USER MOD reduce.3.24.130724 H: found=0, std=0, add=1424, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1422 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 25 HIS HD1 : A 25 HIS ND1 : A 94 ZNZN :(H bumps) USER MOD NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : B 94 ZNZN :(H bumps) USER MOD NoAdj-H: B 25 HIS HD1 : B 25 HIS ND1 : B 94 ZNZN :(H bumps) USER MOD NoAdj-H: B 85 HIS HE2 : B 85 HIS NE2 : A 94 ZNZN :(H bumps) USER MOD Set 1.1: B 55 LYS NZ :NH3+ 136:sc= -0.452 (180deg=-1.44!) USER MOD Set 1.2: B 59 THR OG1 : rot -170:sc= 0 USER MOD Set 2.1: B 29 LYS NZ :NH3+ 176:sc=0.000436 (180deg=0) USER MOD Set 2.2: B 50 GLN : amide:sc= 0 X(o=0.00044,f=0) USER MOD Set 3.1: B 17 TYR OH : rot 30:sc= -0.0615 USER MOD Set 3.2: B 38 ASN :FLIP amide:sc= -0.315 F(o=-2.6!,f=-0.38) USER MOD Set 4.1: A 55 LYS NZ :NH3+ 140:sc= -0.461 (180deg=-1.43!) USER MOD Set 4.2: A 59 THR OG1 : rot -170:sc=-0.00124 USER MOD Set 5.1: A 29 LYS NZ :NH3+ 172:sc=0.000639 (180deg=0) USER MOD Set 5.2: A 50 GLN : amide:sc= 0.00101 X(o=0.0017,f=0) USER MOD Set 6.1: A 17 TYR OH : rot 30:sc= -0.0701 USER MOD Set 6.2: A 38 ASN :FLIP amide:sc= -0.285 F(o=-2.6!,f=-0.35) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 150:sc= 0.322 (180deg=0.0535!) USER MOD Single : A 1 SER OG : rot 169:sc= 0.499 USER MOD Single : A 5 LYS NZ :NH3+ -174:sc= -0.883 (180deg=-1.21) USER MOD Single : A 7 MET CE :methyl -167:sc= -0.126 (180deg=-0.469) USER MOD Single : A 15 HIS : no HE2:sc= -1.84 X(o=-1.8,f=-1.6) USER MOD Single : A 16 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.3) USER MOD Single : A 18 SER OG : rot 140:sc= -4.05! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= -1.85 (180deg=-2.68) USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.0106 (180deg=-0.205) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0266 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0.351 K(o=0.35,f=-2!) USER MOD Single : A 41 SER OG : rot 180:sc=-0.00844 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.117) USER MOD Single : A 57 MET CE :methyl 172:sc= -1.37 (180deg=-1.54) USER MOD Single : A 68 CYS SG : rot -71:sc= -1.72! USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 74 MET CE :methyl -163:sc= -2.96 (180deg=-4.3!) USER MOD Single : A 78 SER OG : rot -154:sc= 0.361 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 72:sc= 0.247 USER MOD Single : A 82 THR OG1 : rot 4:sc= -1.28 USER MOD Single : A 84 CYS SG : rot 75:sc= 0.122 USER MOD Single : A 90 HIS : no HD1:sc= -0.126 K(o=-0.13,f=-0.66) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ 164:sc= 0.47 (180deg=0.084!) USER MOD Single : B 1 SER OG : rot 170:sc= 0.486 USER MOD Single : B 5 LYS NZ :NH3+ -168:sc= -0.861 (180deg=-1.08) USER MOD Single : B 7 MET CE :methyl -169:sc= -0.228 (180deg=-0.493) USER MOD Single : B 15 HIS : no HE2:sc= -1.18 X(o=-1.2,f=-1.4) USER MOD Single : B 16 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.32) USER MOD Single : B 18 SER OG : rot 140:sc= -4.04! USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 LYS NZ :NH3+ 166:sc= -1.66 (180deg=-2.51) USER MOD Single : B 28 LYS NZ :NH3+ -164:sc=-0.00653 (180deg=-0.191) USER MOD Single : B 30 SER OG : rot 180:sc= 0.0195 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= 0.37 K(o=0.37,f=-2.1!) USER MOD Single : B 41 SER OG : rot 180:sc=-0.00783 USER MOD Single : B 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 48 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.116) USER MOD Single : B 57 MET CE :methyl 173:sc= -1.39 (180deg=-1.56) USER MOD Single : B 68 CYS SG : rot -65:sc= -1.74! USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : B 74 MET CE :methyl -163:sc= -2.7 (180deg=-3.91) USER MOD Single : B 78 SER OG : rot -155:sc= 0.263 USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 81 THR OG1 : rot 76:sc= 0.45 USER MOD Single : B 82 THR OG1 : rot 7:sc= -1.24 USER MOD Single : B 84 CYS SG : rot 73:sc= 0.114 USER MOD Single : B 90 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -11.115 2.609 16.823 1.00 0.00 N ATOM 2 CA MET A 0 -10.032 1.683 16.387 1.00 0.00 C ATOM 3 C MET A 0 -9.757 1.885 14.896 1.00 0.00 C ATOM 4 O MET A 0 -10.090 1.051 14.077 1.00 0.00 O ATOM 5 CB MET A 0 -10.464 0.236 16.633 1.00 0.00 C ATOM 6 CG MET A 0 -10.444 -0.056 18.135 1.00 0.00 C ATOM 7 SD MET A 0 -11.722 0.925 18.958 1.00 0.00 S ATOM 8 CE MET A 0 -11.223 0.564 20.660 1.00 0.00 C ATOM 0 H1 MET A 0 -11.646 2.178 17.607 1.00 0.00 H new ATOM 0 H2 MET A 0 -10.697 3.507 17.141 1.00 0.00 H new ATOM 0 H3 MET A 0 -11.759 2.789 16.027 1.00 0.00 H new ATOM 0 HA MET A 0 -9.126 1.893 16.956 1.00 0.00 H new ATOM 0 HB2 MET A 0 -11.465 0.071 16.233 1.00 0.00 H new ATOM 0 HB3 MET A 0 -9.795 -0.448 16.110 1.00 0.00 H new ATOM 0 HG2 MET A 0 -10.615 -1.118 18.312 1.00 0.00 H new ATOM 0 HG3 MET A 0 -9.464 0.182 18.550 1.00 0.00 H new ATOM 0 HE1 MET A 0 -11.890 1.079 21.352 1.00 0.00 H new ATOM 0 HE2 MET A 0 -11.278 -0.510 20.835 1.00 0.00 H new ATOM 0 HE3 MET A 0 -10.200 0.906 20.820 1.00 0.00 H new ATOM 20 N SER A 1 -9.149 2.982 14.536 1.00 0.00 N ATOM 21 CA SER A 1 -8.851 3.225 13.098 1.00 0.00 C ATOM 22 C SER A 1 -7.621 2.407 12.697 1.00 0.00 C ATOM 23 O SER A 1 -6.513 2.904 12.652 1.00 0.00 O ATOM 24 CB SER A 1 -8.590 4.715 12.867 1.00 0.00 C ATOM 25 OG SER A 1 -7.859 5.241 13.967 1.00 0.00 O ATOM 0 H SER A 1 -8.847 3.718 15.174 1.00 0.00 H new ATOM 0 HA SER A 1 -9.703 2.921 12.489 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.031 4.859 11.942 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.534 5.248 12.755 1.00 0.00 H new ATOM 0 HG SER A 1 -7.544 6.143 13.749 1.00 0.00 H new ATOM 31 N GLU A 2 -7.819 1.153 12.407 1.00 0.00 N ATOM 32 CA GLU A 2 -6.675 0.290 12.007 1.00 0.00 C ATOM 33 C GLU A 2 -5.919 0.953 10.852 1.00 0.00 C ATOM 34 O GLU A 2 -4.718 0.829 10.730 1.00 0.00 O ATOM 35 CB GLU A 2 -7.194 -1.078 11.555 1.00 0.00 C ATOM 36 CG GLU A 2 -8.246 -1.598 12.551 1.00 0.00 C ATOM 37 CD GLU A 2 -9.633 -1.056 12.186 1.00 0.00 C ATOM 38 OE1 GLU A 2 -9.694 -0.062 11.483 1.00 0.00 O ATOM 39 OE2 GLU A 2 -10.610 -1.647 12.617 1.00 0.00 O ATOM 0 H GLU A 2 -8.726 0.687 12.430 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.006 0.160 12.857 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.631 -0.999 10.560 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.367 -1.785 11.485 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.259 -2.688 12.541 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.982 -1.291 13.563 1.00 0.00 H new ATOM 46 N LEU A 3 -6.617 1.652 10.002 1.00 0.00 N ATOM 47 CA LEU A 3 -5.946 2.317 8.849 1.00 0.00 C ATOM 48 C LEU A 3 -5.117 3.517 9.344 1.00 0.00 C ATOM 49 O LEU A 3 -4.200 3.957 8.680 1.00 0.00 O ATOM 50 CB LEU A 3 -7.026 2.786 7.839 1.00 0.00 C ATOM 51 CG LEU A 3 -7.094 1.859 6.605 1.00 0.00 C ATOM 52 CD1 LEU A 3 -5.944 2.190 5.648 1.00 0.00 C ATOM 53 CD2 LEU A 3 -7.029 0.371 7.021 1.00 0.00 C ATOM 0 H LEU A 3 -7.626 1.792 10.055 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.273 1.614 8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.999 2.810 8.331 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.806 3.804 7.518 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.046 2.025 6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.994 1.535 4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.026 3.228 5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.992 2.043 6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.079 -0.258 6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.094 0.181 7.548 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.868 0.140 7.677 1.00 0.00 H new ATOM 65 N GLU A 4 -5.427 4.048 10.493 1.00 0.00 N ATOM 66 CA GLU A 4 -4.646 5.212 11.002 1.00 0.00 C ATOM 67 C GLU A 4 -3.297 4.716 11.526 1.00 0.00 C ATOM 68 O GLU A 4 -2.291 5.392 11.423 1.00 0.00 O ATOM 69 CB GLU A 4 -5.426 5.902 12.129 1.00 0.00 C ATOM 70 CG GLU A 4 -4.535 6.943 12.818 1.00 0.00 C ATOM 71 CD GLU A 4 -5.400 7.909 13.631 1.00 0.00 C ATOM 72 OE1 GLU A 4 -6.613 7.794 13.561 1.00 0.00 O ATOM 73 OE2 GLU A 4 -4.835 8.749 14.312 1.00 0.00 O ATOM 0 H GLU A 4 -6.183 3.730 11.100 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.482 5.929 10.197 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.317 6.383 11.725 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.764 5.162 12.855 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.817 6.446 13.471 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.961 7.494 12.073 1.00 0.00 H new ATOM 80 N LYS A 5 -3.269 3.539 12.082 1.00 0.00 N ATOM 81 CA LYS A 5 -1.987 2.992 12.610 1.00 0.00 C ATOM 82 C LYS A 5 -1.062 2.653 11.439 1.00 0.00 C ATOM 83 O LYS A 5 0.113 2.961 11.454 1.00 0.00 O ATOM 84 CB LYS A 5 -2.286 1.728 13.438 1.00 0.00 C ATOM 85 CG LYS A 5 -2.668 2.126 14.878 1.00 0.00 C ATOM 86 CD LYS A 5 -3.582 1.055 15.513 1.00 0.00 C ATOM 87 CE LYS A 5 -5.058 1.367 15.210 1.00 0.00 C ATOM 88 NZ LYS A 5 -5.848 0.103 15.259 1.00 0.00 N ATOM 0 H LYS A 5 -4.079 2.930 12.195 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.496 3.729 13.245 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.098 1.165 12.979 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.413 1.075 13.451 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.767 2.246 15.479 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.177 3.090 14.872 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.324 0.070 15.124 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.423 1.024 16.591 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.447 2.081 15.936 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.150 1.829 14.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.825 0.292 14.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.418 -0.600 14.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.853 -0.266 16.231 1.00 0.00 H new ATOM 102 N ALA A 6 -1.581 2.014 10.430 1.00 0.00 N ATOM 103 CA ALA A 6 -0.733 1.647 9.262 1.00 0.00 C ATOM 104 C ALA A 6 -0.191 2.906 8.591 1.00 0.00 C ATOM 105 O ALA A 6 1.001 3.063 8.415 1.00 0.00 O ATOM 106 CB ALA A 6 -1.573 0.864 8.256 1.00 0.00 C ATOM 0 H ALA A 6 -2.558 1.729 10.363 1.00 0.00 H new ATOM 0 HA ALA A 6 0.102 1.037 9.605 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.956 0.593 7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.956 -0.041 8.728 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.408 1.480 7.922 1.00 0.00 H new ATOM 112 N MET A 7 -1.051 3.799 8.207 1.00 0.00 N ATOM 113 CA MET A 7 -0.580 5.041 7.539 1.00 0.00 C ATOM 114 C MET A 7 0.531 5.682 8.370 1.00 0.00 C ATOM 115 O MET A 7 1.501 6.183 7.843 1.00 0.00 O ATOM 116 CB MET A 7 -1.741 6.034 7.412 1.00 0.00 C ATOM 117 CG MET A 7 -2.845 5.451 6.525 1.00 0.00 C ATOM 118 SD MET A 7 -4.405 6.301 6.891 1.00 0.00 S ATOM 119 CE MET A 7 -5.077 6.341 5.209 1.00 0.00 C ATOM 0 H MET A 7 -2.061 3.725 8.326 1.00 0.00 H new ATOM 0 HA MET A 7 -0.202 4.789 6.548 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.142 6.264 8.399 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.382 6.972 6.988 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.587 5.573 5.473 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.948 4.381 6.706 1.00 0.00 H new ATOM 0 HE1 MET A 7 -5.926 7.024 5.172 1.00 0.00 H new ATOM 0 HE2 MET A 7 -4.307 6.682 4.517 1.00 0.00 H new ATOM 0 HE3 MET A 7 -5.403 5.341 4.924 1.00 0.00 H new ATOM 129 N VAL A 8 0.397 5.676 9.665 1.00 0.00 N ATOM 130 CA VAL A 8 1.450 6.299 10.518 1.00 0.00 C ATOM 131 C VAL A 8 2.690 5.406 10.524 1.00 0.00 C ATOM 132 O VAL A 8 3.809 5.872 10.430 1.00 0.00 O ATOM 133 CB VAL A 8 0.909 6.465 11.948 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.057 6.765 12.921 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.097 7.620 11.974 1.00 0.00 C ATOM 0 H VAL A 8 -0.391 5.270 10.170 1.00 0.00 H new ATOM 0 HA VAL A 8 1.720 7.278 10.122 1.00 0.00 H new ATOM 0 HB VAL A 8 0.422 5.540 12.255 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.659 6.880 13.929 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.772 5.942 12.905 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.557 7.686 12.621 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.484 7.743 12.986 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.397 8.540 11.661 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.921 7.401 11.294 1.00 0.00 H new ATOM 145 N ALA A 9 2.499 4.129 10.641 1.00 0.00 N ATOM 146 CA ALA A 9 3.660 3.205 10.662 1.00 0.00 C ATOM 147 C ALA A 9 4.458 3.338 9.357 1.00 0.00 C ATOM 148 O ALA A 9 5.670 3.234 9.352 1.00 0.00 O ATOM 149 CB ALA A 9 3.157 1.769 10.815 1.00 0.00 C ATOM 0 H ALA A 9 1.586 3.682 10.723 1.00 0.00 H new ATOM 0 HA ALA A 9 4.309 3.457 11.500 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.006 1.086 10.831 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.599 1.676 11.747 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.507 1.520 9.976 1.00 0.00 H new ATOM 155 N LEU A 10 3.796 3.553 8.247 1.00 0.00 N ATOM 156 CA LEU A 10 4.543 3.669 6.959 1.00 0.00 C ATOM 157 C LEU A 10 5.149 5.072 6.805 1.00 0.00 C ATOM 158 O LEU A 10 6.299 5.204 6.471 1.00 0.00 O ATOM 159 CB LEU A 10 3.594 3.358 5.785 1.00 0.00 C ATOM 160 CG LEU A 10 3.639 1.856 5.470 1.00 0.00 C ATOM 161 CD1 LEU A 10 3.239 1.058 6.711 1.00 0.00 C ATOM 162 CD2 LEU A 10 2.675 1.537 4.331 1.00 0.00 C ATOM 0 H LEU A 10 2.783 3.652 8.178 1.00 0.00 H new ATOM 0 HA LEU A 10 5.362 2.949 6.958 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.577 3.656 6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.886 3.933 4.906 1.00 0.00 H new ATOM 0 HG LEU A 10 4.652 1.585 5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.272 -0.008 6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.931 1.278 7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.228 1.334 7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.711 0.470 4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.662 1.813 4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.962 2.100 3.443 1.00 0.00 H new ATOM 174 N ILE A 11 4.394 6.112 7.032 1.00 0.00 N ATOM 175 CA ILE A 11 4.943 7.498 6.870 1.00 0.00 C ATOM 176 C ILE A 11 6.329 7.581 7.517 1.00 0.00 C ATOM 177 O ILE A 11 7.173 8.351 7.103 1.00 0.00 O ATOM 178 CB ILE A 11 3.986 8.499 7.539 1.00 0.00 C ATOM 179 CG1 ILE A 11 2.751 8.670 6.653 1.00 0.00 C ATOM 180 CG2 ILE A 11 4.671 9.859 7.713 1.00 0.00 C ATOM 181 CD1 ILE A 11 1.641 9.369 7.440 1.00 0.00 C ATOM 0 H ILE A 11 3.418 6.066 7.324 1.00 0.00 H new ATOM 0 HA ILE A 11 5.035 7.739 5.811 1.00 0.00 H new ATOM 0 HB ILE A 11 3.701 8.120 8.520 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.005 9.254 5.768 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.405 7.697 6.304 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.981 10.556 8.188 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.556 9.743 8.338 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.964 10.246 6.737 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.764 9.488 6.804 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.379 8.768 8.311 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.988 10.349 7.766 1.00 0.00 H new ATOM 193 N ASP A 12 6.575 6.787 8.518 1.00 0.00 N ATOM 194 CA ASP A 12 7.913 6.814 9.175 1.00 0.00 C ATOM 195 C ASP A 12 8.908 6.009 8.331 1.00 0.00 C ATOM 196 O ASP A 12 9.972 6.483 7.989 1.00 0.00 O ATOM 197 CB ASP A 12 7.811 6.202 10.573 1.00 0.00 C ATOM 198 CG ASP A 12 7.095 7.182 11.505 1.00 0.00 C ATOM 199 OD1 ASP A 12 6.091 7.737 11.089 1.00 0.00 O ATOM 200 OD2 ASP A 12 7.562 7.361 12.617 1.00 0.00 O ATOM 0 H ASP A 12 5.910 6.121 8.911 1.00 0.00 H new ATOM 0 HA ASP A 12 8.257 7.845 9.259 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.266 5.259 10.530 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.806 5.978 10.958 1.00 0.00 H new ATOM 205 N VAL A 13 8.562 4.800 7.984 1.00 0.00 N ATOM 206 CA VAL A 13 9.477 3.967 7.152 1.00 0.00 C ATOM 207 C VAL A 13 9.453 4.483 5.709 1.00 0.00 C ATOM 208 O VAL A 13 10.398 4.319 4.963 1.00 0.00 O ATOM 209 CB VAL A 13 9.029 2.497 7.210 1.00 0.00 C ATOM 210 CG1 VAL A 13 10.074 1.598 6.540 1.00 0.00 C ATOM 211 CG2 VAL A 13 8.862 2.082 8.680 1.00 0.00 C ATOM 0 H VAL A 13 7.683 4.351 8.241 1.00 0.00 H new ATOM 0 HA VAL A 13 10.495 4.034 7.535 1.00 0.00 H new ATOM 0 HB VAL A 13 8.082 2.388 6.682 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.745 0.560 6.588 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.193 1.893 5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.028 1.701 7.058 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.544 1.041 8.730 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.813 2.197 9.201 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.110 2.714 9.153 1.00 0.00 H new ATOM 221 N PHE A 14 8.375 5.102 5.317 1.00 0.00 N ATOM 222 CA PHE A 14 8.282 5.630 3.924 1.00 0.00 C ATOM 223 C PHE A 14 9.201 6.852 3.767 1.00 0.00 C ATOM 224 O PHE A 14 9.912 6.979 2.791 1.00 0.00 O ATOM 225 CB PHE A 14 6.818 6.006 3.625 1.00 0.00 C ATOM 226 CG PHE A 14 6.735 7.022 2.502 1.00 0.00 C ATOM 227 CD1 PHE A 14 7.451 6.817 1.319 1.00 0.00 C ATOM 228 CD2 PHE A 14 5.946 8.171 2.654 1.00 0.00 C ATOM 229 CE1 PHE A 14 7.379 7.759 0.286 1.00 0.00 C ATOM 230 CE2 PHE A 14 5.875 9.112 1.621 1.00 0.00 C ATOM 231 CZ PHE A 14 6.591 8.906 0.438 1.00 0.00 C ATOM 0 H PHE A 14 7.554 5.266 5.899 1.00 0.00 H new ATOM 0 HA PHE A 14 8.605 4.867 3.215 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.258 5.112 3.353 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.353 6.413 4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.059 5.932 1.202 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.393 8.330 3.568 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.931 7.601 -0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.267 9.997 1.737 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.536 9.632 -0.359 1.00 0.00 H new ATOM 241 N HIS A 15 9.181 7.759 4.703 1.00 0.00 N ATOM 242 CA HIS A 15 10.040 8.976 4.580 1.00 0.00 C ATOM 243 C HIS A 15 11.497 8.643 4.945 1.00 0.00 C ATOM 244 O HIS A 15 12.423 9.194 4.386 1.00 0.00 O ATOM 245 CB HIS A 15 9.492 10.069 5.522 1.00 0.00 C ATOM 246 CG HIS A 15 9.707 11.443 4.932 1.00 0.00 C ATOM 247 ND1 HIS A 15 9.004 12.549 5.382 1.00 0.00 N ATOM 248 CD2 HIS A 15 10.528 11.903 3.931 1.00 0.00 C ATOM 249 CE1 HIS A 15 9.407 13.608 4.659 1.00 0.00 C ATOM 250 NE2 HIS A 15 10.335 13.271 3.759 1.00 0.00 N ATOM 0 H HIS A 15 8.610 7.713 5.547 1.00 0.00 H new ATOM 0 HA HIS A 15 10.021 9.333 3.550 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.429 9.905 5.696 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.988 10.003 6.491 1.00 0.00 H new ATOM 0 HD1 HIS A 15 8.307 12.558 6.127 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.218 11.296 3.364 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.027 14.610 4.790 1.00 0.00 H new ATOM 258 N GLN A 16 11.705 7.765 5.889 1.00 0.00 N ATOM 259 CA GLN A 16 13.101 7.425 6.294 1.00 0.00 C ATOM 260 C GLN A 16 13.824 6.680 5.166 1.00 0.00 C ATOM 261 O GLN A 16 14.986 6.919 4.899 1.00 0.00 O ATOM 262 CB GLN A 16 13.065 6.549 7.548 1.00 0.00 C ATOM 263 CG GLN A 16 12.624 7.397 8.744 1.00 0.00 C ATOM 264 CD GLN A 16 12.258 6.483 9.915 1.00 0.00 C ATOM 265 OE1 GLN A 16 11.267 6.701 10.583 1.00 0.00 O ATOM 266 NE2 GLN A 16 13.022 5.463 10.193 1.00 0.00 N ATOM 0 H GLN A 16 10.972 7.269 6.396 1.00 0.00 H new ATOM 0 HA GLN A 16 13.642 8.348 6.502 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.377 5.716 7.404 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.050 6.120 7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.425 8.076 9.036 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.768 8.013 8.470 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.854 5.281 9.631 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.788 4.848 10.972 1.00 0.00 H new ATOM 275 N TYR A 17 13.153 5.783 4.495 1.00 0.00 N ATOM 276 CA TYR A 17 13.819 5.033 3.386 1.00 0.00 C ATOM 277 C TYR A 17 13.676 5.822 2.089 1.00 0.00 C ATOM 278 O TYR A 17 14.656 6.179 1.466 1.00 0.00 O ATOM 279 CB TYR A 17 13.184 3.640 3.253 1.00 0.00 C ATOM 280 CG TYR A 17 13.833 2.701 4.249 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.418 2.699 5.587 1.00 0.00 C ATOM 282 CD2 TYR A 17 14.864 1.849 3.836 1.00 0.00 C ATOM 283 CE1 TYR A 17 14.033 1.843 6.510 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.480 0.995 4.758 1.00 0.00 C ATOM 285 CZ TYR A 17 15.064 0.992 6.097 1.00 0.00 C ATOM 286 OH TYR A 17 15.671 0.150 7.007 1.00 0.00 O ATOM 0 H TYR A 17 12.178 5.536 4.664 1.00 0.00 H new ATOM 0 HA TYR A 17 14.880 4.908 3.604 1.00 0.00 H new ATOM 0 HB2 TYR A 17 12.111 3.697 3.435 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.316 3.262 2.239 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.624 3.357 5.907 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.185 1.851 2.805 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.711 1.840 7.541 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.276 0.338 4.438 1.00 0.00 H new ATOM 0 HH TYR A 17 15.028 -0.097 7.704 1.00 0.00 H new ATOM 296 N SER A 18 12.478 6.127 1.679 1.00 0.00 N ATOM 297 CA SER A 18 12.322 6.921 0.433 1.00 0.00 C ATOM 298 C SER A 18 13.176 8.186 0.573 1.00 0.00 C ATOM 299 O SER A 18 13.551 8.814 -0.397 1.00 0.00 O ATOM 300 CB SER A 18 10.850 7.297 0.243 1.00 0.00 C ATOM 301 OG SER A 18 10.619 7.615 -1.123 1.00 0.00 O ATOM 0 H SER A 18 11.610 5.864 2.147 1.00 0.00 H new ATOM 0 HA SER A 18 12.644 6.344 -0.434 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.209 6.470 0.549 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.596 8.148 0.875 1.00 0.00 H new ATOM 0 HG SER A 18 9.755 7.247 -1.403 1.00 0.00 H new ATOM 307 N GLY A 19 13.483 8.554 1.794 1.00 0.00 N ATOM 308 CA GLY A 19 14.312 9.772 2.049 1.00 0.00 C ATOM 309 C GLY A 19 15.765 9.376 2.355 1.00 0.00 C ATOM 310 O GLY A 19 16.600 10.224 2.599 1.00 0.00 O ATOM 0 H GLY A 19 13.190 8.055 2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.283 10.428 1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.897 10.333 2.886 1.00 0.00 H new ATOM 314 N ARG A 20 16.086 8.107 2.329 1.00 0.00 N ATOM 315 CA ARG A 20 17.498 7.698 2.603 1.00 0.00 C ATOM 316 C ARG A 20 18.401 8.375 1.578 1.00 0.00 C ATOM 317 O ARG A 20 