.630 18.813 -11.258 1.00 1.00 O ATOM 1096 CB VAL A 66 66.192 17.181 -9.616 1.00 1.00 C ATOM 1097 CG1 VAL A 66 66.960 16.033 -10.276 1.00 1.00 C ATOM 1098 CG2 VAL A 66 65.310 16.577 -8.539 1.00 1.00 C ATOM 0 H VAL A 66 66.817 18.861 -7.033 1.00 1.00 H new ATOM 0 HA VAL A 66 67.970 17.625 -8.487 1.00 1.00 H new ATOM 0 HB VAL A 66 65.593 17.714 -10.355 1.00 1.00 H new ATOM 0 HG11 VAL A 66 66.254 15.331 -10.721 1.00 1.00 H new ATOM 0 HG12 VAL A 66 67.613 16.431 -11.052 1.00 1.00 H new ATOM 0 HG13 VAL A 66 67.560 15.518 -9.526 1.00 1.00 H new ATOM 0 HG21 VAL A 66 64.616 15.869 -8.992 1.00 1.00 H new ATOM 0 HG22 VAL A 66 65.931 16.059 -7.808 1.00 1.00 H new ATOM 0 HG23 VAL A 66 64.749 17.368 -8.042 1.00 1.00 H new ATOM 1108 N LYS A 67 68.488 20.124 -9.633 1.00 1.00 N ATOM 1109 CA LYS A 67 69.124 21.069 -10.560 1.00 1.00 C ATOM 1110 C LYS A 67 70.354 21.710 -9.917 1.00 1.00 C ATOM 1111 O LYS A 67 71.422 21.770 -10.527 1.00 1.00 O ATOM 1112 CB LYS A 67 68.125 22.173 -10.958 1.00 1.00 C ATOM 1113 CG LYS A 67 67.056 21.611 -11.904 1.00 1.00 C ATOM 1114 CD LYS A 67 66.183 22.759 -12.420 1.00 1.00 C ATOM 1115 CE LYS A 67 64.969 22.194 -13.164 1.00 1.00 C ATOM 1116 NZ LYS A 67 64.072 21.492 -12.201 1.00 1.00 N ATOM 0 H LYS A 67 68.627 20.346 -8.647 1.00 1.00 H new ATOM 0 HA LYS A 67 69.434 20.518 -11.448 1.00 1.00 H new ATOM 0 HB2 LYS A 67 67.651 22.582 -10.066 1.00 1.00 H new ATOM 0 HB3 LYS A 67 68.654 22.993 -11.443 1.00 1.00 H new ATOM 0 HG2 LYS A 67 67.529 21.094 -12.739 1.00 1.00 H new ATOM 0 HG3 LYS A 67 66.441 20.878 -11.382 1.00 1.00 H new ATOM 0 HD2 LYS A 67 65.854 23.380 -11.587 1.00 1.00 H new ATOM 0 HD3 LYS A 67 66.763 23.399 -13.085 1.00 1.00 H new ATOM 0 HE2 LYS A 67 64.427 22.999 -13.660 1.00 1.00 H new ATOM 0 HE3 LYS A 67 65.296 21.503 -13.941 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 63.112 21.439 -12.597 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 64.430 20.530 -12.031 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 64.048 22.016 -11.303 1.00 1.00 H new ATOM 1130 N HIS A 68 70.195 22.202 -8.699 1.00 1.00 N ATOM 1131 CA HIS A 68 71.299 22.855 -8.001 1.00 1.00 C ATOM 1132 C HIS A 68 72.502 21.922 -7.869 1.00 1.00 C ATOM 1133 O HIS A 68 72.358 20.700 -7.849 1.00 1.00 O ATOM 1134 CB HIS A 68 70.844 23.311 -6.613 1.00 1.00 C ATOM 1135 CG HIS A 68 69.809 24.395 -6.753 1.00 1.00 C ATOM 1136 ND1 HIS A 68 68.451 24.138 -6.662 1.00 1.00 N ATOM 1137 CD2 HIS A 68 69.921 25.744 -6.984 1.00 1.00 C ATOM 1138 CE1 HIS A 68 67.805 25.305 -6.836 1.00 1.00 C ATOM 1139 NE2 HIS A 68 68.654 26.317 -7.037 1.00 1.00 N ATOM 0 H HIS A 68 69.321 22.164 -8.174 1.00 1.00 H new ATOM 0 HA HIS A 68 71.602 23.721 -8.589 1.00 1.00 H new ATOM 0 HB2 HIS A 68 70.430 22.468 -6.060 1.00 1.00 H new ATOM 0 HB3 HIS A 68 71.696 23.679 -6.042 1.00 1.00 H new ATOM 0 HD2 HIS A 68 70.851 26.279 -7.106 1.00 1.00 H new ATOM 0 HE1 HIS A 68 66.730 25.411 -6.816 1.00 1.00 H new ATOM 0 HE2 HIS A 68 68.423 27.298 -7.195 1.00 1.00 H new ATOM 1148 N HIS A 69 73.690 22.518 -7.777 1.00 1.00 N ATOM 1149 CA HIS A 69 74.926 21.755 -7.644 1.00 1.00 C ATOM 1150 C HIS A 69 76.097 22.710 -7.425 1.00 1.00 C ATOM 1151 O HIS A 69 75.897 23.912 -7.255 1.00 1.00 O ATOM 1152 CB HIS A 69 75.164 20.917 -8.905 1.00 1.00 C ATOM 1153 CG HIS A 69 75.150 21.817 -10.112 1.00 1.00 C ATOM 1154 ND1 HIS A 69 73.980 22.370 -10.609 1.00 1.00 N ATOM 1155 CD2 HIS A 69 76.156 22.276 -10.925 1.00 1.00 C ATOM 1156 CE1 HIS A 69 74.308 23.125 -11.674 1.00 1.00 C ATOM 1157 NE2 HIS A 69 75.622 23.102 -11.911 1.00 1.00 N ATOM 0 H HIS A 69 73.821 23.529 -7.792 1.00 1.00 H new ATOM 0 HA HIS A 69 74.843 21.086 -6.787 1.00 1.00 H new ATOM 0 HB2 HIS A 69 76.120 20.398 -8.835 1.00 1.00 H new ATOM 0 HB3 HIS A 69 74.393 20.153 -8.998 1.00 1.00 H new ATOM 0 HD1 HIS A 69 73.041 22.230 -10.236 1.00 1.00 H new ATOM 0 HD2 HIS A 69 77.203 22.033 -10.817 1.00 1.00 H new ATOM 0 HE1 HIS A 69 73.595 23.681 -12.265 1.00 1.00 H new ATOM 1166 N HIS A 70 77.320 22.178 -7.427 1.00 1.00 N ATOM 1167 CA HIS A 70 78.511 23.011 -7.223 1.00 1.00 C ATOM 1168 C HIS A 70 79.752 22.332 -7.794 1.00 1.00 C ATOM 1169 O HIS A 70 79.965 21.134 -7.602 1.00 1.00 O ATOM 1170 CB HIS A 70 78.714 23.271 -5.726 1.00 1.00 C ATOM 1171 CG HIS A 70 77.606 24.149 -5.209 1.00 1.00 C ATOM 1172 ND1 HIS A 70 76.389 23.855 -4.644 1.00 1.00 N flip ATOM 1173 CD2 HIS A 70 77.686 25.533 -5.234 1.00 1.00 C flip ATOM 1174 CE1 HIS A 70 75.724 25.035 -4.324 1.00 1.00 C flip ATOM 1175 NE2 HIS A 70 76.549 26.015 -4.700 1.00 1.00 N flip ATOM 0 H HIS A 70 77.513 21.186 -7.566 1.00 1.00 H new ATOM 0 HA HIS A 70 78.360 23.957 -7.743 1.00 1.00 H new ATOM 0 HB2 HIS A 70 78.727 22.327 -5.182 1.00 1.00 H new ATOM 0 HB3 HIS A 70 79.679 23.749 -5.558 1.00 1.00 H new ATOM 0 HD2 HIS A 70 78.511 26.118 -5.613 1.00 1.00 H new ATOM 0 HE1 HIS A 70 74.750 25.136 -3.869 1.00 1.00 H new ATOM 0 HE2 HIS A 70 76.342 27.008 -4.595 1.00 1.00 H new