USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 973 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 73 TYR OH : rot 180:sc=-0.00137 USER MOD Set 1.2: A 119 ASN : amide:sc= -2.89! C(o=-2.9!,f=-8!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= -9.71! C(o=-9.7!,f=-16!) USER MOD Single : A 15 ASN : amide:sc= -0.184 K(o=-0.18,f=-0.71) USER MOD Single : A 16 ASN : amide:sc= -2.7! C(o=-2.7!,f=-3.4!) USER MOD Single : A 21 THR OG1 : rot 4:sc= 1.34 USER MOD Single : A 31 ASN : amide:sc= -2.31 X(o=-2.3,f=-2.7!) USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -0.0913 (180deg=-0.386) USER MOD Single : A 39 LYS NZ :NH3+ -117:sc= -1.02 (180deg=-2.59!) USER MOD Single : A 42 MET CE :methyl -156:sc= -0.309 (180deg=-1.13) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0.624 K(o=0.62,f=-4!) USER MOD Single : A 55 GLN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 61 THR OG1 : rot 58:sc= 0.0266 USER MOD Single : A 63 GLN : amide:sc= -1.46 K(o=-1.5,f=-2) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -17.6! C(o=-23!,f=-18!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 131:sc= 1.37 (180deg=0.209) USER MOD Single : A 79 HIS :FLIP no HE2:sc= -1.98 F(o=-2.7,f=-2) USER MOD Single : A 81 THR OG1 : rot -150:sc= -0.687 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.821 F(o=-1.8,f=-0.82) USER MOD Single : A 105 MET CE :methyl 149:sc= -0.472 (180deg=-1.06) USER MOD Single : A 106 SER OG : rot -89:sc= 0.618 USER MOD Single : A 111 ASN : amide:sc= -0.19 K(o=-0.19,f=-1.6!) USER MOD Single : A 125 LYS NZ :NH3+ -155:sc= 0.386 (180deg=0.133) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.956 -6.011 -3.484 1.00 0.00 N ATOM 21 CA LYS A 2 -20.879 -5.108 -3.875 1.00 0.00 C ATOM 22 C LYS A 2 -19.545 -5.572 -3.297 1.00 0.00 C ATOM 23 O LYS A 2 -19.388 -5.682 -2.081 1.00 0.00 O ATOM 24 CB LYS A 2 -21.188 -3.683 -3.409 1.00 0.00 C ATOM 25 CG LYS A 2 -21.334 -2.689 -4.551 1.00 0.00 C ATOM 26 CD LYS A 2 -22.788 -2.516 -4.956 1.00 0.00 C ATOM 27 CE LYS A 2 -22.911 -1.983 -6.374 1.00 0.00 C ATOM 28 NZ LYS A 2 -23.094 -3.079 -7.366 1.00 0.00 N ATOM 0 HA LYS A 2 -20.804 -5.117 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -22.109 -3.692 -2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.393 -3.346 -2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -20.922 -1.726 -4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.755 -3.031 -5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -23.304 -3.473 -4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -23.280 -1.832 -4.265 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -23.756 -1.297 -6.432 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -22.018 -1.411 -6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -23.174 -2.674 -8.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -22.276 -3.720 -7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -23.960 -3.609 -7.142 1.00 0.00 H new ATOM 42 N LYS A 3 -18.588 -5.842 -4.179 1.00 0.00 N ATOM 43 CA LYS A 3 -17.266 -6.294 -3.757 1.00 0.00 C ATOM 44 C LYS A 3 -16.173 -5.601 -4.563 1.00 0.00 C ATOM 45 O LYS A 3 -16.297 -5.424 -5.775 1.00 0.00 O ATOM 46 CB LYS A 3 -17.149 -7.810 -3.914 1.00 0.00 C ATOM 47 CG LYS A 3 -17.409 -8.297 -5.331 1.00 0.00 C ATOM 48 CD LYS A 3 -17.402 -9.815 -5.409 1.00 0.00 C ATOM 49 CE LYS A 3 -16.070 -10.341 -5.921 1.00 0.00 C ATOM 50 NZ LYS A 3 -16.224 -11.633 -6.645 1.00 0.00 N ATOM 0 H LYS A 3 -18.702 -5.756 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.138 -6.034 -2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.150 -8.123 -3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.855 -8.292 -3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.371 -7.918 -5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.649 -7.894 -6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.604 -10.232 -4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.204 -10.150 -6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.620 -9.604 -6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.386 -10.474 -5.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.294 -11.958 -6.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -16.630 -12.344 -6.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.856 -11.501 -7.460 1.00 0.00 H new ATOM 64 N LEU A 4 -15.101 -5.209 -3.880 1.00 0.00 N ATOM 65 CA LEU A 4 -13.986 -4.535 -4.531 1.00 0.00 C ATOM 66 C LEU A 4 -12.657 -4.952 -3.908 1.00 0.00 C ATOM 67 O LEU A 4 -12.550 -5.105 -2.691 1.00 0.00 O ATOM 68 CB LEU A 4 -14.158 -3.017 -4.438 1.00 0.00 C ATOM 69 CG LEU A 4 -14.654 -2.503 -3.086 1.00 0.00 C ATOM 70 CD1 LEU A 4 -13.486 -2.288 -2.138 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.444 -1.214 -3.263 1.00 0.00 C ATOM 0 H LEU A 4 -14.983 -5.347 -2.876 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.978 -4.828 -5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.201 -2.544 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.858 -2.698 -5.210 1.00 0.00 H new ATOM 0 HG LEU A 4 -15.315 -3.254 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.857 -1.922 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.961 -3.231 -1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.801 -1.556 -2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.789 -0.862 -2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.806 -0.456 -3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.303 -1.399 -3.908 1.00 0.00 H new ATOM 83 N GLN A 5 -11.650 -5.143 -4.753 1.00 0.00 N ATOM 84 CA GLN A 5 -10.328 -5.555 -4.293 1.00 0.00 C ATOM 85 C GLN A 5 -9.344 -4.394 -4.270 1.00 0.00 C ATOM 86 O GLN A 5 -9.474 -3.429 -5.021 1.00 0.00 O ATOM 87 CB GLN A 5 -9.776 -6.657 -5.190 1.00 0.00 C ATOM 88 CG GLN A 5 -10.729 -7.822 -5.348 1.00 0.00 C ATOM 89 CD GLN A 5 -10.047 -9.075 -5.859 1.00 0.00 C ATOM 90 OE1 GLN A 5 -9.926 -10.068 -5.140 1.00 0.00 O ATOM 91 NE2 GLN A 5 -9.594 -9.037 -7.107 1.00 0.00 N ATOM 0 H GLN A 5 -11.724 -5.019 -5.763 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.446 -5.924 -3.274 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.553 -6.241 -6.173 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.835 -7.018 -4.776 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.197 -8.035 -4.387 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.527 -7.542 -6.036 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.715 -8.194 -7.668 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.125 -9.851 -7.504 1.00 0.00 H new ATOM 100 N ILE A 6 -8.349 -4.518 -3.402 1.00 0.00 N ATOM 101 CA ILE A 6 -7.311 -3.516 -3.252 1.00 0.00 C ATOM 102 C ILE A 6 -5.987 -4.188 -2.910 1.00 0.00 C ATOM 103 O ILE A 6 -5.917 -4.984 -1.974 1.00 0.00 O ATOM 104 CB ILE A 6 -7.659 -2.513 -2.142 1.00 0.00 C ATOM 105 CG1 ILE A 6 -9.100 -2.024 -2.285 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.690 -1.351 -2.179 1.00 0.00 C ATOM 107 CD1 ILE A 6 -10.099 -2.867 -1.523 1.00 0.00 C ATOM 0 H ILE A 6 -8.242 -5.320 -2.782 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.229 -2.980 -4.197 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.572 -3.012 -1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.163 -0.994 -1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.371 -2.018 -3.341 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.941 -0.642 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.675 -1.719 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.755 -0.854 -3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.101 -2.464 -1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.064 -3.893 -1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.853 -2.852 -0.461 1.00 0.00 H new ATOM 119 N ALA A 7 -4.935 -3.867 -3.656 1.00 0.00 N ATOM 120 CA ALA A 7 -3.627 -4.455 -3.394 1.00 0.00 C ATOM 121 C ALA A 7 -2.598 -3.366 -3.186 1.00 0.00 C ATOM 122 O ALA A 7 -2.430 -2.507 -4.038 1.00 0.00 O ATOM 123 CB ALA A 7 -3.211 -5.363 -4.541 1.00 0.00 C ATOM 0 H ALA A 7 -4.961 -3.211 -4.437 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.691 -5.055 -2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.232 -5.793 -4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.942 -6.163 -4.655 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.160 -4.784 -5.463 1.00 0.00 H new ATOM 129 N VAL A 8 -1.910 -3.404 -2.053 1.00 0.00 N ATOM 130 CA VAL A 8 -0.904 -2.395 -1.751 1.00 0.00 C ATOM 131 C VAL A 8 0.483 -3.007 -1.610 1.00 0.00 C ATOM 132 O VAL A 8 0.633 -4.198 -1.339 1.00 0.00 O ATOM 133 CB VAL A 8 -1.259 -1.591 -0.469 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.626 -1.990 0.069 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.193 -1.758 0.610 1.00 0.00 C ATOM 0 H VAL A 8 -2.028 -4.117 -1.333 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.894 -1.707 -2.597 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.293 -0.538 -0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.847 -1.411 0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.386 -1.793 -0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.625 -3.052 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.474 -1.182 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.107 -2.811 0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.765 -1.400 0.233 1.00 0.00 H new ATOM 145 N GLY A 9 1.489 -2.163 -1.782 1.00 0.00 N ATOM 146 CA GLY A 9 2.862 -2.597 -1.661 1.00 0.00 C ATOM 147 C GLY A 9 3.715 -1.543 -0.997 1.00 0.00 C ATOM 148 O GLY A 9 3.999 -0.499 -1.585 1.00 0.00 O ATOM 0 H GLY A 9 1.375 -1.174 -2.006 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.904 -3.520 -1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.263 -2.822 -2.649 1.00 0.00 H new ATOM 152 N ILE A 10 4.118 -1.810 0.235 1.00 0.00 N ATOM 153 CA ILE A 10 4.938 -0.870 0.984 1.00 0.00 C ATOM 154 C ILE A 10 6.350 -0.816 0.391 1.00 0.00 C ATOM 155 O ILE A 10 7.188 -1.672 0.658 1.00 0.00 O ATOM 156 CB ILE A 10 4.959 -1.249 2.484 1.00 0.00 C ATOM 157 CG1 ILE A 10 5.439 -0.068 3.328 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.805 -2.490 2.734 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.426 0.388 4.354 1.00 0.00 C ATOM 0 H ILE A 10 3.891 -2.668 0.737 1.00 0.00 H new ATOM 0 HA ILE A 10 4.505 0.127 0.905 1.00 0.00 H new ATOM 0 HB ILE A 10 3.940 -1.490 2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.361 -0.346 3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.678 0.766 2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.797 -2.727 3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.395 -3.329 2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.829 -2.303 2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.832 1.228 4.917 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.511 0.697 3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.204 -0.433 5.036 1.00 0.00 H new ATOM 171 N ILE A 11 6.571 0.185 -0.464 1.00 0.00 N ATOM 172 CA ILE A 11 7.842 0.358 -1.170 1.00 0.00 C ATOM 173 C ILE A 11 8.990 0.821 -0.259 1.00 0.00 C ATOM 174 O ILE A 11 8.916 1.869 0.382 1.00 0.00 O ATOM 175 CB ILE A 11 7.656 1.334 -2.361 1.00 0.00 C ATOM 176 CG1 ILE A 11 8.634 0.997 -3.494 1.00 0.00 C ATOM 177 CG2 ILE A 11 7.796 2.784 -1.921 1.00 0.00 C ATOM 178 CD1 ILE A 11 8.785 2.095 -4.536 1.00 0.00 C ATOM 0 H ILE A 11 5.875 0.897 -0.686 1.00 0.00 H new ATOM 0 HA ILE A 11 8.134 -0.624 -1.541 1.00 0.00 H new ATOM 0 HB ILE A 11 6.642 1.210 -2.741 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.612 0.784 -3.063 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.299 0.086 -3.989 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.660 3.440 -2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.041 3.010 -1.169 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.788 2.942 -1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.494 1.776 -5.300 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.818 2.294 -4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.152 3.003 -4.057 1.00 0.00 H new ATOM 190 N ARG A 12 10.055 0.009 -0.214 1.00 0.00 N ATOM 191 CA ARG A 12 11.236 0.291 0.601 1.00 0.00 C ATOM 192 C ARG A 12 12.322 0.996 -0.205 1.00 0.00 C ATOM 193 O ARG A 12 12.506 0.712 -1.391 1.00 0.00 O ATOM 194 CB ARG A 12 11.798 -1.013 1.168 1.00 0.00 C ATOM 195 CG ARG A 12 11.499 -1.203 2.638 1.00 0.00 C ATOM 196 CD ARG A 12 12.770 -1.377 3.455 1.00 0.00 C ATOM 197 NE ARG A 12 13.350 -2.708 3.290 1.00 0.00 N ATOM 198 CZ ARG A 12 14.225 -3.246 4.136 1.00 0.00 C ATOM 199 NH1 ARG A 12 14.626 -2.570 5.207 1.00 0.00 N ATOM 200 NH2 ARG A 12 14.702 -4.462 3.911 1.00 0.00 N ATOM 0 H ARG A 12 10.118 -0.861 -0.743 1.00 0.00 H new ATOM 0 HA ARG A 12 10.928 0.952 1.411 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.385 -1.852 0.609 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.878 -1.031 1.018 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.943 -0.343 3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.860 -2.076 2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.499 -0.624 3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.550 -1.206 4.509 1.00 0.00 H new ATOM 0 HE ARG A 12 13.067 -3.257 2.478 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.263 -1.633 5.384 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.297 -2.988 5.852 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.398 -4.985 3.090 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.373 -4.875 4.559 1.00 0.00 H new ATOM 214 N ASN A 13 13.047 1.904 0.458 1.00 0.00 N ATOM 215 CA ASN A 13 14.128 2.646 -0.195 1.00 0.00 C ATOM 216 C ASN A 13 15.507 2.105 0.180 1.00 0.00 C ATOM 217 O ASN A 13 15.638 1.067 0.828 1.00 0.00 O ATOM 218 CB ASN A 13 14.058 4.146 0.119 1.00 0.00 C ATOM 219 CG ASN A 13 13.962 4.450 1.596 1.00 0.00 C ATOM 220 OD1 ASN A 13 12.909 4.280 2.205 1.00 0.00 O ATOM 221 ND2 ASN A 13 15.059 4.930 2.172 1.00 0.00 N ATOM 0 H ASN A 13 12.905 2.141 1.440 1.00 0.00 H new ATOM 0 HA ASN A 13 13.986 2.506 -1.267 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.943 4.636 -0.288 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.194 4.575 -0.389 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.050 5.175 3.162 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.910 5.054 1.624 1.00 0.00 H new ATOM 228 N GLU A 14 16.531 2.826 -0.271 1.00 0.00 N ATOM 229 CA GLU A 14 17.929 2.467 -0.049 1.00 0.00 C ATOM 230 C GLU A 14 18.388 2.669 1.402 1.00 0.00 C ATOM 231 O GLU A 14 19.556 2.443 1.717 1.00 0.00 O ATOM 232 CB GLU A 14 18.792 3.322 -0.978 1.00 0.00 C ATOM 233 CG GLU A 14 20.290 3.153 -0.772 1.00 0.00 C ATOM 234 CD GLU A 14 20.883 4.232 0.113 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.684 5.426 -0.193 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.546 3.882 1.112 1.00 0.00 O ATOM 0 H GLU A 14 16.412 3.686 -0.807 1.00 0.00 H new ATOM 0 HA GLU A 14 18.036 1.403 -0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.549 3.074 -2.011 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.533 4.371 -0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.484 2.177 -0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.790 3.167 -1.740 1.00 0.00 H new ATOM 243 N ASN A 15 17.493 3.103 2.279 1.00 0.00 N ATOM 244 CA ASN A 15 17.861 3.335 3.675 1.00 0.00 C ATOM 245 C ASN A 15 16.976 2.543 4.630 1.00 0.00 C ATOM 246 O ASN A 15 16.532 3.064 5.652 1.00 0.00 O ATOM 247 CB ASN A 15 17.776 