USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=14 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 Set 1.1: A 44 ASN : amide:sc= -6.14! C(o=-6.1!,f=-7.1!) USER MOD Set 1.2: A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 31:sc= 0.336 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 88:sc= -3.82! 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 -71:sc= 0.622 USER MOD Single : A 40 MET CE :methyl 162:sc= -0.0179 (180deg=-0.165) USER MOD Single : A 41 MET CE :methyl 180:sc= -0.0642 (180deg=-0.0642) USER MOD Single : A 42 MET CE :methyl -175:sc= 0 (180deg=-0.047) USER MOD Single : A 43 LYS NZ :NH3+ -123:sc= 0.152 (180deg=-4.76!) USER MOD Single : A 52 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.5!) USER MOD Single : A 64 HIS : no HE2:sc= -8.38! C(o=-8.4!,f=-14!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.803! USER MOD Single : A 69 SER OG : rot -99:sc= -0.221! USER MOD Single : A 70 TYR OH : rot 130:sc= -0.319 USER MOD Single : A 78 HIS : no HD1:sc= -8.05! C(o=-8.1!,f=-9.2!) USER MOD Single : A 79 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.071) USER MOD Single : A 81 SER OG : rot -19:sc= -4.46! USER MOD Single : A 83 ASN : amide:sc= 0.346 X(o=0.35,f=-0.063) USER MOD Single : A 85 SER OG : rot -45:sc= -1.3! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 -8.538 22.412 -17.840 1.00 0.00 N ATOM 2 CA THR A 3 -8.453 21.758 -16.540 1.00 0.00 C ATOM 3 C THR A 3 -7.291 20.772 -16.495 1.00 0.00 C ATOM 4 O THR A 3 -7.323 19.730 -17.149 1.00 0.00 O ATOM 5 CB THR A 3 -9.758 21.011 -16.201 1.00 0.00 C ATOM 6 OG1 THR A 3 -10.889 21.808 -16.572 1.00 0.00 O ATOM 7 CG2 THR A 3 -9.824 20.687 -14.716 1.00 0.00 C ATOM 0 HA THR A 3 -8.289 22.543 -15.802 1.00 0.00 H new ATOM 0 HB THR A 3 -9.773 20.077 -16.762 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.657 22.366 -17.344 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.753 20.160 -14.500 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.977 20.057 -14.443 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.789 21.612 -14.140 1.00 0.00 H new ATOM 15 N ASP A 4 -6.267 21.109 -15.719 1.00 0.00 N ATOM 16 CA ASP A 4 -5.093 20.254 -15.589 1.00 0.00 C ATOM 17 C ASP A 4 -3.956 20.992 -14.889 1.00 0.00 C ATOM 18 O ASP A 4 -3.120 21.622 -15.536 1.00 0.00 O ATOM 19 CB ASP A 4 -4.631 19.772 -16.966 1.00 0.00 C ATOM 20 CG ASP A 4 -3.232 19.188 -16.934 1.00 0.00 C ATOM 21 OD1 ASP A 4 -2.717 18.937 -15.824 1.00 0.00 O ATOM 22 OD2 ASP A 4 -2.652 18.980 -18.020 1.00 0.00 O ATOM 0 H ASP A 4 -6.226 21.968 -15.171 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.370 19.391 -14.983 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.327 19.020 -17.337 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.658 20.606 -17.668 1.00 0.00 H new ATOM 27 N ILE A 5 -3.935 20.911 -13.563 1.00 0.00 N ATOM 28 CA ILE A 5 -2.905 21.571 -12.773 1.00 0.00 C ATOM 29 C ILE A 5 -1.701 20.651 -12.570 1.00 0.00 C ATOM 30 O ILE A 5 -1.705 19.504 -13.013 1.00 0.00 O ATOM 31 CB ILE A 5 -3.470 22.038 -11.406 1.00 0.00 C ATOM 32 CG1 ILE A 5 -2.924 23.422 -11.058 1.00 0.00 C ATOM 33 CG2 ILE A 5 -3.164 21.042 -10.294 1.00 0.00 C ATOM 34 CD1 ILE A 5 -3.088 24.425 -12.177 1.00 0.00 C ATOM 0 H ILE A 5 -4.621 20.394 -13.013 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.573 22.451 -13.324 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.555 22.095 -11.496 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.433 23.793 -10.168 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.867 23.336 -10.808 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.577 21.408 -9.354 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.611 20.078 -10.536 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.085 20.927 -10.195 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.680 25.387 -11.866 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.556 24.074 -13.061 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.146 24.538 -12.412 1.00 0.00 H new ATOM 46 N ASP A 6 -0.670 21.161 -11.903 1.00 0.00 N ATOM 47 CA ASP A 6 0.535 20.378 -11.652 1.00 0.00 C ATOM 48 C ASP A 6 0.280 19.295 -10.611 1.00 0.00 C ATOM 49 O ASP A 6 0.649 18.136 -10.802 1.00 0.00 O ATOM 50 CB ASP A 6 1.675 21.284 -11.186 1.00 0.00 C ATOM 51 CG ASP A 6 2.925 20.499 -10.839 1.00 0.00 C ATOM 52 OD1 ASP A 6 2.804 19.459 -10.157 1.00 0.00 O ATOM 53 OD2 ASP A 6 4.026 20.925 -11.249 1.00 0.00 O ATOM 0 H ASP A 6 -0.645 22.109 -11.528 1.00 0.00 H new ATOM 0 HA ASP A 6 0.819 19.898 -12.588 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.907 22.005 -11.969 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.352 21.853 -10.314 1.00 0.00 H new ATOM 58 N GLU A 7 -0.343 19.684 -9.506 1.00 0.00 N ATOM 59 CA GLU A 7 -0.645 18.756 -8.422 1.00 0.00 C ATOM 60 C GLU A 7 0.627 18.362 -7.678 1.00 0.00 C ATOM 61 O GLU A 7 0.724 18.534 -6.462 1.00 0.00 O ATOM 62 CB GLU A 7 -1.340 17.506 -8.961 1.00 0.00 C ATOM 63 CG GLU A 7 -2.634 17.794 -9.709 1.00 0.00 C ATOM 64 CD GLU A 7 -2.444 17.818 -11.213 1.00 0.00 C ATOM 65 OE1 GLU A 7 -1.375 17.376 -11.683 1.00 0.00 O ATOM 66 OE2 GLU A 7 -3.365 18.279 -11.920 1.00 0.00 O ATOM 0 H GLU A 7 -0.651 20.641 -9.336 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.316 19.259 -7.726 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.656 16.981 -9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.554 16.834 -8.130 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.374 17.037 -9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.033 18.754 -9.381 1.00 0.00 H new ATOM 73 N CYS A 8 1.602 17.836 -8.414 1.00 0.00 N ATOM 74 CA CYS A 8 2.866 17.424 -7.819 1.00 0.00 C ATOM 75 C CYS A 8 3.557 18.607 -7.156 1.00 0.00 C ATOM 76 O CYS A 8 4.296 18.444 -6.184 1.00 0.00 O ATOM 77 CB CYS A 8 3.778 16.814 -8.884 1.00 0.00 C ATOM 78 SG CYS A 8 3.172 15.234 -9.557 1.00 0.00 S ATOM 0 H CYS A 8 1.540 17.686 -9.421 1.00 0.00 H new ATOM 0 HA CYS A 8 2.658 16.672 -7.058 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.892 17.526 -9.701 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.768 16.659 -8.455 1.00 0.00 H new ATOM 83 N ARG A 9 3.306 19.799 -7.684 1.00 0.00 N ATOM 84 CA ARG A 9 3.898 21.012 -7.140 1.00 0.00 C ATOM 85 C ARG A 9 3.397 21.261 -5.724 1.00 0.00 C ATOM 86 O ARG A 9 4.135 21.753 -4.870 1.00 0.00 O ATOM 87 CB ARG A 9 3.572 22.210 -8.032 1.00 0.00 C ATOM 88 CG ARG A 9 4.787 23.047 -8.394 1.00 0.00 C ATOM 89 CD ARG A 9 4.793 23.403 -9.871 1.00 0.00 C ATOM 90 NE ARG A 9 5.698 24.511 -10.164 1.00 0.00 N ATOM 91 CZ ARG A 9 5.369 25.790 -10.011 1.00 0.00 C ATOM 92 NH1 ARG A 9 4.163 26.117 -9.570 1.00 0.00 N ATOM 93 NH2 ARG A 9 6.247 26.741 -10.299 1.00 0.00 N ATOM 0 H ARG A 9 2.697 19.950 -8.488 1.00 0.00 H new ATOM 0 HA ARG A 9 4.980 20.882 -7.109 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.101 21.853 -8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.843 22.843 -7.525 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.793 23.960 -7.798 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.696 22.498 -8.146 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.089 22.530 -10.453 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.783 23.668 -10.184 1.00 0.00 H new ATOM 0 HE ARG A 9 6.634 24.292 -10.505 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.486 25.387 -9.348 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.912 27.099 -9.453 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.176 26.492 -10.638 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.993 27.722 -10.181 1.00 0.00 H new ATOM 107 N ILE A 10 2.139 20.909 -5.476 1.00 0.00 N ATOM 108 CA ILE A 10 1.547 21.083 -4.159 1.00 0.00 C ATOM 109 C ILE A 10 2.536 20.673 -3.079 1.00 0.00 C ATOM 110 O ILE A 10 2.641 21.316 -2.034 1.00 0.00 O ATOM 111 CB ILE A 10 0.260 20.246 -4.012 1.00 0.00 C ATOM 112 CG1 ILE A 10 -0.873 20.872 -4.825 1.00 0.00 C ATOM 113 CG2 ILE A 10 -0.134 20.115 -2.546 1.00 0.00 C ATOM 114 CD1 ILE A 10 -1.455 22.117 -4.190 1.00 0.00 C ATOM 0 H ILE A 10 1.513 20.502 -6.171 1.00 0.00 H new ATOM 0 HA ILE A 10 1.295 22.137 -4.046 1.00 0.00 H new ATOM 0 HB ILE A 10 0.451 19.245 -4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.502 21.120 -5.819 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.666 20.136 -4.955 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.044 19.521 -2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.669 19.625 -1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.309 21.106 -2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.254 22.508 -4.821 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.857 21.870 -3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.674 22.870 -4.084 1.00 0.00 H new ATOM 126 N SER A 11 3.258 19.593 -3.344 1.00 0.00 N ATOM 127 CA SER A 11 4.241 19.082 -2.406 1.00 0.00 C ATOM 128 C SER A 11 5.210 18.136 -3.106 1.00 0.00 C ATOM 129 O SER A 11 4.856 17.487 -4.091 1.00 0.00 O ATOM 130 CB SER A 11 3.539 18.355 -1.259 1.00 0.00 C ATOM 131 OG SER A 11 4.046 18.771 -0.003 1.00 0.00 O ATOM 0 H SER A 11 3.179 19.053 -4.206 1.00 0.00 H new ATOM 0 HA SER A 11 4.807 19.923 -2.005 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.467 18.549 -1.304 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.673 17.279 -1.370 1.00 0.00 H new ATOM 0 HG SER A 11 3.579 18.292 0.713 1.00 0.00 H new ATOM 137 N PRO A 12 6.447 18.037 -2.600 1.00 0.00 N ATOM 138 