USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 586 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 NoAdj : A 22 ASNHD21 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 22 ASNHD22 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD21 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD22 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Single : A 3 THR OG1 : rot 5:sc= 0.791 USER MOD Single : A 11 SER OG : rot 156:sc= -1.32 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 140:sc= -3.28! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= -1.95! (180deg=-1.95!) USER MOD Single : A 44 ASN : amide:sc= -5.88! K(o=-5.9!,f=-2.8) USER MOD Single : A 46 MET CE :methyl -170:sc= 0 (180deg=-0.128) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -10.4! C(o=-10!,f=-8!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 165:sc= -0.33 USER MOD Single : A 78 HIS : no HE2:sc= -4.44! C(o=-4.4!,f=-5.8!) USER MOD Single : A 79 GLN : amide:sc= -0.964 K(o=-0.96,f=-0.15) USER MOD Single : A 81 SER OG : rot 170:sc= -0.163 USER MOD Single : A 83 ASN : amide:sc= 0.287 X(o=0.29,f=-0.045) USER MOD Single : A 85 SER OG : rot -54:sc= -1.75! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 -5.759 28.915 -10.559 1.00 0.00 N ATOM 2 CA THR A 3 -5.864 27.529 -10.120 1.00 0.00 C ATOM 3 C THR A 3 -4.692 26.699 -10.635 1.00 0.00 C ATOM 4 O THR A 3 -3.629 27.235 -10.946 1.00 0.00 O ATOM 5 CB THR A 3 -7.180 26.887 -10.594 1.00 0.00 C ATOM 6 OG1 THR A 3 -8.057 27.893 -11.113 1.00 0.00 O ATOM 7 CG2 THR A 3 -7.865 26.150 -9.453 1.00 0.00 C ATOM 0 HA THR A 3 -5.847 27.541 -9.030 1.00 0.00 H new ATOM 0 HB THR A 3 -6.945 26.169 -11.380 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.593 28.756 -11.127 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.793 25.705 -9.812 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.207 25.365 -9.080 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.087 26.851 -8.648 1.00 0.00 H new ATOM 15 N ASP A 4 -4.895 25.389 -10.724 1.00 0.00 N ATOM 16 CA ASP A 4 -3.856 24.485 -11.202 1.00 0.00 C ATOM 17 C ASP A 4 -2.487 24.901 -10.673 1.00 0.00 C ATOM 18 O ASP A 4 -1.626 25.346 -11.432 1.00 0.00 O ATOM 19 CB ASP A 4 -3.837 24.458 -12.732 1.00 0.00 C ATOM 20 CG ASP A 4 -2.598 23.783 -13.284 1.00 0.00 C ATOM 21 OD1 ASP A 4 -2.369 22.600 -12.953 1.00 0.00 O ATOM 22 OD2 ASP A 4 -1.856 24.436 -14.047 1.00 0.00 O ATOM 0 H ASP A 4 -5.770 24.930 -10.471 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.081 23.485 -10.831 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.723 23.937 -13.094 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.891 25.479 -13.111 1.00 0.00 H new ATOM 27 N ILE A 5 -2.294 24.753 -9.367 1.00 0.00 N ATOM 28 CA ILE A 5 -1.033 25.112 -8.735 1.00 0.00 C ATOM 29 C ILE A 5 -0.073 23.921 -8.723 1.00 0.00 C ATOM 30 O ILE A 5 -0.416 22.836 -9.190 1.00 0.00 O ATOM 31 CB ILE A 5 -1.263 25.638 -7.293 1.00 0.00 C ATOM 32 CG1 ILE A 5 -0.382 26.860 -7.032 1.00 0.00 C ATOM 33 CG2 ILE A 5 -1.008 24.558 -6.246 1.00 0.00 C ATOM 34 CD1 ILE A 5 -0.592 27.973 -8.034 1.00 0.00 C ATOM 0 H ILE A 5 -2.997 24.386 -8.726 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.582 25.912 -9.321 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.310 25.929 -7.208 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.586 27.239 -6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.664 26.556 -7.051 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.180 24.968 -5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.684 23.720 -6.415 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.023 24.213 -6.323 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.063 28.810 -7.791 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.361 27.610 -9.035 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.630 28.303 -7.999 1.00 0.00 H new ATOM 46 N ASP A 6 1.124 24.129 -8.187 1.00 0.00 N ATOM 47 CA ASP A 6 2.117 23.063 -8.122 1.00 0.00 C ATOM 48 C ASP A 6 1.917 22.209 -6.877 1.00 0.00 C ATOM 49 O ASP A 6 2.434 22.522 -5.804 1.00 0.00 O ATOM 50 CB ASP A 6 3.532 23.639 -8.136 1.00 0.00 C ATOM 51 CG ASP A 6 4.571 22.586 -8.471 1.00 0.00 C ATOM 52 OD1 ASP A 6 4.341 21.402 -8.145 1.00 0.00 O ATOM 53 OD2 ASP A 6 5.612 22.945 -9.060 1.00 0.00 O ATOM 0 H ASP A 6 1.429 25.019 -7.794 1.00 0.00 H new ATOM 0 HA ASP A 6 1.986 22.433 -9.002 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.587 24.447 -8.865 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.757 24.073 -7.162 1.00 0.00 H new ATOM 58 N GLU A 7 1.169 21.124 -7.031 1.00 0.00 N ATOM 59 CA GLU A 7 0.900 20.213 -5.928 1.00 0.00 C ATOM 60 C GLU A 7 2.119 19.343 -5.650 1.00 0.00 C ATOM 61 O GLU A 7 2.252 18.770 -4.568 1.00 0.00 O ATOM 62 CB GLU A 7 -0.305 19.332 -6.258 1.00 0.00 C ATOM 63 CG GLU A 7 -1.573 20.116 -6.573 1.00 0.00 C ATOM 64 CD GLU A 7 -1.544 20.741 -7.954 1.00 0.00 C ATOM 65 OE1 GLU A 7 -0.848 20.195 -8.837 1.00 0.00 O ATOM 66 OE2 GLU A 7 -2.217 21.774 -8.153 1.00 0.00 O ATOM 0 H GLU A 7 0.736 20.853 -7.914 1.00 0.00 H new ATOM 0 HA GLU A 7 0.678 20.800 -5.037 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.058 18.700 -7.111 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.499 18.668 -5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.434 19.453 -6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -1.707 20.899 -5.827 1.00 0.00 H new ATOM 73 N CYS A 8 3.010 19.254 -6.633 1.00 0.00 N ATOM 74 CA CYS A 8 4.223 18.460 -6.494 1.00 0.00 C ATOM 75 C CYS A 8 5.300 19.265 -5.779 1.00 0.00 C ATOM 76 O CYS A 8 6.184 18.704 -5.131 1.00 0.00 O ATOM 77 CB CYS A 8 4.725 18.008 -7.867 1.00 0.00 C ATOM 78 SG CYS A 8 6.264 17.032 -7.816 1.00 0.00 S ATOM 0 H CYS A 8 2.913 19.722 -7.534 1.00 0.00 H new ATOM 0 HA CYS A 8 3.993 17.576 -5.900 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.948 17.415 -8.348 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.886 18.888 -8.490 1.00 0.00 H new ATOM 83 N ARG A 9 5.210 20.586 -5.892 1.00 0.00 N ATOM 84 CA ARG A 9 6.167 21.475 -5.248 1.00 0.00 C ATOM 85 C ARG A 9 5.954 21.475 -3.740 1.00 0.00 C ATOM 86 O ARG A 9 6.879 21.735 -2.970 1.00 0.00 O ATOM 87 CB ARG A 9 6.029 22.896 -5.794 1.00 0.00 C ATOM 88 CG ARG A 9 7.053 23.239 -6.864 1.00 0.00 C ATOM 89 CD ARG A 9 8.327 23.804 -6.255 1.00 0.00 C ATOM 90 NE ARG A 9 8.818 24.965 -6.992 1.00 0.00 N ATOM 91 CZ ARG A 9 9.627 24.881 -8.043 1.00 0.00 C ATOM 92 NH1 ARG A 9 10.035 23.695 -8.475 1.00 0.00 N ATOM 93 NH2 ARG A 9 10.030 25.982 -8.661 1.00 0.00 N ATOM 0 H ARG A 9 4.483 21.064 -6.424 1.00 0.00 H new ATOM 0 HA ARG A 9 7.172 21.113 -5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.028 23.022 -6.207 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.125 23.604 -4.971 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.290 22.346 -7.442 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.627 23.964 -7.558 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.140 24.085 -5.219 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.096 23.032 -6.242 1.00 0.00 H new ATOM 0 HE ARG A 9 8.524 25.892 -6.683 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.728 22.846 -8.000 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.656 23.632 -9.282 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.719 26.895 -8.330 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.651 25.916 -9.468 1.00 0.00 H new ATOM 107 N ILE A 10 4.727 21.173 -3.323 1.00 0.00 N ATOM 108 CA ILE A 10 4.392 21.131 -1.908 1.00 0.00 C ATOM 109 C ILE A 10 5.461 20.382 -1.124 1.00 0.00 C ATOM 110 O ILE A 10 5.815 20.768 -0.010 1.00 0.00 O ATOM 111 CB ILE A 10 3.026 20.452 -1.678 1.00 0.00 C ATOM 112 CG1 ILE A 10 1.896 21.364 -2.156 1.00 0.00 C ATOM 113 CG2 ILE A 10 2.845 20.095 -0.209 1.00 0.00 C ATOM 114 CD1 ILE A 10 1.627 22.530 -1.231 1.00 0.00 C ATOM 0 H ILE A 10 3.950 20.954 -3.947 1.00 0.00 H new ATOM 0 HA ILE A 10 4.339 22.161 -1.556 1.00 0.00 H new ATOM 0 HB ILE A 10 2.994 19.529 -2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.143 21.746 -3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.984 20.775 -2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.876 19.617 -0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.635 19.411 0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.894 21.001 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.813 23.133 -1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.349 22.156 -0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.525 23.142 -1.146 1.00 0.00 H new ATOM 126 N SER A 11 5.965 19.307 -1.714 1.00 0.00 N ATOM 127 CA SER A 11 6.989 18.497 -1.071 1.00 0.00 C ATOM 128 C SER A 11 7.639 17.544 -2.071 1.00 0.00 C ATOM 129 O SER A 11 7.042 17.196 -3.089 1.00 0.00 O ATOM 130 CB SER A 11 6.377 17.704 0.081 1.00 0.00 C ATOM 131 OG SER A 11 7.233 16.652 0.490 1.00 0.00 O ATOM 0 H SER A 11 5.681 18.976 -2.636 1.00 0.00 H new ATOM 0 HA SER A 11 7.759 19.163 -0.683 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.186 18.369 0.923 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.415 17.295 -0.226 1.00 0.00 H new ATOM 0 HG SER A 11 7.037 16.413 1.420 1.00 0.00 H new ATOM 137 N PRO A 12 8.873 17.109 -1.784 1.00 0.00 N ATOM 138 CA PRO A 12 9.617 16.193 -2.636 1.00 0.00 C ATOM 139 C PRO A 12 9.288 14.741 -2.325 1.00 0.00 C ATOM 140 O PRO A 12 9.514 13.849 -3.143 1.00 0.00 O ATOM 141 CB PRO A 12 11.084 16.491 -2.290 1.00 0.00 