19.463 8.874 1.893 1.00 0.00 O ATOM 318 CB ARG A 20 17.622 6.174 2.470 1.00 0.00 C ATOM 319 CG ARG A 20 19.064 5.718 2.726 1.00 0.00 C ATOM 320 CD ARG A 20 19.196 4.241 2.352 1.00 0.00 C ATOM 321 NE ARG A 20 20.558 3.759 2.713 1.00 0.00 N ATOM 322 CZ ARG A 20 21.584 4.103 1.984 1.00 0.00 C ATOM 323 NH1 ARG A 20 21.413 4.865 0.937 1.00 0.00 N ATOM 324 NH2 ARG A 20 22.779 3.687 2.300 1.00 0.00 N ATOM 0 H ARG A 20 15.439 7.343 2.132 1.00 0.00 H new ATOM 0 HA ARG A 20 17.788 7.993 3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.951 5.687 3.178 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.310 5.865 1.472 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.758 6.318 2.138 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.324 5.865 3.774 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.440 3.654 2.873 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.022 4.108 1.284 1.00 0.00 H new ATOM 0 HE ARG A 20 20.689 3.161 3.529 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.478 5.190 0.690 1.00 0.00 H new ATOM 0 HH12 ARG A 20 22.214 5.135 0.366 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.912 3.092 3.118 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.580 3.957 1.729 1.00 0.00 H new ATOM 338 N GLU A 21 17.975 8.391 0.350 1.00 0.00 N ATOM 339 CA GLU A 21 18.790 9.035 -0.722 1.00 0.00 C ATOM 340 C GLU A 21 17.857 9.565 -1.816 1.00 0.00 C ATOM 341 O GLU A 21 16.673 9.291 -1.822 1.00 0.00 O ATOM 342 CB GLU A 21 19.768 8.006 -1.310 1.00 0.00 C ATOM 343 CG GLU A 21 19.115 6.622 -1.318 1.00 0.00 C ATOM 344 CD GLU A 21 20.029 5.632 -2.040 1.00 0.00 C ATOM 345 OE1 GLU A 21 21.232 5.722 -1.854 1.00 0.00 O ATOM 346 OE2 GLU A 21 19.512 4.798 -2.766 1.00 0.00 O ATOM 0 H GLU A 21 17.093 7.985 0.037 1.00 0.00 H new ATOM 0 HA GLU A 21 19.360 9.866 -0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.047 8.293 -2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.685 7.983 -0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.934 6.288 -0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.146 6.668 -1.815 1.00 0.00 H new ATOM 353 N GLY A 22 18.383 10.330 -2.736 1.00 0.00 N ATOM 354 CA GLY A 22 17.532 10.892 -3.829 1.00 0.00 C ATOM 355 C GLY A 22 17.036 12.279 -3.417 1.00 0.00 C ATOM 356 O GLY A 22 17.556 12.887 -2.502 1.00 0.00 O ATOM 0 H GLY A 22 19.368 10.591 -2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 22 18.104 10.957 -4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.686 10.233 -4.023 1.00 0.00 H new ATOM 360 N ASP A 23 16.034 12.787 -4.081 1.00 0.00 N ATOM 361 CA ASP A 23 15.510 14.136 -3.721 1.00 0.00 C ATOM 362 C ASP A 23 15.234 14.188 -2.217 1.00 0.00 C ATOM 363 O ASP A 23 15.920 14.859 -1.473 1.00 0.00 O ATOM 364 CB ASP A 23 14.213 14.399 -4.489 1.00 0.00 C ATOM 365 CG ASP A 23 13.736 15.826 -4.215 1.00 0.00 C ATOM 366 OD1 ASP A 23 14.581 16.683 -4.014 1.00 0.00 O ATOM 367 OD2 ASP A 23 12.535 16.038 -4.212 1.00 0.00 O ATOM 0 H ASP A 23 15.556 12.328 -4.856 1.00 0.00 H new ATOM 0 HA ASP A 23 16.246 14.896 -3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.376 14.258 -5.557 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.448 13.684 -4.186 1.00 0.00 H new ATOM 372 N LYS A 24 14.238 13.478 -1.766 1.00 0.00 N ATOM 373 CA LYS A 24 13.917 13.480 -0.310 1.00 0.00 C ATOM 374 C LYS A 24 12.849 12.422 -0.026 1.00 0.00 C ATOM 375 O LYS A 24 12.529 12.137 1.110 1.00 0.00 O ATOM 376 CB LYS A 24 13.390 14.864 0.105 1.00 0.00 C ATOM 377 CG LYS A 24 13.546 15.057 1.632 1.00 0.00 C ATOM 378 CD LYS A 24 12.435 15.971 2.165 1.00 0.00 C ATOM 379 CE LYS A 24 12.764 16.395 3.598 1.00 0.00 C ATOM 380 NZ LYS A 24 11.592 17.102 4.187 1.00 0.00 N ATOM 0 H LYS A 24 13.631 12.895 -2.343 1.00 0.00 H new ATOM 0 HA LYS A 24 14.819 13.254 0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.936 15.644 -0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 24 12.342 14.962 -0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.505 14.091 2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.521 15.490 1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.336 16.850 1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.478 15.450 2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.015 15.521 4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.637 17.048 3.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.814 17.391 5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.373 17.944 3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.770 16.465 4.194 1.00 0.00 H new ATOM 394 N HIS A 25 12.290 11.840 -1.053 1.00 0.00 N ATOM 395 CA HIS A 25 11.238 10.806 -0.834 1.00 0.00 C ATOM 396 C HIS A 25 11.037 9.991 -2.121 1.00 0.00 C ATOM 397 O HIS A 25 10.007 10.056 -2.764 1.00 0.00 O ATOM 398 CB HIS A 25 9.916 11.486 -0.395 1.00 0.00 C ATOM 399 CG HIS A 25 9.920 12.935 -0.807 1.00 0.00 C ATOM 400 ND1 HIS A 25 9.686 13.960 0.102 1.00 0.00 N ATOM 401 CD2 HIS A 25 10.128 13.547 -2.018 1.00 0.00 C ATOM 402 CE1 HIS A 25 9.757 15.123 -0.572 1.00 0.00 C ATOM 403 NE2 HIS A 25 10.023 14.925 -1.864 1.00 0.00 N ATOM 0 H HIS A 25 12.515 12.034 -2.029 1.00 0.00 H new ATOM 0 HA HIS A 25 11.552 10.126 -0.042 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.067 10.973 -0.846 1.00 0.00 H new ATOM 0 HB3 HIS A 25 9.798 11.407 0.686 1.00 0.00 H new ATOM 0 HD2 HIS A 25 10.340 13.037 -2.946 1.00 0.00 H new ATOM 0 HE1 HIS A 25 9.616 16.095 -0.123 1.00 0.00 H new ATOM 0 HE2 HIS A 25 10.128 15.636 -2.588 1.00 0.00 H new ATOM 411 N LYS A 26 12.020 9.214 -2.488 1.00 0.00 N ATOM 412 CA LYS A 26 11.933 8.364 -3.709 1.00 0.00 C ATOM 413 C LYS A 26 12.485 6.990 -3.316 1.00 0.00 C ATOM 414 O LYS A 26 13.436 6.912 -2.564 1.00 0.00 O ATOM 415 CB LYS A 26 12.818 8.990 -4.797 1.00 0.00 C ATOM 416 CG LYS A 26 12.693 8.203 -6.111 1.00 0.00 C ATOM 417 CD LYS A 26 11.359 8.539 -6.840 1.00 0.00 C ATOM 418 CE LYS A 26 10.518 7.273 -7.008 1.00 0.00 C ATOM 419 NZ LYS A 26 9.225 7.619 -7.664 1.00 0.00 N ATOM 0 H LYS A 26 12.900 9.132 -1.980 1.00 0.00 H new ATOM 0 HA LYS A 26 10.913 8.281 -4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.527 10.028 -4.959 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.857 8.998 -4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.536 8.438 -6.761 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.739 7.134 -5.904 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.801 9.282 -6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.569 8.977 -7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.059 6.542 -7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.334 6.814 -6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.735 6.746 -7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.629 8.150 -6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.408 8.202 -8.506 1.00 0.00 H new ATOM 433 N LEU A 27 11.918 5.901 -3.786 1.00 0.00 N ATOM 434 CA LEU A 27 12.462 4.565 -3.376 1.00 0.00 C ATOM 435 C LEU A 27 13.506 4.082 -4.389 1.00 0.00 C ATOM 436 O LEU A 27 13.219 3.877 -5.552 1.00 0.00 O ATOM 437 CB LEU A 27 11.314 3.554 -3.287 1.00 0.00 C ATOM 438 CG LEU A 27 11.763 2.288 -2.519 1.00 0.00 C ATOM 439 CD1 LEU A 27 10.531 1.510 -2.042 1.00 0.00 C ATOM 440 CD2 LEU A 27 12.638 1.389 -3.419 1.00 0.00 C ATOM 0 H LEU A 27 11.120 5.878 -4.421 1.00 0.00 H new ATOM 0 HA LEU A 27 12.941 4.658 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.460 4.008 -2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.984 3.280 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 27 12.355 2.593 -1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.850 0.619 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.935 2.141 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.930 1.216 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.944 0.504 -2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.066 1.086 -4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.522 1.942 -3.736 1.00 0.00 H new ATOM 452 N LYS A 28 14.719 3.880 -3.931 1.00 0.00 N ATOM 453 CA LYS A 28 15.814 3.384 -4.823 1.00 0.00 C ATOM 454 C LYS A 28 16.141 1.938 -4.452 1.00 0.00 C ATOM 455 O LYS A 28 15.982 1.533 -3.320 1.00 0.00 O ATOM 456 CB LYS A 28 17.065 4.240 -4.627 1.00 0.00 C ATOM 457 CG LYS A 28 16.793 5.665 -5.111 1.00 0.00 C ATOM 458 CD LYS A 28 18.109 6.441 -5.151 1.00 0.00 C ATOM 459 CE LYS A 28 17.865 7.838 -5.725 1.00 0.00 C ATOM 460 NZ LYS A 28 17.623 7.738 -7.192 1.00 0.00 N ATOM 0 H LYS A 28 15.000 4.040 -2.964 1.00 0.00 H new ATOM 0 HA LYS A 28 15.491 3.443 -5.862 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.349 4.251 -3.575 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.901 3.811 -5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 28 16.338 5.645 -6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.085 6.159 -4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.528 6.517 -4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.838 5.908 -5.761 1.00 0.00 H new ATOM 0 HE2 LYS A 28 17.008 8.299 -5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 28 18.726 8.478 -5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.710 8.680 -7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.324 7.097 -7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.667 7.366 -7.362 1.00 0.00 H new ATOM 474 N LYS A 29 16.604 1.157 -5.389 1.00 0.00 N ATOM 475 CA LYS A 29 16.947 -0.265 -5.083 1.00 0.00 C ATOM 476 C LYS A 29 17.702 -0.346 -3.748 1.00 0.00 C ATOM 477 O LYS A 29 17.359 -1.118 -2.874 1.00 0.00 O ATOM 478 CB LYS A 29 17.820 -0.821 -6.212 1.00 0.00 C ATOM 479 CG LYS A 29 18.178 -2.285 -5.922 1.00 0.00 C ATOM 480 CD LYS A 29 18.559 -3.003 -7.228 1.00 0.00 C ATOM 481 CE LYS A 29 19.584 -2.165 -8.004 1.00 0.00 C ATOM 482 NZ LYS A 29 20.296 -3.032 -8.985 1.00 0.00 N ATOM 0 H LYS A 29 16.761 1.441 -6.356 1.00 0.00 H new ATOM 0 HA LYS A 29 16.033 -0.854 -5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.291 -0.748 -7.162 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.729 -0.227 -6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 29 19.007 -2.332 -5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.332 -2.789 -5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.974 -3.986 -7.005 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.670 -3.163 -7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 29 19.083 -1.347 -8.522 1.00 0.00 H new ATOM 0 HE3 LYS A 29 20.299 -1.715 -7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.891 -2.442 -9.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.894 -3.714 -8.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.601 -3.546 -9.563 1.00 0.00 H new ATOM 496 N SER A 30 18.727 0.444 -3.587 1.00 0.00 N ATOM 497 CA SER A 30 19.505 0.414 -2.312 1.00 0.00 C ATOM 498 C SER A 30 18.552 0.527 -1.118 1.00 0.00 C ATOM 499 O SER A 30 18.921 0.272 0.008 1.00 0.00 O ATOM 500 CB SER A 30 20.491 1.583 -2.283 1.00 0.00 C ATOM 501 OG SER A 30 21.136 1.685 -3.546 1.00 0.00 O ATOM 0 H SER A 30 19.062 1.111 -4.283 1.00 0.00 H new ATOM 0 HA SER A 30 20.051 -0.527 -2.252 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.966 2.511 -2.054 1.00 0.00 H new ATOM 0 HB3 SER A 30 21.230 1.431 -1.496 1.00 0.00 H new ATOM 0 HG SER A 30 21.767 2.434 -3.531 1.00 0.00 H new ATOM 507 N GLU A 31 17.320 0.877 -1.366 1.00 0.00 N ATOM 508 CA GLU A 31 16.322 0.983 -0.253 1.00 0.00 C ATOM 509 C GLU A 31 15.493 -0.282 -0.228 1.00 0.00 C ATOM 510 O GLU A 31 15.171 -0.800 0.818 1.00 0.00 O ATOM 511 CB GLU A 31 15.412 2.192 -0.470 1.00 0.00 C ATOM 512 CG GLU A 31 16.266 3.454 -0.599 1.00 0.00 C ATOM 513 CD GLU A 31 15.354 4.666 -0.792 1.00 0.00 C ATOM 514 OE1 GLU A 31 14.215 4.595 -0.364 1.00 0.00 O ATOM 515 OE2 GLU A 31 15.811 5.642 -1.365 1.00 0.00 O ATOM 0 H GLU A 31 16.956 1.096 -2.293 1.00 0.00 H new ATOM 0 HA GLU A 31 16.844 1.110 0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.812 2.052 -1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.718 2.293 0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.879 3.584 0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.948 3.360 -1.444 1.00 0.00 H new ATOM 522 N LEU A 32 15.154 -0.797 -1.366 1.00 0.00 N ATOM 523 CA LEU A 32 14.351 -2.039 -1.384 1.00 0.00 C ATOM 524 C LEU A 32 15.179 -3.167 -0.764 1.00 0.00 C ATOM 525 O LEU A 32 14.813 -3.725 0.246 1.00 0.00 O ATOM 526 CB LEU A 32 13.945 -2.369 -2.844 1.00 0.00 C ATOM 527 CG LEU A 32 12.459 -2.772 -2.922 1.00 0.00 C ATOM 528 CD1 LEU A 32 12.004 -2.838 -4.386 1.00 0.00 C ATOM 529 CD2 LEU A 32 12.271 -4.144 -2.269 1.00 0.00 C ATOM 0 H LEU A 32 15.396 -0.415 -2.280 1.00 0.00 H new ATOM 0 HA LEU A 32 13.438 -1.917 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.125 -1.503 -3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.567 -3.179 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 32 11.860 -2.027 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.953 -3.124 -4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.133 -1.861 -4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.602 -3.576 -4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.221 -4.432 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.877 -4.883 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.581 -4.096 -1.225 1.00 0.00 H new ATOM 541 N LYS A 33 16.296 -3.500 -1.340 1.00 0.00 N ATOM 542 CA LYS A 33 17.122 -4.583 -0.763 1.00 0.00 C ATOM 543 C LYS A 33 17.532 -4.226 0.669 1.00 0.00 C ATOM 544 O LYS A 33 17.627 -5.084 1.524 1.00 0.00 O ATOM 545 CB LYS A 33 18.350 -4.752 -1.642 1.00 0.00 C ATOM 546 CG LYS A 33 19.143 -5.987 -1.216 1.00 0.00 C ATOM 547 CD LYS A 33 20.377 -6.136 -2.125 1.00 0.00 C ATOM 548 CE LYS A 33 21.562 -5.355 -1.541 1.00 0.00 C ATOM 549 NZ LYS A 33 22.612 -5.189 -2.587 1.00 0.00 N ATOM 0 H LYS A 33 16.670 -3.068 -2.185 1.00 0.00 H new ATOM 0 HA LYS A 33 16.558 -5.515 -0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.048 -4.847 -2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.980 -3.865 -1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 33 19.453 -5.894 -0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.517 -6.877 -1.284 1.00 0.00 H new ATOM 0 HD2 LYS A 33 20.640 -7.189 -2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.147 -5.769 -3.125 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.229 -4.379 -1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.971 -5.884 -0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.415 -4.660 -2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 22.937 -6.125 -2.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.217 -4.667 -3.395 1.00 0.00 H new ATOM 563 N GLU A 34 17.782 -2.974 0.943 1.00 0.00 N ATOM 564 CA GLU A 34 18.188 -2.602 2.332 1.00 0.00 C ATOM 565 C GLU A 34 16.961 -2.601 3.236 1.00 0.00 C ATOM 566 O GLU A 34 17.036 -2.926 4.405 1.00 0.00 O ATOM 567 CB GLU A 34 18.829 -1.216 2.347 1.00 0.00 C ATOM 568 CG GLU A 34 19.329 -0.908 3.760 1.00 0.00 C ATOM 569 CD GLU A 34 20.189 0.356 3.732 1.00 0.00 C ATOM 570 OE1 GLU A 34 21.074 0.429 2.897 1.00 0.00 O ATOM 571 OE2 GLU A 34 19.947 1.231 4.548 1.00 0.00 O ATOM 0 H GLU A 34 17.725 -2.202 0.278 1.00 0.00 H new ATOM 0 HA GLU A 34 18.914 -3.330 2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.657 -1.177 1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.105 -0.464 2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.484 -0.771 4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.910 -1.747 4.143 1.00 0.00 H new ATOM 578 N LEU A 35 15.831 -2.241 2.704 1.00 0.00 N ATOM 579 CA LEU A 35 14.595 -2.223 3.529 1.00 0.00 C ATOM 580 C LEU A 35 14.141 -3.665 3.770 1.00 0.00 C ATOM 581 O LEU A 35 13.582 -3.990 4.800 1.00 0.00 O ATOM 582 CB LEU A 35 13.508 -1.445 2.781 1.00 0.00 C ATOM 583 CG LEU A 35 12.178 -1.507 3.548 1.00 0.00 C ATOM 584 CD1 LEU A 35 12.361 -0.974 4.976 1.00 0.00 C ATOM 585 CD2 LEU A 35 11.143 -0.654 2.815 1.00 0.00 C ATOM 0 H LEU A 35 15.709 -1.958 1.732 1.00 0.00 H new ATOM 0 HA LEU A 35 14.784 -1.740 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.815 -0.407 2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.378 -1.860 1.781 1.00 0.00 H new ATOM 0 HG LEU A 35 11.841 -2.542 3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.411 -1.024 5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.101 -1.580 5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.701 0.061 4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.195 -0.691 3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.491 0.378 2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.004 -1.039 1.805 1.00 0.00 H new ATOM 597 N ILE A 36 14.384 -4.531 2.826 1.00 0.00 N ATOM 598 CA ILE A 36 13.976 -5.956 2.984 1.00 0.00 C ATOM 599 C ILE A 36 14.783 -6.592 4.121 1.00 0.00 C ATOM 600 O ILE A 36 14.271 -7.354 4.918 1.00 0.00 O ATOM 601 CB ILE A 36 14.256 -6.705 1.672 1.00 0.00 C ATOM 602 CG1 ILE A 36 13.459 -6.040 0.501 1.00 0.00 C ATOM 603 CG2 ILE A 36 13.877 -8.184 1.844 1.00 0.00 C ATOM 604 CD1 ILE A 36 12.285 -6.908 0.026 1.00 0.00 C ATOM 0 H ILE A 36 14.851 -4.312 1.946 1.00 0.00 H new ATOM 0 HA ILE A 36 12.913 -6.014 3.220 1.00 0.00 H new ATOM 0 HB ILE A 36 15.316 -6.648 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 36 13.082 -5.070 0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.133 -5.856 -0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 36 14.074 -8.720 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.470 -8.620 2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.818 -8.262 2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.764 -6.402 -0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 36 12.662 -7.868 -0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.594 -7.070 0.854 1.00 0.00 H new ATOM 616 N ASN A 37 16.052 -6.302 4.171 1.00 0.00 N ATOM 617 CA ASN A 37 16.931 -6.902 5.220 1.00 0.00 C ATOM 618 C ASN A 37 16.812 -6.165 6.568 1.00 0.00 C ATOM 619 O ASN A 37 17.165 -6.709 7.596 1.00 0.00 O ATOM 620 CB ASN A 37 18.384 -6.841 4.744 1.00 0.00 C ATOM 621 CG ASN A 37 18.554 -7.727 3.508 1.00 0.00 C ATOM 622 OD1 ASN A 37 17.851 -7.567 2.530 1.00 0.00 O ATOM 623 ND2 ASN A 37 19.466 -8.662 3.510 1.00 0.00 N ATOM 0 H ASN A 37 16.525 -5.670 3.526 1.00 0.00 H new ATOM 0 HA ASN A 37 16.613 -7.933 5.375 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.658 -5.813 4.508 1.00 0.00 H new ATOM 0 HB3 ASN A 37 19.052 -7.174 5.538 1.00 0.00 H new ATOM 0 HD21 ASN A 37 19.588 -9.257 2.691 1.00 0.00 H new ATOM 0 HD22 ASN A 37 20.056 -8.797 4.331 1.00 0.00 H new ATOM 630 N ASN A 38 16.377 -4.928 6.585 1.00 0.00 N ATOM 631 CA ASN A 38 16.313 -4.175 7.889 1.00 0.00 C ATOM 632 C ASN A 38 14.930 -4.253 8.554 1.00 0.00 C ATOM 633 O ASN A 38 14.817 -4.074 9.751 1.00 0.00 O ATOM 634 CB ASN A 38 16.650 -2.707 7.627 1.00 0.00 C ATOM 635 CG ASN A 38 18.114 -2.588 7.202 1.00 0.00 C ATOM 636 OD1 ASN A 38 18.856 -3.661 7.147 1.00 0.00 O flip ATOM 637 ND2 ASN A 38 18.590 -1.507 6.916 1.00 0.00 N flip ATOM 0 H ASN A 38 16.066 -4.407 5.765 1.00 0.00 H new ATOM 0 HA ASN A 38 17.030 -4.636 8.568 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.001 -2.307 6.848 1.00 0.00 H new ATOM 0 HB3 ASN A 38 16.472 -2.116 8.525 1.00 0.00 H new ATOM 0 HD21 ASN A 38 18.012 -0.668 6.958 1.00 0.00 H new ATOM 0 HD22 ASN A 38 19.568 -1.439 6.634 1.00 0.00 H new ATOM 644 N GLU A 39 13.883 -4.504 7.812 1.00 0.00 N ATOM 645 CA GLU A 39 12.513 -4.578 8.436 1.00 0.00 C ATOM 646 C GLU A 39 11.805 -5.848 7.987 1.00 0.00 C ATOM 647 O GLU A 39 11.287 -6.596 8.792 1.00 0.00 O ATOM 648 CB GLU A 39 11.688 -3.361 8.012 1.00 0.00 C ATOM 649 CG GLU A 39 12.321 -2.092 8.589 1.00 0.00 C ATOM 650 CD GLU A 39 11.343 -0.922 8.455 1.00 0.00 C ATOM 651 OE1 GLU A 39 10.149 -1.171 8.434 1.00 0.00 O ATOM 652 OE2 GLU A 39 11.806 0.204 8.376 1.00 0.00 O ATOM 0 H GLU A 39 13.909 -4.661 6.805 1.00 0.00 H new ATOM 0 HA GLU A 39 12.618 -4.589 9.521 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.646 -3.297 6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.662 -3.462 8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.578 -2.246 9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.249 -1.865 8.064 1.00 0.00 H new ATOM 659 N LEU A 40 11.772 -6.101 6.713 1.00 0.00 N ATOM 660 CA LEU A 40 11.089 -7.330 6.224 1.00 0.00 C ATOM 661 C LEU A 40 12.066 -8.507 6.338 1.00 0.00 C ATOM 662 O LEU A 40 11.991 -9.460 5.594 1.00 0.00 O ATOM 663 CB LEU A 40 10.641 -7.134 4.757 1.00 0.00 C ATOM 664 CG LEU A 40 10.385 -5.644 4.461 1.00 0.00 C ATOM 665 CD1 LEU A 40 9.933 -5.492 3.007 1.00 0.00 C ATOM 666 CD2 LEU A 40 9.285 -5.099 5.383 1.00 0.00 C ATOM 0 H LEU A 40 12.186 -5.514 5.989 1.00 0.00 H new ATOM 0 HA LEU A 40 10.202 -7.534 6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 40 11.407 -7.517 4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.734 -7.709 4.568 1.00 0.00 H new ATOM 0 HG LEU A 40 11.305 -5.086 4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.750 -4.439 2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.711 -5.869 2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.016 -6.059 2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.115 -4.045 5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.363 -5.658 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.595 -5.207 6.422 1.00 0.00 H new ATOM 678 N SER A 41 12.987 -8.452 7.267 1.00 0.00 N ATOM 679 CA SER A 41 13.960 -9.571 7.416 1.00 0.00 C ATOM 680 C SER A 41 13.333 -10.715 8.222 1.00 0.00 C ATOM 681 O SER A 41 13.819 -11.828 8.205 1.00 0.00 O ATOM 682 CB SER A 41 15.204 -9.062 8.148 1.00 0.00 C ATOM 683 OG SER A 41 15.799 -10.133 8.871 1.00 0.00 O ATOM 0 H SER A 41 13.105 -7.682 7.926 1.00 0.00 H new ATOM 0 HA SER A 41 14.232 -9.940 6.427 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.917 -8.651 7.433 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.934 -8.255 8.829 1.00 0.00 H new ATOM 0 HG SER A 41 16.597 -9.809 9.339 1.00 0.00 H new ATOM 689 N HIS A 42 12.261 -10.457 8.932 1.00 0.00 N ATOM 690 CA HIS A 42 11.613 -11.540 9.738 1.00 0.00 C ATOM 691 C HIS A 42 10.429 -12.118 8.961 1.00 0.00 C ATOM 692 O HIS A 42 9.939 -13.186 9.270 1.00 0.00 O ATOM 693 CB HIS A 42 11.107 -10.957 11.062 1.00 0.00 C ATOM 694 CG HIS A 42 12.271 -10.706 11.980 1.00 0.00 C ATOM 695 ND1 HIS A 42 12.753 -9.429 12.232 1.00 0.00 N ATOM 696 CD2 HIS A 42 13.061 -11.557 12.714 1.00 0.00 C ATOM 697 CE1 HIS A 42 13.789 -9.548 13.084 1.00 0.00 