CA PRO A 12 7.469 17.169 -3.161 1.00 0.00 C ATOM 139 C PRO A 12 7.355 15.759 -2.602 1.00 0.00 C ATOM 140 O PRO A 12 7.867 14.801 -3.180 1.00 0.00 O ATOM 141 CB PRO A 12 8.784 17.817 -2.708 1.00 0.00 C ATOM 142 CG PRO A 12 8.408 18.937 -1.781 1.00 0.00 C ATOM 143 CD PRO A 12 6.956 18.752 -1.435 1.00 0.00 C ATOM 0 HA PRO A 12 7.388 17.073 -4.244 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.420 17.091 -2.202 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.346 18.193 -3.563 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.024 18.917 -0.882 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.571 19.904 -2.258 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.827 18.178 -0.517 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.448 19.705 -1.289 1.00 0.00 H new ATOM 151 N ASP A 13 6.668 15.650 -1.471 1.00 0.00 N ATOM 152 CA ASP A 13 6.462 14.367 -0.816 1.00 0.00 C ATOM 153 C ASP A 13 4.995 13.976 -0.890 1.00 0.00 C ATOM 154 O ASP A 13 4.488 13.250 -0.037 1.00 0.00 O ATOM 155 CB ASP A 13 6.916 14.433 0.644 1.00 0.00 C ATOM 156 CG ASP A 13 7.859 13.304 1.007 1.00 0.00 C ATOM 157 OD1 ASP A 13 8.519 12.763 0.094 1.00 0.00 O ATOM 158 OD2 ASP A 13 7.939 12.959 2.205 1.00 0.00 O ATOM 0 H ASP A 13 6.242 16.441 -0.987 1.00 0.00 H new ATOM 0 HA ASP A 13 7.057 13.613 -1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.410 15.388 0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.043 14.397 1.295 1.00 0.00 H new ATOM 163 N LEU A 14 4.318 14.475 -1.918 1.00 0.00 N ATOM 164 CA LEU A 14 2.901 14.191 -2.116 1.00 0.00 C ATOM 165 C LEU A 14 2.583 12.723 -1.834 1.00 0.00 C ATOM 166 O LEU A 14 1.632 12.411 -1.118 1.00 0.00 O ATOM 167 CB LEU A 14 2.488 14.547 -3.545 1.00 0.00 C ATOM 168 CG LEU A 14 1.396 15.613 -3.660 1.00 0.00 C ATOM 169 CD1 LEU A 14 1.772 16.649 -4.707 1.00 0.00 C ATOM 170 CD2 LEU A 14 0.059 14.973 -4.002 1.00 0.00 C ATOM 0 H LEU A 14 4.729 15.080 -2.629 1.00 0.00 H new ATOM 0 HA LEU A 14 2.336 14.802 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.369 14.892 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.143 13.641 -4.043 1.00 0.00 H new ATOM 0 HG LEU A 14 1.302 16.114 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.984 17.399 -4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.708 17.130 -4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.894 16.161 -5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.705 15.746 -4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.140 14.446 -4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.217 14.267 -3.219 1.00 0.00 H new ATOM 182 N CYS A 15 3.381 11.829 -2.406 1.00 0.00 N ATOM 183 CA CYS A 15 3.182 10.393 -2.224 1.00 0.00 C ATOM 184 C CYS A 15 3.846 9.899 -0.941 1.00 0.00 C ATOM 185 O CYS A 15 3.920 8.695 -0.690 1.00 0.00 O ATOM 186 CB CYS A 15 3.734 9.630 -3.427 1.00 0.00 C ATOM 187 SG CYS A 15 3.826 10.621 -4.951 1.00 0.00 S ATOM 0 H CYS A 15 4.173 12.072 -3.001 1.00 0.00 H new ATOM 0 HA CYS A 15 2.111 10.209 -2.142 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.731 9.261 -3.185 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.107 8.757 -3.610 1.00 0.00 H new ATOM 192 N GLY A 16 4.322 10.837 -0.132 1.00 0.00 N ATOM 193 CA GLY A 16 4.971 10.494 1.121 1.00 0.00 C ATOM 194 C GLY A 16 5.866 9.273 1.024 1.00 0.00 C ATOM 195 O GLY A 16 6.107 8.600 2.026 1.00 0.00 O ATOM 0 H GLY A 16 4.270 11.838 -0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.564 11.344 1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.208 10.317 1.879 1.00 0.00 H new ATOM 199 N ARG A 17 6.363 8.985 -0.176 1.00 0.00 N ATOM 200 CA ARG A 17 7.238 7.835 -0.382 1.00 0.00 C ATOM 201 C ARG A 17 7.535 7.628 -1.864 1.00 0.00 C ATOM 202 O ARG A 17 8.679 7.397 -2.253 1.00 0.00 O ATOM 203 CB ARG A 17 6.599 6.567 0.191 1.00 0.00 C ATOM 204 CG ARG A 17 7.601 5.607 0.810 1.00 0.00 C ATOM 205 CD ARG A 17 7.845 5.924 2.277 1.00 0.00 C ATOM 206 NE ARG A 17 8.439 4.797 2.989 1.00 0.00 N ATOM 207 CZ ARG A 17 8.856 4.860 4.250 1.00 0.00 C ATOM 208 NH1 ARG A 17 8.744 5.992 4.931 1.00 0.00 N ATOM 209 NH2 ARG A 17 9.386 3.791 4.829 1.00 0.00 N ATOM 0 H ARG A 17 6.176 9.530 -1.018 1.00 0.00 H new ATOM 0 HA ARG A 17 8.175 8.036 0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.865 6.849 0.946 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.058 6.052 -0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.234 4.585 0.714 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.543 5.660 0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.502 6.790 2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.902 6.196 2.751 1.00 0.00 H new ATOM 0 HE ARG A 17 8.540 3.912 2.492 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.338 6.816 4.488 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.064 6.039 5.898 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.474 2.919 4.307 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.706 3.841 5.796 1.00 0.00 H new ATOM 223 N GLY A 18 6.492 7.702 -2.684 1.00 0.00 N ATOM 224 CA GLY A 18 6.656 7.511 -4.111 1.00 0.00 C ATOM 225 C GLY A 18 6.982 8.794 -4.846 1.00 0.00 C ATOM 226 O GLY A 18 7.508 9.741 -4.259 1.00 0.00 O ATOM 0 H GLY A 18 5.536 7.891 -2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.451 6.786 -4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.741 7.085 -4.523 1.00 0.00 H new ATOM 230 N GLN A 19 6.669 8.820 -6.136 1.00 0.00 N ATOM 231 CA GLN A 19 6.932 9.989 -6.966 1.00 0.00 C ATOM 232 C GLN A 19 5.660 10.451 -7.669 1.00 0.00 C ATOM 233 O GLN A 19 5.153 9.775 -8.563 1.00 0.00 O ATOM 234 CB GLN A 19 8.012 9.661 -7.995 1.00 0.00 C ATOM 235 CG GLN A 19 9.086 8.727 -7.463 1.00 0.00 C ATOM 236 CD GLN A 19 10.465 9.355 -7.477 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.846 10.064 -6.545 1.00 0.00 O ATOM 238 NE2 GLN A 19 11.221 9.097 -8.537 1.00 0.00 N ATOM 0 H GLN A 19 6.232 8.043 -6.631 1.00 0.00 H new ATOM 0 HA GLN A 19 7.281 10.799 -6.325 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.545 9.206 -8.869 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.479 10.587 -8.329 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.835 8.434 -6.444 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.100 7.817 -8.062 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.864 8.504 -9.286 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.159 9.492 -8.603 1.00 0.00 H new ATOM 247 N CYS A 20 5.147 11.605 -7.256 1.00 0.00 N ATOM 248 CA CYS A 20 3.930 12.152 -7.843 1.00 0.00 C ATOM 249 C CYS A 20 4.104 12.416 -9.335 1.00 0.00 C ATOM 250 O CYS A 20 5.216 12.643 -9.812 1.00 0.00 O ATOM 251 CB CYS A 20 3.530 13.445 -7.133 1.00 0.00 C ATOM 252 SG CYS A 20 2.217 14.379 -7.982 1.00 0.00 S ATOM 0 H CYS A 20 5.555 12.179 -6.518 1.00 0.00 H new ATOM 0 HA CYS A 20 3.140 11.412 -7.715 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.197 13.205 -6.123 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.410 14.081 -7.035 1.00 0.00 H new ATOM 257 N VAL A 21 2.992 12.394 -10.062 1.00 0.00 N ATOM 258 CA VAL A 21 3.006 12.639 -11.498 1.00 0.00 C ATOM 259 C VAL A 21 1.813 13.492 -11.911 1.00 0.00 C ATOM 260 O VAL A 21 0.831 13.598 -11.179 1.00 0.00 O ATOM 261 CB VAL A 21 2.989 11.324 -12.301 1.00 0.00 C ATOM 262 CG1 VAL A 21 2.674 11.593 -13.766 1.00 0.00 C ATOM 263 CG2 VAL A 21 4.316 10.595 -12.158 1.00 0.00 C ATOM 0 H VAL A 21 2.066 12.208 -9.677 1.00 0.00 H new ATOM 0 HA VAL A 21 3.931 13.171 -11.721 1.00 0.00 H new ATOM 0 HB VAL A 21 2.203 10.685 -11.898 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.667 10.652 -14.315 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.696 12.068 -13.847 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.433 12.253 -14.186 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.286 9.669 -12.732 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.121 11.228 -12.532 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.494 10.366 -11.107 1.00 0.00 H new ATOM 273 N ASN A 22 1.907 14.098 -13.089 1.00 0.00 N ATOM 274 CA ASN A 22 0.836 14.944 -13.598 1.00 0.00 C ATOM 275 C ASN A 22 -0.144 14.145 -14.450 1.00 0.00 C ATOM 276 O ASN A 22 0.251 13.254 -15.201 1.00 0.00 O ATOM 277 CB ASN A 22 1.417 16.094 -14.418 1.00 0.00 C ATOM 278 CG ASN A 22 0.469 17.271 -14.503 1.00 0.00 C ATOM 279 OD1 ASN A 22 -0.079 17.568 -15.564 1.00 0.00 O ATOM 280 ND2 ASN A 22 0.269 17.948 -13.379 1.00 0.00 N ATOM 0 H ASN A 22 2.713 14.019 -13.709 1.00 0.00 H new ATOM 0 HA ASN A 22 0.294 15.347 -12.743 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.357 16.418 -13.971 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.647 15.741 -15.423 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.361 18.750 -13.372 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.745 17.666 -12.522 1.00 0.00 H new ATOM 287 N THR A 23 -1.427 14.476 -14.331 1.00 0.00 N ATOM 288 CA THR A 23 -2.467 13.798 -15.092 1.00 0.00 C ATOM 289 C THR A 23 -3.608 14.753 -15.426 1.00 0.00 C ATOM 290 O THR A 23 -3.876 15.697 -14.684 1.00 0.00 O ATOM 291 CB THR A 23 -3.032 12.590 -14.321 1.00 0.00 C ATOM 292 OG1 THR A 23 -3.999 13.030 -13.360 1.00 0.00 O ATOM 293 CG2 THR A 23 -1.919 11.829 -13.617 1.00 0.00 C ATOM 0 H THR A 23 -1.770 15.211 -13.713 1.00 0.00 H new ATOM 0 HA THR A 23 -2.007 13.445 -16.015 1.00 0.00 H new ATOM 0 HB THR A 23 -3.511 11.922 -15.037 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.883 13.072 -13.781 