USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 760 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 MET CE :methyl -169:sc= -0.424 (180deg=-0.173) USER MOD Set 1.2: A 77 MET CE :methyl -152:sc= -6.28! (180deg=-8.36!) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -116:sc= 0.268 (180deg=-0.0134) USER MOD Set 2.2: A 80 THR OG1 : rot -88:sc= 1.17 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= -0.115 (180deg=-0.719) USER MOD Single : A 2 LYS NZ :NH3+ -141:sc= 0.695 (180deg=0.108) USER MOD Single : A 8 THR OG1 : rot 170:sc= -0.46 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -143:sc= -0.412 (180deg=-1.61!) USER MOD Single : A 14 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 20 SER OG : rot 80:sc= 0.428 USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= -0.769 (180deg=-0.774) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.223 F(o=-0.83,f=-0.22) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.107) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 166:sc= 1.11 (180deg=0.956) USER MOD Single : A 56 GLN : amide:sc= -0.617 K(o=-0.62,f=-1.4) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc=-0.00514 USER MOD Single : A 70 GLN : amide:sc= -7.75! C(o=-7.7!,f=-11!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 87:sc= 0.558 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 90 LYS NZ :NH3+ 155:sc= -0.0606 (180deg=-0.39) USER MOD Single : A 91 GLN :FLIP amide:sc= 0.043 F(o=-1.6!,f=0.043) USER MOD Single : B 101 SER OG : rot 47:sc= 0.392 USER MOD Single : B 102 THR OG1 : rot -87:sc= -1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.588 6.495 -21.249 1.00 0.00 N ATOM 2 CA MET A 1 -0.983 6.891 -19.868 1.00 0.00 C ATOM 3 C MET A 1 -2.400 6.412 -19.538 1.00 0.00 C ATOM 4 O MET A 1 -3.376 7.138 -19.739 1.00 0.00 O ATOM 5 CB MET A 1 -0.878 8.422 -19.731 1.00 0.00 C ATOM 6 CG MET A 1 -1.756 9.201 -20.702 1.00 0.00 C ATOM 7 SD MET A 1 -1.114 10.851 -21.049 1.00 0.00 S ATOM 8 CE MET A 1 -2.629 11.806 -21.086 1.00 0.00 C ATOM 0 H1 MET A 1 -0.168 7.311 -21.738 1.00 0.00 H new ATOM 0 H2 MET A 1 0.108 5.724 -21.203 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.428 6.173 -21.771 1.00 0.00 H new ATOM 0 HA MET A 1 -0.307 6.417 -19.157 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.146 8.703 -18.712 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.160 8.718 -19.881 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.841 8.645 -21.635 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.761 9.286 -20.289 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.396 12.851 -21.291 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.283 11.420 -21.868 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.131 11.729 -20.122 1.00 0.00 H new ATOM 20 N LYS A 2 -2.506 5.184 -19.028 1.00 0.00 N ATOM 21 CA LYS A 2 -3.806 4.614 -18.667 1.00 0.00 C ATOM 22 C LYS A 2 -4.419 5.372 -17.488 1.00 0.00 C ATOM 23 O LYS A 2 -3.744 6.173 -16.839 1.00 0.00 O ATOM 24 CB LYS A 2 -3.668 3.129 -18.311 1.00 0.00 C ATOM 25 CG LYS A 2 -2.918 2.312 -19.354 1.00 0.00 C ATOM 26 CD LYS A 2 -3.199 0.823 -19.211 1.00 0.00 C ATOM 27 CE LYS A 2 -2.448 0.221 -18.031 1.00 0.00 C ATOM 28 NZ LYS A 2 -3.351 -0.080 -16.883 1.00 0.00 N ATOM 0 H LYS A 2 -1.712 4.567 -18.856 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.464 4.710 -19.530 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.152 3.041 -17.355 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.663 2.704 -18.177 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.207 2.643 -20.352 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.847 2.491 -19.256 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.270 0.665 -19.080 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.911 0.308 -20.127 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.950 -0.695 -18.349 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.670 0.912 -17.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.869 0.153 -15.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.219 0.487 -16.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.596 -1.091 -16.890 1.00 0.00 H new ATOM 42 N GLU A 3 -5.698 5.113 -17.214 1.00 0.00 N ATOM 43 CA GLU A 3 -6.395 5.769 -16.110 1.00 0.00 C ATOM 44 C GLU A 3 -6.769 4.760 -15.023 1.00 0.00 C ATOM 45 O GLU A 3 -7.870 4.205 -15.031 1.00 0.00 O ATOM 46 CB GLU A 3 -7.652 6.482 -16.621 1.00 0.00 C ATOM 47 CG GLU A 3 -7.840 7.875 -16.040 1.00 0.00 C ATOM 48 CD GLU A 3 -9.191 8.056 -15.375 1.00 0.00 C ATOM 49 OE1 GLU A 3 -10.150 8.443 -16.075 1.00 0.00 O ATOM 50 OE2 GLU A 3 -9.290 7.811 -14.154 1.00 0.00 O ATOM 0 H GLU A 3 -6.271 4.454 -17.741 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.721 6.507 -15.676 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.602 6.554 -17.707 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -8.526 5.876 -16.381 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.053 8.069 -15.312 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.729 8.613 -16.834 1.00 0.00 H new ATOM 57 N PRO A 4 -5.847 4.501 -14.072 1.00 0.00 N ATOM 58 CA PRO A 4 -6.080 3.549 -12.976 1.00 0.00 C ATOM 59 C PRO A 4 -7.226 3.978 -12.059 1.00 0.00 C ATOM 60 O PRO A 4 -7.841 5.027 -12.264 1.00 0.00 O ATOM 61 CB PRO A 4 -4.753 3.548 -12.203 1.00 0.00 C ATOM 62 CG PRO A 4 -3.751 4.125 -13.144 1.00 0.00 C ATOM 63 CD PRO A 4 -4.506 5.104 -13.992 1.00 0.00 C ATOM 0 HA PRO A 4 -6.369 2.568 -13.354 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -4.827 4.144 -11.293 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.474 2.538 -11.901 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -2.944 4.618 -12.602 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.296 3.347 -13.756 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -4.534 6.095 -13.538 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.054 5.218 -14.977 1.00 0.00 H new ATOM 71 N GLU A 5 -7.505 3.159 -11.045 1.00 0.00 N ATOM 72 CA GLU A 5 -8.572 3.449 -10.095 1.00 0.00 C ATOM 73 C GLU A 5 -8.055 3.379 -8.664 1.00 0.00 C ATOM 74 O GLU A 5 -8.011 2.307 -8.055 1.00 0.00 O ATOM 75 CB GLU A 5 -9.734 2.474 -10.286 1.00 0.00 C ATOM 76 CG GLU A 5 -11.011 2.899 -9.575 1.00 0.00 C ATOM 77 CD GLU A 5 -12.265 2.462 -10.309 1.00 0.00 C ATOM 78 OE1 GLU A 5 -12.438 1.241 -10.519 1.00 0.00 O ATOM 79 OE2 GLU A 5 -13.076 3.339 -10.670 1.00 0.00 O ATOM 0 H GLU A 5 -7.005 2.289 -10.863 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.929 4.462 -10.282 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.939 2.371 -11.352 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.436 1.491 -9.922 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.019 2.479 -8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.018 3.984 -9.467 1.00 0.00 H new ATOM 86 N ILE A 6 -7.665 4.533 -8.137 1.00 0.00 N ATOM 87 CA ILE A 6 -7.147 4.622 -6.777 1.00 0.00 C ATOM 88 C ILE A 6 -8.286 4.732 -5.764 1.00 0.00 C ATOM 89 O ILE A 6 -9.008 5.730 -5.735 1.00 0.00 O ATOM 90 CB ILE A 6 -6.204 5.831 -6.610 1.00 0.00 C ATOM 91 CG1 ILE A 6 -5.059 5.761 -7.625 1.00 0.00 C ATOM 92 CG2 ILE A 6 -5.662 5.894 -5.187 1.00 0.00 C ATOM 93 CD1 ILE A 6 -4.802 7.077 -8.326 1.00 0.00 C ATOM 0 H ILE A 6 -7.698 5.424 -8.633 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.584 3.707 -6.591 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.772 6.742 -6.798 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.149 5.445 -7.115 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.288 4.999 -8.370 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.999 6.753 -5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.491 5.993 -4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.108 4.981 -4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.979 6.959 -9.031 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.699 7.384 -8.863 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.542 7.837 -7.589 1.00 0.00 H new ATOM 105 N ILE A 7 -8.435 3.701 -4.934 1.00 0.00 N ATOM 106 CA ILE A 7 -9.480 3.676 -3.915 1.00 0.00 C ATOM 107 C ILE A 7 -8.884 3.464 -2.523 1.00 0.00 C ATOM 108 O ILE A 7 -7.939 2.690 -2.354 1.00 0.00 O ATOM 109 CB ILE A 7 -10.525 2.572 -4.198 1.00 0.00 C ATOM 110 CG1 ILE A 7 -9.870 1.188 -4.180 1.00 0.00 C ATOM 111 CG2 ILE A 7 -11.212 2.820 -5.533 1.00 0.00 C ATOM 112 CD1 ILE A 7 -10.511 0.230 -3.200 1.00 0.00 C ATOM 0 H ILE A 7 -7.843 2.870 -4.948 1.00 0.00 H new ATOM 0 HA ILE A 7 -9.978 4.645 -3.949 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.278 2.603 -3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.919 0.759 -5.181 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.814 1.297 -3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -11.944 2.034 -5.717 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -11.715 3.787 -5.509 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.469 2.817 -6.331 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.997 -0.730 -3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.439 0.638 -2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.560 0.091 -3.461 1.00 0.00 H new ATOM 124 N THR A 8 -9.440 4.159 -1.530 1.00 0.00 N ATOM 125 CA THR A 8 -8.962 4.052 -0.151 1.00 0.00 C ATOM 126 C THR A 8 -9.921 3.221 0.701 1.00 0.00 C ATOM 127 O THR A 8 -11.142 3.316 0.554 1.00 0.00 O ATOM 128 CB THR A 8 -8.786 5.449 0.458 1.00 0.00 C ATOM 129 OG1 THR A 8 -7.989 6.263 -0.387 1.00 0.00 O ATOM 130 CG2 THR A 8 -8.143 5.435 1.833 1.00 0.00 C ATOM 0 H THR A 8 -10.222 4.802 -1.655 1.00 0.00 H new ATOM 0 HA THR A 8 -7.997 3.546 -0.165 1.00 0.00 H new ATOM 0 HB THR A 8 -9.795 5.850 0.559 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.018 7.190 -0.071 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.050 6.457 2.202 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.763 4.857 2.519 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.154 4.982 1.768 1.00 0.00 H new ATOM 138 N VAL A 9 -9.355 2.404 1.593 1.00 0.00 N ATOM 139 CA VAL A 9 -10.149 1.552 2.477 1.00 0.00 C ATOM 140 C VAL A 9 -9.888 1.882 3.948 1.00 0.00 C ATOM 141 O VAL A 9 -8.739 1.918 4.393 1.00 0.00 O ATOM 142 CB VAL A 9 -9.861 0.053 2.229 1.00 0.00 C ATOM 143 CG1 VAL A 9 -8.411 -0.289 2.550 1.00 0.00 C ATOM 144 CG2 VAL A 9 -10.813 -0.815 3.041 1.00 0.00 C ATOM 0 H VAL A 9 -8.347 2.316 1.721 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.196 1.751 2.248 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.025 -0.152 1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.238 -1.349 2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.749 0.302 1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.207 -0.064 3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.596 -1.867 2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.685 -0.601 4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.841 -0.599 2.749 1.00 0.00 H new ATOM 154 N THR A 10 -10.964 2.120 4.696 1.00 0.00 N ATOM 155 CA THR A 10 -10.859 2.444 6.116 1.00 0.00 C ATOM 156 C THR A 10 -11.135 1.209 6.973 1.00 0.00 C ATOM 157 O THR A 10 -12.287 0.800 7.135 1.00 0.00 O ATOM 158 CB THR A 10 -11.840 3.567 6.476 1.00 0.00 C ATOM 159 OG1 THR A 10 -11.797 4.608 5.512 1.00 0.00 O