C ATOM 698 NE2 HIS A 42 14.016 -10.822 13.407 1.00 0.00 N ATOM 0 H HIS A 42 11.807 -9.545 8.988 1.00 0.00 H new ATOM 0 HA HIS A 42 12.341 -12.327 9.936 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.568 -10.027 10.879 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.404 -11.646 11.530 1.00 0.00 H new ATOM 0 HD2 HIS A 42 12.956 -12.631 12.748 1.00 0.00 H new ATOM 0 HE1 HIS A 42 14.365 -8.715 13.459 1.00 0.00 H new ATOM 0 HE2 HIS A 42 14.738 -11.181 14.031 1.00 0.00 H new ATOM 707 N PHE A 43 9.968 -11.417 7.955 1.00 0.00 N ATOM 708 CA PHE A 43 8.809 -11.909 7.144 1.00 0.00 C ATOM 709 C PHE A 43 9.287 -12.258 5.733 1.00 0.00 C ATOM 710 O PHE A 43 8.790 -13.177 5.112 1.00 0.00 O ATOM 711 CB PHE A 43 7.745 -10.809 7.070 1.00 0.00 C ATOM 712 CG PHE A 43 7.052 -10.696 8.410 1.00 0.00 C ATOM 713 CD1 PHE A 43 7.737 -10.162 9.509 1.00 0.00 C ATOM 714 CD2 PHE A 43 5.726 -11.128 8.556 1.00 0.00 C ATOM 715 CE1 PHE A 43 7.099 -10.059 10.752 1.00 0.00 C ATOM 716 CE2 PHE A 43 5.088 -11.024 9.799 1.00 0.00 C ATOM 717 CZ PHE A 43 5.775 -10.490 10.896 1.00 0.00 C ATOM 0 H PHE A 43 10.347 -10.518 7.658 1.00 0.00 H new ATOM 0 HA PHE A 43 8.383 -12.798 7.610 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.206 -9.858 6.804 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.019 -11.040 6.290 1.00 0.00 H new ATOM 0 HD1 PHE A 43 8.758 -9.829 9.398 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.196 -11.541 7.710 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.628 -9.647 11.599 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.066 -11.356 9.911 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.283 -10.411 11.854 1.00 0.00 H new ATOM 727 N LEU A 44 10.256 -11.536 5.225 1.00 0.00 N ATOM 728 CA LEU A 44 10.786 -11.822 3.852 1.00 0.00 C ATOM 729 C LEU A 44 12.137 -12.542 3.993 1.00 0.00 C ATOM 730 O LEU A 44 12.991 -12.130 4.752 1.00 0.00 O ATOM 731 CB LEU A 44 10.962 -10.480 3.092 1.00 0.00 C ATOM 732 CG LEU A 44 10.111 -10.433 1.804 1.00 0.00 C ATOM 733 CD1 LEU A 44 10.585 -11.500 0.803 1.00 0.00 C ATOM 734 CD2 LEU A 44 8.620 -10.638 2.139 1.00 0.00 C ATOM 0 H LEU A 44 10.706 -10.756 5.704 1.00 0.00 H new ATOM 0 HA LEU A 44 10.097 -12.455 3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.680 -9.653 3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.013 -10.341 2.838 1.00 0.00 H new ATOM 0 HG LEU A 44 10.234 -9.452 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.973 -11.451 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.628 -11.318 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.490 -12.488 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.033 -10.602 1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.485 -11.607 2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.287 -9.849 2.814 1.00 0.00 H new ATOM 746 N GLU A 45 12.334 -13.611 3.270 1.00 0.00 N ATOM 747 CA GLU A 45 13.628 -14.347 3.370 1.00 0.00 C ATOM 748 C GLU A 45 14.783 -13.356 3.227 1.00 0.00 C ATOM 749 O GLU A 45 14.766 -12.490 2.376 1.00 0.00 O ATOM 750 CB GLU A 45 13.711 -15.389 2.251 1.00 0.00 C ATOM 751 CG GLU A 45 12.806 -16.576 2.585 1.00 0.00 C ATOM 752 CD GLU A 45 11.346 -16.121 2.575 1.00 0.00 C ATOM 753 OE1 GLU A 45 11.035 -15.214 1.821 1.00 0.00 O ATOM 754 OE2 GLU A 45 10.565 -16.687 3.321 1.00 0.00 O ATOM 0 H GLU A 45 11.658 -14.006 2.616 1.00 0.00 H new ATOM 0 HA GLU A 45 13.690 -14.847 4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.409 -14.944 1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.740 -15.727 2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.954 -17.376 1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.065 -16.981 3.563 1.00 0.00 H new ATOM 761 N GLU A 46 15.783 -13.471 4.059 1.00 0.00 N ATOM 762 CA GLU A 46 16.940 -12.533 3.978 1.00 0.00 C ATOM 763 C GLU A 46 17.395 -12.397 2.521 1.00 0.00 C ATOM 764 O GLU A 46 18.235 -13.138 2.052 1.00 0.00 O ATOM 765 CB GLU A 46 18.095 -13.073 4.832 1.00 0.00 C ATOM 766 CG GLU A 46 18.175 -14.596 4.682 1.00 0.00 C ATOM 767 CD GLU A 46 19.539 -15.088 5.169 1.00 0.00 C ATOM 768 OE1 GLU A 46 20.456 -15.122 4.365 1.00 0.00 O ATOM 769 OE2 GLU A 46 19.644 -15.422 6.337 1.00 0.00 O ATOM 0 H GLU A 46 15.849 -14.176 4.793 1.00 0.00 H new ATOM 0 HA GLU A 46 16.639 -11.554 4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 46 19.035 -12.617 4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.942 -12.808 5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.379 -15.071 5.257 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.027 -14.877 3.639 1.00 0.00 H new ATOM 776 N ILE A 47 16.850 -11.451 1.805 1.00 0.00 N ATOM 777 CA ILE A 47 17.259 -11.267 0.386 1.00 0.00 C ATOM 778 C ILE A 47 18.694 -10.734 0.360 1.00 0.00 C ATOM 779 O ILE A 47 18.997 -9.711 0.940 1.00 0.00 O ATOM 780 CB ILE A 47 16.285 -10.278 -0.292 1.00 0.00 C ATOM 781 CG1 ILE A 47 14.974 -11.022 -0.618 1.00 0.00 C ATOM 782 CG2 ILE A 47 16.891 -9.704 -1.585 1.00 0.00 C ATOM 783 CD1 ILE A 47 13.960 -10.095 -1.313 1.00 0.00 C ATOM 0 H ILE A 47 16.141 -10.800 2.142 1.00 0.00 H new ATOM 0 HA ILE A 47 17.224 -12.211 -0.157 1.00 0.00 H new ATOM 0 HB ILE A 47 16.092 -9.447 0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.189 -11.876 -1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.539 -11.416 0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 47 16.184 -9.011 -2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 47 17.816 -9.177 -1.351 1.00 0.00 H new ATOM 0 HG23 ILE A 47 17.102 -10.517 -2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 47 13.047 -10.651 -1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 47 13.727 -9.255 -0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.387 -9.722 -2.244 1.00 0.00 H new ATOM 795 N LYS A 48 19.576 -11.427 -0.319 1.00 0.00 N ATOM 796 CA LYS A 48 21.004 -10.983 -0.409 1.00 0.00 C ATOM 797 C LYS A 48 21.350 -10.755 -1.876 1.00 0.00 C ATOM 798 O LYS A 48 22.336 -10.124 -2.204 1.00 0.00 O ATOM 799 CB LYS A 48 21.916 -12.069 0.167 1.00 0.00 C ATOM 800 CG LYS A 48 21.499 -13.436 -0.379 1.00 0.00 C ATOM 801 CD LYS A 48 22.466 -14.503 0.140 1.00 0.00 C ATOM 802 CE LYS A 48 22.045 -15.875 -0.390 1.00 0.00 C ATOM 803 NZ LYS A 48 20.831 -16.336 0.341 1.00 0.00 N ATOM 0 H LYS A 48 19.366 -12.290 -0.820 1.00 0.00 H new ATOM 0 HA LYS A 48 21.144 -10.062 0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.954 -11.863 -0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.856 -12.068 1.255 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.481 -13.669 -0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.505 -13.423 -1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 48 23.483 -14.274 -0.180 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.468 -14.508 1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.839 -15.817 -1.459 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.856 -16.592 -0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.661 -17.341 0.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.974 -16.213 1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.009 -15.776 0.037 1.00 0.00 H new ATOM 817 N GLU A 49 20.526 -11.252 -2.763 1.00 0.00 N ATOM 818 CA GLU A 49 20.766 -11.062 -4.226 1.00 0.00 C ATOM 819 C GLU A 49 19.767 -10.026 -4.742 1.00 0.00 C ATOM 820 O GLU A 49 18.614 -10.021 -4.362 1.00 0.00 O ATOM 821 CB GLU A 49 20.550 -12.396 -4.959 1.00 0.00 C ATOM 822 CG GLU A 49 21.830 -13.237 -4.898 1.00 0.00 C ATOM 823 CD GLU A 49 22.896 -12.607 -5.797 1.00 0.00 C ATOM 824 OE1 GLU A 49 22.884 -12.891 -6.983 1.00 0.00 O ATOM 825 OE2 GLU A 49 23.704 -11.850 -5.284 1.00 0.00 O ATOM 0 H GLU A 49 19.688 -11.787 -2.534 1.00 0.00 H new ATOM 0 HA GLU A 49 21.787 -10.723 -4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.724 -12.942 -4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 49 20.275 -12.210 -5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.192 -13.294 -3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.623 -14.257 -5.221 1.00 0.00 H new ATOM 832 N GLN A 50 20.198 -9.148 -5.598 1.00 0.00 N ATOM 833 CA GLN A 50 19.269 -8.115 -6.130 1.00 0.00 C ATOM 834 C GLN A 50 18.407 -8.725 -7.236 1.00 0.00 C ATOM 835 O GLN A 50 17.339 -8.239 -7.546 1.00 0.00 O ATOM 836 CB GLN A 50 20.083 -6.953 -6.703 1.00 0.00 C ATOM 837 CG GLN A 50 21.228 -7.507 -7.557 1.00 0.00 C ATOM 838 CD GLN A 50 21.850 -6.379 -8.379 1.00 0.00 C ATOM 839 OE1 GLN A 50 22.408 -5.448 -7.832 1.00 0.00 O ATOM 840 NE2 GLN A 50 21.779 -6.422 -9.682 1.00 0.00 N ATOM 0 H GLN A 50 21.153 -9.099 -5.953 1.00 0.00 H new ATOM 0 HA GLN A 50 18.626 -7.753 -5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 50 19.443 -6.309 -7.306 1.00 0.00 H new ATOM 0 HB3 GLN A 50 20.481 -6.340 -5.895 1.00 0.00 H new ATOM 0 HG2 GLN A 50 21.984 -7.963 -6.917 1.00 0.00 H new ATOM 0 HG3 GLN A 50 20.856 -8.289 -8.218 1.00 0.00 H new ATOM 0 HE21 GLN A 50 21.311 -7.203 -10.142 1.00 0.00 H new ATOM 0 HE22 GLN A 50 22.192 -5.675 -10.240 1.00 0.00 H new ATOM 849 N GLU A 51 18.875 -9.774 -7.851 1.00 0.00 N ATOM 850 CA GLU A 51 18.105 -10.402 -8.955 1.00 0.00 C ATOM 851 C GLU A 51 16.637 -10.543 -8.585 1.00 0.00 C ATOM 852 O GLU A 51 15.768 -10.331 -9.408 1.00 0.00 O ATOM 853 CB GLU A 51 18.694 -11.776 -9.280 1.00 0.00 C ATOM 854 CG GLU A 51 20.049 -11.598 -9.970 1.00 0.00 C ATOM 855 CD GLU A 51 20.751 -12.953 -10.074 1.00 0.00 C ATOM 856 OE1 GLU A 51 20.286 -13.890 -9.445 1.00 0.00 O ATOM 857 OE2 GLU A 51 21.741 -13.031 -10.783 1.00 0.00 O ATOM 0 H GLU A 51 19.764 -10.225 -7.634 1.00 0.00 H new ATOM 0 HA GLU A 51 18.175 -9.759 -9.832 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.812 -12.358 -8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.015 -12.332 -9.926 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.910 -11.171 -10.963 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.667 -10.899 -9.407 1.00 0.00 H new ATOM 864 N VAL A 52 16.330 -10.870 -7.366 1.00 0.00 N ATOM 865 CA VAL A 52 14.897 -10.980 -6.999 1.00 0.00 C ATOM 866 C VAL A 52 14.349 -9.574 -6.877 1.00 0.00 C ATOM 867 O VAL A 52 13.238 -9.288 -7.278 1.00 0.00 O ATOM 868 CB VAL A 52 14.742 -11.722 -5.668 1.00 0.00 C ATOM 869 CG1 VAL A 52 15.408 -13.095 -5.760 1.00 0.00 C ATOM 870 CG2 VAL A 52 15.408 -10.911 -4.555 1.00 0.00 C ATOM 0 H VAL A 52 16.997 -11.063 -6.619 1.00 0.00 H new ATOM 0 HA VAL A 52 14.353 -11.541 -7.759 1.00 0.00 H new ATOM 0 HB VAL A 52 13.682 -11.849 -5.448 1.00 0.00 H new ATOM 0 HG11 VAL A 52 15.295 -13.619 -4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.937 -13.676 -6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.468 -12.971 -5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.299 -11.437 -3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.467 -10.785 -4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.933 -9.932 -4.484 1.00 0.00 H new ATOM 880 N VAL A 53 15.129 -8.686 -6.345 1.00 0.00 N ATOM 881 CA VAL A 53 14.662 -7.287 -6.221 1.00 0.00 C ATOM 882 C VAL A 53 14.455 -6.774 -7.641 1.00 0.00 C ATOM 883 O VAL A 53 13.669 -5.884 -7.891 1.00 0.00 O ATOM 884 CB VAL A 53 15.711 -6.460 -5.417 1.00 0.00 C ATOM 885 CG1 VAL A 53 16.488 -5.477 -6.304 1.00 0.00 C ATOM 886 CG2 VAL A 53 15.021 -5.668 -4.300 1.00 0.00 C ATOM 0 H VAL A 53 16.068 -8.868 -5.991 1.00 0.00 H new ATOM 0 HA VAL A 53 13.725 -7.201 -5.671 1.00 0.00 H new ATOM 0 HB VAL A 53 16.417 -7.177 -4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 53 17.205 -4.926 -5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 53 17.019 -6.029 -7.080 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.793 -4.777 -6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.765 -5.095 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.289 -4.987 -4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.517 -6.358 -3.623 1.00 0.00 H new ATOM 896 N ASP A 54 15.148 -7.361 -8.578 1.00 0.00 N ATOM 897 CA ASP A 54 14.983 -6.937 -9.989 1.00 0.00 C ATOM 898 C ASP A 54 13.692 -7.554 -10.514 1.00 0.00 C ATOM 899 O ASP A 54 12.971 -6.958 -11.286 1.00 0.00 O ATOM 900 CB ASP A 54 16.168 -7.432 -10.822 1.00 0.00 C ATOM 901 CG ASP A 54 16.094 -6.827 -12.226 1.00 0.00 C ATOM 902 OD1 ASP A 54 15.014 -6.826 -12.794 1.00 0.00 O ATOM 903 OD2 ASP A 54 17.119 -6.376 -12.709 1.00 0.00 O ATOM 0 H ASP A 54 15.819 -8.114 -8.424 1.00 0.00 H new ATOM 0 HA ASP A 54 14.942 -5.850 -10.057 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.106 -7.151 -10.343 1.00 0.00 H new ATOM 0 HB3 ASP A 54 16.154 -8.520 -10.882 1.00 0.00 H new ATOM 908 N LYS A 55 13.390 -8.750 -10.083 1.00 0.00 N ATOM 909 CA LYS A 55 12.135 -9.413 -10.541 1.00 0.00 C ATOM 910 C LYS A 55 10.940 -8.813 -9.796 1.00 0.00 C ATOM 911 O LYS A 55 9.962 -8.413 -10.392 1.00 0.00 O ATOM 912 CB LYS A 55 12.210 -10.917 -10.252 1.00 0.00 C ATOM 913 CG LYS A 55 10.960 -11.643 -10.831 1.00 0.00 C ATOM 914 CD LYS A 55 10.344 -12.587 -9.783 1.00 0.00 C ATOM 915 CE LYS A 55 9.500 -11.786 -8.785 1.00 0.00 C ATOM 916 NZ LYS A 55 8.462 -11.008 -9.518 1.00 0.00 N ATOM 0 H LYS A 55 13.958 -9.296 -9.434 1.00 0.00 H new ATOM 0 HA LYS A 55 12.015 -9.255 -11.613 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.116 -11.334 -10.691 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.271 -11.085 -9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.219 -10.908 -11.145 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.241 -12.211 -11.718 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.725 -13.336 -10.276 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.133 -13.123 -9.256 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.027 -12.460 -8.071 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.138 -11.112 -8.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.568 -11.035 -8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.775 -10.021 -9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.317 -11.424 -10.460 1.00 0.00 H new ATOM 930 N VAL A 56 11.003 -8.735 -8.496 1.00 0.00 N ATOM 931 CA VAL A 56 9.864 -8.147 -7.741 1.00 0.00 C ATOM 932 C VAL A 56 9.562 -6.769 -8.337 1.00 0.00 C ATOM 933 O VAL A 56 8.422 -6.389 -8.518 1.00 0.00 O ATOM 934 CB VAL A 56 10.247 -8.052 -6.244 1.00 0.00 C ATOM 935 CG1 VAL A 56 11.022 -6.760 -5.956 1.00 0.00 C ATOM 936 CG2 VAL A 56 8.987 -8.078 -5.377 1.00 0.00 C ATOM 0 H VAL A 56 11.789 -9.051 -7.928 1.00 0.00 H new ATOM 0 HA VAL A 56 8.971 -8.767 -7.818 1.00 0.00 H new ATOM 0 HB VAL A 56 10.880 -8.907 -6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.279 -6.718 -4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.935 -6.743 -6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.404 -5.900 -6.214 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.267 -8.011 -4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.349 -7.234 -5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.446 -9.008 -5.549 1.00 0.00 H new ATOM 946 N MET A 57 10.590 -6.029 -8.654 1.00 0.00 N ATOM 947 CA MET A 57 10.388 -4.681 -9.254 1.00 0.00 C ATOM 948 C MET A 57 9.724 -4.825 -10.626 1.00 0.00 C ATOM 949 O MET A 57 8.937 -3.995 -11.035 1.00 0.00 O ATOM 950 CB MET A 57 11.746 -3.992 -9.413 1.00 0.00 C ATOM 951 CG MET A 57 12.308 -3.604 -8.036 1.00 0.00 C ATOM 952 SD MET A 57 11.695 -1.962 -7.572 1.00 0.00 S ATOM 953 CE MET A 57 13.218 -1.041 -7.901 1.00 0.00 C ATOM 0 H MET A 57 11.564 -6.302 -8.522 1.00 0.00 H new ATOM 0 HA MET A 57 9.748 -4.084 -8.605 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.442 -4.657 -9.924 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.640 -3.103 -10.035 1.00 0.00 H new ATOM 0 HG2 MET A 57 12.009 -4.340 -7.289 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.398 -3.602 -8.064 1.00 0.00 H new ATOM 0 HE1 MET A 57 13.023 0.028 -7.815 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.981 -1.330 -7.178 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.569 -1.266 -8.908 1.00 0.00 H new ATOM 963 N GLU A 58 10.032 -5.875 -11.343 1.00 0.00 N ATOM 964 CA GLU A 58 9.413 -6.065 -12.689 1.00 0.00 C ATOM 965 C GLU A 58 7.910 -6.254 -12.524 1.00 0.00 C ATOM 966 O GLU A 58 7.123 -5.799 -13.330 1.00 0.00 O ATOM 967 CB GLU A 58 10.016 -7.300 -13.378 1.00 0.00 C ATOM 968 CG GLU A 58 11.400 -6.958 -13.951 1.00 0.00 C ATOM 969 CD GLU A 58 11.248 -6.268 -15.310 1.00 0.00 C ATOM 970 OE1 GLU A 58 10.486 -6.765 -16.122 1.00 0.00 O ATOM 971 OE2 GLU A 58 11.899 -5.257 -15.515 1.00 0.00 O ATOM 0 H GLU A 58 10.683 -6.606 -11.056 1.00 0.00 H new ATOM 0 HA GLU A 58 9.610 -5.187 -13.305 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.101 -8.120 -12.664 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.356 -7.640 -14.177 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.938 -6.307 -13.261 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.993 -7.866 -14.059 1.00 0.00 H new ATOM 978 N THR A 59 7.504 -6.923 -11.485 1.00 0.00 N ATOM 979 CA THR A 59 6.048 -7.139 -11.268 1.00 0.00 C ATOM 980 C THR A 59 5.434 -5.889 -10.645 1.00 0.00 C ATOM 981 O THR A 59 4.275 -5.589 -10.856 1.00 0.00 O ATOM 982 CB THR A 59 5.829 -8.321 -10.322 1.00 0.00 C ATOM 983 OG1 THR A 59 6.355 -9.502 -10.913 1.00 0.00 O ATOM 984 CG2 THR A 59 4.329 -8.491 -10.073 1.00 0.00 C ATOM 0 H THR A 59 8.115 -7.330 -10.777 1.00 0.00 H new ATOM 0 HA THR A 59 5.576 -7.348 -12.228 1.00 0.00 H new ATOM 0 HB THR A 59 6.337 -8.137 -9.375 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.079 -10.282 -10.387 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.165 -9.332 -9.399 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.930 -7.582 -9.623 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.822 -8.680 -11.019 1.00 0.00 H new ATOM 992 N LEU A 60 6.189 -5.166 -9.859 1.00 0.00 N ATOM 993 CA LEU A 60 5.621 -3.945 -9.204 1.00 0.00 C ATOM 994 C LEU A 60 5.849 -2.702 -10.067 1.00 0.00 C ATOM 995 O LEU A 60 4.959 -1.889 -10.219 1.00 0.00 O ATOM 996 CB LEU A 60 6.286 -3.748 -7.829 1.00 0.00 C ATOM 997 CG LEU A 60 5.486 -4.461 -6.727 1.00 0.00 C ATOM 998 CD1 LEU A 60 4.080 -3.830 -6.569 1.00 0.00 C ATOM 999 CD2 LEU A 60 5.364 -5.955 -7.061 1.00 0.00 C ATOM 0 H LEU A 60 7.166 -5.364 -9.642 1.00 0.00 H new ATOM 0 HA LEU A 60 4.547 -4.085 -9.083 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.304 -4.136 -7.854 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.356 -2.684 -7.603 1.00 0.00 H new ATOM 0 HG LEU A 60 6.016 -4.346 -5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.533 -4.352 -5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.181 -2.778 -6.303 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.535 -3.916 -7.509 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.796 -6.458 -6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.850 -6.074 -8.015 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.359 -6.395 -7.128 1.00 0.00 H new ATOM 1011 N ASP A 61 7.009 -2.521 -10.630 1.00 0.00 N ATOM 1012 CA ASP A 61 7.231 -1.302 -11.462 1.00 0.00 C ATOM 1013 C ASP A 61 6.173 -1.214 -12.548 1.00 0.00 C ATOM 1014 O ASP A 61 6.136 -1.997 -13.475 1.00 0.00 O ATOM 1015 CB ASP A 61 8.611 -1.356 -12.097 1.00 0.00 C ATOM 1016 CG ASP A 61 9.674 -1.421 -11.002 1.00 0.00 C ATOM 1017 OD1 ASP A 61 9.302 -1.552 -9.848 1.00 0.00 O ATOM 1018 OD2 ASP A 61 10.845 -1.333 -11.336 1.00 0.00 O ATOM 0 H ASP A 61 7.805 -3.154 -10.554 1.00 0.00 H new ATOM 0 HA ASP A 61 7.162 -0.421 -10.824 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.690 -2.227 -12.747 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.770 -0.477 -12.721 1.00 0.00 H new ATOM 1023 N GLU A 62 5.315 -0.243 -12.432 1.00 0.00 N ATOM 1024 CA GLU A 62 4.244 -0.057 -13.443 1.00 0.00 C ATOM 1025 C GLU A 62 4.800 0.798 -14.568 1.00 0.00 C ATOM 1026 O GLU A 62 4.605 0.521 -15.735 1.00 0.00 O ATOM 1027 CB GLU A 62 3.045 0.642 -12.797 1.00 0.00 C ATOM 1028 CG GLU A 62 1.883 0.716 -13.795 1.00 0.00 C ATOM 1029 CD GLU A 62 2.140 1.836 -14.807 1.00 0.00 C ATOM 1030 OE1 GLU A 62 2.030 2.989 -14.425 1.00 0.00 O ATOM 1031 OE2 GLU A 62 2.445 1.519 -15.945 1.00 0.00 O ATOM 0 H GLU A 62 5.311 0.437 -11.671 1.00 0.00 H new ATOM 0 HA GLU A 62 3.916 -1.021 -13.833 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.735 0.099 -11.904 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.327 1.646 -12.478 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.775 -0.237 -14.313 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.948 0.899 -13.266 1.00 0.00 H new ATOM 1038 N ASP A 63 5.516 1.825 -14.224 1.00 0.00 N ATOM 1039 CA ASP A 63 6.115 2.689 -15.265 1.00 0.00 C ATOM 1040 C ASP A 63 7.416 2.039 -15.726 1.00 0.00 C ATOM 1041 O ASP A 63 8.100 2.545 -16.594 1.00 0.00 O ATOM 1042 CB ASP A 63 6.410 4.071 -14.673 1.00 0.00 C ATOM 1043 CG ASP A 63 6.954 3.911 -13.252 1.00 0.00 C ATOM 1044 OD1 ASP A 63 7.461 2.841 -12.946 1.00 0.00 O ATOM 1045 OD2 ASP A 63 6.856 4.859 -12.492 1.00 0.00 O ATOM 0 H ASP A 63 5.712 2.103 -13.262 1.00 0.00 H new ATOM 0 HA ASP A 63 5.431 2.804 -16.106 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.135 4.597 -15.294 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.502 4.675 -14.661 1.00 0.00 H new ATOM 1050 N GLY A 64 7.779 0.921 -15.140 1.00 0.00 N ATOM 1051 CA GLY A 64 9.051 0.269 -15.551 1.00 0.00 C ATOM 1052 C GLY A 64 10.166 1.286 -15.363 1.00 0.00 C ATOM 1053 O GLY A 64 11.034 1.447 -16.199 1.00 0.00 O ATOM 0 H GLY A 64 7.255 0.443 -14.407 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.238 -0.621 -14.950 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.998 -0.054 -16.591 1.00 0.00 H new ATOM 1057 N ASP A 65 10.131 1.993 -14.265 1.00 0.00 N ATOM 1058 CA ASP A 65 11.170 3.035 -14.005 1.00 0.00 C ATOM 1059 C ASP A 65 12.313 2.434 -13.195 1.00 0.00 C ATOM 1060 O ASP A 65 13.308 3.082 -12.937 1.00 0.00 O ATOM 1061 CB ASP A 65 10.544 4.185 -13.214 1.00 0.00 C ATOM 1062 CG ASP A 65 9.900 3.633 -11.941 1.00 0.00 C ATOM 1063 OD1 ASP A 65 9.941 2.429 -11.754 1.00 0.00 O ATOM 1064 OD2 ASP A 65 9.377 4.426 -11.174 1.00 0.00 O ATOM 0 H ASP A 65 9.426 1.894 -13.534 1.00 0.00 H new ATOM 0 HA ASP A 65 11.556 3.404 -14.955 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.305 4.923 -12.960 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.796 4.695 -13.822 1.00 0.00 H new ATOM 1069 N GLY A 66 12.182 1.208 -12.777 1.00 0.00 N ATOM 1070 CA GLY A 66 13.270 0.591 -11.970 1.00 0.00 C ATOM 1071 C GLY A 66 13.251 1.223 -10.581 1.00 0.00 C ATOM 1072 O GLY A 66 14.044 0.898 -9.721 1.00 0.00 O ATOM 