USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 517 hydrogens (19 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-H: A 31 HIS HD1 : A 31 HIS ND1 : A 801 ZNZN :(H bumps) USER MOD NoAdj-H: C 4 MLY H2 : C 4 MLY N : C 3 THR C :(H bumps) USER MOD NoAdj-H: C 4 MLY H : C 4 MLY N : C 3 THR C :(H bumps) USER MOD Set 1.1: A 28 CYS SG : rot -102:sc= -0.996! USER MOD Set 1.2: A 30 GLN : amide:sc= -1.99! K(o=-2.7!,f=-6.4) USER MOD Set 1.3: A 46 TYR OH : rot -163:sc= 0.25 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -2 HIS : no HD1:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A -3 GLY N :NH3+ -132:sc= 0.0276 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0.0958 K(o=0.096,f=-0.67) USER MOD Single : A 17 ASN : amide:sc= -0.0194 X(o=-0.019,f=-0.22) USER MOD Single : A 20 MET CE :methyl 139:sc= -2.62! (180deg=-7.34!) USER MOD Single : A 22 GLN : amide:sc= 1.06 K(o=1.1,f=-5.1!) USER MOD Single : A 27 GLN : amide:sc=-0.00431 K(o=-0.0043,f=-0.71) USER MOD Single : A 35 MET CE :methyl -148:sc= -0.445 (180deg=-1.3) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 45 LYS NZ :NH3+ -137:sc= 1.24 (180deg=0.462) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0381 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0.823 K(o=0.82,f=0) USER MOD Single : C 1 ALA N :NH3+ 179:sc= 0.698 (180deg=0.697) USER MOD Single : C 3 THR OG1 : rot 180:sc= 0 USER MOD Single : C 5 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : C 6 THR OG1 : rot 180:sc= 0 USER MOD Single : C 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 10 SER OG : rot 180:sc= 0 USER MOD Single : C 11 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 9.938 4.486 -3.023 1.00 0.00 N ATOM 2 CA GLY A -3 11.422 4.534 -2.950 1.00 0.00 C ATOM 3 C GLY A -3 12.033 3.210 -2.502 1.00 0.00 C ATOM 4 O GLY A -3 11.424 2.154 -2.680 1.00 0.00 O ATOM 0 H1 GLY A -3 9.622 4.885 -3.930 1.00 0.00 H new ATOM 0 H2 GLY A -3 9.619 3.499 -2.949 1.00 0.00 H new ATOM 0 H3 GLY A -3 9.534 5.041 -2.241 1.00 0.00 H new ATOM 0 HA2 GLY A -3 11.821 4.801 -3.928 1.00 0.00 H new ATOM 0 HA3 GLY A -3 11.722 5.321 -2.258 1.00 0.00 H new ATOM 10 N HIS A -2 13.242 3.257 -1.921 1.00 0.00 N ATOM 11 CA HIS A -2 13.982 2.105 -1.354 1.00 0.00 C ATOM 12 C HIS A -2 14.198 0.943 -2.355 1.00 0.00 C ATOM 13 O HIS A -2 14.102 -0.236 -2.008 1.00 0.00 O ATOM 14 CB HIS A -2 13.337 1.691 -0.015 1.00 0.00 C ATOM 15 CG HIS A -2 14.157 0.801 0.901 1.00 0.00 C ATOM 16 ND1 HIS A -2 13.658 0.182 2.055 1.00 0.00 N ATOM 17 CD2 HIS A -2 15.476 0.464 0.768 1.00 0.00 C ATOM 18 CE1 HIS A -2 14.683 -0.510 2.583 1.00 0.00 C ATOM 19 NE2 HIS A -2 15.785 -0.362 1.827 1.00 0.00 N ATOM 0 H HIS A -2 13.757 4.132 -1.827 1.00 0.00 H new ATOM 0 HA HIS A -2 15.003 2.422 -1.143 1.00 0.00 H new ATOM 0 HB2 HIS A -2 13.083 2.598 0.533 1.00 0.00 H new ATOM 0 HB3 HIS A -2 12.400 1.179 -0.235 1.00 0.00 H new ATOM 0 HD2 HIS A -2 16.146 0.784 -0.016 1.00 0.00 H new ATOM 0 HE1 HIS A -2 14.629 -1.100 3.486 1.00 0.00 H new ATOM 0 HE2 HIS A -2 16.694 -0.788 2.007 1.00 0.00 H new ATOM 27 N MET A -1 14.474 1.281 -3.623 1.00 0.00 N ATOM 28 CA MET A -1 14.640 0.295 -4.711 1.00 0.00 C ATOM 29 C MET A -1 15.898 -0.578 -4.591 1.00 0.00 C ATOM 30 O MET A -1 15.900 -1.738 -4.997 1.00 0.00 O ATOM 31 CB MET A -1 14.687 1.031 -6.065 1.00 0.00 C ATOM 32 CG MET A -1 15.747 2.137 -6.206 1.00 0.00 C ATOM 33 SD MET A -1 15.721 2.962 -7.821 1.00 0.00 S ATOM 34 CE MET A -1 17.152 4.061 -7.628 1.00 0.00 C ATOM 0 H MET A -1 14.589 2.247 -3.928 1.00 0.00 H new ATOM 0 HA MET A -1 13.783 -0.375 -4.637 1.00 0.00 H new ATOM 0 HB2 MET A -1 14.857 0.293 -6.849 1.00 0.00 H new ATOM 0 HB3 MET A -1 13.707 1.472 -6.249 1.00 0.00 H new ATOM 0 HG2 MET A -1 15.591 2.881 -5.424 1.00 0.00 H new ATOM 0 HG3 MET A -1 16.735 1.706 -6.043 1.00 0.00 H new ATOM 0 HE1 MET A -1 17.285 4.649 -8.536 1.00 0.00 H new ATOM 0 HE2 MET A -1 16.986 4.730 -6.784 1.00 0.00 H new ATOM 0 HE3 MET A -1 18.047 3.465 -7.447 1.00 0.00 H new ATOM 44 N ASP A 0 16.977 0.011 -4.075 1.00 0.00 N ATOM 45 CA ASP A 0 18.355 -0.519 -4.013 1.00 0.00 C ATOM 46 C ASP A 0 18.958 -1.090 -5.306 1.00 0.00 C ATOM 47 O ASP A 0 20.030 -1.693 -5.292 1.00 0.00 O ATOM 48 CB ASP A 0 18.512 -1.527 -2.868 1.00 0.00 C ATOM 49 CG ASP A 0 18.482 -0.917 -1.452 1.00 0.00 C ATOM 50 OD1 ASP A 0 18.450 -1.705 -0.475 1.00 0.00 O ATOM 51 OD2 ASP A 0 18.497 0.330 -1.295 1.00 0.00 O1- ATOM 0 H ASP A 0 16.915 0.939 -3.657 1.00 0.00 H new ATOM 0 HA ASP A 0 18.943 0.381 -3.829 1.00 0.00 H new ATOM 0 HB2 ASP A 0 17.716 -2.268 -2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 0 19.455 -2.058 -2.998 1.00 0.00 H new ATOM 56 N ARG A 1 18.288 -0.865 -6.435 1.00 0.00 N ATOM 57 CA ARG A 1 18.694 -1.219 -7.816 1.00 0.00 C ATOM 58 C ARG A 1 19.044 -2.700 -8.039 1.00 0.00 C ATOM 59 O ARG A 1 19.612 -3.064 -9.071 1.00 0.00 O ATOM 60 CB ARG A 1 19.715 -0.160 -8.298 1.00 0.00 C ATOM 61 CG ARG A 1 21.118 -0.049 -7.683 1.00 0.00 C ATOM 62 CD ARG A 1 21.967 -1.317 -7.737 1.00 0.00 C ATOM 63 NE ARG A 1 22.172 -1.792 -9.121 1.00 0.00 N ATOM 64 CZ ARG A 1 23.160 -1.502 -9.948 1.00 0.00 C ATOM 65 NH1 ARG A 1 24.138 -0.704 -9.615 1.00 0.00 N1+ ATOM 66 NH2 ARG A 1 23.183 -2.020 -11.144 1.00 0.00 N ATOM 0 H ARG A 1 17.381 -0.398 -6.420 1.00 0.00 H new ATOM 0 HA ARG A 1 17.834 -1.163 -8.483 1.00 0.00 H new ATOM 0 HB2 ARG A 1 19.851 -0.318 -9.368 1.00 0.00 H new ATOM 0 HB3 ARG A 1 19.240 0.814 -8.177 1.00 0.00 H new ATOM 0 HG2 ARG A 1 21.657 0.749 -8.194 1.00 0.00 H new ATOM 0 HG3 ARG A 1 21.015 0.253 -6.641 1.00 0.00 H new ATOM 0 HD2 ARG A 1 22.935 -1.125 -7.274 1.00 0.00 H new ATOM 0 HD3 ARG A 1 21.484 -2.101 -7.153 1.00 0.00 H new ATOM 0 HE ARG A 1 21.459 -2.425 -9.484 1.00 0.00 H new ATOM 0 HH11 ARG A 1 24.157 -0.280 -8.688 1.00 0.00 H new ATOM 0 HH12 ARG A 1 24.883 -0.505 -10.282 1.00 0.00 H new ATOM 0 HH21 ARG A 1 22.438 -2.650 -11.442 1.00 0.00 H new ATOM 0 HH22 ARG A 1 23.946 -1.796 -11.782 1.00 0.00 H new ATOM 80 N TYR A 2 18.673 -3.551 -7.085 1.00 0.00 N ATOM 81 CA TYR A 2 18.993 -4.978 -7.029 1.00 0.00 C ATOM 82 C TYR A 2 17.994 -5.858 -7.799 1.00 0.00 C ATOM 83 O TYR A 2 16.833 -5.494 -8.011 1.00 0.00 O ATOM 84 CB TYR A 2 18.992 -5.421 -5.554 1.00 0.00 C ATOM 85 CG TYR A 2 20.352 -5.852 -5.036 1.00 0.00 C ATOM 86 CD1 TYR A 2 21.228 -4.903 -4.480 1.00 0.00 C ATOM 87 CD2 TYR A 2 20.742 -7.204 -5.113 1.00 0.00 C ATOM 88 CE1 TYR A 2 22.496 -5.299 -4.006 1.00 0.00 C ATOM 89 CE2 TYR A 2 22.007 -7.606 -4.642 1.00 0.00 C ATOM 90 CZ TYR A 2 22.888 -6.653 -4.085 1.00 0.00 C ATOM 91 OH TYR A 2 24.113 -7.048 -3.633 1.00 0.00 O ATOM 0 H TYR A 2 18.112 -3.249 -6.288 1.00 0.00 H new ATOM 0 HA TYR A 2 19.968 -5.107 -7.499 1.00 0.00 H new ATOM 0 HB2 TYR A 2 18.625 -4.599 -4.939 1.00 0.00 H new ATOM 0 HB3 TYR A 2 18.291 -6.247 -5.434 1.00 0.00 H new ATOM 0 HD1 TYR A 2 20.929 -3.867 -4.416 1.00 0.00 H new ATOM 0 HD2 TYR A 2 20.068 -7.935 -5.535 1.00 0.00 H new ATOM 0 HE1 TYR A 2 23.167 -4.566 -3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 2 22.303 -8.643 -4.707 1.00 0.00 H new ATOM 0 HH TYR A 2 24.214 -8.014 -3.764 1.00 0.00 H new ATOM 101 N ASP A 3 18.449 -7.060 -8.162 1.00 0.00 N ATOM 102 CA ASP A 3 17.600 -8.127 -8.697 1.00 0.00 C ATOM 103 C ASP A 3 17.042 -8.971 -7.534 1.00 0.00 C ATOM 104 O ASP A 3 17.815 -9.579 -6.785 1.00 0.00 O ATOM 105 CB ASP A 3 18.387 -9.011 -9.681 1.00 0.00 C ATOM 106 CG ASP A 3 18.896 -8.318 -10.963 1.00 0.00 C ATOM 107 OD1 ASP A 3 18.618 -7.120 -11.214 1.00 0.00 O ATOM 108 OD2 ASP A 3 19.602 -9.000 -11.748 1.00 0.00 O1- ATOM 0 H ASP A 3 19.432 -7.323 -8.091 1.00 0.00 H new ATOM 0 HA ASP A 3 16.770 -7.679 -9.244 1.00 0.00 H new ATOM 0 HB2 ASP A 3 19.245 -9.430 -9.155 1.00 0.00 H new ATOM 0 HB3 ASP A 3 17.752 -9.848 -9.973 1.00 0.00 H new ATOM 113 N PHE A 4 15.713 -9.045 -7.393 1.00 0.00 N ATOM 114 CA PHE A 4 15.040 -9.737 -6.285 1.00 0.00 C ATOM 115 C PHE A 4 14.144 -10.898 -6.758 1.00 0.00 C ATOM 116 O PHE A 4 13.007 -10.712 -7.191 1.00 0.00 O ATOM 117 CB PHE A 4 14.211 -8.710 -5.494 1.00 0.00 C ATOM 118 CG PHE A 4 14.990 -7.670 -4.705 1.00 0.00 C ATOM 119 CD1 PHE A 4 15.667 -8.043 -3.528 1.00 0.00 C ATOM 120 CD2 PHE A 4 15.029 -6.329 -5.133 1.00 0.00 C ATOM 121 CE1 PHE A 4 16.347 -7.079 -2.763 