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.342 10.980 -13.079 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.201 11.470 -14.354 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.415 12.491 -12.912 1.00 0.00 H new ATOM 301 N PRO A 24 -4.299 14.517 -16.550 1.00 0.00 N ATOM 302 CA PRO A 24 -5.419 15.355 -16.983 1.00 0.00 C ATOM 303 C PRO A 24 -6.439 15.559 -15.871 1.00 0.00 C ATOM 304 O PRO A 24 -7.155 14.632 -15.493 1.00 0.00 O ATOM 305 CB PRO A 24 -6.041 14.570 -18.149 1.00 0.00 C ATOM 306 CG PRO A 24 -5.396 13.222 -18.122 1.00 0.00 C ATOM 307 CD PRO A 24 -4.052 13.414 -17.484 1.00 0.00 C ATOM 0 HA PRO A 24 -5.092 16.356 -17.265 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.122 14.489 -18.033 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.859 15.072 -19.099 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.999 12.513 -17.554 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.295 12.819 -19.130 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.715 12.514 -16.969 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.287 13.667 -18.218 1.00 0.00 H new ATOM 315 N GLY A 25 -6.495 16.778 -15.342 1.00 0.00 N ATOM 316 CA GLY A 25 -7.425 17.075 -14.271 1.00 0.00 C ATOM 317 C GLY A 25 -7.224 16.163 -13.079 1.00 0.00 C ATOM 318 O GLY A 25 -8.186 15.667 -12.494 1.00 0.00 O ATOM 0 H GLY A 25 -5.914 17.563 -15.636 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.301 18.112 -13.960 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.446 16.973 -14.638 1.00 0.00 H new ATOM 322 N ASP A 26 -5.964 15.941 -12.723 1.00 0.00 N ATOM 323 CA ASP A 26 -5.625 15.080 -11.599 1.00 0.00 C ATOM 324 C ASP A 26 -4.117 14.857 -11.525 1.00 0.00 C ATOM 325 O ASP A 26 -3.341 15.591 -12.137 1.00 0.00 O ATOM 326 CB ASP A 26 -6.344 13.738 -11.723 1.00 0.00 C ATOM 327 CG ASP A 26 -7.352 13.516 -10.612 1.00 0.00 C ATOM 328 OD1 ASP A 26 -8.482 14.037 -10.722 1.00 0.00 O ATOM 329 OD2 ASP A 26 -7.009 12.824 -9.630 1.00 0.00 O ATOM 0 H ASP A 26 -5.159 16.347 -13.199 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.949 15.573 -10.683 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.852 13.689 -12.686 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.609 12.933 -11.709 1.00 0.00 H new ATOM 334 N PHE A 27 -3.710 13.842 -10.772 1.00 0.00 N ATOM 335 CA PHE A 27 -2.295 13.531 -10.617 1.00 0.00 C ATOM 336 C PHE A 27 -2.104 12.166 -9.964 1.00 0.00 C ATOM 337 O PHE A 27 -2.829 11.803 -9.037 1.00 0.00 O ATOM 338 CB PHE A 27 -1.617 14.612 -9.777 1.00 0.00 C ATOM 339 CG PHE A 27 -1.808 14.432 -8.298 1.00 0.00 C ATOM 340 CD1 PHE A 27 -2.903 14.987 -7.656 1.00 0.00 C ATOM 341 CD2 PHE A 27 -0.893 13.708 -7.551 1.00 0.00 C ATOM 342 CE1 PHE A 27 -3.083 14.824 -6.296 1.00 0.00 C ATOM 343 CE2 PHE A 27 -1.068 13.540 -6.189 1.00 0.00 C ATOM 344 CZ PHE A 27 -2.165 14.099 -5.562 1.00 0.00 C ATOM 0 H PHE A 27 -4.338 13.222 -10.261 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.839 13.501 -11.606 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.550 14.617 -9.999 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.008 15.586 -10.070 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.625 15.554 -8.226 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.034 13.270 -8.037 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.940 15.263 -5.808 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.349 12.973 -5.617 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.304 13.969 -4.499 1.00 0.00 H new ATOM 354 N GLU A 28 -1.123 11.415 -10.452 1.00 0.00 N ATOM 355 CA GLU A 28 -0.834 10.091 -9.914 1.00 0.00 C ATOM 356 C GLU A 28 0.467 10.106 -9.120 1.00 0.00 C ATOM 357 O GLU A 28 1.048 11.167 -8.886 1.00 0.00 O ATOM 358 CB GLU A 28 -0.750 9.061 -11.042 1.00 0.00 C ATOM 359 CG GLU A 28 0.267 9.412 -12.116 1.00 0.00 C ATOM 360 CD GLU A 28 -0.040 8.752 -13.446 1.00 0.00 C ATOM 361 OE1 GLU A 28 -1.063 8.041 -13.534 1.00 0.00 O ATOM 362 OE2 GLU A 28 0.743 8.947 -14.399 1.00 0.00 O ATOM 0 H GLU A 28 -0.514 11.701 -11.219 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.647 9.811 -9.244 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.496 8.090 -10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.732 8.960 -11.503 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.292 10.494 -12.248 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.260 9.108 -11.784 1.00 0.00 H new ATOM 369 N CYS A 29 0.921 8.929 -8.704 1.00 0.00 N ATOM 370 CA CYS A 29 2.155 8.823 -7.934 1.00 0.00 C ATOM 371 C CYS A 29 2.910 7.542 -8.267 1.00 0.00 C ATOM 372 O CYS A 29 2.329 6.569 -8.747 1.00 0.00 O ATOM 373 CB CYS A 29 1.850 8.864 -6.436 1.00 0.00 C ATOM 374 SG CYS A 29 1.942 10.529 -5.701 1.00 0.00 S ATOM 0 H CYS A 29 0.456 8.039 -8.886 1.00 0.00 H new ATOM 0 HA CYS A 29 2.785 9.672 -8.201 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.852 8.460 -6.269 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.550 8.210 -5.916 1.00 0.00 H new ATOM 379 N LYS A 30 4.210 7.553 -7.995 1.00 0.00 N ATOM 380 CA LYS A 30 5.058 6.396 -8.248 1.00 0.00 C ATOM 381 C LYS A 30 5.487 5.760 -6.931 1.00 0.00 C ATOM 382 O LYS A 30 6.669 5.750 -6.589 1.00 0.00 O ATOM 383 CB LYS A 30 6.290 6.808 -9.055 1.00 0.00 C ATOM 384 CG LYS A 30 6.811 5.714 -9.973 1.00 0.00 C ATOM 385 CD LYS A 30 7.394 4.554 -9.183 1.00 0.00 C ATOM 386 CE LYS A 30 8.819 4.840 -8.739 1.00 0.00 C ATOM 387 NZ LYS A 30 9.820 4.261 -9.677 1.00 0.00 N ATOM 0 H LYS A 30 4.700 8.354 -7.598 1.00 0.00 H new ATOM 0 HA LYS A 30 4.488 5.667 -8.824 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.045 7.686 -9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.083 7.101 -8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.001 5.353 -10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.574 6.125 -10.634 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.772 4.359 -8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.377 3.652 -9.794 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.968 5.917 -8.669 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.977 4.431 -7.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.779 4.478 -9.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.695 3.230 -9.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.686 4.670 -10.624 1.00 0.00 H new ATOM 401 N CYS A 31 4.512 5.245 -6.190 1.00 0.00 N ATOM 402 CA CYS A 31 4.776 4.617 -4.901 1.00 0.00 C ATOM 403 C CYS A 31 5.890 3.582 -5.002 1.00 0.00 C ATOM 404 O CYS A 31 6.144 3.024 -6.069 1.00 0.00 O ATOM 405 CB CYS A 31 3.500 3.971 -4.353 1.00 0.00 C ATOM 406 SG CYS A 31 2.336 5.146 -3.582 1.00 0.00 S ATOM 0 H CYS A 31 3.529 5.250 -6.461 1.00 0.00 H new ATOM 0 HA CYS A 31 5.105 5.395 -4.213 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.991 3.453 -5.166 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.776 3.215 -3.617 1.00 0.00 H new ATOM 411 N ASP A 32 6.553 3.339 -3.877 1.00 0.00 N ATOM 412 CA ASP A 32 7.649 2.380 -3.816 1.00 0.00 C ATOM 413 C ASP A 32 7.370 1.164 -4.691 1.00 0.00 C ATOM 414 O ASP A 32 7.718 1.143 -5.872 1.00 0.00 O ATOM 415 CB ASP A 32 7.883 1.939 -2.370 1.00 0.00 C ATOM 416 CG ASP A 32 8.898 0.819 -2.264 1.00 0.00 C ATOM 417 OD1 ASP A 32 10.090 1.069 -2.549 1.00 0.00 O ATOM 418 OD2 ASP A 32 8.504 -0.307 -1.896 1.00 0.00 O ATOM 0 H ASP A 32 6.348 3.797 -2.989 1.00 0.00 H new ATOM 0 HA ASP A 32 8.546 2.871 -4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.225 2.792 -1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.938 1.612 -1.936 1.00 0.00 H new ATOM 423 N GLU A 33 6.750 0.148 -4.102 1.00 0.00 N ATOM 424 CA GLU A 33 6.437 -1.077 -4.829 1.00 0.00 C ATOM 425 C GLU A 33 5.060 -1.613 -4.455 1.00 0.00 C ATOM 426 O GLU A 33 4.336 -2.134 -5.304 1.00 0.00 O ATOM 427 CB GLU A 33 7.500 -2.137 -4.546 1.00 0.00 C ATOM 428 CG GLU A 33 8.922 -1.603 -4.611 1.00 0.00 C ATOM 429 CD GLU A 33 9.932 -2.560 -4.009 1.00 0.00 C ATOM 430 OE1 GLU A 33 9.560 -3.720 -3.733 1.00 0.00 O ATOM 431 OE2 GLU A 33 11.096 -2.150 -3.815 1.00 0.00 O ATOM 0 H GLU A 33 6.455 0.148 -3.126 1.00 0.00 H new ATOM 0 HA GLU A 33 6.429 -0.841 -5.893 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.325 -2.561 -3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.392 -2.949 -5.265 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.186 -1.409 -5.651 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.972 -0.649 -4.086 1.00 0.00 H new ATOM 438 N GLY A 34 4.702 -1.488 -3.182 1.00 0.00 N ATOM 439 CA GLY A 34 3.417 -1.971 -2.727 1.00 0.00 C ATOM 440 C GLY A 34 2.685 -0.951 -1.885 1.00 0.00 C ATOM 441 O GLY A 34 1.784 -1.302 -1.129 1.00 0.00 O ATOM 0 H GLY A 34 5.281 -1.060 -2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.804 -2.234 -3.589 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.559 -2.883 -2.147 1.00 0.00 H new ATOM 445 N TYR A 35 3.074 0.313 -2.016 1.00 0.00 N ATOM 446 CA TYR A 35 2.449 1.391 -1.259 1.00 0.00 C ATOM 447 C TYR A 35 1.253 1.970 -2.008 1.00 0.00 C ATOM 448 O TYR A 35 1.172 1.882 -3.233 1.00 0.00 O ATOM 449 CB TYR A 35 3.463 2.499 -0.978 1.00 0.00 C ATOM 450 CG TYR A 35 4.388 2.198 0.181 1.00 0.00 C ATOM 451 CD1 TYR A 35 4.754 0.893 0.483 1.00 0.00 C ATOM 452 CD2 TYR A 35 4.897 3.222 0.970 1.00 0.00 C ATOM 453 CE1 TYR A 35 5.599 0.617 1.541 1.00 0.00 C ATOM 454 CE2 TYR A 35 5.742 2.954 2.028 1.00 0.00 C ATOM 455 CZ TYR A 35 6.091 1.650 2.310 1.00 0.00 C ATOM 456 OH TYR A 35 6.933 1.378 3.365 1.00 0.00 O ATOM 0 H TYR A 35 3.821 0.616 -2.641 1.00 0.00 H new ATOM 0 HA TYR A 35 2.097 0.974 -0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.061 2.668 -1.874 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.927 3.426 -0.773 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.372 0.081 -0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.627 4.245 0.752 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.873 -0.404 1.764 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.128 3.762 2.632 1.00 0.00 H new ATOM 0 HH TYR A 35 7.190 2.216 3.803 1.00 0.00 H new ATOM 466 N GLU A 36 0.328 2.566 -1.260 1.00 0.00 N ATOM 467 CA GLU A 36 -0.862 3.164 -1.851 1.00 0.00 C ATOM 468 C GLU A 36 -0.839 4.683 -1.689 1.00 0.00 C ATOM 469 O GLU A 36 -0.760 5.197 -0.574 1.00 0.00 O ATOM 470 CB GLU A 36 -2.130 2.575 -1.215 1.00 0.00 C ATOM 471 CG GLU A 36 -2.766 3.460 -0.153 1.00 0.00 C ATOM 472 CD GLU A 36 -4.129 2.960 0.282 1.00 0.00 C ATOM 473 OE1 GLU A 36 -5.131 3.326 -0.366 1.00 0.00 O ATOM 474 OE2 GLU A 36 -4.194 2.202 1.274 1.00 0.00 O ATOM 0 H GLU A 36 0.381 2.647 -0.245 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.869 2.933 -2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.862 2.386 -2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.885 1.611 -0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.108 3.511 0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.862 4.474 -0.540 1.00 0.00 H new ATOM 481 N SER A 37 -0.911 5.389 -2.809 1.00 0.00 N ATOM 482 CA SER A 37 -0.902 6.845 -2.798 1.00 0.00 C ATOM 483 C SER A 37 -2.273 7.395 -2.415 1.00 0.00 C ATOM 484 O SER A 37 -3.070 7.759 -3.279 1.00 0.00 O ATOM 485 CB SER A 37 -0.489 7.382 -4.169 1.00 0.00 C ATOM 486 OG SER A 37 -0.372 6.333 -5.114 1.00 0.00 O ATOM 0 H SER A 37 -0.976 4.975 -3.739 1.00 0.00 H new ATOM 0 HA SER A 37 -0.178 7.174 -2.053 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.225 8.107 -4.516 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.462 7.908 -4.085 1.00 0.00 H new ATOM 0 HG SER A 37 0.424 5.798 -4.912 1.00 0.00 H new ATOM 492 N GLY A 38 -2.540 7.451 -1.115 1.00 0.00 N ATOM 493 CA GLY A 38 -3.816 7.954 -0.642 1.00 0.00 C ATOM 494 C GLY A 38 -4.504 6.981 0.292 1.00 0.00 C ATOM 495 O GLY A 38 -5.684 6.670 0.122 1.00 0.00 O ATOM 0 H GLY A 38 -1.896 7.157 -0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.662 8.902 -0.127 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.464 8.156 -1.495 1.00 0.00 H new ATOM 499 N PHE A 39 -3.759 6.496 1.275 1.00 0.00 N ATOM 500 CA PHE A 39 -4.290 5.545 2.243 1.00 0.00 C ATOM 501 C PHE A 39 -5.367 6.184 3.112 1.00 0.00 C ATOM 502 O PHE A 39 -6.107 5.489 3.809 1.00 0.00 O ATOM 503 CB PHE A 39 -3.159 5.007 3.119 1.00 0.00 C ATOM 504 CG PHE A 39 -3.639 4.207 4.297 1.00 0.00 C ATOM 505 CD1 PHE A 39 -4.599 3.221 4.136 1.00 0.00 C ATOM 506 CD2 PHE A 39 -3.130 4.441 5.564 1.00 0.00 C ATOM 507 CE1 PHE A 39 -5.043 2.483 5.217 1.00 0.00 C ATOM 508 CE2 PHE A 39 -3.571 3.707 6.649 1.00 0.00 C ATOM 509 CZ PHE A 39 -4.529 2.727 6.475 1.00 0.00 C ATOM 0 H PHE A 39 -2.781 6.746 1.424 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.746 4.721 1.694 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.504 4.384 2.510 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.560 5.844 3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.005 3.027 3.154 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.380 5.205 5.706 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.791 1.716 5.078 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.167 3.899 7.632 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.875 2.153 7.322 1.00 0.00 H new ATOM 519 N MET A 40 -5.451 7.508 3.067 1.00 0.00 N ATOM 520 CA MET A 40 -6.438 8.239 3.850 1.00 0.00 C ATOM 521 C MET A 40 -6.011 9.690 4.036 1.00 0.00 C ATOM 522 O MET A 40 -6.848 10.588 4.132 1.00 0.00 O ATOM 523 CB MET A 40 -6.635 7.576 5.213 1.00 0.00 C ATOM 524 CG MET A 40 -5.356 7.003 5.801 1.00 0.00 C ATOM 525 SD MET A 40 -4.903 7.775 7.366 1.00 0.00 S ATOM 526 CE MET A 40 -6.261 7.247 8.409 1.00 0.00 C ATOM 0 H MET A 40 -4.846 8.098 2.495 1.00 0.00 H new ATOM 0 HA MET A 40 -7.383 8.220 3.307 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.048 8.308 5.907 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.370 6.777 5.116 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.479 5.930 5.952 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.543 7.133 5.087 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.981 7.361 9.456 1.00 0.00 H new ATOM 0 HE2 MET A 40 -7.139 7.857 8.199 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.490 6.201 8.207 1.00 0.00 H new ATOM 536 N MET A 41 -4.703 9.912 4.083 1.00 0.00 N ATOM 537 CA MET A 41 -4.163 11.254 4.255 1.00 0.00 C ATOM 538 C MET A 41 -4.466 12.115 3.034 1.00 0.00 C ATOM 539 O MET A 41 -4.729 13.311 3.152 1.00 0.00 O ATOM 540 CB MET A 41 -2.653 11.195 4.491 1.00 0.00 C ATOM 541 CG MET A 41 -2.231 10.103 5.459 1.00 0.00 C ATOM 542 SD MET A 41 -2.963 10.304 7.095 1.00 0.00 S ATOM 543 CE MET A 41 -1.897 9.249 8.074 1.00 0.00 C ATOM 0 H MET A 41 -3.997 9.180 4.004 1.00 0.00 H new ATOM 0 HA MET A 41 -4.639 11.704 5.126 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.150 11.037 3.537 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.316 12.158 4.873 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.518 9.133 5.054 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.145 10.102 5.549 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.223 9.268 9.114 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.949 8.228 7.696 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.870 9.608 8.009 1.00 0.00 H new ATOM 553 N MET A 42 -4.428 11.493 1.862 1.00 0.00 N ATOM 554 CA MET A 42 -4.698 12.193 0.613 1.00 0.00 C ATOM 555 C MET A 42 -4.104 11.427 -0.559 1.00 0.00 C ATOM 556 O MET A 42 -4.809 11.052 -1.497 1.00 0.00 O ATOM 557 CB MET A 42 -4.121 13.610 0.660 1.00 0.00 C ATOM 558 CG MET A 42 -2.760 13.690 1.331 1.00 0.00 C ATOM 559 SD MET A 42 -2.663 15.016 2.549 1.00 0.00 S ATOM 560 CE MET A 42 -2.922 16.451 1.509 1.00 0.00 C ATOM 0 H MET A 42 -4.212 10.502 1.751 1.00 0.00 H new ATOM 0 HA MET A 42 -5.778 12.259 0.480 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.039 13.994 -0.357 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.817 14.260 1.191 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.542 12.739 1.817 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.993 13.843 0.572 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.802 17.357 2.103 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.194 16.449 0.698 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.929 16.421 1.092 1.00 0.00 H new ATOM 570 N LYS A 43 -2.801 11.193 -0.491 1.00 0.00 N ATOM 571 CA LYS A 43 -2.100 10.464 -1.538 1.00 0.00 C ATOM 572 C LYS A 43 -0.767 9.921 -1.028 1.00 0.00 C ATOM 573 O LYS A 43 0.138 9.639 -1.814 1.00 0.00 O ATOM 574 CB LYS A 43 -1.864 11.369 -2.747 1.00 0.00 C ATOM 575 CG LYS A 43 -1.360 10.622 -3.966 1.00 0.00 C ATOM 576 CD LYS A 43 -2.491 10.300 -4.928 1.00 0.00 C ATOM 577 CE LYS A 43 -1.980 10.117 -6.349 1.00 0.00 C ATOM 578 NZ LYS A 43 -3.090 9.881 -7.313 1.00 0.00 N ATOM 0 H LYS A 43 -2.207 11.498 0.280 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.724 9.622 -1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.795 11.876 -3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.143 12.141 -2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.607 11.222 -4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.873 9.698 -3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.999 9.392 -4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.228 11.103 -4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.420 11.002 -6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.287 9.276 -6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.933 8.981 -7.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.993 9.840 -6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.120 10.657 -8.005 1.00 0.00 H new ATOM 592 N ASN A 44 -0.651 9.776 0.288 1.00 0.00 N ATOM 593 CA ASN A 44 0.570 9.269 0.895 1.00 0.00 C ATOM 594 C ASN A 44 0.749 7.783 0.593 1.00 0.00 C ATOM 595 O ASN A 44 -0.164 6.983 0.793 1.00 0.00 O ATOM 596 CB ASN A 44 0.557 9.533 2.412 1.00 0.00 C ATOM 597 CG ASN A 44 0.343 8.284 3.253 1.00 0.00 C ATOM 598 OD1 ASN A 44 1.183 7.927 4.079 1.00 0.00 O ATOM 599 ND2 ASN A 44 -0.784 7.612 3.045 1.00 0.00 N ATOM 0 H ASN A 44 -1.390 10.003 0.954 1.00 0.00 H new ATOM 0 HA ASN A 44 1.421 9.797 0.464 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.502 9.995 2.699 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.231 10.251 2.639 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.979 6.766 3.580 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.454 7.942 2.350 1.00 0.00 H new ATOM 606 N CYS A 45 1.931 7.424 0.110 1.00 0.00 N ATOM 607 CA CYS A 45 2.234 6.038 -0.220 1.00 0.00 C ATOM 608 C CYS A 45 2.242 5.175 1.038 1.00 0.00 C ATOM 609 O CYS A 45 3.155 5.265 1.858 1.00 0.00 O ATOM 610 CB CYS A 45 3.583 5.953 -0.932 1.00 0.00 C ATOM 611 SG CYS A 45 3.534 6.506 -2.666 1.00 0.00 S ATOM 0 H CYS A 45 2.697 8.075 -0.062 1.00 0.00 H new ATOM 0 HA CYS A 45 1.458 5.662 -0.887 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.309 6.557 -0.388 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.937 4.923 -0.899 1.00 0.00 H new ATOM 616 N MET A 46 