ATOM 160 CG2 THR A 10 -11.573 4.183 7.833 1.00 0.00 C ATOM 0 H THR A 10 -11.920 2.094 4.341 1.00 0.00 H new ATOM 0 HA THR A 10 -9.843 2.783 6.318 1.00 0.00 H new ATOM 0 HB THR A 10 -12.822 3.094 6.496 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.432 5.312 5.762 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.302 4.970 8.025 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.655 3.416 8.603 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.569 4.607 7.849 1.00 0.00 H new ATOM 168 N LEU A 11 -10.071 0.613 7.515 1.00 0.00 N ATOM 169 CA LEU A 11 -10.201 -0.581 8.350 1.00 0.00 C ATOM 170 C LEU A 11 -9.186 -0.575 9.491 1.00 0.00 C ATOM 171 O LEU A 11 -8.087 -0.038 9.353 1.00 0.00 O ATOM 172 CB LEU A 11 -10.022 -1.841 7.500 1.00 0.00 C ATOM 173 CG LEU A 11 -11.262 -2.265 6.714 1.00 0.00 C ATOM 174 CD1 LEU A 11 -10.892 -3.253 5.618 1.00 0.00 C ATOM 175 CD2 LEU A 11 -12.304 -2.862 7.649 1.00 0.00 C ATOM 0 H LEU A 11 -9.112 0.937 7.391 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.200 -0.577 8.785 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.204 -1.676 6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.723 -2.662 8.151 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.690 -1.381 6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.789 -3.542 5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.183 -2.788 4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.438 -4.138 6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.181 -3.159 7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.886 -3.735 8.150 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.592 -2.120 8.394 1.00 0.00 H new ATOM 187 N LYS A 12 -9.564 -1.178 10.618 1.00 0.00 N ATOM 188 CA LYS A 12 -8.690 -1.245 11.789 1.00 0.00 C ATOM 189 C LYS A 12 -7.750 -2.450 11.710 1.00 0.00 C ATOM 190 O LYS A 12 -7.930 -3.336 10.875 1.00 0.00 O ATOM 191 CB LYS A 12 -9.524 -1.318 13.071 1.00 0.00 C ATOM 192 CG LYS A 12 -9.751 0.033 13.732 1.00 0.00 C ATOM 193 CD LYS A 12 -9.786 -0.084 15.249 1.00 0.00 C ATOM 194 CE LYS A 12 -8.389 -0.233 15.833 1.00 0.00 C ATOM 195 NZ LYS A 12 -8.021 -1.660 16.062 1.00 0.00 N ATOM 0 H LYS A 12 -10.471 -1.628 10.745 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.084 -0.339 11.806 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.490 -1.766 12.840 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.027 -1.980 13.780 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.958 0.720 13.438 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.690 0.459 13.378 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.265 0.799 15.671 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.393 -0.943 15.534 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.665 0.223 15.158 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.332 0.311 16.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.462 -1.739 16.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.885 -2.231 16.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.458 -2.007 15.259 1.00 0.00 H new ATOM 209 N LYS A 13 -6.746 -2.470 12.588 1.00 0.00 N ATOM 210 CA LYS A 13 -5.775 -3.562 12.620 1.00 0.00 C ATOM 211 C LYS A 13 -6.365 -4.805 13.282 1.00 0.00 C ATOM 212 O LYS A 13 -6.840 -4.748 14.418 1.00 0.00 O ATOM 213 CB LYS A 13 -4.508 -3.136 13.368 1.00 0.00 C ATOM 214 CG LYS A 13 -3.870 -1.866 12.826 1.00 0.00 C ATOM 215 CD LYS A 13 -3.346 -0.980 13.947 1.00 0.00 C ATOM 216 CE LYS A 13 -1.832 -0.831 13.890 1.00 0.00 C ATOM 217 NZ LYS A 13 -1.382 -0.123 12.658 1.00 0.00 N ATOM 0 H LYS A 13 -6.585 -1.743 13.285 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.519 -3.804 11.589 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.751 -2.988 14.420 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.780 -3.946 13.320 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.052 -2.127 12.155 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.602 -1.313 12.237 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.811 0.004 13.880 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.633 -1.403 14.909 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.489 -0.283 14.768 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.370 -1.817 13.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.809 -0.767 12.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.212 0.188 12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.811 0.705 12.922 1.00 0.00 H new ATOM 231 N GLN A 14 -6.324 -5.927 12.565 1.00 0.00 N ATOM 232 CA GLN A 14 -6.844 -7.191 13.079 1.00 0.00 C ATOM 233 C GLN A 14 -5.738 -8.245 13.118 1.00 0.00 C ATOM 234 O GLN A 14 -5.578 -9.026 12.177 1.00 0.00 O ATOM 235 CB GLN A 14 -8.014 -7.680 12.218 1.00 0.00 C ATOM 236 CG GLN A 14 -9.090 -8.410 13.010 1.00 0.00 C ATOM 237 CD GLN A 14 -9.287 -9.846 12.555 1.00 0.00 C ATOM 238 OE1 GLN A 14 -10.397 -10.253 12.211 1.00 0.00 O ATOM 239 NE2 GLN A 14 -8.209 -10.623 12.550 1.00 0.00 N ATOM 0 H GLN A 14 -5.935 -5.985 11.624 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.206 -7.027 14.094 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.464 -6.826 11.712 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.631 -8.344 11.443 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.824 -8.402 14.067 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -10.033 -7.871 12.915 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.307 -10.246 12.843 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.283 -11.596 12.253 1.00 0.00 H new ATOM 248 N ASN A 15 -4.971 -8.250 14.210 1.00 0.00 N ATOM 249 CA ASN A 15 -3.865 -9.194 14.377 1.00 0.00 C ATOM 250 C ASN A 15 -2.847 -9.052 13.240 1.00 0.00 C ATOM 251 O ASN A 15 -2.244 -10.036 12.804 1.00 0.00 O ATOM 252 CB ASN A 15 -4.394 -10.634 14.445 1.00 0.00 C ATOM 253 CG ASN A 15 -4.677 -11.084 15.867 1.00 0.00 C ATOM 254 OD1 ASN A 15 -5.314 -10.369 16.642 1.00 0.00 O ATOM 255 ND2 ASN A 15 -4.204 -12.274 16.220 1.00 0.00 N ATOM 0 H ASN A 15 -5.096 -7.609 14.994 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.361 -8.963 15.315 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.307 -10.710 13.855 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.665 -11.307 13.993 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.364 -12.627 17.164 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.681 -12.835 15.547 1.00 0.00 H new ATOM 262 N GLY A 16 -2.661 -7.817 12.763 1.00 0.00 N ATOM 263 CA GLY A 16 -1.720 -7.565 11.685 1.00 0.00 C ATOM 264 C GLY A 16 -2.391 -7.502 10.326 1.00 0.00 C ATOM 265 O GLY A 16 -3.487 -8.035 10.141 1.00 0.00 O ATOM 0 H GLY A 16 -3.147 -6.989 13.107 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.201 -6.625 11.873 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.964 -8.350 11.677 1.00 0.00 H new ATOM 269 N MET A 17 -1.729 -6.847 9.371 1.00 0.00 N ATOM 270 CA MET A 17 -2.267 -6.717 8.017 1.00 0.00 C ATOM 271 C MET A 17 -2.075 -8.014 7.235 1.00 0.00 C ATOM 272 O MET A 17 -3.013 -8.514 6.612 1.00 0.00 O ATOM 273 CB MET A 17 -1.600 -5.553 7.267 1.00 0.00 C ATOM 274 CG MET A 17 -1.411 -4.301 8.113 1.00 0.00 C ATOM 275 SD MET A 17 -2.018 -2.810 7.297 1.00 0.00 S ATOM 276 CE MET A 17 -0.532 -2.244 6.472 1.00 0.00 C ATOM 0 H MET A 17 -0.823 -6.400 9.510 1.00 0.00 H new ATOM 0 HA MET A 17 -3.333 -6.509 8.103 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.628 -5.881 6.899 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.204 -5.302 6.395 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.931 -4.428 9.063 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.352 -4.179 8.343 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.690 -1.236 6.088 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.297 -2.237 7.180 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.297 -2.914 5.645 1.00 0.00 H new ATOM 286 N GLY A 18 -0.855 -8.552 7.274 1.00 0.00 N ATOM 287 CA GLY A 18 -0.557 -9.786 6.569 1.00 0.00 C ATOM 288 C GLY A 18 -0.587 -9.617 5.063 1.00 0.00 C ATOM 289 O GLY A 18 -1.534 -10.047 4.404 1.00 0.00 O ATOM 0 H GLY A 18 -0.067 -8.152 7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.427 -10.145 6.871 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.278 -10.550 6.860 1.00 0.00 H new ATOM 293 N LEU A 19 0.450 -8.986 4.519 1.00 0.00 N ATOM 294 CA LEU A 19 0.550 -8.759 3.078 1.00 0.00 C ATOM 295 C LEU A 19 1.997 -8.462 2.674 1.00 0.00 C ATOM 296 O LEU A 19 2.869 -8.322 3.530 1.00 0.00 O ATOM 297 CB LEU A 19 -0.371 -7.609 2.656 1.00 0.00 C ATOM 298 CG LEU A 19 0.020 -6.237 3.202 1.00 0.00 C ATOM 299 CD1 LEU A 19 0.784 -5.445 2.150 1.00 0.00 C ATOM 300 CD2 LEU A 19 -1.211 -5.471 3.666 1.00 0.00 C ATOM 0 H LEU A 19 1.237 -8.621 5.056 1.00 0.00 H new ATOM 0 HA LEU A 19 0.233 -9.667 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.389 -7.559 1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.386 -7.838 2.982 1.00 0.00 H new ATOM 0 HG LEU A 19 0.672 -6.382 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.055 -4.470 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.688 -5.987 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.156 -5.310 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.910 -4.497 4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.892 -5.334 2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.714 -6.033 4.453 1.00 0.00 H new ATOM 312 N SER A 20 2.243 -8.362 1.368 1.00 0.00 N ATOM 313 CA SER A 20 3.586 -8.076 0.857 1.00 0.00 C ATOM 314 C SER A 20 3.573 -6.841 -0.041 1.00 0.00 C ATOM 315 O SER A 20 2.567 -6.555 -0.692 1.00 0.00 O ATOM 316 CB SER A 20 4.130 -9.279 0.084 1.00 0.00 C ATOM 317 OG SER A 20 3.894 -10.488 0.785 1.00 0.00 O ATOM 0 H SER A 20 1.532 -8.474 0.645 1.00 0.00 H new ATOM 0 HA SER A 20 4.237 -7.878 1.708 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.659 -9.327 -0.898 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.200 -9.155 -0.082 1.00 0.00 H new ATOM 0 HG SER A 20 2.967 -10.772 0.645 1.00 0.00 H new ATOM 323 N ILE A 21 4.688 -6.105 -0.069 1.00 0.00 N ATOM 324 CA ILE A 21 4.780 -4.894 -0.888 1.00 0.00 C ATOM 325 C ILE A 21 6.123 -4.782 -1.614 1.00 0.00 C ATOM 326 O ILE A 21 7.136 -5.325 -1.162 1.00 0.00 O ATOM 327 CB ILE A 21 4.569 -3.623 -0.037 1.00 0.00 C ATOM 328 CG1 ILE A 21 5.549 -3.592 1.140 1.00 0.00 C ATOM 329 CG2 ILE A 21 3.130 -3.546 0.457 1.00 0.00 C ATOM 330 CD1 ILE A 21 5.864 -2.196 1.634 1.00 0.00 C ATOM 0 H ILE A 21 5.532 -6.324 0.461 1.00 0.00 H new ATOM 0 HA ILE A 21 3.987 -4.975 -1.632 1.00 0.00 H new ATOM 0 HB ILE A 21 4.764 -2.753 -0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.133 -4.174 1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.477 -4.080 0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.998 -2.644 1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.453 -3.517 -0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.907 -4.422 1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.564 -2.254 2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.310 -1.616 0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.945 -1.711 1.965 1.00 0.00 H new ATOM 342 N VAL A 22 6.117 -4.059 -2.739 1.00 0.00 N ATOM 343 CA VAL A 22 7.323 -3.850 -3.540 1.00 0.00 C