1.00 0.00 C ATOM 122 CE2 PHE A 4 15.700 -5.362 -4.362 1.00 0.00 C ATOM 123 CZ PHE A 4 16.353 -5.733 -3.172 1.00 0.00 C ATOM 0 H PHE A 4 15.064 -8.620 -8.055 1.00 0.00 H new ATOM 0 HA PHE A 4 15.807 -10.183 -5.652 1.00 0.00 H new ATOM 0 HB2 PHE A 4 13.558 -8.188 -6.193 1.00 0.00 H new ATOM 0 HB3 PHE A 4 13.568 -9.252 -4.801 1.00 0.00 H new ATOM 0 HD1 PHE A 4 15.664 -9.075 -3.211 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.543 -6.042 -6.054 1.00 0.00 H new ATOM 0 HE1 PHE A 4 16.865 -7.372 -1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.714 -4.331 -4.685 1.00 0.00 H new ATOM 0 HZ PHE A 4 16.857 -4.987 -2.575 1.00 0.00 H new ATOM 133 N GLU A 5 14.639 -12.126 -6.591 1.00 0.00 N ATOM 134 CA GLU A 5 13.918 -13.398 -6.747 1.00 0.00 C ATOM 135 C GLU A 5 12.902 -13.539 -5.612 1.00 0.00 C ATOM 136 O GLU A 5 13.252 -13.610 -4.433 1.00 0.00 O ATOM 137 CB GLU A 5 14.866 -14.631 -6.711 1.00 0.00 C ATOM 138 CG GLU A 5 16.132 -14.488 -5.839 1.00 0.00 C ATOM 139 CD GLU A 5 16.974 -15.780 -5.785 1.00 0.00 C ATOM 140 OE1 GLU A 5 16.408 -16.896 -5.675 1.00 0.00 O ATOM 141 OE2 GLU A 5 18.225 -15.690 -5.848 1.00 0.00 O1- ATOM 0 H GLU A 5 15.613 -12.271 -6.327 1.00 0.00 H new ATOM 0 HA GLU A 5 13.431 -13.376 -7.722 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.298 -15.490 -6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.176 -14.856 -7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.746 -13.676 -6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 5 15.840 -14.208 -4.827 1.00 0.00 H new ATOM 148 N VAL A 6 11.627 -13.584 -5.998 1.00 0.00 N ATOM 149 CA VAL A 6 10.510 -13.569 -5.056 1.00 0.00 C ATOM 150 C VAL A 6 9.430 -14.518 -5.515 1.00 0.00 C ATOM 151 O VAL A 6 8.733 -14.228 -6.473 1.00 0.00 O ATOM 152 CB VAL A 6 10.007 -12.117 -4.899 1.00 0.00 C ATOM 153 CG1 VAL A 6 8.656 -12.010 -4.175 1.00 0.00 C ATOM 154 CG2 VAL A 6 10.992 -11.222 -4.137 1.00 0.00 C ATOM 0 H VAL A 6 11.340 -13.632 -6.976 1.00 0.00 H new ATOM 0 HA VAL A 6 10.831 -13.918 -4.074 1.00 0.00 H new ATOM 0 HB VAL A 6 9.902 -11.776 -5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.365 -10.962 -4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.899 -12.558 -4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.745 -12.434 -3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.583 -10.215 -4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.153 -11.627 -3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.941 -11.188 -4.672 1.00 0.00 H new ATOM 164 N VAL A 7 9.248 -15.657 -4.860 1.00 0.00 N ATOM 165 CA VAL A 7 8.230 -16.633 -5.286 1.00 0.00 C ATOM 166 C VAL A 7 6.848 -16.099 -4.891 1.00 0.00 C ATOM 167 O VAL A 7 6.404 -16.214 -3.750 1.00 0.00 O ATOM 168 CB VAL A 7 8.476 -18.027 -4.677 1.00 0.00 C ATOM 169 CG1 VAL A 7 7.351 -18.996 -5.037 1.00 0.00 C ATOM 170 CG2 VAL A 7 9.745 -18.668 -5.245 1.00 0.00 C ATOM 0 H VAL A 7 9.783 -15.935 -4.037 1.00 0.00 H new ATOM 0 HA VAL A 7 8.288 -16.755 -6.368 1.00 0.00 H new ATOM 0 HB VAL A 7 8.548 -17.868 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.554 -19.970 -4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.405 -18.613 -4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.291 -19.097 -6.121 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.889 -19.650 -4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.646 -18.775 -6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.604 -18.036 -5.020 1.00 0.00 H new ATOM 180 N ARG A 8 6.156 -15.506 -5.857 1.00 0.00 N ATOM 181 CA ARG A 8 4.811 -14.940 -5.708 1.00 0.00 C ATOM 182 C ARG A 8 3.903 -15.524 -6.763 1.00 0.00 C ATOM 183 O ARG A 8 3.825 -15.001 -7.868 1.00 0.00 O ATOM 184 CB ARG A 8 4.881 -13.404 -5.779 1.00 0.00 C ATOM 185 CG ARG A 8 4.748 -12.758 -4.403 1.00 0.00 C ATOM 186 CD ARG A 8 4.918 -11.229 -4.588 1.00 0.00 C ATOM 187 NE ARG A 8 4.077 -10.420 -3.668 1.00 0.00 N ATOM 188 CZ ARG A 8 4.205 -10.286 -2.358 1.00 0.00 C ATOM 189 NH1 ARG A 8 5.150 -10.871 -1.675 1.00 0.00 N1+ ATOM 190 NH2 ARG A 8 3.368 -9.546 -1.694 1.00 0.00 N ATOM 0 H ARG A 8 6.525 -15.400 -6.802 1.00 0.00 H new ATOM 0 HA ARG A 8 4.396 -15.199 -4.734 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.828 -13.105 -6.229 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.088 -13.035 -6.430 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.776 -12.985 -3.965 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.504 -13.148 -3.722 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.965 -10.967 -4.434 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.672 -10.967 -5.617 1.00 0.00 H new ATOM 0 HE ARG A 8 3.308 -9.906 -4.098 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.832 -11.462 -2.150 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.207 -10.737 -0.665 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.611 -9.068 -2.183 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.468 -9.444 -0.684 1.00 0.00 H new ATOM 204 N CYS A 9 3.273 -16.639 -6.413 1.00 0.00 N ATOM 205 CA CYS A 9 2.190 -17.253 -7.193 1.00 0.00 C ATOM 206 C CYS A 9 0.804 -16.758 -6.744 1.00 0.00 C ATOM 207 O CYS A 9 0.627 -16.393 -5.588 1.00 0.00 O ATOM 208 CB CYS A 9 2.311 -18.784 -7.087 1.00 0.00 C ATOM 209 SG CYS A 9 1.145 -19.647 -8.194 1.00 0.00 S ATOM 0 H CYS A 9 3.500 -17.156 -5.564 1.00 0.00 H new ATOM 0 HA CYS A 9 2.289 -16.955 -8.237 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.330 -19.084 -7.331 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.126 -19.091 -6.057 1.00 0.00 H new ATOM 214 N ILE A 10 -0.219 -16.906 -7.604 1.00 0.00 N ATOM 215 CA ILE A 10 -1.655 -16.706 -7.271 1.00 0.00 C ATOM 216 C ILE A 10 -2.129 -17.546 -6.079 1.00 0.00 C ATOM 217 O ILE A 10 -3.176 -17.301 -5.483 1.00 0.00 O ATOM 218 CB ILE A 10 -2.565 -17.059 -8.468 1.00 0.00 C ATOM 219 CG1 ILE A 10 -2.336 -18.418 -9.178 1.00 0.00 C ATOM 220 CG2 ILE A 10 -2.404 -15.930 -9.479 1.00 0.00 C ATOM 221 CD1 ILE A 10 -2.726 -19.684 -8.406 1.00 0.00 C ATOM 0 H ILE A 10 -0.074 -17.175 -8.577 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.733 -15.650 -7.014 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.568 -17.169 -8.056 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.893 -18.408 -10.115 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.279 -18.491 -9.436 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.029 -16.129 -10.350 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.707 -14.987 -9.023 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.361 -15.864 -9.788 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.514 -20.562 -9.016 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.152 -19.738 -7.481 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.790 -19.654 -8.171 1.00 0.00 H new ATOM 233 N CYS A 11 -1.320 -18.551 -5.753 1.00 0.00 N ATOM 234 CA CYS A 11 -1.493 -19.458 -4.634 1.00 0.00 C ATOM 235 C CYS A 11 -1.231 -18.730 -3.285 1.00 0.00 C ATOM 236 O CYS A 11 -1.560 -19.271 -2.230 1.00 0.00 O ATOM 237 CB CYS A 11 -0.486 -20.609 -4.841 1.00 0.00 C ATOM 238 SG CYS A 11 -0.838 -22.015 -5.893 1.00 0.00 S ATOM 0 H CYS A 11 -0.482 -18.761 -6.295 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.515 -19.836 -4.593 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.431 -20.157 -5.220 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.260 -21.008 -3.852 1.00 0.00 H new ATOM 243 N GLU A 12 -0.600 -17.537 -3.311 1.00 0.00 N ATOM 244 CA GLU A 12 -0.107 -16.752 -2.165 1.00 0.00 C ATOM 245 C GLU A 12 0.751 -17.575 -1.197 1.00 0.00 C ATOM 246 O GLU A 12 0.706 -17.448 0.028 1.00 0.00 O ATOM 247 CB GLU A 12 -1.258 -15.961 -1.518 1.00 0.00 C ATOM 248 CG GLU A 12 -1.814 -14.872 -2.451 1.00 0.00 C ATOM 249 CD GLU A 12 -3.025 -14.127 -1.844 1.00 0.00 C ATOM 250 OE1 GLU A 12 -3.949 -13.748 -2.607 1.00 0.00 O ATOM 251 OE2 GLU A 12 -3.074 -13.905 -0.608 1.00 0.00 O1- ATOM 0 H GLU A 12 -0.410 -17.066 -4.196 1.00 0.00 H new ATOM 0 HA GLU A 12 0.596 -16.005 -2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.060 -16.647 -1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.906 -15.501 -0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.025 -14.153 -2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.109 -15.326 -3.397 1.00 0.00 H new ATOM 258 N VAL A 13 1.546 -18.445 -1.820 1.00 0.00 N ATOM 259 CA VAL A 13 2.519 -19.335 -1.208 1.00 0.00 C ATOM 260 C VAL A 13 3.875 -19.126 -1.877 1.00 0.00 C ATOM 261 O VAL A 13 3.967 -19.015 -3.100 1.00 0.00 O ATOM 262 CB VAL A 13 1.983 -20.780 -1.280 1.00 0.00 C ATOM 263 CG1 VAL A 13 2.283 -21.490 -2.602 1.00 0.00 C ATOM 264 CG2 VAL A 13 2.499 -21.615 -0.108 1.00 0.00 C ATOM 0 H VAL A 13 1.522 -18.550 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 13 2.669 -19.116 -0.151 1.00 0.00 H new ATOM 0 HB VAL A 13 0.899 -20.689 -1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.874 -22.500 -2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.828 -20.937 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.362 -21.539 -2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.106 -22.629 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.588 -21.645 -0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.171 -21.167 0.830 1.00 0.00 H new ATOM 274 N GLN A 14 4.931 -19.107 -1.077 1.00 0.00 N ATOM 275 CA GLN A 14 6.325 -19.137 -1.556 1.00 0.00 C ATOM 276 C GLN A 14 6.850 -20.587 -1.786 1.00 0.00 C ATOM 277 O GLN A 14 8.042 -20.797 -2.002 1.00 0.00 O ATOM 278 CB GLN A 14 7.237 -18.353 -0.600 1.00 0.00 C ATOM 279 CG GLN A 14 7.081 -16.822 -0.590 1.00 0.00 C ATOM 280 CD GLN A 14 5.663 -16.337 -0.293 1.00 0.00 C ATOM 281 OE1 GLN A 14 5.233 -16.249 0.851 1.00 0.00 O ATOM 282 NE2 GLN A 14 4.874 -16.009 -1.295 1.00 0.00 N ATOM 0 H GLN A 14 4.854 -19.070 -0.061 1.00 0.00 H new ATOM 0 HA GLN A 14 6.344 -18.650 -2.531 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.063 -18.719 0.412 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.272 -18.587 -0.850 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.759 -16.404 0.154 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.391 -16.430 -1.559 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.214 -16.075 -2.254 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.923 -15.688 -1.112 1.00 0.00 H new ATOM 291 N GLU A 15 5.971 -21.596 -1.695 1.00 0.00 N ATOM 292 CA GLU A 15 6.250 -23.024 -1.887 1.00 0.00 C ATOM 293 C GLU A 15 6.759 -23.285 -3.300 1.00 0.00 C ATOM 294 O GLU A 15 6.398 -22.575 -4.234 1.00 0.00 O ATOM 295 CB GLU A 15 5.011 -23.880 -1.553 1.00 0.00 C ATOM 296 CG GLU A 15 5.191 -25.402 -1.636 1.00 0.00 C ATOM 297 CD GLU A 15 6.291 -25.912 -0.688 1.00 0.00 C ATOM 298 OE1 GLU A 15 5.976 -26.276 0.470 1.00 0.00 O ATOM 299 OE2 GLU A 15 7.472 -25.947 -1.106 1.00 0.00 O1- ATOM 0 H GLU A 15 4.990 -21.426 -1.473 1.00 0.00 H new ATOM 0 HA GLU A 15 7.038 -23.319 -1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.684 -23.629 -0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.205 -23.594 -2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.248 -25.891 -1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.439 -25.681 -2.660 1.00 0.00 H new ATOM 306 N GLU A 16 7.603 -24.292 -3.467 1.00 0.00 N ATOM 307 CA GLU A 16 8.072 -24.771 -4.731 1.00 0.00 C ATOM 308 C GLU A 16 7.502 -26.141 -5.093 1.00 0.00 C ATOM 309 O GLU A 16 7.703 -27.178 -4.457 1.00 0.00 O ATOM 310 CB GLU A 16 9.573 -24.771 -4.922 1.00 0.00 C ATOM 311 CG GLU A 16 10.353 -23.751 -4.090 1.00 0.00 C ATOM 312 CD GLU A 16 10.976 -24.326 -2.800 1.00 0.00 C ATOM 313 OE1 GLU A 16 10.936 -23.640 -1.749 1.00 0.00 O ATOM 314 OE2 GLU A 16 11.519 -25.457 -2.818 1.00 0.00 O1- ATOM 0 H GLU A 16 7.990 -24.813 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 16 7.685 -24.023 -5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.950 -25.767 -4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.786 -24.590 -5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.147 -23.328 -4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.686 -22.931 -3.823 1.00 0.00 H new ATOM 321 N ASN A 17 6.806 -26.059 -6.194 1.00 0.00 N ATOM 322 CA ASN A 17 6.310 -27.160 -7.012 1.00 0.00 C ATOM 323 C ASN A 17 7.495 -27.770 -7.799 1.00 0.00 C ATOM 324 O ASN A 17 8.601 -27.228 -7.823 1.00 0.00 O ATOM 325 CB ASN A 17 5.212 -26.701 -8.000 1.00 0.00 C ATOM 326 CG ASN A 17 3.806 -26.559 -7.433 1.00 0.00 C ATOM 327 OD1 ASN A 17 3.570 -26.531 -6.235 1.00 0.00 O ATOM 328 ND2 ASN A 17 2.825 -26.470 -8.311 1.00 0.00 N ATOM 0 H ASN A 17 6.544 -25.153 -6.583 1.00 0.00 H new ATOM 0 HA ASN A 17 5.863 -27.902 -6.350 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.510 -25.740 -8.419 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.177 -27.412 -8.826 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.861 -26.377 -7.991 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.031 -26.494 -9.310 1.00 0.00 H new ATOM 335 N ASP A 18 7.223 -28.837 -8.553 1.00 0.00 N ATOM 336 CA ASP A 18 8.169 -29.473 -9.484 1.00 0.00 C ATOM 337 C ASP A 18 8.712 -28.504 -10.556 1.00 0.00 C ATOM 338 O ASP A 18 9.871 -28.613 -10.955 1.00 0.00 O ATOM 339 CB ASP A 18 7.444 -30.614 -10.209 1.00 0.00 C ATOM 340 CG ASP A 18 7.027 -31.807 -9.330 1.00 0.00 C ATOM 341 OD1 ASP A 18 6.152 -32.589 -9.772 1.00 0.00 O ATOM 342 OD2 ASP A 18 7.549 -32.002 -8.209 1.00 0.00 O1- ATOM 0 H ASP A 18 6.314 -29.299 -8.535 1.00 0.00 H new ATOM 0 HA ASP A 18 9.015 -29.823 -8.892 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.551 -30.208 -10.685 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.091 -30.982 -11.006 1.00 0.00 H new ATOM 347 N PHE A 19 7.880 -27.553 -11.004 1.00 0.00 N ATOM 348 CA PHE A 19 8.212 -26.509 -11.974 1.00 0.00 C ATOM 349 C PHE A 19 7.934 -25.080 -11.469 1.00 0.00 C ATOM 350 O PHE A 19 6.844 -24.812 -10.962 1.00 0.00 O ATOM 351 CB PHE A 19 7.454 -26.777 -13.297 1.00 0.00 C ATOM 352 CG PHE A 19 7.734 -25.774 -14.373 1.00 0.00 C ATOM 353 CD1 PHE A 19 6.666 -25.151 -15.035 1.00 0.00 C ATOM 354 CD2 PHE A 19 9.066 -25.479 -14.713 1.00 0.00 C ATOM 355 CE1 PHE A 19 6.939 -24.244 -16.064 1.00 0.00 C ATOM 356 CE2 PHE A 19 9.333 -24.551 -15.721 1.00 0.00 C ATOM 357 CZ PHE A 19 8.266 -23.963 -16.408 1.00 0.00 C ATOM 0 H PHE A 19 6.914 -27.491 -10.683 1.00 0.00 H new ATOM 0 HA PHE A 19 9.289 -26.558 -12.137 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.720 -27.769 -13.661 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.383 -26.788 -13.094 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.646 -25.369 -14.754 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.879 -25.968 -14.197 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.129 -23.762 -16.591 1.00 0.00 H new ATOM 0 HE2 PHE A 19 10.352 -24.290 -15.968 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.470 -23.279 -17.219 1.00 0.00 H new ATOM 367 N MET A 20 8.874 -24.140 -11.679 1.00 0.00 N ATOM 368 CA MET A 20 8.698 -22.692 -11.462 1.00 0.00 C ATOM 369 C MET A 20 9.306 -21.842 -12.591 1.00 0.00 C ATOM 370 O MET A 20 10.285 -22.257 -13.214 1.00 0.00 O ATOM 371 CB MET A 20 9.242 -22.218 -10.099 1.00 0.00 C ATOM 372 CG MET A 20 8.874 -23.154 -8.960 1.00 0.00 C ATOM 373 SD MET A 20 9.096 -22.400 -7.339 1.00 0.00 S ATOM 374 CE MET A 20 7.583 -21.453 -7.216 1.00 0.00 C ATOM 0 H MET A 20 9.808 -24.375 -12.015 1.00 0.00 H new ATOM 0 HA MET A 20 7.619 -22.540 -11.465 1.00 0.00 H new ATOM 0 HB2 MET A 20 10.327 -22.132 -10.156 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.854 -21.222 -9.885 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.835 -23.465 -9.072 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.485 -24.055 -9.024 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.185 -21.532 -6.204 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.789 -20.407 -7.444 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.852 -21.842 -7.925 1.00 0.00 H new ATOM 384 N ILE A 21 8.756 -20.644 -12.815 1.00 0.00 N ATOM 385 CA ILE A 21 9.187 -19.665 -13.848 1.00 0.00 C ATOM 386 C ILE A 21 9.346 -18.301 -13.204 1.00 0.00 C ATOM 387 O ILE A 21 8.694 -18.058 -12.197 1.00 0.00 O ATOM 388 CB ILE A 21 8.190 -19.510 -15.031 1.00 0.00 C ATOM 389 CG1 ILE A 21 7.675 -20.860 -15.514 1.00 0.00 C ATOM 390 CG2 ILE A 21 8.656 -18.820 -16.353 1.00 0.00 C ATOM 391 CD1 ILE A 21 6.238 -20.681 -15.900 1.00 0.00 C ATOM 0 H ILE A 21 7.966 -20.306 -12.266 1.00 0.00 H new ATOM 0 HA ILE A 21 10.122 -20.051 -14.254 1.00 0.00 H new ATOM 0 HB ILE A 21 7.466 -18.855 -14.547 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.260 -21.212 -16.364 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.771 -21.610 -14.729 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.830 -18.801 -17.064 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.974 -17.800 -16.138 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.490 -19.377 -16.780 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.835 -21.631 -16.252 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.668 -20.343 -15.034 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.164 -19.939 -16.695 1.00 0.00 H new ATOM 403 N GLN A 22 10.130 -17.407 -13.800 1.00 0.00 N ATOM 404 CA GLN A 22 10.338 -16.042 -13.304 1.00 0.00 C ATOM 405 C GLN A 22 9.675 -15.014 -14.221 1.00 0.00 C ATOM 406 O GLN A 22 9.860 -15.058 -15.436 1.00 0.00 O ATOM 407 CB GLN A 22 11.853 -15.778 -13.187 1.00 0.00 C ATOM 408 CG GLN A 22 12.206 -14.296 -12.980 1.00 0.00 C ATOM 409 CD GLN A 22 13.625 -14.070 -12.469 1.00 0.00 C ATOM 410 OE1 GLN A 22 14.587 -14.125 -13.213 1.00 0.00 O ATOM 411 NE2 GLN A 22 13.851 -13.796 -11.204 1.00 0.00 N ATOM 0 H GLN A 22 10.648 -17.610 -14.655 1.00 0.00 H new ATOM 0 HA GLN A 22 9.875 -15.943 -12.322 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.251 -16.357 -12.354 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.347 -16.138 -14.090 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.081 -13.766 -13.924 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.501 -13.859 -12.273 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.073 -13.741 -10.547 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.805 -13.639 -10.879 1.00 0.00 H new ATOM 420 N CYS A 23 8.991 -14.031 -13.634 1.00 0.00 N ATOM 421 CA CYS A 23 8.449 -12.878 -14.339 1.00 0.00 C ATOM 422 C CYS A 23 9.569 -12.019 -14.895 1.00 0.00 C ATOM 423 O CYS A 23 10.476 -11.627 -14.166 1.00 0.00 O ATOM 424 CB CYS A 23 7.620 -12.053 -13.355 1.00 0.00 C ATOM 425 SG CYS A 23 6.881 -10.552 -14.056 1.00 0.00 S ATOM 0 H CYS A 23 8.796 -14.018 -12.633 1.00 0.00 H new ATOM 0 HA CYS A 23 7.830 -13.220 -15.168 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.824 -12.681 -12.956 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.254 -11.771 -12.515 1.00 0.00 H new ATOM 430 N GLU A 24 9.461 -11.642 -16.160 1.00 0.00 N ATOM 431 CA GLU A 24 10.461 -10.783 -16.802 1.00 0.00 C ATOM 432 C GLU A 24 10.413 -9.321 -16.301 1.00 0.00 C ATOM 433 O GLU A 24 11.387 -8.586 -16.450 1.00 0.00 O ATOM 434 CB GLU A 24 10.286 -10.899 -18.325 1.00 0.00 C ATOM 435 CG GLU A 24 8.948 -10.268 -18.782 1.00 0.00 C ATOM 436 CD GLU A 24 9.037 -8.825 -19.340 1.00 0.00 C ATOM 437 OE1 GLU A 24 10.123 -8.379 -19.789 1.00 0.00 O ATOM 438 OE2 GLU A 24 7.993 -8.132 -19.338 1.00 0.00 O1- ATOM 0 H GLU A 24 8.690 -11.915 -16.769 1.00 0.00 H new ATOM 0 HA GLU A 24 11.458 -11.126 -16.526 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.116 -10.403 -18.828 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.316 -11.948 -18.619 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.510 -10.907 -19.549 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.261 -10.268 -17.936 1.00 0.00 H new ATOM 445 N GLU A 25 9.300 -8.897 -15.684 1.00 0.00 N ATOM 446 CA GLU A 25 9.082 -7.494 -15.281 1.00 0.00 C ATOM 447 C GLU A 25 9.540 -7.189 -13.859 1.00 0.00 C ATOM 448 O GLU A 25 10.340 -6.279 -13.647 1.00 0.00 O ATOM 449 CB GLU A 25 7.600 -7.155 -15.452 1.00 0.00 C ATOM 450 CG GLU A 25 7.138 -5.708 -15.202 1.00 0.00 C ATOM 451 CD GLU A 25 8.071 -4.605 -15.751 1.00 0.00 C ATOM 452 OE1 GLU A 25 8.576 -4.723 -16.893 1.00 0.00 O ATOM 453 OE2 GLU A 25 8.301 -3.597 -15.037 1.00 0.00 O1- ATOM 0 H GLU A 25 8.524 -9.515 -15.449 1.00 0.00 H new ATOM 0 HA GLU A 25 9.697 -6.869 -15.928 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.316 -7.421 -16.470 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.034 -7.803 -14.783 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.151 -5.579 -15.647 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.025 -5.562 -14.128 1.00 0.00 H new ATOM 460 N CYS A 26 9.074 -7.998 -12.901 1.00 0.00 N ATOM 461 CA CYS A 26 9.373 -7.824 -11.486 1.00 0.00 C ATOM 462 C CYS A 26 10.214 -8.932 -10.836 1.00 0.00 C ATOM 463 O CYS A 26 10.405 -8.937 -9.620 1.00 0.00 O ATOM 464 CB CYS A 26 8.086 -7.653 -10.705 1.00 0.00 C ATOM 465 SG CYS A 26 7.023 -9.083 -10.468 1.00 0.00 S ATOM 0 H CYS A 26 8.473 -8.799 -13.094 1.00 0.00 H new ATOM 0 HA CYS A 26 9.995 -6.930 -11.446 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.346 -7.268 -9.719 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.497 -6.883 -11.203 1.00 0.00 H new ATOM 470 N GLN A 27 10.683 -9.898 -11.632 1.00 0.00 N ATOM 471 CA GLN A 27 11.522 -11.031 -11.223 1.00 0.00 C ATOM 472 C GLN A 27 10.864 -12.107 -10.348 1.00 0.00 C ATOM 473 O GLN A 27 11.535 -13.043 -9.908 1.00 0.00 O ATOM 474 CB GLN A 27 12.823 -10.544 -10.562 1.00 0.00 C ATOM 475 CG GLN A 27 14.142 -10.731 -11.340 1.00 0.00 C ATOM 476 CD GLN A 27 14.685 -9.388 -11.826 1.00 0.00 C ATOM 477 OE1 GLN A 27 15.516 -8.763 -11.184 1.00 0.00 O ATOM 478 NE2 GLN A 27 14.236 -8.889 -12.965 1.00 0.00 N ATOM 0 H GLN A 27 10.478 -9.912 -12.631 1.00 0.00 H new ATOM 0 HA GLN A 27 11.724 -11.538 -12.167 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.711 -9.482 -10.345 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.924 -11.056 -9.605 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.880 -11.216 -10.701 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.976 -11.390 -12.192 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.542 -9.403 -13.509 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.583 -7.990 -13.300 1.00 0.00 H new ATOM 487 N CYS A 28 9.574 -12.015 -10.064 1.00 0.00 N ATOM 488 CA CYS A 28 8.974 -12.955 -9.129 1.00 0.00 C ATOM 489 C CYS A 28 8.786 -14.336 -9.746 1.00 0.00 C ATOM 490 O CYS A 28 8.553 -14.448 -10.942 1.00 0.00 O ATOM 491 CB CYS A 28 7.666 -12.376 -8.618 1.00 0.00 C ATOM 492 SG CYS A 28 6.525 -12.061 -9.979 1.00 0.00 S ATOM 0 H CYS A 28 8.937 -11.320 -10.454 1.00 0.00 H new ATOM 0 HA CYS A 28 9.652 -13.098 -8.287 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.210 -13.067 -7.909 1.00 0.00 H new ATOM 0 HB3 CYS A 28 7.860 -11.449 -8.079 1.00 0.00 H new ATOM 0 HG CYS A 28 6.523 -10.791 -10.259 1.00 0.00 H new ATOM 498 N TRP A 29 8.842 -15.381 -8.932 1.00 0.00 N ATOM 499 CA TRP A 29 8.761 -16.772 -9.346 1.00 0.00 C ATOM 500 C TRP A 29 7.398 -17.407 -9.089 1.00 0.00 C ATOM 501 O TRP A 29 6.764 -17.109 -8.081 1.00 0.00 O ATOM 502 CB TRP A 29 9.901 -17.516 -8.661 1.00 0.00 C ATOM 503 CG TRP A 29 11.261 -17.341 -9.255 1.00 0.00 C ATOM 504 CD1 TRP A 29 12.121 -16.334 -8.986 1.00 0.00 C ATOM 505 CD2 TRP A 29 11.941 -18.190 -10.223 1.00 0.00 C ATOM 506 NE1 TRP A 29 13.289 -16.504 -9.707 1.00 0.00 N ATOM 507 CE2 TRP A 29 13.236 -17.655 -10.457 1.00 0.00 C ATOM 508 CE3 TRP A 29 11.597 -19.358 -10.926 1.00 0.00 C ATOM 509 CZ2 TRP A 29 14.151 -18.271 -11.307 1.00 0.00 C ATOM 510 CZ3 TRP A 29 12.515 -19.968 -11.808 1.00 0.00 C ATOM 511 CH2 TRP A 29 13.797 -19.436 -11.991 1.00 0.00 C ATOM 0 H TRP A 29 8.950 -15.277 -7.923 1.00 0.00 H new ATOM 0 HA TRP A 29 8.869 -16.835 -10.429 1.00 0.00 H new ATOM 0 HB2 TRP A 29 9.940 -17.197 -7.619 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.663 -18.580 -8.660 1.00 0.00 H new ATOM 0 HD1 TRP A 29 11.925 -15.517 -8.308 1.00 0.00 H new ATOM 0 HE1 TRP A 29 14.082 -15.863 -9.685 1.00 0.00 H new ATOM 0 HE3 TRP A 29 10.618 -19.794 -10.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 15.136 -17.847 -11.