4.827 4.001 1.00 0.00 C ATOM 248 CG ASN A 15 18.507 5.182 5.280 1.00 0.00 C ATOM 249 OD1 ASN A 15 17.896 5.606 6.261 1.00 0.00 O ATOM 250 ND2 ASN A 15 19.824 5.010 5.276 1.00 0.00 N ATOM 0 H ASN A 15 16.518 3.301 2.056 1.00 0.00 H new ATOM 0 HA ASN A 15 18.887 2.992 3.808 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.196 5.401 3.175 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.729 5.117 4.092 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.370 5.232 6.109 1.00 0.00 H new ATOM 0 HD22 ASN A 15 20.290 4.656 4.440 1.00 0.00 H new ATOM 257 N ASN A 16 16.721 1.282 4.290 1.00 0.00 N ATOM 258 CA ASN A 16 15.884 0.413 5.118 1.00 0.00 C ATOM 259 C ASN A 16 14.611 1.133 5.562 1.00 0.00 C ATOM 260 O ASN A 16 14.032 0.818 6.602 1.00 0.00 O ATOM 261 CB ASN A 16 16.666 -0.084 6.339 1.00 0.00 C ATOM 262 CG ASN A 16 16.983 1.024 7.326 1.00 0.00 C ATOM 263 OD1 ASN A 16 18.049 1.637 7.266 1.00 0.00 O ATOM 264 ND2 ASN A 16 16.056 1.285 8.240 1.00 0.00 N ATOM 0 H ASN A 16 17.082 0.837 3.446 1.00 0.00 H new ATOM 0 HA ASN A 16 15.595 -0.446 4.513 1.00 0.00 H new ATOM 0 HB2 ASN A 16 16.089 -0.859 6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 16 17.596 -0.545 6.006 1.00 0.00 H new ATOM 0 HD21 ASN A 16 16.213 2.019 8.930 1.00 0.00 H new ATOM 0 HD22 ASN A 16 15.187 0.751 8.252 1.00 0.00 H new ATOM 271 N GLU A 17 14.181 2.096 4.755 1.00 0.00 N ATOM 272 CA GLU A 17 12.979 2.865 5.039 1.00 0.00 C ATOM 273 C GLU A 17 11.925 2.585 3.977 1.00 0.00 C ATOM 274 O GLU A 17 12.236 2.070 2.904 1.00 0.00 O ATOM 275 CB GLU A 17 13.289 4.362 5.100 1.00 0.00 C ATOM 276 CG GLU A 17 14.402 4.719 6.071 1.00 0.00 C ATOM 277 CD GLU A 17 14.088 5.956 6.890 1.00 0.00 C ATOM 278 OE1 GLU A 17 13.356 6.832 6.385 1.00 0.00 O ATOM 279 OE2 GLU A 17 14.574 6.049 8.038 1.00 0.00 O ATOM 0 H GLU A 17 14.653 2.363 3.891 1.00 0.00 H new ATOM 0 HA GLU A 17 12.595 2.561 6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.564 4.707 4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.385 4.899 5.385 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.577 3.878 6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.326 4.881 5.515 1.00 0.00 H new ATOM 286 N ILE A 18 10.676 2.895 4.286 1.00 0.00 N ATOM 287 CA ILE A 18 9.585 2.646 3.355 1.00 0.00 C ATOM 288 C ILE A 18 8.775 3.919 3.092 1.00 0.00 C ATOM 289 O ILE A 18 8.405 4.634 4.023 1.00 0.00 O ATOM 290 CB ILE A 18 8.683 1.517 3.906 1.00 0.00 C ATOM 291 CG1 ILE A 18 8.556 0.379 2.896 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.308 2.033 4.316 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.703 -0.993 3.522 1.00 0.00 C ATOM 0 H ILE A 18 10.392 3.318 5.170 1.00 0.00 H new ATOM 0 HA ILE A 18 10.005 2.331 2.400 1.00 0.00 H new ATOM 0 HB ILE A 18 9.165 1.130 4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.586 0.445 2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.314 0.502 2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.708 1.207 4.697 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.420 2.789 5.093 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.812 2.473 3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.603 -1.757 2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.684 -1.076 3.990 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.928 -1.134 4.276 1.00 0.00 H new ATOM 305 N PHE A 19 8.507 4.198 1.816 1.00 0.00 N ATOM 306 CA PHE A 19 7.745 5.384 1.438 1.00 0.00 C ATOM 307 C PHE A 19 6.244 5.103 1.503 1.00 0.00 C ATOM 308 O PHE A 19 5.747 4.165 0.881 1.00 0.00 O ATOM 309 CB PHE A 19 8.170 5.863 0.033 1.00 0.00 C ATOM 310 CG PHE A 19 7.038 6.255 -0.890 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.002 7.067 -0.451 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.014 5.802 -2.198 1.00 0.00 C ATOM 313 CE1 PHE A 19 4.968 7.415 -1.301 1.00 0.00 C ATOM 314 CE2 PHE A 19 5.984 6.148 -3.050 1.00 0.00 C ATOM 315 CZ PHE A 19 4.960 6.954 -2.600 1.00 0.00 C ATOM 0 H PHE A 19 8.806 3.620 1.031 1.00 0.00 H new ATOM 0 HA PHE A 19 7.960 6.184 2.147 1.00 0.00 H new ATOM 0 HB2 PHE A 19 8.837 6.718 0.146 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.746 5.070 -0.443 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.003 7.431 0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.812 5.169 -2.557 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.167 8.048 -0.947 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.981 5.788 -4.068 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.153 7.224 -3.264 1.00 0.00 H new ATOM 325 N ILE A 20 5.532 5.940 2.252 1.00 0.00 N ATOM 326 CA ILE A 20 4.088 5.809 2.397 1.00 0.00 C ATOM 327 C ILE A 20 3.398 7.093 1.948 1.00 0.00 C ATOM 328 O ILE A 20 3.683 8.172 2.467 1.00 0.00 O ATOM 329 CB ILE A 20 3.673 5.502 3.857 1.00 0.00 C ATOM 330 CG1 ILE A 20 4.892 5.456 4.784 1.00 0.00 C ATOM 331 CG2 ILE A 20 2.904 4.192 3.926 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.539 5.562 6.250 1.00 0.00 C ATOM 0 H ILE A 20 5.936 6.720 2.770 1.00 0.00 H new ATOM 0 HA ILE A 20 3.779 4.972 1.771 1.00 0.00 H new ATOM 0 HB ILE A 20 3.024 6.309 4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.432 4.524 4.615 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.569 6.269 4.522 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.620 3.991 4.959 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.007 4.264 3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.533 3.381 3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.450 5.523 6.847 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.025 6.506 6.433 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.887 4.734 6.528 1.00 0.00 H new ATOM 344 N THR A 21 2.497 6.976 0.982 1.00 0.00 N ATOM 345 CA THR A 21 1.781 8.138 0.469 1.00 0.00 C ATOM 346 C THR A 21 0.778 8.662 1.491 1.00 0.00 C ATOM 347 O THR A 21 -0.223 8.009 1.784 1.00 0.00 O ATOM 348 CB THR A 21 1.058 7.789 -0.830 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.076 6.981 -0.574 1.00 0.00 O ATOM 350 CG2 THR A 21 1.929 7.055 -1.827 1.00 0.00 C ATOM 0 H THR A 21 2.245 6.093 0.539 1.00 0.00 H new ATOM 0 HA THR A 21 2.515 8.920 0.272 1.00 0.00 H new ATOM 0 HB THR A 21 0.771 8.748 -1.262 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.192 6.877 0.394 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.351 6.839 -2.725 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.786 7.676 -2.088 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.278 6.121 -1.387 1.00 0.00 H new ATOM 358 N ARG A 22 1.045 9.849 2.023 1.00 0.00 N ATOM 359 CA ARG A 22 0.157 10.459 3.002 1.00 0.00 C ATOM 360 C ARG A 22 -0.762 11.466 2.327 1.00 0.00 C ATOM 361 O ARG A 22 -0.593 11.782 1.149 1.00 0.00 O ATOM 362 CB ARG A 22 0.970 11.144 4.102 1.00 0.00 C ATOM 363 CG ARG A 22 0.215 11.295 5.414 1.00 0.00 C ATOM 364 CD ARG A 22 -0.111 12.751 5.708 1.00 0.00 C ATOM 365 NE ARG A 22 0.000 13.059 7.133 1.00 0.00 N ATOM 366 CZ ARG A 22 1.158 13.222 7.768 1.00 0.00 C ATOM 367 NH1 ARG A 22 2.306 13.107 7.111 1.00 0.00 N ATOM 368 NH2 ARG A 22 1.170 13.500 9.065 1.00 0.00 N ATOM 0 H ARG A 22 1.868 10.406 1.793 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.452 9.676 3.452 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.880 10.571 4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.278 12.130 3.754 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.708 10.716 5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.812 10.884 6.228 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.564 13.395 5.144 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.122 12.972 5.367 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.861 13.155 7.672 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.304 12.893 6.114 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.190 13.233 7.603 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.292 13.589 9.576 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.058 13.625 9.552 1.00 0.00 H new ATOM 493 N ASN A 31 -5.455 12.252 8.305 1.00 0.00 N ATOM 494 CA ASN A 31 -5.115 11.074 9.095 1.00 0.00 C ATOM 495 C ASN A 31 -5.424 9.782 8.336 1.00 0.00 C ATOM 496 O ASN A 31 -5.755 8.764 8.943 1.00 0.00 O ATOM 497 CB ASN A 31 -5.881 11.102 10.419 1.00 0.00 C ATOM 498 CG ASN A 31 -4.990 11.423 11.605 1.00 0.00 C ATOM 499 OD1 ASN A 31 -5.172 10.882 12.696 1.00 0.00 O ATOM 500 ND2 ASN A 31 -4.022 12.310 11.400 1.00 0.00 N ATOM 0 HA ASN A 31 -4.043 11.095 9.292 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.678 11.843 10.357 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.357 10.135 10.579 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.395 12.566 12.163 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.906 12.735 10.480 1.00 0.00 H new ATOM 507 N LYS A 32 -5.316 9.826 7.010 1.00 0.00 N ATOM 508 CA LYS A 32 -5.587 8.651 6.184 1.00 0.00 C ATOM 509 C LYS A 32 -4.332 8.160 5.476 1.00 0.00 C ATOM 510 O LYS A 32 -4.407 7.529 4.422 1.00 0.00 O ATOM 511 CB LYS A 32 -6.685 8.946 5.164 1.00 0.00 C ATOM 512 CG LYS A 32 -8.005 8.261 5.482 1.00 0.00 C ATOM 513 CD LYS A 32 -9.098 9.270 5.797 1.00 0.00 C ATOM 514 CE LYS A 32 -9.955 9.561 4.576 1.00 0.00 C ATOM 515 NZ LYS A 32 -9.129 9.790 3.358 1.00 0.00 N ATOM 0 H LYS A 32 -5.044 10.658 6.486 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.929 7.859 6.851 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.846 10.023 5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.348 8.629 4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.310 7.646 4.635 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.872 7.591 6.331 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.727 8.888 6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.648 10.196 6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.634 8.726 4.402 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.572 10.439 4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.706 10.259 2.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.316 10.393 3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.787 8.878 2.994 1.00 0.00 H new ATOM 529 N LEU A 33 -3.185 8.449 6.070 1.00 0.00 N ATOM 530 CA LEU A 33 -1.894 8.036 5.516 1.00 0.00 C ATOM 531 C LEU A 33 -1.959 6.595 5.006 1.00 0.00 C ATOM 532 O LEU A 33 -2.280 5.681 5.762 1.00 0.00 O ATOM 533 CB LEU A 33 -0.810 8.165 6.589 1.00 0.00 C ATOM 534 CG LEU A 33 0.630 8.149 6.074 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.594 8.551 7.180 1.00 0.00 C ATOM 536 CD2 LEU A 33 0.985 6.774 5.527 1.00 0.00 C ATOM 0 H LEU A 33 -3.116 8.972 6.943 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.650 8.685 4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.972 9.094 7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.931 7.351 7.303 1.00 0.00 H new ATOM 0 HG LEU A 33 0.716 8.873 5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.614 8.535 6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.352 9.556 7.526 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.507 7.851 8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.013 6.781 5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.884 6.031 6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.313 6.524 4.706 1.00 0.00 H new ATOM 548 N GLU A 34 -1.671 6.397 3.722 1.00 0.00 N ATOM 549 CA GLU A 34 -1.723 5.059 3.140 1.00 0.00 C ATOM 550 C GLU A 34 -0.582 4.820 2.155 1.00 0.00 C ATOM 551 O GLU A 34 0.297 5.663 1.983 1.00 0.00 O ATOM 552 CB GLU A 34 -3.067 4.836 2.444 1.00 0.00 C ATOM 553 CG GLU A 34 -4.116 4.197 3.340 1.00 0.00 C ATOM 554 CD GLU A 34 -5.530 4.588 2.954 1.00 0.00 C ATOM 555 OE1 GLU A 34 -6.076 3.980 2.009 1.00 0.00 O ATOM 556 OE2 GLU A 34 -6.089 5.501 3.595 1.00 0.00 O ATOM 0 H GLU A 34 -1.403 7.136 3.072 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.612 4.345 3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.443 5.793 2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.914 4.204 1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.017 3.113 3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.932 4.489 4.374 1.00 0.00 H new ATOM 563 N PHE A 35 -0.604 3.651 1.517 1.00 0.00 N ATOM 564 CA PHE A 35 0.428 3.280 0.553 1.00 0.00 C ATOM 565 C PHE A 35 -0.165 3.023 -0.835 1.00 0.00 C ATOM 566 O PHE A 35 -1.369 2.809 -0.980 1.00 0.00 O ATOM 567 CB PHE A 35 1.197 2.030 1.019 1.00 0.00 C ATOM 568 CG PHE A 35 0.777 1.498 2.365 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.503 1.004 2.564 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.665 1.490 3.427 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.887 0.514 3.798 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.287 1.001 4.663 1.00 0.00 C ATOM 573 CZ PHE A 35 0.008 0.514 4.849 1.00 0.00 C ATOM 0 H PHE A 35 -1.327 2.944 1.651 1.00 0.00 H new ATOM 0 HA PHE A 35 1.118 4.122 0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.068 1.243 0.276 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.261 2.266 1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.208 1.002 1.746 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.666 1.871 3.288 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.887 0.131 3.940 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.991 1.000 5.482 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.291 0.134 5.815 1.00 0.00 H new ATOM 583 N PRO A 36 0.693 3.015 -1.872 1.00 0.00 N ATOM 584 CA PRO A 36 0.286 2.753 -3.260 1.00 0.00 C ATOM 585 C PRO A 36 -0.409 1.404 -3.401 1.00 0.00 C ATOM 586 O PRO A 36 -0.384 0.589 -2.477 1.00 0.00 O ATOM 587 CB PRO A 36 1.605 2.763 -4.045 1.00 0.00 C ATOM 588 CG PRO A 36 2.671 2.589 -3.019 1.00 0.00 C ATOM 589 CD PRO A 36 2.146 3.232 -1.769 1.00 0.00 C ATOM 0 HA PRO A 36 -0.431 3.491 -3.619 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.632 1.959 -4.781 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.732 3.698 -4.590 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.886 1.533 -2.855 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.601 3.058 -3.339 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.561 2.771 -0.873 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.394 4.293 -1.726 1.00 0.00 H new ATOM 597 N GLY A 37 -1.036 1.164 -4.553 1.00 0.00 N ATOM 598 CA GLY A 37 -1.725 -0.096 -4.755 1.00 0.00 C ATOM 599 C GLY A 37 -3.228 -0.001 -4.604 1.00 0.00 C ATOM 600 O GLY A 37 -3.837 -0.662 -3.764 1.00 0.00 O ATOM 0 H GLY A 37 -1.078 1.813 -5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.492 -0.471 -5.752 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.343 -0.827 -4.042 1.00 0.00 H new ATOM 604 N GLY A 38 -3.808 0.831 -5.436 1.00 0.00 N ATOM 605 CA GLY A 38 -5.242 1.040 -5.437 1.00 0.00 C ATOM 606 C GLY A 38 -5.845 0.879 -6.824 1.00 0.00 C ATOM 607 O GLY A 38 -5.398 1.533 -7.768 1.00 0.00 O ATOM 0 H GLY A 38 -3.304 1.382 -6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.711 0.332 -4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.462 2.039 -5.061 1.00 0.00 H new ATOM 611 N LYS A 39 -6.863 0.010 -6.940 1.00 0.00 N ATOM 612 CA LYS A 39 -7.559 -0.252 -8.209 1.00 0.00 C ATOM 613 C LYS A 39 -7.137 -1.580 -8.839 1.00 0.00 C ATOM 614 O LYS A 39 -7.607 -1.930 -9.922 1.00 0.00 O ATOM 615 CB LYS A 39 -7.352 0.878 -9.220 1.00 0.00 C ATOM 616 CG LYS A 39 -8.223 0.742 -10.458 1.00 0.00 C ATOM 617 CD LYS A 39 -9.075 1.982 -10.692 1.00 0.00 C ATOM 618 CE LYS A 39 -8.234 3.249 -10.714 1.00 0.00 C ATOM 619 NZ LYS A 39 -8.270 3.964 -9.407 1.00 0.00 N ATOM 0 H LYS A 39 -7.226 -0.531 -6.155 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.618 -0.310 -7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.565 1.832 -8.737 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.305 0.900 -9.521 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.591 0.566 -11.329 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.870 -0.129 -10.353 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.608 1.883 -11.637 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.828 2.059 -9.908 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.203 2.996 -10.961 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.596 3.911 -11.