ATOM 344 C VAL A 22 7.311 -2.476 -4.212 1.00 0.00 C ATOM 345 O VAL A 22 6.302 -2.060 -4.784 1.00 0.00 O ATOM 346 CB VAL A 22 7.475 -4.927 -4.636 1.00 0.00 C ATOM 347 CG1 VAL A 22 8.753 -4.717 -5.439 1.00 0.00 C ATOM 348 CG2 VAL A 22 7.443 -6.322 -4.036 1.00 0.00 C ATOM 0 H VAL A 22 5.284 -3.607 -3.115 1.00 0.00 H new ATOM 0 HA VAL A 22 8.164 -3.916 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 22 6.629 -4.829 -5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.834 -5.490 -6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.727 -3.737 -5.915 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.614 -4.774 -4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.552 -7.062 -4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.261 -6.431 -3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.493 -6.476 -3.524 1.00 0.00 H new ATOM 358 N ALA A 23 8.447 -1.789 -4.145 1.00 0.00 N ATOM 359 CA ALA A 23 8.595 -0.467 -4.752 1.00 0.00 C ATOM 360 C ALA A 23 9.065 -0.581 -6.204 1.00 0.00 C ATOM 361 O ALA A 23 9.854 -1.468 -6.538 1.00 0.00 O ATOM 362 CB ALA A 23 9.575 0.373 -3.945 1.00 0.00 C ATOM 0 H ALA A 23 9.285 -2.128 -3.673 1.00 0.00 H new ATOM 0 HA ALA A 23 7.621 0.022 -4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.678 1.355 -4.406 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.204 0.487 -2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.546 -0.121 -3.924 1.00 0.00 H new ATOM 368 N ALA A 24 8.579 0.319 -7.063 1.00 0.00 N ATOM 369 CA ALA A 24 8.955 0.311 -8.479 1.00 0.00 C ATOM 370 C ALA A 24 8.729 1.677 -9.135 1.00 0.00 C ATOM 371 O ALA A 24 7.954 2.497 -8.637 1.00 0.00 O ATOM 372 CB ALA A 24 8.178 -0.766 -9.225 1.00 0.00 C ATOM 0 H ALA A 24 7.927 1.059 -6.804 1.00 0.00 H new ATOM 0 HA ALA A 24 10.021 0.090 -8.536 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.467 -0.761 -10.276 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.401 -1.741 -8.792 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.109 -0.568 -9.142 1.00 0.00 H new ATOM 378 N LYS A 25 9.412 1.908 -10.261 1.00 0.00 N ATOM 379 CA LYS A 25 9.295 3.168 -11.000 1.00 0.00 C ATOM 380 C LYS A 25 8.845 2.920 -12.442 1.00 0.00 C ATOM 381 O LYS A 25 8.648 1.774 -12.852 1.00 0.00 O ATOM 382 CB LYS A 25 10.636 3.912 -10.995 1.00 0.00 C ATOM 383 CG LYS A 25 10.629 5.180 -10.156 1.00 0.00 C ATOM 384 CD LYS A 25 10.923 6.414 -10.996 1.00 0.00 C ATOM 385 CE LYS A 25 10.971 7.673 -10.142 1.00 0.00 C ATOM 386 NZ LYS A 25 12.006 8.634 -10.616 1.00 0.00 N ATOM 0 H LYS A 25 10.054 1.236 -10.681 1.00 0.00 H new ATOM 0 HA LYS A 25 8.542 3.780 -10.504 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.411 3.243 -10.620 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.904 4.167 -12.020 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.658 5.291 -9.674 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.371 5.095 -9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.875 6.286 -11.511 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.157 6.523 -11.764 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.994 8.157 -10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.177 7.401 -9.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.936 9.517 -10.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.951 8.220 -10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.855 8.837 -11.625 1.00 0.00 H new ATOM 400 N GLY A 26 8.690 4.003 -13.209 1.00 0.00 N ATOM 401 CA GLY A 26 8.272 3.882 -14.593 1.00 0.00 C ATOM 402 C GLY A 26 8.621 5.116 -15.398 1.00 0.00 C ATOM 403 O GLY A 26 9.661 5.738 -15.167 1.00 0.00 O ATOM 0 H GLY A 26 8.848 4.960 -12.892 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.748 3.010 -15.041 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.196 3.714 -14.634 1.00 0.00 H new ATOM 407 N ALA A 27 7.753 5.479 -16.335 1.00 0.00 N ATOM 408 CA ALA A 27 7.982 6.656 -17.160 1.00 0.00 C ATOM 409 C ALA A 27 6.997 7.765 -16.809 1.00 0.00 C ATOM 410 O ALA A 27 5.878 7.495 -16.366 1.00 0.00 O ATOM 411 CB ALA A 27 7.892 6.308 -18.639 1.00 0.00 C ATOM 0 H ALA A 27 6.889 4.977 -16.541 1.00 0.00 H new ATOM 0 HA ALA A 27 8.990 7.018 -16.956 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.067 7.204 -19.235 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.644 5.558 -18.883 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.901 5.913 -18.860 1.00 0.00 H new ATOM 417 N GLY A 28 7.427 9.016 -16.991 1.00 0.00 N ATOM 418 CA GLY A 28 6.576 10.151 -16.665 1.00 0.00 C ATOM 419 C GLY A 28 6.145 10.126 -15.210 1.00 0.00 C ATOM 420 O GLY A 28 5.067 10.609 -14.861 1.00 0.00 O ATOM 0 H GLY A 28 8.347 9.262 -17.357 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.111 11.078 -16.871 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.695 10.142 -17.306 1.00 0.00 H new ATOM 424 N GLN A 29 6.991 9.537 -14.365 1.00 0.00 N ATOM 425 CA GLN A 29 6.710 9.414 -12.944 1.00 0.00 C ATOM 426 C GLN A 29 8.000 9.496 -12.137 1.00 0.00 C ATOM 427 O GLN A 29 8.810 8.566 -12.150 1.00 0.00 O ATOM 428 CB GLN A 29 5.976 8.097 -12.677 1.00 0.00 C ATOM 429 CG GLN A 29 5.356 8.016 -11.291 1.00 0.00 C ATOM 430 CD GLN A 29 6.050 7.019 -10.381 1.00 0.00 C ATOM 431 OE1 GLN A 29 7.342 6.797 -10.600 1.00 0.00 O flip ATOM 432 NE2 GLN A 29 5.430 6.454 -9.481 1.00 0.00 N flip ATOM 0 H GLN A 29 7.884 9.135 -14.649 1.00 0.00 H new ATOM 0 HA GLN A 29 6.070 10.239 -12.631 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.193 7.969 -13.424 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.674 7.270 -12.802 1.00 0.00 H new ATOM 0 HG2 GLN A 29 5.387 9.002 -10.828 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.306 7.741 -11.386 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.439 6.650 -9.344 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.907 5.789 -8.872 1.00 0.00 H new ATOM 441 N ASP A 30 8.186 10.617 -11.439 1.00 0.00 N ATOM 442 CA ASP A 30 9.380 10.831 -10.627 1.00 0.00 C ATOM 443 C ASP A 30 9.116 10.497 -9.157 1.00 0.00 C ATOM 444 O ASP A 30 9.625 11.165 -8.256 1.00 0.00 O ATOM 445 CB ASP A 30 9.859 12.279 -10.761 1.00 0.00 C ATOM 446 CG ASP A 30 11.351 12.413 -10.533 1.00 0.00 C ATOM 447 OD1 ASP A 30 12.126 11.996 -11.419 1.00 0.00 O ATOM 448 OD2 ASP A 30 11.745 12.929 -9.466 1.00 0.00 O ATOM 0 H ASP A 30 7.522 11.391 -11.421 1.00 0.00 H new ATOM 0 HA ASP A 30 10.160 10.162 -10.992 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.610 12.651 -11.755 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.326 12.904 -10.044 1.00 0.00 H new ATOM 453 N LYS A 31 8.323 9.453 -8.924 1.00 0.00 N ATOM 454 CA LYS A 31 7.993 9.020 -7.570 1.00 0.00 C ATOM 455 C LYS A 31 8.146 7.505 -7.441 1.00 0.00 C ATOM 456 O LYS A 31 8.761 6.865 -8.294 1.00 0.00 O ATOM 457 CB LYS A 31 6.563 9.445 -7.215 1.00 0.00 C ATOM 458 CG LYS A 31 6.275 10.916 -7.483 1.00 0.00 C ATOM 459 CD LYS A 31 7.036 11.820 -6.524 1.00 0.00 C ATOM 460 CE LYS A 31 6.516 13.249 -6.568 1.00 0.00 C ATOM 461 NZ LYS A 31 7.552 14.237 -6.150 1.00 0.00 N ATOM 0 H LYS A 31 7.896 8.890 -9.660 1.00 0.00 H new ATOM 0 HA LYS A 31 8.683 9.495 -6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.861 8.837 -7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.383 9.235 -6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.550 11.160 -8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.205 11.101 -7.387 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.948 11.431 -5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.096 11.810 -6.778 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.181 13.481 -7.579 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.647 13.338 -5.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.154 15.197 -6.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.854 14.033 -5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.371 14.171 -6.787 1.00 0.00 H new ATOM 475 N LEU A 32 7.585 6.933 -6.376 1.00 0.00 N ATOM 476 CA LEU A 32 7.666 5.493 -6.156 1.00 0.00 C ATOM 477 C LEU A 32 6.413 4.982 -5.453 1.00 0.00 C ATOM 478 O LEU A 32 6.036 5.487 -4.393 1.00 0.00 O ATOM 479 CB LEU A 32 8.909 5.146 -5.334 1.00 0.00 C ATOM 480 CG LEU A 32 9.683 3.916 -5.818 1.00 0.00 C ATOM 481 CD1 LEU A 32 10.258 4.155 -7.207 1.00 0.00 C ATOM 482 CD2 LEU A 32 10.787 3.564 -4.832 1.00 0.00 C ATOM 0 H LEU A 32 7.073 7.443 -5.657 1.00 0.00 H new ATOM 0 HA LEU A 32 7.740 5.005 -7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.581 6.004 -5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.608 4.983 -4.299 1.00 0.00 H new ATOM 0 HG LEU A 32 8.993 3.075 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.804 3.269 -7.532 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.447 4.359 -7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.935 5.009 -7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.328 2.688 -5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.476 4.404 -4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.349 3.347 -3.858 1.00 0.00 H new ATOM 494 N GLY A 33 5.771 3.981 -6.054 1.00 0.00 N ATOM 495 CA GLY A 33 4.564 3.417 -5.479 1.00 0.00 C ATOM 496 C GLY A 33 4.825 2.127 -4.725 1.00 0.00 C ATOM 497 O GLY A 33 5.580 1.271 -5.190 1.00 0.00 O ATOM 0 H GLY A 33 6.068 3.551 -6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.114 4.144 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.841 3.230 -6.273 1.00 0.00 H new ATOM 501 N ILE A 34 4.195 1.986 -3.560 1.00 0.00 N ATOM 502 CA ILE A 34 4.358 0.790 -2.739 1.00 0.00 C ATOM 503 C ILE A 34 3.370 -0.295 -3.162 1.00 0.00 C ATOM 504 O ILE A 34 2.396 -0.577 -2.462 1.00 0.00 O ATOM 505 CB ILE A 34 4.167 1.103 -1.237 1.00 0.00 C ATOM 506 CG1 ILE A 34 4.919 2.380 -0.854 1.00 0.00 C ATOM 507 CG2 ILE A 34 4.635 -0.069 -0.384 1.00 0.00 C ATOM 508 CD1 ILE A 34 6.407 2.317 -1.133 1.00 0.00 C ATOM 0 H ILE A 34 3.567 2.686 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 34 5.376 0.431 -2.891 1.00 0.00 H new ATOM 0 HB ILE A 34 3.105 1.262 -1.051 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.491 3.221 -1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.765 2.577 0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.493 0.169 0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.056 -0.957 -0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.691 -0.259 -0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.873 3.257 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.849 1.498 -0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.571 2.151 -2.198 1.00 0.00 H new ATOM 520 N TYR A 35 3.631 -0.897 -4.321 1.00 0.00 N ATOM 521 CA TYR A 35 2.769 -1.950 -4.856 1.00 0.00 C ATOM 522 C TYR A 35 2.690 -3.142 -3.903 1.00 0.00 C ATOM 523 O TYR A 35 3.551 -3.316 -3.041 1.00 0.00 O ATOM 524 CB TYR A 35 3.280 -2.413 -6.223 1.00 0.00 C ATOM 525 CG TYR A 35 3.384 -1.302 -7.245 1.00 0.00 C ATOM 526 CD1 TYR A 35 2.281 -0.922 -7.997 1.00 0.00 C ATOM 527 CD2 TYR A 35 4.585 -0.634 -7.457 1.00 0.00 C ATOM 528 CE1 TYR A 35 2.371 0.088 -8.933 1.00 0.00 C ATOM 529 CE2 TYR A 35 4.683 0.377 -8.392 1.00 0.00 C ATOM 530 CZ TYR A 35 3.573 0.737 -9.126 1.00 0.00 C ATOM 531 OH TYR A 35 3.665 1.743 -10.062 1.00 0.00 O ATOM 0 H TYR A 35 4.434 -0.673 -4.909 1.00 0.00 H new ATOM 0 HA