0 H GLY A 66 11.376 0.610 -12.957 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.126 -0.487 -11.899 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.236 0.753 -12.448 1.00 0.00 H new ATOM 1076 N GLU A 67 12.328 2.123 -10.364 1.00 0.00 N ATOM 1077 CA GLU A 67 12.197 2.801 -9.039 1.00 0.00 C ATOM 1078 C GLU A 67 10.747 2.652 -8.589 1.00 0.00 C ATOM 1079 O GLU A 67 9.889 2.320 -9.384 1.00 0.00 O ATOM 1080 CB GLU A 67 12.542 4.283 -9.182 1.00 0.00 C ATOM 1081 CG GLU A 67 13.979 4.426 -9.684 1.00 0.00 C ATOM 1082 CD GLU A 67 14.346 5.908 -9.768 1.00 0.00 C ATOM 1083 OE1 GLU A 67 13.534 6.723 -9.361 1.00 0.00 O ATOM 1084 OE2 GLU A 67 15.431 6.205 -10.239 1.00 0.00 O ATOM 0 H GLU A 67 11.647 2.422 -11.062 1.00 0.00 H new ATOM 0 HA GLU A 67 12.875 2.356 -8.310 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.853 4.762 -9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.429 4.788 -8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.663 3.909 -9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.081 3.959 -10.664 1.00 0.00 H new ATOM 1091 N CYS A 68 10.462 2.865 -7.327 1.00 0.00 N ATOM 1092 CA CYS A 68 9.053 2.702 -6.840 1.00 0.00 C ATOM 1093 C CYS A 68 8.562 3.944 -6.086 1.00 0.00 C ATOM 1094 O CYS A 68 8.896 4.170 -4.931 1.00 0.00 O ATOM 1095 CB CYS A 68 8.980 1.487 -5.916 1.00 0.00 C ATOM 1096 SG CYS A 68 9.295 -0.018 -6.870 1.00 0.00 S ATOM 0 H CYS A 68 11.138 3.143 -6.616 1.00 0.00 H new ATOM 0 HA CYS A 68 8.409 2.563 -7.709 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.713 1.582 -5.115 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.998 1.433 -5.446 1.00 0.00 H new ATOM 0 HG CYS A 68 8.283 -0.258 -7.649 1.00 0.00 H new ATOM 1102 N ASP A 69 7.777 4.755 -6.750 1.00 0.00 N ATOM 1103 CA ASP A 69 7.234 5.979 -6.100 1.00 0.00 C ATOM 1104 C ASP A 69 6.494 5.554 -4.830 1.00 0.00 C ATOM 1105 O ASP A 69 6.600 4.427 -4.407 1.00 0.00 O ATOM 1106 CB ASP A 69 6.270 6.685 -7.064 1.00 0.00 C ATOM 1107 CG ASP A 69 6.079 8.140 -6.630 1.00 0.00 C ATOM 1108 OD1 ASP A 69 5.369 8.362 -5.665 1.00 0.00 O ATOM 1109 OD2 ASP A 69 6.648 9.009 -7.272 1.00 0.00 O ATOM 0 H ASP A 69 7.490 4.618 -7.719 1.00 0.00 H new ATOM 0 HA ASP A 69 8.039 6.669 -5.847 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.664 6.647 -8.080 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.310 6.170 -7.075 1.00 0.00 H new ATOM 1114 N PHE A 70 5.759 6.438 -4.213 1.00 0.00 N ATOM 1115 CA PHE A 70 5.034 6.064 -2.957 1.00 0.00 C ATOM 1116 C PHE A 70 3.752 5.268 -3.277 1.00 0.00 C ATOM 1117 O PHE A 70 3.336 4.419 -2.514 1.00 0.00 O ATOM 1118 CB PHE A 70 4.677 7.345 -2.159 1.00 0.00 C ATOM 1119 CG PHE A 70 4.794 8.570 -3.042 1.00 0.00 C ATOM 1120 CD1 PHE A 70 6.015 9.251 -3.130 1.00 0.00 C ATOM 1121 CD2 PHE A 70 3.687 9.024 -3.769 1.00 0.00 C ATOM 1122 CE1 PHE A 70 6.128 10.385 -3.945 1.00 0.00 C ATOM 1123 CE2 PHE A 70 3.800 10.158 -4.584 1.00 0.00 C ATOM 1124 CZ PHE A 70 5.020 10.838 -4.671 1.00 0.00 C ATOM 0 H PHE A 70 5.627 7.402 -4.520 1.00 0.00 H new ATOM 0 HA PHE A 70 5.687 5.431 -2.356 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.662 7.266 -1.769 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.342 7.443 -1.301 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.870 8.902 -2.569 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.745 8.500 -3.702 1.00 0.00 H new ATOM 0 HE1 PHE A 70 7.070 10.910 -4.013 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.946 10.507 -5.145 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.107 11.713 -5.299 1.00 0.00 H new ATOM 1134 N GLN A 71 3.117 5.554 -4.376 1.00 0.00 N ATOM 1135 CA GLN A 71 1.855 4.843 -4.726 1.00 0.00 C ATOM 1136 C GLN A 71 2.150 3.382 -5.077 1.00 0.00 C ATOM 1137 O GLN A 71 1.411 2.476 -4.729 1.00 0.00 O ATOM 1138 CB GLN A 71 1.204 5.545 -5.927 1.00 0.00 C ATOM 1139 CG GLN A 71 -0.084 4.822 -6.302 1.00 0.00 C ATOM 1140 CD GLN A 71 -0.900 5.696 -7.261 1.00 0.00 C ATOM 1141 OE1 GLN A 71 -1.275 6.801 -6.921 1.00 0.00 O ATOM 1142 NE2 GLN A 71 -1.192 5.246 -8.450 1.00 0.00 N ATOM 0 H GLN A 71 3.419 6.255 -5.053 1.00 0.00 H new ATOM 0 HA GLN A 71 1.178 4.865 -3.872 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.991 6.586 -5.682 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.890 5.551 -6.774 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.147 3.866 -6.772 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.666 4.605 -5.406 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.877 4.319 -8.736 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.735 5.821 -9.094 1.00 0.00 H new ATOM 1151 N GLU A 72 3.231 3.145 -5.755 1.00 0.00 N ATOM 1152 CA GLU A 72 3.598 1.755 -6.141 1.00 0.00 C ATOM 1153 C GLU A 72 4.430 1.119 -5.022 1.00 0.00 C ATOM 1154 O GLU A 72 4.281 -0.047 -4.718 1.00 0.00 O ATOM 1155 CB GLU A 72 4.399 1.845 -7.450 1.00 0.00 C ATOM 1156 CG GLU A 72 4.922 0.469 -7.916 1.00 0.00 C ATOM 1157 CD GLU A 72 6.176 0.668 -8.770 1.00 0.00 C ATOM 1158 OE1 GLU A 72 6.132 1.495 -9.666 1.00 0.00 O ATOM 1159 OE2 GLU A 72 7.155 -0.012 -8.517 1.00 0.00 O ATOM 0 H GLU A 72 3.887 3.863 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 72 2.716 1.132 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.769 2.274 -8.229 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.241 2.523 -7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.151 -0.157 -7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.155 -0.049 -8.491 1.00 0.00 H new ATOM 1166 N PHE A 73 5.305 1.862 -4.412 1.00 0.00 N ATOM 1167 CA PHE A 73 6.135 1.275 -3.324 1.00 0.00 C ATOM 1168 C PHE A 73 5.221 0.637 -2.288 1.00 0.00 C ATOM 1169 O PHE A 73 5.464 -0.450 -1.813 1.00 0.00 O ATOM 1170 CB PHE A 73 6.979 2.378 -2.678 1.00 0.00 C ATOM 1171 CG PHE A 73 7.602 1.924 -1.372 1.00 0.00 C ATOM 1172 CD1 PHE A 73 7.960 0.581 -1.149 1.00 0.00 C ATOM 1173 CD2 PHE A 73 7.839 2.878 -0.374 1.00 0.00 C ATOM 1174 CE1 PHE A 73 8.551 0.210 0.064 1.00 0.00 C ATOM 1175 CE2 PHE A 73 8.425 2.500 0.835 1.00 0.00 C ATOM 1176 CZ PHE A 73 8.780 1.171 1.053 1.00 0.00 C ATOM 0 H PHE A 73 5.483 2.845 -4.616 1.00 0.00 H new ATOM 0 HA PHE A 73 6.800 0.514 -3.731 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.765 2.684 -3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.355 3.253 -2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.779 -0.161 -1.912 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.567 3.910 -0.541 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.830 -0.819 0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.603 3.239 1.602 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.234 0.882 1.989 1.00 0.00 H new ATOM 1186 N MET A 74 4.155 1.282 -1.945 1.00 0.00 N ATOM 1187 CA MET A 74 3.239 0.663 -0.965 1.00 0.00 C ATOM 1188 C MET A 74 2.710 -0.608 -1.618 1.00 0.00 C ATOM 1189 O MET A 74 2.591 -1.644 -0.994 1.00 0.00 O ATOM 1190 CB MET A 74 2.094 1.653 -0.648 1.00 0.00 C ATOM 1191 CG MET A 74 2.104 2.072 0.834 1.00 0.00 C ATOM 1192 SD MET A 74 1.281 0.796 1.827 1.00 0.00 S ATOM 1193 CE MET A 74 0.064 1.850 2.665 1.00 0.00 C ATOM 0 H MET A 74 3.879 2.200 -2.295 1.00 0.00 H new ATOM 0 HA MET A 74 3.735 0.424 -0.024 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.191 2.537 -1.278 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.136 1.193 -0.891 1.00 0.00 H new ATOM 0 HG2 MET A 74 3.129 2.210 1.177 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.595 3.028 0.956 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.337 1.325 3.532 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.544 2.773 2.990 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.748 2.086 1.977 1.00 0.00 H new ATOM 1203 N ALA A 75 2.386 -0.525 -2.876 1.00 0.00 N ATOM 1204 CA ALA A 75 1.853 -1.735 -3.566 1.00 0.00 C ATOM 1205 C ALA A 75 2.798 -2.918 -3.310 1.00 0.00 C ATOM 1206 O ALA A 75 2.392 -4.063 -3.350 1.00 0.00 O ATOM 1207 CB ALA A 75 1.738 -1.462 -5.068 1.00 0.00 C ATOM 0 H ALA A 75 2.464 0.314 -3.451 1.00 0.00 H new ATOM 0 HA ALA A 75 0.863 -1.977 -3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.348 -2.348 -5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.062 -0.623 -5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.722 -1.220 -5.470 1.00 0.00 H new ATOM 1213 N PHE A 76 4.048 -2.656 -3.029 1.00 0.00 N ATOM 1214 CA PHE A 76 4.981 -3.793 -2.756 1.00 0.00 C ATOM 1215 C PHE A 76 4.635 -4.380 -1.384 1.00 0.00 C ATOM 1216 O PHE A 76 4.477 -5.574 -1.234 1.00 0.00 O ATOM 1217 CB PHE A 76 6.451 -3.330 -2.791 1.00 0.00 C ATOM 1218 CG PHE A 76 7.334 -4.370 -2.125 1.00 0.00 C ATOM 1219 CD1 PHE A 76 7.307 -5.698 -2.570 1.00 0.00 C ATOM 1220 CD2 PHE A 76 8.159 -4.010 -1.050 1.00 0.00 C ATOM 1221 CE1 PHE A 76 8.106 -6.663 -1.945 1.00 0.00 C ATOM 1222 CE2 PHE A 76 8.952 -4.976 -0.422 1.00 0.00 C ATOM 1223 CZ PHE A 76 8.927 -6.302 -0.868 1.00 0.00 C ATOM 0 H PHE A 76 4.459 -1.724 -2.977 1.00 0.00 H new ATOM 0 HA PHE A 76 4.864 -4.552 -3.530 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.769 -3.176 -3.822 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.552 -2.373 -2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.669 -5.978 -3.396 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.182 -2.986 -0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.090 -7.685 -2.293 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.584 -4.698 0.408 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.540 -7.047 -0.383 1.00 0.00 H new ATOM 1233 N VAL A 77 4.494 -3.550 -0.389 1.00 0.00 N ATOM 1234 CA VAL A 77 4.132 -4.070 0.959 1.00 0.00 C ATOM 1235 C VAL A 77 2.841 -4.873 0.831 1.00 0.00 C ATOM 1236 O VAL A 77 2.640 -5.878 1.485 1.00 0.00 O ATOM 1237 CB VAL A 77 3.909 -2.891 1.909 1.00 0.00 C ATOM 1238 CG1 VAL A 77 3.268 -3.382 3.211 1.00 0.00 C ATOM 1239 CG2 VAL A 77 5.251 -2.234 2.216 1.00 0.00 C ATOM 0 H VAL A 77 4.613 -2.539 -0.450 1.00 0.00 H new ATOM 0 HA VAL A 77 4.929 -4.702 1.351 1.00 0.00 H new ATOM 0 HB VAL A 77 3.244 -2.168 1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.113 -2.537 3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.309 -3.851 2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.925 -4.108 3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.098 -1.393 2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.913 -2.961 2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.702 -1.877 1.290 1.00 0.00 H new ATOM 1249 N SER A 78 1.971 -4.425 -0.022 1.00 0.00 N ATOM 1250 CA SER A 78 0.682 -5.123 -0.242 1.00 0.00 C ATOM 1251 C SER A 78 0.957 -6.491 -0.851 1.00 0.00 C ATOM 1252 O SER A 78 0.268 -7.459 -0.595 1.00 0.00 O ATOM 1253 CB SER A 78 -0.148 -4.293 -1.210 1.00 0.00 C ATOM 1254 OG SER A 78 -1.506 -4.710 -1.145 1.00 0.00 O ATOM 0 H SER A 78 2.102 -3.587 -0.588 1.00 0.00 H new ATOM 0 HA SER A 78 0.147 -5.248 0.699 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.069 -3.235 -0.960 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.232 -4.410 -2.225 1.00 0.00 H new ATOM 0 HG SER A 78 -1.952 -4.505 -1.993 1.00 0.00 H new ATOM 1260 N MET A 79 1.973 -6.567 -1.657 1.00 0.00 N ATOM 1261 CA MET A 79 2.332 -7.857 -2.300 1.00 0.00 C ATOM 1262 C MET A 79 2.961 -8.770 -1.257 1.00 0.00 C ATOM 1263 O MET A 79 2.864 -9.980 -1.329 1.00 0.00 O ATOM 1264 CB MET A 79 3.339 -7.597 -3.426 1.00 0.00 C ATOM 1265 CG MET A 79 3.597 -8.886 -4.227 1.00 0.00 C ATOM 1266 SD MET A 79 5.283 -8.844 -4.894 1.00 0.00 S ATOM 1267 CE MET A 79 4.911 -9.506 -6.534 1.00 0.00 C ATOM 0 H MET A 79 2.577 -5.782 -1.901 1.00 0.00 H new ATOM 0 HA MET A 79 1.440 -8.329 -2.713 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.959 -6.820 -4.089 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.275 -7.229 -3.007 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.468 -9.759 -3.587 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.874 -8.976 -5.038 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.829 -9.564 -7.119 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.480 -10.502 -6.435 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.200 -8.851 -7.038 1.00 0.00 H new ATOM 1277 N VAL A 80 3.578 -8.195 -0.269 1.00 0.00 N ATOM 1278 CA VAL A 80 4.189 -9.005 0.804 1.00 0.00 C ATOM 1279 C VAL A 80 3.097 -9.245 1.818 1.00 0.00 C ATOM 1280 O VAL A 80 2.999 -10.298 2.417 1.00 0.00 O ATOM 1281 CB VAL A 80 5.340 -8.242 1.460 1.00 0.00 C ATOM 1282 CG1 VAL A 80 5.826 -9.012 2.692 1.00 0.00 C ATOM 1283 CG2 VAL A 80 6.492 -8.086 0.461 1.00 0.00 C ATOM 0 H VAL A 80 3.684 -7.186 -0.161 1.00 0.00 H new ATOM 0 HA VAL A 80 4.593 -9.938 0.411 1.00 0.00 H new ATOM 0 HB VAL A 80 4.993 -7.254 1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.647 -8.469 3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.006 -9.115 3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.171 -10.001 2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.311 -7.542 0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.841 -9.071 0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.144 -7.534 -0.412 1.00 0.00 H new ATOM 1293 N THR A 81 2.246 -8.272 1.995 1.00 0.00 N ATOM 1294 CA THR A 81 1.134 -8.453 2.947 1.00 0.00 C ATOM 1295 C THR A 81 0.227 -9.516 2.367 1.00 0.00 C ATOM 1296 O THR A 81 -0.314 -10.339 3.075 1.00 0.00 O ATOM 1297 CB THR A 81 0.352 -7.149 3.110 1.00 0.00 C ATOM 1298 OG1 THR A 81 1.249 -6.089 3.410 1.00 0.00 O ATOM 1299 CG2 THR A 81 -0.670 -7.296 4.240 1.00 0.00 C ATOM 0 H THR A 81 2.278 -7.369 1.522 1.00 0.00 H new ATOM 0 HA THR A 81 1.513 -8.743 3.927 1.00 0.00 H new ATOM 0 HB THR A 81 -0.172 -6.926 2.181 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.769 -5.865 2.610 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.225 -6.364 4.352 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.362 -8.104 4.002 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.152 -7.525 5.172 1.00 0.00 H new ATOM 1307 N THR A 82 0.039 -9.508 1.072 1.00 0.00 N ATOM 1308 CA THR A 82 -0.849 -10.521 0.461 1.00 0.00 C ATOM 1309 C THR A 82 -0.288 -11.920 0.692 1.00 0.00 C ATOM 1310 O THR A 82 -1.013 -12.822 1.047 1.00 0.00 O ATOM 1311 CB THR A 82 -0.964 -10.248 -1.037 1.00 0.00 C ATOM 1312 OG1 THR A 82 0.331 -10.011 -1.567 1.00 0.00 O ATOM 1313 CG2 THR A 82 -1.857 -9.013 -1.276 1.00 0.00 C ATOM 0 H THR A 82 0.462 -8.846 0.422 1.00 0.00 H new ATOM 0 HA THR A 82 -1.835 -10.462 0.921 1.00 0.00 H new ATOM 0 HB THR A 82 -1.411 -11.110 -1.532 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.001 -10.134 -0.862 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.936 -8.823 -2.346 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.850 -9.197 -0.866 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.417 -8.145 -0.785 1.00 0.00 H new ATOM 1321 N ALA A 83 0.995 -12.129 0.526 1.00 0.00 N ATOM 1322 CA ALA A 83 1.539 -13.490 0.772 1.00 0.00 C ATOM 1323 C ALA A 83 1.103 -13.935 2.161 1.00 0.00 C ATOM 1324 O ALA A 83 0.811 -15.090 2.396 1.00 0.00 O ATOM 1325 CB ALA A 83 3.067 -13.458 0.697 1.00 0.00 C ATOM 0 H ALA A 83 1.675 -11.426 0.236 1.00 0.00 H new ATOM 0 HA ALA A 83 1.166 -14.185 0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.461 -14.458 0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.376 -13.120 -0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.454 -12.773 1.452 1.00 0.00 H new ATOM 1331 N CYS A 84 1.036 -13.014 3.083 1.00 0.00 N ATOM 1332 CA CYS A 84 0.592 -13.389 4.454 1.00 0.00 C ATOM 1333 C CYS A 84 -0.905 -13.711 4.408 1.00 0.00 C ATOM 1334 O CYS A 84 -1.459 -14.282 5.326 1.00 0.00 O ATOM 1335 CB CYS A 84 0.846 -12.230 5.422 1.00 0.00 C ATOM 1336 SG CYS A 84 2.620 -11.878 5.488 1.00 0.00 S ATOM 0 H CYS A 84 1.267 -12.030 2.949 1.00 0.00 H new ATOM 0 HA CYS A 84 1.151 -14.258 4.801 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.300 -11.344 5.097 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.478 -12.484 6.416 1.00 0.00 H new ATOM 0 HG CYS A 84 2.979 -11.251 4.407 1.00 0.00 H new ATOM 1342 N HIS A 85 -1.562 -13.347 3.333 1.00 0.00 N ATOM 1343 CA HIS A 85 -3.027 -13.628 3.200 1.00 0.00 C ATOM 1344 C HIS A 85 -3.232 -14.894 2.359 1.00 0.00 C ATOM 1345 O HIS A 85 -4.108 -15.691 2.630 1.00 0.00 O ATOM 1346 CB HIS A 85 -3.713 -12.439 2.512 1.00 0.00 C ATOM 1347 CG HIS A 85 -5.142 -12.783 2.185 1.00 0.00 C ATOM 1348 ND1 HIS A 85 -5.751 -12.349 1.018 1.00 0.00 N ATOM 1349 CD2 HIS A 85 -6.091 -13.516 2.854 1.00 0.00 C ATOM 1350 CE1 HIS A 85 -7.012 -12.819 1.019 1.00 0.00 C ATOM 1351 NE2 HIS A 85 -7.273 -13.537 2.115 1.00 0.00 N ATOM 0 H HIS A 85 -1.144 -12.865 2.537 1.00 0.00 H new ATOM 0 HA HIS A 85 -3.460 -13.777 4.189 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.681 -11.565 3.162 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.176 -12.178 1.600 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -5.321 -11.777 0.291 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -5.944 -14.002 3.807 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.726 -12.638 0.230 1.00 0.00 H new ATOM 1359 N GLU A 86 -2.429 -15.096 1.345 1.00 0.00 N ATOM 1360 CA GLU A 86 -2.593 -16.323 0.510 1.00 0.00 C ATOM 1361 C GLU A 86 -2.052 -17.521 1.284 1.00 0.00 C ATOM 1362 O GLU A 86 -2.664 -18.570 1.344 1.00 0.00 O ATOM 1363 CB GLU A 86 -1.818 -16.178 -0.805 1.00 0.00 C ATOM 1364 CG GLU A 86 -2.047 -14.784 -1.387 1.00 0.00 C ATOM 1365 CD GLU A 86 -1.612 -14.762 -2.854 1.00 0.00 C ATOM 1366 OE1 GLU A 86 -1.047 -15.747 -3.299 1.00 0.00 O ATOM 1367 OE2 GLU A 86 -1.851 -13.760 -3.506 1.00 0.00 O ATOM 0 H GLU A 86 -1.674 -14.471 1.062 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.649 -16.466 0.282 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.754 -16.340 -0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.144 -16.937 -1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.100 -14.513 -1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.483 -14.045 -0.819 1.00 0.00 H new ATOM 1374 N PHE A 87 -0.905 -17.367 1.877 1.00 0.00 N ATOM 1375 CA PHE A 87 -0.303 -18.486 2.656 1.00 0.00 C ATOM 1376 C PHE A 87 -1.347 -19.060 3.616 1.00 0.00 C ATOM 1377 O PHE A 87 -1.578 -20.253 3.657 1.00 0.00 O ATOM 1378 CB PHE A 87 0.892 -17.958 3.458 1.00 0.00 C ATOM 1379 CG PHE A 87 1.728 -19.117 3.946 1.00 0.00 C ATOM 1380 CD1 PHE A 87 2.772 -19.608 3.153 1.00 0.00 C ATOM 1381 CD2 PHE A 87 1.460 -19.702 5.189 1.00 0.00 C ATOM 1382 CE1 PHE A 87 3.549 -20.682 3.602 1.00 0.00 C ATOM 1383 CE2 PHE A 87 2.237 -20.777 5.639 1.00 0.00 C ATOM 1384 CZ PHE A 87 3.281 -21.267 4.846 1.00 0.00 C ATOM 0 H PHE A 87 -0.353 -16.509 1.857 1.00 0.00 H new ATOM 0 HA PHE A 87 0.030 -19.268 1.974 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.496 -17.297 2.836 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.542 -17.367 4.305 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.978 -19.157 2.193 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.654 -19.325 5.801 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.355 -21.059 2.990 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.030 -21.228 6.598 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.880 -22.096 5.193 1.00 0.00 H new ATOM 1394 N PHE A 88 -1.978 -18.221 4.391 1.00 0.00 N ATOM 1395 CA PHE A 88 -3.007 -18.713 5.352 1.00 0.00 C ATOM 1396 C PHE A 88 -4.189 -19.311 4.582 1.00 0.00 C ATOM 1397 O PHE A 88 -4.906 -20.152 5.087 1.00 0.00 O ATOM 1398 CB PHE A 88 -3.490 -17.545 6.214 1.00 0.00 C ATOM 1399 CG PHE A 88 -4.580 -18.015 7.151 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -4.247 -18.700 8.326 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -5.923 -17.761 6.847 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -5.257 -19.132 9.194 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -6.933 -18.192 7.716 1.00 0.00 C ATOM 1404 CZ PHE A 88 -6.599 -18.879 8.891 1.00 0.00 C ATOM 0 H PHE A 88 -1.825 -17.213 4.400 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.572 -19.482 5.990 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.658 -17.135 6.786 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.865 -16.743 5.578 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.211 -18.895 8.563 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.180 -17.232 5.941 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.999 -19.662 10.099 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.969 -17.995 7.481 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.377 -19.213 9.562 1.00 0.00 H new ATOM 1414 N GLU A 89 -4.399 -18.883 3.363 1.00 0.00 N ATOM 1415 CA GLU A 89 -5.536 -19.424 2.555 1.00 0.00 C ATOM 1416 C GLU A 89 -5.023 -20.514 1.609 1.00 0.00 C ATOM 1417 O GLU A 89 -5.787 -21.154 0.915 1.00 0.00 O ATOM 1418 CB GLU A 89 -6.154 -18.295 1.726 1.00 0.00 C ATOM 1419 CG GLU A 89 -6.896 -17.323 2.644 1.00 0.00 C ATOM 1420 CD GLU A 89 -7.568 -16.238 1.797 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -7.078 -15.975 0.712 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -8.561 -15.690 2.249 1.00 0.00 O ATOM 0 H GLU A 89 -3.831 -18.180 2.890 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.285 -19.844 3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.375 -17.767 1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.841 -18.708 0.988 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.643 -17.858 3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.201 -16.870 3.351 1.00 0.00 H new ATOM 1429 N HIS A 90 -3.736 -20.724 1.568 1.00 0.00 N ATOM 1430 CA HIS A 90 -3.181 -21.767 0.657 1.00 0.00 C ATOM 1431 C HIS A 90 -3.699 -23.146 1.075 1.00 0.00 C ATOM 1432 O HIS A 90 -3.208 -23.749 2.007 1.00 0.00 O ATOM 1433 CB HIS A 90 -1.653 -21.747 0.744 1.00 0.00 C ATOM 1434 CG HIS A 90 -1.074 -22.740 -0.225 1.00 0.00 C ATOM 1435 ND1 HIS A 90 -1.782 -23.204 -1.325 1.00 0.00 N ATOM 1436 CD2 HIS A 90 0.148 -23.367 -0.274 1.00 0.00 C ATOM 1437 CE1 HIS A 90 -0.989 -24.071 -1.983 1.00 0.00 C ATOM 1438 NE2 HIS A 90 0.195 -24.204 -1.383 1.00 0.00 N ATOM 0 H HIS A 90 -3.045 -20.220 2.124 1.00 0.00 H new ATOM 0 HA HIS A 90 -3.494 -21.562 -0.367 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -1.280 -20.747 0.521 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -1.334 -21.987 1.758 1.00 0.00 H new ATOM 0 HD2 HIS A 90 0.948 -23.231 0.439 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -1.276 -24.593 -2.884 1.00 0.00 H new ATOM 0 HE2 HIS A 90 0.972 -24.796 -1.676 1.00 0.00 H new ATOM 1447 N GLU A 91 -4.692 -23.647 0.391 1.00 0.00 N ATOM 