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.703 4.901 -9.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.831 3.414 -8.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.301 4.077 -9.047 1.00 0.00 H new ATOM 633 N ILE A 40 -6.264 -2.325 -8.166 1.00 0.00 N ATOM 634 CA ILE A 40 -5.812 -3.619 -8.686 1.00 0.00 C ATOM 635 C ILE A 40 -6.997 -4.492 -9.061 1.00 0.00 C ATOM 636 O ILE A 40 -6.909 -5.356 -9.933 1.00 0.00 O ATOM 637 CB ILE A 40 -4.912 -4.371 -7.681 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.749 -5.116 -6.625 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.948 -3.398 -7.022 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.296 -6.541 -6.390 1.00 0.00 C ATOM 0 H ILE A 40 -5.857 -2.062 -7.269 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.219 -3.409 -9.576 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.339 -5.120 -8.227 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.702 -4.569 -5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.793 -5.122 -6.939 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.316 -3.935 -6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.324 -2.932 -7.784 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.512 -2.629 -6.494 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.930 -7.004 -5.634 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.369 -7.104 -7.320 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.262 -6.542 -6.046 1.00 0.00 H new ATOM 652 N GLU A 41 -8.103 -4.252 -8.376 1.00 0.00 N ATOM 653 CA GLU A 41 -9.333 -4.995 -8.596 1.00 0.00 C ATOM 654 C GLU A 41 -9.628 -5.135 -10.084 1.00 0.00 C ATOM 655 O GLU A 41 -9.344 -6.174 -10.676 1.00 0.00 O ATOM 656 CB GLU A 41 -10.500 -4.313 -7.876 1.00 0.00 C ATOM 657 CG GLU A 41 -10.426 -2.788 -7.866 1.00 0.00 C ATOM 658 CD GLU A 41 -11.659 -2.136 -8.464 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.281 -2.749 -9.357 1.00 0.00 O ATOM 660 OE2 GLU A 41 -12.002 -1.014 -8.038 1.00 0.00 O ATOM 0 H GLU A 41 -8.174 -3.537 -7.652 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.206 -5.996 -8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.433 -4.617 -8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.536 -4.670 -6.847 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.299 -2.442 -6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.545 -2.468 -8.422 1.00 0.00 H new ATOM 667 N MET A 42 -10.188 -4.079 -10.676 1.00 0.00 N ATOM 668 CA MET A 42 -10.520 -4.061 -12.104 1.00 0.00 C ATOM 669 C MET A 42 -10.948 -5.443 -12.607 1.00 0.00 C ATOM 670 O MET A 42 -12.136 -5.762 -12.636 1.00 0.00 O ATOM 671 CB MET A 42 -9.327 -3.550 -12.916 1.00 0.00 C ATOM 672 CG MET A 42 -9.080 -2.059 -12.761 1.00 0.00 C ATOM 673 SD MET A 42 -10.437 -1.060 -13.403 1.00 0.00 S ATOM 674 CE MET A 42 -10.697 -1.826 -15.001 1.00 0.00 C ATOM 0 H MET A 42 -10.423 -3.217 -10.184 1.00 0.00 H new ATOM 0 HA MET A 42 -11.365 -3.385 -12.238 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.432 -4.092 -12.611 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.492 -3.775 -13.970 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.930 -1.827 -11.707 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.160 -1.791 -13.280 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.168 -1.110 -15.675 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.738 -2.138 -15.415 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.344 -2.696 -14.887 1.00 0.00 H new ATOM 684 N GLY A 43 -9.970 -6.257 -13.000 1.00 0.00 N ATOM 685 CA GLY A 43 -10.263 -7.589 -13.491 1.00 0.00 C ATOM 686 C GLY A 43 -9.039 -8.477 -13.526 1.00 0.00 C ATOM 687 O GLY A 43 -8.954 -9.401 -14.336 1.00 0.00 O ATOM 0 H GLY A 43 -8.979 -6.015 -12.986 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.022 -8.047 -12.857 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.685 -7.518 -14.493 1.00 0.00 H new ATOM 691 N GLU A 44 -8.089 -8.194 -12.650 1.00 0.00 N ATOM 692 CA GLU A 44 -6.855 -8.970 -12.584 1.00 0.00 C ATOM 693 C GLU A 44 -6.946 -10.058 -11.520 1.00 0.00 C ATOM 694 O GLU A 44 -7.989 -10.242 -10.893 1.00 0.00 O ATOM 695 CB GLU A 44 -5.669 -8.051 -12.292 1.00 0.00 C ATOM 696 CG GLU A 44 -5.001 -7.502 -13.543 1.00 0.00 C ATOM 697 CD GLU A 44 -5.824 -6.419 -14.214 1.00 0.00 C ATOM 698 OE1 GLU A 44 -6.765 -6.765 -14.959 1.00 0.00 O ATOM 699 OE2 GLU A 44 -5.527 -5.226 -13.994 1.00 0.00 O ATOM 0 H GLU A 44 -8.146 -7.433 -11.973 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.707 -9.451 -13.551 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.009 -7.218 -11.676 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.931 -8.599 -11.707 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.022 -7.100 -13.282 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.833 -8.316 -14.248 1.00 0.00 H new ATOM 706 N THR A 45 -5.845 -10.778 -11.320 1.00 0.00 N ATOM 707 CA THR A 45 -5.799 -11.846 -10.331 1.00 0.00 C ATOM 708 C THR A 45 -4.974 -11.412 -9.124 1.00 0.00 C ATOM 709 O THR A 45 -4.114 -10.543 -9.237 1.00 0.00 O ATOM 710 CB THR A 45 -5.201 -13.116 -10.950 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.982 -12.944 -12.339 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.075 -14.339 -10.774 1.00 0.00 C ATOM 0 H THR A 45 -4.973 -10.639 -11.831 1.00 0.00 H new ATOM 0 HA THR A 45 -6.816 -12.061 -10.002 1.00 0.00 H new ATOM 0 HB THR A 45 -4.263 -13.279 -10.418 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.599 -13.764 -12.714 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.592 -15.201 -11.235 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.222 -14.531 -9.711 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.041 -14.167 -11.249 1.00 0.00 H new ATOM 720 N PRO A 46 -5.213 -12.012 -7.949 1.00 0.00 N ATOM 721 CA PRO A 46 -4.479 -11.680 -6.727 1.00 0.00 C ATOM 722 C PRO A 46 -2.972 -11.562 -6.960 1.00 0.00 C ATOM 723 O PRO A 46 -2.273 -10.888 -6.205 1.00 0.00 O ATOM 724 CB PRO A 46 -4.791 -12.857 -5.783 1.00 0.00 C ATOM 725 CG PRO A 46 -5.561 -13.846 -6.600 1.00 0.00 C ATOM 726 CD PRO A 46 -6.205 -13.060 -7.701 1.00 0.00 C ATOM 0 HA PRO A 46 -4.778 -10.710 -6.329 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.874 -13.301 -5.396 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.372 -12.524 -4.923 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.903 -14.615 -7.003 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.311 -14.354 -5.993 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.384 -13.670 -8.587 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.167 -12.647 -7.398 1.00 0.00 H new ATOM 734 N GLU A 47 -2.476 -12.232 -7.998 1.00 0.00 N ATOM 735 CA GLU A 47 -1.051 -12.207 -8.313 1.00 0.00 C ATOM 736 C GLU A 47 -0.708 -11.147 -9.363 1.00 0.00 C ATOM 737 O GLU A 47 0.226 -10.366 -9.178 1.00 0.00 O ATOM 738 CB GLU A 47 -0.599 -13.585 -8.800 1.00 0.00 C ATOM 739 CG GLU A 47 0.124 -14.398 -7.739 1.00 0.00 C ATOM 740 CD GLU A 47 1.628 -14.204 -7.779 1.00 0.00 C ATOM 741 OE1 GLU A 47 2.084 -13.059 -7.582 1.00 0.00 O ATOM 742 OE2 GLU A 47 2.348 -15.199 -8.008 1.00 0.00 O ATOM 0 H GLU A 47 -3.039 -12.797 -8.633 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.521 -11.945 -7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.470 -14.144 -9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.058 -13.459 -9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.249 -14.116 -6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.106 -15.454 -7.877 1.00 0.00 H new ATOM 749 N GLN A 48 -1.448 -11.132 -10.471 1.00 0.00 N ATOM 750 CA GLN A 48 -1.190 -10.175 -11.545 1.00 0.00 C ATOM 751 C GLN A 48 -1.782 -8.803 -11.234 1.00 0.00 C ATOM 752 O GLN A 48 -1.323 -7.788 -11.755 1.00 0.00 O ATOM 753 CB GLN A 48 -1.756 -10.700 -12.867 1.00 0.00 C ATOM 754 CG GLN A 48 -0.700 -11.291 -13.787 1.00 0.00 C ATOM 755 CD GLN A 48 -1.277 -11.760 -15.109 1.00 0.00 C ATOM 756 OE1 GLN A 48 -2.476 -12.015 -15.221 1.00 0.00 O ATOM 757 NE2 GLN A 48 -0.423 -11.878 -16.118 1.00 0.00 N ATOM 0 H GLN A 48 -2.226 -11.767 -10.648 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.109 -10.061 -11.632 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.508 -11.460 -12.655 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.263 -9.886 -13.385 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.072 -10.545 -13.976 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.216 -12.130 -13.287 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.563 -11.656 -15.980 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.753 -12.191 -17.031 1.00 0.00 H new ATOM 766 N ALA A 49 -2.800 -8.778 -10.384 1.00 0.00 N ATOM 767 CA ALA A 49 -3.451 -7.529 -10.010 1.00 0.00 C ATOM 768 C ALA A 49 -2.443 -6.533 -9.458 1.00 0.00 C ATOM 769 O ALA A 49 -2.429 -5.368 -9.856 1.00 0.00 O ATOM 770 CB ALA A 49 -4.551 -7.793 -8.992 1.00 0.00 C ATOM 0 H ALA A 49 -3.193 -9.608 -9.940 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.897 -7.095 -10.905 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.029 -6.852 -8.721 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.292 -8.466 -9.423 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.120 -8.251 -8.101 1.00 0.00 H new ATOM 776 N VAL A 50 -1.597 -6.996 -8.546 1.00 0.00 N ATOM 777 CA VAL A 50 -0.583 -6.138 -7.949 1.00 0.00 C ATOM 778 C VAL A 50 0.595 -5.949 -8.899 1.00 0.00 C ATOM 779 O VAL A 50 1.057 -4.832 -9.117 1.00 0.00 O ATOM 780 CB VAL A 50 -0.074 -6.696 -6.593 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.195 -7.402 -5.845 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.113 -7.635 -6.785 1.00 0.00 C ATOM 0 H VAL A 50 -1.593 -7.957 -8.205 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.055 -5.174 -7.763 1.00 0.00 H new ATOM 0 HB VAL A 50 0.263 -5.849 -5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.815 -7.785 -4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.005 -6.698 -5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.569 -8.230 -6.447 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.443 -8.007 -5.815 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.815 -8.474 -7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.930 -7.095 -7.264 1.00 0.00 H new ATOM 792 N VAL A 51 1.079 -7.057 -9.453 1.00 0.00 N ATOM 793 CA VAL A 51 2.209 -7.027 -10.371 1.00 0.00 C ATOM 794 C VAL A 51 1.930 -6.112 -11.553 1.00 0.00 C ATOM 795 O VAL A 51 2.826 -5.427 -12.045 1.00 0.00 O ATOM 796 CB VAL A 51 2.545 -8.442 -10.886 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.783 -8.417 -11.770 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.736 -9.403 -9.721 1.00 0.00 C ATOM 0 H VAL A 51 0.703 -7.989 -9.280 1.00 0.00 H new ATOM 0 HA VAL A 51 3.064 -6.640 -9.817 1.00 0.00 H new ATOM 0 HB VAL A 51 1.707 -8.793 -11.488 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.000 -9.426 -12.121 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.606 -7.765 -12.626 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.631 -8.042 -11.198 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.972 -10.396 -10.103 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.554 -9.053 -9.091 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.819 -9.449 -9.133 1.00 0.00 H new ATOM 808 N ARG A 52 0.683 -6.104 -12.006 1.00 0.00 N ATOM 809 CA ARG A 52 0.296 -5.268 -13.130 1.00 0.00 C ATOM 810 C ARG A 52 0.111 -3.818 -12.697 1.00 0.00 C ATOM 811 O ARG A 52 0.659 -2.903 -13.310 1.00 0.00 O ATOM 812 CB ARG A 52 -0.988 -5.792 -13.775 1.00 0.00 C ATOM 813 CG ARG A 52 -0.787 -7.061 -14.589 1.00 0.00 C ATOM 814 CD ARG A 52 -1.750 -7.128 -15.763 1.00 0.00 C ATOM 815 NE ARG A 52 -2.228 -8.488 -16.002 1.00 0.00 N ATOM 816 CZ ARG A 52 -3.315 -8.777 -16.713 1.00 0.00 C ATOM 817 NH1 ARG A 52 -4.041 -7.806 -17.255 1.00 0.00 N ATOM 818 NH2 ARG A 52 -3.680 -10.041 -16.881 1.00 0.00 N ATOM 0 H ARG A 52 -0.073 -6.665 -11.613 1.00 0.00 H new ATOM 0 HA ARG A 52 1.100 -5.306 -13.865 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.724 -5.984 -12.995 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.402 -5.018 -14.421 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.239 -7.101 -14.956 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.931 -7.932 -13.949 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.600 -6.473 -15.572 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.255 -6.755 -16.660 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.697 -9.261 -15.600 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.766 -6.832 -17.127 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.873 -8.034 -17.799 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.128 -10.791 -16.465 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.513 -10.263 -17.426 1.00 0.00 H new ATOM 832 N GLU A 53 -0.668 -3.616 -11.640 1.00 0.00 N ATOM 833 CA GLU A 53 -0.925 -2.275 -11.131 1.00 0.00 C ATOM 834 C GLU A 53 0.343 -1.654 -10.554 1.00 0.00 C ATOM 835 O GLU A 53 0.468 -0.432 -10.492 1.00 0.00 O ATOM 836 CB GLU A 53 -2.020 -2.306 -10.063 1.00 0.00 C ATOM 837 CG GLU A 53 -3.422 -2.093 -10.613 1.00 0.00 C ATOM 838 CD GLU A 53 -3.533 -0.861 -11.489 1.00 0.00 C ATOM 839 OE1 GLU A 53 -3.226 -0.959 -12.695 1.00 0.00 O ATOM 840 OE2 GLU A 53 -3.932 0.202 -10.968 1.00 0.00 O ATOM 0 H GLU A 53 -1.131 -4.362 -11.121 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.261 -1.662 -11.967 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.984 -3.266 -9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.811 -1.537 -9.320 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.717 -2.970 -11.189 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.123 -2.006 -9.783 1.00 0.00 H new ATOM 847 N LEU A 54 1.284 -2.497 -10.133 1.00 0.00 N ATOM 848 CA LEU A 54 2.537 -2.010 -9.568 1.00 0.00 C ATOM 849 C LEU A 54 3.180 -1.000 -10.505 1.00 0.00 C ATOM 850 O LEU A 54 3.635 0.058 -10.076 1.00 0.00 O ATOM 851 CB LEU A 54 3.500 -3.167 -9.306 1.00 0.00 C ATOM 852 CG LEU A 54 3.968 -3.293 -7.856 1.00 0.00 C ATOM 853 CD1 LEU A 54 2.775 -3.380 -6.913 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.872 -4.503 -7.700 1.00 0.00 C ATOM 0 H LEU A 54 1.202 -3.513 -10.173 1.00 0.00 H new ATOM 0 HA LEU A 54 2.316 -1.523 -8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.016 -4.098 -9.599 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.374 -3.047 -9.946 1.00 0.00 H new ATOM 0 HG LEU A 54 4.539 -2.402 -7.594 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.129 -3.469 -5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.168 -2.480 -7.011 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.174 -4.253 -7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.199 -4.582 -6.663 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.325 -5.404 -7.978 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.742 -4.393 -8.347 1.00 0.00 H new ATOM 866 N GLN A 55 3.187 -1.323 -11.790 1.00 0.00 N ATOM 867 CA GLN A 55 3.746 -0.428 -12.790 1.00 0.00 C ATOM 868 C GLN A 55 2.958 0.877 -12.791 1.00 0.00 C ATOM 869 O GLN A 55 3.509 1.955 -13.014 1.00 0.00 O ATOM 870 CB GLN A 55 3.702 -1.079 -14.175 1.00 0.00 C ATOM 871 CG GLN A 55 5.077 -1.345 -14.765 1.00 0.00 C ATOM 872 CD GLN A 55 5.530 -2.779 -14.567 1.00 0.00 C ATOM 873 OE1 GLN A 55 6.464 -3.049 -13.812 1.00 0.00 O ATOM 874 NE2 GLN A 55 4.866 -3.708 -15.245 1.00 0.00 N ATOM 0 H GLN A 55 2.813 -2.196 -12.163 1.00 0.00 H new ATOM 0 HA GLN A 55 4.788 -0.221 -12.546 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.156 -2.020 -14.108 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.143 -0.434 -14.853 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.061 -1.117 -15.831 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.802 -0.672 -14.306 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.098 -3.439 -15.860 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.124 -4.690 -15.151 1.00 0.00 H new ATOM 883 N GLU A 56 1.660 0.758 -12.525 1.00 0.00 N ATOM 884 CA GLU A 56 0.771 1.908 -12.475 1.00 0.00 C ATOM 885 C GLU A 56 0.932 2.673 -11.170 1.00 0.00 C ATOM 886 O GLU A 56 0.647 3.866 -11.108 1.00 0.00 O ATOM 887 CB GLU A 56 -0.682 1.460 -12.611 1.00 0.00 C ATOM 888 CG GLU A 56 -1.597 2.521 -13.202 1.00 0.00 C ATOM 889 CD GLU A 56 -2.821 2.783 -12.343 1.00 0.00 C ATOM 890 OE1 GLU A 56 -2.667 2.904 -11.108 1.00 0.00 O ATOM 891 OE2 GLU A 56 -3.933 2.868 -12.905 1.00 0.00 O ATOM 0 H GLU A 56 1.200 -0.133 -12.340 1.00 0.00 H new ATOM 0 HA GLU A 56 1.036 2.564 -13.304 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.721 0.569 -13.238 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.058 1.175 -11.629 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.039 3.449 -13.325 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.916 2.207 -14.196 1.00 0.00 H new ATOM 898 N GLU A 57 1.364 1.980 -10.119 1.00 0.00 N ATOM 899 CA GLU A 57 1.524 2.618 -8.820 1.00 0.00 C ATOM 900 C GLU A 57 2.996 2.806 -8.447 1.00 0.00 C ATOM 901 O GLU A 57 3.312 3.270 -7.351 1.00 0.00 O ATOM 902 CB GLU A 57 0.801 1.811 -7.746 1.00 0.00 C ATOM 903 CG GLU A 57 -0.712 1.830 -7.907 1.00 0.00 C ATOM 904 CD GLU A 57 -1.313 0.441 -8.006 1.00 0.00 C ATOM 905 OE1 GLU A 57 -0.583 -0.543 -7.766 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.517 0.339 -8.324 1.00 0.00 O ATOM 0 H GLU A 57 1.606 0.989 -10.142 1.00 0.00 H new ATOM 0 HA GLU A 57 1.079 3.611 -8.885 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.151 0.779 -7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.062 2.207 -6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.156 2.353 -7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.970 2.397 -8.802 1.00 0.00 H new ATOM 913 N VAL A 58 3.889 2.474 -9.373 1.00 0.00 N ATOM 914 CA VAL A 58 5.318 2.640 -9.155 1.00 0.00 C ATOM 915 C VAL A 58 5.953 3.272 -10.379 1.00 0.00 C ATOM 916 O VAL A 58 6.769 4.187 -10.273 1.00 0.00 O ATOM 917 CB VAL A 58 6.029 1.304 -8.862 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.460 1.553 -8.414 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.277 0.508 -7.812 1.00 0.00 C ATOM 0 H VAL A 58 3.645 2.087 -10.285 1.00 0.00 H new ATOM 0 HA VAL A 58 5.434 3.282 -8.282 1.00 0.00 H new ATOM 0 HB VAL A 58 6.047 0.720 -9.782 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.949 0.600 -8.211 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.001 2.078 -9.201 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.457 2.160 -7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.799 -0.430 -7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.222 1.085 -6.889 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.269 0.297 -8.169 1.00 0.00 H new ATOM 929 N GLY A 59 5.556 2.778 -11.549 1.00 0.00 N ATOM 930 CA GLY A 59 6.072 3.294 -12.798 1.00 0.00 C ATOM 931 C GLY A 59 7.518 2.933 -13.039 1.00 0.00 C ATOM 932 O GLY A 59 7.900 2.542 -14.142 1.00 0.00 O ATOM 0 H GLY A 59 4.879 2.022 -11.650 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.467 2.911 -13.620 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.969 4.379 -12.805 1.00 0.00 H new ATOM 936 N ILE A 60 8.315 3.068 -12.004 1.00 0.00 N ATOM 937 CA ILE A 60 9.731 2.765 -12.070 1.00 0.00 C ATOM 938 C ILE A 60 9.975 1.264 -12.016 1.00 0.00 C ATOM 939 O ILE A 60 9.037 0.469 -11.969 1.00 0.00 O ATOM 940 CB ILE A 60 10.525 3.424 -10.919 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.667 3.645 -9.673 1.00 0.00 C ATOM 942 CG2 ILE A 60 11.150 4.731 -11.376 1.00 0.00 C ATOM 943 CD1 ILE A 60 10.428 3.414 -8.384 1.00 0.00 C ATOM 0 H ILE A 60 8.001 3.392 -11.089 1.00 0.00 H new ATOM 0 HA ILE A 60 10.080 3.169 -13.020 1.00 0.00 H new ATOM 0 HB ILE A 60 11.320 2.731 -10.643 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.278 4.663 -9.682 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.808 2.975 -9.707 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.704 5.178 -10.550 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.829 4.539 -12.207 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.366 5.416 -11.699 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.766 3.586 -7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.794 2.388 -8.357 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.272 4.102 -8.331 1.00 0.00 H new ATOM 955 N THR A 61 11.249 0.894 -12.016 1.00 0.00 N ATOM 956 CA THR A 61 11.659 -0.487 -11.955 1.00 0.00 C ATOM 957 C THR A 61 12.321 -0.758 -10.612 1.00 0.00 C ATOM 958 O THR A 61 13.527 -0.561 -10.460 1.00 0.00 O ATOM 959 CB THR A 61 12.648 -0.736 -13.076 1.00 0.00 C ATOM 960 OG1 THR A 61 13.446 0.414 -13.297 1.00 0.00 O ATOM 961 CG2 THR A 61 11.985 -1.086 -14.388 1.00 0.00 C ATOM 0 H THR A 61 12.025 1.554 -12.059 1.00 0.00 H new ATOM 0 HA THR A 61 10.798 -1.147 -12.063 1.00 0.00 H new ATOM 0 HB THR A 61 13.250 -1.585 -12.752 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.918 0.649 -12.471 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.748 -1.252 -15.148 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.392 -1.992 -14.266 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.336 -0.267 -14.698 1.00 0.00 H new ATOM 969 N PRO A 62 11.539 -1.146 -9.596 1.00 0.00 N ATOM 970 CA PRO A 62 12.042 -1.363 -8.256 1.00 0.00 C ATOM 971 C PRO A 62 12.101 -2.813 -7.815 1.00 0.00 C ATOM 972 O PRO A 62 11.333 -3.653 -8.285 1.00 0.00 O ATOM 973 CB PRO A 62 10.945 -0.664 -7.474 1.00 0.00 C ATOM 974 CG PRO A 62 9.694 -1.104 -8.169 1.00 0.00 C ATOM 975 CD PRO A 62 10.079 -1.330 -9.618 1.00 0.00 C ATOM 0 HA PRO A 62 13.069 -1.019 -8.137 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.948 -0.960 -6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.060 0.420 -7.500 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.300 -2.017 -7.723 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.914 -0.347 -8.086 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.801 -2.327 -9.960 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.591 -0.617 -10.283 1.00 0.00 H new ATOM 983 N GLN A 63 12.964 -3.078 -6.841 1.00 0.00 N ATOM 984 CA GLN A 63 13.055 -4.401 -6.263 1.00 0.00 C ATOM 985 C GLN A 63 11.879 -4.527 -5.315 1.00 0.00 C ATOM 986 O GLN A 63 11.999 -4.311 -4.110 1.00 0.00 O ATOM 987 CB GLN A 63 14.367 -4.560 -5.506 1.00 0.00 C ATOM 988 CG GLN A 63 15.577 -4.678 -6.415 1.00 0.00 C ATOM 989 CD GLN A 63 16.883 -4.743 -5.646 1.00 0.00 C ATOM 990 OE1 GLN A 63 16.921 -5.202 -4.504 1.00 0.00 O ATOM 991 NE2 GLN A 63 17.960 -4.281 -6.269 1.00 0.00 N ATOM 0 H GLN A 63 13.605 -2.393 -6.441 1.00 0.00 H new ATOM 0 HA GLN A 63 13.031 -5.174 -7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.502 -3.705 -4.843 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.308 -5.446 -4.874 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.478 -5.572 -7.031 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.601 -3.825 -7.093 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.882 -3.910 -7.216 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.866 -4.297 -5.801 1.00 0.00 H new ATOM 1000 N HIS A 64 10.731 -4.812 -5.895 1.00 0.00 N ATOM 1001 CA HIS A 64 9.490 -4.896 -5.150 1.00 0.00 C ATOM 1002 C HIS A 64 8.794 -6.218 -5.416 1.00 0.00 C ATOM 1003 O HIS A 64 8.531 -6.573 -6.565 1.00 0.00 O ATOM 1004 CB HIS A 64 8.626 -3.706 -5.580 1.00 0.00 C ATOM 1005 CG HIS A 64 7.164 -3.773 -5.225 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.407 -4.752 -4.664 1.00 0.00 N flip ATOM 1007 CD2 HIS A 64 6.301 -2.721 -5.460 1.00 0.00 C flip ATOM 1008 CE1 HIS A 64 5.124 -4.273 -4.572 1.00 0.00 C flip ATOM 1009 NE2 HIS A 64 5.086 -3.048 -5.058 1.00 0.00 N flip ATOM 0 H HIS A 64 10.631 -4.992 -6.894 1.00 0.00 H new ATOM 0 HA HIS A 64 9.674 -4.856 -4.076 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.044 -2.803 -5.135 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.710 -3.597 -6.661 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.577 -1.776 -5.904 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.281 -4.813 -4.167 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.259 -2.454 -5.114 1.00 0.00 H new ATOM 1018 N PHE A 65 8.510 -6.956 -4.347 1.00 0.00 N ATOM 1019 CA PHE A 65 7.863 -8.248 -4.482 1.00 0.00 C ATOM 1020 C PHE A 65 7.617 -8.900 -3.124 1.00 0.00 C ATOM 1021 O PHE A 65 8.227 -8.522 -2.128 1.00 0.00 O ATOM 1022 CB PHE A 65 8.756 -9.148 -5.311 1.00 0.00 C ATOM 1023 CG PHE A 65 8.009 -10.166 -6.124 1.00 0.00 C ATOM 1024 CD1 PHE A 65 7.015 -9.769 -7.005 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.300 -11.516 -6.012 1.00 0.00 C ATOM 1026 CE1 PHE A 65 6.325 -10.700 -7.758 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.614 -12.452 -6.765 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.624 -12.042 -7.638 1.00 0.00 C ATOM 0 H PHE A 65 8.717 -6.681 -3.387 1.00 0.00 H new ATOM 0 HA PHE A 65 6.896 -8.103 -4.964 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.355 -8.531 -5.981 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.450 -9.665 -4.648 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.777 -8.720 -7.104 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.071 -11.841 -5.329 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.552 -10.378 -8.440 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.852 -13.501 -6.671 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.085 -12.771 -8.225 1.00 0.00 H new ATOM 1038 N SER A 66 6.729 -9.894 -3.104 1.00 0.00 N ATOM 1039 CA SER A 66 6.396 -10.627 -1.881 1.00 0.00 C ATOM 1040 C SER A 66 5.339 -9.886 -1.073 1.00 0.00 C ATOM 1041 O SER A 66 5.187 -8.671 -1.195 1.00 0.00 O ATOM 1042 CB SER A 66 7.642 -10.864 -1.021 1.00 0.00 C ATOM 1043 OG SER A 66 7.548 -12.087 -0.311 1.00 0.00 O ATOM 0 H SER A 66 6.222 -10.213 -3.930 1.00 0.00 H new ATOM 0 HA SER A 66 5.993 -11.595 -2.179 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.528 -10.876 -1.655 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.764 -10.040 -0.318 1.00 0.00 H new ATOM 0 HG SER A 66 8.356 -12.215 0.228 1.00 0.00 H new ATOM 1049 N LEU A 67 4.604 -10.628 -0.250 1.00 0.00 N ATOM 1050 CA LEU A 67 3.556 -10.039 0.573 1.00 0.00 C ATOM 1051 C LEU A 67 3.901 -10.126 2.056 1.00 0.00 C ATOM 1052 O LEU A 67 4.184 -11.206 2.577 1.00 0.00 O ATOM 1053 CB LEU A 67 2.215 -10.729 0.302 1.00 0.00 C ATOM 1054 CG LEU A 67 2.075 -12.137 0.887 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.426 -12.082 2.262 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.269 -13.024 -0.050 1.00 0.00 C ATOM 0 H LEU A 67 4.715 -11.636 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 67 3.475 -8.985 0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.416 -10.105 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.065 -10.785 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 67 3.071 -12.566 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.335 -13.092 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.042 -11.481 2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.436 -11.634 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.179 -14.021 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.275 -12.598 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.774 -13.089 -1.014 1.00 0.00 H new ATOM 1068 N PHE A 68 3.866 -8.982 2.731 1.00 0.00 N ATOM 1069 CA PHE A 68 4.165 -8.927 4.156 1.00 0.00 C ATOM 1070 C PHE A 68 2.965 -9.411 4.967 1.00 0.00 C ATOM 1071 O PHE A 68 3.117 -10.069 5.997 1.00 0.00 O ATOM 1072 CB PHE A 68 4.565 -7.498 4.558 1.00 0.00 C ATOM 1073 CG PHE A 68 3.645 -6.848 5.559 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.448 -6.281 5.151 1.00 0.00 C ATOM 1075 CD2 PHE A 68 3.980 -6.805 6.902 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.603 -5.681 6.066 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.138 -6.208 7.820 1.00 0.00 C ATOM 1078 CZ PHE A 68 1.948 -5.644 7.403 1.00 0.00 C ATOM 0 H PHE A 68 3.633 -8.081 2.314 1.00 0.00 H new ATOM 0 HA PHE A 68 5.005 -9.588 4.369 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.573 -7.520 4.971 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.601 -6.879 3.662 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.172 -6.308 4.107 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.909 -7.243 7.235 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.674 -5.241 5.736 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.410 -6.182 8.865 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.290 -5.176 8.120 1.00 0.00 H new ATOM 1088 N GLU A 69 1.770 -9.075 4.489 1.00 0.00 N ATOM 1089 CA GLU A 69 0.533 -9.467 5.153 1.00 0.00 C ATOM 1090 C GLU A 69 -0.671 -9.139 4.275 1.00 0.00 C ATOM 1091 O GLU A 69 -0.570 -8.343 3.343 1.00 0.00 O ATOM 1092 CB GLU A 69 0.408 -8.760 6.506 1.00 0.00 C ATOM 1093 CG GLU A 69 0.403 -9.713 7.690 1.00 0.00 C ATOM 1094 CD GLU A 69 -0.614 -9.324 8.746 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -0.824 -8.111 8.951 1.00 0.00 O ATOM 1096 OE2 GLU A 69 -1.202 -10.235 9.367 1.00 0.00 O ATOM 0 H GLU A 69 1.633 -8.529 3.639 1.00 0.00 H new ATOM 0 HA GLU A 69 0.558 -10.544 5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.235 -8.058 6.618 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.511 -8.174 6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.189 -10.722 7.339 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.396 -9.736 8.138 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.808 -9.757 4.570 1.00 0.00 N ATOM 1104 CA LYS A 70 -3.022 -9.523 3.796 1.00 0.00 C ATOM 1105 C LYS A 70 -4.256 -9.526 4.693 1.00 0.00 C ATOM 1106 O LYS A 70 -4.437 -10.423 5.515 1.00 0.00 O ATOM 1107 CB LYS A 70 -3.168 -10.586 2.707 1.00 0.00 C ATOM 1108 CG LYS A 70 -3.099 -12.010 3.234 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.992 -12.945 2.434 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.541 -13.041 0.986 1.00 0.00 C ATOM 1111 NZ LYS A 70 -4.297 -14.082 0.236 1.00 0.00 N ATOM 0 H LYS A 70 -1.915 -10.422 5.336 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.939 -8.541 3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.120 -10.442 2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.383 -10.444 1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.069 -12.365 3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.400 -12.026 4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.981 -13.937 2.886 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.021 -12.589 2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.674 -12.075 0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.476 -13.271 0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.642 -13.683 -0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.672 -14.889 0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.106 -14.402 0.806 1.00 0.00 H new ATOM 1125 N LEU A 71 -5.106 -8.516 4.524 1.00 0.00 N ATOM 1126 CA LEU A 71 -6.326 -8.402 5.315 1.00 0.00 C ATOM 1127 C LEU A 71 -7.557 -8.440 4.414 1.00 0.00 C ATOM 1128 O LEU A 71 -7.705 -7.616 3.512 1.00 0.00 O ATOM 1129 CB LEU A 71 -6.310 -7.106 6.132 1.00 0.00 C ATOM 1130 CG LEU A 71 -7.627 -6.755 6.826 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -7.865 -7.671 8.016 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.625 -5.298 7.263 1.00 0.00 C ATOM 0 H LEU A 71 -4.971 -7.766 3.846 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.372 -9.249 5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.529 -7.182 6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.035 -6.283 5.472 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.441 -6.900 6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.807 -7.406 8.497 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.910 -8.705 7.676 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.049 -7.559 8.730 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.569 -5.064 7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.802 -5.127 7.957 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.502 -4.657 6.390 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.437 -9.404 4.667 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.654 -9.553 3.882 1.00 0.00 C ATOM 1146 C GLU A 72 -10.889 -9.444 4.775 1.00 0.00 C ATOM 1147 O GLU A 72 -11.166 -10.333 5.581 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.639 -10.900 3.150 1.00 0.00 C ATOM 1149 CG GLU A 72 -11.008 -11.367 2.685 1.00 0.00 C ATOM 1150 CD GLU A 72 -10.929 -12.366 1.546 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -9.966 -13.159 1.519 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.833 -12.354 0.684 1.00 0.00 O ATOM 0 H GLU A 72 -8.328 -10.094 5.411 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.697 -8.750 3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.979 -10.825 2.285 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.214 -11.656 3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.538 -11.819 3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.593 -10.504 2.366 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.627 -8.350 4.622 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.834 -8.123 5.409 1.00 0.00 C ATOM 1161 C TYR A 73 -13.923 -7.489 4.552 1.00 0.00 C ATOM 1162 O TYR A 73 -13.633 -6.767 3.599 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.526 -7.227 6.610 1.00 0.00 C ATOM 1164 CG TYR A 73 -12.026 -5.851 6.228 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.819 -5.691 5.560 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.761 -4.714 6.537 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.359 -4.436 5.210 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.308 -3.455 6.189 1.00 0.00 C ATOM 1169 CZ TYR A 73 -11.106 -3.322 5.526 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.652 -2.070 5.180 1.00 0.00 O ATOM 0 H TYR A 73 -11.410 -7.605 3.959 1.00 0.00 H new ATOM 0 HA TYR A 73 -13.192 -9.087 5.770 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.427 -7.122 7.215 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.778 -7.716 7.235 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.231 -6.561 5.310 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.702 -4.815 7.058 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.418 -4.329 4.691 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.892 -2.581 6.435 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.298 -1.395 5.475 1.00 0.00 H new ATOM 1180 N GLU A 74 -15.179 -7.759 4.893 1.00 0.00 N ATOM 1181 CA GLU A 74 -16.302 -7.208 4.144 1.00 0.00 C ATOM 1182 C GLU A 74 -17.209 -6.371 5.039 1.00 0.00 C ATOM 1183 O GLU A 74 -17.742 -6.857 6.036 1.00 0.00 O ATOM 1184 CB GLU A 74 -17.114 -8.322 3.478 1.00 0.00 C ATOM 1185 CG GLU A 74 -17.366 -9.520 4.378 1.00 0.00 C ATOM 1186 CD GLU A 74 -17.613 -10.795 3.595 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -18.632 -10.863 2.878 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -16.786 -11.726 3.699 1.00 0.00 O ATOM 0 H GLU A 74 -15.444 -8.353 5.679 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.889 -6.561 3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.072 -7.916 3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.589 -8.656 2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.509 -9.662 5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.227 -9.317 5.015 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.382 -5.112 4.661 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.229 -4.190 5.402 1.00 0.00 C ATOM 1197 C PHE A 75 -19.700 -4.577 5.251 1.00 0.00 C ATOM 1198 O PHE A 75 -20.054 -5.339 4.355 1.00 0.00 O ATOM 1199 CB PHE A 75 -18.002 -2.759 4.909 1.00 0.00 C ATOM 1200 CG PHE A 75 -17.273 -1.891 5.894 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -16.038 -2.274 6.391 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -17.822 -0.693 6.323 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -15.363 -1.477 7.297 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -17.153 0.107 7.229 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.922 -0.286 7.716 1.00 0.00 C ATOM 0 H PHE A 75 -16.942 -4.703 3.837 1.00 0.00 H new ATOM 0 HA PHE A 75 -17.966 -4.245 6.458 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.437 -2.790 3.977 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.966 -2.305 4.682 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -15.598 -3.205 6.067 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -18.784 -0.381 5.945 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -14.400 -1.786 7.676 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -17.592 1.038 7.556 1.00 0.00 H new ATOM 0 HZ PHE A 75 -15.397 0.338 8.424 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.574 -4.058 6.132 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.011 -4.346 6.097 1.00 0.00 C ATOM 1217 C PRO A 76 -22.612 -4.105 4.717 1.00 0.00 C ATOM 1218 O PRO A 76 -23.185 -3.048 4.452 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.612 -3.372 7.123 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.522 -2.403 7.439 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.237 -3.143 7.221 1.00 0.00 C ATOM 0 HA PRO A 76 -22.217 -5.392 6.323 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.485 -2.862 6.715 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -22.940 -3.899 8.019 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.581 -1.525 6.795 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -21.600 -2.050 8.467 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.424 -2.471 6.948 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -19.921 -3.678 8.116 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.462 -5.103 3.847 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.969 -5.053 2.469 1.00 0.00 C ATOM 1231 C ASP A 77 -21.879 -4.609 1.495 1.00 0.00 C ATOM 1232 O ASP A 77 -22.167 -4.219 0.364 1.00 0.00 O ATOM 1233 CB ASP A 77 -24.185 -4.127 2.348 1.00 0.00 C ATOM 1234 CG ASP A 77 -25.066 -4.479 1.166 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -24.575 -5.163 0.243 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -26.246 -4.070 1.161 1.00 0.00 O ATOM 0 H ASP A 77 -21.984 -5.974 4.076 1.00 0.00 H new ATOM 0 HA ASP A 77 -23.281 -6.064 2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.773 -4.182 3.264 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.845 -3.096 2.249 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.627 -4.676 1.940 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.493 -4.289 1.110 1.00 0.00 C ATOM 1243 C ARG A 78 -18.351 -5.290 1.260 1.00 0.00 C ATOM 1244 O ARG A 78 -18.143 -5.846 2.337 1.00 0.00 O ATOM 1245 CB ARG A 78 -19.014 -2.886 1.488 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.863 -2.380 0.631 1.00 0.00 C ATOM 1247 CD ARG A 78 -16.691 -1.916 1.484 1.00 0.00 C ATOM 1248 NE ARG A 78 -15.937 -0.839 0.843 1.00 0.00 N ATOM 1249 CZ ARG A 78 -14.906 -0.216 1.411 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -14.504 -0.559 2.629 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.274 0.752 0.760 1.00 0.00 N ATOM 0 H ARG A 78 -20.373 -4.996 2.875 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.816 -4.284 0.069 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.850 -2.192 1.404 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.704 -2.887 2.533 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -17.533 -3.172 -0.041 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.208 -1.556 0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -17.060 -1.574 2.451 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -16.027 -2.759 1.676 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.217 -0.548 -0.094 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.985 -1.303 3.134 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.714 -0.079 3.059 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.578 1.020 -0.176 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.484 1.229 1.196 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.613 -5.515 0.179 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.491 -6.447 0.201 1.00 0.00 C ATOM 1267 C HIS A 79 -15.187 -5.722 -0.112 1.00 0.00 C ATOM 1268 O HIS A 79 -14.826 -5.546 -1.275 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.717 -7.577 -0.806 1.00 0.00 C ATOM 1270 CG HIS A 79 -16.364 -8.931 -0.275 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -15.204 -9.630 -0.329 1.00 0.00 N flip ATOM 1272 CD2 HIS A 79 -17.258 -9.730 0.408 1.00 0.00 C flip ATOM 1273 CE1 HIS A 79 -15.418 -10.823 0.314 1.00 0.00 C flip ATOM 1274 NE2 HIS A 79 -16.663 -10.859 0.751 1.00 0.00 N flip ATOM 0 H HIS A 79 -17.771 -5.066 -0.723 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.421 -6.875 1.201 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.763 -7.577 -1.111 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.124 -7.380 -1.699 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -14.334 -9.326 -0.766 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -18.284 -9.473 0.628 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -14.686 -11.606 0.442 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.485 -5.297 0.934 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.229 -4.588 0.772 1.00 0.00 C ATOM 1285 C ILE A 80 -12.039 -5.500 1.061 1.00 0.00 C ATOM 1286 O ILE A 80 -11.814 -5.904 2.202 1.00 0.00 O ATOM 1287 CB ILE A 80 -13.171 -3.350 1.696 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.758 -2.774 1.734 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.637 -3.709 3.100 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -11.715 -1.288 2.018 1.00 0.00 C ATOM 0 H ILE A 80 -14.769 -5.434 1.904 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.173 -4.259 -0.266 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.841 -2.591 1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.182 -3.298 2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.271 -2.967 0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.589 -2.825 3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.664 -4.073 3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.992 -4.486 3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.679 -0.950 2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -12.263 -0.753 1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.172 -1.089 2.987 1.00 0.00 H new ATOM 1302 N THR A 81 -11.275 -5.813 0.021 1.00 0.00 N ATOM 1303 CA THR A 81 -10.103 -6.667 0.161 1.00 0.00 C ATOM 1304 C THR A 81 -8.827 -5.837 0.068 1.00 0.00 C ATOM 1305 O THR A 81 -8.601 -5.143 -0.922 1.00 0.00 O ATOM 1306 CB THR A 81 -10.104 -7.757 -0.915 1.00 0.00 C ATOM 1307 OG1 THR A 81 -11.165 -7.557 -1.834 1.00 0.00 O ATOM 1308 CG2 THR A 81 -10.243 -9.154 -0.350 1.00 0.00 C ATOM 0 H THR A 81 -11.447 -5.487 -0.930 1.00 0.00 H new ATOM 0 HA THR A 81 -10.139 -7.144 1.140 1.00 0.00 H new ATOM 0 HB THR A 81 -9.135 -7.676 -1.408 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.458 -8.422 -2.188 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.237 -9.878 -1.165 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.411 -9.358 0.324 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.182 -9.233 0.198 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.999 -5.903 1.105 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.754 -5.145 1.130 1.00 0.00 C ATOM 1318 C LEU A 82 -5.550 -6.061 1.309 1.00 0.00 C ATOM 1319 O LEU A 82 -5.387 -6.693 2.352 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.786 -4.114 2.257 1.00 0.00 C ATOM 1321 CG LEU A 82 -7.711 -2.921 2.020 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -8.062 -2.252 3.339 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -7.059 -1.925 1.073 1.00 0.00 C ATOM 0 H LEU A 82 -8.166 -6.471 1.936 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.657 -4.635 0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.092 -4.613 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.774 -3.743 2.417 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.632 -3.281 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.721 -1.404 3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.566 -2.968 3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.150 -1.903 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.730 -1.081 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.124 -1.569 1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.854 -2.410 0.119 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.700 -6.119 0.288 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.504 -6.947 0.343 1.00 0.00 C ATOM 1337 C TRP A 83 -2.270 -6.084 0.554 1.00 0.00 C ATOM 1338 O TRP A 83 -1.986 -5.186 -0.234 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.353 -7.763 -0.943 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.435 -8.777 -1.123 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.750 -8.623 -0.808 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.298 -10.100 -1.653 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.446 -9.767 -1.112 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.576 -10.690 -1.631 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.222 -10.843 -2.146 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.806 -11.987 -2.083 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.451 -12.131 -2.593 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.734 -12.691 -2.560 1.00 0.00 C ATOM 0 H TRP A 83 -4.818 -5.603 -0.584 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.605 -7.633 1.184 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.351 -7.086 -1.798 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.387 -8.268 -0.935 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.183 -7.731 -0.381 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.447 -9.907 -0.974 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.229 -10.419 -2.