TYR A 35 1.768 -1.534 -4.967 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.261 -2.871 -6.097 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.614 -3.186 -6.607 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.337 -1.425 -7.847 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.455 -0.911 -6.881 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.504 0.369 -9.512 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.624 0.883 -8.548 1.00 0.00 H new ATOM 0 HH TYR A 35 4.579 2.097 -10.073 1.00 0.00 H new ATOM 541 N VAL A 36 1.651 -3.958 -4.069 1.00 0.00 N ATOM 542 CA VAL A 36 1.455 -5.137 -3.229 1.00 0.00 C ATOM 543 C VAL A 36 1.902 -6.405 -3.954 1.00 0.00 C ATOM 544 O VAL A 36 1.313 -6.791 -4.964 1.00 0.00 O ATOM 545 CB VAL A 36 -0.024 -5.294 -2.811 1.00 0.00 C ATOM 546 CG1 VAL A 36 -0.189 -6.437 -1.819 1.00 0.00 C ATOM 547 CG2 VAL A 36 -0.563 -3.994 -2.227 1.00 0.00 C ATOM 0 H VAL A 36 0.931 -3.824 -4.779 1.00 0.00 H new ATOM 0 HA VAL A 36 2.063 -4.994 -2.336 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.602 -5.532 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.239 -6.528 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.146 -7.368 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.407 -6.235 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.606 -4.129 -1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.022 -3.719 -1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.492 -3.203 -2.973 1.00 0.00 H new ATOM 557 N LYS A 37 2.941 -7.053 -3.431 1.00 0.00 N ATOM 558 CA LYS A 37 3.457 -8.283 -4.030 1.00 0.00 C ATOM 559 C LYS A 37 2.424 -9.407 -3.937 1.00 0.00 C ATOM 560 O LYS A 37 2.166 -10.105 -4.919 1.00 0.00 O ATOM 561 CB LYS A 37 4.757 -8.712 -3.343 1.00 0.00 C ATOM 562 CG LYS A 37 5.833 -9.171 -4.316 1.00 0.00 C ATOM 563 CD LYS A 37 7.184 -9.322 -3.633 1.00 0.00 C ATOM 564 CE LYS A 37 7.369 -10.714 -3.048 1.00 0.00 C ATOM 565 NZ LYS A 37 7.175 -10.732 -1.571 1.00 0.00 N ATOM 0 H LYS A 37 3.441 -6.748 -2.596 1.00 0.00 H new ATOM 0 HA LYS A 37 3.663 -8.084 -5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.141 -7.878 -2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.540 -9.521 -2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.541 -10.123 -4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.916 -8.453 -5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.979 -9.121 -4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.276 -8.579 -2.840 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.662 -11.400 -3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.369 -11.077 -3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.521 -11.634 -1.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.705 -9.947 -1.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.164 -10.627 -1.352 1.00 0.00 H new ATOM 579 N SER A 38 1.836 -9.568 -2.750 1.00 0.00 N ATOM 580 CA SER A 38 0.826 -10.600 -2.516 1.00 0.00 C ATOM 581 C SER A 38 0.307 -10.539 -1.081 1.00 0.00 C ATOM 582 O SER A 38 1.086 -10.604 -0.128 1.00 0.00 O ATOM 583 CB SER A 38 1.398 -11.993 -2.800 1.00 0.00 C ATOM 584 OG SER A 38 0.443 -12.809 -3.457 1.00 0.00 O ATOM 0 H SER A 38 2.044 -8.994 -1.933 1.00 0.00 H new ATOM 0 HA SER A 38 -0.004 -10.412 -3.197 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.292 -11.904 -3.417 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.702 -12.463 -1.865 1.00 0.00 H new ATOM 0 HG SER A 38 0.831 -13.692 -3.630 1.00 0.00 H new ATOM 590 N VAL A 39 -1.012 -10.418 -0.934 1.00 0.00 N ATOM 591 CA VAL A 39 -1.634 -10.354 0.388 1.00 0.00 C ATOM 592 C VAL A 39 -1.609 -11.719 1.074 1.00 0.00 C ATOM 593 O VAL A 39 -1.777 -12.753 0.425 1.00 0.00 O ATOM 594 CB VAL A 39 -3.092 -9.847 0.314 1.00 0.00 C ATOM 595 CG1 VAL A 39 -3.128 -8.392 -0.127 1.00 0.00 C ATOM 596 CG2 VAL A 39 -3.924 -10.715 -0.621 1.00 0.00 C ATOM 0 H VAL A 39 -1.669 -10.362 -1.712 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.050 -9.645 0.974 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.527 -9.915 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.162 -8.051 -0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.577 -7.781 0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.671 -8.299 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.946 -10.337 -0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.493 -10.688 -1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.929 -11.742 -0.256 1.00 0.00 H new ATOM 606 N VAL A 40 -1.393 -11.713 2.386 1.00 0.00 N ATOM 607 CA VAL A 40 -1.339 -12.949 3.162 1.00 0.00 C ATOM 608 C VAL A 40 -2.712 -13.306 3.724 1.00 0.00 C ATOM 609 O VAL A 40 -3.442 -12.438 4.211 1.00 0.00 O ATOM 610 CB VAL A 40 -0.325 -12.844 4.322 1.00 0.00 C ATOM 611 CG1 VAL A 40 -0.164 -14.184 5.024 1.00 0.00 C ATOM 612 CG2 VAL A 40 1.020 -12.339 3.816 1.00 0.00 C ATOM 0 H VAL A 40 -1.252 -10.865 2.935 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.015 -13.736 2.481 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.711 -12.126 5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.555 -14.085 5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.126 -14.502 5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.194 -14.927 4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.720 -12.272 4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.410 -13.030 3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.894 -11.353 3.368 1.00 0.00 H new ATOM 622 N LYS A 41 -3.057 -14.590 3.652 1.00 0.00 N ATOM 623 CA LYS A 41 -4.342 -15.073 4.151 1.00 0.00 C ATOM 624 C LYS A 41 -4.482 -14.822 5.650 1.00 0.00 C ATOM 625 O LYS A 41 -3.487 -14.746 6.373 1.00 0.00 O ATOM 626 CB LYS A 41 -4.499 -16.567 3.863 1.00 0.00 C ATOM 627 CG LYS A 41 -5.915 -16.968 3.488 1.00 0.00 C ATOM 628 CD LYS A 41 -6.188 -16.735 2.011 1.00 0.00 C ATOM 629 CE LYS A 41 -7.666 -16.493 1.746 1.00 0.00 C ATOM 630 NZ LYS A 41 -7.885 -15.452 0.704 1.00 0.00 N ATOM 0 H LYS A 41 -2.463 -15.316 3.252 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.127 -14.522 3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.825 -16.845 3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.191 -17.132 4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.071 -18.020 3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.626 -16.397 4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.611 -15.878 1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.852 -17.599 1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.135 -17.425 1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.155 -16.188 2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.874 -15.483 0.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.679 -14.514 1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.255 -15.631 -0.104 1.00 0.00 H new ATOM 644 N GLY A 42 -5.726 -14.692 6.108 1.00 0.00 N ATOM 645 CA GLY A 42 -5.979 -14.447 7.518 1.00 0.00 C ATOM 646 C GLY A 42 -5.600 -13.039 7.951 1.00 0.00 C ATOM 647 O GLY A 42 -5.498 -12.763 9.147 1.00 0.00 O ATOM 0 H GLY A 42 -6.563 -14.752 5.527 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.036 -14.614 7.727 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.419 -15.168 8.113 1.00 0.00 H new ATOM 651 N GLY A 43 -5.395 -12.146 6.979 1.00 0.00 N ATOM 652 CA GLY A 43 -5.033 -10.776 7.290 1.00 0.00 C ATOM 653 C GLY A 43 -6.246 -9.870 7.397 1.00 0.00 C ATOM 654 O GLY A 43 -7.316 -10.191 6.874 1.00 0.00 O ATOM 0 H GLY A 43 -5.474 -12.351 5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.481 -10.753 8.230 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.365 -10.395 6.518 1.00 0.00 H new ATOM 658 N ALA A 44 -6.078 -8.736 8.076 1.00 0.00 N ATOM 659 CA ALA A 44 -7.166 -7.771 8.257 1.00 0.00 C ATOM 660 C ALA A 44 -7.742 -7.308 6.917 1.00 0.00 C ATOM 661 O ALA A 44 -8.948 -7.087 6.798 1.00 0.00 O ATOM 662 CB ALA A 44 -6.677 -6.574 9.061 1.00 0.00 C ATOM 0 H ALA A 44 -5.198 -8.461 8.511 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.965 -8.271 8.805 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.494 -5.864 9.189 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.331 -6.909 10.039 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.856 -6.091 8.531 1.00 0.00 H new ATOM 668 N ALA A 45 -6.876 -7.165 5.914 1.00 0.00 N ATOM 669 CA ALA A 45 -7.305 -6.733 4.585 1.00 0.00 C ATOM 670 C ALA A 45 -7.832 -7.908 3.763 1.00 0.00 C ATOM 671 O ALA A 45 -8.754 -7.750 2.961 1.00 0.00 O ATOM 672 CB ALA A 45 -6.157 -6.053 3.853 1.00 0.00 C ATOM 0 H ALA A 45 -5.875 -7.342 5.997 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.118 -6.018 4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.492 -5.737 2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.829 -5.182 4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.327 -6.752 3.748 1.00 0.00 H new ATOM 678 N ASP A 46 -7.237 -9.086 3.961 1.00 0.00 N ATOM 679 CA ASP A 46 -7.646 -10.284 3.231 1.00 0.00 C ATOM 680 C ASP A 46 -9.043 -10.738 3.648 1.00 0.00 C ATOM 681 O ASP A 46 -9.885 -11.033 2.800 1.00 0.00 O ATOM 682 CB ASP A 46 -6.642 -11.420 3.457 1.00 0.00 C ATOM 683 CG ASP A 46 -6.380 -12.223 2.196 1.00 0.00 C ATOM 684 OD1 ASP A 46 -7.339 -12.816 1.658 1.00 0.00 O ATOM 685 OD2 ASP A 46 -5.216 -12.262 1.750 1.00 0.00 O ATOM 0 H ASP A 46 -6.472 -9.234 4.619 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.669 -10.032 2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.703 -11.003 3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.018 -12.084 4.235 1.00 0.00 H new ATOM 690 N VAL A 47 -9.282 -10.794 4.958 1.00 0.00 N ATOM 691 CA VAL A 47 -10.580 -11.219 5.483 1.00 0.00 C ATOM 692 C VAL A 47 -11.690 -10.252 5.075 1.00 0.00 C ATOM 693 O VAL A 47 -12.758 -10.677 4.630 1.00 0.00 O ATOM 694 CB VAL A 47 -10.559 -11.343 7.023 1.00 0.00 C ATOM 695 CG1 VAL A 47 -11.888 -11.878 7.542 1.00 0.00 C ATOM 696 CG2 VAL A 47 -9.408 -12.231 7.477 1.00 0.00 C ATOM 0 H VAL A 47 -8.597 -10.551 5.673 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.782 -12.199 5.052 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.407 -10.348 7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.849 -11.957 8.628 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.691 -11.198 7.256 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -12.076 -12.862 7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.412 -12.304 8.565 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.524 -13.225 7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.463 -11.800 7.146 1.00 0.00 H new ATOM 706 N ASP A 48 -11.436 -8.953 5.232 1.00 0.00 N ATOM 707 CA ASP A 48 -12.421 -7.931 4.881 1.00 0.00 C ATOM 708 C ASP A 48 -12.743 -7.965 3.389 1.00 0.00 C ATOM 709 O ASP A 48 -13.907 -7.884 2.996 1.00 0.00 O ATOM 710 CB ASP A 48 -11.913 -6.542 5.272 1.00 0.00 C ATOM 711 CG ASP A 48 -12.715 -5.940 6.407 1.00 0.00 C ATOM 712 OD1 ASP A 48 -13.746 -5.293 6.127 1.00 0.00 O ATOM 713 OD2 ASP A 48 -12.315 -6.118 7.577 1.00 0.00 O ATOM 0 H ASP A 48 -10.559 -8.584 5.599 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.335 -8.146 5.435 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.865 -6.609 5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.960 -5.882 4.406 1.00 0.00 H new ATOM 718 N GLY A 49 -11.704 -8.090 2.562 1.00 0.00 N ATOM 719 CA GLY A 49 -11.898 -8.141 1.124 1.00 0.00 C ATOM 720 C GLY A 49 -12.091 -6.769 0.507 1.00 0.00 C ATOM 721 O GLY A 49 -13.159 -6.467 -0.030 1.00 0.00 O ATOM 0 H GLY A 49 -10.732 -8.157 2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.036 -8.624 0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.767 -8.760 0.901 1.00 0.00 H new ATOM 725 N ARG A 50 -11.052 -5.939 0.576 1.00 0.00 N ATOM 726 CA ARG A 50 -11.102 -4.589 0.012 1.00 0.00 C ATOM 727 C ARG A 50 -9.812 -4.251 -0.743 1.00 0.00 C ATOM 728 O ARG A 50 -9.475 -3.078 -0.917 1.00 0.00 O ATOM 729 CB ARG A 50 -11.350 -3.562 1.120 1.00 0.00 C ATOM 730 CG ARG A 50 -12.821 -3.377 1.461 1.00 0.00 C ATOM 731 CD ARG A 50 -13.551 -2.574 0.393 1.00 0.00 C ATOM 732 NE ARG A 50 -13.087 -1.185 0.326 1.00 0.00 N ATOM 733 CZ ARG A 50 -13.766 -0.197 -0.264 1.00 0.00 C ATOM 734 NH1 ARG A 50 -14.938 -0.435 -0.845 1.00 0.00 N ATOM 735 NH2 ARG A 50 -13.269 1.036 -0.276 1.00 0.00 N ATOM 0 H ARG A 50 -10.164 -6.177 1.017 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.927 -4.553 -0.700 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.814 -3.871 2.017 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.933 -2.602 0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.295 -4.353 1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.911 -2.870 2.422 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.408 -3.050 -0.577 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.621 -2.588 0.600 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.190 -0.959 0.756 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.326 -1.378 -0.843 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.449 0.326 -1.293 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.369 1.228 0.165 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.787 1.790 -0.726 1.00 0.00 H new ATOM 749 N LEU A 51 -9.098 -5.287 -1.195 1.00 0.00 N ATOM 750 CA LEU A 51 -7.848 -5.109 -1.934 1.00 0.00 C ATOM 751 C LEU A 51 -7.254 -6.462 -2.328 1.00 0.00 C ATOM 752 O LEU A 51 -7.806 -7.513 -1.996 1.00 0.00 O ATOM 753 CB LEU A 51 -6.837 -4.308 -1.103 1.00 0.00 C ATOM 754 CG LEU A 51 -6.551 -4.863 0.296 1.00 0.00 C ATOM 755 CD1 LEU A 51 -5.340 -5.784 0.272 1.00 0.00 C ATOM 756 CD2 LEU A 51 -6.340 -3.727 1.286 1.00 0.00 C ATOM 0 H LEU A 51 -9.368 -6.261 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.070 -4.551 -2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.898 -4.257 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.203 -3.286 -1.002 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.415 -5.445 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.154 -6.167 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.530 -6.617 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.467 -5.229 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.138 -4.139 2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.494 -3.118 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.237 -3.109 1.327 1.00 0.00 H new ATOM 768 N ALA A 52 -6.131 -6.424 -3.045 1.00 0.00 N ATOM 769 CA ALA A 52 -5.458 -7.641 -3.498 1.00 0.00 C ATOM 770 C ALA A 52 -4.022 -7.348 -3.937 1.00 0.00 C ATOM 771 O ALA A 52 -3.509 -6.249 -3.722 1.00 0.00 O ATOM 772 CB ALA A 52 -6.244 -8.277 -4.640 1.00 0.00 C ATOM 0 H ALA A 52 -5.667 -5.560 -3.325 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.416 -8.339 -2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.736 -9.183 -4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.247 -8.529 -4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.312 -7.574 -5.471 1.00 0.00 H new ATOM 778 N ALA A 53 -3.380 -8.339 -4.560 1.00 0.00 N ATOM 779 CA ALA A 53 -2.009 -8.188 -5.038 1.00 0.00 C ATOM 780 C ALA A 53 -1.956 -7.278 -6.264 1.00 0.00 C ATOM 781 O ALA A 53 -2.969 -7.067 -6.935 1.00 0.00 O ATOM 782 CB ALA A 53 -1.410 -9.545 -5.365 1.00 0.00 C ATOM 0 H ALA A 53 -3.790 -9.254 -4.744 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.422 -7.726 -4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.388 -9.415 -5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.407 -10.167 -4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.005 -10.028 -6.140 1.00 0.00 H new ATOM 788 N GLY A 54 -0.772 -6.735 -6.549 1.00 0.00 N ATOM 789 CA GLY A 54 -0.615 -5.845 -7.689 1.00 0.00 C ATOM 790 C GLY A 54 -1.409 -4.563 -7.530 1.00 0.00 C ATOM 791 O GLY A 54 -1.869 -3.988 -8.513 1.00 0.00 O ATOM 0 H GLY A 54 0.080 -6.896 -6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.440 -5.603 -7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.936 -6.359 -8.595 1.00 0.00 H new ATOM 795 N ASP A 55 -1.573 -4.114 -6.288 1.00 0.00 N ATOM 796 CA ASP A 55 -2.317 -2.894 -6.008 1.00 0.00 C ATOM 797 C ASP A 55 -1.363 -1.727 -5.782 1.00 0.00 C ATOM 798 O ASP A 55 -0.470 -1.802 -4.937 1.00 0.00 O ATOM 799 CB ASP A 55 -3.217 -3.094 -4.783 1.00 0.00 C ATOM 800 CG ASP A 55 -4.672 -3.296 -5.158 1.00 0.00 C ATOM 801 OD1 ASP A 55 -5.233 -2.431 -5.865 1.00 0.00 O ATOM 802 OD2 ASP A 55 -5.253 -4.321 -4.741 1.00 0.00 O ATOM 0 H ASP A 55 -1.199 -4.579 -5.461 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.944 -2.663 -6.869 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.868 -3.958 -4.217 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.131 -2.227 -4.128 1.00 0.00 H new ATOM 807 N GLN A 56 -1.548 -0.656 -6.553 1.00 0.00 N ATOM 808 CA GLN A 56 -0.696 0.525 -6.441 1.00 0.00 C ATOM 809 C GLN A 56 -1.111 1.390 -5.254 1.00 0.00 C ATOM 810 O GLN A 56 -2.230 1.905 -5.211 1.00 0.00 O ATOM 811 CB GLN A 56 -0.749 1.345 -7.734 1.00 0.00 C ATOM 812 CG GLN A 56 0.452 2.258 -7.927 1.00 0.00 C ATOM 813 CD GLN A 56 0.170 3.695 -7.528 1.00 0.00 C ATOM 814 OE1 GLN A 56 -0.874 4.254 -7.866 1.00 0.00 O ATOM 815 NE2 GLN A 56 1.106 4.301 -6.806 1.00 0.00 N ATOM 0 H GLN A 56 -2.279 -0.583 -7.260 1.00 0.00 H new ATOM 0 HA GLN A 56 0.327 0.188 -6.277 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.818 0.665 -8.583 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.657 1.948 -7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.288 1.880 -7.339 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.759 2.230 -8.972 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.956 3.799 -6.548 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.975 5.268 -6.509 1.00 0.00 H new ATOM 824 N LEU A 57 -0.203 1.542 -4.294 1.00 0.00 N ATOM 825 CA LEU A 57 -0.469 2.340 -3.100 1.00 0.00 C ATOM 826 C LEU A 57 -0.094 3.802 -3.319 1.00 0.00 C ATOM 827 O LEU A 57 0.965 4.107 -3.871 1.00 0.00 O ATOM 828 CB LEU A 57 0.302 1.779 -1.903 1.00 0.00 C ATOM 829 CG LEU A 57 -0.569 1.263 -0.754 1.00 0.00 C ATOM 830 CD1 LEU A 57 -0.787 -0.238 -0.877 1.00 0.00 C ATOM 831 CD2 LEU A 57 0.064 1.604 0.586 1.00 0.00 C ATOM 0 H LEU A 57 0.726 1.122 -4.320 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.538 2.288 -2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.939 0.965 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.961 2.557 -1.518 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.541 1.754 -0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.408 -0.584 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.284 -0.457 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.175 -0.749 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.567 1.230 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.049 1.141 0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.165 2.686 0.676 1.00 0.00 H new ATOM 843 N LEU A 58 -0.970 4.701 -2.873 1.00 0.00 N ATOM 844 CA LEU A 58 -0.738 6.135 -3.011 1.00 0.00 C ATOM 845 C LEU A 58 -0.422 6.767 -1.657 1.00 0.00 C ATOM 846 O LEU A 58 0.671 7.299 -1.449 1.00 0.00 O ATOM 847 CB LEU A 58 -1.964 6.814 -3.634 1.00 0.00 C ATOM 848 CG LEU A 58 -1.657 7.830 -4.738 1.00 0.00 C ATOM 849 CD1 LEU A 58 -0.767 8.945 -4.212 1.00 0.00 C ATOM 850 CD2 LEU A 58 -1.011 7.141 -5.929 1.00 0.00 C ATOM 0 H LEU A 58 -1.848 4.460 -2.413 1.00 0.00 H new ATOM 0 HA LEU A 58 0.120 6.279 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.617 6.043 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.521 7.317 -2.844 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.596 8.275 -5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.562 9.655 -5.013 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.272 9.458 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.171 8.523 -3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.799 7.877 -6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.081 6.667 -5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.689 6.384 -6.323 1.00 0.00 H new ATOM 862 N SER A 59 -1.388 6.708 -0.741 1.00 0.00 N ATOM 863 CA SER A 59 -1.219 7.278 0.593 1.00 0.00 C ATOM 864 C SER A 59 -1.556 6.256 1.677 1.00 0.00 C ATOM 865 O SER A 59 -2.449 5.424 1.507 1.00 0.00 O ATOM 866 CB SER A 59 -2.099 8.520 0.754 1.00 0.00 C ATOM 867 OG SER A 59 -1.622 9.588 -0.047 1.00 0.00 O ATOM 0 H SER A 59 -2.296 6.271 -0.899 1.00 0.00 H new ATOM 0 HA SER A 59 -0.173 7.563 0.706 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.125 8.282 0.475 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.116 8.825 1.800 1.00 0.00 H new ATOM 0 HG SER A 59 -2.201 10.370 0.071 1.00 0.00 H new ATOM 873 N VAL A 60 -0.832 6.327 2.794 1.00 0.00 N ATOM 874 CA VAL A 60 -1.051 5.415 3.913 1.00 0.00 C ATOM 875 C VAL A 60 -1.409 6.190 5.177 1.00 0.00 C ATOM 876 O VAL A 60 -0.618 6.998 5.665 1.00 0.00 O ATOM 877 CB VAL A 60 0.191 4.544 4.192 1.00 0.00 C ATOM 878 CG1 VAL A 60 -0.108 3.517 5.277 1.00 0.00 C ATOM 879 CG2 VAL A 60 0.665 3.862 2.917 1.00 0.00 C ATOM 0 H VAL A 60 -0.088 7.008 2.947 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.878 4.763 3.634 1.00 0.00 H new ATOM 0 HB VAL A 60 0.992 5.191 4.548 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.780 2.912 5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.393 4.030 6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.925 2.873 4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.542 3.252 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.130 3.227 2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.924 4.617 2.175 1.00 0.00 H new ATOM 889 N ASP A 61 -2.611 5.938 5.697 1.00 0.00 N ATOM 890 CA ASP A 61 -3.090 6.610 6.904 1.00 0.00 C ATOM 891 C ASP A 61 -3.160 8.127 6.700 1.00 0.00 C ATOM 892 O ASP A 61 -2.958 8.900 7.637 1.00 0.00 O ATOM 893 CB ASP A 61 -2.181 6.275 8.092 1.00 0.00 C ATOM 894 CG ASP A 61 -2.951 6.155 9.393 1.00 0.00 C ATOM 895 OD1 ASP A 61 -3.955 5.414 9.422 1.00 0.00 O ATOM 896 OD2 ASP A 61 -2.549 6.801 10.383 1.00 0.00 O ATOM 0 H ASP A 61 -3.272 5.271 5.299 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.097 6.251 7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.659 5.339 7.894 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.420 7.049 8.193 1.00 0.00 H new ATOM 901 N GLY A 62 -3.446 8.544 5.464 1.00 0.00 N ATOM 902 CA GLY A 62 -3.533 9.963 5.156 1.00 0.00 C ATOM 903 C GLY A 62 -2.176 10.606 4.889 1.00 0.00 C ATOM 904 O GLY A 62 -2.110 11.774 4.503 1.00 0.00 O ATOM 0 H GLY A 62 -3.618 7.924 4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.170 