1448 CA GLU A 91 -5.247 -24.984 0.747 1.00 0.00 C ATOM 1449 C GLU A 91 -4.295 -26.078 0.261 1.00 0.00 C ATOM 1450 O GLU A 91 -3.095 -25.871 0.339 1.00 0.00 O ATOM 1451 CB GLU A 91 -6.612 -25.164 0.078 1.00 0.00 C ATOM 1452 CG GLU A 91 -7.513 -23.977 0.424 1.00 0.00 C ATOM 1453 CD GLU A 91 -8.865 -24.144 -0.271 1.00 0.00 C ATOM 1454 OE1 GLU A 91 -9.382 -25.249 -0.264 1.00 0.00 O ATOM 1455 OE2 GLU A 91 -9.362 -23.163 -0.799 1.00 0.00 O ATOM 1456 OXT GLU A 91 -4.783 -27.107 -0.182 1.00 0.00 O ATOM 0 H GLU A 91 -5.143 -23.187 -0.400 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.359 -25.054 1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.492 -25.239 -1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.073 -26.093 0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.652 -23.915 1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.043 -23.046 0.109 1.00 0.00 H new TER 1463 GLU A 91 ATOM 1464 N MET B 0 11.027 -3.091 16.824 1.00 0.00 N ATOM 1465 CA MET B 0 9.950 -2.149 16.407 1.00 0.00 C ATOM 1466 C MET B 0 9.684 -2.308 14.911 1.00 0.00 C ATOM 1467 O MET B 0 10.022 -1.453 14.116 1.00 0.00 O ATOM 1468 CB MET B 0 10.388 -0.711 16.696 1.00 0.00 C ATOM 1469 CG MET B 0 10.353 -0.458 18.204 1.00 0.00 C ATOM 1470 SD MET B 0 11.627 -1.460 19.010 1.00 0.00 S ATOM 1471 CE MET B 0 11.115 -1.147 20.715 1.00 0.00 C ATOM 0 H1 MET B 0 11.396 -2.806 17.754 1.00 0.00 H new ATOM 0 H2 MET B 0 10.641 -4.055 16.885 1.00 0.00 H new ATOM 0 H3 MET B 0 11.796 -3.070 16.125 1.00 0.00 H new ATOM 0 HA MET B 0 9.040 -2.371 16.964 1.00 0.00 H new ATOM 0 HB2 MET B 0 11.394 -0.542 16.312 1.00 0.00 H new ATOM 0 HB3 MET B 0 9.729 -0.010 16.184 1.00 0.00 H new ATOM 0 HG2 MET B 0 10.521 0.599 18.411 1.00 0.00 H new ATOM 0 HG3 MET B 0 9.370 -0.709 18.603 1.00 0.00 H new ATOM 0 HE1 MET B 0 11.777 -1.680 21.397 1.00 0.00 H new ATOM 0 HE2 MET B 0 11.167 -0.078 20.920 1.00 0.00 H new ATOM 0 HE3 MET B 0 10.092 -1.495 20.857 1.00 0.00 H new ATOM 1483 N SER B 1 9.076 -3.393 14.516 1.00 0.00 N ATOM 1484 CA SER B 1 8.787 -3.593 13.069 1.00 0.00 C ATOM 1485 C SER B 1 7.561 -2.761 12.683 1.00 0.00 C ATOM 1486 O SER B 1 6.452 -3.253 12.619 1.00 0.00 O ATOM 1487 CB SER B 1 8.527 -5.074 12.792 1.00 0.00 C ATOM 1488 OG SER B 1 7.782 -5.631 13.867 1.00 0.00 O ATOM 0 H SER B 1 8.768 -4.147 15.131 1.00 0.00 H new ATOM 0 HA SER B 1 9.643 -3.272 12.475 1.00 0.00 H new ATOM 0 HB2 SER B 1 7.979 -5.190 11.857 1.00 0.00 H new ATOM 0 HB3 SER B 1 9.472 -5.605 12.676 1.00 0.00 H new ATOM 0 HG SER B 1 7.483 -6.532 13.625 1.00 0.00 H new ATOM 1494 N GLU B 2 7.765 -1.501 12.426 1.00 0.00 N ATOM 1495 CA GLU B 2 6.628 -0.622 12.041 1.00 0.00 C ATOM 1496 C GLU B 2 5.877 -1.252 10.867 1.00 0.00 C ATOM 1497 O GLU B 2 4.677 -1.124 10.740 1.00 0.00 O ATOM 1498 CB GLU B 2 7.156 0.756 11.626 1.00 0.00 C ATOM 1499 CG GLU B 2 8.202 1.249 12.643 1.00 0.00 C ATOM 1500 CD GLU B 2 9.589 0.706 12.279 1.00 0.00 C ATOM 1501 OE1 GLU B 2 9.651 -0.270 11.550 1.00 0.00 O ATOM 1502 OE2 GLU B 2 10.564 1.279 12.735 1.00 0.00 O ATOM 0 H GLU B 2 8.674 -1.040 12.466 1.00 0.00 H new ATOM 0 HA GLU B 2 5.955 -0.509 12.891 1.00 0.00 H new ATOM 0 HB2 GLU B 2 7.601 0.700 10.633 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.332 1.467 11.566 1.00 0.00 H new ATOM 0 HG2 GLU B 2 8.222 2.339 12.656 1.00 0.00 H new ATOM 0 HG3 GLU B 2 7.927 0.923 13.646 1.00 0.00 H new ATOM 1509 N LEU B 3 6.579 -1.930 10.004 1.00 0.00 N ATOM 1510 CA LEU B 3 5.914 -2.563 8.830 1.00 0.00 C ATOM 1511 C LEU B 3 5.077 -3.773 9.286 1.00 0.00 C ATOM 1512 O LEU B 3 4.163 -4.191 8.604 1.00 0.00 O ATOM 1513 CB LEU B 3 7.001 -3.007 7.816 1.00 0.00 C ATOM 1514 CG LEU B 3 7.072 -2.049 6.605 1.00 0.00 C ATOM 1515 CD1 LEU B 3 5.917 -2.355 5.644 1.00 0.00 C ATOM 1516 CD2 LEU B 3 7.011 -0.571 7.060 1.00 0.00 C ATOM 0 H LEU B 3 7.587 -2.074 10.060 1.00 0.00 H new ATOM 0 HA LEU B 3 5.245 -1.846 8.353 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.971 -3.040 8.312 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.786 -4.018 7.469 1.00 0.00 H new ATOM 0 HG LEU B 3 8.023 -2.203 6.094 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.966 -1.680 4.790 1.00 0.00 H new ATOM 0 HD12 LEU B 3 5.995 -3.385 5.297 1.00 0.00 H new ATOM 0 HD13 LEU B 3 4.967 -2.217 6.161 1.00 0.00 H new ATOM 0 HD21 LEU B 3 7.063 0.081 6.188 1.00 0.00 H new ATOM 0 HD22 LEU B 3 6.076 -0.392 7.591 1.00 0.00 H new ATOM 0 HD23 LEU B 3 7.851 -0.359 7.722 1.00 0.00 H new ATOM 1528 N GLU B 4 5.378 -4.337 10.422 1.00 0.00 N ATOM 1529 CA GLU B 4 4.590 -5.510 10.894 1.00 0.00 C ATOM 1530 C GLU B 4 3.239 -5.025 11.423 1.00 0.00 C ATOM 1531 O GLU B 4 2.234 -5.695 11.297 1.00 0.00 O ATOM 1532 CB GLU B 4 5.359 -6.232 12.008 1.00 0.00 C ATOM 1533 CG GLU B 4 4.460 -7.292 12.659 1.00 0.00 C ATOM 1534 CD GLU B 4 5.318 -8.282 13.451 1.00 0.00 C ATOM 1535 OE1 GLU B 4 6.532 -8.169 13.392 1.00 0.00 O ATOM 1536 OE2 GLU B 4 4.746 -9.139 14.104 1.00 0.00 O ATOM 0 H GLU B 4 6.131 -4.039 11.042 1.00 0.00 H new ATOM 0 HA GLU B 4 4.429 -6.203 10.068 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.253 -6.702 11.599 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.691 -5.514 12.758 1.00 0.00 H new ATOM 0 HG2 GLU B 4 3.737 -6.813 13.320 1.00 0.00 H new ATOM 0 HG3 GLU B 4 3.892 -7.820 11.894 1.00 0.00 H new ATOM 1543 N LYS B 5 3.211 -3.863 12.010 1.00 0.00 N ATOM 1544 CA LYS B 5 1.929 -3.327 12.545 1.00 0.00 C ATOM 1545 C LYS B 5 1.013 -2.953 11.379 1.00 0.00 C ATOM 1546 O LYS B 5 -0.164 -3.259 11.376 1.00 0.00 O ATOM 1547 CB LYS B 5 2.229 -2.086 13.408 1.00 0.00 C ATOM 1548 CG LYS B 5 2.597 -2.523 14.840 1.00 0.00 C ATOM 1549 CD LYS B 5 3.512 -1.475 15.510 1.00 0.00 C ATOM 1550 CE LYS B 5 4.988 -1.784 15.205 1.00 0.00 C ATOM 1551 NZ LYS B 5 5.785 -0.530 15.299 1.00 0.00 N ATOM 0 H LYS B 5 4.022 -3.259 12.143 1.00 0.00 H new ATOM 0 HA LYS B 5 1.431 -4.079 13.157 1.00 0.00 H new ATOM 0 HB2 LYS B 5 3.048 -1.516 12.970 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.360 -1.428 13.430 1.00 0.00 H new ATOM 0 HG2 LYS B 5 1.690 -2.653 15.431 1.00 0.00 H new ATOM 0 HG3 LYS B 5 3.101 -3.489 14.813 1.00 0.00 H new ATOM 0 HD2 LYS B 5 3.260 -0.478 15.149 1.00 0.00 H new ATOM 0 HD3 LYS B 5 3.348 -1.475 16.588 1.00 0.00 H new ATOM 0 HE2 LYS B 5 5.369 -2.524 15.909 1.00 0.00 H new ATOM 0 HE3 LYS B 5 5.083 -2.214 14.208 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 6.732 -0.690 14.900 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 5.308 0.225 14.766 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 5.872 -0.248 16.296 1.00 0.00 H new ATOM 1565 N ALA B 6 1.540 -2.289 10.390 1.00 0.00 N ATOM 1566 CA ALA B 6 0.703 -1.888 9.228 1.00 0.00 C ATOM 1567 C ALA B 6 0.158 -3.125 8.521 1.00 0.00 C ATOM 1568 O ALA B 6 -1.033 -3.270 8.330 1.00 0.00 O ATOM 1569 CB ALA B 6 1.554 -1.085 8.247 1.00 0.00 C ATOM 0 H ALA B 6 2.518 -2.006 10.337 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.131 -1.282 9.583 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.944 -0.789 7.394 1.00 0.00 H new ATOM 0 HB2 ALA B 6 1.939 -0.195 8.744 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.387 -1.697 7.902 1.00 0.00 H new ATOM 1575 N MET B 7 1.018 -4.010 8.120 1.00 0.00 N ATOM 1576 CA MET B 7 0.547 -5.230 7.413 1.00 0.00 C ATOM 1577 C MET B 7 -0.572 -5.890 8.218 1.00 0.00 C ATOM 1578 O MET B 7 -1.539 -6.377 7.669 1.00 0.00 O ATOM 1579 CB MET B 7 1.703 -6.224 7.264 1.00 0.00 C ATOM 1580 CG MET B 7 2.815 -5.624 6.397 1.00 0.00 C ATOM 1581 SD MET B 7 4.366 -6.494 6.750 1.00 0.00 S ATOM 1582 CE MET B 7 5.069 -6.454 5.080 1.00 0.00 C ATOM 0 H MET B 7 2.028 -3.944 8.250 1.00 0.00 H new ATOM 0 HA MET B 7 0.178 -4.947 6.427 1.00 0.00 H new ATOM 0 HB2 MET B 7 2.098 -6.482 8.247 1.00 0.00 H new ATOM 0 HB3 MET B 7 1.341 -7.148 6.814 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.562 -5.717 5.341 1.00 0.00 H new ATOM 0 HG3 MET B 7 2.923 -4.560 6.606 1.00 0.00 H new ATOM 0 HE1 MET B 7 5.939 -7.109 5.036 1.00 0.00 H new ATOM 0 HE2 MET B 7 4.322 -6.794 4.363 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.369 -5.435 4.836 1.00 0.00 H new ATOM 1592 N VAL B 8 -0.449 -5.920 9.514 1.00 0.00 N ATOM 1593 CA VAL B 8 -1.509 -6.563 10.340 1.00 0.00 C ATOM 1594 C VAL B 8 -2.748 -5.667 10.364 1.00 0.00 C ATOM 1595 O VAL B 8 -3.866 -6.129 10.246 1.00 0.00 O ATOM 1596 CB VAL B 8 -0.977 -6.773 11.766 1.00 0.00 C ATOM 1597 CG1 VAL B 8 -2.130 -7.098 12.724 1.00 0.00 C ATOM 1598 CG2 VAL B 8 0.025 -7.932 11.762 1.00 0.00 C ATOM 0 H VAL B 8 0.335 -5.529 10.036 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.780 -7.529 9.913 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.489 -5.858 12.103 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.737 -7.244 13.730 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.842 -6.273 12.729 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.631 -8.008 12.395 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.407 -8.087 12.771 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -0.470 -8.840 11.418 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.853 -7.695 11.093 1.00 0.00 H new ATOM 1608 N ALA B 9 -2.555 -4.395 10.520 1.00 0.00 N ATOM 1609 CA ALA B 9 -3.715 -3.468 10.558 1.00 0.00 C ATOM 1610 C ALA B 9 -4.502 -3.564 9.243 1.00 0.00 C ATOM 1611 O ALA B 9 -5.715 -3.456 9.230 1.00 0.00 O ATOM 1612 CB ALA B 9 -3.207 -2.035 10.763 1.00 0.00 C ATOM 0 H ALA B 9 -1.642 -3.953 10.623 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.375 -3.740 11.382 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.054 -1.349 10.792 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.659 -1.974 11.703 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.547 -1.762 9.940 1.00 0.00 H new ATOM 1618 N LEU B 10 -3.833 -3.750 8.132 1.00 0.00 N ATOM 1619 CA LEU B 10 -4.572 -3.827 6.835 1.00 0.00 C ATOM 1620 C LEU B 10 -5.179 -5.222 6.639 1.00 0.00 C ATOM 1621 O LEU B 10 -6.327 -5.343 6.295 1.00 0.00 O ATOM 1622 CB LEU B 10 -3.612 -3.485 5.678 1.00 0.00 C ATOM 1623 CG LEU B 10 -3.650 -1.975 5.406 1.00 0.00 C ATOM 1624 CD1 LEU B 10 -3.244 -1.213 6.666 1.00 0.00 C ATOM 1625 CD2 LEU B 10 -2.680 -1.629 4.282 1.00 0.00 C ATOM 0 H LEU B 10 -2.820 -3.851 8.067 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.389 -3.106 6.847 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.598 -3.794 5.931 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.898 -4.034 4.781 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.662 -1.693 5.117 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.272 -0.141 6.468 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -3.936 -1.451 7.474 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -2.234 -1.502 6.956 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -2.711 -0.556 4.092 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -1.670 -1.918 4.572 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.965 -2.165 3.377 1.00 0.00 H new ATOM 1637 N ILE B 11 -4.428 -6.271 6.841 1.00 0.00 N ATOM 1638 CA ILE B 11 -4.980 -7.650 6.638 1.00 0.00 C ATOM 1639 C ILE B 11 -6.371 -7.748 7.274 1.00 0.00 C ATOM 1640 O ILE B 11 -7.212 -8.506 6.834 1.00 0.00 O ATOM 1641 CB ILE B 11 -4.030 -8.670 7.285 1.00 0.00 C ATOM 1642 CG1 ILE B 11 -2.789 -8.823 6.402 1.00 0.00 C ATOM 1643 CG2 ILE B 11 -4.721 -10.032 7.421 1.00 0.00 C ATOM 1644 CD1 ILE B 11 -1.688 -9.552 7.175 1.00 0.00 C ATOM 0 H ILE B 11 -3.453 -6.236 7.139 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.066 -7.861 5.572 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.748 -8.316 8.277 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -3.041 -9.379 5.499 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.435 -7.842 6.084 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.035 -10.744 7.881 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.609 -9.929 8.045 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.011 -10.393 6.434 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.807 -9.658 6.541 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.428 -8.979 8.065 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -2.043 -10.539 7.470 1.00 0.00 H new ATOM 1656 N ASP B 12 -6.622 -6.979 8.294 1.00 0.00 N ATOM 1657 CA ASP B 12 -7.965 -7.023 8.943 1.00 0.00 C ATOM 1658 C ASP B 12 -8.950 -6.192 8.117 1.00 0.00 C ATOM 1659 O ASP B 12 -10.015 -6.653 7.755 1.00 0.00 O ATOM 1660 CB ASP B 12 -7.873 -6.454 10.360 1.00 0.00 C ATOM 1661 CG ASP B 12 -7.162 -7.459 11.268 1.00 0.00 C ATOM 1662 OD1 ASP B 12 -6.155 -8.001 10.842 1.00 0.00 O ATOM 1663 OD2 ASP B 12 -7.635 -7.670 12.372 1.00 0.00 O ATOM 0 H ASP B 12 -5.959 -6.323 8.707 1.00 0.00 H new ATOM 0 HA ASP B 12 -8.311 -8.055 8.996 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -7.329 -5.509 10.349 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -8.871 -6.243 10.744 1.00 0.00 H new ATOM 1668 N VAL B 13 -8.600 -4.975 7.805 1.00 0.00 N ATOM 1669 CA VAL B 13 -9.509 -4.117 6.990 1.00 0.00 C ATOM 1670 C VAL B 13 -9.478 -4.594 5.535 1.00 0.00 C ATOM 1671 O VAL B 13 -10.417 -4.408 4.787 1.00 0.00 O ATOM 1672 CB VAL B 13 -9.059 -2.649 7.088 1.00 0.00 C ATOM 1673 CG1 VAL B 13 -10.107 -1.734 6.445 1.00 0.00 C ATOM 1674 CG2 VAL B 13 -8.886 -2.274 8.569 1.00 0.00 C ATOM 0 H VAL B 13 -7.721 -4.535 8.080 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.529 -4.192 7.366 1.00 0.00 H new ATOM 0 HB VAL B 13 -8.112 -2.525 6.562 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -9.779 -0.697 6.519 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.229 -2.002 5.395 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -11.059 -1.852 6.962 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.567 -1.235 8.646 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.835 -2.402 9.090 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -8.133 -2.919 9.022 1.00 0.00 H new ATOM 1684 N PHE B 14 -8.398 -5.206 5.131 1.00 0.00 N ATOM 1685 CA PHE B 14 -8.296 -5.696 3.726 1.00 0.00 C ATOM 1686 C PHE B 14 -9.218 -6.911 3.531 1.00 0.00 C ATOM 1687 O PHE B 14 -9.922 -7.010 2.547 1.00 0.00 O ATOM 1688 CB PHE B 14 -6.831 -6.069 3.425 1.00 0.00 C ATOM 1689 CG PHE B 14 -6.744 -7.055 2.276 1.00 0.00 C ATOM 1690 CD1 PHE B 14 -7.450 -6.814 1.093 1.00 0.00 C ATOM 1691 CD2 PHE B 14 -5.961 -8.211 2.401 1.00 0.00 C ATOM 1692 CE1 PHE B 14 -7.374 -7.728 0.034 1.00 0.00 C ATOM 1693 CE2 PHE B 14 -5.886 -9.124 1.345 1.00 0.00 C ATOM 1694 CZ PHE B 14 -6.592 -8.883 0.161 1.00 0.00 C ATOM 0 H PHE B 14 -7.581 -5.388 5.714 1.00 0.00 H new ATOM 0 HA PHE B 14 -8.610 -4.913 3.036 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -6.266 -5.169 3.180 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -6.372 -6.501 4.314 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -8.054 -5.924 0.996 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -5.415 -8.397 3.314 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -7.918 -7.542 -0.880 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -5.283 -10.015 1.443 1.00 0.00 H new ATOM 0 HZ PHE B 14 -6.534 -9.588 -0.655 1.00 0.00 H new ATOM 1704 N HIS B 15 -9.207 -7.841 4.445 1.00 0.00 N ATOM 1705 CA HIS B 15 -10.068 -9.051 4.283 1.00 0.00 C ATOM 1706 C HIS B 15 -11.526 -8.722 4.645 1.00 0.00 C ATOM 1707 O HIS B 15 -12.451 -9.250 4.061 1.00 0.00 O ATOM 1708 CB HIS B 15 -9.532 -10.172 5.199 1.00 0.00 C ATOM 1709 CG HIS B 15 -9.745 -11.527 4.567 1.00 0.00 C ATOM 1710 ND1 HIS B 15 -9.044 -12.648 4.985 1.00 0.00 N ATOM 1711 CD2 HIS B 15 -10.561 -11.955 3.546 1.00 0.00 C ATOM 1712 CE1 HIS B 15 -9.444 -13.685 4.226 1.00 0.00 C ATOM 1713 NE2 HIS B 15 -10.366 -13.318 3.332 1.00 0.00 N ATOM 0 H HIS B 15 -8.643 -7.818 5.294 1.00 0.00 H new ATOM 0 HA HIS B 15 -10.041 -9.381 3.244 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -8.470 -10.017 5.388 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -10.037 -10.132 6.164 1.00 0.00 H new ATOM 0 HD1 HIS B 15 -8.351 -12.681 5.732 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -11.248 -11.330 2.994 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -9.066 -14.691 4.327 1.00 0.00 H new ATOM 1721 N GLN B 16 -11.740 -7.873 5.614 1.00 0.00 N ATOM 1722 CA GLN B 16 -13.138 -7.537 6.018 1.00 0.00 C ATOM 1723 C GLN B 16 -13.849 -6.759 4.904 1.00 0.00 C ATOM 1724 O GLN B 16 -15.011 -6.986 4.621 1.00 0.00 O ATOM 1725 CB GLN B 16 -13.108 -6.697 7.296 1.00 0.00 C ATOM 1726 CG GLN B 16 -12.675 -7.577 8.470 1.00 0.00 C ATOM 1727 CD GLN B 16 -12.311 -6.698 9.668 1.00 0.00 C ATOM 1728 OE1 GLN B 16 -11.324 -6.938 10.335 1.00 0.00 O ATOM 1729 NE2 GLN B 16 -13.074 -5.684 9.973 1.00 0.00 N ATOM 0 H GLN B 16 -11.009 -7.398 6.143 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.686 -8.462 6.198 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.418 -5.861 7.179 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -14.093 -6.272 7.489 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -13.479 -8.261 8.740 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -11.820 -8.188 8.182 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -13.902 -5.483 9.413 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -12.842 -5.093 10.771 1.00 0.00 H new ATOM 1738 N TYR B 17 -13.172 -5.845 4.263 1.00 0.00 N ATOM 1739 CA TYR B 17 -13.827 -5.064 3.169 1.00 0.00 C ATOM 1740 C TYR B 17 -13.678 -5.819 1.853 1.00 0.00 C ATOM 1741 O TYR B 17 -14.654 -6.155 1.213 1.00 0.00 O ATOM 1742 CB TYR B 17 -13.187 -3.669 3.076 1.00 0.00 C ATOM 1743 CG TYR B 17 -13.839 -2.757 4.094 1.00 0.00 C ATOM 1744 CD1 TYR B 17 -13.428 -2.792 5.433 1.00 0.00 C ATOM 1745 CD2 TYR B 17 -14.868 -1.894 3.700 1.00 0.00 C ATOM 1746 CE1 TYR B 17 -14.044 -1.960 6.377 1.00 0.00 C ATOM 1747 CE2 TYR B 17 -15.485 -1.063 4.644 1.00 0.00 C ATOM 1748 CZ TYR B 17 -15.074 -1.095 5.982 1.00 0.00 C ATOM 1749 OH TYR B 17 -15.683 -0.277 6.912 1.00 0.00 O ATOM 0 H TYR B 17 -12.198 -5.604 4.447 1.00 0.00 H new ATOM 0 HA TYR B 17 -14.889 -4.941 3.383 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -12.115 -3.734 3.261 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -13.313 -3.263 2.072 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -12.636 -3.460 5.737 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -15.186 -1.869 2.668 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.725 -1.985 7.409 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -16.279 -0.397 4.339 1.00 0.00 H new ATOM 0 HH TYR B 17 -15.042 -0.050 7.617 1.00 0.00 H new ATOM 1759 N SER B 18 -12.478 -6.115 1.443 1.00 0.00 N ATOM 1760 CA SER B 18 -12.318 -6.877 0.176 1.00 0.00 C ATOM 1761 C SER B 18 -13.176 -8.143 0.278 1.00 0.00 C ATOM 1762 O SER B 18 -13.543 -8.746 -0.711 1.00 0.00 O ATOM 1763 CB SER B 18 -10.845 -7.253 -0.015 1.00 0.00 C ATOM 1764 OG SER B 18 -10.608 -7.529 -1.388 1.00 0.00 O ATOM 0 H SER B 18 -11.613 -5.867 1.922 1.00 0.00 H new ATOM 0 HA SER B 18 -12.634 -6.276 -0.677 1.00 0.00 H new ATOM 0 HB2 SER B 18 -10.203 -6.439 0.321 1.00 0.00 H new ATOM 0 HB3 SER B 18 -10.598 -8.124 0.591 1.00 0.00 H new ATOM 0 HG SER B 18 -9.741 -7.156 -1.652 1.00 0.00 H new ATOM 1770 N GLY B 19 -13.494 -8.542 1.486 1.00 0.00 N ATOM 1771 CA GLY B 19 -14.328 -9.763 1.702 1.00 0.00 C ATOM 1772 C GLY B 19 -15.781 -9.373 2.009 1.00 0.00 C ATOM 1773 O GLY B 19 -16.620 -10.224 2.223 1.00 0.00 O ATOM 0 H GLY B 19 -13.207 -8.066 2.341 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -14.294 -10.395 0.815 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -13.920 -10.348 2.526 1.00 0.00 H new ATOM 1777 N ARG B 20 -16.099 -8.102 2.017 1.00 0.00 N ATOM 1778 CA ARG B 20 -17.511 -7.697 2.292 1.00 0.00 C ATOM 1779 C ARG B 20 -18.408 -8.340 1.242 1.00 0.00 C ATOM 1780 O ARG B 20 -19.473 -8.847 1.535 1.00 0.00 O ATOM 1781 CB ARG B 20 -17.628 -6.169 2.202 1.00 0.00 C ATOM 1782 CG ARG B 20 -19.069 -5.714 2.467 1.00 0.00 C ATOM 1783 CD ARG B 20 -19.197 -4.229 2.123 1.00 0.00 C ATOM 1784 NE ARG B 20 -20.558 -3.752 2.490 1.00 0.00 N ATOM 1785 CZ ARG B 20 -21.581 -4.074 1.748 1.00 0.00 C ATOM 1786 NH1 ARG B 20 -21.408 -4.810 0.684 1.00 0.00 N ATOM 1787 NH2 ARG B 20 -22.776 -3.662 2.070 1.00 0.00 N ATOM 0 H ARG B 20 -15.449 -7.335 1.847 1.00 0.00 H new ATOM 0 HA ARG B 20 -17.810 -8.020 3.289 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -16.957 -5.706 2.925 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -17.312 -5.834 1.214 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -19.765 -6.300 1.867 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -19.330 -5.882 3.512 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -18.441 -3.654 2.658 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -19.020 -4.074 1.059 1.00 0.00 H new ATOM 0 HE ARG B 20 -20.690 -3.174 3.320 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -20.473 -5.133 0.434 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -22.207 -5.062 0.103 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -22.910 -3.088 2.902 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -23.576 -3.914 1.490 1.00 0.00 H new ATOM 1801 N GLU B 21 -17.975 -8.324 0.015 1.00 0.00 N ATOM 1802 CA GLU B 21 -18.784 -8.935 -1.081 1.00 0.00 C ATOM 1803 C GLU B 21 -17.844 -9.441 -2.179 1.00 0.00 C ATOM 1804 O GLU B 21 -16.658 -9.175 -2.165 1.00 0.00 O ATOM 1805 CB GLU B 21 -19.751 -7.887 -1.651 1.00 0.00 C ATOM 1806 CG GLU B 21 -19.099 -6.506 -1.608 1.00 0.00 C ATOM 1807 CD GLU B 21 -20.005 -5.493 -2.310 1.00 0.00 C ATOM 1808 OE1 GLU B 21 -21.210 -5.586 -2.135 1.00 0.00 O ATOM 1809 OE2 GLU B 21 -19.482 -4.643 -3.010 1.00 0.00 O ATOM 0 H GLU B 21 -17.090 -7.912 -0.281 1.00 0.00 H new ATOM 0 HA GLU B 21 -19.363 -9.773 -0.691 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -20.016 -8.143 -2.677 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -20.676 -7.881 -1.075 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -18.930 -6.204 -0.574 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -18.124 -6.537 -2.095 1.00 0.00 H new ATOM 1816 N GLY B 22 -18.364 -10.175 -3.127 1.00 0.00 N ATOM 1817 CA GLY B 22 -17.505 -10.710 -4.226 1.00 0.00 C ATOM 1818 C GLY B 22 -17.020 -12.112 -3.849 1.00 0.00 C ATOM 1819 O GLY B 22 -17.552 -12.742 -2.956 1.00 0.00 O ATOM 0 H GLY B 22 -19.350 -10.428 -3.188 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -18.068 -10.746 -5.159 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -16.654 -10.050 -4.392 1.00 0.00 H new ATOM 1823 N ASP B 23 -16.015 -12.605 -4.519 