USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1092 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 SER OG : rot 79:sc= -2! USER MOD Set 1.2: A 60 ASN : amide:sc= -3.44! C(o=-5.4!,f=-4.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0104 X(o=-0.01,f=-0.43) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.333 X(o=-0.33,f=-0.17) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 20 GLN : amide:sc= -0.114 K(o=-0.11,f=-2.5!) USER MOD Single : A 22 LYS NZ :NH3+ 172:sc= -0.0455 (180deg=-0.147) USER MOD Single : A 23 ASN : amide:sc= -0.0165 X(o=-0.017,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc=-0.00277 X(o=-0.0028,f=-0.33) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -8.8! C(o=-8.8!,f=-7.7!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -2.47! C(o=-2.5!,f=-2!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0093 K(o=-0.0093,f=-1.1) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -48:sc= 1.14 USER MOD Single : A 63 ASN : amide:sc= -0.0071 X(o=-0.0071,f=0.39) USER MOD Single : A 64 ASN : amide:sc= -1.86 X(o=-1.9,f=-2.1) USER MOD Single : A 69 ASN : amide:sc=-0.00372 X(o=-0.0037,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00283 USER MOD Single : A 83 ASN : amide:sc= -6.88! C(o=-6.9!,f=-12!) USER MOD Single : A 88 GLN : amide:sc= -0.71 X(o=-0.71,f=-0.84) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -1.05 X(o=-1,f=-0.84) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -135:sc= -0.484 (180deg=-2.34!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ -124:sc= -0.162 (180deg=-0.88) USER MOD Single : A 114 SER OG : rot 170:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.0084 X(o=-0.0084,f=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 MET CE :methyl -157:sc= -0.0162 (180deg=-0.138) USER MOD Single : A 121 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-3.4!) USER MOD Single : A 122 GLN : amide:sc= -3.49! C(o=-3.5!,f=-4.4!) USER MOD Single : A 123 HIS : no HD1:sc= -2.17! K(o=-2.2!,f=-0.71) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc=-0.00599 X(o=-0.006,f=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.287 -2.204 20.593 1.00 0.00 N ATOM 2 CA MET A 1 -6.238 -1.893 19.539 1.00 0.00 C ATOM 3 C MET A 1 -7.575 -1.436 20.125 1.00 0.00 C ATOM 4 O MET A 1 -8.461 -2.254 20.370 1.00 0.00 O ATOM 5 CB MET A 1 -6.458 -3.130 18.667 1.00 0.00 C ATOM 6 CG MET A 1 -6.684 -2.738 17.206 1.00 0.00 C ATOM 7 SD MET A 1 -5.684 -3.760 16.137 1.00 0.00 S ATOM 8 CE MET A 1 -6.933 -4.876 15.518 1.00 0.00 C ATOM 0 H1 MET A 1 -4.388 -2.512 20.170 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.124 -1.357 21.175 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.667 -2.966 21.190 1.00 0.00 H new ATOM 0 HA MET A 1 -5.831 -1.082 18.936 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.593 -3.790 18.741 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.318 -3.690 19.034 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.737 -2.851 16.949 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.431 -1.688 17.059 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.476 -5.587 14.830 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.384 -5.415 16.351 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.702 -4.307 14.995 1.00 0.00 H new ATOM 18 N GLN A 2 -7.680 -0.132 20.333 1.00 0.00 N ATOM 19 CA GLN A 2 -8.894 0.443 20.886 1.00 0.00 C ATOM 20 C GLN A 2 -8.897 1.961 20.696 1.00 0.00 C ATOM 21 O GLN A 2 -8.154 2.675 21.367 1.00 0.00 O ATOM 22 CB GLN A 2 -9.053 0.075 22.362 1.00 0.00 C ATOM 23 CG GLN A 2 -10.452 -0.475 22.643 1.00 0.00 C ATOM 24 CD GLN A 2 -11.336 0.586 23.303 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.506 1.686 22.805 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.888 0.194 24.448 1.00 0.00 N ATOM 0 H GLN A 2 -6.943 0.543 20.128 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.746 0.027 20.349 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -8.304 -0.668 22.638 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.873 0.954 22.981 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -10.910 -0.807 21.711 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.380 -1.348 23.291 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.704 -0.742 24.809 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.496 0.829 24.965 1.00 0.00 H new ATOM 35 N GLY A 3 -9.742 2.409 19.779 1.00 0.00 N ATOM 36 CA GLY A 3 -9.852 3.829 19.492 1.00 0.00 C ATOM 37 C GLY A 3 -8.469 4.479 19.406 1.00 0.00 C ATOM 38 O GLY A 3 -7.533 3.888 18.871 1.00 0.00 O ATOM 0 H GLY A 3 -10.357 1.813 19.225 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -10.385 3.974 18.552 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -10.439 