10.100 4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.015 10.479 5.986 1.00 0.00 H new ATOM 908 N ARG A 63 -1.092 9.851 5.092 1.00 0.00 N ATOM 909 CA ARG A 63 0.257 10.366 4.867 1.00 0.00 C ATOM 910 C ARG A 63 0.618 10.328 3.386 1.00 0.00 C ATOM 911 O ARG A 63 0.082 9.520 2.625 1.00 0.00 O ATOM 912 CB ARG A 63 1.278 9.553 5.664 1.00 0.00 C ATOM 913 CG ARG A 63 1.220 9.794 7.163 1.00 0.00 C ATOM 914 CD ARG A 63 1.910 8.680 7.935 1.00 0.00 C ATOM 915 NE ARG A 63 2.486 9.159 9.190 1.00 0.00 N ATOM 916 CZ ARG A 63 3.572 9.934 9.270 1.00 0.00 C ATOM 917 NH1 ARG A 63 4.193 10.345 8.164 1.00 0.00 N ATOM 918 NH2 ARG A 63 4.034 10.305 10.459 1.00 0.00 N ATOM 0 H ARG A 63 -1.125 8.883 5.411 1.00 0.00 H new ATOM 0 HA ARG A 63 0.278 11.402 5.205 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.116 8.493 5.470 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.279 9.793 5.306 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.693 10.747 7.398 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.180 9.868 7.481 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.193 7.886 8.145 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.696 8.244 7.318 1.00 0.00 H new ATOM 0 HE ARG A 63 2.030 8.884 10.060 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.840 10.068 7.248 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.021 10.936 8.234 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.560 9.998 11.309 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.863 10.896 10.522 1.00 0.00 H new ATOM 932 N SER A 64 1.537 11.205 2.986 1.00 0.00 N ATOM 933 CA SER A 64 1.979 11.273 1.599 1.00 0.00 C ATOM 934 C SER A 64 3.277 10.494 1.401 1.00 0.00 C ATOM 935 O SER A 64 4.361 10.981 1.728 1.00 0.00 O ATOM 936 CB SER A 64 2.171 12.731 1.168 1.00 0.00 C ATOM 937 OG SER A 64 1.476 13.002 -0.037 1.00 0.00 O ATOM 0 H SER A 64 1.989 11.878 3.605 1.00 0.00 H new ATOM 0 HA SER A 64 1.207 10.820 0.978 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.815 13.396 1.955 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.233 12.937 1.033 1.00 0.00 H new ATOM 0 HG SER A 64 1.613 13.939 -0.290 1.00 0.00 H new ATOM 943 N LEU A 65 3.160 9.284 0.858 1.00 0.00 N ATOM 944 CA LEU A 65 4.326 8.440 0.609 1.00 0.00 C ATOM 945 C LEU A 65 4.587 8.309 -0.890 1.00 0.00 C ATOM 946 O LEU A 65 4.859 7.217 -1.394 1.00 0.00 O ATOM 947 CB LEU A 65 4.129 7.059 1.239 1.00 0.00 C ATOM 948 CG LEU A 65 3.912 7.062 2.753 1.00 0.00 C ATOM 949 CD1 LEU A 65 3.003 5.914 3.160 1.00 0.00 C ATOM 950 CD2 LEU A 65 5.244 6.978 3.486 1.00 0.00 C ATOM 0 H LEU A 65 2.271 8.867 0.582 1.00 0.00 H new ATOM 0 HA LEU A 65 5.195 8.911 1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.272 6.580 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.002 6.446 1.014 1.00 0.00 H new ATOM 0 HG LEU A 65 3.429 7.999 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.858 5.930 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.039 6.020 2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.459 4.968 2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.068 6.981 4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.757 6.058 3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.862 7.834 3.217 1.00 0.00 H new ATOM 962 N VAL A 66 4.503 9.434 -1.599 1.00 0.00 N ATOM 963 CA VAL A 66 4.730 9.454 -3.038 1.00 0.00 C ATOM 964 C VAL A 66 6.122 9.987 -3.357 1.00 0.00 C ATOM 965 O VAL A 66 6.358 11.197 -3.349 1.00 0.00 O ATOM 966 CB VAL A 66 3.658 10.298 -3.760 1.00 0.00 C ATOM 967 CG1 VAL A 66 4.014 10.502 -5.225 1.00 0.00 C ATOM 968 CG2 VAL A 66 2.299 9.633 -3.626 1.00 0.00 C ATOM 0 H VAL A 66 4.279 10.344 -1.196 1.00 0.00 H new ATOM 0 HA VAL A 66 4.657 8.428 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 66 3.619 11.281 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.241 11.100 -5.707 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.971 11.019 -5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.086 9.534 -5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.548 10.234 -4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.335 8.639 -4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.038 9.547 -2.571 1.00 0.00 H new ATOM 978 N GLY A 67 7.041 9.064 -3.627 1.00 0.00 N ATOM 979 CA GLY A 67 8.412 9.437 -3.940 1.00 0.00 C ATOM 980 C GLY A 67 9.422 8.815 -2.990 1.00 0.00 C ATOM 981 O GLY A 67 10.566 8.565 -3.373 1.00 0.00 O ATOM 0 H GLY A 67 6.861 8.060 -3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.643 9.131 -4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.506 10.522 -3.904 1.00 0.00 H new ATOM 985 N LEU A 68 9.000 8.565 -1.749 1.00 0.00 N ATOM 986 CA LEU A 68 9.873 7.968 -0.739 1.00 0.00 C ATOM 987 C LEU A 68 10.264 6.542 -1.119 1.00 0.00 C ATOM 988 O LEU A 68 9.689 5.948 -2.035 1.00 0.00 O ATOM 989 CB LEU A 68 9.178 7.956 0.627 1.00 0.00 C ATOM 990 CG LEU A 68 8.690 9.318 1.129 1.00 0.00 C ATOM 991 CD1 LEU A 68 7.896 9.160 2.418 1.00 0.00 C ATOM 992 CD2 LEU A 68 9.866 10.262 1.335 1.00 0.00 C ATOM 0 H LEU A 68 8.056 8.768 -1.420 1.00 0.00 H new ATOM 0 HA LEU A 68 10.777 8.575 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.324 7.280 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.868 7.543 1.363 1.00 0.00 H new ATOM 0 HG LEU A 68 8.032 9.748 0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.558 10.138 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.032 8.520 2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.529 8.708 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.501 11.225 1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.549 9.837 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.391 10.400 0.390 1.00 0.00 H new ATOM 1004 N SER A 69 11.237 5.992 -0.397 1.00 0.00 N ATOM 1005 CA SER A 69 11.700 4.632 -0.644 1.00 0.00 C ATOM 1006 C SER A 69 10.855 3.630 0.140 1.00 0.00 C ATOM 1007 O SER A 69 10.080 4.015 1.020 1.00 0.00 O ATOM 1008 CB SER A 69 13.178 4.494 -0.262 1.00 0.00 C ATOM 1009 OG SER A 69 13.723 3.279 -0.748 1.00 0.00 O ATOM 0 H SER A 69 11.720 6.469 0.364 1.00 0.00 H new ATOM 0 HA SER A 69 11.593 4.419 -1.708 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.741 5.335 -0.667 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.281 4.534 0.822 1.00 0.00 H new ATOM 0 HG SER A 69 14.667 3.218 -0.491 1.00 0.00 H new ATOM 1015 N GLN A 70 11.008 2.346 -0.178 1.00 0.00 N ATOM 1016 CA GLN A 70 10.255 1.297 0.509 1.00 0.00 C ATOM 1017 C GLN A 70 10.523 1.326 2.013 1.00 0.00 C ATOM 1018 O GLN A 70 9.661 0.952 2.804 1.00 0.00 O ATOM 1019 CB GLN A 70 10.609 -0.082 -0.053 1.00 0.00 C ATOM 1020 CG GLN A 70 9.527 -1.130 0.173 1.00 0.00 C ATOM 1021 CD GLN A 70 8.387 -1.022 -0.818 1.00 0.00 C ATOM 1022 OE1 GLN A 70 8.155 0.034 -1.405 1.00 0.00 O ATOM 1023 NE2 GLN A 70 7.662 -2.114 -1.009 1.00 0.00 N ATOM 0 H GLN A 70 11.642 2.008 -0.902 1.00 0.00 H new ATOM 0 HA GLN A 70 9.195 1.487 0.339 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.797 0.009 -1.123 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.536 -0.425 0.406 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.970 -2.123 0.103 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.134 -1.027 1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.887 -2.970 -0.503 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.879 -2.098 -1.662 1.00 0.00 H new ATOM 1032 N GLU A 71 11.720 1.773 2.400 1.00 0.00 N ATOM 1033 CA GLU A 71 12.093 1.853 3.810 1.00 0.00 C ATOM 1034 C GLU A 71 11.107 2.728 4.583 1.00 0.00 C ATOM 1035 O GLU A 71 10.509 2.283 5.562 1.00 0.00 O ATOM 1036 CB GLU A 71 13.512 2.409 3.957 1.00 0.00 C ATOM 1037 CG GLU A 71 14.169 2.066 5.286 1.00 0.00 C ATOM 1038 CD GLU A 71 13.972 3.141 6.341 1.00 0.00 C ATOM 1039 OE1 GLU A 71 13.954 4.340 5.981 1.00 0.00 O ATOM 1040 OE2 GLU A 71 13.837 2.785 7.529 1.00 0.00 O ATOM 0 H GLU A 71 12.446 2.085 1.755 1.00 0.00 H new ATOM 0 HA GLU A 71 12.063 0.846 4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 71 14.130 2.023 3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.481 3.493 3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.761 1.125 5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 71 15.236 1.911 5.128 1.00 0.00 H new ATOM 1047 N ARG A 72 10.935 3.970 4.129 1.00 0.00 N ATOM 1048 CA ARG A 72 10.012 4.899 4.774 1.00 0.00 C ATOM 1049 C ARG A 72 8.578 4.383 4.686 1.00 0.00 C ATOM 1050 O ARG A 72 7.845 4.389 5.676 1.00 0.00 O ATOM 1051 CB ARG A 72 10.107 6.286 4.132 1.00 0.00 C ATOM 1052 CG ARG A 72 11.497 6.898 4.207 1.00 0.00 C ATOM 1053 CD ARG A 72 11.771 7.483 5.583 1.00 0.00 C ATOM 1054 NE ARG A 72 11.528 8.926 5.625 1.00 0.00 N ATOM 1055 CZ ARG A 72 11.498 9.646 6.748 1.00 0.00 C ATOM 1056 NH1 ARG A 72 11.691 9.063 7.927 1.00 0.00 N ATOM 1057 NH2 ARG A 72 11.274 10.954 6.693 1.00 0.00 N ATOM 0 H ARG A 72 11.422 4.353 3.319 1.00 0.00 H new ATOM 0 HA ARG A 72 10.292 4.978 5.824 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.807 6.215 3.087 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.398 6.953 4.622 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.244 6.138 3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.594 7.678 3.452 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.139 6.988 6.320 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.805 7.281 5.863 1.00 0.00 H new ATOM 0 HE ARG A 72 11.372 9.411 4.741 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.863 8.059 7.977 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.667 9.620 8.781 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.125 11.408 5.792 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.251 11.504 7.552 1.00 0.00 H new ATOM 1071 N ALA A 73 8.190 3.928 3.494 1.00 0.00 N ATOM 1072 CA ALA A 73 6.848 3.399 3.275 1.00 0.00 C ATOM 1073 C ALA A 73 6.572 2.212 4.194 1.00 0.00 C ATOM 1074 O ALA A 73 5.630 2.244 4.987 1.00 0.00 O ATOM 1075 CB ALA A 73 6.667 3.002 1.818 1.00 0.00 C ATOM 0 H ALA A 73 8.787 3.916 2.667 1.00 0.00 H new ATOM 0 HA ALA A 73 6.129 4.183 3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.661 2.609 1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.813 3.875 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.397 2.237 1.556 1.00 0.00 H new ATOM 1081 N ALA A 74 7.403 1.170 4.091 1.00 0.00 N ATOM 1082 CA ALA A 74 7.251 -0.023 4.924 1.00 0.00 C ATOM 1083 C ALA A 74 7.092 0.344 6.400 1.00 0.00 C ATOM 1084 O ALA A 74 6.193 -0.153 7.078 1.00 0.00 O ATOM 1085 CB ALA A 74 8.446 -0.951 4.747 1.00 0.00 C ATOM 0 H ALA A 74 8.187 1.130 3.439 1.00 0.00 H new ATOM 0 HA ALA A 74 6.346 -0.538 4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.317 -1.834 5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.519 -1.255 3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.358 -0.429 5.038 1.00 0.00 H new ATOM 1091 N GLU A 75 7.977 1.214 6.889 1.00 0.00 N ATOM 1092 CA GLU A 75 7.945 1.647 8.286 1.00 0.00 C ATOM 1093 C GLU A 75 6.637 2.359 8.628 1.00 0.00 C ATOM 1094 O GLU A 75 5.884 1.900 9.485 1.00 0.00 O ATOM 1095 CB GLU A 75 9.132 2.566 8.588 1.00 0.00 C ATOM 1096 CG GLU A 75 9.999 2.081 9.738 1.00 0.00 C ATOM 1097 CD GLU A 75 10.659 0.747 9.445 1.00 0.00 C ATOM 1098 OE1 GLU A 75 