C ATOM 142 CG PRO A 12 11.062 17.435 -1.121 1.00 0.00 C ATOM 143 CD PRO A 12 9.651 17.464 -0.602 1.00 0.00 C ATOM 0 HA PRO A 12 9.381 16.330 -3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.617 15.574 -2.039 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.600 16.937 -3.140 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.751 17.103 -0.345 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.381 18.432 -1.425 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.503 16.753 0.210 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.380 18.447 -0.218 1.00 0.00 H new ATOM 151 N ASP A 13 8.748 14.514 -1.132 1.00 0.00 N ATOM 152 CA ASP A 13 8.380 13.173 -0.700 1.00 0.00 C ATOM 153 C ASP A 13 6.866 13.024 -0.657 1.00 0.00 C ATOM 154 O ASP A 13 6.336 12.156 0.035 1.00 0.00 O ATOM 155 CB ASP A 13 8.975 12.874 0.676 1.00 0.00 C ATOM 156 CG ASP A 13 9.310 14.135 1.449 1.00 0.00 C ATOM 157 OD1 ASP A 13 8.414 14.663 2.141 1.00 0.00 O ATOM 158 OD2 ASP A 13 10.468 14.594 1.362 1.00 0.00 O ATOM 0 H ASP A 13 8.556 15.244 -0.446 1.00 0.00 H new ATOM 0 HA ASP A 13 8.782 12.459 -1.419 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.269 12.275 1.252 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.877 12.275 0.556 1.00 0.00 H new ATOM 163 N LEU A 14 6.175 13.878 -1.403 1.00 0.00 N ATOM 164 CA LEU A 14 4.717 13.843 -1.452 1.00 0.00 C ATOM 165 C LEU A 14 4.203 12.409 -1.547 1.00 0.00 C ATOM 166 O LEU A 14 3.278 12.021 -0.833 1.00 0.00 O ATOM 167 CB LEU A 14 4.207 14.657 -2.642 1.00 0.00 C ATOM 168 CG LEU A 14 3.128 15.689 -2.309 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.350 16.966 -3.103 1.00 0.00 C ATOM 170 CD2 LEU A 14 1.743 15.124 -2.588 1.00 0.00 C ATOM 0 H LEU A 14 6.600 14.603 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 14 4.340 14.282 -0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.052 15.172 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.812 13.969 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 14 3.196 15.926 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.573 17.689 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.326 17.383 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.310 16.743 -4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.989 15.873 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.664 14.858 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.583 14.236 -1.977 1.00 0.00 H new ATOM 182 N CYS A 15 4.805 11.629 -2.436 1.00 0.00 N ATOM 183 CA CYS A 15 4.410 10.238 -2.635 1.00 0.00 C ATOM 184 C CYS A 15 5.160 9.306 -1.687 1.00 0.00 C ATOM 185 O CYS A 15 5.012 8.086 -1.757 1.00 0.00 O ATOM 186 CB CYS A 15 4.668 9.825 -4.083 1.00 0.00 C ATOM 187 SG CYS A 15 4.691 11.217 -5.256 1.00 0.00 S ATOM 0 H CYS A 15 5.572 11.937 -3.034 1.00 0.00 H new ATOM 0 HA CYS A 15 3.345 10.156 -2.417 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.623 9.302 -4.136 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.899 9.116 -4.391 1.00 0.00 H new ATOM 192 N GLY A 16 5.966 9.886 -0.806 1.00 0.00 N ATOM 193 CA GLY A 16 6.729 9.096 0.142 1.00 0.00 C ATOM 194 C GLY A 16 7.642 8.088 -0.531 1.00 0.00 C ATOM 195 O GLY A 16 8.180 7.198 0.127 1.00 0.00 O ATOM 0 H GLY A 16 6.105 10.894 -0.731 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.327 9.762 0.764 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.042 8.571 0.806 1.00 0.00 H new ATOM 199 N ARG A 17 7.820 8.229 -1.841 1.00 0.00 N ATOM 200 CA ARG A 17 8.674 7.323 -2.601 1.00 0.00 C ATOM 201 C ARG A 17 8.572 7.603 -4.096 1.00 0.00 C ATOM 202 O ARG A 17 9.584 7.745 -4.783 1.00 0.00 O ATOM 203 CB ARG A 17 8.288 5.868 -2.323 1.00 0.00 C ATOM 204 CG ARG A 17 9.477 4.922 -2.277 1.00 0.00 C ATOM 205 CD ARG A 17 9.983 4.734 -0.855 1.00 0.00 C ATOM 206 NE ARG A 17 10.714 3.480 -0.696 1.00 0.00 N ATOM 207 CZ ARG A 17 11.373 3.147 0.408 1.00 0.00 C ATOM 208 NH1 ARG A 17 11.393 3.973 1.445 1.00 0.00 N ATOM 209 NH2 ARG A 17 12.014 1.989 0.477 1.00 0.00 N ATOM 0 H ARG A 17 7.384 8.963 -2.399 1.00 0.00 H new ATOM 0 HA ARG A 17 9.704 7.489 -2.284 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.757 5.817 -1.373 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.595 5.531 -3.094 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.192 3.956 -2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.280 5.314 -2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.632 5.568 -0.588 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.140 4.752 -0.165 1.00 0.00 H new ATOM 0 HE ARG A 17 10.719 2.823 -1.476 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.902 4.866 1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.900 3.716 2.292 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.002 1.351 -0.319 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.519 1.736 1.326 1.00 0.00 H new ATOM 223 N GLY A 18 7.343 7.670 -4.594 1.00 0.00 N ATOM 224 CA GLY A 18 7.124 7.923 -6.006 1.00 0.00 C ATOM 225 C GLY A 18 7.478 9.337 -6.418 1.00 0.00 C ATOM 226 O GLY A 18 8.438 9.919 -5.912 1.00 0.00 O ATOM 0 H GLY A 18 6.492 7.553 -4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.718 7.221 -6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.078 7.732 -6.245 1.00 0.00 H new ATOM 230 N GLN A 19 6.703 9.884 -7.348 1.00 0.00 N ATOM 231 CA GLN A 19 6.934 11.234 -7.845 1.00 0.00 C ATOM 232 C GLN A 19 5.620 11.999 -7.981 1.00 0.00 C ATOM 233 O GLN A 19 4.692 11.544 -8.650 1.00 0.00 O ATOM 234 CB GLN A 19 7.640 11.175 -9.199 1.00 0.00 C ATOM 235 CG GLN A 19 9.032 10.569 -9.130 1.00 0.00 C ATOM 236 CD GLN A 19 10.048 11.347 -9.943 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.924 12.013 -9.392 1.00 0.00 O ATOM 238 NE2 GLN A 19 9.933 11.267 -11.264 1.00 0.00 N ATOM 0 H GLN A 19 5.906 9.410 -7.774 1.00 0.00 H new ATOM 0 HA GLN A 19 7.565 11.759 -7.128 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.033 10.593 -9.892 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.711 12.183 -9.607 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.357 10.531 -8.090 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.995 9.541 -9.490 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.191 10.703 -11.678 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.587 11.770 -11.864 1.00 0.00 H new ATOM 247 N CYS A 20 5.546 13.162 -7.342 1.00 0.00 N ATOM 248 CA CYS A 20 4.341 13.985 -7.393 1.00 0.00 C ATOM 249 C CYS A 20 4.132 14.576 -8.784 1.00 0.00 C ATOM 250 O CYS A 20 5.054 15.136 -9.379 1.00 0.00 O ATOM 251 CB CYS A 20 4.409 15.110 -6.356 1.00 0.00 C ATOM 252 SG CYS A 20 6.057 15.867 -6.166 1.00 0.00 S ATOM 0 H CYS A 20 6.304 13.556 -6.784 1.00 0.00 H new ATOM 0 HA CYS A 20 3.494 13.339 -7.162 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.697 15.887 -6.634 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.091 14.716 -5.391 1.00 0.00 H new ATOM 257 N VAL A 21 2.910 14.454 -9.290 1.00 0.00 N ATOM 258 CA VAL A 21 2.564 14.984 -10.604 1.00 0.00 C ATOM 259 C VAL A 21 1.647 16.193 -10.465 1.00 0.00 C ATOM 260 O VAL A 21 1.067 16.417 -9.407 1.00 0.00 O ATOM 261 CB VAL A 21 1.873 13.920 -11.481 1.00 0.00 C ATOM 262 CG1 VAL A 21 1.172 14.567 -12.668 1.00 0.00 C ATOM 263 CG2 VAL A 21 2.881 12.882 -11.950 1.00 0.00 C ATOM 0 H VAL A 21 2.140 13.991 -8.808 1.00 0.00 H new ATOM 0 HA VAL A 21 3.494 15.281 -11.089 1.00 0.00 H new ATOM 0 HB VAL A 21 1.117 13.418 -10.878 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.692 13.796 -13.271 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.418 15.267 -12.308 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.903 15.101 -13.275 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.377 12.139 -12.568 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.661 13.370 -12.534 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.328 12.392 -11.085 1.00 0.00 H new ATOM 273 N ASN A 22 1.522 16.968 -11.536 1.00 0.00 N ATOM 274 CA ASN A 22 0.676 18.155 -11.524 1.00 0.00 C ATOM 275 C ASN A 22 -0.547 17.973 -12.418 1.00 0.00 C ATOM 276 O ASN A 22 -0.465 17.361 -13.482 1.00 0.00 O ATOM 277 CB ASN A 22 1.473 19.375 -11.984 1.00 0.00 C ATOM 278 CG ASN A 22 0.824 20.674 -11.557 1.00 0.00 C ATOM 279 OD1 ASN A 22 0.227 21.380 -12.369 1.00 0.00 O ATOM 280 ND2 ASN A 22 0.936 20.995 -10.276 1.00 0.00 N ATOM 0 H ASN A 22 1.995 16.796 -12.423 1.00 0.00 H new ATOM 0 HA ASN A 22 0.333 18.310 -10.501 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.482 19.323 -11.575 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.567 19.357 -13.070 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.518 21.858 -9.928 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.440 20.379 -9.638 1.00 0.00 H new ATOM 287 N THR A 23 -1.682 18.515 -11.980 1.00 0.00 N ATOM 288 CA THR A 23 -2.920 18.418 -12.744 1.00 0.00 C ATOM 289 C THR A 23 -3.834 19.603 -12.456 1.00 0.00 C ATOM 290 O THR A 23 -3.756 20.218 -11.393 1.00 0.00 O ATOM 291 CB THR A 23 -3.676 17.113 -12.430 1.00 0.00 C ATOM 292 OG1 THR A 23 -4.515 17.296 -11.284 1.00 0.00 O ATOM 293 CG2 THR A 23 -2.704 15.971 -12.177 1.00 0.00 C ATOM 0 H THR A 23 -1.768 19.025 -11.101 1.00 0.00 H new ATOM 0 HA THR A 23 -2.642 18.421 -13.798 1.00 0.00 H new ATOM 0 HB THR A 23 -4.292 16.860 -13.293 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.371 16.840 -11.429 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.262 15.061 -11.957 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.088 