1.210 4.351 1.191 1.00 0.00 N ATOM 617 CA MET A 46 1.092 3.485 2.360 1.00 0.00 C ATOM 618 C MET A 46 0.680 2.066 1.966 1.00 0.00 C ATOM 619 O MET A 46 -0.488 1.819 1.670 1.00 0.00 O ATOM 620 CB MET A 46 0.075 4.073 3.338 1.00 0.00 C ATOM 621 CG MET A 46 0.682 5.040 4.340 1.00 0.00 C ATOM 622 SD MET A 46 1.904 4.257 5.408 1.00 0.00 S ATOM 623 CE MET A 46 2.129 5.526 6.652 1.00 0.00 C ATOM 0 H MET A 46 0.445 4.264 0.522 1.00 0.00 H new ATOM 0 HA MET A 46 2.069 3.428 2.839 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.703 4.588 2.774 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.409 3.259 3.878 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.150 5.866 3.804 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.111 5.466 4.954 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.859 5.189 7.388 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.486 6.440 6.178 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.178 5.722 7.148 1.00 0.00 H new ATOM 633 N ASP A 47 1.658 1.153 1.975 1.00 0.00 N ATOM 634 CA ASP A 47 1.448 -0.260 1.630 1.00 0.00 C ATOM 635 C ASP A 47 -0.007 -0.579 1.290 1.00 0.00 C ATOM 636 O ASP A 47 -0.864 -0.652 2.171 1.00 0.00 O ATOM 637 CB ASP A 47 1.923 -1.155 2.776 1.00 0.00 C ATOM 638 CG ASP A 47 0.925 -1.222 3.914 1.00 0.00 C ATOM 639 OD1 ASP A 47 0.879 -0.270 4.722 1.00 0.00 O ATOM 640 OD2 ASP A 47 0.190 -2.228 4.001 1.00 0.00 O ATOM 0 H ASP A 47 2.623 1.373 2.223 1.00 0.00 H new ATOM 0 HA ASP A 47 2.036 -0.457 0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.104 -2.161 2.396 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.875 -0.781 3.154 1.00 0.00 H new ATOM 645 N ILE A 48 -0.270 -0.773 0.004 1.00 0.00 N ATOM 646 CA ILE A 48 -1.606 -1.094 -0.476 1.00 0.00 C ATOM 647 C ILE A 48 -2.080 -2.435 0.072 1.00 0.00 C ATOM 648 O ILE A 48 -1.334 -3.139 0.751 1.00 0.00 O ATOM 649 CB ILE A 48 -1.639 -1.156 -2.016 1.00 0.00 C ATOM 650 CG1 ILE A 48 -0.555 -2.107 -2.528 1.00 0.00 C ATOM 651 CG2 ILE A 48 -1.453 0.231 -2.611 1.00 0.00 C ATOM 652 CD1 ILE A 48 -1.023 -3.010 -3.648 1.00 0.00 C ATOM 0 H ILE A 48 0.434 -0.712 -0.732 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.269 -0.303 -0.126 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.613 -1.534 -2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.296 -1.521 -2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.202 -2.722 -1.700 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.479 0.167 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.254 0.885 -2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.492 0.637 -2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.203 -3.656 -3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.855 -3.622 -3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.349 -2.403 -4.493 1.00 0.00 H new ATOM 664 N ASP A 49 -3.323 -2.787 -0.241 1.00 0.00 N ATOM 665 CA ASP A 49 -3.892 -4.050 0.208 1.00 0.00 C ATOM 666 C ASP A 49 -3.652 -5.134 -0.834 1.00 0.00 C ATOM 667 O ASP A 49 -4.553 -5.487 -1.594 1.00 0.00 O ATOM 668 CB ASP A 49 -5.391 -3.903 0.469 1.00 0.00 C ATOM 669 CG ASP A 49 -6.033 -5.212 0.885 1.00 0.00 C ATOM 670 OD1 ASP A 49 -5.398 -6.272 0.694 1.00 0.00 O ATOM 671 OD2 ASP A 49 -7.170 -5.179 1.401 1.00 0.00 O ATOM 0 H ASP A 49 -3.954 -2.215 -0.803 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.402 -4.335 1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.551 -3.158 1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.880 -3.531 -0.432 1.00 0.00 H new ATOM 676 N GLU A 50 -2.429 -5.649 -0.872 1.00 0.00 N ATOM 677 CA GLU A 50 -2.066 -6.684 -1.826 1.00 0.00 C ATOM 678 C GLU A 50 -3.101 -7.804 -1.850 1.00 0.00 C ATOM 679 O GLU A 50 -3.313 -8.442 -2.881 1.00 0.00 O ATOM 680 CB GLU A 50 -0.692 -7.249 -1.480 1.00 0.00 C ATOM 681 CG GLU A 50 0.441 -6.255 -1.675 1.00 0.00 C ATOM 682 CD GLU A 50 0.717 -5.435 -0.431 1.00 0.00 C ATOM 683 OE1 GLU A 50 0.915 -6.038 0.646 1.00 0.00 O ATOM 684 OE2 GLU A 50 0.736 -4.190 -0.532 1.00 0.00 O ATOM 0 H GLU A 50 -1.672 -5.364 -0.251 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.034 -6.235 -2.819 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.697 -7.583 -0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.504 -8.128 -2.097 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.346 -6.792 -1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.195 -5.586 -2.499 1.00 0.00 H new ATOM 691 N CYS A 51 -3.742 -8.042 -0.712 1.00 0.00 N ATOM 692 CA CYS A 51 -4.751 -9.090 -0.613 1.00 0.00 C ATOM 693 C CYS A 51 -6.015 -8.700 -1.373 1.00 0.00 C ATOM 694 O CYS A 51 -6.909 -9.522 -1.576 1.00 0.00 O ATOM 695 CB CYS A 51 -5.091 -9.364 0.852 1.00 0.00 C ATOM 696 SG CYS A 51 -3.677 -9.933 1.850 1.00 0.00 S ATOM 0 H CYS A 51 -3.582 -7.525 0.153 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.342 -9.996 -1.060 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.493 -8.454 1.297 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.879 -10.116 0.896 1.00 0.00 H new ATOM 701 N GLN A 52 -6.084 -7.440 -1.784 1.00 0.00 N ATOM 702 CA GLN A 52 -7.236 -6.931 -2.513 1.00 0.00 C ATOM 703 C GLN A 52 -6.833 -6.452 -3.903 1.00 0.00 C ATOM 704 O GLN A 52 -7.680 -6.255 -4.775 1.00 0.00 O ATOM 705 CB GLN A 52 -7.873 -5.786 -1.732 1.00 0.00 C ATOM 706 CG GLN A 52 -8.910 -6.246 -0.724 1.00 0.00 C ATOM 707 CD GLN A 52 -10.033 -5.243 -0.541 1.00 0.00 C ATOM 708 OE1 GLN A 52 -10.419 -4.547 -1.481 1.00 0.00 O ATOM 709 NE2 GLN A 52 -10.563 -5.164 0.673 1.00 0.00 N ATOM 0 H GLN A 52 -5.351 -6.749 -1.623 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.958 -7.740 -2.627 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.092 -5.233 -1.211 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.340 -5.094 -2.433 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.328 -7.199 -1.048 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.425 -6.421 0.236 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.212 -5.760 1.423 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.321 -4.507 0.857 1.00 0.00 H new ATOM 718 N ARG A 53 -5.535 -6.261 -4.095 1.00 0.00 N ATOM 719 CA ARG A 53 -5.008 -5.797 -5.373 1.00 0.00 C ATOM 720 C ARG A 53 -5.324 -6.781 -6.495 1.00 0.00 C ATOM 721 O ARG A 53 -5.593 -6.378 -7.627 1.00 0.00 O ATOM 722 CB ARG A 53 -3.495 -5.590 -5.275 1.00 0.00 C ATOM 723 CG ARG A 53 -2.840 -5.250 -6.602 1.00 0.00 C ATOM 724 CD ARG A 53 -1.503 -5.956 -6.757 1.00 0.00 C ATOM 725 NE ARG A 53 -0.837 -5.602 -8.006 1.00 0.00 N ATOM 726 CZ ARG A 53 0.434 -5.885 -8.270 1.00 0.00 C ATOM 727 NH1 ARG A 53 1.172 -6.524 -7.373 1.00 0.00 N ATOM 728 NH2 ARG A 53 0.969 -5.529 -9.430 1.00 0.00 N ATOM 0 H ARG A 53 -4.825 -6.420 -3.380 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.490 -4.848 -5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.292 -4.790 -4.564 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.038 -6.495 -4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.501 -5.536 -7.420 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.694 -4.172 -6.672 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.858 -5.698 -5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.657 -7.035 -6.722 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.378 -5.109 -8.717 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.764 -6.799 -6.479 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.148 -6.741 -7.576 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.404 -5.037 -10.122 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.945 -5.748 -9.630 1.00 0.00 H new ATOM 742 N ASP A 54 -5.284 -8.070 -6.179 1.00 0.00 N ATOM 743 CA ASP A 54 -5.560 -9.106 -7.170 1.00 0.00 C ATOM 744 C ASP A 54 -6.601 -10.101 -6.661 1.00 0.00 C ATOM 745 O ASP A 54 -6.431 -10.704 -5.601 1.00 0.00 O ATOM 746 CB ASP A 54 -4.272 -9.845 -7.534 1.00 0.00 C ATOM 747 CG ASP A 54 -3.919 -9.703 -9.002 1.00 0.00 C ATOM 748 OD1 ASP A 54 -4.826 -9.401 -9.805 1.00 0.00 O ATOM 749 OD2 ASP A 54 -2.733 -9.893 -9.349 1.00 0.00 O ATOM 0 H ASP A 54 -5.064 -8.423 -5.248 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.962 -8.618 -8.058 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.452 -9.461 -6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.381 -10.902 -7.290 1.00 0.00 H new ATOM 754 N PRO A 55 -7.694 -10.287 -7.418 1.00 0.00 N ATOM 755 CA PRO A 55 -8.769 -11.218 -7.051 1.00 0.00 C ATOM 756 C PRO A 55 -8.289 -12.666 -7.011 1.00 0.00 C ATOM 757 O PRO A 55 -9.013 -13.560 -6.573 1.00 0.00 O ATOM 758 CB PRO A 55 -9.812 -11.036 -8.161 1.00 0.00 C ATOM 759 CG PRO A 55 -9.457 -9.752 -8.832 1.00 0.00 C ATOM 760 CD PRO A 55 -7.969 -9.610 -8.693 1.00 0.00 C ATOM 0 HA PRO A 55 -9.155 -11.011 -6.053 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.785 -11.868 -8.865 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.821 -10.999 -7.750 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.751 -9.766 -9.881 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.974 -8.913 -8.367 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.439 -10.079 -9.522 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.663 -8.564 -8.670 1.00 0.00 H new ATOM 768 N LEU A 56 -7.060 -12.887 -7.468 1.00 0.00 N ATOM 769 CA LEU A 56 -6.473 -14.217 -7.485 1.00 0.00 C ATOM 770 C LEU A 56 -5.336 -14.300 -6.473 1.00 0.00 C ATOM 771 O LEU A 56 -4.852 -15.382 -6.145 1.00 0.00 O ATOM 772 CB LEU A 56 -5.955 -14.545 -8.884 1.00 0.00 C ATOM 773 CG LEU A 56 -6.617 -15.747 -9.555 1.00 0.00 C ATOM 774 CD1 LEU A 56 -7.799 -15.303 -10.402 1.00 0.00 C ATOM 775 CD2 LEU A 56 -5.605 -16.503 -10.399 1.00 0.00 C ATOM 0 H LEU A 56 -6.450 -12.155 -7.833 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.239 -14.943 -7.215 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.094 -13.671 -9.520 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.882 -14.728 -8.824 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.988 -16.417 -8.779 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.257 -16.173 -10.872 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.533 -14.804 -9.769 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.455 -14.613 -11.173 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.091 -17.357 -10.871 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.206 -15.842 -11.168 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.791 -16.854 -9.764 1.00 0.00 H new ATOM 787 N LEU A 57 -4.916 -13.138 -5.984 1.00 0.00 N ATOM 788 CA LEU A 57 -3.842 -13.058 -5.008 1.00 0.00 C ATOM 789 C LEU A 57 -4.059 -14.055 -3.881 1.00 0.00 C ATOM 790 O LEU A 57 -5.018 -13.947 -3.117 1.00 0.00 O ATOM 791 CB LEU A 57 -3.756 -11.642 -4.445 1.00 0.00 C ATOM 792 CG LEU A 57 -2.393 -11.252 -3.880 1.00 0.00 C ATOM 793 CD1 LEU A 57 -1.936 -9.924 -4.461 1.00 0.00 C ATOM 794 CD2 LEU A 57 -2.450 -11.182 -2.362 1.00 0.00 C ATOM 0 H LEU A 57 -5.308 -12.235 -6.251 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.904 -13.304 -5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.020 -10.937 -5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.503 -11.534 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.669 -12.016 -4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.962 -9.662 -4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.859 -10.008 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.659 -9.148 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.471 -10.903 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.186 -10.437 -2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.734 -12.156 -1.963 1.00 0.00 H new ATOM 806 N CYS A 58 -3.164 -15.029 -3.785 1.00 0.00 N ATOM 807 CA CYS A 58 -3.262 -16.050 -2.753 1.00 0.00 C ATOM 808 C CYS A 58 -4.658 -16.664 -2.745 1.00 0.00 C ATOM 809 O CYS A 58 -5.086 -17.246 -1.748 1.00 0.00 O ATOM 810 CB CYS A 58 -2.934 -15.452 -1.385 1.00 0.00 C ATOM 811 SG CYS A 58 -1.286 -14.681 -1.298 1.00 0.00 S ATOM 0 H CYS A 58 -2.363 -15.133 -4.409 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.540 -16.837 -2.971 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.688 -14.706 -1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.999 -16.236 -0.631 1.00 0.00 H new ATOM 816 N ARG A 59 -5.357 -16.537 -3.869 1.00 0.00 N ATOM 817 CA ARG A 59 -6.699 -17.088 -3.999 1.00 0.00 C ATOM 818 C ARG A 59 -6.740 -18.503 -3.440 1.00 0.00 C ATOM 819 O ARG A 59 -7.757 -18.949 -2.908 1.00 0.00 O ATOM 820 CB ARG A 59 -7.127 -17.089 -5.468 1.00 0.00 C ATOM 821 CG ARG A 59 -8.632 -17.139 -5.668 1.00 0.00 C ATOM 822 CD ARG A 59 -9.040 -18.324 -6.529 1.00 0.00 C ATOM 823 NE ARG A 59 -10.323 -18.884 -6.117 1.00 0.00 N ATOM 824 CZ ARG A 59 -10.899 -19.923 -6.712 1.00 0.00 C ATOM 825 NH1 ARG A 59 -10.306 -20.511 -7.742 1.00 0.00 N ATOM 826 NH2 ARG A 59 -12.068 -20.375 -6.279 1.00 0.00 N ATOM 0 H ARG A 59 -5.015 -16.057 -4.702 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.391 -16.466 -3.432 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.735 -16.194 -5.952 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.675 -17.946 -5.968 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.127 -17.204 -4.699 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.969 -16.214 -6.136 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.099 -18.011 -7.571 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.272 -19.096 -6.471 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.805 -18.454 -5.328 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.407 -20.166 -8.078 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.749 -21.309 -8.198 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.527 -19.925 -5.487 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.508 -21.173 -6.738 1.00 0.00 H new ATOM 840 N GLY A 60 -5.615 -19.198 -3.558 1.00 0.00 N ATOM 841 CA GLY A 60 -5.515 -20.553 -3.056 1.00 0.00 C ATOM 842 C GLY A 60 -4.288 -20.740 -2.189 1.00 0.00 C ATOM 843 O GLY A 60 -3.820 -21.862 -1.993 1.00 0.00 O ATOM 0 H GLY A 60 -4.765 -18.843 -3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.408 -20.794 -2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.478 -21.250 -3.894 1.00 0.00 H new ATOM 847 N GLY A 61 -3.762 -19.632 -1.674 1.00 0.00 N ATOM 848 CA GLY A 61 -2.584 -19.692 -0.834 1.00 0.00 C ATOM 849 C GLY A 61 -2.700 -18.826 0.406 1.00 0.00 C ATOM 850 O GLY A 61 -3.775 -18.713 0.995 1.00 0.00 O ATOM 0 H GLY A 61 -4.133 -18.694 -1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.409 -20.725 -0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.715 -19.376 -1.412 1.00 0.00 H new ATOM 854 N VAL A 62 -1.587 -18.216 0.805 1.00 0.00 N ATOM 855 CA VAL A 62 -1.563 -17.359 1.984 1.00 0.00 C ATOM 856 C VAL A 62 -1.158 -15.938 1.615 1.00 0.00 C ATOM 857 O VAL A 62 -0.138 -15.724 0.962 1.00 0.00 O ATOM 858 CB VAL A 62 -0.590 -17.895 3.050 1.00 0.00 C ATOM 859 CG1 VAL A 62 -0.625 -17.019 4.292 1.00 0.00 C ATOM 860 CG2 VAL A 62 -0.920 -19.339 3.396 1.00 0.00 C ATOM 0 H VAL A 62 -0.690 -18.300 0.328 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.573 -17.356 2.395 1.00 0.00 H new ATOM 0 HB VAL A 62 0.420 -17.866 2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.069 -17.413 5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.335 -16.002 4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.634 -17.013 4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.222 -19.701 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.937 -19.397 3.785 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.838 -19.955 2.501 1.00 0.00 H new ATOM 870 N CYS A 63 -1.963 -14.968 2.033 1.00 0.00 N ATOM 871 CA CYS A 63 -1.683 -13.568 1.736 1.00 0.00 C ATOM 872 C CYS A 63 -1.028 -12.867 2.919 1.00 0.00 C ATOM 873 O CYS A 63 -1.709 -12.312 3.781 1.00 0.00 O ATOM 874 CB CYS A 63 -2.970 -12.839 1.349 1.00 0.00 C ATOM 875 SG CYS A 63 -2.694 -11.199 0.607 1.00 0.00 S ATOM 0 H CYS A 63 -2.812 -15.124 2.577 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.987 -13.542 0.898 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.528 -13.456 0.645 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.593 -12.725 2.236 1.00 0.00 H new ATOM 880 N HIS A 64 0.301 -12.887 2.947 1.00 0.00 N ATOM 881 CA HIS A 64 1.049 -12.240 4.018 1.00 0.00 C ATOM 882 C HIS A 64 1.348 -10.789 3.656 1.00 0.00 C ATOM 883 O HIS A 64 2.507 -10.374 3.614 1.00 0.00 O ATOM 884 CB HIS A 64 2.357 -12.987 4.285 1.00 0.00 C ATOM 885 CG HIS A 64 2.178 -14.458 4.494 1.00 0.00 C ATOM 886 ND1 HIS A 64 2.388 -15.392 3.501 1.00 0.00 N ATOM 887 CD2 HIS A 64 1.813 -15.160 5.594 1.00 0.00 C ATOM 888 CE1 HIS A 64 2.159 -16.602 3.980 1.00 0.00 C ATOM 889 NE2 HIS A 64 1.810 -16.488 5.247 1.00 0.00 N ATOM 0 H HIS A 64 0.880 -13.343 2.242 1.00 0.00 H new ATOM 0 HA HIS A 64 0.440 -12.262 4.921 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.034 -12.828 3.445 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.836 -12.559 5.166 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.675 -15.181 2.545 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.570 -14.751 6.563 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.243 -17.527 3.428 1.00 0.00 H new ATOM 898 N ASN A 65 0.294 -10.021 3.391 1.00 0.00 N ATOM 899 CA ASN A 65 0.444 -8.615 3.027 1.00 0.00 C ATOM 900 C ASN A 65 1.374 -7.895 3.997 1.00 0.00 C ATOM 901 O ASN A 65 1.018 -7.644 5.147 1.00 0.00 O ATOM 902 CB ASN A 65 -0.922 -7.924 2.998 1.00 0.00 C ATOM 903 CG ASN A 65 -0.807 -6.425 2.800 1.00 0.00 C ATOM 904 OD1 ASN A 65 0.020 -5.766 3.429 1.00 0.00 O ATOM 905 ND2 ASN A 65 -1.642 -5.879 1.923 1.00 0.00 N ATOM 0 H ASN A 65 -0.672 -10.348 3.421 1.00 0.00 H new ATOM 0 HA ASN A 65 0.886 -8.570 2.032 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.524 -8.349 2.195 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.448 -8.125 3.931 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.613 -4.874 1.749 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.312 -6.464 1.424 1.00 0.00 H new ATOM 912 N THR A 66 2.570 -7.567 3.519 1.00 0.00 N ATOM 913 CA THR A 66 3.559 -6.876 4.334 1.00 0.00 C ATOM 914 C THR A 66 3.680 -5.413 3.921 1.00 0.00 C ATOM 915 O THR A 66 2.792 -4.866 3.267 1.00 0.00 O ATOM 916 CB THR A 66 4.943 -7.545 4.226 1.00 0.00 C ATOM 917 OG1 THR A 66 5.774 -6.809 3.319 1.00 0.00 O ATOM 918 CG2 THR A 66 4.815 -8.985 3.751 1.00 0.00 C ATOM 0 H THR A 66 2.877 -7.770 2.568 1.00 0.00 H new ATOM 0 HA THR A 66 3.217 -6.934 5.367 1.00 0.00 H new ATOM 0 HB THR A 66 5.399 -7.546 5.216 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.652 -7.240 3.257 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.805 -9.435 3.683 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.208 -9.549 4.459 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.340 -9.004 2.770 1.00 0.00 H new ATOM 926 N GLU A 67 4.784 -4.782 4.308 1.00 0.00 N ATOM 927 CA GLU A 67 5.020 -3.382 3.978 1.00 0.00 C ATOM 928 C GLU A 67 