1.00 0.00 N ATOM 1824 CA ASP B 23 -15.499 -13.965 -4.194 1.00 0.00 C ATOM 1825 C ASP B 23 -15.235 -14.059 -2.690 1.00 0.00 C ATOM 1826 O ASP B 23 -15.929 -14.749 -1.969 1.00 0.00 O ATOM 1827 CB ASP B 23 -14.196 -14.209 -4.956 1.00 0.00 C ATOM 1828 CG ASP B 23 -13.728 -15.646 -4.722 1.00 0.00 C ATOM 1829 OD1 ASP B 23 -14.578 -16.505 -4.551 1.00 0.00 O ATOM 1830 OD2 ASP B 23 -12.527 -15.865 -4.718 1.00 0.00 O ATOM 0 H ASP B 23 -15.529 -12.126 -5.277 1.00 0.00 H new ATOM 0 HA ASP B 23 -16.235 -14.715 -4.483 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.347 -14.034 -6.021 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -13.431 -13.508 -4.623 1.00 0.00 H new ATOM 1835 N LYS B 24 -14.239 -13.365 -2.212 1.00 0.00 N ATOM 1836 CA LYS B 24 -13.928 -13.408 -0.756 1.00 0.00 C ATOM 1837 C LYS B 24 -12.857 -12.361 -0.437 1.00 0.00 C ATOM 1838 O LYS B 24 -12.543 -12.110 0.710 1.00 0.00 O ATOM 1839 CB LYS B 24 -13.412 -14.804 -0.373 1.00 0.00 C ATOM 1840 CG LYS B 24 -13.561 -15.025 1.149 1.00 0.00 C ATOM 1841 CD LYS B 24 -12.462 -15.964 1.659 1.00 0.00 C ATOM 1842 CE LYS B 24 -12.812 -16.442 3.070 1.00 0.00 C ATOM 1843 NZ LYS B 24 -11.639 -17.144 3.663 1.00 0.00 N ATOM 0 H LYS B 24 -13.626 -12.769 -2.768 1.00 0.00 H new ATOM 0 HA LYS B 24 -14.833 -13.194 -0.187 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -13.969 -15.568 -0.916 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -12.366 -14.906 -0.663 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -13.503 -14.069 1.670 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -14.541 -15.448 1.368 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -12.359 -16.818 0.989 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -11.502 -15.447 1.666 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -13.094 -15.593 3.693 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -13.671 -17.112 3.036 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -11.877 -17.469 4.622 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -11.389 -17.963 3.072 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -10.831 -16.491 3.709 1.00 0.00 H new ATOM 1857 N HIS B 25 -12.289 -11.753 -1.443 1.00 0.00 N ATOM 1858 CA HIS B 25 -11.235 -10.728 -1.187 1.00 0.00 C ATOM 1859 C HIS B 25 -11.023 -9.879 -2.450 1.00 0.00 C ATOM 1860 O HIS B 25 -9.990 -9.929 -3.088 1.00 0.00 O ATOM 1861 CB HIS B 25 -9.917 -11.425 -0.760 1.00 0.00 C ATOM 1862 CG HIS B 25 -9.921 -12.862 -1.211 1.00 0.00 C ATOM 1863 ND1 HIS B 25 -9.694 -13.912 -0.331 1.00 0.00 N ATOM 1864 CD2 HIS B 25 -10.125 -13.439 -2.440 1.00 0.00 C ATOM 1865 CE1 HIS B 25 -9.766 -15.055 -1.037 1.00 0.00 C ATOM 1866 NE2 HIS B 25 -10.027 -14.820 -2.325 1.00 0.00 N ATOM 0 H HIS B 25 -12.507 -11.920 -2.425 1.00 0.00 H new ATOM 0 HA HIS B 25 -11.552 -10.070 -0.378 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -9.064 -10.903 -1.192 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -9.805 -11.376 0.323 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -10.330 -12.902 -3.355 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.630 -16.040 -0.615 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -10.132 -15.510 -3.069 1.00 0.00 H new ATOM 1874 N LYS B 26 -12.003 -9.089 -2.803 1.00 0.00 N ATOM 1875 CA LYS B 26 -11.908 -8.207 -4.000 1.00 0.00 C ATOM 1876 C LYS B 26 -12.459 -6.842 -3.574 1.00 0.00 C ATOM 1877 O LYS B 26 -13.415 -6.781 -2.827 1.00 0.00 O ATOM 1878 CB LYS B 26 -12.786 -8.804 -5.109 1.00 0.00 C ATOM 1879 CG LYS B 26 -12.655 -7.984 -6.402 1.00 0.00 C ATOM 1880 CD LYS B 26 -11.318 -8.303 -7.133 1.00 0.00 C ATOM 1881 CE LYS B 26 -10.473 -7.033 -7.266 1.00 0.00 C ATOM 1882 NZ LYS B 26 -9.177 -7.366 -7.921 1.00 0.00 N ATOM 0 H LYS B 26 -12.886 -9.018 -2.298 1.00 0.00 H new ATOM 0 HA LYS B 26 -10.886 -8.115 -4.369 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -12.493 -9.837 -5.296 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -13.827 -8.821 -4.787 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -13.495 -8.202 -7.062 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -12.701 -6.920 -6.168 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.764 -9.061 -6.579 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -11.524 -8.717 -8.120 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -11.008 -6.287 -7.853 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.295 -6.597 -6.283 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -8.707 -6.490 -8.226 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -8.566 -7.870 -7.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -9.352 -7.971 -8.748 1.00 0.00 H new ATOM 1896 N LEU B 27 -11.886 -5.743 -4.012 1.00 0.00 N ATOM 1897 CA LEU B 27 -12.428 -4.416 -3.569 1.00 0.00 C ATOM 1898 C LEU B 27 -13.463 -3.902 -4.576 1.00 0.00 C ATOM 1899 O LEU B 27 -13.167 -3.667 -5.730 1.00 0.00 O ATOM 1900 CB LEU B 27 -11.277 -3.414 -3.444 1.00 0.00 C ATOM 1901 CG LEU B 27 -11.726 -2.168 -2.643 1.00 0.00 C ATOM 1902 CD1 LEU B 27 -10.493 -1.410 -2.139 1.00 0.00 C ATOM 1903 CD2 LEU B 27 -12.590 -1.240 -3.523 1.00 0.00 C ATOM 0 H LEU B 27 -11.085 -5.706 -4.642 1.00 0.00 H new ATOM 0 HA LEU B 27 -12.915 -4.533 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -10.429 -3.886 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -10.940 -3.114 -4.436 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.325 -2.494 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -10.810 -0.533 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -9.903 -2.062 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -9.887 -1.095 -2.989 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -12.896 -0.370 -2.943 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -12.010 -0.915 -4.387 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -13.474 -1.780 -3.862 1.00 0.00 H new ATOM 1915 N LYS B 28 -14.678 -3.709 -4.120 1.00 0.00 N ATOM 1916 CA LYS B 28 -15.767 -3.187 -5.003 1.00 0.00 C ATOM 1917 C LYS B 28 -16.091 -1.750 -4.595 1.00 0.00 C ATOM 1918 O LYS B 28 -15.936 -1.377 -3.452 1.00 0.00 O ATOM 1919 CB LYS B 28 -17.019 -4.046 -4.834 1.00 0.00 C ATOM 1920 CG LYS B 28 -16.751 -5.451 -5.375 1.00 0.00 C ATOM 1921 CD LYS B 28 -18.065 -6.230 -5.430 1.00 0.00 C ATOM 1922 CE LYS B 28 -17.819 -7.609 -6.043 1.00 0.00 C ATOM 1923 NZ LYS B 28 -17.573 -7.464 -7.506 1.00 0.00 N ATOM 0 H LYS B 28 -14.964 -3.894 -3.159 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.441 -3.218 -6.043 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.298 -4.097 -3.782 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -17.857 -3.594 -5.365 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -16.308 -5.392 -6.369 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.035 -5.968 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -18.479 -6.335 -4.427 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -18.799 -5.683 -6.022 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -16.963 -8.084 -5.564 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -18.680 -8.255 -5.870 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -17.675 -8.390 -7.969 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -18.262 -6.798 -7.910 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -16.610 -7.103 -7.662 1.00 0.00 H new ATOM 1937 N LYS B 29 -16.546 -0.943 -5.513 1.00 0.00 N ATOM 1938 CA LYS B 29 -16.884 0.472 -5.171 1.00 0.00 C ATOM 1939 C LYS B 29 -17.649 0.520 -3.839 1.00 0.00 C ATOM 1940 O LYS B 29 -17.311 1.267 -2.943 1.00 0.00 O ATOM 1941 CB LYS B 29 -17.747 1.063 -6.291 1.00 0.00 C ATOM 1942 CG LYS B 29 -18.109 2.518 -5.957 1.00 0.00 C ATOM 1943 CD LYS B 29 -18.484 3.277 -7.241 1.00 0.00 C ATOM 1944 CE LYS B 29 -19.485 2.455 -8.066 1.00 0.00 C ATOM 1945 NZ LYS B 29 -20.208 3.354 -9.009 1.00 0.00 N ATOM 0 H LYS B 29 -16.699 -1.201 -6.488 1.00 0.00 H new ATOM 0 HA LYS B 29 -15.968 1.054 -5.069 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.209 1.021 -7.238 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.655 0.472 -6.414 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -18.942 2.542 -5.255 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.267 3.008 -5.469 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -18.917 4.244 -6.988 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.589 3.474 -7.831 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.962 1.675 -8.619 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -20.195 1.957 -7.405 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -20.837 2.789 -9.614 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -20.773 4.041 -8.470 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -19.520 3.861 -9.602 1.00 0.00 H new ATOM 1959 N SER B 30 -18.677 -0.274 -3.706 1.00 0.00 N ATOM 1960 CA SER B 30 -19.464 -0.275 -2.436 1.00 0.00 C ATOM 1961 C SER B 30 -18.519 -0.424 -1.238 1.00 0.00 C ATOM 1962 O SER B 30 -18.894 -0.199 -0.107 1.00 0.00 O ATOM 1963 CB SER B 30 -20.456 -1.439 -2.443 1.00 0.00 C ATOM 1964 OG SER B 30 -21.094 -1.506 -3.712 1.00 0.00 O ATOM 0 H SER B 30 -19.007 -0.922 -4.421 1.00 0.00 H new ATOM 0 HA SER B 30 -20.007 0.667 -2.356 1.00 0.00 H new ATOM 0 HB2 SER B 30 -19.938 -2.375 -2.234 1.00 0.00 H new ATOM 0 HB3 SER B 30 -21.199 -1.304 -1.657 1.00 0.00 H new ATOM 0 HG SER B 30 -21.729 -2.252 -3.720 1.00 0.00 H new ATOM 1970 N GLU B 31 -17.287 -0.772 -1.487 1.00 0.00 N ATOM 1971 CA GLU B 31 -16.298 -0.912 -0.372 1.00 0.00 C ATOM 1972 C GLU B 31 -15.464 0.349 -0.306 1.00 0.00 C ATOM 1973 O GLU B 31 -15.147 0.835 0.756 1.00 0.00 O ATOM 1974 CB GLU B 31 -15.389 -2.118 -0.617 1.00 0.00 C ATOM 1975 CG GLU B 31 -16.244 -3.373 -0.787 1.00 0.00 C ATOM 1976 CD GLU B 31 -15.334 -4.579 -1.007 1.00 0.00 C ATOM 1977 OE1 GLU B 31 -14.197 -4.521 -0.574 1.00 0.00 O ATOM 1978 OE2 GLU B 31 -15.790 -5.539 -1.606 1.00 0.00 O ATOM 0 H GLU B 31 -16.918 -0.967 -2.418 1.00 0.00 H new ATOM 0 HA GLU B 31 -16.827 -1.063 0.569 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -14.782 -1.955 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -14.701 -2.244 0.219 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -16.864 -3.527 0.097 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -16.920 -3.254 -1.634 1.00 0.00 H new ATOM 1985 N LEU B 32 -15.117 0.896 -1.428 1.00 0.00 N ATOM 1986 CA LEU B 32 -14.309 2.134 -1.407 1.00 0.00 C ATOM 1987 C LEU B 32 -15.137 3.250 -0.764 1.00 0.00 C ATOM 1988 O LEU B 32 -14.774 3.782 0.262 1.00 0.00 O ATOM 1989 CB LEU B 32 -13.888 2.498 -2.854 1.00 0.00 C ATOM 1990 CG LEU B 32 -12.403 2.903 -2.909 1.00 0.00 C ATOM 1991 CD1 LEU B 32 -11.947 2.996 -4.370 1.00 0.00 C ATOM 1992 CD2 LEU B 32 -12.220 4.262 -2.227 1.00 0.00 C ATOM 0 H LEU B 32 -15.356 0.542 -2.354 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.401 1.993 -0.820 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -14.062 1.647 -3.512 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -14.506 3.317 -3.222 1.00 0.00 H new ATOM 0 HG LEU B 32 -11.804 2.153 -2.393 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.896 3.283 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -12.076 2.028 -4.854 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -12.545 3.744 -4.891 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -11.169 4.550 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -12.821 5.012 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.540 4.193 -1.187 1.00 0.00 H new ATOM 2004 N LYS B 33 -16.249 3.601 -1.336 1.00 0.00 N ATOM 2005 CA LYS B 33 -17.075 4.673 -0.735 1.00 0.00 C ATOM 2006 C LYS B 33 -17.496 4.278 0.683 1.00 0.00 C ATOM 2007 O LYS B 33 -17.593 5.112 1.561 1.00 0.00 O ATOM 2008 CB LYS B 33 -18.296 4.870 -1.618 1.00 0.00 C ATOM 2009 CG LYS B 33 -19.090 6.092 -1.159 1.00 0.00 C ATOM 2010 CD LYS B 33 -20.317 6.274 -2.071 1.00 0.00 C ATOM 2011 CE LYS B 33 -21.509 5.481 -1.520 1.00 0.00 C ATOM 2012 NZ LYS B 33 -22.553 5.356 -2.574 1.00 0.00 N ATOM 0 H LYS B 33 -16.621 3.192 -2.193 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.508 5.601 -0.669 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -17.986 4.997 -2.655 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -18.927 3.982 -1.581 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -19.407 5.966 -0.124 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -18.462 6.982 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -20.575 7.331 -2.140 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -20.082 5.937 -3.081 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -21.183 4.492 -1.197 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -21.920 5.983 -0.644 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -23.361 4.818 -2.200 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -22.871 6.303 -2.862 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -22.157 4.859 -3.397 1.00 0.00 H new ATOM 2026 N GLU B 34 -17.751 3.019 0.923 1.00 0.00 N ATOM 2027 CA GLU B 34 -18.168 2.611 2.298 1.00 0.00 C ATOM 2028 C GLU B 34 -16.946 2.580 3.211 1.00 0.00 C ATOM 2029 O GLU B 34 -17.027 2.873 4.387 1.00 0.00 O ATOM 2030 CB GLU B 34 -18.815 1.228 2.271 1.00 0.00 C ATOM 2031 CG GLU B 34 -19.325 0.881 3.672 1.00 0.00 C ATOM 2032 CD GLU B 34 -20.188 -0.380 3.604 1.00 0.00 C ATOM 2033 OE1 GLU B 34 -21.067 -0.427 2.759 1.00 0.00 O ATOM 2034 OE2 GLU B 34 -19.955 -1.276 4.399 1.00 0.00 O ATOM 0 H GLU B 34 -17.690 2.265 0.239 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.894 3.333 2.674 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.639 1.213 1.557 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -18.093 0.482 1.939 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -18.484 0.723 4.348 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -19.906 1.711 4.075 1.00 0.00 H new ATOM 2041 N LEU B 35 -15.813 2.232 2.676 1.00 0.00 N ATOM 2042 CA LEU B 35 -14.583 2.186 3.507 1.00 0.00 C ATOM 2043 C LEU B 35 -14.126 3.620 3.792 1.00 0.00 C ATOM 2044 O LEU B 35 -13.575 3.916 4.833 1.00 0.00 O ATOM 2045 CB LEU B 35 -13.494 1.425 2.745 1.00 0.00 C ATOM 2046 CG LEU B 35 -12.169 1.462 3.522 1.00 0.00 C ATOM 2047 CD1 LEU B 35 -12.363 0.890 4.931 1.00 0.00 C ATOM 2048 CD2 LEU B 35 -11.128 0.626 2.772 1.00 0.00 C ATOM 0 H LEU B 35 -15.685 1.977 1.697 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.779 1.677 4.450 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.804 0.391 2.592 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.356 1.866 1.758 1.00 0.00 H new ATOM 0 HG LEU B 35 -11.830 2.495 3.606 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -11.416 0.922 5.470 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -13.105 1.483 5.465 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -12.705 -0.142 4.861 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -10.184 0.647 3.316 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -11.478 -0.403 2.691 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -10.980 1.039 1.774 1.00 0.00 H new ATOM 2060 N ILE B 36 -14.358 4.511 2.867 1.00 0.00 N ATOM 2061 CA ILE B 36 -13.949 5.930 3.067 1.00 0.00 C ATOM 2062 C ILE B 36 -14.761 6.538 4.215 1.00 0.00 C ATOM 2063 O ILE B 36 -14.253 7.278 5.034 1.00 0.00 O ATOM 2064 CB ILE B 36 -14.217 6.717 1.774 1.00 0.00 C ATOM 2065 CG1 ILE B 36 -13.409 6.084 0.589 1.00 0.00 C ATOM 2066 CG2 ILE B 36 -13.839 8.189 1.995 1.00 0.00 C ATOM 2067 CD1 ILE B 36 -12.225 6.957 0.155 1.00 0.00 C ATOM 0 H ILE B 36 -14.816 4.316 1.977 1.00 0.00 H new ATOM 0 HA ILE B 36 -12.888 5.977 3.312 1.00 0.00 H new ATOM 0 HB ILE B 36 -15.275 6.669 1.515 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -13.042 5.102 0.887 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -14.075 5.932 -0.260 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -14.026 8.754 1.082 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -14.439 8.601 2.806 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -12.783 8.258 2.254 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -11.699 6.473 -0.668 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -12.591 7.931 -0.170 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -11.542 7.088 0.995 1.00 0.00 H new ATOM 2079 N ASN B 37 -16.031 6.250 4.250 1.00 0.00 N ATOM 2080 CA ASN B 37 -16.916 6.824 5.308 1.00 0.00 C ATOM 2081 C ASN B 37 -16.808 6.052 6.638 1.00 0.00 C ATOM 2082 O ASN B 37 -17.166 6.568 7.678 1.00 0.00 O ATOM 2083 CB ASN B 37 -18.366 6.780 4.824 1.00 0.00 C ATOM 2084 CG ASN B 37 -18.528 7.700 3.611 1.00 0.00 C ATOM 2085 OD1 ASN B 37 -17.817 7.568 2.636 1.00 0.00 O ATOM 2086 ND2 ASN B 37 -19.441 8.633 3.632 1.00 0.00 N ATOM 0 H ASN B 37 -16.501 5.636 3.585 1.00 0.00 H new ATOM 0 HA ASN B 37 -16.595 7.850 5.490 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -18.641 5.759 4.559 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -19.037 7.093 5.624 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -19.557 9.251 2.829 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -20.038 8.744 4.451 1.00 0.00 H new ATOM 2093 N ASN B 38 -16.377 4.814 6.624 1.00 0.00 N ATOM 2094 CA ASN B 38 -16.323 4.026 7.906 1.00 0.00 C ATOM 2095 C ASN B 38 -14.944 4.081 8.582 1.00 0.00 C ATOM 2096 O ASN B 38 -14.840 3.870 9.774 1.00 0.00 O ATOM 2097 CB ASN B 38 -16.662 2.566 7.600 1.00 0.00 C ATOM 2098 CG ASN B 38 -18.124 2.462 7.164 1.00 0.00 C ATOM 2099 OD1 ASN B 38 -18.860 3.539 7.135 1.00 0.00 O flip ATOM 2100 ND2 ASN B 38 -18.600 1.391 6.847 1.00 0.00 N flip ATOM 0 H ASN B 38 -16.062 4.315 5.792 1.00 0.00 H new ATOM 0 HA ASN B 38 -17.043 4.470 8.594 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -16.009 2.187 6.814 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -16.490 1.949 8.482 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -18.024 0.550 6.870 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -19.576 1.332 6.558 1.00 0.00 H new ATOM 2107 N GLU B 39 -13.892 4.348 7.853 1.00 0.00 N ATOM 2108 CA GLU B 39 -12.526 4.399 8.486 1.00 0.00 C ATOM 2109 C GLU B 39 -11.809 5.680 8.078 1.00 0.00 C ATOM 2110 O GLU B 39 -11.295 6.404 8.906 1.00 0.00 O ATOM 2111 CB GLU B 39 -11.704 3.192 8.028 1.00 0.00 C ATOM 2112 CG GLU B 39 -12.342 1.908 8.568 1.00 0.00 C ATOM 2113 CD GLU B 39 -11.366 0.741 8.414 1.00 0.00 C ATOM 2114 OE1 GLU B 39 -10.171 0.988 8.409 1.00 0.00 O ATOM 2115 OE2 GLU B 39 -11.829 -0.383 8.304 1.00 0.00 O ATOM 0 H GLU B 39 -13.912 4.533 6.850 1.00 0.00 H new ATOM 0 HA GLU B 39 -12.637 4.379 9.570 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.660 3.160 6.939 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.678 3.280 8.386 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.607 2.036 9.617 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -13.265 1.695 8.029 1.00 0.00 H new ATOM 2122 N LEU B 40 -11.768 5.969 6.812 1.00 0.00 N ATOM 2123 CA LEU B 40 -11.079 7.207 6.361 1.00 0.00 C ATOM 2124 C LEU B 40 -12.053 8.385 6.501 1.00 0.00 C ATOM 2125 O LEU B 40 -11.971 9.358 5.783 1.00 0.00 O ATOM 2126 CB LEU B 40 -10.621 7.050 4.892 1.00 0.00 C ATOM 2127 CG LEU B 40 -10.364 5.568 4.554 1.00 0.00 C ATOM 2128 CD1 LEU B 40 -9.909 5.452 3.093 1.00 0.00 C ATOM 2129 CD2 LEU B 40 -9.270 4.996 5.470 1.00 0.00 C ATOM 0 H LEU B 40 -12.180 5.404 6.070 1.00 0.00 H new ATOM 0 HA LEU B 40 -10.196 7.391 6.973 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -11.382 7.453 4.224 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.712 7.628 4.726 1.00 0.00 H new ATOM 0 HG LEU B 40 -11.286 5.005 4.704 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -9.726 4.405 2.851 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -10.686 5.846 2.438 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.991 6.023 2.951 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -9.098 3.949 5.221 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.347 5.559 5.330 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -9.588 5.074 6.510 1.00 0.00 H new ATOM 2141 N SER B 41 -12.979 8.307 7.422 1.00 0.00 N ATOM 2142 CA SER B 41 -13.950 9.424 7.598 1.00 0.00 C ATOM 2143 C SER B 41 -13.325 10.542 8.438 1.00 0.00 C ATOM 2144 O SER B 41 -13.806 11.658 8.447 1.00 0.00 O ATOM 2145 CB SER B 41 -15.200 8.900 8.308 1.00 0.00 C ATOM 2146 OG SER B 41 -15.799 9.953 9.050 1.00 0.00 O ATOM 0 H SER B 41 -13.103 7.519 8.058 1.00 0.00 H new ATOM 0 HA SER B 41 -14.216 9.821 6.618 1.00 0.00 H new ATOM 0 HB2 SER B 41 -15.908 8.506 7.578 1.00 0.00 H new ATOM 0 HB3 SER B 41 -14.936 8.077 8.972 1.00 0.00 H new ATOM 0 HG SER B 41 -16.601 9.619 9.504 1.00 0.00 H new ATOM 2152 N HIS B 42 -12.259 10.262 9.147 1.00 0.00 N ATOM 2153 CA HIS B 42 -11.613 11.321 9.988 1.00 0.00 C ATOM 2154 C HIS B 42 -10.422 11.917 9.233 1.00 0.00 C ATOM 2155 O HIS B 42 -9.928 12.972 9.577 1.00 0.00 O ATOM 2156 CB HIS B 42 -11.116 10.699 11.298 1.00 0.00 C ATOM 2157 CG HIS B 42 -12.288 10.428 12.202 1.00 0.00 C ATOM 2158 ND1 HIS B 42 -12.776 9.146 12.416 1.00 0.00 N ATOM 2159 CD2 HIS B 42 -13.078 11.261 12.955 1.00 0.00 C ATOM 2160 CE1 HIS B 42 -13.815 9.245 13.267 1.00 0.00 C ATOM 2161 NE2 HIS B 42 -14.039 10.510 13.623 1.00 0.00 N ATOM 0 H HIS B 42 -11.808 9.348 9.181 1.00 0.00 H new ATOM 0 HA HIS B 42 -12.340 12.104 10.204 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -10.580 9.772 11.092 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -10.413 11.372 11.789 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -12.970 12.334 13.019 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -14.395 8.404 13.618 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -14.763 10.855 14.253 1.00 0.00 H new ATOM 2170 N PHE B 43 -9.957 11.243 8.210 1.00 0.00 N ATOM 2171 CA PHE B 43 -8.791 11.753 7.419 1.00 0.00 C ATOM 2172 C PHE B 43 -9.258 12.142 6.016 1.00 0.00 C ATOM 2173 O PHE B 43 -8.751 13.073 5.421 1.00 0.00 O ATOM 2174 CB PHE B 43 -7.731 10.654 7.324 1.00 0.00 C ATOM 2175 CG PHE B 43 -7.045 10.502 8.664 1.00 0.00 C ATOM 2176 CD1 PHE B 43 -7.739 9.940 9.744 1.00 0.00 C ATOM 2177 CD2 PHE B 43 -5.720 10.927 8.829 1.00 0.00 C ATOM 2178 CE1 PHE B 43 -7.108 9.801 10.986 1.00 0.00 C ATOM 2179 CE2 PHE B 43 -5.090 10.787 10.072 1.00 0.00 C ATOM 2180 CZ PHE B 43 -5.785 10.225 11.150 1.00 0.00 C ATOM 0 H PHE B 43 -10.338 10.354 7.886 1.00 0.00 H new ATOM 0 HA PHE B 43 -8.366 12.628 7.911 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -8.193 9.712 7.031 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -7.000 