15.815 -13.062 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.065 16.218 -11.329 1.00 0.00 H new ATOM 301 N PRO A 24 -4.720 19.936 -13.406 1.00 0.00 N ATOM 302 CA PRO A 24 -5.660 21.052 -13.258 1.00 0.00 C ATOM 303 C PRO A 24 -6.534 20.897 -12.020 1.00 0.00 C ATOM 304 O PRO A 24 -7.313 19.950 -11.914 1.00 0.00 O ATOM 305 CB PRO A 24 -6.513 20.986 -14.532 1.00 0.00 C ATOM 306 CG PRO A 24 -6.273 19.628 -15.101 1.00 0.00 C ATOM 307 CD PRO A 24 -4.878 19.251 -14.694 1.00 0.00 C ATOM 0 HA PRO A 24 -5.146 22.005 -13.133 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.569 21.136 -14.306 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.225 21.764 -15.238 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.999 18.910 -14.718 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.374 19.636 -16.186 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.763 18.172 -14.595 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.140 19.585 -15.423 1.00 0.00 H new ATOM 315 N GLY A 25 -6.397 21.827 -11.081 1.00 0.00 N ATOM 316 CA GLY A 25 -7.178 21.763 -9.861 1.00 0.00 C ATOM 317 C GLY A 25 -7.055 20.415 -9.181 1.00 0.00 C ATOM 318 O GLY A 25 -8.045 19.852 -8.714 1.00 0.00 O ATOM 0 H GLY A 25 -5.761 22.622 -11.143 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.848 22.546 -9.178 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.225 21.960 -10.090 1.00 0.00 H new ATOM 322 N ASP A 26 -5.833 19.898 -9.133 1.00 0.00 N ATOM 323 CA ASP A 26 -5.570 18.606 -8.516 1.00 0.00 C ATOM 324 C ASP A 26 -4.170 18.118 -8.872 1.00 0.00 C ATOM 325 O ASP A 26 -3.417 18.810 -9.562 1.00 0.00 O ATOM 326 CB ASP A 26 -6.610 17.580 -8.965 1.00 0.00 C ATOM 327 CG ASP A 26 -7.509 17.132 -7.829 1.00 0.00 C ATOM 328 OD1 ASP A 26 -7.258 17.543 -6.677 1.00 0.00 O ATOM 329 OD2 ASP A 26 -8.462 16.369 -8.092 1.00 0.00 O ATOM 0 H ASP A 26 -5.006 20.357 -9.516 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.635 18.724 -7.434 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.220 18.009 -9.760 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.102 16.712 -9.386 1.00 0.00 H new ATOM 334 N PHE A 27 -3.819 16.929 -8.395 1.00 0.00 N ATOM 335 CA PHE A 27 -2.503 16.370 -8.665 1.00 0.00 C ATOM 336 C PHE A 27 -2.487 14.858 -8.473 1.00 0.00 C ATOM 337 O PHE A 27 -3.480 14.260 -8.058 1.00 0.00 O ATOM 338 CB PHE A 27 -1.472 17.021 -7.753 1.00 0.00 C ATOM 339 CG PHE A 27 -1.415 16.426 -6.376 1.00 0.00 C ATOM 340 CD1 PHE A 27 -2.321 16.813 -5.401 1.00 0.00 C ATOM 341 CD2 PHE A 27 -0.453 15.481 -6.054 1.00 0.00 C ATOM 342 CE1 PHE A 27 -2.269 16.269 -4.133 1.00 0.00 C ATOM 343 CE2 PHE A 27 -0.396 14.934 -4.786 1.00 0.00 C ATOM 344 CZ PHE A 27 -1.305 15.329 -3.824 1.00 0.00 C ATOM 0 H PHE A 27 -4.423 16.339 -7.824 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.255 16.576 -9.706 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.488 16.937 -8.215 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.695 18.085 -7.669 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.076 17.548 -5.636 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.260 15.169 -6.803 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.982 16.578 -3.383 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.358 14.199 -4.548 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.262 14.904 -2.832 1.00 0.00 H new ATOM 354 N GLU A 28 -1.345 14.250 -8.775 1.00 0.00 N ATOM 355 CA GLU A 28 -1.184 12.808 -8.636 1.00 0.00 C ATOM 356 C GLU A 28 0.238 12.468 -8.209 1.00 0.00 C ATOM 357 O GLU A 28 1.029 13.358 -7.893 1.00 0.00 O ATOM 358 CB GLU A 28 -1.519 12.102 -9.952 1.00 0.00 C ATOM 359 CG GLU A 28 -1.135 12.900 -11.187 1.00 0.00 C ATOM 360 CD GLU A 28 -2.283 13.048 -12.166 1.00 0.00 C ATOM 361 OE1 GLU A 28 -3.450 12.995 -11.725 1.00 0.00 O ATOM 362 OE2 GLU A 28 -2.015 13.218 -13.374 1.00 0.00 O ATOM 0 H GLU A 28 -0.516 14.735 -9.118 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.873 12.460 -7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.008 11.140 -9.978 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.589 11.896 -9.982 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.791 13.889 -10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.298 12.411 -11.685 1.00 0.00 H new ATOM 369 N CYS A 29 0.563 11.179 -8.198 1.00 0.00 N ATOM 370 CA CYS A 29 1.895 10.739 -7.803 1.00 0.00 C ATOM 371 C CYS A 29 2.310 9.479 -8.555 1.00 0.00 C ATOM 372 O CYS A 29 1.470 8.734 -9.060 1.00 0.00 O ATOM 373 CB CYS A 29 1.943 10.479 -6.297 1.00 0.00 C ATOM 374 SG CYS A 29 2.749 11.802 -5.340 1.00 0.00 S ATOM 0 H CYS A 29 -0.074 10.425 -8.457 1.00 0.00 H new ATOM 0 HA CYS A 29 2.595 11.535 -8.056 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.925 10.347 -5.929 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.471 9.542 -6.117 1.00 0.00 H new ATOM 379 N LYS A 30 3.617 9.248 -8.612 1.00 0.00 N ATOM 380 CA LYS A 30 4.167 8.078 -9.286 1.00 0.00 C ATOM 381 C LYS A 30 4.915 7.201 -8.289 1.00 0.00 C ATOM 382 O LYS A 30 6.146 7.179 -8.265 1.00 0.00 O ATOM 383 CB LYS A 30 5.105 8.508 -10.414 1.00 0.00 C ATOM 384 CG LYS A 30 5.427 7.395 -11.398 1.00 0.00 C ATOM 385 CD LYS A 30 6.088 6.213 -10.707 1.00 0.00 C ATOM 386 CE LYS A 30 6.596 5.193 -11.714 1.00 0.00 C ATOM 387 NZ LYS A 30 8.068 4.996 -11.608 1.00 0.00 N ATOM 0 H LYS A 30 4.319 9.860 -8.197 1.00 0.00 H new ATOM 0 HA LYS A 30 3.345 7.504 -9.714 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.652 9.339 -10.955 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.034 8.878 -9.981 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.511 7.065 -11.888 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.086 7.777 -12.178 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.918 6.566 -10.094 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.374 5.738 -10.034 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.090 4.241 -11.554 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.345 5.522 -12.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.376 4.294 -12.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.553 5.899 -11.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.305 4.658 -10.654 1.00 0.00 H new ATOM 401 N CYS A 31 4.160 6.494 -7.456 1.00 0.00 N ATOM 402 CA CYS A 31 4.740 5.626 -6.437 1.00 0.00 C ATOM 403 C CYS A 31 5.865 4.765 -7.002 1.00 0.00 C ATOM 404 O CYS A 31 6.201 4.854 -8.183 1.00 0.00 O ATOM 405 CB CYS A 31 3.662 4.736 -5.816 1.00 0.00 C ATOM 406 SG CYS A 31 3.270 5.129 -4.079 1.00 0.00 S ATOM 0 H CYS A 31 3.140 6.505 -7.466 1.00 0.00 H new ATOM 0 HA CYS A 31 5.165 6.268 -5.665 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.752 4.821 -6.409 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.986 3.697 -5.877 1.00 0.00 H new ATOM 411 N ASP A 32 6.448 3.937 -6.141 1.00 0.00 N ATOM 412 CA ASP A 32 7.546 3.062 -6.534 1.00 0.00 C ATOM 413 C ASP A 32 7.085 1.605 -6.635 1.00 0.00 C ATOM 414 O ASP A 32 5.979 1.334 -7.104 1.00 0.00 O ATOM 415 CB ASP A 32 8.692 3.197 -5.530 1.00 0.00 C ATOM 416 CG ASP A 32 10.051 3.006 -6.175 1.00 0.00 C ATOM 417 OD1 ASP A 32 10.109 2.897 -7.418 1.00 0.00 O ATOM 418 OD2 ASP A 32 11.058 2.965 -5.437 1.00 0.00 O ATOM 0 H ASP A 32 6.176 3.854 -5.161 1.00 0.00 H new ATOM 0 HA ASP A 32 7.896 3.364 -7.521 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.649 4.181 -5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.564 2.462 -4.735 1.00 0.00 H new ATOM 423 N GLU A 33 7.947 0.675 -6.204 1.00 0.00 N ATOM 424 CA GLU A 33 7.651 -0.759 -6.246 1.00 0.00 C ATOM 425 C GLU A 33 6.151 -1.038 -6.276 1.00 0.00 C ATOM 426 O GLU A 33 5.544 -1.091 -7.346 1.00 0.00 O ATOM 427 CB GLU A 33 8.282 -1.460 -5.042 1.00 0.00 C ATOM 428 CG GLU A 33 7.748 -2.864 -4.807 1.00 0.00 C ATOM 429 CD GLU A 33 8.855 -3.880 -4.597 1.00 0.00 C ATOM 430 OE1 GLU A 33 9.831 -3.556 -3.888 1.00 0.00 O ATOM 431 OE2 GLU A 33 8.744 -4.999 -5.141 1.00 0.00 O ATOM 0 H GLU A 33 8.865 0.896 -5.818 1.00 0.00 H new ATOM 0 HA GLU A 33 8.078 -1.151 -7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.361 -1.510 -5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.107 -0.859 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.094 -2.859 -3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.140 -3.165 -5.660 1.00 0.00 H new ATOM 438 N GLY A 34 5.558 -1.225 -5.101 1.00 0.00 N ATOM 439 CA GLY A 34 4.136 -1.505 -5.031 1.00 0.00 C ATOM 440 C GLY A 34 3.395 -0.534 -4.138 1.00 0.00 C ATOM 441 O GLY A 34 2.323 -0.849 -3.626 1.00 0.00 O ATOM 0 H GLY A 34 6.035 -1.188 -4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.712 -1.466 -6.034 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.987 -2.519 -4.661 1.00 0.00 H new ATOM 445 N TYR A 35 3.964 0.649 -3.948 1.00 0.00 N ATOM 446 CA TYR A 35 3.343 1.660 -3.107 1.00 0.00 C ATOM 447 C TYR A 35 2.165 2.317 -3.819 1.00 0.00 C ATOM 448 O TYR A 35 2.277 2.741 -4.969 1.00 0.00 O ATOM 449 CB TYR A 35 4.368 2.720 -2.707 1.00 0.00 C ATOM 450 CG TYR A 35 5.524 2.172 -1.902 1.00 0.00 C ATOM 451 CD1 TYR A 35 5.319 1.192 -0.939 1.00 0.00 C ATOM 452 CD2 TYR A 35 6.820 2.629 -2.106 1.00 0.00 C ATOM 453 CE1 TYR A 35 6.370 0.685 -0.201 1.00 0.00 C ATOM 454 CE2 TYR A 35 7.877 2.127 -1.373 1.00 0.00 C ATOM 455 CZ TYR A 35 7.648 1.155 -0.422 1.00 0.00 C ATOM 456 OH TYR A 35 8.698 0.652 0.311 1.00 0.00 O ATOM 0 H TYR A 35 4.852 0.930 -4.364 1.00 0.00 H new ATOM 0 HA TYR A 35 2.970 1.168 -2.209 