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 12.225 -20.857 -12.349 1.00 0.00 H new ATOM 0 HH2 TRP A 29 14.502 -19.919 -12.651 1.00 0.00 H new ATOM 522 N GLN A 30 6.915 -18.289 -9.968 1.00 0.00 N ATOM 523 CA GLN A 30 5.590 -18.898 -9.828 1.00 0.00 C ATOM 524 C GLN A 30 5.616 -20.324 -10.278 1.00 0.00 C ATOM 525 O GLN A 30 6.464 -20.689 -11.079 1.00 0.00 O ATOM 526 CB GLN A 30 4.541 -18.219 -10.722 1.00 0.00 C ATOM 527 CG GLN A 30 4.312 -16.776 -10.367 1.00 0.00 C ATOM 528 CD GLN A 30 5.422 -15.879 -10.849 1.00 0.00 C ATOM 529 OE1 GLN A 30 6.016 -16.046 -11.896 1.00 0.00 O ATOM 530 NE2 GLN A 30 5.753 -14.886 -10.095 1.00 0.00 N ATOM 0 H GLN A 30 7.429 -18.600 -10.793 1.00 0.00 H new ATOM 0 HA GLN A 30 5.332 -18.795 -8.774 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.860 -18.285 -11.762 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.599 -18.761 -10.643 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.368 -16.444 -10.799 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.218 -16.682 -9.285 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.265 -14.731 -9.213 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.503 -14.256 -10.381 1.00 0.00 H new ATOM 539 N HIS A 31 4.632 -21.104 -9.847 1.00 0.00 N ATOM 540 CA HIS A 31 4.429 -22.429 -10.410 1.00 0.00 C ATOM 541 C HIS A 31 3.881 -22.232 -11.803 1.00 0.00 C ATOM 542 O HIS A 31 2.794 -21.678 -11.961 1.00 0.00 O ATOM 543 CB HIS A 31 3.410 -23.233 -9.592 1.00 0.00 C ATOM 544 CG HIS A 31 3.567 -23.091 -8.101 1.00 0.00 C ATOM 545 ND1 HIS A 31 2.626 -22.686 -7.148 1.00 0.00 N ATOM 546 CD2 HIS A 31 4.735 -23.329 -7.457 1.00 0.00 C ATOM 547 CE1 HIS A 31 3.239 -22.679 -5.950 1.00 0.00 C ATOM 548 NE2 HIS A 31 4.514 -23.064 -6.121 1.00 0.00 N ATOM 0 H HIS A 31 3.969 -20.844 -9.117 1.00 0.00 H new ATOM 0 HA HIS A 31 5.370 -22.978 -10.408 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.405 -22.917 -9.872 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.498 -24.287 -9.857 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.660 -23.662 -7.903 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.782 -22.409 -5.009 1.00 0.00 H new ATOM 0 HE2 HIS A 31 5.210 -23.147 -5.380 1.00 0.00 H new ATOM 556 N GLY A 32 4.588 -22.687 -12.827 1.00 0.00 N ATOM 557 CA GLY A 32 4.099 -22.442 -14.181 1.00 0.00 C ATOM 558 C GLY A 32 2.704 -22.987 -14.446 1.00 0.00 C ATOM 559 O GLY A 32 1.882 -22.327 -15.074 1.00 0.00 O ATOM 0 H GLY A 32 5.464 -23.205 -12.758 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.099 -21.368 -14.367 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.793 -22.889 -14.893 1.00 0.00 H new ATOM 563 N VAL A 33 2.389 -24.140 -13.861 1.00 0.00 N ATOM 564 CA VAL A 33 1.097 -24.823 -14.072 1.00 0.00 C ATOM 565 C VAL A 33 -0.089 -24.033 -13.470 1.00 0.00 C ATOM 566 O VAL A 33 -1.235 -24.209 -13.878 1.00 0.00 O ATOM 567 CB VAL A 33 1.226 -26.269 -13.573 1.00 0.00 C ATOM 568 CG1 VAL A 33 1.345 -26.349 -12.043 1.00 0.00 C ATOM 569 CG2 VAL A 33 0.073 -27.163 -14.026 1.00 0.00 C ATOM 0 H VAL A 33 3.016 -24.634 -13.226 1.00 0.00 H new ATOM 0 HA VAL A 33 0.858 -24.862 -15.135 1.00 0.00 H new ATOM 0 HB VAL A 33 2.147 -26.637 -14.025 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.434 -27.392 -11.739 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.228 -25.800 -11.718 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.457 -25.912 -11.586 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.222 -28.172 -13.641 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.867 -26.765 -13.645 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.041 -27.191 -15.115 1.00 0.00 H new ATOM 579 N CYS A 34 0.193 -23.093 -12.555 1.00 0.00 N ATOM 580 CA CYS A 34 -0.754 -22.108 -12.005 1.00 0.00 C ATOM 581 C CYS A 34 -0.968 -20.903 -12.940 1.00 0.00 C ATOM 582 O CYS A 34 -2.022 -20.270 -12.941 1.00 0.00 O ATOM 583 CB CYS A 34 -0.193 -21.626 -10.676 1.00 0.00 C ATOM 584 SG CYS A 34 -0.167 -22.937 -9.440 1.00 0.00 S ATOM 0 H CYS A 34 1.128 -22.993 -12.160 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.726 -22.587 -11.886 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.818 -21.248 -10.825 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.794 -20.794 -10.309 1.00 0.00 H new ATOM 589 N MET A 35 0.071 -20.582 -13.713 1.00 0.00 N ATOM 590 CA MET A 35 0.173 -19.443 -14.630 1.00 0.00 C ATOM 591 C MET A 35 -0.188 -19.805 -16.091 1.00 0.00 C ATOM 592 O MET A 35 -0.284 -18.917 -16.938 1.00 0.00 O ATOM 593 CB MET A 35 1.611 -18.915 -14.531 1.00 0.00 C ATOM 594 CG MET A 35 2.017 -18.389 -13.146 1.00 0.00 C ATOM 595 SD MET A 35 1.400 -16.713 -12.820 1.00 0.00 S ATOM 596 CE MET A 35 -0.112 -17.037 -11.900 1.00 0.00 C ATOM 0 H MET A 35 0.920 -21.147 -13.716 1.00 0.00 H new ATOM 0 HA MET A 35 -0.551 -18.681 -14.340 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.296 -19.715 -14.814 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.738 -18.114 -15.259 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.638 -19.066 -12.380 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.104 -18.393 -13.065 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.844 -16.258 -12.116 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.516 -18.006 -12.193 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.106 -17.043 -10.832 1.00 0.00 H new ATOM 606 N GLY A 36 -0.393 -21.095 -16.401 1.00 0.00 N ATOM 607 CA GLY A 36 -0.676 -21.622 -17.742 1.00 0.00 C ATOM 608 C GLY A 36 0.559 -21.830 -18.610 1.00 0.00 C ATOM 609 O GLY A 36 0.471 -21.764 -19.837 1.00 0.00 O ATOM 0 H GLY A 36 -0.364 -21.829 -15.693 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.200 -22.573 -17.642 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.353 -20.937 -18.253 1.00 0.00 H new ATOM 613 N LEU A 37 1.709 -22.067 -17.968 1.00 0.00 N ATOM 614 CA LEU A 37 2.984 -22.315 -18.634 1.00 0.00 C ATOM 615 C LEU A 37 3.648 -23.583 -18.066 1.00 0.00 C ATOM 616 O LEU A 37 3.478 -23.951 -16.913 1.00 0.00 O ATOM 617 CB LEU A 37 3.929 -21.093 -18.526 1.00 0.00 C ATOM 618 CG LEU A 37 3.321 -19.673 -18.458 1.00 0.00 C ATOM 619 CD1 LEU A 37 3.795 -18.847 -17.263 1.00 0.00 C ATOM 620 CD2 LEU A 37 3.795 -18.891 -19.660 1.00 0.00 C ATOM 0 H LEU A 37 1.776 -22.091 -16.950 1.00 0.00 H new ATOM 0 HA LEU A 37 2.785 -22.476 -19.694 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.542 -21.230 -17.635 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.601 -21.121 -19.384 1.00 0.00 H new ATOM 0 HG LEU A 37 2.243 -19.821 -18.397 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.322 -17.865 -17.289 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.524 -19.356 -16.338 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.878 -18.730 -17.308 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.375 -17.886 -19.629 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.883 -18.831 -19.649 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.469 -19.392 -20.572 1.00 0.00 H new ATOM 632 N LEU A 38 4.430 -24.259 -18.886 1.00 0.00 N ATOM 633 CA LEU A 38 5.198 -25.463 -18.637 1.00 0.00 C ATOM 634 C LEU A 38 6.619 -25.217 -19.129 1.00 0.00 C ATOM 635 O LEU A 38 6.820 -24.318 -19.940 1.00 0.00 O ATOM 636 CB LEU A 38 4.526 -26.574 -19.447 1.00 0.00 C ATOM 637 CG LEU A 38 3.654 -27.552 -18.656 1.00 0.00 C ATOM 638 CD1 LEU A 38 4.600 -28.579 -18.047 1.00 0.00 C ATOM 639 CD2 LEU A 38 2.743 -26.929 -17.600 1.00 0.00 C ATOM 0 H LEU A 38 4.556 -23.943 -19.847 1.00 0.00 H new ATOM 0 HA LEU A 38 5.235 -25.737 -17.583 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.910 -26.111 -20.218 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.302 -27.143 -19.958 1.00 0.00 H new ATOM 0 HG LEU A 38 2.939 -28.000 -19.346 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.027 -29.304 -17.469 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.139 -29.094 -18.842 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.312 -28.075 -17.393 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.173 -27.714 -17.103 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.348 -26.399 -16.865 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.057 -26.229 -18.078 1.00 0.00 H new ATOM 651 N GLU A 39 7.572 -26.072 -18.770 1.00 0.00 N ATOM 652 CA GLU A 39 8.918 -26.039 -19.351 1.00 0.00 C ATOM 653 C GLU A 39 8.919 -26.166 -20.888 1.00 0.00 C ATOM 654 O GLU A 39 9.825 -25.637 -21.537 1.00 0.00 O ATOM 655 CB GLU A 39 9.809 -27.113 -18.695 1.00 0.00 C ATOM 656 CG GLU A 39 9.237 -28.537 -18.576 1.00 0.00 C ATOM 657 CD GLU A 39 9.012 -29.256 -19.920 1.00 0.00 C ATOM 658 OE1 GLU A 39 9.970 -29.354 -20.725 1.00 0.00 O ATOM 659 OE2 GLU A 39 7.878 -29.732 -20.168 1.00 0.00 O1- ATOM 0 H GLU A 39 7.438 -26.804 -18.073 1.00 0.00 H new ATOM 0 HA GLU A 39 9.335 -25.055 -19.136 