11.780 0.749 8.896 1.00 0.00 O ATOM 1099 OE2 GLU A 75 10.054 -0.298 9.765 1.00 0.00 O ATOM 0 H GLU A 75 8.726 1.633 6.337 1.00 0.00 H new ATOM 0 HA GLU A 75 8.013 0.753 8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.748 2.657 7.693 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.759 3.563 8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.768 2.825 9.948 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.388 1.991 10.636 1.00 0.00 H new ATOM 1106 N LEU A 76 6.372 3.481 7.959 1.00 0.00 N ATOM 1107 CA LEU A 76 5.151 4.251 8.207 1.00 0.00 C ATOM 1108 C LEU A 76 3.896 3.394 8.022 1.00 0.00 C ATOM 1109 O LEU A 76 2.879 3.630 8.675 1.00 0.00 O ATOM 1110 CB LEU A 76 5.087 5.472 7.285 1.00 0.00 C ATOM 1111 CG LEU A 76 5.866 6.700 7.768 1.00 0.00 C ATOM 1112 CD1 LEU A 76 5.734 7.842 6.771 1.00 0.00 C ATOM 1113 CD2 LEU A 76 5.385 7.135 9.146 1.00 0.00 C ATOM 0 H LEU A 76 6.983 3.876 7.244 1.00 0.00 H new ATOM 0 HA LEU A 76 5.183 4.586 9.244 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.465 5.186 6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.042 5.754 7.154 1.00 0.00 H new ATOM 0 HG LEU A 76 6.919 6.429 7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.294 8.705 7.131 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.130 7.529 5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.683 8.110 6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.951 8.008 9.470 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.325 7.386 9.099 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.534 6.322 9.857 1.00 0.00 H new ATOM 1125 N MET A 77 3.969 2.405 7.129 1.00 0.00 N ATOM 1126 CA MET A 77 2.835 1.524 6.864 1.00 0.00 C ATOM 1127 C MET A 77 2.503 0.669 8.086 1.00 0.00 C ATOM 1128 O MET A 77 1.424 0.803 8.665 1.00 0.00 O ATOM 1129 CB MET A 77 3.123 0.628 5.657 1.00 0.00 C ATOM 1130 CG MET A 77 2.874 1.307 4.319 1.00 0.00 C ATOM 1131 SD MET A 77 1.298 0.833 3.578 1.00 0.00 S ATOM 1132 CE MET A 77 1.427 -0.954 3.590 1.00 0.00 C ATOM 0 H MET A 77 4.802 2.196 6.579 1.00 0.00 H new ATOM 0 HA MET A 77 1.971 2.150 6.641 1.00 0.00 H new ATOM 0 HB2 MET A 77 4.161 0.298 5.700 1.00 0.00 H new ATOM 0 HB3 MET A 77 2.502 -0.265 5.722 1.00 0.00 H new ATOM 0 HG2 MET A 77 2.896 2.388 4.456 1.00 0.00 H new ATOM 0 HG3 MET A 77 3.683 1.056 3.633 1.00 0.00 H new ATOM 0 HE1 MET A 77 0.835 -1.367 2.774 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.470 -1.244 3.465 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.055 -1.339 4.539 1.00 0.00 H new ATOM 1142 N THR A 78 3.432 -0.203 8.480 1.00 0.00 N ATOM 1143 CA THR A 78 3.222 -1.064 9.644 1.00 0.00 C ATOM 1144 C THR A 78 3.060 -0.228 10.913 1.00 0.00 C ATOM 1145 O THR A 78 2.275 -0.572 11.799 1.00 0.00 O ATOM 1146 CB THR A 78 4.379 -2.061 9.805 1.00 0.00 C ATOM 1147 OG1 THR A 78 4.257 -2.788 11.017 1.00 0.00 O ATOM 1148 CG2 THR A 78 5.753 -1.418 9.792 1.00 0.00 C ATOM 0 H THR A 78 4.330 -0.331 8.014 1.00 0.00 H new ATOM 0 HA THR A 78 2.304 -1.629 9.482 1.00 0.00 H new ATOM 0 HB THR A 78 4.301 -2.717 8.938 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.004 -3.418 11.097 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.516 -2.187 9.911 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.904 -0.901 8.844 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.828 -0.703 10.612 1.00 0.00 H new ATOM 1156 N ARG A 79 3.799 0.878 10.986 1.00 0.00 N ATOM 1157 CA ARG A 79 3.736 1.773 12.139 1.00 0.00 C ATOM 1158 C ARG A 79 2.590 2.784 11.999 1.00 0.00 C ATOM 1159 O ARG A 79 2.785 3.986 12.189 1.00 0.00 O ATOM 1160 CB ARG A 79 5.067 2.516 12.312 1.00 0.00 C ATOM 1161 CG ARG A 79 6.221 1.621 12.741 1.00 0.00 C ATOM 1162 CD ARG A 79 7.391 2.438 13.272 1.00 0.00 C ATOM 1163 NE ARG A 79 8.048 3.217 12.219 1.00 0.00 N ATOM 1164 CZ ARG A 79 9.086 4.032 12.430 1.00 0.00 C ATOM 1165 NH1 ARG A 79 9.600 4.167 13.649 1.00 0.00 N ATOM 1166 NH2 ARG A 79 9.614 4.713 11.419 1.00 0.00 N ATOM 0 H ARG A 79 4.449 1.176 10.259 1.00 0.00 H new ATOM 0 HA ARG A 79 3.547 1.163 13.022 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.326 3.001 11.371 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.938 3.306 13.052 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.880 0.929 13.511 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.550 1.019 11.894 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.037 3.112 14.052 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.118 1.770 13.734 1.00 0.00 H new ATOM 0 HE ARG A 79 7.691 3.132 11.267 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.202 3.647 14.431 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.392 4.791 13.802 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.227 4.614 10.480 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.406 5.335 11.581 1.00 0.00 H new ATOM 1180 N THR A 80 1.391 2.292 11.676 1.00 0.00 N ATOM 1181 CA THR A 80 0.221 3.158 11.526 1.00 0.00 C ATOM 1182 C THR A 80 -0.569 3.231 12.833 1.00 0.00 C ATOM 1183 O THR A 80 -0.314 2.463 13.763 1.00 0.00 O ATOM 1184 CB THR A 80 -0.689 2.655 10.401 1.00 0.00 C ATOM 1185 OG1 THR A 80 -0.621 1.241 10.280 1.00 0.00 O ATOM 1186 CG2 THR A 80 -0.355 3.261 9.055 1.00 0.00 C ATOM 0 H THR A 80 1.206 1.302 11.514 1.00 0.00 H new ATOM 0 HA THR A 80 0.577 4.156 11.271 1.00 0.00 H new ATOM 0 HB THR A 80 -1.695 2.966 10.681 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.111 0.999 9.675 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.034 2.866 8.299 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.462 4.345 9.107 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.671 3.010 8.788 1.00 0.00 H new ATOM 1194 N SER A 81 -1.533 4.151 12.897 1.00 0.00 N ATOM 1195 CA SER A 81 -2.363 4.313 14.092 1.00 0.00 C ATOM 1196 C SER A 81 -3.396 3.185 14.195 1.00 0.00 C ATOM 1197 O SER A 81 -3.322 2.201 13.455 1.00 0.00 O ATOM 1198 CB SER A 81 -3.065 5.678 14.076 1.00 0.00 C ATOM 1199 OG SER A 81 -2.341 6.622 13.304 1.00 0.00 O ATOM 0 H SER A 81 -1.758 4.794 12.138 1.00 0.00 H new ATOM 0 HA SER A 81 -1.714 4.264 14.966 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.070 5.567 13.669 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.173 6.046 15.096 1.00 0.00 H new ATOM 0 HG SER A 81 -2.618 6.559 12.366 1.00 0.00 H new ATOM 1205 N SER A 82 -4.355 3.332 15.114 1.00 0.00 N ATOM 1206 CA SER A 82 -5.401 2.325 15.308 1.00 0.00 C ATOM 1207 C SER A 82 -6.060 1.961 13.977 1.00 0.00 C ATOM 1208 O SER A 82 -6.105 0.790 13.597 1.00 0.00 O ATOM 1209 CB SER A 82 -6.458 2.831 16.298 1.00 0.00 C ATOM 1210 OG SER A 82 -6.302 2.224 17.571 1.00 0.00 O ATOM 0 H SER A 82 -4.428 4.138 15.735 1.00 0.00 H new ATOM 0 HA SER A 82 -4.935 1.430 15.719 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.379 3.914 16.396 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.454 2.618 15.910 1.00 0.00 H new ATOM 0 HG SER A 82 -6.987 2.566 18.183 1.00 0.00 H new ATOM 1216 N VAL A 83 -6.554 2.975 13.268 1.00 0.00 N ATOM 1217 CA VAL A 83 -7.193 2.763 11.972 1.00 0.00 C ATOM 1218 C VAL A 83 -6.152 2.741 10.854 1.00 0.00 C ATOM 1219 O VAL A 83 -5.133 3.428 10.931 1.00 0.00 O ATOM 1220 CB VAL A 83 -8.248 3.847 11.675 1.00 0.00 C ATOM 1221 CG1 VAL A 83 -7.601 5.217 11.641 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -8.973 3.551 10.368 1.00 0.00 C ATOM 0 H VAL A 83 -6.524 3.949 13.569 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.696 1.797 12.015 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.988 3.839 12.475 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.358 5.972 11.430 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.140 5.426 12.606 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.839 5.240 10.862 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.713 4.329 10.178 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.253 3.528 9.550 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.472 2.585 10.440 1.00 0.00 H new ATOM 1232 N VAL A 84 -6.411 1.944 9.822 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.494 1.828 8.693 1.00 0.00 C ATOM 1234 C VAL A 84 -6.187 2.202 7.385 1.00 0.00 C ATOM 1235 O VAL A 84 -7.076 1.490 6.916 1.00 0.00 O ATOM 1236 CB VAL A 84 -4.922 0.399 8.575 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -3.860 0.331 7.486 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.356 -0.065 9.912 1.00 0.00 C ATOM 0 H VAL A 84 -7.249 1.368 9.744 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.673 2.521 8.877 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.735 -0.272 8.298 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.471 -0.685 7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.301 0.613 6.530 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.047 1.016 7.727 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.958 -1.074 9.808 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.558 0.610 10.223 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.147 -0.063 10.662 1.00 0.00 H new ATOM 1248 N THR A 85 -5.771 3.326 6.805 1.00 0.00 N ATOM 1249 CA THR A 85 -6.349 3.800 5.550 1.00 0.00 C ATOM 1250 C THR A 85 -5.335 3.694 4.412 1.00 0.00 C ATOM 1251 O THR A 85 -4.392 4.484 4.332 1.00 0.00 O ATOM 1252 CB THR A 85 -6.837 5.250 5.688 1.00 0.00 C ATOM 1253 OG1 THR A 85 -6.262 5.882 6.823 1.00 0.00 O ATOM 1254 CG2 THR A 85 -8.341 5.360 5.815 1.00 0.00 C ATOM 0 H THR A 85 -5.037 3.924 7.184 1.00 0.00 H new ATOM 0 HA THR A 85 -7.204 3.166 5.315 1.00 0.00 H new ATOM 0 HB THR A 85 -6.522 5.744 4.769 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.589 6.804 6.885 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.622 6.409 5.909 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.813 4.936 4.929 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.672 4.815 6.699 1.00 0.00 H new ATOM 1262 N LEU A 86 -5.534 2.711 3.533 1.00 0.00 N ATOM 1263 CA LEU A 86 -4.636 2.502 2.399 1.00 0.00 C ATOM 1264 C LEU A 86 -5.361 2.741 1.078 1.00 0.00 C ATOM 1265 O LEU A 86 -6.453 2.213 0.855 1.00 0.00 O ATOM 1266 CB LEU A 86 -4.061 1.083 2.425 1.00 0.00 C ATOM 1267 CG LEU A 86 -2.653 0.960 3.015 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -2.678 1.199 4.517 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -2.066 -0.408 2.698 1.00 0.00 C ATOM 0 H LEU A 86 -6.308 2.049 3.585 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.819 3.219 2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.735 0.446 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.046 0.696 1.406 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.019 1.722 2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.668 1.107 4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.059 2.200 4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.325 0.461 4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.065 -0.482 3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.700 -1.184 3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.012 -0.539 1.617 1.00 0.00 H new ATOM 1281 N GLU A 87 -4.742 3.534 0.205 1.00 0.00 N ATOM 1282 CA GLU A 87 -5.323 3.840 -1.098 1.00 0.00 C ATOM 1283 C GLU A 87 -4.650 3.014 -2.189 1.00 0.00 C ATOM 1284 O GLU A 87 -3.594 3.387 -2.705 1.00 0.00 O ATOM 1285 CB