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.757 3.195 -3.608 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.868 3.496 -2.127 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.320 0.820 -0.765 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.004 3.390 -2.850 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.193 -0.075 0.545 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.878 2.494 -1.544 1.00 0.00 H new ATOM 0 HH TYR A 35 9.530 1.088 0.032 1.00 0.00 H new ATOM 466 N GLU A 36 1.039 2.397 -3.122 1.00 0.00 N ATOM 467 CA GLU A 36 -0.166 3.004 -3.673 1.00 0.00 C ATOM 468 C GLU A 36 -0.460 4.331 -2.979 1.00 0.00 C ATOM 469 O GLU A 36 -0.472 4.409 -1.751 1.00 0.00 O ATOM 470 CB GLU A 36 -1.356 2.044 -3.524 1.00 0.00 C ATOM 471 CG GLU A 36 -2.256 2.339 -2.331 1.00 0.00 C ATOM 472 CD GLU A 36 -3.377 1.329 -2.183 1.00 0.00 C ATOM 473 OE1 GLU A 36 -3.535 0.481 -3.087 1.00 0.00 O ATOM 474 OE2 GLU A 36 -4.098 1.388 -1.166 1.00 0.00 O ATOM 0 H GLU A 36 0.935 2.047 -2.169 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.006 3.200 -4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.955 2.083 -4.434 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.977 1.026 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.656 2.346 -1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.682 3.336 -2.440 1.00 0.00 H new ATOM 481 N SER A 37 -0.693 5.372 -3.775 1.00 0.00 N ATOM 482 CA SER A 37 -0.986 6.696 -3.236 1.00 0.00 C ATOM 483 C SER A 37 -1.776 6.595 -1.934 1.00 0.00 C ATOM 484 O SER A 37 -2.917 6.132 -1.922 1.00 0.00 O ATOM 485 CB SER A 37 -1.770 7.521 -4.258 1.00 0.00 C ATOM 486 OG SER A 37 -2.550 6.688 -5.096 1.00 0.00 O ATOM 0 H SER A 37 -0.684 5.324 -4.794 1.00 0.00 H new ATOM 0 HA SER A 37 -0.039 7.192 -3.025 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.417 8.228 -3.739 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.079 8.107 -4.864 1.00 0.00 H new ATOM 0 HG SER A 37 -3.042 7.240 -5.739 1.00 0.00 H new ATOM 492 N GLY A 38 -1.160 7.032 -0.839 1.00 0.00 N ATOM 493 CA GLY A 38 -1.815 6.986 0.453 1.00 0.00 C ATOM 494 C GLY A 38 -2.860 8.069 0.602 1.00 0.00 C ATOM 495 O GLY A 38 -2.817 8.864 1.538 1.00 0.00 O ATOM 0 H GLY A 38 -0.216 7.418 -0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.283 6.011 0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.069 7.092 1.241 1.00 0.00 H new ATOM 499 N PHE A 39 -3.795 8.097 -0.334 1.00 0.00 N ATOM 500 CA PHE A 39 -4.864 9.087 -0.329 1.00 0.00 C ATOM 501 C PHE A 39 -5.653 9.037 0.975 1.00 0.00 C ATOM 502 O PHE A 39 -6.244 10.032 1.394 1.00 0.00 O ATOM 503 CB PHE A 39 -5.791 8.858 -1.523 1.00 0.00 C ATOM 504 CG PHE A 39 -6.898 7.878 -1.250 1.00 0.00 C ATOM 505 CD1 PHE A 39 -6.642 6.516 -1.216 1.00 0.00 C ATOM 506 CD2 PHE A 39 -8.194 8.318 -1.029 1.00 0.00 C ATOM 507 CE1 PHE A 39 -7.658 5.612 -0.965 1.00 0.00 C ATOM 508 CE2 PHE A 39 -9.212 7.419 -0.778 1.00 0.00 C ATOM 509 CZ PHE A 39 -8.943 6.064 -0.746 1.00 0.00 C ATOM 0 H PHE A 39 -3.836 7.440 -1.114 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.416 10.077 -0.410 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.227 9.811 -1.821 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.201 8.500 -2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.638 6.157 -1.387 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.410 9.376 -1.053 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.446 4.553 -0.940 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -10.217 7.775 -0.607 1.00 0.00 H new ATOM 0 HZ PHE A 39 -9.738 5.360 -0.550 1.00 0.00 H new ATOM 519 N MET A 40 -5.653 7.873 1.617 1.00 0.00 N ATOM 520 CA MET A 40 -6.365 7.700 2.877 1.00 0.00 C ATOM 521 C MET A 40 -5.717 8.541 3.968 1.00 0.00 C ATOM 522 O MET A 40 -6.328 8.827 4.998 1.00 0.00 O ATOM 523 CB MET A 40 -6.374 6.228 3.288 1.00 0.00 C ATOM 524 CG MET A 40 -6.321 5.270 2.111 1.00 0.00 C ATOM 525 SD MET A 40 -6.629 3.560 2.592 1.00 0.00 S ATOM 526 CE MET A 40 -5.961 2.685 1.178 1.00 0.00 C ATOM 0 H MET A 40 -5.169 7.038 1.286 1.00 0.00 H new ATOM 0 HA MET A 40 -7.394 8.031 2.740 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.523 6.036 3.941 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.274 6.027 3.870 1.00 0.00 H new ATOM 0 HG2 MET A 40 -7.059 5.573 1.368 1.00 0.00 H new ATOM 0 HG3 MET A 40 -5.343 5.339 1.635 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.078 1.611 1.326 1.00 0.00 H new ATOM 0 HE2 MET A 40 -6.495 2.987 0.277 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.903 2.923 1.069 1.00 0.00 H new ATOM 536 N MET A 41 -4.471 8.933 3.727 1.00 0.00 N ATOM 537 CA MET A 41 -3.720 9.743 4.674 1.00 0.00 C ATOM 538 C MET A 41 -3.325 11.075 4.045 1.00 0.00 C ATOM 539 O MET A 41 -3.234 12.096 4.726 1.00 0.00 O ATOM 540 CB MET A 41 -2.469 8.989 5.126 1.00 0.00 C ATOM 541 CG MET A 41 -2.553 7.487 4.905 1.00 0.00 C ATOM 542 SD MET A 41 -3.797 6.701 5.947 1.00 0.00 S ATOM 543 CE MET A 41 -2.765 5.974 7.217 1.00 0.00 C ATOM 0 H MET A 41 -3.958 8.700 2.877 1.00 0.00 H new ATOM 0 HA MET A 41 -4.352 9.942 5.539 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.605 9.380 4.588 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.300 9.184 6.185 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.784 7.290 3.858 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.580 7.039 5.106 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.391 5.451 7.939 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.070 5.269 6.761 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.205 6.759 7.724 1.00 0.00 H new ATOM 553 N MET A 42 -3.092 11.050 2.737 1.00 0.00 N ATOM 554 CA MET A 42 -2.705 12.248 2.001 1.00 0.00 C ATOM 555 C MET A 42 -2.474 11.918 0.531 1.00 0.00 C ATOM 556 O MET A 42 -3.348 12.129 -0.311 1.00 0.00 O ATOM 557 CB MET A 42 -1.440 12.860 2.602 1.00 0.00 C ATOM 558 CG MET A 42 -0.671 11.906 3.501 1.00 0.00 C ATOM 559 SD MET A 42 1.041 12.416 3.750 1.00 0.00 S ATOM 560 CE MET A 42 1.060 12.689 5.520 1.00 0.00 C ATOM 0 H MET A 42 -3.165 10.210 2.163 1.00 0.00 H new ATOM 0 HA MET A 42 -3.516 12.972 2.077 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.787 13.191 1.794 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.712 13.746 3.175 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.171 11.841 4.467 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.689 10.907 3.065 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.055 13.010 5.828 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.334 13.460 5.777 1.00 0.00 H new ATOM 0 HE3 MET A 42 0.802 11.763 6.034 1.00 0.00 H new ATOM 570 N LYS A 43 -1.292 11.392 0.232 1.00 0.00 N ATOM 571 CA LYS A 43 -0.941 11.022 -1.134 1.00 0.00 C ATOM 572 C LYS A 43 0.485 10.489 -1.210 1.00 0.00 C ATOM 573 O LYS A 43 1.180 10.686 -2.207 1.00 0.00 O ATOM 574 CB LYS A 43 -1.103 12.218 -2.071 1.00 0.00 C ATOM 575 CG LYS A 43 -1.801 11.870 -3.373 1.00 0.00 C ATOM 576 CD LYS A 43 -0.977 10.897 -4.200 1.00 0.00 C ATOM 577 CE LYS A 43 -1.636 10.606 -5.539 1.00 0.00 C ATOM 578 NZ LYS A 43 -2.685 11.608 -5.875 1.00 0.00 N ATOM 0 H LYS A 43 -0.559 11.212 0.918 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.620 10.230 -1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.669 12.997 -1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.120 12.632 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.777 11.433 -3.159 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.978 12.779 -3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.018 11.310 -4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.848 9.967 -3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.878 10.599 -6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.080 9.611 -5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.108 11.372 -6.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.422 11.598 -5.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.258 12.555 -5.923 1.00 0.00 H new ATOM 592 N ASN A 44 0.913 9.811 -0.152 1.00 0.00 N ATOM 593 CA ASN A 44 2.252 9.246 -0.097 1.00 0.00 C ATOM 594 C ASN A 44 2.285 7.876 -0.761 1.00 0.00 C ATOM 595 O ASN A 44 1.421 7.549 -1.576 1.00 0.00 O ATOM 596 CB ASN A 44 2.719 9.137 1.358 1.00 0.00 C ATOM 597 CG ASN A 44 2.256 7.857 2.033 1.00 0.00 C ATOM 598 OD1 ASN A 44 2.919 7.345 2.934 1.00 0.00 O ATOM 599 ND2 ASN A 44 1.112 7.330 1.600 1.00 0.00 N ATOM 0 H ASN A 44 0.349 9.640 0.681 1.00 0.00 H new ATOM 0 HA ASN A 44 2.928 9.908 -0.638 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.807 9.185 1.390 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.346 9.993 1.919 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.756 6.471 2.018 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.592 7.786 0.850 1.00 0.00 H new ATOM 606 N CYS A 45 3.277 7.072 -0.400 1.00 0.00 N ATOM 607 CA CYS A 45 3.407 5.732 -0.954 1.00 0.00 C ATOM 608 C CYS A 45 3.037 4.695 0.096 1.00 0.00 C ATOM 609 O CYS A 45 3.685 4.591 1.136 1.00 0.00 O ATOM 610 CB CYS A 45 4.832 5.492 -1.461 1.00 0.00 C ATOM 611 SG CYS A 45 5.050 5.686 -3.265 1.00 0.00 S ATOM 0 H CYS A 45 4.001 7.324 0.272 1.00 0.00 H new ATOM 0 HA CYS A 45 2.724 5.638 -1.798 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.504 6.183 -0.952 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.137 4.484 -1.179 1.00 0.00 H new ATOM 616 N MET A 46 1.976 3.942 -0.173 1.00 0.00 N ATOM 617 CA MET A 46 1.509 2.931 0.763 1.00 0.00 