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.738 -27.170 -19.261 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.067 -26.770 -17.693 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.915 -29.136 -17.968 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.288 -28.489 -18.042 1.00 0.00 H new ATOM 666 N GLU A 40 7.885 -26.778 -21.479 1.00 0.00 N ATOM 667 CA GLU A 40 7.710 -26.772 -22.945 1.00 0.00 C ATOM 668 C GLU A 40 7.391 -25.379 -23.516 1.00 0.00 C ATOM 669 O GLU A 40 7.874 -25.035 -24.598 1.00 0.00 O ATOM 670 CB GLU A 40 6.647 -27.771 -23.446 1.00 0.00 C ATOM 671 CG GLU A 40 5.294 -27.753 -22.724 1.00 0.00 C ATOM 672 CD GLU A 40 4.135 -28.389 -23.528 1.00 0.00 C ATOM 673 OE1 GLU A 40 4.365 -29.052 -24.570 1.00 0.00 O ATOM 674 OE2 GLU A 40 2.963 -28.230 -23.105 1.00 0.00 O1- ATOM 0 H GLU A 40 7.158 -27.282 -20.972 1.00 0.00 H new ATOM 0 HA GLU A 40 8.684 -27.089 -23.317 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.471 -27.579 -24.504 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.061 -28.776 -23.369 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.395 -28.280 -21.775 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.034 -26.721 -22.489 1.00 0.00 H new ATOM 681 N ASN A 41 6.587 -24.580 -22.807 1.00 0.00 N ATOM 682 CA ASN A 41 6.055 -23.316 -23.327 1.00 0.00 C ATOM 683 C ASN A 41 6.778 -22.044 -22.850 1.00 0.00 C ATOM 684 O ASN A 41 6.339 -20.966 -23.244 1.00 0.00 O ATOM 685 CB ASN A 41 4.559 -23.206 -22.983 1.00 0.00 C ATOM 686 CG ASN A 41 3.608 -24.271 -23.485 1.00 0.00 C ATOM 687 OD1 ASN A 41 3.890 -25.045 -24.389 1.00 0.00 O ATOM 688 ND2 ASN A 41 2.428 -24.324 -22.899 1.00 0.00 N ATOM 0 H ASN A 41 6.286 -24.792 -21.856 1.00 0.00 H new ATOM 0 HA ASN A 41 6.224 -23.360 -24.403 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.473 -23.174 -21.897 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.205 -22.246 -23.359 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.740 -25.015 -23.199 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.203 -23.674 -22.146 1.00 0.00 H new ATOM 695 N VAL A 42 7.842 -22.122 -22.030 1.00 0.00 N ATOM 696 CA VAL A 42 8.446 -20.939 -21.362 1.00 0.00 C ATOM 697 C VAL A 42 8.799 -19.865 -22.399 1.00 0.00 C ATOM 698 O VAL A 42 9.683 -20.082 -23.238 1.00 0.00 O ATOM 699 CB VAL A 42 9.724 -21.288 -20.581 1.00 0.00 C ATOM 700 CG1 VAL A 42 10.445 -20.051 -20.013 1.00 0.00 C ATOM 701 CG2 VAL A 42 9.401 -22.238 -19.449 1.00 0.00 C ATOM 0 H VAL A 42 8.311 -23.000 -21.808 1.00 0.00 H new ATOM 0 HA VAL A 42 7.699 -20.571 -20.658 1.00 0.00 H new ATOM 0 HB VAL A 42 10.400 -21.759 -21.295 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.338 -20.366 -19.474 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.730 -19.389 -20.830 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.778 -19.522 -19.333 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.314 -22.478 -18.904 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.687 -21.769 -18.773 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.969 -23.153 -19.854 1.00 0.00 H new ATOM 711 N PRO A 43 8.110 -18.710 -22.351 1.00 0.00 N ATOM 712 CA PRO A 43 8.371 -17.607 -23.255 1.00 0.00 C ATOM 713 C PRO A 43 9.593 -16.801 -22.821 1.00 0.00 C ATOM 714 O PRO A 43 10.048 -16.846 -21.678 1.00 0.00 O ATOM 715 CB PRO A 43 7.078 -16.784 -23.229 1.00 0.00 C ATOM 716 CG PRO A 43 6.548 -16.980 -21.818 1.00 0.00 C ATOM 717 CD PRO A 43 6.968 -18.410 -21.487 1.00 0.00 C ATOM 0 HA PRO A 43 8.615 -17.939 -24.264 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.270 -15.732 -23.441 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.366 -17.135 -23.976 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.980 -16.261 -21.122 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.466 -16.857 -21.773 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.240 -18.502 -20.436 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.150 -19.108 -21.667 1.00 0.00 H new ATOM 725 N GLU A 44 10.089 -15.980 -23.735 1.00 0.00 N ATOM 726 CA GLU A 44 11.203 -15.068 -23.497 1.00 0.00 C ATOM 727 C GLU A 44 10.752 -13.946 -22.559 1.00 0.00 C ATOM 728 O GLU A 44 11.509 -13.531 -21.680 1.00 0.00 O ATOM 729 CB GLU A 44 11.702 -14.481 -24.829 1.00 0.00 C ATOM 730 CG GLU A 44 12.291 -15.506 -25.812 1.00 0.00 C ATOM 731 CD GLU A 44 11.256 -16.415 -26.518 1.00 0.00 C ATOM 732 OE1 GLU A 44 11.654 -17.501 -27.006 1.00 0.00 O ATOM 733 OE2 GLU A 44 10.051 -16.065 -26.601 1.00 0.00 O1- ATOM 0 H GLU A 44 9.721 -15.927 -24.685 1.00 0.00 H new ATOM 0 HA GLU A 44 12.023 -15.615 -23.032 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.872 -13.968 -25.316 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.461 -13.728 -24.615 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.859 -14.971 -26.573 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.997 -16.138 -25.273 1.00 0.00 H new ATOM 740 N LYS A 45 9.477 -13.550 -22.660 1.00 0.00 N ATOM 741 CA LYS A 45 8.834 -12.584 -21.787 1.00 0.00 C ATOM 742 C LYS A 45 7.466 -13.016 -21.272 1.00 0.00 C ATOM 743 O LYS A 45 6.419 -12.627 -21.787 1.00 0.00 O ATOM 744 CB LYS A 45 8.711 -11.240 -22.498 1.00 0.00 C ATOM 745 CG LYS A 45 10.025 -10.456 -22.665 1.00 0.00 C ATOM 746 CD LYS A 45 9.727 -9.028 -23.156 1.00 0.00 C ATOM 747 CE LYS A 45 10.964 -8.128 -23.301 1.00 0.00 C ATOM 748 NZ LYS A 45 11.724 -7.994 -22.025 1.00 0.00 N1+ ATOM 0 H LYS A 45 8.851 -13.911 -23.380 1.00 0.00 H new ATOM 0 HA LYS A 45 9.477 -12.503 -20.911 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.281 -11.409 -23.485 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.006 -10.619 -21.945 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.559 -10.419 -21.716 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.674 -10.966 -23.376 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.223 -9.088 -24.121 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.031 -8.557 -22.461 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.620 -8.538 -24.070 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.653 -7.140 -23.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.006 -7.002 -21.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.124 -8.294 -21.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.573 -8.593 -22.062 1.00 0.00 H new ATOM 762 N TYR A 46 7.498 -13.828 -20.225 1.00 0.00 N ATOM 763 CA TYR A 46 6.287 -14.113 -19.452 1.00 0.00 C ATOM 764 C TYR A 46 6.115 -12.988 -18.419 1.00 0.00 C ATOM 765 O TYR A 46 7.007 -12.691 -17.618 1.00 0.00 O ATOM 766 CB TYR A 46 6.320 -15.516 -18.802 1.00 0.00 C ATOM 767 CG TYR A 46 5.725 -15.555 -17.424 1.00 0.00 C ATOM 768 CD1 TYR A 46 4.331 -15.562 -17.247 1.00 0.00 C ATOM 769 CD2 TYR A 46 6.593 -15.560 -16.323 1.00 0.00 C ATOM 770 CE1 TYR A 46 3.804 -15.496 -15.944 1.00 0.00 C ATOM 771 CE2 TYR A 46 6.069 -15.544 -15.024 1.00 0.00 C ATOM 772 CZ TYR A 46 4.673 -15.498 -14.844 1.00 0.00 C ATOM 773 OH TYR A 46 4.163 -15.445 -13.599 1.00 0.00 O ATOM 0 H TYR A 46 8.338 -14.299 -19.890 1.00 0.00 H new ATOM 0 HA TYR A 46 5.422 -14.136 -20.115 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.781 -16.216 -19.441 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.353 -15.860 -18.752 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.672 -15.617 -18.101 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.662 -15.576 -16.476 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.736 -15.444 -15.792 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.729 -15.567 -14.169 1.00 0.00 H new ATOM 0 HH TYR A 46 4.864 -15.177 -12.969 1.00 0.00 H new ATOM 783 N THR A 47 4.948 -12.358 -18.457 1.00 0.00 N ATOM 784 CA THR A 47 4.449 -11.411 -17.461 1.00 0.00 C ATOM 785 C THR A 47 3.556 -12.132 -16.456 1.00 0.00 C ATOM 786 O THR A 47 2.721 -12.946 -16.838 1.00 0.00 O ATOM 787 CB THR A 47 3.632 -10.298 -18.125 1.00 0.00 C ATOM 788 OG1 THR A 47 2.875 -10.787 -19.218 1.00 0.00 O ATOM 789 CG2 THR A 47 4.498 -9.137 -18.580 1.00 0.00 C ATOM 0 H THR A 47 4.288 -12.499 -19.222 1.00 0.00 H new ATOM 0 HA THR A 47 5.311 -10.975 -16.956 1.00 0.00 H new ATOM 0 HB THR A 47 2.949 -9.930 -17.360 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.365 -10.052 -19.617 