GLU A 87 -5.199 5.336 -1.419 1.00 0.00 C ATOM 1286 CG GLU A 87 -5.070 6.223 -0.191 1.00 0.00 C ATOM 1287 CD GLU A 87 -5.283 7.690 -0.503 1.00 0.00 C ATOM 1288 OE1 GLU A 87 -4.657 8.192 -1.462 1.00 0.00 O ATOM 1289 OE2 GLU A 87 -6.072 8.338 0.215 1.00 0.00 O ATOM 0 H GLU A 87 -3.839 3.975 0.378 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.382 3.583 -1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.329 5.489 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -6.073 5.648 -1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.795 5.906 0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.081 6.089 0.246 1.00 0.00 H new ATOM 1296 N VAL A 88 -5.266 1.885 -2.529 1.00 0.00 N ATOM 1297 CA VAL A 88 -4.729 0.998 -3.557 1.00 0.00 C ATOM 1298 C VAL A 88 -5.258 1.369 -4.939 1.00 0.00 C ATOM 1299 O VAL A 88 -6.134 2.224 -5.068 1.00 0.00 O ATOM 1300 CB VAL A 88 -5.061 -0.478 -3.267 1.00 0.00 C ATOM 1301 CG1 VAL A 88 -4.250 -0.982 -2.084 1.00 0.00 C ATOM 1302 CG2 VAL A 88 -6.553 -0.664 -3.026 1.00 0.00 C ATOM 0 H VAL A 88 -6.137 1.563 -2.108 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.646 1.123 -3.541 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.791 -1.068 -4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.496 -2.026 -1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.187 -0.895 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.484 -0.386 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.761 -1.715 -2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.861 -0.062 -2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.107 -0.349 -3.910 1.00 0.00 H new ATOM 1312 N ALA A 89 -4.718 0.723 -5.971 1.00 0.00 N ATOM 1313 CA ALA A 89 -5.132 0.993 -7.344 1.00 0.00 C ATOM 1314 C ALA A 89 -5.451 -0.294 -8.095 1.00 0.00 C ATOM 1315 O ALA A 89 -4.582 -1.150 -8.271 1.00 0.00 O ATOM 1316 CB ALA A 89 -4.049 1.771 -8.077 1.00 0.00 C ATOM 0 H ALA A 89 -3.994 0.010 -5.881 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.041 1.593 -7.305 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.370 1.966 -9.100 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.872 2.717 -7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.128 1.188 -8.091 1.00 0.00 H new ATOM 1322 N LYS A 90 -6.702 -0.418 -8.541 1.00 0.00 N ATOM 1323 CA LYS A 90 -7.144 -1.596 -9.286 1.00 0.00 C ATOM 1324 C LYS A 90 -6.258 -1.823 -10.510 1.00 0.00 C ATOM 1325 O LYS A 90 -6.340 -1.084 -11.494 1.00 0.00 O ATOM 1326 CB LYS A 90 -8.607 -1.435 -9.716 1.00 0.00 C ATOM 1327 CG LYS A 90 -9.490 -2.618 -9.348 1.00 0.00 C ATOM 1328 CD LYS A 90 -9.700 -2.720 -7.843 1.00 0.00 C ATOM 1329 CE LYS A 90 -11.008 -2.069 -7.411 1.00 0.00 C ATOM 1330 NZ LYS A 90 -12.197 -2.799 -7.934 1.00 0.00 N ATOM 0 H LYS A 90 -7.428 0.285 -8.399 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.062 -2.465 -8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.014 -0.534 -9.257 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.644 -1.288 -10.795 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.456 -2.519 -9.844 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.036 -3.539 -9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.700 -3.769 -7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.868 -2.242 -7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.054 -2.036 -6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.033 -1.038 -7.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.014 -2.619 -7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.411 -2.469 -8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.997 -3.819 -7.954 1.00 0.00 H new ATOM 1344 N GLN A 91 -5.408 -2.845 -10.438 1.00 0.00 N ATOM 1345 CA GLN A 91 -4.500 -3.169 -11.532 1.00 0.00 C ATOM 1346 C GLN A 91 -5.260 -3.738 -12.731 1.00 0.00 C ATOM 1347 O GLN A 91 -6.487 -3.854 -12.705 1.00 0.00 O ATOM 1348 CB GLN A 91 -3.441 -4.167 -11.053 1.00 0.00 C ATOM 1349 CG GLN A 91 -2.030 -3.859 -11.540 1.00 0.00 C ATOM 1350 CD GLN A 91 -1.595 -2.433 -11.245 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -1.856 -1.527 -12.178 1.00 0.00 O flip ATOM 1352 NE2 GLN A 91 -1.028 -2.149 -10.191 1.00 0.00 N flip ATOM 0 H GLN A 91 -5.330 -3.463 -9.631 1.00 0.00 H new ATOM 0 HA GLN A 91 -4.009 -2.250 -11.852 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.442 -4.186 -9.963 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.720 -5.166 -11.389 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.331 -4.550 -11.070 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.977 -4.034 -12.615 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -0.845 -2.875 -9.498 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -0.740 -1.187 -10.010 1.00 0.00 H new ATOM 1361 N GLY A 92 -4.518 -4.090 -13.780 1.00 0.00 N ATOM 1362 CA GLY A 92 -5.125 -4.638 -14.974 1.00 0.00 C ATOM 1363 C GLY A 92 -4.636 -3.954 -16.236 1.00 0.00 C ATOM 1364 O GLY A 92 -4.371 -2.748 -16.239 1.00 0.00 O ATOM 0 H GLY A 92 -3.502 -4.003 -13.820 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.906 -5.704 -15.033 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.208 -4.538 -14.906 1.00 0.00 H new ATOM 1368 N ALA A 93 -4.517 -4.729 -17.309 1.00 0.00 N ATOM 1369 CA ALA A 93 -4.062 -4.201 -18.594 1.00 0.00 C ATOM 1370 C ALA A 93 -5.183 -3.437 -19.307 1.00 0.00 C ATOM 1371 O ALA A 93 -5.084 -3.249 -20.538 1.00 0.00 O ATOM 1372 CB ALA A 93 -3.542 -5.329 -19.475 1.00 0.00 C ATOM 1373 OXT ALA A 93 -6.149 -3.027 -18.626 1.00 0.00 O ATOM 0 H ALA A 93 -4.729 -5.727 -17.316 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.249 -3.501 -18.403 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.207 -4.921 -20.428 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.707 -5.823 -18.978 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -4.339 -6.051 -19.650 1.00 0.00 H new TER 1379 ALA A 93 ATOM 1380 N LEU B 99 15.267 -0.418 -0.583 1.00 0.00 N ATOM 1381 CA LEU B 99 14.411 -1.608 -0.312 1.00 0.00 C ATOM 1382 C LEU B 99 13.230 -1.679 -1.281 1.00 0.00 C ATOM 1383 O LEU B 99 12.870 -0.682 -1.907 1.00 0.00 O ATOM 1384 CB LEU B 99 13.899 -1.533 1.129 1.00 0.00 C ATOM 1385 CG LEU B 99 14.970 -1.662 2.214 1.00 0.00 C ATOM 1386 CD1 LEU B 99 14.502 -0.996 3.500 1.00 0.00 C ATOM 1387 CD2 LEU B 99 15.306 -3.127 2.457 1.00 0.00 C ATOM 0 HA LEU B 99 15.009 -2.508 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU B 99 13.382 -0.583 1.264 1.00 0.00 H new ATOM 0 HB3 LEU B 99 13.161 -2.321 1.276 1.00 0.00 H new ATOM 0 HG LEU B 99 15.874 -1.156 1.875 1.00 0.00 H new ATOM 0 HD11 LEU B 99 15.274 -1.096 4.263 1.00 0.00 H new ATOM 0 HD12 LEU B 99 14.310 0.061 3.314 1.00 0.00 H new ATOM 0 HD13 LEU B 99 13.586 -1.475 3.846 1.00 0.00 H new ATOM 0 HD21 LEU B 99 16.069 -3.202 3.231 1.00 0.00 H new ATOM 0 HD22 LEU B 99 14.410 -3.657 2.779 1.00 0.00 H new ATOM 0 HD23 LEU B 99 15.680 -3.572 1.535 1.00 0.00 H new ATOM 1401 N PHE B 100 12.633 -2.867 -1.399 1.00 0.00 N ATOM 1402 CA PHE B 100 11.491 -3.072 -2.293 1.00 0.00 C ATOM 1403 C PHE B 100 10.862 -4.453 -2.089 1.00 0.00 C ATOM 1404 O PHE B 100 10.412 -5.090 -3.044 1.00 0.00 O ATOM 1405 CB PHE B 100 11.929 -2.902 -3.754 1.00 0.00 C ATOM 1406 CG PHE B 100 13.183 -3.662 -4.108 1.00 0.00 C ATOM 1407 CD1 PHE B 100 13.119 -4.999 -4.473 1.00 0.00 C ATOM 1408 CD2 PHE B 100 14.425 -3.043 -4.073 1.00 0.00 C ATOM 1409 CE1 PHE B 100 14.265 -5.702 -4.795 1.00 0.00 C ATOM 1410 CE2 PHE B 100 15.575 -3.742 -4.395 1.00 0.00 C ATOM 1411 CZ PHE B 100 15.494 -5.073 -4.756 1.00 0.00 C ATOM 0 H PHE B 100 12.921 -3.701 -0.887 1.00 0.00 H new ATOM 0 HA PHE B 100 10.737 -2.322 -2.053 1.00 0.00 H new ATOM 0 HB2 PHE B 100 11.120 -3.231 -4.406 1.00 0.00 H new ATOM 0 HB3 PHE B 100 12.089 -1.843 -3.954 1.00 0.00 H new ATOM 0 HD1 PHE B 100 12.161 -5.497 -4.506 1.00 0.00 H new ATOM 0 HD2 PHE B 100 14.495 -2.003 -3.791 1.00 0.00 H new ATOM 0 HE1 PHE B 100 14.199 -6.742 -5.077 1.00 0.00 H new ATOM 0 HE2 PHE B 100 16.535 -3.248 -4.364 1.00 0.00 H new ATOM 0 HZ PHE B 100 16.390 -5.621 -5.007 1.00 0.00 H new ATOM 1421 N SER B 101 10.833 -4.912 -0.839 1.00 0.00 N ATOM 1422 CA SER B 101 10.265 -6.217 -0.512 1.00 0.00 C ATOM 1423 C SER B 101 9.970 -6.327 0.988 1.00 0.00 C ATOM 1424 O SER B 101 10.728 -6.950 1.735 1.00 0.00 O ATOM 1425 CB SER B 101 11.227 -7.328 -0.944 1.00 0.00 C ATOM 1426 OG SER B 101 12.513 -7.142 -0.374 1.00 0.00 O ATOM 0 H SER B 101 11.197 -4.399 -0.036 1.00 0.00 H new ATOM 0 HA SER B 101 9.324 -6.327 -1.051 1.00 0.00 H new ATOM 0 HB2 SER B 101 10.828 -8.296 -0.641 1.00 0.00 H new ATOM 0 HB3 SER B 101 11.306 -7.342 -2.031 1.00 0.00 H new ATOM 0 HG SER B 101 12.422 -6.950 0.583 1.00 0.00 H new ATOM 1432 N THR B 102 8.866 -5.716 1.420 1.00 0.00 N ATOM 1433 CA THR B 102 8.473 -5.744 2.830 1.00 0.00 C ATOM 1434 C THR B 102 7.442 -6.857 3.086 1.00 0.00 C ATOM 1435 O THR B 102 7.428 -7.863 2.371 1.00 0.00 O ATOM 1436 CB THR B 102 7.937 -4.370 3.263 1.00 0.00 C ATOM 1437 OG1 THR B 102 8.571 -3.329 2.539 1.00 0.00 O ATOM 1438 CG2 THR B 102 8.146 -4.087 4.740 1.00 0.00 C ATOM 0 H THR B 102 8.229 -5.197 0.816 1.00 0.00 H new ATOM 0 HA THR B 102 9.353 -5.966 3.434 1.00 0.00 H new ATOM 0 HB THR B 102 6.867 -4.401 3.056 1.00 0.00 H new ATOM 0 HG1 THR B 102 9.398 -3.069 2.996 1.00 0.00 H new ATOM 0 HG21 THR B 102 7.746 -3.102 4.982 1.00 0.00 H new ATOM 0 HG22 THR B 102 7.631 -4.843 5.332 1.00 0.00 H new ATOM 0 HG23 THR B 102 9.212 -4.112 4.968 1.00 0.00 H new ATOM 1446 N GLU B 103 6.587 -6.684 4.101 1.00 0.00 N ATOM 1447 CA GLU B 103 5.576 -7.676 4.442 1.00 0.00 C ATOM 1448 C GLU B 103 4.720 -7.134 5.575 1.00 0.00 C ATOM 1449 O GLU B 103 4.490 -7.799 6.587 1.00 0.00 O ATOM 1450 CB GLU B 103 6.229 -9.000 4.854 1.00 0.00 C ATOM 1451 CG GLU B 103 7.348 -8.834 5.878 1.00 0.00 C ATOM 1452 CD GLU B 103 7.144 -9.653 7.144 1.00 0.00 C ATOM 1453 OE1 GLU B 103 6.029 -10.183 7.347 1.00 0.00 O ATOM 1454 OE2 GLU B 103 8.105 -9.764 7.932 1.00 0.00 O ATOM 0 H GLU B 103 6.581 -5.859 4.700 1.00 0.00 H new ATOM 0 HA GLU B 103 4.953 -7.870 3.569 1.00 0.00 H new ATOM 0 HB2 GLU B 103 5.465 -9.660 5.266 1.00 0.00 H new ATOM 0 HB3 GLU B 103 6.629 -9.490 3.967 1.00 0.00 H new ATOM 0 HG2 GLU B 103 8.294 -9.120 5.419 1.00 0.00 H new ATOM 0 HG3 GLU B 103 7.430 -7.781 6.146 1.00 0.00 H new ATOM 1461 N VAL B 104 4.280 -5.899 5.397 1.00 0.00 N ATOM 1462 CA VAL B 104 3.474 -5.213 6.386 1.00 0.00 C ATOM 1463 C VAL B 104 2.207 -5.997 6.744 1.00 0.00 C ATOM 1464 O VAL B 104 1.793 -6.860 5.940 1.00 0.00 O ATOM 1465 CB VAL B 104 3.090 -3.819 5.874 1.00 0.00 C ATOM 1466 CG1 VAL B 104 4.329 -2.997 5.552 1.00 0.00 C ATOM 1467 CG2 VAL B 104 2.182 -3.931 4.657 1.00 0.00 C ATOM 1468 OXT VAL B 104 1.644 -5.742 7.829 1.00 0.00 O ATOM 0 H VAL B 104 4.473 -5.346 4.562 1.00 0.00 H new ATOM 0 HA VAL B 104 4.076 -5.125 7.291 1.00 0.00 H new ATOM 0 HB VAL B 104 2.544 -3.303 6.664 1.00 0.00 H new ATOM 0 HG11 VAL B 104 4.029 -2.013 5.191 1.00 0.00 H new ATOM 0 HG12 VAL B 104 4.935 -2.885 6.451 1.00 0.00 H new ATOM 0 HG13 VAL B 104 4.912 -3.504 4.783 1.00 0.00 H new ATOM 0 HG21 VAL B 104 1.919 -2.933 4.306 1.00 0.00 H new ATOM 0 HG22 VAL B 104 2.701 -4.469 3.864 1.00 0.00 H new ATOM 0 HG23 VAL B 104 1.275 -4.471 4.928 1.00 0.00 H new TER 1478 VAL B 104