C ATOM 618 C MET A 46 1.153 1.627 0.052 1.00 0.00 C ATOM 619 O MET A 46 0.048 1.479 -0.467 1.00 0.00 O ATOM 620 CB MET A 46 0.301 3.468 1.531 1.00 0.00 C ATOM 621 CG MET A 46 0.468 3.427 3.039 1.00 0.00 C ATOM 622 SD MET A 46 0.771 1.762 3.661 1.00 0.00 S ATOM 623 CE MET A 46 -0.839 1.013 3.418 1.00 0.00 C ATOM 0 H MET A 46 1.426 4.014 -1.029 1.00 0.00 H new ATOM 0 HA MET A 46 2.317 2.710 1.461 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.114 4.497 1.223 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.580 2.888 1.256 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.297 4.074 3.326 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.429 3.829 3.511 1.00 0.00 H new ATOM 0 HE1 MET A 46 -0.868 0.043 3.914 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.608 1.659 3.840 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.022 0.881 2.352 1.00 0.00 H new ATOM 633 N ASP A 47 2.115 0.698 0.039 1.00 0.00 N ATOM 634 CA ASP A 47 1.968 -0.615 -0.592 1.00 0.00 C ATOM 635 C ASP A 47 0.531 -0.923 -1.001 1.00 0.00 C ATOM 636 O ASP A 47 -0.405 -0.775 -0.215 1.00 0.00 O ATOM 637 CB ASP A 47 2.481 -1.702 0.353 1.00 0.00 C ATOM 638 CG ASP A 47 1.480 -2.043 1.439 1.00 0.00 C ATOM 639 OD1 ASP A 47 0.683 -1.156 1.812 1.00 0.00 O ATOM 640 OD2 ASP A 47 1.493 -3.195 1.921 1.00 0.00 O ATOM 0 H ASP A 47 3.028 0.840 0.472 1.00 0.00 H new ATOM 0 HA ASP A 47 2.561 -0.596 -1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.710 -2.600 -0.221 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.412 -1.371 0.812 1.00 0.00 H new ATOM 645 N ILE A 48 0.379 -1.364 -2.243 1.00 0.00 N ATOM 646 CA ILE A 48 -0.922 -1.712 -2.796 1.00 0.00 C ATOM 647 C ILE A 48 -1.469 -2.986 -2.165 1.00 0.00 C ATOM 648 O ILE A 48 -0.885 -3.531 -1.230 1.00 0.00 O ATOM 649 CB ILE A 48 -0.817 -1.929 -4.314 1.00 0.00 C ATOM 650 CG1 ILE A 48 0.441 -2.735 -4.631 1.00 0.00 C ATOM 651 CG2 ILE A 48 -0.804 -0.598 -5.049 1.00 0.00 C ATOM 652 CD1 ILE A 48 0.243 -3.759 -5.726 1.00 0.00 C ATOM 0 H ILE A 48 1.154 -1.490 -2.894 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.598 -0.885 -2.579 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.690 -2.487 -4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.237 -2.050 -4.925 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.775 -3.243 -3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.729 -0.776 -6.122 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.724 -0.055 -4.834 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.051 -0.008 -4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.177 -4.293 -5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.530 -4.467 -5.427 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.061 -3.256 -6.644 1.00 0.00 H new ATOM 664 N ASP A 49 -2.590 -3.462 -2.695 1.00 0.00 N ATOM 665 CA ASP A 49 -3.212 -4.680 -2.201 1.00 0.00 C ATOM 666 C ASP A 49 -2.849 -5.861 -3.094 1.00 0.00 C ATOM 667 O ASP A 49 -3.673 -6.335 -3.873 1.00 0.00 O ATOM 668 CB ASP A 49 -4.732 -4.523 -2.146 1.00 0.00 C ATOM 669 CG ASP A 49 -5.405 -5.686 -1.444 1.00 0.00 C ATOM 670 OD1 ASP A 49 -4.814 -6.786 -1.418 1.00 0.00 O ATOM 671 OD2 ASP A 49 -6.524 -5.497 -0.921 1.00 0.00 O ATOM 0 H ASP A 49 -3.086 -3.020 -3.469 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.840 -4.868 -1.194 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.981 -3.596 -1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.123 -4.438 -3.160 1.00 0.00 H new ATOM 676 N GLU A 50 -1.610 -6.326 -2.981 1.00 0.00 N ATOM 677 CA GLU A 50 -1.140 -7.446 -3.781 1.00 0.00 C ATOM 678 C GLU A 50 -2.132 -8.604 -3.745 1.00 0.00 C ATOM 679 O GLU A 50 -2.149 -9.448 -4.641 1.00 0.00 O ATOM 680 CB GLU A 50 0.221 -7.915 -3.273 1.00 0.00 C ATOM 681 CG GLU A 50 1.356 -6.955 -3.590 1.00 0.00 C ATOM 682 CD GLU A 50 1.652 -6.009 -2.445 1.00 0.00 C ATOM 683 OE1 GLU A 50 1.579 -6.449 -1.277 1.00 0.00 O ATOM 684 OE2 GLU A 50 1.955 -4.827 -2.712 1.00 0.00 O ATOM 0 H GLU A 50 -0.914 -5.943 -2.342 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.047 -7.108 -4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.167 -8.056 -2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.447 -8.888 -3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.254 -7.525 -3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.101 -6.377 -4.478 1.00 0.00 H new ATOM 691 N CYS A 51 -2.959 -8.637 -2.705 1.00 0.00 N ATOM 692 CA CYS A 51 -3.957 -9.692 -2.555 1.00 0.00 C ATOM 693 C CYS A 51 -5.141 -9.450 -3.485 1.00 0.00 C ATOM 694 O CYS A 51 -6.021 -10.300 -3.623 1.00 0.00 O ATOM 695 CB CYS A 51 -4.445 -9.762 -1.107 1.00 0.00 C ATOM 696 SG CYS A 51 -3.110 -9.853 0.127 1.00 0.00 S ATOM 0 H CYS A 51 -2.959 -7.947 -1.954 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.490 -10.640 -2.821 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.057 -8.885 -0.899 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.089 -10.634 -0.994 1.00 0.00 H new ATOM 701 N GLN A 52 -5.156 -8.281 -4.113 1.00 0.00 N ATOM 702 CA GLN A 52 -6.229 -7.910 -5.025 1.00 0.00 C ATOM 703 C GLN A 52 -5.692 -7.699 -6.435 1.00 0.00 C ATOM 704 O GLN A 52 -6.427 -7.811 -7.416 1.00 0.00 O ATOM 705 CB GLN A 52 -6.910 -6.635 -4.528 1.00 0.00 C ATOM 706 CG GLN A 52 -8.107 -6.896 -3.634 1.00 0.00 C ATOM 707 CD GLN A 52 -9.188 -5.844 -3.783 1.00 0.00 C ATOM 708 OE1 GLN A 52 -10.292 -6.132 -4.248 1.00 0.00 O ATOM 709 NE2 GLN A 52 -8.876 -4.615 -3.389 1.00 0.00 N ATOM 0 H GLN A 52 -4.432 -7.570 -4.006 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.956 -8.721 -5.054 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.183 -6.034 -3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.230 -6.045 -5.387 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.524 -7.875 -3.869 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.779 -6.930 -2.595 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.949 -4.421 -3.010 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.563 -3.865 -3.466 1.00 0.00 H new ATOM 718 N ARG A 53 -4.403 -7.392 -6.525 1.00 0.00 N ATOM 719 CA ARG A 53 -3.756 -7.160 -7.810 1.00 0.00 C ATOM 720 C ARG A 53 -3.859 -8.390 -8.708 1.00 0.00 C ATOM 721 O ARG A 53 -3.867 -8.276 -9.933 1.00 0.00 O ATOM 722 CB ARG A 53 -2.287 -6.789 -7.599 1.00 0.00 C ATOM 723 CG ARG A 53 -1.504 -6.643 -8.894 1.00 0.00 C ATOM 724 CD ARG A 53 -0.426 -7.708 -9.010 1.00 0.00 C ATOM 725 NE ARG A 53 0.038 -7.870 -10.384 1.00 0.00 N ATOM 726 CZ ARG A 53 -0.595 -8.604 -11.294 1.00 0.00 C ATOM 727 NH1 ARG A 53 -1.716 -9.236 -10.974 1.00 0.00 N ATOM 728 NH2 ARG A 53 -0.109 -8.705 -12.523 1.00 0.00 N ATOM 0 H ARG A 53 -3.784 -7.298 -5.720 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.269 -6.334 -8.303 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.234 -5.852 -7.044 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.813 -7.552 -6.982 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.184 -6.717 -9.743 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.047 -5.654 -8.936 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.417 -7.442 -8.372 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.815 -8.658 -8.644 1.00 0.00 H new ATOM 0 HE ARG A 53 0.896 -7.393 -10.662 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.093 -9.159 -10.029 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.201 -9.799 -11.673 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.752 -8.219 -12.772 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.596 -9.269 -13.219 1.00 0.00 H new ATOM 742 N ASP A 54 -3.935 -9.564 -8.091 1.00 0.00 N ATOM 743 CA ASP A 54 -4.033 -10.814 -8.838 1.00 0.00 C ATOM 744 C ASP A 54 -5.205 -11.657 -8.347 1.00 0.00 C ATOM 745 O ASP A 54 -5.442 -11.774 -7.144 1.00 0.00 O ATOM 746 CB ASP A 54 -2.733 -11.609 -8.716 1.00 0.00 C ATOM 747 CG ASP A 54 -1.994 -11.718 -10.035 1.00 0.00 C ATOM 748 OD1 ASP A 54 -2.627 -11.497 -11.089 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.783 -12.023 -10.015 1.00 0.00 O ATOM 0 H ASP A 54 -3.931 -9.677 -7.077 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.204 -10.566 -9.886 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.087 -11.132 -7.979 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.956 -12.609 -8.344 1.00 0.00 H new ATOM 754 N PRO A 55 -5.951 -12.262 -9.283 1.00 0.00 N ATOM 755 CA PRO A 55 -7.101 -13.106 -8.961 1.00 0.00 C ATOM 756 C PRO A 55 -6.684 -14.523 -8.590 1.00 0.00 C ATOM 757 O PRO A 55 -7.506 -15.338 -8.172 1.00 0.00 O ATOM 758 CB PRO A 55 -7.894 -13.102 -10.264 1.00 0.00 C ATOM 759 CG PRO A 55 -6.862 -12.965 -11.332 1.00 0.00 C ATOM 760 CD PRO A 55 -5.724 -12.172 -10.736 1.00 0.00 C ATOM 0 HA PRO A 55 -7.661 -12.742 -8.100 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.467 -14.022 -10.382 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.606 -12.277 -10.292 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.518 -13.944 -11.666 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.273 -12.457 -12.204 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.757 -12.590 -11.016 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.736 -11.137 -11.079 1.00 0.00 H new ATOM 768 N LEU A 56 -5.394 -14.806 -8.743 1.00 0.00 N ATOM 769 CA LEU A 56 -4.849 -16.118 -8.424 1.00 0.00 C ATOM 770 C LEU A 56 -3.934 -16.025 -7.209 1.00 0.00 C ATOM 771 O LEU A 56 -3.625 -17.029 -6.566 1.00 0.00 O ATOM 772 CB LEU A 56 -4.075 -16.674 -9.619 1.00 0.00 C ATOM 773 