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.794 -12.421 -2.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.626 -12.715 -2.974 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.880 -13.699 -2.918 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.541 -6.368 1.620 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.330 -5.615 1.932 1.00 0.00 C ATOM 1361 C PHE A 84 0.906 -6.374 1.455 1.00 0.00 C ATOM 1362 O PHE A 84 1.252 -7.421 1.998 1.00 0.00 O ATOM 1363 CB PHE A 84 -0.243 -5.329 3.437 1.00 0.00 C ATOM 1364 CG PHE A 84 -1.145 -4.213 3.899 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.414 -4.056 3.358 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.727 -3.317 4.876 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -3.244 -3.035 3.778 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.555 -2.294 5.299 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.814 -2.153 4.749 1.00 0.00 C ATOM 0 H PHE A 84 -1.762 -7.110 2.284 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.372 -4.661 1.407 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.495 -6.237 3.985 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.787 -5.079 3.691 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.757 -4.742 2.598 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.257 -3.421 5.310 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.228 -2.927 3.347 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.217 -1.605 6.059 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.461 -1.354 5.078 1.00 0.00 H new ATOM 1379 N TRP A 85 1.555 -5.846 0.420 1.00 0.00 N ATOM 1380 CA TRP A 85 2.740 -6.485 -0.147 1.00 0.00 C ATOM 1381 C TRP A 85 4.024 -5.913 0.446 1.00 0.00 C ATOM 1382 O TRP A 85 4.078 -4.744 0.828 1.00 0.00 O ATOM 1383 CB TRP A 85 2.736 -6.345 -1.669 1.00 0.00 C ATOM 1384 CG TRP A 85 1.687 -7.192 -2.322 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.338 -7.115 -2.127 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.896 -8.250 -3.264 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.305 -8.061 -2.888 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.630 -8.769 -3.597 1.00 0.00 C ATOM 1389 CE3 TRP A 85 3.029 -8.809 -3.860 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.468 -9.820 -4.498 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.868 -9.851 -4.754 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.595 -10.347 -5.065 1.00 0.00 C ATOM 0 H TRP A 85 1.281 -4.979 -0.042 1.00 0.00 H new ATOM 0 HA TRP A 85 2.707 -7.544 0.109 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.571 -5.301 -1.934 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.716 -6.622 -2.058 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -0.153 -6.412 -1.470 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.313 -8.212 -2.920 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.014 -8.433 -3.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.512 -10.204 -4.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.738 -10.290 -5.220 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.502 -11.162 -5.767 1.00 0.00 H new ATOM 1403 N LEU A 86 5.051 -6.757 0.542 1.00 0.00 N ATOM 1404 CA LEU A 86 6.330 -6.346 1.115 1.00 0.00 C ATOM 1405 C LEU A 86 7.367 -6.026 0.038 1.00 0.00 C ATOM 1406 O LEU A 86 7.951 -6.920 -0.565 1.00 0.00 O ATOM 1407 CB LEU A 86 6.863 -7.441 2.036 1.00 0.00 C ATOM 1408 CG LEU A 86 7.916 -6.983 3.047 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.202 -6.592 2.336 1.00 0.00 C ATOM 1410 CD2 LEU A 86 7.388 -5.821 3.876 1.00 0.00 C ATOM 0 H LEU A 86 5.021 -7.728 0.231 1.00 0.00 H new ATOM 0 HA LEU A 86 6.155 -5.434 1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.025 -7.877 2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.291 -8.234 1.422 1.00 0.00 H new ATOM 0 HG LEU A 86 8.134 -7.813 3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.940 -6.269 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.589 -7.450 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.000 -5.777 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.150 -5.508 4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.142 -4.987 3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.493 -6.135 4.414 1.00 0.00 H new ATOM 1422 N VAL A 87 7.597 -4.738 -0.173 1.00 0.00 N ATOM 1423 CA VAL A 87 8.572 -4.254 -1.152 1.00 0.00 C ATOM 1424 C VAL A 87 9.916 -4.055 -0.500 1.00 0.00 C ATOM 1425 O VAL A 87 9.985 -3.694 0.676 1.00 0.00 O ATOM 1426 CB VAL A 87 8.145 -2.922 -1.738 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.101 -2.465 -2.827 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.720 -3.016 -2.252 1.00 0.00 C ATOM 0 H VAL A 87 7.114 -3.993 0.329 1.00 0.00 H new ATOM 0 HA VAL A 87 8.633 -5.004 -1.941 1.00 0.00 H new ATOM 0 HB VAL A 87 8.178 -2.169 -0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.767 -1.507 -3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.102 -2.355 -2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.121 -3.205 -3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.420 -2.056 -2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.662 -3.783 -3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.053 -3.277 -1.430 1.00 0.00 H new ATOM 1438 N GLU A 88 10.990 -4.310 -1.232 1.00 0.00 N ATOM 1439 CA GLU A 88 12.304 -4.161 -0.630 1.00 0.00 C ATOM 1440 C GLU A 88 13.145 -2.999 -1.180 1.00 0.00 C ATOM 1441 O GLU A 88 13.982 -2.465 -0.451 1.00 0.00 O ATOM 1442 CB GLU A 88 13.098 -5.466 -0.746 1.00 0.00 C ATOM 1443 CG GLU A 88 12.236 -6.718 -0.731 1.00 0.00 C ATOM 1444 CD GLU A 88 11.673 -7.024 0.643 1.00 0.00 C ATOM 1445 OE1 GLU A 88 11.787 -6.160 1.539 1.00 0.00 O ATOM 1446 OE2 GLU A 88 11.119 -8.128 0.826 1.00 0.00 O ATOM 0 H GLU A 88 10.982 -4.610 -2.207 1.00 0.00 H new ATOM 0 HA GLU A 88 12.105 -3.917 0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.676 -5.447 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.812 -5.519 0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.414 -6.597 -1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.829 -7.566 -1.074 1.00 0.00 H new ATOM 1453 N ARG A 89 12.971 -2.612 -2.443 1.00 0.00 N ATOM 1454 CA ARG A 89 13.788 -1.528 -2.988 1.00 0.00 C ATOM 1455 C ARG A 89 13.189 -0.955 -4.267 1.00 0.00 C ATOM 1456 O ARG A 89 12.317 -1.565 -4.879 1.00 0.00 O ATOM 1457 CB ARG A 89 15.229 -2.035 -3.214 1.00 0.00 C ATOM 1458 CG ARG A 89 15.867 -1.647 -4.546 1.00 0.00 C ATOM 1459 CD ARG A 89 16.585 -0.309 -4.457 1.00 0.00 C ATOM 1460 NE ARG A 89 17.998 -0.422 -4.814 1.00 0.00 N ATOM 1461 CZ ARG A 89 18.432 -0.749 -6.028 1.00 0.00 C ATOM 1462 NH1 ARG A 89 17.568 -0.996 -7.006 1.00 0.00 N ATOM 1463 NH2 ARG A 89 19.734 -0.830 -6.267 1.00 0.00 N ATOM 0 H ARG A 89 12.295 -3.017 -3.090 1.00 0.00 H new ATOM 0 HA ARG A 89 13.810 -0.711 -2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.858 -1.658 -2.408 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.228 -3.122 -3.136 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.573 -2.420 -4.850 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.098 -1.597 -5.317 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.100 0.408 -5.119 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.497 0.083 -3.444 1.00 0.00 H new ATOM 0 HE ARG A 89 18.692 -0.239 -4.089 1.00 0.00 H new ATOM 0 HH11 ARG A 89 16.565 -0.935 -6.828 1.00 0.00 H new ATOM 0 HH12 ARG A 89 17.907 -1.246 -7.935 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.402 -0.642 -5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.067 -1.081 -7.198 1.00 0.00 H new ATOM 1477 N TRP A 90 13.682 0.214 -4.673 1.00 0.00 N ATOM 1478 CA TRP A 90 13.208 0.850 -5.893 1.00 0.00 C ATOM 1479 C TRP A 90 14.303 1.680 -6.558 1.00 0.00 C ATOM 1480 O TRP A 90 14.992 2.459 -5.900 1.00 0.00 O ATOM 1481 CB TRP A 90 11.969 1.705 -5.612 1.00 0.00 C ATOM 1482 CG TRP A 90 12.252 3.038 -4.996 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.867 4.102 -5.588 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.902 3.457 -3.677 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.917 5.160 -4.715 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.327 4.789 -3.536 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.265 2.834 -2.600 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.134 5.511 -2.366 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.073 3.553 -1.436 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.503 4.880 -1.328 1.00 0.00 C ATOM 0 H TRP A 90 14.405 0.734 -4.176 1.00 0.00 H new ATOM 0 HA TRP A 90 12.930 0.059 -6.590 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.432 1.860 -6.548 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.304 1.149 -4.951 1.00 0.00 H new ATOM 0 HD1 TRP A 90 13.257 4.111 -6.595 1.00 0.00 H new ATOM 0 HE1 TRP A 90 13.327 6.073 -4.912 1.00 0.00 H new ATOM 0 HE3 TRP A 90 10.929 1.810 -2.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.470 6.534 -2.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 10.583 3.083 -0.596 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.334 5.418 -0.407 1.00 0.00 H new ATOM 1501 N GLU A 91 14.461 1.502 -7.872 1.00 0.00 N ATOM 1502 CA GLU A 91 15.474 2.235 -8.623 1.00 0.00 C ATOM 1503 C GLU A 91 14.981 3.636 -8.970 1.00 0.00 C ATOM 1504 O GLU A 91 13.889 3.803 -9.515 1.00 0.00 O ATOM 1505 CB GLU A 91 15.838 1.478 -9.901 1.00 0.00 C ATOM 1506 CG GLU A 91 16.660 0.224 -9.653 1.00 0.00 C ATOM 1507 CD GLU A 91 17.391 -0.249 -10.893 1.00 0.00 C ATOM 1508 OE1 GLU A 91 17.773 0.606 -11.719 1.00 0.00 O ATOM 1509 OE2 GLU A 91 17.582 -1.475 -11.039 1.00 0.00 O ATOM 0 H GLU A 91 13.902 0.859 -8.433 1.00 0.00 H new ATOM 0 HA GLU A 91 16.363 2.325 -7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.922 1.204 -10.424 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.395 2.143 -10.561 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.384 0.419 -8.862 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.005 -0.571 -9.297 1.00 0.00 H new ATOM 1516 N GLY A 92 15.789 4.640 -8.648 1.00 0.00 N ATOM 1517 CA GLY A 92 15.413 6.012 -8.931 1.00 0.00 C ATOM 1518 C GLY A 92 14.398 6.549 -7.943 1.00 0.00 C ATOM 1519 O GLY A 92 14.685 6.670 -6.752 1.00 0.00 O ATOM 0 H GLY A 92 16.697 4.528 -8.196 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.303 6.641 -8.911 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.002 6.073 -9.939 1.00 0.00 H new ATOM 1523 N GLU A 93 13.207 6.870 -8.435 1.00 0.00 N ATOM 1524 CA GLU A 93 12.145 7.396 -7.584 1.00 0.00 C ATOM 1525 C GLU A 93 10.811 6.717 -7.893 1.00 0.00 C ATOM 1526 O GLU A 93 10.493 6.462 -9.054 1.00 0.00 O ATOM 1527 CB GLU A 93 12.016 8.908 -7.769 1.00 0.00 C ATOM 1528 CG GLU A 93 13.338 9.650 -7.654 1.00 0.00 C ATOM 1529 CD GLU A 93 13.197 11.136 -7.922 1.00 0.00 C ATOM 1530 OE1 GLU A 93 12.889 11.505 -9.074 1.00 0.00 O ATOM 1531 OE2 GLU A 93 13.395 11.931 -6.979 1.00 0.00 O ATOM 0 H GLU A 93 12.952 6.776 -9.418 1.00 0.00 H new ATOM 0 HA GLU A 93 12.407 7.185 -6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.579 9.110 -8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.323 9.299 -7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.748 9.502 -6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.052 9.224 -8.358 1.00 0.00 H new ATOM 1538 N PRO A 94 10.000 6.427 -6.857 1.00 0.00 N ATOM 1539 CA PRO A 94 8.692 5.794 -7.025 1.00 0.00 C ATOM 1540 C PRO A 94 7.662 6.788 -7.526 1.00 0.00 C ATOM 1541 O PRO A 94 7.514 7.869 -6.953 1.00 0.00 O ATOM 1542 CB PRO A 94 8.323 5.317 -5.609 1.00 0.00 C ATOM 1543 CG PRO A 94 9.509 5.619 -4.751 1.00 0.00 C ATOM 1544 CD PRO A 94 10.267 6.710 -5.445 1.00 0.00 C ATOM 0 HA PRO A 94 8.718 4.986 -7.756 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.435 5.832 -5.243 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.098 4.250 -5.603 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.198 5.935 -3.755 1.00 0.00 H new ATOM 0 HG3 PRO A 94 10.132 4.734 -4.624 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.913 7.699 -5.155 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.332 6.673 -5.217 1.00 0.00 H new ATOM 1552 N TRP A 95 6.948 6.442 -8.590 1.00 0.00 N ATOM 1553 CA TRP A 95 5.947 7.353 -9.116 1.00 0.00 C ATOM 1554 C TRP A 95 4.648 6.651 -9.490 1.00 0.00 C ATOM 1555 O TRP A 95 3.600 6.913 -8.901 1.00 0.00 O ATOM 1556 CB TRP A 95 6.486 8.130 -10.323 1.00 0.00 C ATOM 1557 CG TRP A 95 7.123 7.290 -11.401 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.431 6.904 -11.471 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.491 6.754 -12.575 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.655 6.180 -12.621 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.481 6.077 -13.314 1.00 0.00 C ATOM 1562 CE3 TRP A 95 5.184 6.783 -13.073 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 7.206 5.445 -14.526 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.912 6.151 -14.272 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.920 5.494 -14.989 1.00 0.00 C ATOM 0 H TRP A 95 7.041 5.560 -9.093 1.00 0.00 H new ATOM 0 HA TRP A 95 5.721 8.052 -8.310 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.666 8.697 -10.764 1.00 0.00 H new ATOM 0 HB3 TRP A 95 7.220 8.854 -9.969 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.183 7.134 -10.730 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.550 5.785 -12.909 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.401 7.291 -12.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.981 4.935 -15.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.905 6.164 -14.662 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.677 5.016 -15.927 1.00 0.00 H new ATOM 1576 N GLY A 96 4.717 5.777 -10.480 1.00 0.00 N ATOM 1577 CA GLY A 96 3.529 5.070 -10.926 1.00 0.00 C ATOM 1578 C GLY A 96 2.354 5.999 -11.173 1.00 0.00 C ATOM 1579 O GLY A 96 2.275 6.647 -12.217 1.00 0.00 O ATOM 0 H GLY A 96 5.572 5.542 -10.985 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.757 4.527 -11.843 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.250 4.328 -10.178 1.00 0.00 H new ATOM 1583 N LYS A 97 1.436 6.059 -10.209 1.00 0.00 N ATOM 1584 CA LYS A 97 0.254 6.911 -10.325 1.00 0.00 C ATOM 1585 C LYS A 97 -0.685 6.714 -9.135 1.00 0.00 C ATOM 1586 O LYS A 97 -1.905 6.655 -9.299 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.493 6.616 -11.631 1.00 0.00 C ATOM 1588 CG LYS A 97 -0.873 7.865 -12.408 1.00 0.00 C ATOM 1589 CD LYS A 97 -2.218 7.704 -13.100 1.00 0.00 C ATOM 1590 CE LYS A 97 -2.335 8.617 -14.310 1.00 0.00 C ATOM 1591 NZ LYS A 97 -2.580 10.031 -13.917 1.00 0.00 N ATOM 0 H LYS A 97 1.488 5.528 -9.340 1.00 0.00 H new ATOM 0 HA LYS A 97 0.590 7.948 -10.332 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.130 5.981 -12.261 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.397 6.050 -11.404 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.911 8.718 -11.731 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.104 8.081 -13.150 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.346 6.667 -13.411 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.020 7.927 -12.396 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.420 8.557 -14.899 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.148 8.271 -14.