10.904 6.555 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -8.761 9.614 9.618 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -5.185 11.362 7.998 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -7.643 9.366 11.818 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -4.068 11.113 10.199 1.00 0.00 H new ATOM 0 HZ PHE B 43 -5.299 10.119 12.109 1.00 0.00 H new ATOM 2190 N LEU B 44 -10.228 11.438 5.484 1.00 0.00 N ATOM 2191 CA LEU B 44 -10.746 11.763 4.116 1.00 0.00 C ATOM 2192 C LEU B 44 -12.095 12.483 4.267 1.00 0.00 C ATOM 2193 O LEU B 44 -12.956 12.054 5.011 1.00 0.00 O ATOM 2194 CB LEU B 44 -10.920 10.444 3.315 1.00 0.00 C ATOM 2195 CG LEU B 44 -10.059 10.430 2.034 1.00 0.00 C ATOM 2196 CD1 LEU B 44 -10.522 11.524 1.059 1.00 0.00 C ATOM 2197 CD2 LEU B 44 -8.568 10.623 2.387 1.00 0.00 C ATOM 0 H LEU B 44 -10.686 10.649 5.940 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.050 12.409 3.581 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -10.647 9.598 3.945 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.969 10.317 3.048 1.00 0.00 H new ATOM 0 HG LEU B 44 -10.181 9.462 1.549 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.903 11.498 0.162 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -11.563 11.351 0.786 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -10.429 12.500 1.536 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -7.973 10.611 1.474 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.435 11.579 2.894 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -8.242 9.816 3.043 1.00 0.00 H new ATOM 2209 N GLU B 45 -12.286 13.572 3.572 1.00 0.00 N ATOM 2210 CA GLU B 45 -13.578 14.308 3.686 1.00 0.00 C ATOM 2211 C GLU B 45 -14.735 13.324 3.510 1.00 0.00 C ATOM 2212 O GLU B 45 -14.714 12.483 2.634 1.00 0.00 O ATOM 2213 CB GLU B 45 -13.656 15.384 2.599 1.00 0.00 C ATOM 2214 CG GLU B 45 -12.743 16.556 2.966 1.00 0.00 C ATOM 2215 CD GLU B 45 -11.285 16.093 2.954 1.00 0.00 C ATOM 2216 OE1 GLU B 45 -10.973 15.205 2.178 1.00 0.00 O ATOM 2217 OE2 GLU B 45 -10.506 16.635 3.720 1.00 0.00 O ATOM 0 H GLU B 45 -11.606 13.983 2.932 1.00 0.00 H new ATOM 0 HA GLU B 45 -13.642 14.781 4.666 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -13.358 14.966 1.638 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -14.684 15.731 2.491 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -12.881 17.374 2.259 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -13.005 16.940 3.952 1.00 0.00 H new ATOM 2224 N GLU B 46 -15.740 13.420 4.337 1.00 0.00 N ATOM 2225 CA GLU B 46 -16.897 12.488 4.223 1.00 0.00 C ATOM 2226 C GLU B 46 -17.343 12.393 2.760 1.00 0.00 C ATOM 2227 O GLU B 46 -18.177 13.150 2.304 1.00 0.00 O ATOM 2228 CB GLU B 46 -18.055 13.008 5.084 1.00 0.00 C ATOM 2229 CG GLU B 46 -18.133 14.535 4.970 1.00 0.00 C ATOM 2230 CD GLU B 46 -19.499 15.017 5.462 1.00 0.00 C ATOM 2231 OE1 GLU B 46 -20.410 15.079 4.654 1.00 0.00 O ATOM 2232 OE2 GLU B 46 -19.611 15.317 6.640 1.00 0.00 O ATOM 0 H GLU B 46 -15.810 14.106 5.089 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.601 11.498 4.571 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -18.994 12.560 4.758 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -17.907 12.718 6.124 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -17.340 14.995 5.560 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -17.979 14.841 3.935 1.00 0.00 H new ATOM 2239 N ILE B 47 -16.799 11.466 2.022 1.00 0.00 N ATOM 2240 CA ILE B 47 -17.199 11.323 0.596 1.00 0.00 C ATOM 2241 C ILE B 47 -18.635 10.796 0.545 1.00 0.00 C ATOM 2242 O ILE B 47 -18.945 9.757 1.095 1.00 0.00 O ATOM 2243 CB ILE B 47 -16.224 10.350 -0.102 1.00 0.00 C ATOM 2244 CG1 ILE B 47 -14.909 11.098 -0.402 1.00 0.00 C ATOM 2245 CG2 ILE B 47 -16.824 9.813 -1.412 1.00 0.00 C ATOM 2246 CD1 ILE B 47 -13.893 10.184 -1.112 1.00 0.00 C ATOM 0 H ILE B 47 -16.095 10.802 2.345 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.157 12.282 0.080 1.00 0.00 H new ATOM 0 HB ILE B 47 -16.037 9.502 0.556 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -15.117 11.967 -1.026 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -14.479 11.469 0.528 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -16.117 9.130 -1.883 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -17.752 9.283 -1.197 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -17.029 10.645 -2.086 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -12.977 10.742 -1.309 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -13.667 9.328 -0.476 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -14.315 9.834 -2.054 1.00 0.00 H new ATOM 2258 N LYS B 48 -19.511 11.509 -0.119 1.00 0.00 N ATOM 2259 CA LYS B 48 -20.940 11.072 -0.229 1.00 0.00 C ATOM 2260 C LYS B 48 -21.278 10.884 -1.705 1.00 0.00 C ATOM 2261 O LYS B 48 -22.263 10.266 -2.055 1.00 0.00 O ATOM 2262 CB LYS B 48 -21.850 12.144 0.373 1.00 0.00 C ATOM 2263 CG LYS B 48 -21.435 13.523 -0.142 1.00 0.00 C ATOM 2264 CD LYS B 48 -22.396 14.579 0.407 1.00 0.00 C ATOM 2265 CE LYS B 48 -21.972 15.966 -0.081 1.00 0.00 C ATOM 2266 NZ LYS B 48 -20.754 16.403 0.659 1.00 0.00 N ATOM 0 H LYS B 48 -19.296 12.385 -0.595 1.00 0.00 H new ATOM 0 HA LYS B 48 -21.088 10.136 0.310 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -22.888 11.944 0.108 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -21.788 12.118 1.461 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -20.414 13.747 0.168 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -21.447 13.535 -1.232 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -23.413 14.363 0.081 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -22.398 14.551 1.497 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -21.770 15.940 -1.152 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -22.780 16.680 0.074 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -20.593 17.417 0.495 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -20.887 16.234 1.677 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -19.931 15.863 0.323 1.00 0.00 H new ATOM 2280 N GLU B 49 -20.446 11.403 -2.574 1.00 0.00 N ATOM 2281 CA GLU B 49 -20.678 11.254 -4.042 1.00 0.00 C ATOM 2282 C GLU B 49 -19.679 10.231 -4.581 1.00 0.00 C ATOM 2283 O GLU B 49 -18.528 10.214 -4.197 1.00 0.00 O ATOM 2284 CB GLU B 49 -20.456 12.608 -4.737 1.00 0.00 C ATOM 2285 CG GLU B 49 -21.735 13.448 -4.658 1.00 0.00 C ATOM 2286 CD GLU B 49 -22.795 12.848 -5.583 1.00 0.00 C ATOM 2287 OE1 GLU B 49 -22.773 13.164 -6.762 1.00 0.00 O ATOM 2288 OE2 GLU B 49 -23.611 12.082 -5.097 1.00 0.00 O ATOM 0 H GLU B 49 -19.608 11.929 -2.325 1.00 0.00 H new ATOM 0 HA GLU B 49 -21.698 10.922 -4.233 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -19.631 13.140 -4.263 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -20.177 12.451 -5.779 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -22.104 13.473 -3.633 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -21.525 14.478 -4.947 1.00 0.00 H new ATOM 2295 N GLN B 50 -20.109 9.374 -5.460 1.00 0.00 N ATOM 2296 CA GLN B 50 -19.181 8.352 -6.014 1.00 0.00 C ATOM 2297 C GLN B 50 -18.308 8.990 -7.098 1.00 0.00 C ATOM 2298 O GLN B 50 -17.239 8.510 -7.412 1.00 0.00 O ATOM 2299 CB GLN B 50 -19.996 7.209 -6.622 1.00 0.00 C ATOM 2300 CG GLN B 50 -21.133 7.791 -7.468 1.00 0.00 C ATOM 2301 CD GLN B 50 -21.752 6.686 -8.327 1.00 0.00 C ATOM 2302 OE1 GLN B 50 -22.319 5.745 -7.810 1.00 0.00 O ATOM 2303 NE2 GLN B 50 -21.666 6.762 -9.627 1.00 0.00 N ATOM 0 H GLN B 50 -21.063 9.336 -5.819 1.00 0.00 H new ATOM 0 HA GLN B 50 -18.544 7.965 -5.218 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -19.355 6.578 -7.238 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -20.402 6.577 -5.832 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -21.892 8.231 -6.821 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -20.754 8.591 -8.104 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -21.190 7.553 -10.061 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -22.075 6.031 -10.209 1.00 0.00 H new ATOM 2312 N GLU B 51 -18.769 10.055 -7.689 1.00 0.00 N ATOM 2313 CA GLU B 51 -17.991 10.712 -8.771 1.00 0.00 C ATOM 2314 C GLU B 51 -16.524 10.839 -8.389 1.00 0.00 C ATOM 2315 O GLU B 51 -15.650 10.647 -9.210 1.00 0.00 O ATOM 2316 CB GLU B 51 -18.575 12.096 -9.058 1.00 0.00 C ATOM 2317 CG GLU B 51 -19.925 11.945 -9.765 1.00 0.00 C ATOM 2318 CD GLU B 51 -20.622 13.305 -9.836 1.00 0.00 C ATOM 2319 OE1 GLU B 51 -20.160 14.220 -9.176 1.00 0.00 O ATOM 2320 OE2 GLU B 51 -21.605 13.407 -10.550 1.00 0.00 O ATOM 0 H GLU B 51 -19.659 10.501 -7.466 1.00 0.00 H new ATOM 0 HA GLU B 51 -18.058 10.094 -9.666 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -18.700 12.650 -8.127 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -17.889 12.670 -9.681 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -19.779 11.547 -10.769 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -20.551 11.232 -9.228 1.00 0.00 H new ATOM 2327 N VAL B 52 -16.224 11.133 -7.161 1.00 0.00 N ATOM 2328 CA VAL B 52 -14.792 11.230 -6.781 1.00 0.00 C ATOM 2329 C VAL B 52 -14.248 9.821 -6.693 1.00 0.00 C ATOM 2330 O VAL B 52 -13.136 9.542 -7.094 1.00 0.00 O ATOM 2331 CB VAL B 52 -14.644 11.938 -5.432 1.00 0.00 C ATOM 2332 CG1 VAL B 52 -15.305 13.316 -5.499 1.00 0.00 C ATOM 2333 CG2 VAL B 52 -15.321 11.104 -4.344 1.00 0.00 C ATOM 0 H VAL B 52 -16.895 11.308 -6.413 1.00 0.00 H new ATOM 0 HA VAL B 52 -14.241 11.809 -7.522 1.00 0.00 H new ATOM 0 HB VAL B 52 -13.586 12.055 -5.199 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -15.198 13.818 -4.537 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -14.825 13.912 -6.275 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -16.363 13.201 -5.733 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -15.217 11.607 -3.382 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -16.379 10.988 -4.580 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -14.851 10.122 -4.293 1.00 0.00 H new ATOM 2343 N VAL B 53 -15.034 8.921 -6.192 1.00 0.00 N ATOM 2344 CA VAL B 53 -14.572 7.518 -6.102 1.00 0.00 C ATOM 2345 C VAL B 53 -14.358 7.042 -7.534 1.00 0.00 C ATOM 2346 O VAL B 53 -13.574 6.157 -7.802 1.00 0.00 O ATOM 2347 CB VAL B 53 -15.630 6.675 -5.327 1.00 0.00 C ATOM 2348 CG1 VAL B 53 -16.399 5.712 -6.244 1.00 0.00 C ATOM 2349 CG2 VAL B 53 -14.953 5.862 -4.217 1.00 0.00 C ATOM 0 H VAL B 53 -15.976 9.095 -5.841 1.00 0.00 H new ATOM 0 HA VAL B 53 -13.638 7.414 -5.549 1.00 0.00 H new ATOM 0 HB VAL B 53 -16.341 7.383 -4.902 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -17.123 5.149 -5.655 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -16.921 6.281 -7.013 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -15.699 5.022 -6.715 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -15.704 5.278 -3.684 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -14.215 5.190 -4.656 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -14.458 6.539 -3.521 1.00 0.00 H new ATOM 2359 N ASP B 54 -15.043 7.656 -8.459 1.00 0.00 N ATOM 2360 CA ASP B 54 -14.873 7.272 -9.881 1.00 0.00 C ATOM 2361 C ASP B 54 -13.574 7.898 -10.381 1.00 0.00 C ATOM 2362 O ASP B 54 -12.852 7.321 -11.167 1.00 0.00 O ATOM 2363 CB ASP B 54 -16.049 7.797 -10.707 1.00 0.00 C ATOM 2364 CG ASP B 54 -15.970 7.228 -12.125 1.00 0.00 C ATOM 2365 OD1 ASP B 54 -14.888 7.238 -12.687 1.00 0.00 O ATOM 2366 OD2 ASP B 54 -16.994 6.790 -12.624 1.00 0.00 O ATOM 0 H ASP B 54 -15.712 8.407 -8.288 1.00 0.00 H new ATOM 0 HA ASP B 54 -14.839 6.187 -9.979 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -16.992 7.510 -10.241 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -16.027 8.886 -10.739 1.00 0.00 H new ATOM 2371 N LYS B 55 -13.272 9.079 -9.914 1.00 0.00 N ATOM 2372 CA LYS B 55 -12.014 9.752 -10.346 1.00 0.00 C ATOM 2373 C LYS B 55 -10.824 9.127 -9.609 1.00 0.00 C ATOM 2374 O LYS B 55 -9.844 8.741 -10.210 1.00 0.00 O ATOM 2375 CB LYS B 55 -12.087 11.248 -10.014 1.00 0.00 C ATOM 2376 CG LYS B 55 -10.834 11.988 -10.566 1.00 0.00 C ATOM 2377 CD LYS B 55 -10.219 12.897 -9.487 1.00 0.00 C ATOM 2378 CE LYS B 55 -9.383 12.064 -8.508 1.00 0.00 C ATOM 2379 NZ LYS B 55 -8.348 11.299 -9.258 1.00 0.00 N ATOM 0 H LYS B 55 -13.842 9.607 -9.252 1.00 0.00 H new ATOM 0 HA LYS B 55 -11.888 9.626 -11.421 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.991 11.679 -10.445 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -12.152 11.385 -8.935 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -10.094 11.261 -10.901 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.111 12.584 -11.436 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -9.594 13.658 -9.955 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -11.009 13.420 -8.948 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -8.908 12.715 -7.775 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -10.027 11.379 -7.956 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -7.439 11.363 -8.757 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -8.636 10.302 -9.328 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -8.246 11.698 -10.213 1.00 0.00 H new ATOM 2393 N VAL B 56 -10.897 9.015 -8.313 1.00 0.00 N ATOM 2394 CA VAL B 56 -9.765 8.404 -7.566 1.00 0.00 C ATOM 2395 C VAL B 56 -9.463 7.041 -8.197 1.00 0.00 C ATOM 2396 O VAL B 56 -8.322 6.663 -8.383 1.00 0.00 O ATOM 2397 CB VAL B 56 -10.157 8.269 -6.075 1.00 0.00 C ATOM 2398 CG1 VAL B 56 -10.934 6.971 -5.825 1.00 0.00 C ATOM 2399 CG2 VAL B 56 -8.901 8.268 -5.200 1.00 0.00 C ATOM 0 H VAL B 56 -11.686 9.318 -7.742 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.870 9.024 -7.620 1.00 0.00 H new ATOM 0 HB VAL B 56 -10.791 9.118 -5.819 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -11.197 6.902 -4.769 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -11.843 6.970 -6.426 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -10.315 6.117 -6.101 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -9.187 8.173 -4.153 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -8.263 7.429 -5.480 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -8.357 9.201 -5.344 1.00 0.00 H new ATOM 2409 N MET B 57 -10.489 6.312 -8.540 1.00 0.00 N ATOM 2410 CA MET B 57 -10.287 4.982 -9.175 1.00 0.00 C ATOM 2411 C MET B 57 -9.617 5.160 -10.541 1.00 0.00 C ATOM 2412 O MET B 57 -8.831 4.338 -10.967 1.00 0.00 O ATOM 2413 CB MET B 57 -11.649 4.301 -9.357 1.00 0.00 C ATOM 2414 CG MET B 57 -12.214 3.879 -7.993 1.00 0.00 C ATOM 2415 SD MET B 57 -11.609 2.222 -7.574 1.00 0.00 S ATOM 2416 CE MET B 57 -13.132 1.317 -7.946 1.00 0.00 C ATOM 0 H MET B 57 -11.463 6.583 -8.406 1.00 0.00 H new ATOM 0 HA MET B 57 -9.649 4.366 -8.541 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.342 4.982 -9.851 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.545 3.429 -10.002 1.00 0.00 H new ATOM 0 HG2 MET B 57 -11.912 4.592 -7.226 1.00 0.00 H new ATOM 0 HG3 MET B 57 -13.304 3.883 -8.022 1.00 0.00 H new ATOM 0 HE1 MET B 57 -12.945 0.246 -7.874 1.00 0.00 H new ATOM 0 HE2 MET B 57 -13.906 1.599 -7.233 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.463 1.561 -8.956 1.00 0.00 H new ATOM 2426 N GLU B 58 -9.918 6.228 -11.230 1.00 0.00 N ATOM 2427 CA GLU B 58 -9.291 6.452 -12.567 1.00 0.00 C ATOM 2428 C GLU B 58 -7.788 6.633 -12.389 1.00 0.00 C ATOM 2429 O GLU B 58 -6.997 6.197 -13.203 1.00 0.00 O ATOM 2430 CB GLU B 58 -9.889 7.707 -13.223 1.00 0.00 C ATOM 2431 CG GLU B 58 -11.268 7.380 -13.814 1.00 0.00 C ATOM 2432 CD GLU B 58 -11.107 6.735 -15.193 1.00 0.00 C ATOM 2433 OE1 GLU B 58 -10.337 7.256 -15.983 1.00 0.00 O ATOM 2434 OE2 GLU B 58 -11.758 5.732 -15.436 1.00 0.00 O ATOM 0 H GLU B 58 -10.568 6.953 -10.927 1.00 0.00 H new ATOM 0 HA GLU B 58 -9.485 5.592 -13.208 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -9.979 8.505 -12.486 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.224 8.070 -14.007 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -11.807 6.706 -13.149 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.863 8.290 -13.896 1.00 0.00 H new ATOM 2441 N THR B 59 -7.385 7.272 -11.331 1.00 0.00 N ATOM 2442 CA THR B 59 -5.930 7.477 -11.100 1.00 0.00 C ATOM 2443 C THR B 59 -5.323 6.211 -10.506 1.00 0.00 C ATOM 2444 O THR B 59 -4.163 5.913 -10.713 1.00 0.00 O ATOM 2445 CB THR B 59 -5.714 8.634 -10.124 1.00 0.00 C ATOM 2446 OG1 THR B 59 -6.227 9.834 -10.688 1.00 0.00 O ATOM 2447 CG2 THR B 59 -4.217 8.790 -9.852 1.00 0.00 C ATOM 0 H THR B 59 -7.999 7.662 -10.616 1.00 0.00 H new ATOM 0 HA THR B 59 -5.451 7.708 -12.052 1.00 0.00 H new ATOM 0 HB THR B 59 -6.234 8.427 -9.189 1.00 0.00 H new ATOM 0 HG1 THR B 59 -5.951 10.598 -10.139 1.00 0.00 H new ATOM 0 HG21 THR B 59 -4.058 9.614 -9.156 1.00 0.00 H new ATOM 0 HG22 THR B 59 -3.828 7.869 -9.418 1.00 0.00 H new ATOM 0 HG23 THR B 59 -3.697 8.999 -10.787 1.00 0.00 H new ATOM 2455 N LEU B 60 -6.087 5.469 -9.746 1.00 0.00 N ATOM 2456 CA LEU B 60 -5.526 4.230 -9.115 1.00 0.00 C ATOM 2457 C LEU B 60 -5.749 3.009 -10.015 1.00 0.00 C ATOM 2458 O LEU B 60 -4.860 2.199 -10.183 1.00 0.00 O ATOM 2459 CB LEU B 60 -6.204 3.994 -7.753 1.00 0.00 C ATOM 2460 CG LEU B 60 -5.412 4.680 -6.628 1.00 0.00 C ATOM 2461 CD1 LEU B 60 -4.012 4.036 -6.466 1.00 0.00 C ATOM 2462 CD2 LEU B 60 -5.272 6.175 -6.941 1.00 0.00 C ATOM 0 H LEU B 60 -7.066 5.662 -9.535 1.00 0.00 H new ATOM 0 HA LEU B 60 -4.454 4.368 -8.977 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -7.223 4.381 -7.776 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -6.274 2.924 -7.556 1.00 0.00 H new ATOM 0 HG LEU B 60 -5.953 4.553 -5.690 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -3.471 4.538 -5.664 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -4.124 2.980 -6.222 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -3.455 4.136 -7.398 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -4.711 6.663 -6.144 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -4.744 6.301 -7.886 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -6.262 6.625 -7.015 1.00 0.00 H new ATOM 2474 N ASP B 61 -6.906 2.847 -10.591 1.00 0.00 N ATOM 2475 CA ASP B 61 -7.127 1.654 -11.458 1.00 0.00 C ATOM 2476 C ASP B 61 -6.063 1.591 -12.539 1.00 0.00 C ATOM 2477 O ASP B 61 -6.017 2.400 -13.444 1.00 0.00 O ATOM 2478 CB ASP B 61 -8.503 1.733 -12.101 1.00 0.00 C ATOM 2479 CG ASP B 61 -9.574 1.767 -11.009 1.00 0.00 C ATOM 2480 OD1 ASP B 61 -9.206 1.856 -9.850 1.00 0.00 O ATOM 2481 OD2 ASP B 61 -10.742 1.696 -11.353 1.00 0.00 O ATOM 0 H ASP B 61 -7.701 3.480 -10.502 1.00 0.00 H new ATOM 0 HA ASP B 61 -7.065 0.755 -10.844 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -8.575 2.625 -12.724 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -8.661 0.875 -12.754 1.00 0.00 H new ATOM 2486 N GLU B 62 -5.210 0.615 -12.445 1.00 0.00 N ATOM 2487 CA GLU B 62 -4.133 0.455 -13.455 1.00 0.00 C ATOM 2488 C GLU B 62 -4.683 -0.367 -14.606 1.00 0.00 C ATOM 2489 O GLU B 62 -4.477 -0.060 -15.763 1.00 0.00 O ATOM 2490 CB GLU B 62 -2.941 -0.268 -12.819 1.00 0.00 C ATOM 2491 CG GLU B 62 -1.772 -0.320 -13.809 1.00 0.00 C ATOM 2492 CD GLU B 62 -2.027 -1.407 -14.856 1.00 0.00 C ATOM 2493 OE1 GLU B 62 -1.921 -2.573 -14.509 1.00 0.00 O ATOM 2494 OE2 GLU B 62 -2.325 -1.056 -15.985 1.00 0.00 O ATOM 0 H GLU B 62 -5.213 -0.086 -11.704 1.00 0.00 H new ATOM 0 HA GLU B 62 -3.800 1.428 -13.817 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -2.635 0.248 -11.909 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -3.230 -1.279 -12.531 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -1.654 0.647 -14.297 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -0.842 -0.525 -13.278 1.00 0.00 H new ATOM 2501 N ASP B 63 -5.404 -1.400 -14.294 1.00 0.00 N ATOM 2502 CA ASP B 63 -5.999 -2.235 -15.361 1.00 0.00 C ATOM 2503 C ASP B 63 -7.296 -1.571 -15.813 1.00 0.00 C ATOM 2504 O ASP B 63 -7.975 -2.052 -16.697 1.00 0.00 O ATOM 2505 CB ASP B 63 -6.297 -3.633 -14.808 1.00 0.00 C ATOM 2506 CG ASP B 63 -6.855 -3.510 -13.388 1.00 0.00 C ATOM 2507 OD1 ASP B 63 -7.359 -2.449 -13.057 1.00 0.00 O ATOM 2508 OD2 ASP B 63 -6.769 -4.482 -12.654 1.00 0.00 O ATOM 0 H ASP B 63 -5.607 -1.702 -13.341 1.00 0.00 H new ATOM 0 HA ASP B 63 -5.311 -2.328 -16.202 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -7.015 -4.144 -15.449 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -5.388 -4.235 -14.803 1.00 0.00 H new ATOM 2513 N GLY B 64 -7.658 -0.467 -15.201 1.00 0.00 N ATOM 2514 CA GLY B 64 -8.925 0.200 -15.604 1.00 0.00 C ATOM 2515 C GLY B 64 -10.045 -0.817 -15.448 1.00 0.00 C ATOM 2516 O GLY B 64 -10.908 -0.954 -16.294 1.00 0.00 O ATOM 0 H GLY B 64 -7.137 -0.010 -14.453 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -9.112 1.075 -14.982 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -8.864 0.548 -16.635 1.00 0.00 H new ATOM 2520 N ASP B 65 -10.018 -1.555 -14.370 1.00 0.00 N ATOM 2521 CA ASP B 65 -11.060 -2.599 -14.146 1.00 0.00 C ATOM 2522 C ASP B 65 -12.208 -2.019 -13.326 1.00 0.00 C ATOM 2523 O ASP B 65 -13.207 -2.670 -13.096 1.00 0.00 O ATOM 2524 CB ASP B 65 -10.440 -3.771 -13.385 1.00 0.00 C ATOM 2525 CG ASP B 65 -9.809 -3.259 -12.089 1.00 0.00 C ATOM 2526 OD1 ASP B 65 -9.849 -2.059 -11.869 1.00 0.00 O ATOM 2527 OD2 ASP B 65 -9.297 -4.073 -11.339 1.00 0.00 O ATOM 0 H ASP B 65 -9.317 -1.479 -13.633 1.00 0.00 H new ATOM 0 HA ASP B 65 -11.442 -2.940 -15.108 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -11.202 -4.517 -13.161 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -9.686 -4.261 -14.001 1.00 0.00 H new ATOM 2532 N GLY B 66 -12.076 -0.805 -12.871 1.00 0.00 N ATOM 2533 CA GLY B 66 -13.171 -0.212 -12.056 1.00 0.00 C ATOM 2534 C GLY B 66 -13.161 -0.878 -10.684 1.00 0.00 C ATOM 2535 O GLY B 66 -13.959 -0.575 -9.820 1.00 0.00 O ATOM 0 H GLY B 66 -11.267 -0.204 -13.026 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -13.030 0.864 -11.957 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -14.133 -0.364 -12.545 1.00 0.00 H new ATOM 2539 N GLU B 67 -12.242 -1.786 -10.485 1.00 0.00 N ATOM 2540 CA GLU B 67 -12.121 -2.500 -9.178 1.00 0.00 C ATOM 2541 C GLU B 67 -10.674 -2.369 -8.716 1.00 0.00 C ATOM 2542 O GLU B 67 -9.810 -2.016 -9.495 1.00 0.00 O ATOM 2543 CB GLU B 67 -12.471 -3.977 -9.362 1.00 0.00 C ATOM 2544 CG GLU B 67 -13.904 -4.099 -9.883 1.00 0.00 C ATOM 2545 CD GLU B 67 -14.277 -5.577 -10.008 1.00 