CG LEU A 56 -4.712 -17.887 -10.295 1.00 0.00 C ATOM 774 CD1 LEU A 56 -5.647 -17.447 -11.411 1.00 0.00 C ATOM 775 CD2 LEU A 56 -3.635 -18.817 -10.832 1.00 0.00 C ATOM 0 H LEU A 56 -4.704 -14.139 -9.088 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.674 -16.792 -8.195 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.962 -15.882 -10.360 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.073 -16.946 -9.288 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.299 -18.430 -9.554 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.091 -18.325 -11.881 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.436 -16.818 -10.998 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.085 -16.883 -12.155 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.103 -19.677 -11.311 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.024 -18.284 -11.560 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.005 -19.158 -10.010 1.00 0.00 H new ATOM 787 N LEU A 57 -3.505 -14.806 -6.904 1.00 0.00 N ATOM 788 CA LEU A 57 -2.627 -14.561 -5.767 1.00 0.00 C ATOM 789 C LEU A 57 -3.133 -15.278 -4.524 1.00 0.00 C ATOM 790 O LEU A 57 -4.239 -15.020 -4.052 1.00 0.00 O ATOM 791 CB LEU A 57 -2.523 -13.060 -5.501 1.00 0.00 C ATOM 792 CG LEU A 57 -1.224 -12.610 -4.839 1.00 0.00 C ATOM 793 CD1 LEU A 57 -0.588 -11.478 -5.629 1.00 0.00 C ATOM 794 CD2 LEU A 57 -1.487 -12.181 -3.403 1.00 0.00 C ATOM 0 H LEU A 57 -3.753 -13.969 -7.431 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.638 -14.952 -6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.633 -12.530 -6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.358 -12.760 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.529 -13.450 -4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.337 -11.170 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.370 -11.819 -6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.275 -10.633 -5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.552 -11.862 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.197 -11.354 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.901 -13.019 -2.843 1.00 0.00 H new ATOM 806 N CYS A 58 -2.315 -16.186 -4.001 1.00 0.00 N ATOM 807 CA CYS A 58 -2.686 -16.944 -2.816 1.00 0.00 C ATOM 808 C CYS A 58 -4.128 -17.421 -2.927 1.00 0.00 C ATOM 809 O CYS A 58 -4.808 -17.633 -1.923 1.00 0.00 O ATOM 810 CB CYS A 58 -2.499 -16.090 -1.561 1.00 0.00 C ATOM 811 SG CYS A 58 -0.838 -15.354 -1.417 1.00 0.00 S ATOM 0 H CYS A 58 -1.395 -16.413 -4.379 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.037 -17.817 -2.740 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.242 -15.292 -1.561 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.692 -16.705 -0.682 1.00 0.00 H new ATOM 816 N ARG A 59 -4.582 -17.588 -4.165 1.00 0.00 N ATOM 817 CA ARG A 59 -5.940 -18.040 -4.435 1.00 0.00 C ATOM 818 C ARG A 59 -6.260 -19.301 -3.640 1.00 0.00 C ATOM 819 O ARG A 59 -7.403 -19.521 -3.238 1.00 0.00 O ATOM 820 CB ARG A 59 -6.110 -18.303 -5.933 1.00 0.00 C ATOM 821 CG ARG A 59 -7.559 -18.425 -6.373 1.00 0.00 C ATOM 822 CD ARG A 59 -7.829 -19.767 -7.034 1.00 0.00 C ATOM 823 NE ARG A 59 -9.006 -20.425 -6.472 1.00 0.00 N ATOM 824 CZ ARG A 59 -9.632 -21.439 -7.059 1.00 0.00 C ATOM 825 NH1 ARG A 59 -9.196 -21.908 -8.220 1.00 0.00 N ATOM 826 NH2 ARG A 59 -10.696 -21.985 -6.486 1.00 0.00 N ATOM 0 H ARG A 59 -4.024 -17.415 -5.001 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.634 -17.258 -4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.638 -17.494 -6.490 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.582 -19.220 -6.194 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.214 -18.305 -5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.798 -17.621 -7.069 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.971 -19.622 -8.105 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.959 -20.413 -6.912 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.367 -20.087 -5.580 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.378 -21.490 -8.664 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.678 -22.687 -8.669 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.035 -21.626 -5.593 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.176 -22.764 -6.938 1.00 0.00 H new ATOM 840 N GLY A 60 -5.240 -20.120 -3.411 1.00 0.00 N ATOM 841 CA GLY A 60 -5.427 -21.346 -2.658 1.00 0.00 C ATOM 842 C GLY A 60 -4.503 -21.425 -1.458 1.00 0.00 C ATOM 843 O GLY A 60 -4.173 -22.514 -0.991 1.00 0.00 O ATOM 0 H GLY A 60 -4.286 -19.957 -3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.462 -21.411 -2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.249 -22.202 -3.309 1.00 0.00 H new ATOM 847 N GLY A 61 -4.085 -20.265 -0.963 1.00 0.00 N ATOM 848 CA GLY A 61 -3.196 -20.224 0.181 1.00 0.00 C ATOM 849 C GLY A 61 -3.469 -19.041 1.090 1.00 0.00 C ATOM 850 O GLY A 61 -4.596 -18.845 1.544 1.00 0.00 O ATOM 0 H GLY A 61 -4.347 -19.352 -1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.301 -21.147 0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.164 -20.180 -0.167 1.00 0.00 H new ATOM 854 N VAL A 62 -2.434 -18.251 1.355 1.00 0.00 N ATOM 855 CA VAL A 62 -2.559 -17.080 2.212 1.00 0.00 C ATOM 856 C VAL A 62 -1.763 -15.913 1.643 1.00 0.00 C ATOM 857 O VAL A 62 -0.619 -16.078 1.219 1.00 0.00 O ATOM 858 CB VAL A 62 -2.070 -17.374 3.646 1.00 0.00 C ATOM 859 CG1 VAL A 62 -1.857 -16.081 4.421 1.00 0.00 C ATOM 860 CG2 VAL A 62 -3.054 -18.281 4.368 1.00 0.00 C ATOM 0 H VAL A 62 -1.495 -18.402 0.986 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.617 -16.819 2.250 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.112 -17.890 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.512 -16.313 5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.109 -15.472 3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.796 -15.531 4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.694 -18.478 5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.028 -17.794 4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.147 -19.222 3.826 1.00 0.00 H new ATOM 870 N CYS A 63 -2.373 -14.735 1.635 1.00 0.00 N ATOM 871 CA CYS A 63 -1.715 -13.547 1.114 1.00 0.00 C ATOM 872 C CYS A 63 -1.346 -12.581 2.233 1.00 0.00 C ATOM 873 O CYS A 63 -2.172 -11.782 2.677 1.00 0.00 O ATOM 874 CB CYS A 63 -2.612 -12.843 0.097 1.00 0.00 C ATOM 875 SG CYS A 63 -1.896 -11.314 -0.586 1.00 0.00 S ATOM 0 H CYS A 63 -3.319 -14.578 1.982 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.797 -13.867 0.622 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.825 -13.530 -0.722 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.565 -12.606 0.570 1.00 0.00 H new ATOM 880 N HIS A 64 -0.096 -12.651 2.677 1.00 0.00 N ATOM 881 CA HIS A 64 0.389 -11.774 3.735 1.00 0.00 C ATOM 882 C HIS A 64 0.940 -10.486 3.137 1.00 0.00 C ATOM 883 O HIS A 64 2.130 -10.190 3.250 1.00 0.00 O ATOM 884 CB HIS A 64 1.476 -12.472 4.554 1.00 0.00 C ATOM 885 CG HIS A 64 1.036 -13.773 5.149 1.00 0.00 C ATOM 886 ND1 HIS A 64 1.314 -14.994 4.574 1.00 0.00 N ATOM 887 CD2 HIS A 64 0.334 -14.040 6.276 1.00 0.00 C ATOM 888 CE1 HIS A 64 0.803 -15.956 5.319 1.00 0.00 C ATOM 889 NE2 HIS A 64 0.204 -15.404 6.359 1.00 0.00 N ATOM 0 H HIS A 64 0.600 -13.306 2.320 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.446 -11.534 4.393 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.342 -12.648 3.917 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.799 -11.807 5.355 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.051 -13.315 6.978 1.00 0.00 H new ATOM 0 HE1 HIS A 64 0.864 -17.014 5.113 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.277 -15.909 7.103 1.00 0.00 H new ATOM 898 N ASN A 65 0.059 -9.728 2.494 1.00 0.00 N ATOM 899 CA ASN A 65 0.442 -8.468 1.868 1.00 0.00 C ATOM 900 C ASN A 65 1.315 -7.637 2.801 1.00 0.00 C ATOM 901 O ASN A 65 0.913 -7.310 3.919 1.00 0.00 O ATOM 902 CB ASN A 65 -0.807 -7.674 1.476 1.00 0.00 C ATOM 903 CG ASN A 65 -0.482 -6.272 1.003 1.00 0.00 C ATOM 904 OD1 ASN A 65 0.353 -5.583 1.589 1.00 0.00 O ATOM 905 ND2 ASN A 65 -1.145 -5.840 -0.065 1.00 0.00 N ATOM 0 H ASN A 65 -0.928 -9.965 2.392 1.00 0.00 H new ATOM 0 HA ASN A 65 1.019 -8.696 0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.338 -8.206 0.686 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.480 -7.618 2.331 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.970 -4.904 -0.430 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.829 -6.445 -0.520 1.00 0.00 H new ATOM 912 N THR A 66 2.512 -7.299 2.335 1.00 0.00 N ATOM 913 CA THR A 66 3.446 -6.507 3.122 1.00 0.00 C ATOM 914 C THR A 66 3.792 -5.203 2.410 1.00 0.00 C ATOM 915 O THR A 66 3.117 -4.806 1.460 1.00 0.00 O ATOM 916 CB THR A 66 4.743 -7.286 3.405 1.00 0.00 C ATOM 917 OG1 THR A 66 5.708 -7.023 2.378 1.00 0.00 O ATOM 918 CG2 THR A 66 4.471 -8.781 3.481 1.00 0.00 C ATOM 0 H THR A 66 2.858 -7.563 1.413 1.00 0.00 H new ATOM 0 HA THR A 66 2.954 -6.282 4.069 1.00 0.00 H new ATOM 0 HB THR A 66 5.137 -6.955 4.366 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.531 -7.521 2.567 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.402 -9.311 3.682 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.760 -8.981 4.282 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.056 -9.124 2.533 1.00 0.00 H new ATOM 926 N GLU A 67 4.846 -4.541 2.875 1.00 0.00 N ATOM 927 CA GLU A 67 5.280 -3.281 