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.654 10.621 -14.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.466 10.092 -13.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.792 10.370 -13.329 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.114 6.624 -7.937 1.00 0.00 N ATOM 1606 CA GLU A 98 -0.903 6.444 -6.724 1.00 0.00 C ATOM 1607 C GLU A 98 -1.879 7.605 -6.547 1.00 0.00 C ATOM 1608 O GLU A 98 -3.081 7.396 -6.382 1.00 0.00 O ATOM 1609 CB GLU A 98 0.018 6.335 -5.508 1.00 0.00 C ATOM 1610 CG GLU A 98 1.136 7.366 -5.494 1.00 0.00 C ATOM 1611 CD GLU A 98 2.457 6.790 -5.023 1.00 0.00 C ATOM 1612 OE1 GLU A 98 2.434 5.797 -4.265 1.00 0.00 O ATOM 1613 OE2 GLU A 98 3.512 7.331 -5.411 1.00 0.00 O ATOM 0 H GLU A 98 0.893 6.673 -7.781 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.476 5.521 -6.814 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.577 6.445 -4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.456 5.337 -5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.260 7.775 -6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.853 8.194 -4.844 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.357 8.828 -6.600 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.207 9.999 -6.462 1.00 0.00 C ATOM 1622 C GLY A 99 -1.786 10.931 -5.338 1.00 0.00 C ATOM 1623 O GLY A 99 -2.296 12.048 -5.237 1.00 0.00 O ATOM 0 H GLY A 99 -0.366 9.029 -6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.203 10.552 -7.401 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.233 9.674 -6.287 1.00 0.00 H new ATOM 1627 N GLN A 100 -0.868 10.485 -4.485 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.414 11.311 -3.369 1.00 0.00 C ATOM 1629 C GLN A 100 1.088 11.187 -3.141 1.00 0.00 C ATOM 1630 O GLN A 100 1.555 10.249 -2.500 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.170 10.934 -2.092 1.00 0.00 C ATOM 1632 CG GLN A 100 -1.989 12.076 -1.509 1.00 0.00 C ATOM 1633 CD GLN A 100 -1.184 13.351 -1.348 1.00 0.00 C ATOM 1634 OE1 GLN A 100 0.062 13.213 -0.909 1.00 0.00 O flip ATOM 1635 NE2 GLN A 100 -1.675 14.448 -1.613 1.00 0.00 N flip ATOM 0 H GLN A 100 -0.428 9.567 -4.543 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.624 12.350 -3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.833 10.095 -2.306 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.455 10.592 -1.344 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.845 12.271 -2.155 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.384 11.776 -0.539 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.637 14.509 -1.948 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.120 15.296 -1.498 1.00 0.00 H new ATOM 1644 N PRO A 101 1.865 12.157 -3.650 1.00 0.00 N ATOM 1645 CA PRO A 101 3.320 12.175 -3.485 1.00 0.00 C ATOM 1646 C PRO A 101 3.745 11.834 -2.058 1.00 0.00 C ATOM 1647 O PRO A 101 3.109 12.263 -1.094 1.00 0.00 O ATOM 1648 CB PRO A 101 3.661 13.627 -3.808 1.00 0.00 C ATOM 1649 CG PRO A 101 2.653 14.020 -4.825 1.00 0.00 C ATOM 1650 CD PRO A 101 1.383 13.327 -4.417 1.00 0.00 C ATOM 0 HA PRO A 101 3.825 11.440 -4.111 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.599 14.258 -2.921 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.675 13.721 -4.195 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.520 15.102 -4.849 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.963 13.715 -5.824 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.750 13.973 -3.809 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.793 13.025 -5.283 1.00 0.00 H new ATOM 1658 N GLY A 102 4.818 11.059 -1.926 1.00 0.00 N ATOM 1659 CA GLY A 102 5.295 10.678 -0.607 1.00 0.00 C ATOM 1660 C GLY A 102 6.799 10.829 -0.456 1.00 0.00 C ATOM 1661 O GLY A 102 7.493 11.188 -1.407 1.00 0.00 O ATOM 0 H GLY A 102 5.364 10.689 -2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.796 11.290 0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.017 9.642 -0.411 1.00 0.00 H new ATOM 1665 N GLU A 103 7.300 10.551 0.746 1.00 0.00 N ATOM 1666 CA GLU A 103 8.731 10.653 1.026 1.00 0.00 C ATOM 1667 C GLU A 103 9.241 9.377 1.693 1.00 0.00 C ATOM 1668 O GLU A 103 8.469 8.630 2.292 1.00 0.00 O ATOM 1669 CB GLU A 103 9.012 11.859 1.924 1.00 0.00 C ATOM 1670 CG GLU A 103 8.197 11.865 3.207 1.00 0.00 C ATOM 1671 CD GLU A 103 7.964 13.265 3.742 1.00 0.00 C ATOM 1672 OE1 GLU A 103 7.476 14.120 2.974 1.00 0.00 O ATOM 1673 OE2 GLU A 103 8.268 13.505 4.930 1.00 0.00 O ATOM 0 H GLU A 103 6.736 10.253 1.542 1.00 0.00 H new ATOM 0 HA GLU A 103 9.256 10.786 0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.072 11.874 2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.804 12.773 1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.236 11.385 3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.712 11.272 3.963 1.00 0.00 H new ATOM 1680 N TRP A 104 10.546 9.128 1.584 1.00 0.00 N ATOM 1681 CA TRP A 104 11.141 7.934 2.183 1.00 0.00 C ATOM 1682 C TRP A 104 11.251 8.103 3.696 1.00 0.00 C ATOM 1683 O TRP A 104 12.096 8.850 4.188 1.00 0.00 O ATOM 1684 CB TRP A 104 12.530 7.653 1.576 1.00 0.00 C ATOM 1685 CG TRP A 104 12.695 8.190 0.185 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.738 8.247 -0.787 1.00 0.00 C ATOM 1687 CD2 TRP A 104 13.883 8.750 -0.385 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.260 8.809 -1.928 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.575 9.125 -1.706 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.177 8.971 0.093 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.513 9.707 -2.554 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.109 9.549 -0.749 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.773 9.912 -2.059 1.00 0.00 C ATOM 0 H TRP A 104 11.205 9.731 1.092 1.00 0.00 H new ATOM 0 HA TRP A 104 10.494 7.083 1.968 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.294 8.090 2.219 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.702 6.577 1.564 1.00 0.00 H new ATOM 0 HD1 TRP A 104 10.721 7.902 -0.676 1.00 0.00 H new ATOM 0 HE1 TRP A 104 11.751 8.965 -2.798 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.445 8.695 1.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.256 9.987 -3.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.113 9.723 -0.390 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.523 10.363 -2.692 1.00 0.00 H new ATOM 1704 N MET A 105 10.386 7.403 4.426 1.00 0.00 N ATOM 1705 CA MET A 105 10.377 7.471 5.884 1.00 0.00 C ATOM 1706 C MET A 105 10.626 6.099 6.498 1.00 0.00 C ATOM 1707 O MET A 105 10.259 5.075 5.921 1.00 0.00 O ATOM 1708 CB MET A 105 9.045 8.034 6.383 1.00 0.00 C ATOM 1709 CG MET A 105 7.832 7.461 5.668 1.00 0.00 C ATOM 1710 SD MET A 105 6.306 8.320 6.093 1.00 0.00 S ATOM 1711 CE MET A 105 5.955 9.169 4.555 1.00 0.00 C ATOM 0 H MET A 105 9.681 6.781 4.030 1.00 0.00 H new ATOM 0 HA MET A 105 11.183 8.136 6.194 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.954 7.835 7.451 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.050 9.117 6.260 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.989 7.519 4.591 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.732 6.405 5.919 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.877 9.272 4.434 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.414 10.157 4.572 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.360 8.595 3.722 1.00 0.00 H new ATOM 1721 N SER A 106 11.241 6.083 7.676 1.00 0.00 N ATOM 1722 CA SER A 106 11.527 4.831 8.367 1.00 0.00 C ATOM 1723 C SER A 106 10.233 4.151 8.805 1.00 0.00 C ATOM 1724 O SER A 106 9.498 4.676 9.641 1.00 0.00 O ATOM 1725 CB SER A 106 12.425 5.085 9.582 1.00 0.00 C ATOM 1726 OG SER A 106 12.532 6.471 9.859 1.00 0.00 O ATOM 0 H SER A 106 11.550 6.920 8.171 1.00 0.00 H new ATOM 0 HA SER A 106 12.050 4.171 7.675 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.020 4.568 10.452 1.00 0.00 H new ATOM 0 HB3 SER A 106 13.416 4.671 9.398 1.00 0.00 H new ATOM 0 HG SER A 106 13.282 6.849 9.354 1.00 0.00 H new ATOM 1732 N LEU A 107 9.959 2.984 8.232 1.00 0.00 N ATOM 1733 CA LEU A 107 8.749 2.237 8.563 1.00 0.00 C ATOM 1734 C LEU A 107 8.817 1.669 9.979 1.00 0.00 C ATOM 1735 O LEU A 107 7.793 1.320 10.565 1.00 0.00 O ATOM 1736 CB LEU A 107 8.532 1.105 7.557 1.00 0.00 C ATOM 1737 CG LEU A 107 7.081 0.637 7.398 1.00 0.00 C ATOM 1738 CD1 LEU A 107 6.651 -0.189 8.600 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.151 1.826 7.207 1.00 0.00 C ATOM 0 H LEU A 107 10.556 2.535 7.538 1.00 0.00 H new ATOM 0 HA LEU A 107 7.907 2.928 8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.900 1.431 6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.140 0.252 7.858 1.00 0.00 H new ATOM 0 HG LEU A 107 7.020 0.009 6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.618 -0.512 8.469 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.296 -1.063 8.690 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.730 0.415 9.504 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.126 1.472 7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.216 2.482 8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.443 2.377 6.313 1.00 0.00 H new ATOM 1751 N VAL A 108 10.026 1.581 10.525 1.00 0.00 N ATOM 1752 CA VAL A 108 10.218 1.058 11.872 1.00 0.00 C ATOM 1753 C VAL A 108 9.390 1.833 12.898 1.00 0.00 C ATOM 1754 O VAL A 108 9.163 1.356 14.010 1.00 0.00 O ATOM 1755 CB VAL A 108 11.703 1.103 12.284 1.00 0.00 C ATOM 1756 CG1 VAL A 108 12.209 2.537 12.320 1.00 0.00 C ATOM 1757 CG2 VAL A 108 11.908 0.424 13.630 1.00 0.00 C ATOM 0 H VAL A 108 10.886 1.865 10.056 1.00 0.00 H new ATOM 0 HA VAL A 108 9.882 0.021 11.856 1.00 0.00 H new ATOM 0 HB VAL A 108 12.281 0.559 11.537 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.259 2.545 12.613 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.105 2.985 11.332 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.627 3.110 13.041 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.963 0.467 13.902 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.316 0.935 14.389 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.592 -0.617 13.564 1.00 0.00 H new ATOM 1767 N GLY A 109 8.943 3.030 12.522 1.00 0.00 N ATOM 1768 CA GLY A 109 8.151 3.841 13.427 1.00 0.00 C ATOM 1769 C GLY A 109 6.857 4.323 12.798 1.00 0.00 C ATOM 1770 O GLY A 109 6.497 5.493 12.929 1.00 0.00 O ATOM 0 H GLY A 109 9.116 3.450 11.609 1.00 0.00 H new ATOM 0 HA2 GLY A 109 7.922 3.262 14.322 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.738 4.702 13.746 1.00 0.00 H new ATOM 1774 N LEU A 110 6.155 3.420 12.122 1.00 0.00 N ATOM 1775 CA LEU A 110 4.890 3.763 11.479 1.00 0.00 C ATOM 1776 C LEU A 110 3.867 4.195 12.523 1.00 0.00 C ATOM 1777 O LEU A 110 3.924 3.759 13.672 1.00 0.00 O ATOM 1778 CB LEU A 110 4.352 2.573 10.682 1.00 0.00 C ATOM 1779 CG LEU A 110 3.110 2.873 9.843 1.00 0.00 C ATOM 1780 CD1 LEU A 110 3.145 2.091 8.539 1.00 0.00 C ATOM 1781 CD2 LEU A 110 1.848 2.553 10.629 1.00 0.00 C ATOM 0 H LEU A 110 6.439 2.447 12.005 1.00 0.00 H new ATOM 0 HA LEU A 110 5.067 4.591 10.793 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.140 2.209 10.022 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.119 1.765 11.375 1.00 0.00 H new ATOM 0 HG LEU A 110 3.103 3.936 9.602 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.253 2.317 7.955 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.032 2.371 7.970 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.175 1.023 8.756 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.973 2.772 10.017 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.846 1.497 10.900 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.819 3.160 11.534 1.00 0.00 H new ATOM 1793 N ASN A 111 2.944 5.071 12.130 1.00 0.00 N ATOM 1794 CA ASN A 111 1.938 5.565 13.058 1.00 0.00 C ATOM 1795 C ASN A 111 0.521 5.227 12.618 1.00 0.00 C ATOM 1796 O ASN A 111 0.109 5.531 11.499 1.00 0.00 O ATOM 1797 CB ASN A 111 2.083 7.077 13.228 1.00 0.00 C ATOM 1798 CG ASN A 111 2.502 7.466 14.633 1.00 0.00 C ATOM 1799 OD1 ASN A 111 3.042 6.650 15.380 1.00 0.00 O ATOM 1800 ND2 ASN A 111 2.254 8.717 15.000 1.00 0.00 N ATOM 0 H ASN A 111 2.875 5.448 11.185 1.00 0.00 H new ATOM 0 HA ASN A 111 2.107 5.065 14.012 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.819 7.450 12.516 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.135 7.559 12.988 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.513 9.035 15.934 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.804 9.360 14.348 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.226 4.616 13.534 1.00 0.00 N ATOM 1808 CA ALA A 112 -1.610 4.254 13.279 1.00 0.00 C ATOM 1809 C ALA A 112 -2.496 5.502 13.262 1.00 0.00 C ATOM 1810 O ALA A 112 -3.642 5.458 12.814 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.107 3.261 14.322 1.00 0.00 C ATOM 0 H ALA A 112 0.110 4.362 14.463 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.665 3.778 12.300 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.145 3.003 14.113 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.495 2.360 14.287 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.037 3.709 15.313 1.00 0.00 H new ATOM 1817 N ASP A 113 -1.962 6.614 13.769 1.00 0.00 N ATOM 1818 CA ASP A 113 -2.706 7.868 13.822 1.00 0.00 C ATOM 1819 C ASP A 113 -2.741 8.554 12.456 1.00 0.00 C ATOM 1820 O ASP A 113 -3.804 8.964 11.989 1.00 0.00 O ATOM 1821 CB ASP A 113 -2.084 8.807 14.858 1.00 0.00 C ATOM 1822 CG ASP A 113 -3.127 9.618 15.602 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -3.797 9.052 16.490 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -3.273 10.820 15.296 1.00 0.00 O ATOM 0 H ASP A 113 -1.017 6.669 14.148 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.731 7.635 14.112 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.504 8.223 15.573 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.389 9.483 14.361 1.00 0.00 H new ATOM 1829 N ASP A 114 -1.579 8.680 11.817 1.00 0.00 N ATOM 1830 CA ASP A 114 -1.500 9.324 10.507 1.00 0.00 C ATOM 1831 C ASP A 114 -2.222 8.494 9.455 1.00 0.00 C ATOM 1832 O ASP A 114 -2.834 9.035 8.536 1.00 0.00 O ATOM 1833 CB ASP A 114 -0.045 9.556 10.067 1.00 0.00 C ATOM 1834 CG ASP A 114 0.987 9.027 11.048 1.00 0.00 C ATOM 1835 OD1 ASP A 114 1.107 9.602 12.150 1.00 0.00 O ATOM 1836 OD2 ASP A 114 1.675 8.042 10.710 1.00 0.00 O ATOM 0 H ASP A 114 -0.686 8.348 12.181 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.986 10.295 10.601 1.00 0.00 H new ATOM 0 HB2 ASP A 114 0.112 9.081 9.099 1.00 0.00 H new ATOM 0 HB3 ASP A 114 0.116 10.625 9.927 1.00 0.00 H new ATOM 1841 N PHE A 115 -2.148 7.177 9.597 1.00 0.00 N ATOM 1842 CA PHE A 115 -2.797 6.269 8.661 1.00 0.00 C ATOM 1843 C PHE A 115 -4.259 6.048 9.063 1.00 0.00 C ATOM 1844 O PHE A 115 -4.666 6.420 10.164 1.00 0.00 O ATOM 1845 CB PHE A 115 -2.021 4.941 8.606 1.00 0.00 C ATOM 1846 CG PHE A 115 -2.734 3.778 9.231 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.122 3.834 10.549 