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.871 -8.375 -19.044 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.013 -8.709 -17.720 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.232 -9.492 -19.303 1.00 0.00 H new ATOM 797 N CYS A 48 3.680 -11.779 -15.176 1.00 0.00 N ATOM 798 CA CYS A 48 2.938 -12.401 -14.074 1.00 0.00 C ATOM 799 C CYS A 48 1.673 -11.619 -13.782 1.00 0.00 C ATOM 800 O CYS A 48 1.723 -10.413 -13.879 1.00 0.00 O ATOM 801 CB CYS A 48 3.839 -12.424 -12.813 1.00 0.00 C ATOM 802 SG CYS A 48 3.894 -10.912 -11.782 1.00 0.00 S ATOM 0 H CYS A 48 4.311 -11.039 -14.868 1.00 0.00 H new ATOM 0 HA CYS A 48 2.661 -13.417 -14.354 1.00 0.00 H new ATOM 0 HB2 CYS A 48 3.511 -13.250 -12.181 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.857 -12.651 -13.131 1.00 0.00 H new ATOM 807 N TYR A 49 0.577 -12.227 -13.355 1.00 0.00 N ATOM 808 CA TYR A 49 -0.625 -11.569 -12.840 1.00 0.00 C ATOM 809 C TYR A 49 -0.424 -10.293 -11.977 1.00 0.00 C ATOM 810 O TYR A 49 -1.162 -9.328 -12.144 1.00 0.00 O ATOM 811 CB TYR A 49 -1.378 -12.634 -12.060 1.00 0.00 C ATOM 812 CG TYR A 49 -0.801 -12.933 -10.687 1.00 0.00 C ATOM 813 CD1 TYR A 49 0.443 -13.589 -10.563 1.00 0.00 C ATOM 814 CD2 TYR A 49 -1.503 -12.542 -9.532 1.00 0.00 C ATOM 815 CE1 TYR A 49 0.985 -13.826 -9.290 1.00 0.00 C ATOM 816 CE2 TYR A 49 -0.959 -12.781 -8.254 1.00 0.00 C ATOM 817 CZ TYR A 49 0.298 -13.410 -8.131 1.00 0.00 C ATOM 818 OH TYR A 49 0.849 -13.617 -6.903 1.00 0.00 O ATOM 0 H TYR A 49 0.492 -13.243 -13.356 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.170 -11.175 -13.698 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.414 -12.317 -11.944 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.390 -13.554 -12.644 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.977 -13.908 -11.446 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.463 -12.056 -9.625 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.935 -14.331 -9.198 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.503 -12.483 -7.370 1.00 0.00 H new ATOM 0 HH TYR A 49 0.247 -13.270 -6.212 1.00 0.00 H new ATOM 828 N VAL A 50 0.592 -10.221 -11.109 1.00 0.00 N ATOM 829 CA VAL A 50 0.951 -9.006 -10.348 1.00 0.00 C ATOM 830 C VAL A 50 1.350 -7.833 -11.282 1.00 0.00 C ATOM 831 O VAL A 50 1.094 -6.673 -10.953 1.00 0.00 O ATOM 832 CB VAL A 50 1.999 -9.365 -9.260 1.00 0.00 C ATOM 833 CG1 VAL A 50 3.035 -8.283 -8.973 1.00 0.00 C ATOM 834 CG2 VAL A 50 1.320 -9.761 -7.944 1.00 0.00 C ATOM 0 H VAL A 50 1.201 -11.015 -10.908 1.00 0.00 H new ATOM 0 HA VAL A 50 0.076 -8.628 -9.819 1.00 0.00 H new ATOM 0 HB VAL A 50 2.541 -10.208 -9.688 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.720 -8.631 -8.200 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.595 -8.065 -9.882 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.531 -7.379 -8.631 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.080 -10.007 -7.202 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.715 -8.930 -7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.682 -10.629 -8.111 1.00 0.00 H new ATOM 844 N CYS A 51 1.911 -8.125 -12.464 1.00 0.00 N ATOM 845 CA CYS A 51 2.171 -7.210 -13.573 1.00 0.00 C ATOM 846 C CYS A 51 1.067 -7.243 -14.659 1.00 0.00 C ATOM 847 O CYS A 51 0.434 -6.211 -14.890 1.00 0.00 O ATOM 848 CB CYS A 51 3.553 -7.504 -14.166 1.00 0.00 C ATOM 849 SG CYS A 51 4.915 -7.358 -12.993 1.00 0.00 S ATOM 0 H CYS A 51 2.214 -9.074 -12.680 1.00 0.00 H new ATOM 0 HA CYS A 51 2.157 -6.195 -13.175 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.551 -8.513 -14.577 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.731 -6.821 -14.997 1.00 0.00 H new ATOM 854 N GLN A 52 0.827 -8.383 -15.344 1.00 0.00 N ATOM 855 CA GLN A 52 -0.168 -8.431 -16.424 1.00 0.00 C ATOM 856 C GLN A 52 -1.643 -8.407 -15.973 1.00 0.00 C ATOM 857 O GLN A 52 -2.462 -7.797 -16.668 1.00 0.00 O ATOM 858 CB GLN A 52 0.047 -9.637 -17.342 1.00 0.00 C ATOM 859 CG GLN A 52 0.124 -11.007 -16.681 1.00 0.00 C ATOM 860 CD GLN A 52 -0.585 -12.093 -17.497 1.00 0.00 C ATOM 861 OE1 GLN A 52 -1.792 -12.072 -17.698 1.00 0.00 O ATOM 862 NE2 GLN A 52 0.115 -13.083 -17.999 1.00 0.00 N ATOM 0 H GLN A 52 1.304 -9.267 -15.168 1.00 0.00 H new ATOM 0 HA GLN A 52 0.006 -7.500 -16.963 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.765 -9.657 -18.069 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.970 -9.478 -17.899 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.170 -11.283 -16.546 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.323 -10.953 -15.688 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.123 -13.124 -17.846 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.349 -13.811 -18.542 1.00 0.00 H new ATOM 871 N ASP A 53 -1.966 -9.058 -14.848 1.00 0.00 N ATOM 872 CA ASP A 53 -3.337 -9.287 -14.314 1.00 0.00 C ATOM 873 C ASP A 53 -4.251 -10.104 -15.265 1.00 0.00 C ATOM 874 O ASP A 53 -4.179 -11.354 -15.197 1.00 0.00 O ATOM 875 CB ASP A 53 -3.995 -7.970 -13.810 1.00 0.00 C ATOM 876 CG ASP A 53 -5.447 -8.130 -13.291 1.00 0.00 C ATOM 877 OD1 ASP A 53 -6.223 -7.147 -13.382 1.00 0.00 O ATOM 878 OD2 ASP A 53 -5.822 -9.217 -12.781 1.00 0.00 O1- ATOM 879 OXT ASP A 53 -5.030 -9.521 -16.057 1.00 0.00 O1- ATOM 0 H ASP A 53 -1.249 -9.464 -14.247 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.214 -9.926 -13.440 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.381 -7.556 -13.010 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.992 -7.244 -14.623 1.00 0.00 H new TER 884 ASP A 53 ATOM 885 N ALA C 1 12.290 -15.410 -19.685 1.00 0.00 N ATOM 886 CA ALA C 1 11.698 -15.792 -18.368 1.00 0.00 C ATOM 887 C ALA C 1 12.572 -16.903 -17.739 1.00 0.00 C ATOM 888 O ALA C 1 12.654 -17.985 -18.317 1.00 0.00 O ATOM 889 CB ALA C 1 10.227 -16.264 -18.522 1.00 0.00 C ATOM 0 H1 ALA C 1 11.704 -14.675 -20.129 1.00 0.00 H new ATOM 0 H2 ALA C 1 13.253 -15.044 -19.540 1.00 0.00 H new ATOM 0 H3 ALA C 1 12.327 -16.245 -20.304 1.00 0.00 H new ATOM 0 HA ALA C 1 11.682 -14.920 -17.714 1.00 0.00 H new ATOM 0 HB1 ALA C 1 9.827 -16.534 -17.545 1.00 0.00 H new ATOM 0 HB2 ALA C 1 9.629 -15.458 -18.948 1.00 0.00 H new ATOM 0 HB3 ALA C 1 10.190 -17.131 -19.181 1.00 0.00 H new ATOM 897 N ARG C 2 13.272 -16.660 -16.613 1.00 0.00 N ATOM 898 CA ARG C 2 14.135 -17.671 -15.932 1.00 0.00 C ATOM 899 C ARG C 2 13.306 -18.896 -15.514 1.00 0.00 C ATOM 900 O ARG C 2 12.119 -18.744 -15.232 1.00 0.00 O ATOM 901 CB ARG C 2 14.822 -17.022 -14.706 1.00 0.00 C ATOM 902 CG ARG C 2 16.266 -17.421 -14.386 1.00 0.00 C ATOM 903 CD ARG C 2 16.808 -16.513 -13.262 1.00 0.00 C ATOM 904 NE ARG C 2 17.149 -15.169 -13.767 1.00 0.00 N ATOM 905 CZ ARG C 2 18.295 -14.749 -14.276 1.00 0.00 C ATOM 906 NH1 ARG C 2 19.330 -15.532 -14.401 1.00 0.00 N1+ ATOM 907 NH2 ARG C 2 18.420 -13.519 -14.680 1.00 0.00 N ATOM 0 H ARG C 2 13.261 -15.756 -16.141 1.00 0.00 H new ATOM 0 HA ARG C 2 14.903 -18.012 -16.626 1.00 0.00 H new ATOM 0 HB2 ARG C 2 14.799 -15.941 -14.846 1.00 0.00 H new ATOM 0 HB3 ARG C 2 14.214 -17.243 -13.829 1.00 0.00 H new ATOM 0 HG2 ARG C 2 16.307 -18.466 -14.077 1.00 0.00 H new ATOM 0 HG3 ARG C 2 16.887 -17.327 -15.277 1.00 0.00 H new ATOM 0 HD2 ARG C 2 16.062 -16.427 -12.471 1.00 0.00 H new ATOM 0 HD3 ARG C 2 17.692 -16.971 -12.818 1.00 0.00 H new ATOM 0 HE ARG C 2 16.404 -14.474 -13.717 1.00 0.00 H new ATOM 0 HH11 ARG C 2 19.272 -16.505 -14.101 1.00 0.00 H new ATOM 0 HH12 ARG C 2 20.197 -15.171 -14.799 1.00 0.00 H new ATOM 0 HH21 ARG C 2 17.633 -12.875 -14.605 1.00 0.00 H new ATOM 0 HH22 ARG C 2 19.305 -13.198 -15.072 1.00 0.00 H new ATOM 921 N THR C 3 13.911 -20.078 -15.430 1.00 0.00 N ATOM 922 CA THR C 3 13.218 -21.327 -15.034 1.00 0.00 C ATOM 923 C THR C 3 14.082 -22.297 -14.228 1.00 0.00 C ATOM 924 O THR C 3 15.312 -22.288 -14.333 1.00 0.00 O ATOM 925 CB THR C 3 12.583 -22.062 -16.222 1.00 0.00 C ATOM 926 OG1 THR C 3 13.359 -21.983 -17.407 1.00 0.00 O ATOM 927 CG2 THR C 3 11.199 -21.486 -16.495 1.00 0.00 C ATOM 0 H THR C 3 14.902 -20.210 -15.634 1.00 0.00 H new ATOM 0 HA THR C 3 12.423 -20.979 -14.374 1.00 0.00 H new ATOM 0 HB THR C 3 12.522 -23.114 -15.945 1.00 0.00 H new ATOM 0 HG1 THR C 3 12.907 -22.470 -18.127 1.00 0.00 H new ATOM 0 HG21 THR C 3 10.748 -22.008 -17.339 1.00 0.00 H new ATOM 0 HG22 THR C 3 10.572 -21.612 -15.613 1.00 0.00 H new ATOM 0 HG23 THR C 3 11.286 -20.425 -16.729 1.00 0.00 H new HETATM 935 N MLY C 4 13.410 -23.125 -13.413 1.00 0.00 N HETATM 936 CA MLY C 4 14.018 -24.059 -12.467 1.00 0.00 C HETATM 937 CB MLY C 4 14.271 -23.329 -11.125 1.00 0.00 C HETATM 938 CG MLY C 4 12.971 -23.046 -10.365 1.00 0.00 C HETATM 939 CD MLY C 4 13.126 -21.965 -9.277 1.00 0.00 C HETATM 940 CE MLY C 4 13.509 -22.543 -7.901 1.00 0.00 C HETATM 941 NZ MLY C 4 13.676 -21.483 -6.859 1.00 0.00 N HETATM 942 CH1 MLY C 4 12.386 -20.790 -6.536 1.00 0.00 C HETATM 943 CH2 MLY C 4 14.222 -22.093 -5.614 1.00 0.00 C HETATM 944 C MLY C 4 13.136 -25.301 -12.290 1.00 0.00 C HETATM 945 O MLY C 4 11.927 -25.259 -12.527 1.00 0.00 O HETATM 0 HH23 MLY C 4 13.533 -22.855 -5.250 1.00 0.00 H new HETATM 0 HH22 MLY C 4 15.189 -22.549 -5.826 1.00 0.00 H new HETATM 0 HH21 MLY C 4 14.344 -21.321 -4.854 1.00 0.00 H new HETATM 0 HH13 MLY C 4 11.991 -20.318 -7.436 1.00 0.00 H new HETATM 0 HH12 MLY C 4 11.666 -21.518 -6.163 1.00 0.00 H new HETATM 0 HH11 MLY C 4 12.562 -20.030 -5.775 1.00 0.00 H new HETATM 0 HG3 MLY C 4 12.205 -22.732 -11.074 1.00 0.00 H new HETATM 0 HG2 MLY C 4 12.619 -23.969 -9.904 1.00 0.00 H new HETATM 0 HE3 MLY C 4 12.740 -23.246 -7.579 1.00 0.00 H new HETATM 0 HE2 MLY C 4 14.438 -23.106 -7.993 1.00 0.00 H new HETATM 0 HD3 MLY C 4 13.888 -21.250 -9.589 1.00 0.00 H new HETATM 0 HD2 MLY C 4 12.190 -21.414 -9.185 1.00 0.00 H new HETATM 0 HB3 MLY C 4 14.929 -23.935 -10.502 1.00 0.00 H new HETATM 0 HB2 MLY C 4 14.789 -22.390 -11.317 1.00 0.00 H new HETATM 0 HA MLY C 4 14.976 -24.407 -12.855 1.00 0.00 H new ATOM 963 N GLN C 5 13.754 -26.392 -11.829 1.00 0.00 N ATOM 964 CA GLN C 5 13.096 -27.665 -11.510 1.00 0.00 C ATOM 965 C GLN C 5 13.696 -28.286 -10.236 1.00 0.00 C ATOM 966 O GLN C 5 14.903 -28.180 -9.992 1.00 0.00 O ATOM 967 CB GLN C 5 13.227 -28.661 -12.675 1.00 0.00 C ATOM 968 CG GLN C 5 12.547 -28.217 -13.981 1.00 0.00 C ATOM 969 CD GLN C 5 12.785 -29.182 -15.148 1.00 0.00 C ATOM 970 OE1 GLN C 5 13.254 -30.304 -15.007 1.00 0.00 O ATOM 971 NE2 GLN C 5 12.463 -28.777 -16.359 1.00 0.00 N ATOM 0 H GLN C 5 14.760 -26.416 -11.662 1.00 0.00 H new ATOM 0 HA GLN C 5 12.040 -27.455 -11.342 1.00 0.00 H new ATOM 0 HB2 GLN C 5 14.285 -28.831 -12.872 1.00 0.00 H new ATOM 0 HB3 GLN C 5 12.803 -29.617 -12.367 1.00 0.00 H new ATOM 0 HG2 GLN C 5 11.475 -28.122 -13.810 1.00 0.00 H new ATOM 0 HG3 GLN C 5 12.914 -27.228 -14.256 1.00 0.00 H new ATOM 0 HE21 GLN C 5 12.071 -27.846 -16.498 1.00 0.00 H new ATOM 0 HE22 GLN C 5 12.606 -29.395 -17.158 1.00 0.00 H new ATOM 980 N THR C 6 12.872 -28.955 -9.427 1.00 0.00 N ATOM 981 CA THR C 6 13.320 -29.664 -8.210 1.00 0.00 C ATOM 982 C THR C 6 13.944 -31.030 -8.526 1.00 0.00 C ATOM 983 O THR C 6 13.737 -31.610 -9.597 1.00 0.00 O ATOM 984 CB THR C 6 12.173 -29.842 -7.199 1.00 0.00 C ATOM 985 OG1 THR C 6 11.177 -30.678 -7.741 1.00 0.00 O ATOM 986 CG2 THR C 6 11.549 -28.512 -6.783 1.00 0.00 C ATOM 0 H THR C 6 11.868 -29.025 -9.592 1.00 0.00 H new ATOM 0 HA THR C 6 14.089 -29.034 -7.764 1.00 0.00 H new ATOM 0 HB THR C 6 12.603 -30.298 -6.307 1.00 0.00 H new ATOM 0 HG1 THR C 6 10.452 -30.787 -7.091 1.00 0.00 H new ATOM 0 HG21 THR C 6 10.746 -28.694 -6.069 1.00 0.00 H new ATOM 0 HG22 THR C 6 12.309 -27.882 -6.320 1.00 0.00 H new ATOM 0 HG23 THR C 6 11.146 -28.008 -7.662 1.00 0.00 H new ATOM 994 N ALA C 7 14.682 -31.591 -7.558 1.00 0.00 N ATOM 995 CA ALA C 7 15.318 -32.912 -7.667 1.00 0.00 C ATOM 996 C ALA C 7 14.319 -34.097 -7.732 1.00 0.00 C ATOM 997 O ALA C 7 14.721 -35.221 -8.041 1.00 0.00 O ATOM 998 CB ALA C 7 16.289 -33.061 -6.487 1.00 0.00 C ATOM 0 H ALA C 7 14.857 -31.133 -6.664 1.00 0.00 H new ATOM 0 HA ALA C 7 15.846 -32.957 -8.619 1.00 0.00 H new ATOM 0 HB1 ALA C 7 16.778 -34.034 -6.539 1.00 0.00 H new ATOM 0 HB2 ALA C 7 17.041 -32.273 -6.533 1.00 0.00 H new ATOM 0 HB3 ALA C 7 15.738 -32.982 -5.550 1.00 0.00 H new ATOM 1004 N ARG C 8 13.024 -33.863 -7.456 1.00 0.00 N ATOM 1005 CA ARG C 8 11.958 -34.885 -7.512 1.00 0.00 C ATOM 1006 C ARG C 8 11.694 -35.392 -8.941 1.00 0.00 C ATOM 1007 O ARG C 8 11.340 -36.559 -9.123 1.00 0.00 O ATOM 1008 CB ARG C 8 10.674 -34.298 -6.892 1.00 0.00 C ATOM 1009 CG ARG C 8 9.739 -35.389 -6.344 1.00 0.00 C ATOM 1010 CD ARG C 8 8.395 -34.813 -5.874 1.00 0.00 C ATOM 1011 NE ARG C 8 7.484 -34.566 -7.011 1.00 0.00 N ATOM 1012 CZ ARG C 8 6.618 -35.410 -7.538 1.00 0.00 C ATOM 1013 NH1 ARG C 8 6.449 -36.626 -7.091 1.00 0.00 N1+ ATOM 1014 NH2 ARG C 8 5.886 -35.042 -8.545 1.00 0.00 N ATOM 0 H ARG C 8 12.680 -32.942 -7.183 1.00 0.00 H new ATOM 0 HA ARG C 8 12.289 -35.753 -6.941 1.00 0.00 H new ATOM 0 HB2 ARG C 8 10.942 -33.614 -6.087 1.00 0.00 H new ATOM 0 HB3 ARG C 8 10.145 -33.713 -7.644 1.00 0.00 H new ATOM 0 HG2 ARG C 8 9.562 -36.137 -7.117 1.00 0.00 H new ATOM 0 HG3 ARG C 8 10.225 -35.899 -5.512 1.00 0.00 H new ATOM 0 HD2 ARG C 8 7.926 -35.505 -5.175 1.00 0.00 H new ATOM 0 HD3 ARG C 8 8.566 -33.881 -5.334 1.00 0.00 H new ATOM 0 HE ARG C 8 7.530 -33.640 -7.436 1.00 0.00 H new ATOM 0 HH11 ARG C 8 7.000 -36.960 -6.300 1.00 0.00 H new ATOM 0 HH12 ARG C 8 5.766 -37.241 -7.533 1.00 0.00 H new ATOM 0 HH21 ARG C 8 5.981 -34.101 -8.928 1.00 0.00 H new ATOM 0 HH22 ARG C 8 5.216 -35.694 -8.954 1.00 0.00 H new ATOM 1028 N LYS C 9 11.885 -34.534 -9.952 1.00 0.00 N ATOM 1029 CA LYS C 9 11.751 -34.867 -11.384 1.00 0.00 C ATOM 1030 C LYS C 9 12.832 -35.872 -11.819 1.00 0.00 C ATOM 1031 O LYS C 9 14.028 -35.633 -11.629 1.00 0.00 O ATOM 1032 CB LYS C 9 11.803 -33.555 -12.198 1.00 0.00 C ATOM 1033 CG LYS C 9 11.776 -33.721 -13.728 1.00 0.00 C ATOM 1034 CD LYS C 9 10.530 -34.437 -14.272 1.00 0.00 C ATOM 1035 CE LYS C 9 10.628 -34.551 -15.801 1.00 0.00 C ATOM 1036 NZ LYS C 9 9.464 -35.281 -16.380 1.00 0.00 N1+ ATOM 0 H LYS C 9 12.145 -33.560 -9.796 1.00 0.00 H new ATOM 0 HA LYS C 9 10.794 -35.355 -11.570 1.00 0.00 H new ATOM 0 HB2 LYS C 9 10.959 -32.932 -11.903 1.00 0.00 H new ATOM 0 HB3 LYS C 9 12.709 -33.014 -11.925 1.00 0.00 H new ATOM 0 HG2 LYS C 9 11.842 -32.735 -14.188 1.00 0.00 H new ATOM 0 HG3 LYS C 9 12.662 -34.277 -14.036 1.00 0.00 H new ATOM 0 HD2 LYS C 9 10.445 -35.429 -13.828 1.00 0.00 H new ATOM 0 HD3 LYS C 9 9.631 -33.886 -13.995 1.00 0.00 H new ATOM 0 HE2 LYS C 9 10.684 -33.553 -16.237 1.00 0.00 H new ATOM 0 HE3 LYS C 9 11.550 -35.068 -16.068 1.00 0.00 H new ATOM 0 HZ1 LYS C 9 9.568 -35.336 -17.413 1.00 0.00 H new ATOM 0 HZ2 LYS C 9 9.425 -36.242 -15.984 1.00 0.00 H new ATOM 0 HZ3 LYS C 9 8.586 -34.775 -16.147 1.00 0.00 H new ATOM 1050 N SER C 10 12.405 -36.988 -12.413 1.00 0.00 N ATOM 1051 CA SER C 10 13.277 -38.033 -12.975 1.00 0.00 C ATOM 1052 C SER C 10 13.985 -37.596 -14.272 1.00 0.00 C ATOM 1053 O SER C 10 13.527 -36.693 -14.982 1.00 0.00 O ATOM 1054 CB SER C 10 12.458 -39.310 -13.215 1.00 0.00 C ATOM 1055 OG SER C 10 11.358 -39.064 -14.084 1.00 0.00 O ATOM 0 H SER C 10 11.413 -37.200 -12.522 1.00 0.00 H new ATOM 0 HA SER C 10 14.065 -38.224 -12.246 1.00 0.00 H new ATOM 0 HB2 SER C 10 13.099 -40.080 -13.645 1.00 0.00 H new ATOM 0 HB3 SER C 10 12.093 -39.695 -12.263 1.00 0.00 H new ATOM 0 HG SER C 10 10.856 -39.895 -14.220 1.00 0.00 H new ATOM 1061 N THR C 11 15.120 -38.243 -14.574 1.00 0.00 N ATOM 1062 CA THR C 11 15.907 -38.048 -15.817 1.00 0.00 C ATOM 1063 C THR C 11 15.250 -38.750 -17.013 1.00 0.00 C ATOM 1064 O THR C 11 15.005 -39.977 -16.935 1.00 0.00 O ATOM 1065 CB THR C 11 17.355 -38.529 -15.644 1.00 0.00 C ATOM 1066 OG1 THR C 11 17.982 -37.753 -14.641 1.00 0.00 O ATOM 1067 CG2 THR C 11 18.197 -38.379 -16.914 1.00 0.00 C ATOM 0 H THR C 11 15.533 -38.936 -13.950 1.00 0.00 H new ATOM 0 HA THR C 11 15.925 -36.977 -16.020 1.00 0.00 H new ATOM 0 HB THR C 11 17.300 -39.587 -15.387 1.00 0.00 H new ATOM 0 HG1 THR C 11 18.907 -38.056 -14.524 1.00 0.00 H new ATOM 0 HG21 THR C 11 19.209 -38.737 -16.724 1.00 0.00 H new ATOM 0 HG22 THR C 11 17.750 -38.964 -17.718 1.00 0.00 H new ATOM 0 HG23 THR C 11 18.232 -37.329 -17.205 1.00 0.00 H new HETATM 1075 N NH2 C 12 14.975 -38.073 -18.032 1.00 0.00 N TER 1078 NH2 C 12 HETATM 1079 ZN ZN A 800 5.673 -9.487 -12.349 1.00 0.00 ZN HETATM 1080 ZN ZN A 801 0.788 -21.886 -7.581 1.00 0.00 ZN