2.282 1.00 0.00 C ATOM 928 C GLU A 67 5.953 -3.513 0.933 1.00 0.00 C ATOM 929 O GLU A 67 6.708 -4.469 0.761 1.00 0.00 O ATOM 930 CB GLU A 67 6.240 -2.554 3.225 1.00 0.00 C ATOM 931 CG GLU A 67 5.584 -1.433 4.015 1.00 0.00 C ATOM 932 CD GLU A 67 6.435 -0.966 5.180 1.00 0.00 C ATOM 933 OE1 GLU A 67 7.662 -1.194 5.148 1.00 0.00 O ATOM 934 OE2 GLU A 67 5.874 -0.372 6.125 1.00 0.00 O ATOM 0 H GLU A 67 5.416 -4.856 3.660 1.00 0.00 H new ATOM 0 HA GLU A 67 4.397 -2.662 2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.668 -3.275 3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.065 -2.143 2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.390 -0.591 3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.618 -1.774 4.389 1.00 0.00 H new ATOM 941 N GLY A 68 5.674 -2.628 -0.020 1.00 0.00 N ATOM 942 CA GLY A 68 6.259 -2.748 -1.343 1.00 0.00 C ATOM 943 C GLY A 68 6.424 -4.191 -1.778 1.00 0.00 C ATOM 944 O GLY A 68 7.402 -4.537 -2.441 1.00 0.00 O ATOM 0 H GLY A 68 5.052 -1.829 0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.630 -2.225 -2.063 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.232 -2.256 -1.352 1.00 0.00 H new ATOM 948 N SER A 69 5.468 -5.032 -1.406 1.00 0.00 N ATOM 949 CA SER A 69 5.511 -6.445 -1.762 1.00 0.00 C ATOM 950 C SER A 69 4.440 -7.231 -1.014 1.00 0.00 C ATOM 951 O SER A 69 3.662 -6.663 -0.247 1.00 0.00 O ATOM 952 CB SER A 69 6.892 -7.027 -1.454 1.00 0.00 C ATOM 953 OG SER A 69 7.411 -7.729 -2.570 1.00 0.00 O ATOM 0 H SER A 69 4.652 -4.760 -0.857 1.00 0.00 H new ATOM 0 HA SER A 69 5.316 -6.529 -2.831 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.575 -6.224 -1.176 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.824 -7.698 -0.598 1.00 0.00 H new ATOM 0 HG SER A 69 8.295 -8.089 -2.348 1.00 0.00 H new ATOM 959 N TYR A 70 4.405 -8.540 -1.242 1.00 0.00 N ATOM 960 CA TYR A 70 3.429 -9.404 -0.589 1.00 0.00 C ATOM 961 C TYR A 70 3.960 -10.826 -0.466 1.00 0.00 C ATOM 962 O TYR A 70 4.725 -11.288 -1.312 1.00 0.00 O ATOM 963 CB TYR A 70 2.109 -9.390 -1.365 1.00 0.00 C ATOM 964 CG TYR A 70 2.021 -10.435 -2.452 1.00 0.00 C ATOM 965 CD1 TYR A 70 2.582 -10.212 -3.703 1.00 0.00 C ATOM 966 CD2 TYR A 70 1.370 -11.642 -2.231 1.00 0.00 C ATOM 967 CE1 TYR A 70 2.497 -11.161 -4.703 1.00 0.00 C ATOM 968 CE2 TYR A 70 1.282 -12.597 -3.225 1.00 0.00 C ATOM 969 CZ TYR A 70 1.847 -12.352 -4.460 1.00 0.00 C ATOM 970 OH TYR A 70 1.761 -13.301 -5.452 1.00 0.00 O ATOM 0 H TYR A 70 5.042 -9.025 -1.874 1.00 0.00 H new ATOM 0 HA TYR A 70 3.249 -9.022 0.416 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.287 -9.539 -0.665 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.973 -8.405 -1.811 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.093 -9.281 -3.897 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.925 -11.837 -1.266 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.938 -10.971 -5.671 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.773 -13.531 -3.037 1.00 0.00 H new ATOM 0 HH TYR A 70 1.494 -14.159 -5.061 1.00 0.00 H new ATOM 980 N ARG A 71 3.550 -11.517 0.593 1.00 0.00 N ATOM 981 CA ARG A 71 3.994 -12.888 0.818 1.00 0.00 C ATOM 982 C ARG A 71 2.852 -13.873 0.608 1.00 0.00 C ATOM 983 O ARG A 71 1.736 -13.653 1.075 1.00 0.00 O ATOM 984 CB ARG A 71 4.561 -13.054 2.231 1.00 0.00 C ATOM 985 CG ARG A 71 4.792 -11.743 2.965 1.00 0.00 C ATOM 986 CD ARG A 71 6.090 -11.082 2.532 1.00 0.00 C ATOM 987 NE ARG A 71 7.031 -10.945 3.641 1.00 0.00 N ATOM 988 CZ ARG A 71 7.892 -11.895 3.996 1.00 0.00 C ATOM 989 NH1 ARG A 71 7.927 -13.042 3.334 1.00 0.00 N ATOM 990 NH2 ARG A 71 8.717 -11.695 5.014 1.00 0.00 N ATOM 0 H ARG A 71 2.916 -11.153 1.304 1.00 0.00 H new ATOM 0 HA ARG A 71 4.780 -13.100 0.094 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.877 -13.670 2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.505 -13.596 2.171 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.958 -11.067 2.776 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.817 -11.926 4.039 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.549 -11.670 1.738 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.874 -10.098 2.116 1.00 0.00 H new ATOM 0 HE ARG A 71 7.028 -10.074 4.172 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.293 -13.198 2.550 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.588 -13.769 3.608 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.692 -10.813 5.525 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.377 -12.423 5.286 1.00 0.00 H new ATOM 1004 N CYS A 72 3.140 -14.965 -0.087 1.00 0.00 N ATOM 1005 CA CYS A 72 2.139 -15.989 -0.345 1.00 0.00 C ATOM 1006 C CYS A 72 2.481 -17.260 0.424 1.00 0.00 C ATOM 1007 O CYS A 72 3.623 -17.718 0.410 1.00 0.00 O ATOM 1008 CB CYS A 72 2.039 -16.278 -1.844 1.00 0.00 C ATOM 1009 SG CYS A 72 0.351 -16.654 -2.427 1.00 0.00 S ATOM 0 H CYS A 72 4.059 -15.164 -0.482 1.00 0.00 H new ATOM 0 HA CYS A 72 1.170 -15.624 -0.004 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.417 -15.416 -2.394 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.689 -17.119 -2.084 1.00 0.00 H new ATOM 1014 N GLU A 73 1.490 -17.811 1.114 1.00 0.00 N ATOM 1015 CA GLU A 73 1.690 -19.013 1.913 1.00 0.00 C ATOM 1016 C GLU A 73 0.608 -20.054 1.630 1.00 0.00 C ATOM 1017 O GLU A 73 -0.582 -19.757 1.691 1.00 0.00 O ATOM 1018 CB GLU A 73 1.688 -18.636 3.394 1.00 0.00 C ATOM 1019 CG GLU A 73 2.982 -18.977 4.114 1.00 0.00 C ATOM 1020 CD GLU A 73 3.454 -17.861 5.025 1.00 0.00 C ATOM 1021 OE1 GLU A 73 2.825 -17.650 6.082 1.00 0.00 O ATOM 1022 OE2 GLU A 73 4.454 -17.196 4.680 1.00 0.00 O ATOM 0 H GLU A 73 0.539 -17.444 1.136 1.00 0.00 H new ATOM 0 HA GLU A 73 2.650 -19.455 1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.502 -17.566 3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.862 -19.147 3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.839 -19.884 4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.757 -19.193 3.378 1.00 0.00 H new ATOM 1029 N CYS A 74 1.034 -21.274 1.309 1.00 0.00 N ATOM 1030 CA CYS A 74 0.102 -22.351 1.003 1.00 0.00 C ATOM 1031 C CYS A 74 -0.528 -22.948 2.271 1.00 0.00 C ATOM 1032 O CYS A 74 -1.669 -23.410 2.234 1.00 0.00 O ATOM 1033 CB CYS A 74 0.795 -23.448 0.192 1.00 0.00 C ATOM 1034 SG CYS A 74 0.085 -23.721 -1.466 1.00 0.00 S ATOM 0 H CYS A 74 2.018 -21.539 1.255 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.703 -21.919 0.408 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.849 -23.193 0.085 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.748 -24.382 0.752 1.00 0.00 H new ATOM 1039 N PRO A 75 0.203 -22.972 3.414 1.00 0.00 N ATOM 1040 CA PRO A 75 1.572 -22.439 3.533 1.00 0.00 C ATOM 1041 C PRO A 75 2.604 -23.305 2.816 1.00 0.00 C ATOM 1042 O PRO A 75 2.254 -24.224 2.079 1.00 0.00 O ATOM 1043 CB PRO A 75 1.838 -22.453 5.053 1.00 0.00 C ATOM 1044 CG PRO A 75 0.508 -22.706 5.685 1.00 0.00 C ATOM 1045 CD PRO A 75 -0.270 -23.506 4.690 1.00 0.00 C ATOM 0 HA PRO A 75 1.656 -21.453 3.076 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.554 -23.230 5.320 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.258 -21.504 5.387 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.618 -23.249 6.623 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.001 -21.770 5.916 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.070 -24.573 4.782 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.345 -23.372 4.813 1.00 0.00 H new ATOM 1053 N PRO A 76 3.899 -23.031 3.048 1.00 0.00 N ATOM 1054 CA PRO A 76 4.994 -23.789 2.439 1.00 0.00 C ATOM 1055 C PRO A 76 4.752 -25.293 2.453 1.00 0.00 C ATOM 1056 O PRO A 76 3.728 -25.767 2.944 1.00 0.00 O ATOM 1057 CB PRO A 76 6.188 -23.423 3.315 1.00 0.00 C ATOM 1058 CG PRO A 76 5.893 -22.039 3.778 1.00 0.00 C ATOM 1059 CD PRO A 76 4.396 -21.965 3.940 1.00 0.00 C ATOM 0 HA PRO A 76 5.125 -23.547 1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.291 -24.110 4.155 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.121 -23.464 2.753 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.398 -21.827 4.720 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.244 -21.303 3.055 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.095 -22.134 4.974 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.009 -20.988 3.652 1.00 0.00 H new ATOM 1067 N GLY A 77 5.695 -26.039 1.894 1.00 0.00 N ATOM 1068 CA GLY A 77 5.555 -27.480 1.830 1.00 0.00 C ATOM 1069 C GLY A 77 4.867 -27.901 0.549 1.00 0.00 C ATOM 1070 O GLY A 77 4.952 -29.055 0.131 1.00 0.00 O ATOM 0 H GLY A 77 6.554 -25.672 1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.538 -27.948 1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.982 -27.832 2.688 1.00 0.00 H new ATOM 1074 N HIS A 78 4.193 -26.941 -0.078 1.00 0.00 N ATOM 1075 CA HIS A 78 3.487 -27.177 -1.327 1.00 0.00 C ATOM 1076 C HIS A 78 4.285 -26.580 -2.493 1.00 0.00 C ATOM 1077 O HIS A 78 5.476 -26.859 -2.628 1.00 0.00 O ATOM 1078 CB HIS A 78 2.078 -26.582 -1.245 1.00 0.00 C ATOM 1079 CG HIS A 78 1.093 -27.242 -2.158 1.00 0.00 C ATOM 1080 ND1 HIS A 78 -0.223 -26.842 -2.264 1.00 0.00 N ATOM 1081 CD2 HIS A 78 1.239 -28.282 -3.014 1.00 0.00 C ATOM 1082 CE1 HIS A 78 -0.844 -27.608 -3.143 1.00 0.00 C ATOM 1083 NE2 HIS A 78 0.020 -28.488 -3.613 1.00 0.00 N ATOM 0 H HIS A 78 4.123 -25.983 0.266 1.00 0.00 H new ATOM 0 HA HIS A 78 3.389 -28.249 -1.501 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.719 -26.661 -0.219 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.127 -25.520 -1.485 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -0.650 -26.075 -1.745 1.00 0.00 H new ATOM 0 HD2 HIS A 78 2.144 -28.844 -3.192 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -1.882 -27.528 -3.429 1.00 0.00 H new ATOM 1092 N GLN A 79 3.651 -25.757 -3.330 1.00 0.00 N ATOM 1093 CA GLN A 79 4.350 -25.145 -4.451 1.00 0.00 C ATOM 1094 C GLN A 79 3.726 -23.797 -4.782 1.00 0.00 C ATOM 1095 O GLN A 79 3.225 -23.584 -5.886 1.00 0.00 O ATOM 1096 CB GLN A 79 4.309 -26.062 -5.673 1.00 0.00 C ATOM 1097 CG GLN A 79 5.652 -26.676 -6.027 1.00 0.00 C ATOM 1098 CD GLN A 79 5.877 -26.741 -7.525 1.00 0.00 C ATOM 1099 OE1 GLN A 79 7.016 -26.729 -7.995 1.00 0.00 O ATOM 1100 NE2 GLN A 79 4.789 -26.810 -8.286 1.00 0.00 N ATOM 0 H GLN A 79 2.666 -25.504 -3.251 1.00 0.00 H new ATOM 0 HA GLN A 79 5.392 -24.992 -4.170 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.592 -26.862 -5.491 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.943 -25.495 -6.529 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.449 -26.092 -5.567 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.711 -27.681 -5.609 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.865 -26.817 -7.855 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.879 -26.856 -9.301 1.00 0.00 H new ATOM 1109 N LEU A 80 3.743 -22.898 -3.807 1.00 0.00 N ATOM 1110 CA LEU A 80 3.162 -21.575 -3.978 1.00 0.00 C ATOM 1111 C LEU A 80 4.157 -20.604 -4.599 1.00 0.00 C ATOM 1112 O LEU A 80 5.288 -20.472 -4.134 1.00 0.00 O ATOM 1113 CB LEU A 80 2.675 -21.041 -2.631 1.00 0.00 C ATOM 1114 CG LEU A 80 2.158 -19.599 -2.633 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.680 -19.185 -4.018 1.00 0.00 C ATOM 1116 CD2 LEU A 80 1.038 -19.441 -1.616 1.00 0.00 C ATOM 0 H LEU A 80 4.154 -23.062 -2.888 1.00 0.00 H new ATOM 0 HA LEU A 80 2.316 -21.665 -4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.879 -21.692 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.494 -21.112 -1.916 1.00 0.00 H new ATOM 0 HG LEU A 80 2.984 -18.944 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.319 -18.157 -3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.506 -19.258 -4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.872 -19.843 -4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.679 -18.412 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.219 -20.114 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.413 -19.684 -0.622 1.00 0.00 H new ATOM 1128 N SER A 81 3.717 -19.923 -5.648 1.00 0.00 N ATOM 1129 CA SER A 81 4.553 -18.954 -6.340 1.00 0.00 C ATOM 1130 C SER A 81 4.998 -17.848 -5.387 1.00 0.00 C ATOM 1131 O SER A 81 4.190 -17.297 -4.640 1.00 0.00 O ATOM 1132 CB SER A 81 3.784 -18.351 -7.515 1.00 0.00 C ATOM 1133 OG SER A 81 2.474 -18.885 -7.597 1.00 0.00 O ATOM 0 H SER A 81 2.781 -20.025 -6.039 1.00 0.00 H new ATOM 0 HA SER A 81 5.440 -19.465 -6.714 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.732 -17.268 -7.402 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.319 -18.549 -8.444 1.00 0.00 H new ATOM 0 HG SER A 81 1.952 -18.373 -8.249 1.00 0.00 H new ATOM 1139 N PRO A 82 6.295 -17.511 -5.402 1.00 0.00 N ATOM 1140 CA PRO A 82 6.852 -16.465 -4.536 1.00 0.00 C ATOM 1141 C PRO A 82 6.137 -15.131 -4.719 1.00 0.00 C ATOM 1142 O PRO A 82 5.745 -14.485 -3.749 1.00 0.00 O ATOM 1143 CB PRO A 82 8.309 -16.356 -4.991 1.00 0.00 C ATOM 1144 CG PRO A 82 8.609 -17.664 -5.639 1.00 0.00 C ATOM 1145 CD PRO A 82 7.321 -18.120 -6.264 1.00 0.00 C ATOM 0 HA PRO A 82 6.743 -16.710 -3.479 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.444 -15.530 -5.689 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.974 -16.172 -4.147 1.00 0.00 H new ATOM 0 HG2 PRO A 82 9.391 -17.557 -6.391 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.966 -18.389 -4.908 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.232 -17.782 -7.296 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.242 -19.207 -6.277 1.00 0.00 H new ATOM 1153 N ASN A 83 5.970 -14.730 -5.974 1.00 0.00 N ATOM 1154 CA ASN A 83 5.301 -13.476 -6.297 1.00 0.00 C ATOM 1155 C ASN A 83 4.535 -13.597 -7.608 1.00 0.00 C ATOM 1156 O ASN A 83 4.232 -12.596 -8.258 1.00 0.00 O ATOM 1157 CB ASN A 83 6.319 -12.339 -6.390 1.00 0.00 C ATOM 1158 CG ASN A 83 6.708 -11.801 -5.027 1.00 0.00 C ATOM 1159 OD1 ASN A 83 7.891 -11.683 -4.708 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.710 -11.473 -4.215 1.00 0.00 N ATOM 0 H ASN A 83 6.290 -15.257 -6.787 1.00 0.00 H new ATOM 0 HA ASN A 83 4.592 -13.252 -5.500 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.211 -12.694 -6.906 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.904 -11.531 -6.992 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.909 -11.106 -3.284 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.744 -11.588 -4.522 1.00 0.00 H new ATOM 1167 N ILE A 84 4.226 -14.831 -7.992 1.00 0.00 N ATOM 1168 CA ILE A 84 3.495 -15.086 -9.226 1.00 0.00 C ATOM 1169 C ILE A 84 1.992 -15.121 -8.967 1.00 0.00 C ATOM 1170 O ILE A 84 1.191 -14.877 -9.869 1.00 0.00 O ATOM 1171 CB ILE A 84 3.933 -16.409 -9.881 1.00 0.00 C ATOM 1172 CG1 ILE A 84 5.403 -16.701 -9.560 1.00 0.00 C ATOM 1173 CG2 ILE A 84 3.717 -16.351 -11.386 1.00 0.00 C ATOM 1174 CD1 ILE A 84 6.279 -15.469 -9.557 1.00 0.00 C ATOM 0 H ILE A 84 4.471 -15.670 -7.466 1.00 0.00 H new ATOM 0 HA ILE A 84 3.725 -14.269 -9.910 1.00 0.00 H new ATOM 0 HB ILE A 84 3.324 -17.217 -9.476 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.464 -17.182 -8.584 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.791 -17.411 -10.290 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.031 -17.293 -11.835 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.661 -16.183 -11.596 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.304 -15.535 -11.807 1.00 0.00 H new ATOM 0 HD11 ILE A 84 7.305 -15.753 -9.322 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.248 -14.998 -10.540 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.916 -14.766 -8.807 1.00 0.00 H new ATOM 1186 N SER A 85 1.622 -15.408 -7.723 1.00 0.00 N ATOM 1187 CA SER A 85 0.217 -15.453 -7.331 1.00 0.00 C ATOM 1188 C SER A 85 -0.475 -16.723 -7.830 1.00 0.00 C ATOM 1189 O SER A 85 -1.007 -16.749 -8.941 1.00 0.00 O ATOM 1190 CB SER A 85 -0.510 -14.213 -7.862 1.00 0.00 C ATOM 1191 OG SER A 85 -1.679 -14.567 -8.581 1.00 0.00 O ATOM 0 H SER A 85 2.276 -15.613 -6.968 1.00 0.00 H new ATOM 0 HA SER A 85 0.175 -15.465 -6.242 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.776 -13.561 -7.030 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.159 -13.646 -8.509 1.00 0.00 H new ATOM 0 HG SER A 85 -1.447 -15.204 -9.289 1.00 0.00 H new ATOM 1197 N ALA A 86 -0.477 -17.768 -6.991 1.00 0.00 N ATOM 1198 CA ALA A 86 -1.120 -19.043 -7.332 1.00 0.00 C ATOM 1199 C ALA A 86 -0.436 -20.227 -6.650 1.00 0.00 C ATOM 1200 O ALA A 86 0.629 -20.670 -7.081 1.00 0.00 O ATOM 1201 CB ALA A 86 -1.129 -19.258 -8.839 1.00 0.00 C ATOM 0 H ALA A 86 -0.039 -17.754 -6.070 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.146 -18.987 -6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.610 -20.209 -9.068 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.679 -18.448 -9.319 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.104 -19.271 -9.211 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.063 -20.752 -5.598 1.00 0.00 N ATOM 1208 CA CYS A 87 -0.519 -21.902 -4.879 1.00 0.00 C ATOM 1209 C CYS A 87 -0.455 -23.116 -5.801 1.00 0.00 C ATOM 1210 O CYS A 87 -1.290 -23.265 -6.692 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.388 -22.224 -3.660 1.00 0.00 C ATOM 1212 SG CYS A 87 -0.582 -21.896 -2.060 1.00 0.00 S ATOM 0 H CYS A 87 -1.945 -20.400 -5.226 1.00 0.00 H new ATOM 0 HA CYS A 87 0.488 -21.656 -4.542 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.306 -21.640 -3.718 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.676 -23.275 -3.700 1.00 0.00 H new ATOM 1217 N ILE A 88 0.532 -23.985 -5.590 1.00 0.00 N ATOM 1218 CA ILE A 88 0.674 -25.176 -6.419 1.00 0.00 C ATOM 1219 C ILE A 88 1.343 -26.306 -5.650 1.00 0.00 C ATOM 1220 O ILE A 88 1.533 -26.153 -4.428 1.00 0.00 O ATOM 1221 CB ILE A 88 1.490 -24.887 -7.695 1.00 0.00 C ATOM 1222 CG1 ILE A 88 1.239 -23.461 -8.185 1.00 0.00 C ATOM 1223 CG2 ILE A 88 1.146 -25.895 -8.779 1.00 0.00 C ATOM 1224 CD1 ILE A 88 1.743 -23.206 -9.588 1.00 0.00 C ATOM 1225 OXT ILE A 88 1.672 -27.336 -6.276 1.00 0.00 O ATOM 0 H ILE A 88 1.237 -23.887 -4.860 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.334 -25.479 -6.704 1.00 0.00 H new ATOM 0 HB ILE A 88 2.550 -24.982 -7.457 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.169 -23.256 -8.149 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.720 -22.761 -7.502 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.729 -25.680 -9.674 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.378 -26.900 -8.428 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.084 -25.829 -9.013 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.531 -22.174 -9.869 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.819 -23.378 -9.625 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.243 -23.881 -10.282 1.00 0.00 H new TER 1237 ILE A 88 HETATM 1238 CA CA A 101 -1.773 21.479 -10.707 1.00 0.00 CA HETATM 1239 CA CA A 102 1.241 -4.259 -0.268 1.00 0.00 CA