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.011 2.635 8.502 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -3.775 2.778 11.144 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.665 1.571 9.087 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.047 1.644 10.413 1.00 0.00 C ATOM 0 H PHE A 115 -1.644 6.713 10.353 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.792 6.709 7.664 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -1.807 4.703 7.564 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -1.062 5.074 9.106 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.911 4.721 11.127 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.712 2.576 7.466 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.073 2.839 12.180 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.878 0.683 8.510 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.558 0.812 10.875 1.00 0.00 H new ATOM 1861 N PRO A 116 -5.069 5.436 8.181 1.00 0.00 N ATOM 1862 CA PRO A 116 -6.485 5.172 8.469 1.00 0.00 C ATOM 1863 C PRO A 116 -6.658 4.136 9.581 1.00 0.00 C ATOM 1864 O PRO A 116 -6.085 3.051 9.516 1.00 0.00 O ATOM 1865 CB PRO A 116 -7.024 4.627 7.143 1.00 0.00 C ATOM 1866 CG PRO A 116 -5.828 4.078 6.442 1.00 0.00 C ATOM 1867 CD PRO A 116 -4.675 4.953 6.846 1.00 0.00 C ATOM 0 HA PRO A 116 -7.006 6.063 8.819 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -7.775 3.854 7.309 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.500 5.413 6.557 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.650 3.041 6.727 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -5.968 4.092 5.361 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.739 4.395 6.880 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -4.530 5.776 6.147 1.00 0.00 H new ATOM 1875 N PRO A 117 -7.450 4.456 10.621 1.00 0.00 N ATOM 1876 CA PRO A 117 -7.683 3.541 11.749 1.00 0.00 C ATOM 1877 C PRO A 117 -8.425 2.271 11.340 1.00 0.00 C ATOM 1878 O PRO A 117 -8.398 1.270 12.056 1.00 0.00 O ATOM 1879 CB PRO A 117 -8.536 4.369 12.716 1.00 0.00 C ATOM 1880 CG PRO A 117 -9.170 5.417 11.869 1.00 0.00 C ATOM 1881 CD PRO A 117 -8.175 5.729 10.788 1.00 0.00 C ATOM 0 HA PRO A 117 -6.744 3.190 12.178 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -9.287 3.751 13.208 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -7.924 4.813 13.501 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -10.109 5.061 11.445 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.402 6.306 12.455 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.666 6.037 9.865 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.506 6.539 11.078 1.00 0.00 H new ATOM 1889 N ALA A 118 -9.091 2.318 10.192 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.843 1.171 9.695 1.00 0.00 C ATOM 1891 C ALA A 118 -8.927 0.064 9.186 1.00 0.00 C ATOM 1892 O ALA A 118 -9.383 -1.036 8.874 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.805 1.606 8.600 1.00 0.00 C ATOM 0 H ALA A 118 -9.126 3.139 9.587 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.411 0.765 10.532 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -11.360 0.740 8.238 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.502 2.343 9.000 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -10.243 2.047 7.777 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.639 0.362 9.085 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.670 -0.605 8.592 1.00 0.00 C ATOM 1901 C ASN A 119 -5.648 -0.972 9.669 1.00 0.00 C ATOM 1902 O ASN A 119 -4.501 -1.294 9.363 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.969 -0.014 7.373 1.00 0.00 C ATOM 1904 CG ASN A 119 -6.591 -0.470 6.069 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -5.912 -1.013 5.198 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.893 -0.245 5.926 1.00 0.00 N ATOM 0 H ASN A 119 -7.241 1.267 9.338 1.00 0.00 H new ATOM 0 HA ASN A 119 -7.191 -1.522 8.317 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.006 1.074 7.429 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.917 -0.299 7.389 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.368 -0.526 5.068 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -8.417 0.208 6.674 1.00 0.00 H new ATOM 1913 N GLU A 120 -6.069 -0.908 10.931 1.00 0.00 N ATOM 1914 CA GLU A 120 -5.196 -1.217 12.053 1.00 0.00 C ATOM 1915 C GLU A 120 -4.886 -2.716 12.173 1.00 0.00 C ATOM 1916 O GLU A 120 -3.804 -3.083 12.622 1.00 0.00 O ATOM 1917 CB GLU A 120 -5.819 -0.676 13.346 1.00 0.00 C ATOM 1918 CG GLU A 120 -6.436 -1.736 14.251 1.00 0.00 C ATOM 1919 CD GLU A 120 -7.011 -1.149 15.526 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -6.577 -0.047 15.920 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -7.897 -1.791 16.129 1.00 0.00 O ATOM 0 H GLU A 120 -7.017 -0.643 11.199 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.239 -0.728 11.875 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -5.052 -0.142 13.906 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.588 0.051 13.086 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.224 -2.259 13.708 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.678 -2.477 14.506 1.00 0.00 H new ATOM 1928 N PRO A 121 -5.816 -3.610 11.788 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.586 -5.058 11.882 1.00 0.00 C ATOM 1930 C PRO A 121 -4.303 -5.494 11.180 1.00 0.00 C ATOM 1931 O PRO A 121 -3.594 -6.381 11.655 1.00 0.00 O ATOM 1932 CB PRO A 121 -6.810 -5.662 11.191 1.00 0.00 C ATOM 1933 CG PRO A 121 -7.866 -4.617 11.306 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.150 -3.297 11.245 1.00 0.00 C ATOM 0 HA PRO A 121 -5.463 -5.381 12.916 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -6.599 -5.898 10.148 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -7.118 -6.590 11.672 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.592 -4.705 10.498 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.416 -4.720 12.241 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -7.090 -2.918 10.225 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.657 -2.536 11.838 1.00 0.00 H new ATOM 1942 N VAL A 122 -4.009 -4.861 10.051 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.812 -5.174 9.285 1.00 0.00 C ATOM 1944 C VAL A 122 -1.585 -4.551 9.935 1.00 0.00 C ATOM 1945 O VAL A 122 -0.566 -5.213 10.131 1.00 0.00 O ATOM 1946 CB VAL A 122 -2.921 -4.671 7.833 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -1.744 -5.164 7.006 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.239 -5.110 7.210 1.00 0.00 C ATOM 0 H VAL A 122 -4.587 -4.125 9.645 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.713 -6.259 9.272 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.897 -3.581 7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.839 -4.798 5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.815 -4.794 7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.733 -6.254 7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.296 -4.745 6.185 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.297 -6.198 7.211 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.068 -4.702 7.788 1.00 0.00 H new ATOM 1958 N ILE A 123 -1.696 -3.270 10.267 1.00 0.00 N ATOM 1959 CA ILE A 123 -0.602 -2.549 10.899 1.00 0.00 C ATOM 1960 C ILE A 123 -0.343 -3.077 12.302 1.00 0.00 C ATOM 1961 O ILE A 123 0.782 -3.045 12.781 1.00 0.00 O ATOM 1962 CB ILE A 123 -0.892 -1.039 10.973 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -1.065 -0.466 9.565 1.00 0.00 C ATOM 1964 CG2 ILE A 123 0.225 -0.316 11.715 1.00 0.00 C ATOM 1965 CD1 ILE A 123 0.227 0.004 8.935 1.00 0.00 C ATOM 0 H ILE A 123 -2.534 -2.711 10.108 1.00 0.00 H new ATOM 0 HA ILE A 123 0.283 -2.708 10.283 1.00 0.00 H new ATOM 0 HB ILE A 123 -1.820 -0.888 11.525 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.515 -1.226 8.926 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.764 0.370 9.606 1.00 0.00 H new ATOM 0 HG21 ILE A 123 0.003 0.750 11.757 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.304 -0.711 12.728 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.169 -0.469 11.191 1.00 0.00 H new ATOM 0 HD11 ILE A 123 0.024 0.397 7.939 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.668 0.787 9.551 1.00 0.00 H new ATOM 0 HD13 ILE A 123 0.921 -0.833 8.860 1.00 0.00 H new ATOM 1977 N ALA A 124 -1.388 -3.566 12.955 1.00 0.00 N ATOM 1978 CA ALA A 124 -1.253 -4.103 14.302 1.00 0.00 C ATOM 1979 C ALA A 124 -0.179 -5.181 14.336 1.00 0.00 C ATOM 1980 O ALA A 124 0.465 -5.403 15.362 1.00 0.00 O ATOM 1981 CB ALA A 124 -2.583 -4.658 14.789 1.00 0.00 C ATOM 0 H ALA A 124 -2.334 -3.602 12.576 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.953 -3.295 14.970 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -2.464 -5.055 15.797 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -3.328 -3.862 14.798 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.911 -5.455 14.121 1.00 0.00 H new ATOM 1987 N LYS A 125 0.009 -5.847 13.201 1.00 0.00 N ATOM 1988 CA LYS A 125 1.010 -6.903 13.092 1.00 0.00 C ATOM 1989 C LYS A 125 2.419 -6.324 12.931 1.00 0.00 C ATOM 1990 O LYS A 125 3.350 -6.741 13.619 1.00 0.00 O ATOM 1991 CB LYS A 125 0.687 -7.818 11.909 1.00 0.00 C ATOM 1992 CG LYS A 125 -0.216 -8.985 12.273 1.00 0.00 C ATOM 1993 CD LYS A 125 -1.513 -8.510 12.907 1.00 0.00 C ATOM 1994 CE LYS A 125 -2.566 -9.606 12.912 1.00 0.00 C ATOM 1995 NZ LYS A 125 -3.538 -9.448 11.794 1.00 0.00 N ATOM 0 H LYS A 125 -0.518 -5.675 12.345 1.00 0.00 H new ATOM 0 HA LYS A 125 0.984 -7.482 14.015 1.00 0.00 H new ATOM 0 HB2 LYS A 125 0.209 -7.230 11.125 1.00 0.00 H new ATOM 0 HB3 LYS A 125 1.618 -8.205 11.495 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.439 -9.567 11.378 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.306 -9.648 12.963 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.321 -8.184 13.929 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.890 -7.645 12.362 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.079 -10.578 12.835 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -3.100 -9.592 13.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -4.436 -9.906 12.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -3.703 -8.436 11.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.154 -9.891 10.935 1.00 0.00 H new ATOM 2009 N LEU A 126 2.568 -5.368 12.016 1.00 0.00 N ATOM 2010 CA LEU A 126 3.865 -4.742 11.761 1.00 0.00 C ATOM 2011 C LEU A 126 4.206 -3.707 12.829 1.00 0.00 C ATOM 2012 O LEU A 126 5.376 -3.479 13.136 1.00 0.00 O ATOM 2013 CB LEU A 126 3.869 -4.077 10.383 1.00 0.00 C ATOM 2014 CG LEU A 126 5.207 -4.130 9.639 1.00 0.00 C ATOM 2015 CD1 LEU A 126 5.723 -5.561 9.553 1.00 0.00 C ATOM 2016 CD2 LEU A 126 5.065 -3.525 8.250 1.00 0.00 C ATOM 0 H LEU A 126 1.807 -5.010 11.439 1.00 0.00 H new ATOM 0 HA LEU A 126 4.621 -5.526 11.791 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.108 -4.554 9.765 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.577 -3.033 10.500 1.00 0.00 H new ATOM 0 HG LEU A 126 5.935 -3.543 10.199 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.674 -5.573 9.021 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.865 -5.958 10.558 1.00 0.00 H new ATOM 0 HD13 LEU A 126 5.000 -6.177 9.018 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.024 -3.570 7.734 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.321 -4.085 7.683 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.748 -2.486 8.336 1.00 0.00 H new ATOM 2028 N LYS A 127 3.178 -3.080 13.387 1.00 0.00 N ATOM 2029 CA LYS A 127 3.359 -2.062 14.416 1.00 0.00 C ATOM 2030 C LYS A 127 4.186 -2.598 15.571 1.00 0.00 C ATOM 2031 O LYS A 127 5.081 -1.922 16.078 1.00 0.00 O ATOM 2032 CB LYS A 127 2.005 -1.605 14.932 1.00 0.00 C ATOM 2033 CG LYS A 127 2.072 -0.365 15.806 1.00 0.00 C ATOM 2034 CD LYS A 127 0.760 0.403 15.787 1.00 0.00 C ATOM 2035 CE LYS A 127 -0.241 -0.181 16.771 1.00 0.00 C ATOM 2036 NZ LYS A 127 -0.276 0.582 18.048 1.00 0.00 N ATOM 0 H LYS A 127 2.204 -3.260 13.143 1.00 0.00 H new ATOM 0 HA LYS A 127 3.888 -1.219 13.972 1.00 0.00 H new ATOM 0 HB2 LYS A 127 1.351 -1.406 14.083 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.550 -2.416 15.501 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.311 -0.653 16.830 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.878 0.282 15.460 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.946 1.449 16.032 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.339 0.381 14.782 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -1.234 -0.181 16.321 1.00 0.00 H new ATOM 0 HE3 LYS A 127 0.016 -1.220 16.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -0.971 0.151 18.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 0.665 0.561 18.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.546 1.568 17.856 1.00 0.00 H new ATOM 2050 N ARG A 128 3.892 -3.829 15.968 1.00 0.00 N ATOM 2051 CA ARG A 128 4.621 -4.470 17.048 1.00 0.00 C ATOM 2052 C ARG A 128 6.018 -4.863 16.574 1.00 0.00 C ATOM 2053 O ARG A 128 6.846 -5.325 17.359 1.00 0.00 O ATOM 2054 CB ARG A 128 3.860 -5.701 17.543 1.00 0.00 C ATOM 2055 CG ARG A 128 4.612 -6.506 18.591 1.00 0.00 C ATOM 2056 CD ARG A 128 3.739 -7.600 19.187 1.00 0.00 C ATOM 2057 NE ARG A 128 4.023 -8.907 18.601 1.00 0.00 N ATOM 2058 CZ ARG A 128 3.634 -10.060 19.139 1.00 0.00 C ATOM 2059 NH1 ARG A 128 2.945 -10.073 20.274 1.00 0.00 N ATOM 2060 NH2 ARG A 128 3.935 -11.206 18.542 1.00 0.00 N ATOM 0 H ARG A 128 3.154 -4.401 15.557 1.00 0.00 H new ATOM 0 HA ARG A 128 4.717 -3.767 17.875 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.904 -5.383 17.959 1.00 0.00 H new ATOM 0 HB3 ARG A 128 3.638 -6.346 16.693 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.499 -6.952 18.141 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.956 -5.842 19.384 1.00 0.00 H new ATOM 0 HD2 ARG A 128 3.898 -7.644 20.264 1.00 0.00 H new ATOM 0 HD3 ARG A 128 2.689 -7.352 19.029 1.00 0.00 H new ATOM 0 HE ARG A 128 4.550 -8.938 17.728 1.00 0.00 H new ATOM 0 HH11 ARG A 128 2.711 -9.196 20.739 1.00 0.00 H new ATOM 0 HH12 ARG A 128 2.650 -10.960 20.681 1.00 0.00 H new ATOM 0 HH21 ARG A 128 4.465 -11.203 17.670 1.00 0.00 H new ATOM 0 HH22 ARG A 128 3.637 -12.090 18.955 1.00 0.00 H new ATOM 2074 N LEU A 129 6.273 -4.671 15.278 1.00 0.00 N ATOM 2075 CA LEU A 129 7.566 -4.997 14.688 1.00 0.00 C ATOM 2076 C LEU A 129 8.043 -6.381 15.127 1.00 0.00 C ATOM 2077 O LEU A 129 8.403 -7.216 14.298 1.00 0.00 O ATOM 2078 CB LEU A 129 8.601 -3.940 15.076 1.00 0.00 C ATOM 2079 CG LEU A 129 8.111 -2.492 14.991 1.00 0.00 C ATOM 2080 CD1 LEU A 129 7.803 -1.949 16.377 1.00 0.00 C ATOM 2081 CD2 LEU A 129 9.142 -1.617 14.292 1.00 0.00 C ATOM 0 H LEU A 129 5.596 -4.290 14.618 1.00 0.00 H new ATOM 0 HA LEU A 129 7.449 -5.007 13.604 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.933 -4.136 16.095 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.472 -4.052 14.430 1.00 0.00 H new ATOM 0 HG LEU A 129 7.193 -2.476 14.404 1.00 0.00 H new ATOM 0 HD11 LEU A 129 7.456 -0.919 16.295 1.00 0.00 H new ATOM 0 HD12 LEU A 129 7.027 -2.557 16.842 1.00 0.00 H new ATOM 0 HD13 LEU A 129 8.704 -1.981 16.989 1.00 0.00 H new ATOM 0 HD21 LEU A 129 8.775 -0.592 14.242 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.078 -1.640 14.851 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.313 -1.991 13.283 1.00 0.00 H new