0.00 C ATOM 2546 OE1 GLU B 67 -13.470 -6.405 -9.617 1.00 0.00 O ATOM 2547 OE2 GLU B 67 -15.360 -5.856 -10.493 1.00 0.00 O ATOM 0 H GLU B 67 -11.557 -2.068 -11.186 1.00 0.00 H new ATOM 0 HA GLU B 67 -12.801 -2.072 -8.442 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -11.777 -4.442 -10.062 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -12.371 -4.507 -8.415 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -14.593 -3.595 -9.205 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -13.993 -3.607 -10.852 1.00 0.00 H new ATOM 2554 N CYS B 68 -10.398 -2.618 -7.458 1.00 0.00 N ATOM 2555 CA CYS B 68 -8.992 -2.471 -6.958 1.00 0.00 C ATOM 2556 C CYS B 68 -8.509 -3.734 -6.235 1.00 0.00 C ATOM 2557 O CYS B 68 -8.851 -3.992 -5.088 1.00 0.00 O ATOM 2558 CB CYS B 68 -8.923 -1.282 -5.999 1.00 0.00 C ATOM 2559 SG CYS B 68 -9.221 0.251 -6.914 1.00 0.00 S ATOM 0 H CYS B 68 -11.079 -2.915 -6.759 1.00 0.00 H new ATOM 0 HA CYS B 68 -8.343 -2.309 -7.818 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -9.664 -1.396 -5.208 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -7.946 -1.246 -5.517 1.00 0.00 H new ATOM 0 HG CYS B 68 -8.262 0.438 -7.772 1.00 0.00 H new ATOM 2565 N ASP B 69 -7.723 -4.530 -6.915 1.00 0.00 N ATOM 2566 CA ASP B 69 -7.187 -5.773 -6.296 1.00 0.00 C ATOM 2567 C ASP B 69 -6.452 -5.385 -5.011 1.00 0.00 C ATOM 2568 O ASP B 69 -6.557 -4.269 -4.557 1.00 0.00 O ATOM 2569 CB ASP B 69 -6.221 -6.455 -7.275 1.00 0.00 C ATOM 2570 CG ASP B 69 -6.035 -7.922 -6.880 1.00 0.00 C ATOM 2571 OD1 ASP B 69 -5.329 -8.169 -5.917 1.00 0.00 O ATOM 2572 OD2 ASP B 69 -6.603 -8.771 -7.547 1.00 0.00 O ATOM 0 H ASP B 69 -7.430 -4.368 -7.878 1.00 0.00 H new ATOM 0 HA ASP B 69 -7.995 -6.468 -6.065 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -6.611 -6.389 -8.291 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -5.259 -5.942 -7.268 1.00 0.00 H new ATOM 2577 N PHE B 70 -5.723 -6.289 -4.412 1.00 0.00 N ATOM 2578 CA PHE B 70 -5.001 -5.952 -3.143 1.00 0.00 C ATOM 2579 C PHE B 70 -3.717 -5.151 -3.434 1.00 0.00 C ATOM 2580 O PHE B 70 -3.302 -4.324 -2.646 1.00 0.00 O ATOM 2581 CB PHE B 70 -4.651 -7.255 -2.378 1.00 0.00 C ATOM 2582 CG PHE B 70 -4.771 -8.454 -3.296 1.00 0.00 C ATOM 2583 CD1 PHE B 70 -5.993 -9.128 -3.407 1.00 0.00 C ATOM 2584 CD2 PHE B 70 -3.662 -8.893 -4.030 1.00 0.00 C ATOM 2585 CE1 PHE B 70 -6.107 -10.238 -4.253 1.00 0.00 C ATOM 2586 CE2 PHE B 70 -3.776 -10.004 -4.875 1.00 0.00 C ATOM 2587 CZ PHE B 70 -4.999 -10.675 -4.987 1.00 0.00 C ATOM 0 H PHE B 70 -5.594 -7.245 -4.743 1.00 0.00 H new ATOM 0 HA PHE B 70 -5.655 -5.334 -2.528 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.637 -7.191 -1.983 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.319 -7.374 -1.525 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -6.848 -8.792 -2.840 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -2.718 -8.375 -3.944 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -7.050 -10.757 -4.339 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -2.920 -10.343 -5.440 1.00 0.00 H new ATOM 0 HZ PHE B 70 -5.088 -11.530 -5.640 1.00 0.00 H new ATOM 2597 N GLN B 71 -3.077 -5.409 -4.537 1.00 0.00 N ATOM 2598 CA GLN B 71 -1.811 -4.691 -4.861 1.00 0.00 C ATOM 2599 C GLN B 71 -2.100 -3.220 -5.174 1.00 0.00 C ATOM 2600 O GLN B 71 -1.361 -2.327 -4.796 1.00 0.00 O ATOM 2601 CB GLN B 71 -1.155 -5.361 -6.077 1.00 0.00 C ATOM 2602 CG GLN B 71 0.137 -4.630 -6.428 1.00 0.00 C ATOM 2603 CD GLN B 71 0.958 -5.480 -7.401 1.00 0.00 C ATOM 2604 OE1 GLN B 71 1.329 -6.594 -7.087 1.00 0.00 O ATOM 2605 NE2 GLN B 71 1.260 -4.998 -8.576 1.00 0.00 N ATOM 0 H GLN B 71 -3.377 -6.091 -5.234 1.00 0.00 H new ATOM 0 HA GLN B 71 -1.139 -4.738 -4.004 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -0.945 -6.408 -5.859 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -1.837 -5.343 -6.927 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -0.090 -3.663 -6.876 1.00 0.00 H new ATOM 0 HG3 GLN B 71 0.714 -4.434 -5.524 1.00 0.00 H new ATOM 0 HE21 GLN B 71 0.948 -4.063 -8.839 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.807 -5.556 -9.231 1.00 0.00 H new ATOM 2614 N GLU B 72 -3.178 -2.960 -5.850 1.00 0.00 N ATOM 2615 CA GLU B 72 -3.539 -1.559 -6.201 1.00 0.00 C ATOM 2616 C GLU B 72 -4.374 -0.952 -5.070 1.00 0.00 C ATOM 2617 O GLU B 72 -4.224 0.204 -4.731 1.00 0.00 O ATOM 2618 CB GLU B 72 -4.332 -1.613 -7.516 1.00 0.00 C ATOM 2619 CG GLU B 72 -4.851 -0.221 -7.946 1.00 0.00 C ATOM 2620 CD GLU B 72 -6.099 -0.393 -8.813 1.00 0.00 C ATOM 2621 OE1 GLU B 72 -6.053 -1.199 -9.728 1.00 0.00 O ATOM 2622 OE2 GLU B 72 -7.078 0.287 -8.550 1.00 0.00 O ATOM 0 H GLU B 72 -3.835 -3.667 -6.180 1.00 0.00 H new ATOM 0 HA GLU B 72 -2.656 -0.933 -6.329 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -3.698 -2.021 -8.303 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -5.176 -2.293 -7.401 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -5.085 0.380 -7.067 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -4.079 0.312 -8.501 1.00 0.00 H new ATOM 2629 N PHE B 73 -5.254 -1.710 -4.487 1.00 0.00 N ATOM 2630 CA PHE B 73 -6.089 -1.151 -3.387 1.00 0.00 C ATOM 2631 C PHE B 73 -5.180 -0.544 -2.329 1.00 0.00 C ATOM 2632 O PHE B 73 -5.424 0.530 -1.826 1.00 0.00 O ATOM 2633 CB PHE B 73 -6.940 -2.268 -2.776 1.00 0.00 C ATOM 2634 CG PHE B 73 -7.570 -1.848 -1.461 1.00 0.00 C ATOM 2635 CD1 PHE B 73 -7.927 -0.511 -1.206 1.00 0.00 C ATOM 2636 CD2 PHE B 73 -7.814 -2.828 -0.491 1.00 0.00 C ATOM 2637 CE1 PHE B 73 -8.524 -0.171 0.013 1.00 0.00 C ATOM 2638 CE2 PHE B 73 -8.407 -2.480 0.724 1.00 0.00 C ATOM 2639 CZ PHE B 73 -8.762 -1.156 0.976 1.00 0.00 C ATOM 0 H PHE B 73 -5.433 -2.687 -4.720 1.00 0.00 H new ATOM 0 HA PHE B 73 -6.750 -0.377 -3.778 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -7.723 -2.553 -3.479 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.320 -3.150 -2.616 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -7.741 0.250 -1.949 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -7.543 -3.856 -0.683 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -8.801 0.854 0.210 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -8.591 -3.239 1.470 1.00 0.00 H new ATOM 0 HZ PHE B 73 -9.222 -0.891 1.917 1.00 0.00 H new ATOM 2649 N MET B 74 -4.120 -1.203 -1.997 1.00 0.00 N ATOM 2650 CA MET B 74 -3.206 -0.614 -0.993 1.00 0.00 C ATOM 2651 C MET B 74 -2.670 0.674 -1.606 1.00 0.00 C ATOM 2652 O MET B 74 -2.551 1.691 -0.954 1.00 0.00 O ATOM 2653 CB MET B 74 -2.067 -1.616 -0.697 1.00 0.00 C ATOM 2654 CG MET B 74 -2.089 -2.079 0.771 1.00 0.00 C ATOM 2655 SD MET B 74 -1.273 -0.832 1.808 1.00 0.00 S ATOM 2656 CE MET B 74 -0.050 -1.906 2.614 1.00 0.00 C ATOM 0 H MET B 74 -3.846 -2.112 -2.369 1.00 0.00 H new ATOM 0 HA MET B 74 -3.706 -0.400 -0.048 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.162 -2.481 -1.354 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.106 -1.152 -0.919 1.00 0.00 H new ATOM 0 HG2 MET B 74 -3.117 -2.227 1.102 1.00 0.00 H new ATOM 0 HG3 MET B 74 -1.581 -3.038 0.869 1.00 0.00 H new ATOM 0 HE1 MET B 74 0.346 -1.407 3.498 1.00 0.00 H new ATOM 0 HE2 MET B 74 -0.525 -2.842 2.908 1.00 0.00 H new ATOM 0 HE3 MET B 74 0.764 -2.115 1.920 1.00 0.00 H new ATOM 2666 N ALA B 75 -2.339 0.624 -2.865 1.00 0.00 N ATOM 2667 CA ALA B 75 -1.799 1.851 -3.519 1.00 0.00 C ATOM 2668 C ALA B 75 -2.741 3.029 -3.235 1.00 0.00 C ATOM 2669 O ALA B 75 -2.331 4.173 -3.239 1.00 0.00 O ATOM 2670 CB ALA B 75 -1.676 1.618 -5.027 1.00 0.00 C ATOM 0 H ALA B 75 -2.416 -0.199 -3.463 1.00 0.00 H new ATOM 0 HA ALA B 75 -0.811 2.080 -3.120 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -1.281 2.516 -5.503 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -1.001 0.782 -5.212 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -2.658 1.390 -5.441 1.00 0.00 H new ATOM 2676 N PHE B 76 -3.995 2.766 -2.971 1.00 0.00 N ATOM 2677 CA PHE B 76 -4.923 3.899 -2.674 1.00 0.00 C ATOM 2678 C PHE B 76 -4.585 4.445 -1.285 1.00 0.00 C ATOM 2679 O PHE B 76 -4.424 5.635 -1.099 1.00 0.00 O ATOM 2680 CB PHE B 76 -6.395 3.442 -2.730 1.00 0.00 C ATOM 2681 CG PHE B 76 -7.279 4.468 -2.041 1.00 0.00 C ATOM 2682 CD1 PHE B 76 -7.242 5.809 -2.446 1.00 0.00 C ATOM 2683 CD2 PHE B 76 -8.118 4.079 -0.987 1.00 0.00 C ATOM 2684 CE1 PHE B 76 -8.042 6.758 -1.799 1.00 0.00 C ATOM 2685 CE2 PHE B 76 -8.914 5.030 -0.339 1.00 0.00 C ATOM 2686 CZ PHE B 76 -8.876 6.369 -0.744 1.00 0.00 C ATOM 0 H PHE B 76 -4.411 1.835 -2.948 1.00 0.00 H new ATOM 0 HA PHE B 76 -4.797 4.678 -3.425 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.707 3.317 -3.767 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -6.503 2.472 -2.245 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -6.596 6.110 -3.257 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.150 3.045 -0.675 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -8.016 7.791 -2.114 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -9.558 4.730 0.474 1.00 0.00 H new ATOM 0 HZ PHE B 76 -9.490 7.102 -0.243 1.00 0.00 H new ATOM 2696 N VAL B 77 -4.454 3.586 -0.313 1.00 0.00 N ATOM 2697 CA VAL B 77 -4.101 4.067 1.051 1.00 0.00 C ATOM 2698 C VAL B 77 -2.807 4.870 0.955 1.00 0.00 C ATOM 2699 O VAL B 77 -2.607 5.854 1.639 1.00 0.00 O ATOM 2700 CB VAL B 77 -3.890 2.862 1.971 1.00 0.00 C ATOM 2701 CG1 VAL B 77 -3.250 3.317 3.285 1.00 0.00 C ATOM 2702 CG2 VAL B 77 -5.239 2.208 2.262 1.00 0.00 C ATOM 0 H VAL B 77 -4.575 2.577 -0.403 1.00 0.00 H new ATOM 0 HA VAL B 77 -4.899 4.690 1.454 1.00 0.00 H new ATOM 0 HB VAL B 77 -3.231 2.145 1.482 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -3.102 2.455 3.935 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -2.287 3.785 3.078 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -3.904 4.036 3.778 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -5.093 1.349 2.917 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -5.895 2.929 2.750 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -5.693 1.879 1.327 1.00 0.00 H new ATOM 2712 N SER B 78 -1.935 4.444 0.093 1.00 0.00 N ATOM 2713 CA SER B 78 -0.642 5.143 -0.098 1.00 0.00 C ATOM 2714 C SER B 78 -0.907 6.528 -0.671 1.00 0.00 C ATOM 2715 O SER B 78 -0.216 7.485 -0.382 1.00 0.00 O ATOM 2716 CB SER B 78 0.190 4.339 -1.085 1.00 0.00 C ATOM 2717 OG SER B 78 1.549 4.749 -1.001 1.00 0.00 O ATOM 0 H SER B 78 -2.067 3.624 -0.499 1.00 0.00 H new ATOM 0 HA SER B 78 -0.114 5.239 0.851 1.00 0.00 H new ATOM 0 HB2 SER B 78 0.106 3.275 -0.866 1.00 0.00 H new ATOM 0 HB3 SER B 78 -0.184 4.487 -2.098 1.00 0.00 H new ATOM 0 HG SER B 78 2.000 4.564 -1.851 1.00 0.00 H new ATOM 2723 N MET B 79 -1.918 6.631 -1.480 1.00 0.00 N ATOM 2724 CA MET B 79 -2.268 7.939 -2.089 1.00 0.00 C ATOM 2725 C MET B 79 -2.901 8.826 -1.026 1.00 0.00 C ATOM 2726 O MET B 79 -2.802 10.036 -1.066 1.00 0.00 O ATOM 2727 CB MET B 79 -3.267 7.713 -3.231 1.00 0.00 C ATOM 2728 CG MET B 79 -3.516 9.023 -3.999 1.00 0.00 C ATOM 2729 SD MET B 79 -5.198 9.008 -4.675 1.00 0.00 S ATOM 2730 CE MET B 79 -4.813 9.716 -6.293 1.00 0.00 C ATOM 0 H MET B 79 -2.524 5.856 -1.749 1.00 0.00 H new ATOM 0 HA MET B 79 -1.372 8.419 -2.481 1.00 0.00 H new ATOM 0 HB2 MET B 79 -2.884 6.953 -3.912 1.00 0.00 H new ATOM 0 HB3 MET B 79 -4.208 7.336 -2.829 1.00 0.00 H new ATOM 0 HG2 MET B 79 -3.386 9.878 -3.335 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.789 9.130 -4.804 1.00 0.00 H new ATOM 0 HE1 MET B 79 -5.727 9.796 -6.882 1.00 0.00 H new ATOM 0 HE2 MET B 79 -4.378 10.707 -6.162 1.00 0.00 H new ATOM 0 HE3 MET B 79 -4.102 9.073 -6.812 1.00 0.00 H new ATOM 2740 N VAL B 80 -3.525 8.225 -0.057 1.00 0.00 N ATOM 2741 CA VAL B 80 -4.138 9.008 1.035 1.00 0.00 C ATOM 2742 C VAL B 80 -3.054 9.218 2.060 1.00 0.00 C ATOM 2743 O VAL B 80 -2.956 10.256 2.686 1.00 0.00 O ATOM 2744 CB VAL B 80 -5.296 8.229 1.663 1.00 0.00 C ATOM 2745 CG1 VAL B 80 -5.790 8.967 2.911 1.00 0.00 C ATOM 2746 CG2 VAL B 80 -6.440 8.100 0.651 1.00 0.00 C ATOM 0 H VAL B 80 -3.635 7.214 0.022 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.535 9.954 0.666 1.00 0.00 H new ATOM 0 HB VAL B 80 -4.953 7.233 1.944 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -6.615 8.413 3.359 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -4.976 9.050 3.631 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -6.132 9.964 2.633 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -7.263 7.545 1.101 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -6.786 9.093 0.364 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -6.086 7.570 -0.233 1.00 0.00 H new ATOM 2756 N THR B 81 -2.208 8.238 2.216 1.00 0.00 N ATOM 2757 CA THR B 81 -1.101 8.389 3.179 1.00 0.00 C ATOM 2758 C THR B 81 -0.186 9.464 2.633 1.00 0.00 C ATOM 2759 O THR B 81 0.354 10.265 3.367 1.00 0.00 O ATOM 2760 CB THR B 81 -0.324 7.078 3.306 1.00 0.00 C ATOM 2761 OG1 THR B 81 -1.226 6.012 3.573 1.00 0.00 O ATOM 2762 CG2 THR B 81 0.691 7.187 4.445 1.00 0.00 C ATOM 0 H THR B 81 -2.241 7.348 1.719 1.00 0.00 H new ATOM 0 HA THR B 81 -1.484 8.653 4.165 1.00 0.00 H new ATOM 0 HB THR B 81 0.203 6.881 2.372 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.697 5.768 2.749 1.00 0.00 H new ATOM 0 HG21 THR B 81 1.242 6.251 4.532 1.00 0.00 H new ATOM 0 HG22 THR B 81 1.387 8.000 4.236 1.00 0.00 H new ATOM 0 HG23 THR B 81 0.168 7.388 5.380 1.00 0.00 H new ATOM 2770 N THR B 82 0.010 9.491 1.341 1.00 0.00 N ATOM 2771 CA THR B 82 0.906 10.519 0.764 1.00 0.00 C ATOM 2772 C THR B 82 0.347 11.911 1.028 1.00 0.00 C ATOM 2773 O THR B 82 1.073 12.802 1.412 1.00 0.00 O ATOM 2774 CB THR B 82 1.031 10.286 -0.740 1.00 0.00 C ATOM 2775 OG1 THR B 82 -0.260 10.067 -1.287 1.00 0.00 O ATOM 2776 CG2 THR B 82 1.922 9.059 -1.008 1.00 0.00 C ATOM 0 H THR B 82 -0.411 8.848 0.670 1.00 0.00 H new ATOM 0 HA THR B 82 1.889 10.445 1.230 1.00 0.00 H new ATOM 0 HB THR B 82 1.484 11.161 -1.206 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.938 10.218 -0.596 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.007 8.899 -2.083 1.00 0.00 H new ATOM 0 HG22 THR B 82 2.913 9.230 -0.587 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.478 8.178 -0.544 1.00 0.00 H new ATOM 2784 N ALA B 83 -0.935 12.127 0.860 1.00 0.00 N ATOM 2785 CA ALA B 83 -1.479 13.481 1.139 1.00 0.00 C ATOM 2786 C ALA B 83 -1.048 13.888 2.541 1.00 0.00 C ATOM 2787 O ALA B 83 -0.753 15.036 2.808 1.00 0.00 O ATOM 2788 CB ALA B 83 -3.007 13.448 1.057 1.00 0.00 C ATOM 0 H ALA B 83 -1.614 11.433 0.547 1.00 0.00 H new ATOM 0 HA ALA B 83 -1.104 14.197 0.408 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -3.404 14.442 1.262 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -3.311 13.135 0.058 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -3.396 12.743 1.792 1.00 0.00 H new ATOM 2794 N CYS B 84 -0.990 12.943 3.440 1.00 0.00 N ATOM 2795 CA CYS B 84 -0.552 13.278 4.822 1.00 0.00 C ATOM 2796 C CYS B 84 0.946 13.596 4.794 1.00 0.00 C ATOM 2797 O CYS B 84 1.495 14.141 5.731 1.00 0.00 O ATOM 2798 CB CYS B 84 -0.815 12.094 5.756 1.00 0.00 C ATOM 2799 SG CYS B 84 -2.591 11.750 5.807 1.00 0.00 S ATOM 0 H CYS B 84 -1.225 11.964 3.279 1.00 0.00 H new ATOM 0 HA CYS B 84 -1.110 14.140 5.189 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -0.273 11.215 5.408 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -0.448 12.318 6.758 1.00 0.00 H new ATOM 0 HG CYS B 84 -2.957 11.193 4.691 1.00 0.00 H new ATOM 2805 N HIS B 85 1.609 13.260 3.714 1.00 0.00 N ATOM 2806 CA HIS B 85 3.076 13.540 3.598 1.00 0.00 C ATOM 2807 C HIS B 85 3.289 14.829 2.794 1.00 0.00 C ATOM 2808 O HIS B 85 4.163 15.616 3.094 1.00 0.00 O ATOM 2809 CB HIS B 85 3.762 12.369 2.886 1.00 0.00 C ATOM 2810 CG HIS B 85 5.193 12.717 2.575 1.00 0.00 C ATOM 2811 ND1 HIS B 85 5.807 12.313 1.401 1.00 0.00 N ATOM 2812 CD2 HIS B 85 6.140 13.429 3.269 1.00 0.00 C ATOM 2813 CE1 HIS B 85 7.066 12.778 1.421 1.00 0.00 C ATOM 2814 NE2 HIS B 85 7.324 13.466 2.537 1.00 0.00 N ATOM 0 H HIS B 85 1.195 12.801 2.903 1.00 0.00 H new ATOM 0 HA HIS B 85 3.505 13.661 4.593 1.00 0.00 H new ATOM 0 HB2 HIS B 85 3.725 11.479 3.515 1.00 0.00 H new ATOM 0 HB3 HIS B 85 3.229 12.131 1.965 1.00 0.00 H new ATOM 0 HD1 HIS B 85 5.380 11.762 0.656 1.00 0.00 H new ATOM 0 HD2 HIS B 85 5.990 13.890 4.234 1.00 0.00 H new ATOM 0 HE1 HIS B 85 7.784 12.616 0.631 1.00 0.00 H new ATOM 2822 N GLU B 86 2.495 15.061 1.780 1.00 0.00 N ATOM 2823 CA GLU B 86 2.667 16.311 0.980 1.00 0.00 C ATOM 2824 C GLU B 86 2.123 17.490 1.783 1.00 0.00 C ATOM 2825 O GLU B 86 2.735 18.534 1.875 1.00 0.00 O ATOM 2826 CB GLU B 86 1.898 16.203 -0.342 1.00 0.00 C ATOM 2827 CG GLU B 86 2.132 14.827 -0.962 1.00 0.00 C ATOM 2828 CD GLU B 86 1.703 14.844 -2.431 1.00 0.00 C ATOM 2829 OE1 GLU B 86 1.143 15.841 -2.853 1.00 0.00 O ATOM 2830 OE2 GLU B 86 1.942 13.857 -3.108 1.00 0.00 O ATOM 0 H GLU B 86 1.742 14.445 1.473 1.00 0.00 H new ATOM 0 HA GLU B 86 3.725 16.458 0.763 1.00 0.00 H new ATOM 0 HB2 GLU B 86 0.833 16.358 -0.168 1.00 0.00 H new ATOM 0 HB3 GLU B 86 2.226 16.983 -1.029 1.00 0.00 H new ATOM 0 HG2 GLU B 86 3.185 14.556 -0.884 1.00 0.00 H new ATOM 0 HG3 GLU B 86 1.567 14.071 -0.417 1.00 0.00 H new ATOM 2837 N PHE B 87 0.973 17.320 2.365 1.00 0.00 N ATOM 2838 CA PHE B 87 0.369 18.419 3.171 1.00 0.00 C ATOM 2839 C PHE B 87 1.410 18.965 4.153 1.00 0.00 C ATOM 2840 O PHE B 87 1.644 20.156 4.228 1.00 0.00 O ATOM 2841 CB PHE B 87 -0.831 17.874 3.950 1.00 0.00 C ATOM 2842 CG PHE B 87 -1.667 19.023 4.464 1.00 0.00 C ATOM 2843 CD1 PHE B 87 -2.702 19.541 3.676 1.00 0.00 C ATOM 2844 CD2 PHE B 87 -1.407 19.569 5.726 1.00 0.00 C ATOM 2845 CE1 PHE B 87 -3.478 20.606 4.152 1.00 0.00 C ATOM 2846 CE2 PHE B 87 -2.183 20.634 6.201 1.00 0.00 C ATOM 2847 CZ PHE B 87 -3.218 21.152 5.415 1.00 0.00 C ATOM 0 H PHE B 87 0.420 16.464 2.319 1.00 0.00 H new ATOM 0 HA PHE B 87 0.042 19.220 2.508 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -1.433 17.232 3.307 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -0.488 17.260 4.783 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -2.902 19.120 2.702 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -0.608 19.169 6.333 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -4.277 21.006 3.545 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -1.982 21.056 7.175 1.00 0.00 H new ATOM 0 HZ PHE B 87 -3.816 21.973 5.782 1.00 0.00 H new ATOM 2857 N PHE B 88 2.033 18.103 4.909 1.00 0.00 N ATOM 2858 CA PHE B 88 3.055 18.567 5.890 1.00 0.00 C ATOM 2859 C PHE B 88 4.244 19.181 5.143 1.00 0.00 C ATOM 2860 O PHE B 88 4.962 20.005 5.675 1.00 0.00 O ATOM 2861 CB PHE B 88 3.531 17.373 6.724 1.00 0.00 C ATOM 2862 CG PHE B 88 4.616 17.813 7.677 1.00 0.00 C ATOM 2863 CD1 PHE B 88 4.280 18.469 8.868 1.00 0.00 C ATOM 2864 CD2 PHE B 88 5.960 17.561 7.374 1.00 0.00 C ATOM 2865 CE1 PHE B 88 5.285 18.874 9.753 1.00 0.00 C ATOM 2866 CE2 PHE B 88 6.965 17.966 8.260 1.00 0.00 C ATOM 2867 CZ PHE B 88 6.628 18.622 9.450 1.00 0.00 C ATOM 0 H PHE B 88 1.878 17.095 4.890 1.00 0.00 H new ATOM 0 HA PHE B 88 2.618 19.320 6.546 1.00 0.00 H new ATOM 0 HB2 PHE B 88 2.695 16.951 7.281 1.00 0.00 H new ATOM 0 HB3 PHE B 88 3.907 16.587 6.069 1.00 0.00 H new ATOM 0 HD1 PHE B 88 3.244 18.662 9.103 1.00 0.00 H new ATOM 0 HD2 PHE B 88 6.221 17.054 6.457 1.00 0.00 H new ATOM 0 HE1 PHE B 88 5.024 19.381 10.670 1.00 0.00 H new ATOM 0 HE2 PHE B 88 8.001 17.772 8.025 1.00 0.00 H new ATOM 0 HZ PHE B 88 7.404 18.933 10.134 1.00 0.00 H new ATOM 2877 N GLU B 89 4.458 18.786 3.915 1.00 0.00 N ATOM 2878 CA GLU B 89 5.602 19.344 3.127 1.00 0.00 C ATOM 2879 C GLU B 89 5.098 20.460 2.208 1.00 0.00 C ATOM 2880 O GLU B 89 5.870 21.116 1.536 1.00 0.00 O ATOM 2881 CB GLU B 89 6.217 18.234 2.271 1.00 0.00 C ATOM 2882 CG GLU B 89 6.963 17.243 3.165 1.00 0.00 C ATOM 2883 CD GLU B 89 7.635 16.181 2.291 1.00 0.00 C ATOM 2884 OE1 GLU B 89 7.145 15.946 1.198 1.00 0.00 O ATOM 2885 OE2 GLU B 89 8.625 15.619 2.728 1.00 0.00 O ATOM 0 H GLU B 89 3.889 18.099 3.421 1.00 0.00 H new ATOM 0 HA GLU B 89 6.350 19.743 3.812 1.00 0.00 H new ATOM 0 HB2 GLU B 89 5.436 17.718 1.713 1.00 0.00 H new ATOM 0 HB3 GLU B 89 6.901 18.663 1.539 1.00 0.00 H new ATOM 0 HG2 GLU B 89 7.710 17.765 3.762 1.00 0.00 H new ATOM 0 HG3 GLU B 89 6.270 16.772 3.862 1.00 0.00 H new ATOM 2892 N HIS B 90 3.813 20.676 2.165 1.00 0.00 N ATOM 2893 CA HIS B 90 3.268 21.744 1.278 1.00 0.00 C ATOM 2894 C HIS B 90 3.787 23.111 1.736 1.00 0.00 C ATOM 2895 O HIS B 90 3.290 23.690 2.680 1.00 0.00 O ATOM 2896 CB HIS B 90 1.738 21.726 1.354 1.00 0.00 C ATOM 2897 CG HIS B 90 1.171 22.749 0.409 1.00 0.00 C ATOM 2898 ND1 HIS B 90 1.889 23.239 -0.673 1.00 0.00 N ATOM 2899 CD2 HIS B 90 -0.047 23.382 0.369 1.00 0.00 C ATOM 2900 CE1 HIS B 90 1.103 24.126 -1.313 1.00 0.00 C ATOM 2901 NE2 HIS B 90 -0.085 24.248 -0.718 1.00 0.00 N ATOM 0 H HIS B 90 3.117 20.161 2.704 1.00 0.00 H new ATOM 0 HA HIS B 90 3.589 21.565 0.252 1.00 0.00 H new ATOM 0 HB2 HIS B 90 1.363 20.735 1.099 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.412 21.938 2.372 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -0.851 23.230 1.073 1.00 0.00 H new ATOM 0 HE1 HIS B 90 1.398 24.671 -2.198 1.00 0.00 H new ATOM 0 HE2 HIS B 90 -0.858 24.850 -1.001 1.00 0.00 H new ATOM 2910 N GLU B 91 4.788 23.627 1.073 1.00 0.00 N ATOM 2911 CA GLU B 91 5.343 24.953 1.470 1.00 0.00 C ATOM 2912 C GLU B 91 4.398 26.064 1.006 1.00 0.00 C ATOM 2913 O GLU B 91 3.197 25.860 1.074 1.00 0.00 O ATOM 2914 CB GLU B 91 6.715 25.150 0.819 1.00 0.00 C ATOM 2915 CG GLU B 91 7.612 23.950 1.136 1.00 0.00 C ATOM 2916 CD GLU B 91 8.968 24.130 0.450 1.00 0.00 C ATOM 2917 OE1 GLU B 91 9.489 25.232 0.491 1.00 0.00 O ATOM 2918 OE2 GLU B 91 9.461 23.162 -0.104 1.00 0.00 O ATOM 2919 OXT GLU B 91 4.892 27.100 0.592 1.00 0.00 O ATOM 0 H GLU B 91 5.245 23.187 0.274 1.00 0.00 H new ATOM 0 HA GLU B 91 5.445 24.991 2.555 1.00 0.00 H new ATOM 0 HB2 GLU B 91 6.604 25.259 -0.260 1.00 0.00 H new ATOM 0 HB3 GLU B 91 7.175 26.067 1.187 1.00 0.00 H new ATOM 0 HG2 GLU B 91 7.747 23.858 2.214 1.00 0.00 H new ATOM 0 HG3 GLU B 91 7.139 23.029 0.795 1.00 0.00 H new TER 2926 GLU B 91 HETATM 2927 CA CA A 92 15.492 7.895 -0.968 1.00 0.00 CA HETATM 2928 CA CA A 93 8.264 1.034 -10.881 1.00 0.00 CA HETATM 2929 ZN ZN A 94 9.279 13.752 2.085 1.00 0.00 ZN HETATM 2930 CA CA B 92 -14.986 -7.398 -1.348 1.00 0.00 CA HETATM 2931 CA CA B 93 -8.194 -0.734 -10.917 1.00 0.00 CA HETATM 2932 ZN ZN B 94 -9.245 -13.799 1.675 1.00 0.00 ZN