5.765 -3.249 2.654 1.00 0.00 C ATOM 929 O GLU A 67 6.871 -3.766 2.498 1.00 0.00 O ATOM 930 CB GLU A 67 5.815 -2.700 5.093 1.00 0.00 C ATOM 931 CG GLU A 67 5.015 -1.661 5.862 1.00 0.00 C ATOM 932 CD GLU A 67 5.756 -1.139 7.079 1.00 0.00 C ATOM 933 OE1 GLU A 67 6.822 -1.697 7.408 1.00 0.00 O ATOM 934 OE2 GLU A 67 5.268 -0.171 7.700 1.00 0.00 O ATOM 0 H GLU A 67 5.529 -5.219 4.851 1.00 0.00 H new ATOM 0 HA GLU A 67 4.051 -2.893 3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.173 -3.459 5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.695 -2.223 4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.778 -0.828 5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.067 -2.098 6.178 1.00 0.00 H new ATOM 941 N GLY A 68 5.153 -2.549 1.704 1.00 0.00 N ATOM 942 CA GLY A 68 5.773 -2.358 0.405 1.00 0.00 C ATOM 943 C GLY A 68 5.697 -3.596 -0.466 1.00 0.00 C ATOM 944 O GLY A 68 6.502 -3.766 -1.382 1.00 0.00 O ATOM 0 H GLY A 68 4.238 -2.110 1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.286 -1.528 -0.107 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.818 -2.079 0.543 1.00 0.00 H new ATOM 948 N SER A 69 4.727 -4.460 -0.181 1.00 0.00 N ATOM 949 CA SER A 69 4.546 -5.691 -0.943 1.00 0.00 C ATOM 950 C SER A 69 3.805 -6.734 -0.114 1.00 0.00 C ATOM 951 O SER A 69 3.317 -6.440 0.978 1.00 0.00 O ATOM 952 CB SER A 69 5.898 -6.251 -1.389 1.00 0.00 C ATOM 953 OG SER A 69 6.909 -5.957 -0.441 1.00 0.00 O ATOM 0 H SER A 69 4.053 -4.330 0.574 1.00 0.00 H new ATOM 0 HA SER A 69 3.951 -5.456 -1.826 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.822 -7.330 -1.522 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.169 -5.829 -2.357 1.00 0.00 H new ATOM 0 HG SER A 69 7.421 -5.177 -0.740 1.00 0.00 H new ATOM 959 N TYR A 70 3.725 -7.953 -0.635 1.00 0.00 N ATOM 960 CA TYR A 70 3.046 -9.036 0.063 1.00 0.00 C ATOM 961 C TYR A 70 3.687 -10.379 -0.257 1.00 0.00 C ATOM 962 O TYR A 70 4.282 -10.559 -1.320 1.00 0.00 O ATOM 963 CB TYR A 70 1.560 -9.055 -0.300 1.00 0.00 C ATOM 964 CG TYR A 70 1.253 -9.740 -1.612 1.00 0.00 C ATOM 965 CD1 TYR A 70 1.629 -9.171 -2.821 1.00 0.00 C ATOM 966 CD2 TYR A 70 0.578 -10.953 -1.639 1.00 0.00 C ATOM 967 CE1 TYR A 70 1.342 -9.792 -4.022 1.00 0.00 C ATOM 968 CE2 TYR A 70 0.288 -11.581 -2.836 1.00 0.00 C ATOM 969 CZ TYR A 70 0.673 -10.997 -4.023 1.00 0.00 C ATOM 970 OH TYR A 70 0.385 -11.619 -5.217 1.00 0.00 O ATOM 0 H TYR A 70 4.122 -8.215 -1.537 1.00 0.00 H new ATOM 0 HA TYR A 70 3.143 -8.861 1.135 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.009 -9.555 0.496 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.195 -8.029 -0.344 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.154 -8.227 -2.823 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.275 -11.413 -0.710 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.640 -9.336 -4.954 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.238 -12.524 -2.841 1.00 0.00 H new ATOM 0 HH TYR A 70 0.675 -12.554 -5.177 1.00 0.00 H new ATOM 980 N ARG A 71 3.569 -11.319 0.674 1.00 0.00 N ATOM 981 CA ARG A 71 4.143 -12.646 0.495 1.00 0.00 C ATOM 982 C ARG A 71 3.052 -13.690 0.289 1.00 0.00 C ATOM 983 O ARG A 71 2.345 -14.062 1.225 1.00 0.00 O ATOM 984 CB ARG A 71 5.000 -13.018 1.706 1.00 0.00 C ATOM 985 CG ARG A 71 5.580 -11.816 2.432 1.00 0.00 C ATOM 986 CD ARG A 71 6.630 -11.111 1.590 1.00 0.00 C ATOM 987 NE ARG A 71 7.984 -11.542 1.928 1.00 0.00 N ATOM 988 CZ ARG A 71 9.075 -11.087 1.321 1.00 0.00 C ATOM 989 NH1 ARG A 71 8.971 -10.191 0.348 1.00 0.00 N ATOM 990 NH2 ARG A 71 10.271 -11.527 1.685 1.00 0.00 N ATOM 0 H ARG A 71 3.081 -11.186 1.560 1.00 0.00 H new ATOM 0 HA ARG A 71 4.771 -12.626 -0.396 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.396 -13.597 2.404 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.816 -13.663 1.379 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.780 -11.117 2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.023 -12.138 3.374 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.440 -11.308 0.535 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.546 -10.034 1.734 1.00 0.00 H new ATOM 0 HE ARG A 71 8.099 -12.231 2.672 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.052 -9.850 0.065 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.810 -9.843 -0.117 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.355 -12.216 2.432 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.107 -11.177 1.218 1.00 0.00 H new ATOM 1004 N CYS A 72 2.923 -14.158 -0.948 1.00 0.00 N ATOM 1005 CA CYS A 72 1.922 -15.160 -1.291 1.00 0.00 C ATOM 1006 C CYS A 72 2.508 -16.565 -1.184 1.00 0.00 C ATOM 1007 O CYS A 72 3.532 -16.868 -1.794 1.00 0.00 O ATOM 1008 CB CYS A 72 1.397 -14.913 -2.706 1.00 0.00 C ATOM 1009 SG CYS A 72 -0.346 -15.382 -2.953 1.00 0.00 S ATOM 0 H CYS A 72 3.502 -13.858 -1.732 1.00 0.00 H new ATOM 0 HA CYS A 72 1.095 -15.079 -0.586 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.514 -13.856 -2.945 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.014 -15.469 -3.412 1.00 0.00 H new ATOM 1014 N GLU A 73 1.855 -17.418 -0.400 1.00 0.00 N ATOM 1015 CA GLU A 73 2.318 -18.789 -0.208 1.00 0.00 C ATOM 1016 C GLU A 73 1.142 -19.755 -0.105 1.00 0.00 C ATOM 1017 O GLU A 73 0.337 -19.669 0.821 1.00 0.00 O ATOM 1018 CB GLU A 73 3.173 -18.878 1.053 1.00 0.00 C ATOM 1019 CG GLU A 73 4.269 -19.928 0.970 1.00 0.00 C ATOM 1020 CD GLU A 73 4.771 -20.355 2.335 1.00 0.00 C ATOM 1021 OE1 GLU A 73 4.117 -20.013 3.343 1.00 0.00 O ATOM 1022 OE2 GLU A 73 5.818 -21.033 2.397 1.00 0.00 O ATOM 0 H GLU A 73 1.004 -17.184 0.112 1.00 0.00 H new ATOM 0 HA GLU A 73 2.918 -19.070 -1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.626 -17.905 1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.529 -19.103 1.904 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.892 -20.800 0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.102 -19.534 0.388 1.00 0.00 H new ATOM 1029 N CYS A 74 1.050 -20.673 -1.061 1.00 0.00 N ATOM 1030 CA CYS A 74 -0.031 -21.650 -1.079 1.00 0.00 C ATOM 1031 C CYS A 74 -0.369 -22.125 0.345 1.00 0.00 C ATOM 1032 O CYS A 74 -1.473 -21.895 0.837 1.00 0.00 O ATOM 1033 CB CYS A 74 0.331 -22.825 -1.991 1.00 0.00 C ATOM 1034 SG CYS A 74 -1.012 -23.345 -3.109 1.00 0.00 S ATOM 0 H CYS A 74 1.711 -20.761 -1.833 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.924 -21.172 -1.482 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.201 -22.552 -2.589 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.623 -23.674 -1.373 1.00 0.00 H new ATOM 1039 N PRO A 75 0.575 -22.817 1.019 1.00 0.00 N ATOM 1040 CA PRO A 75 1.883 -23.112 0.490 1.00 0.00 C ATOM 1041 C PRO A 75 2.040 -24.582 0.046 1.00 0.00 C ATOM 1042 O PRO A 75 3.157 -25.055 -0.162 1.00 0.00 O ATOM 1043 CB PRO A 75 2.765 -22.849 1.709 1.00 0.00 C ATOM 1044 CG PRO A 75 1.895 -23.207 2.889 1.00 0.00 C ATOM 1045 CD PRO A 75 0.463 -23.294 2.400 1.00 0.00 C ATOM 0 HA PRO A 75 2.115 -22.528 -0.401 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.669 -23.457 1.683 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.083 -21.807 1.752 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.209 -24.157 3.321 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.986 -22.455 3.673 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.078 -24.313 2.448 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.207 -22.671 2.992 1.00 0.00 H new ATOM 1053 N PRO A 76 0.928 -25.354 -0.103 1.00 0.00 N ATOM 1054 CA PRO A 76 0.998 -26.760 -0.513 1.00 0.00 C ATOM 1055 C PRO A 76 2.014 -26.986 -1.622 1.00 0.00 C ATOM 1056 O PRO A 76 2.549 -26.032 -2.183 1.00 0.00 O ATOM 1057 CB PRO A 76 -0.412 -27.047 -1.016 1.00 0.00 C ATOM 1058 CG PRO A 76 -1.283 -26.185 -0.175 1.00 0.00 C ATOM 1059 CD PRO A 76 -0.495 -24.932 0.110 1.00 0.00 C ATOM 0 HA PRO A 76 1.317 -27.410 0.302 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.514 -26.805 -2.074 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.668 -28.101 -0.904 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.213 -25.950 -0.693 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.554 -26.692 0.751 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.777 -24.120 -0.560 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -0.660 -24.577 1.127 1.00 0.00 H new ATOM 1067 N GLY A 77 2.271 -28.252 -1.941 1.00 0.00 N ATOM 1068 CA GLY A 77 3.219 -28.572 -2.993 1.00 0.00 C ATOM 1069 C GLY A 77 2.870 -27.872 -4.289 1.00 0.00 C ATOM 1070 O GLY A 77 2.247 -28.458 -5.174 1.00 0.00 O ATOM 0 H GLY A 77 1.841 -29.060 -1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.222 -28.281 -2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.235 -29.650 -3.154 1.00 0.00 H new ATOM 1074 N HIS A 78 3.256 -26.606 -4.391 1.00 0.00 N ATOM 1075 CA HIS A 78 2.965 -25.811 -5.573 1.00 0.00 C ATOM 1076 C HIS A 78 3.994 -24.698 -5.746 1.00 0.00 C ATOM 1077 O HIS A 78 5.091 -24.758 -5.190 1.00 0.00 O ATOM 1078 CB HIS A 78 1.560 -25.214 -5.458 1.00 0.00 C ATOM 1079 CG HIS A 78 0.607 -25.723 -6.493 1.00 0.00 C ATOM 1080 ND1 HIS A 78 1.017 -26.283 -7.684 1.00 0.00 N ATOM 1081 CD2 HIS A 78 -0.747 -25.755 -6.512 1.00 0.00 C ATOM 1082 CE1 HIS A 78 -0.041 -26.635 -8.391 1.00 0.00 C ATOM 1083 NE2 HIS A 78 -1.123 -26.327 -7.702 1.00 0.00 N ATOM 0 H HIS A 78 3.773 -26.109 -3.666 1.00 0.00 H new ATOM 0 HA HIS A 78 3.014 -26.458 -6.449 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.160 -25.435 -4.468 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.627 -24.129 -5.540 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.407 -25.397 -5.736 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -0.024 -27.097 -9.367 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -2.084 -26.488 -8.005 1.00 0.00 H new ATOM 1092 N GLN A 79 3.626 -23.678 -6.513 1.00 0.00 N ATOM 1093 CA GLN A 79 4.501 -22.543 -6.756 1.00 0.00 C ATOM 1094 C GLN A 79 3.681 -21.265 -6.776 1.00 0.00 C ATOM 1095 O GLN A 79 3.321 -20.759 -7.838 1.00 0.00 O ATOM 1096 CB GLN A 79 5.245 -22.713 -8.083 1.00 0.00 C ATOM 1097 CG GLN A 79 6.456 -21.805 -8.222 1.00 0.00 C ATOM 1098 CD GLN A 79 6.327 -20.836 -9.382 1.00 0.00 C ATOM 1099 OE1 GLN A 79 6.584 -19.641 -9.239 1.00 0.00 O ATOM 1100 NE2 GLN A 79 5.927 -21.349 -10.540 1.00 0.00 N ATOM 0 H GLN A 79 2.721 -23.616 -6.979 1.00 0.00 H new ATOM 0 HA GLN A 79 5.238 -22.486 -5.955 1.00 0.00 H new ATOM 0 HB2 GLN A 79 5.566 -23.750 -8.180 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.556 -22.515 -8.904 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.593 -21.244 -7.298 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.349 -22.415 -8.360 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.725 -22.346 -10.613 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.822 -20.746 -11.356 1.00 0.00 H new ATOM 1109 N LEU A 80 3.364 -20.757 -5.592 1.00 0.00 N ATOM 1110 CA LEU A 80 2.561 -19.552 -5.483 1.00 0.00 C ATOM 1111 C LEU A 80 3.322 -18.330 -5.970 1.00 0.00 C ATOM 1112 O LEU A 80 4.379 -17.983 -5.443 1.00 0.00 O ATOM 1113 CB LEU A 80 2.087 -19.347 -4.042 1.00 0.00 C ATOM 1114 CG LEU A 80 1.308 -18.052 -3.781 1.00 0.00 C ATOM 1115 CD1 LEU A 80 0.783 -17.451 -5.079 1.00 0.00 C ATOM 1116 CD2 LEU A 80 0.161 -18.312 -2.817 1.00 0.00 C ATOM 0 H LEU A 80 3.650 -21.160 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 80 1.688 -19.679 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.458 -20.192 -3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.957 -19.366 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 80 1.992 -17.333 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.235 -16.534 -4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.620 -17.225 -5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.118 -18.163 -5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.383 -17.384 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.514 -19.053 -3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.557 -18.685 -1.873 1.00 0.00 H new ATOM 1128 N SER A 81 2.765 -17.683 -6.985 1.00 0.00 N ATOM 1129 CA SER A 81 3.367 -16.494 -7.565 1.00 0.00 C ATOM 1130 C SER A 81 3.800 -15.513 -6.480 1.00 0.00 C ATOM 1131 O SER A 81 3.015 -15.150 -5.605 1.00 0.00 O ATOM 1132 CB SER A 81 2.372 -15.824 -8.510 1.00 0.00 C ATOM 1133 OG SER A 81 2.708 -16.074 -9.864 1.00 0.00 O ATOM 0 H SER A 81 1.890 -17.966 -7.426 1.00 0.00 H new ATOM 0 HA SER A 81 4.254 -16.793 -8.123 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.367 -16.194 -8.307 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.359 -14.749 -8.328 1.00 0.00 H new ATOM 0 HG SER A 81 3.646 -16.352 -9.922 1.00 0.00 H new ATOM 1139 N PRO A 82 5.066 -15.073 -6.531 1.00 0.00 N ATOM 1140 CA PRO A 82 5.618 -14.130 -5.554 1.00 0.00 C ATOM 1141 C PRO A 82 4.797 -12.849 -5.454 1.00 0.00 C ATOM 1142 O PRO A 82 4.396 -12.441 -4.364 1.00 0.00 O ATOM 1143 CB PRO A 82 7.017 -13.826 -6.098 1.00 0.00 C ATOM 1144 CG PRO A 82 7.356 -14.996 -6.955 1.00 0.00 C ATOM 1145 CD PRO A 82 6.056 -15.465 -7.545 1.00 0.00 C ATOM 0 HA PRO A 82 5.620 -14.546 -4.547 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.025 -12.900 -6.672 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.738 -13.706 -5.289 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.061 -14.716 -7.737 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.827 -15.786 -6.369 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.856 -14.992 -8.507 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.055 -16.542 -7.713 1.00 0.00 H new ATOM 1153 N ASN A 83 4.552 -12.217 -6.597 1.00 0.00 N ATOM 1154 CA ASN A 83 3.780 -10.980 -6.633 1.00 0.00 C ATOM 1155 C ASN A 83 2.810 -10.972 -7.810 1.00 0.00 C ATOM 1156 O ASN A 83 2.352 -9.913 -8.238 1.00 0.00 O ATOM 1157 CB ASN A 83 4.716 -9.773 -6.720 1.00 0.00 C ATOM 1158 CG ASN A 83 5.375 -9.456 -5.392 1.00 0.00 C ATOM 1159 OD1 ASN A 83 6.585 -9.245 -5.321 1.00 0.00 O ATOM 1160 ND2 ASN A 83 4.578 -9.421 -4.330 1.00 0.00 N ATOM 0 H ASN A 83 4.876 -12.540 -7.509 1.00 0.00 H new ATOM 0 HA ASN A 83 3.201 -10.918 -5.712 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.485 -9.966 -7.467 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.153 -8.904 -7.060 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.964 -9.213 -3.409 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.580 -9.602 -4.435 1.00 0.00 H new ATOM 1167 N ILE A 84 2.499 -12.156 -8.327 1.00 0.00 N ATOM 1168 CA ILE A 84 1.579 -12.274 -9.452 1.00 0.00 C ATOM 1169 C ILE A 84 0.150 -12.474 -8.963 1.00 0.00 C ATOM 1170 O ILE A 84 -0.807 -12.081 -9.631 1.00 0.00 O ATOM 1171 CB ILE A 84 1.965 -13.436 -10.387 1.00 0.00 C ATOM 1172 CG1 ILE A 84 3.482 -13.654 -10.378 1.00 0.00 C ATOM 1173 CG2 ILE A 84 1.474 -13.162 -11.800 1.00 0.00 C ATOM 1174 CD1 ILE A 84 4.284 -12.374 -10.275 1.00 0.00 C ATOM 0 H ILE A 84 2.869 -13.044 -7.987 1.00 0.00 H new ATOM 0 HA ILE A 84 1.644 -11.342 -10.014 1.00 0.00 H new ATOM 0 HB ILE A 84 1.487 -14.346 -10.024 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.741 -14.302 -9.541 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.769 -14.179 -11.289 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.754 -13.991 -12.450 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.389 -13.056 -11.794 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.927 -12.242 -12.170 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.348 -12.610 -10.275 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.055 -11.732 -11.126 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.027 -11.857 -9.351 1.00 0.00 H new ATOM 1186 N SER A 85 0.013 -13.074 -7.782 1.00 0.00 N ATOM 1187 CA SER A 85 -1.298 -13.309 -7.186 1.00 0.00 C ATOM 1188 C SER A 85 -1.962 -14.569 -7.745 1.00 0.00 C ATOM 1189 O SER A 85 -2.533 -14.538 -8.835 1.00 0.00 O ATOM 1190 CB SER A 85 -2.199 -12.092 -7.417 1.00 0.00 C ATOM 1191 OG SER A 85 -3.287 -12.411 -8.267 1.00 0.00 O ATOM 0 H SER A 85 0.796 -13.406 -7.219 1.00 0.00 H new ATOM 0 HA SER A 85 -1.155 -13.462 -6.116 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.576 -11.729 -6.461 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.616 -11.283 -7.857 1.00 0.00 H new ATOM 0 HG SER A 85 -2.963 -12.931 -9.032 1.00 0.00 H new ATOM 1197 N ALA A 86 -1.890 -15.662 -6.968 1.00 0.00 N ATOM 1198 CA ALA A 86 -2.487 -16.960 -7.333 1.00 0.00 C ATOM 1199 C ALA A 86 -1.473 -18.097 -7.194 1.00 0.00 C ATOM 1200 O ALA A 86 -0.337 -17.981 -7.653 1.00 0.00 O ATOM 1201 CB ALA A 86 -3.042 -16.947 -8.750 1.00 0.00 C ATOM 0 H ALA A 86 -1.415 -15.672 -6.066 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.310 -17.130 -6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.473 -17.921 -8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.813 -16.181 -8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.238 -16.730 -9.454 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.891 -19.205 -6.574 1.00 0.00 N ATOM 1208 CA CYS A 87 -1.007 -20.359 -6.405 1.00 0.00 C ATOM 1209 C CYS A 87 -0.821 -21.079 -7.739 1.00 0.00 C ATOM 1210 O CYS A 87 -1.767 -21.210 -8.514 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.559 -21.334 -5.355 1.00 0.00 C ATOM 1212 SG CYS A 87 -0.408 -22.691 -4.934 1.00 0.00 S ATOM 0 H CYS A 87 -2.826 -19.326 -6.185 1.00 0.00 H new ATOM 0 HA CYS A 87 -0.041 -19.994 -6.055 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.800 -20.779 -4.448 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.491 -21.762 -5.724 1.00 0.00 H new ATOM 1217 N ILE A 88 0.400 -21.539 -8.010 1.00 0.00 N ATOM 1218 CA ILE A 88 0.684 -22.234 -9.261 1.00 0.00 C ATOM 1219 C ILE A 88 1.001 -23.705 -9.018 1.00 0.00 C ATOM 1220 O ILE A 88 0.509 -24.552 -9.793 1.00 0.00 O ATOM 1221 CB ILE A 88 1.859 -21.583 -10.014 1.00 0.00 C ATOM 1222 CG1 ILE A 88 1.734 -20.059 -9.984 1.00 0.00 C ATOM 1223 CG2 ILE A 88 1.911 -22.086 -11.449 1.00 0.00 C ATOM 1224 CD1 ILE A 88 2.725 -19.354 -10.883 1.00 0.00 C ATOM 1225 OXT ILE A 88 1.742 -23.998 -8.058 1.00 0.00 O ATOM 0 H ILE A 88 1.201 -21.443 -7.385 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.215 -22.158 -9.872 1.00 0.00 H new ATOM 0 HB ILE A 88 2.788 -21.862 -9.516 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.723 -19.779 -10.281 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.873 -19.711 -8.960 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.746 -21.617 -11.969 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.044 -23.168 -11.451 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.980 -21.834 -11.957 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.579 -18.276 -10.811 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.740 -19.604 -10.573 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.572 -19.673 -11.914 1.00 0.00 H new TER 1237 ILE A 88 HETATM 1238 CA CA A 101 -2.178 17.336 -14.041 1.00 0.00 CA HETATM 1239 CA CA A 102 0.718 -3.868 2.049 1.00 0.00 CA