4.317 20.270 1.00 0.00 H new ATOM 42 N GLN A 4 -8.385 5.688 19.942 1.00 0.00 N ATOM 43 CA GLN A 4 -7.132 6.425 19.932 1.00 0.00 C ATOM 44 C GLN A 4 -6.812 6.909 18.516 1.00 0.00 C ATOM 45 O GLN A 4 -6.031 6.280 17.804 1.00 0.00 O ATOM 46 CB GLN A 4 -5.991 5.574 20.493 1.00 0.00 C ATOM 47 CG GLN A 4 -5.101 6.397 21.427 1.00 0.00 C ATOM 48 CD GLN A 4 -4.818 5.637 22.724 1.00 0.00 C ATOM 49 OE1 GLN A 4 -3.870 4.876 22.833 1.00 0.00 O ATOM 50 NE2 GLN A 4 -5.689 5.885 23.698 1.00 0.00 N ATOM 0 H GLN A 4 -9.163 6.175 20.386 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.241 7.297 20.576 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -6.401 4.721 21.034 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.393 5.175 19.673 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -4.162 6.632 20.927 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -5.587 7.346 21.656 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -6.460 6.533 23.540 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -5.586 5.427 24.603 1.00 0.00 H new ATOM 59 N ASP A 5 -7.431 8.022 18.151 1.00 0.00 N ATOM 60 CA ASP A 5 -7.221 8.596 16.833 1.00 0.00 C ATOM 61 C ASP A 5 -7.856 7.688 15.778 1.00 0.00 C ATOM 62 O ASP A 5 -7.233 6.729 15.324 1.00 0.00 O ATOM 63 CB ASP A 5 -5.729 8.718 16.517 1.00 0.00 C ATOM 64 CG ASP A 5 -4.880 9.333 17.631 1.00 0.00 C ATOM 65 OD1 ASP A 5 -4.529 8.575 18.560 1.00 0.00 O ATOM 66 OD2 ASP A 5 -4.601 10.547 17.528 1.00 0.00 O ATOM 0 H ASP A 5 -8.078 8.541 18.745 1.00 0.00 H new ATOM 0 HA ASP A 5 -7.674 9.587 16.821 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.339 7.726 16.289 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.612 9.321 15.617 1.00 0.00 H new ATOM 71 N ARG A 6 -9.087 8.022 15.419 1.00 0.00 N ATOM 72 CA ARG A 6 -9.812 7.248 14.426 1.00 0.00 C ATOM 73 C ARG A 6 -8.968 7.083 13.161 1.00 0.00 C ATOM 74 O ARG A 6 -8.885 5.990 12.604 1.00 0.00 O ATOM 75 CB ARG A 6 -11.137 7.922 14.064 1.00 0.00 C ATOM 76 CG ARG A 6 -12.240 6.883 13.850 1.00 0.00 C ATOM 77 CD ARG A 6 -13.598 7.425 14.301 1.00 0.00 C ATOM 78 NE ARG A 6 -14.613 6.349 14.256 1.00 0.00 N ATOM 79 CZ ARG A 6 -14.826 5.475 15.250 1.00 0.00 C ATOM 80 NH1 ARG A 6 -14.096 5.546 16.372 1.00 0.00 N ATOM 81 NH2 ARG A 6 -15.768 4.531 15.122 1.00 0.00 N ATOM 0 H ARG A 6 -9.600 8.818 15.798 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.021 6.269 14.856 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.429 8.609 14.858 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -11.012 8.516 13.159 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -12.286 6.608 12.796 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.003 5.976 14.406 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -13.522 7.822 15.313 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -13.902 8.250 13.657 1.00 0.00 H new ATOM 0 HE ARG A 6 -15.186 6.267 13.416 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -13.379 6.265 16.469 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -14.258 4.881 17.129 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -16.323 4.477 14.268 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -15.930 3.866 15.878 1.00 0.00 H new ATOM 95 N HIS A 7 -8.364 8.186 12.744 1.00 0.00 N ATOM 96 CA HIS A 7 -7.529 8.178 11.554 1.00 0.00 C ATOM 97 C HIS A 7 -6.466 7.085 11.681 1.00 0.00 C ATOM 98 O HIS A 7 -6.349 6.225 10.810 1.00 0.00 O ATOM 99 CB HIS A 7 -6.929 9.563 11.302 1.00 0.00 C ATOM 100 CG HIS A 7 -7.684 10.384 10.285 1.00 0.00 C ATOM 101 ND1 HIS A 7 -7.240 11.615 9.835 1.00 0.00 N ATOM 102 CD2 HIS A 7 -8.857 10.137 9.634 1.00 0.00 C ATOM 103 CE1 HIS A 7 -8.114 12.079 8.955 1.00 0.00 C ATOM 104 NE2 HIS A 7 -9.116 11.162 8.832 1.00 0.00 N ATOM 0 H HIS A 7 -8.436 9.091 13.209 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.137 7.945 10.680 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -6.897 10.110 12.244 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -5.899 9.446 10.966 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.471 9.256 9.751 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -8.045 13.019 8.427 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -9.930 11.250 8.224 1.00 0.00 H new ATOM 112 N MET A 8 -5.719 7.154 12.773 1.00 0.00 N ATOM 113 CA MET A 8 -4.670 6.182 13.024 1.00 0.00 C ATOM 114 C MET A 8 -5.126 4.772 12.644 1.00 0.00 C ATOM 115 O MET A 8 -4.458 4.086 11.871 1.00 0.00 O ATOM 116 CB MET A 8 -4.289 6.212 14.506 1.00 0.00 C ATOM 117 CG MET A 8 -3.085 5.311 14.782 1.00 0.00 C ATOM 118 SD MET A 8 -2.973 4.957 16.528 1.00 0.00 S ATOM 119 CE MET A 8 -1.963 6.330 17.058 1.00 0.00 C ATOM 0 H MET A 8 -5.820 7.868 13.494 1.00 0.00 H new ATOM 0 HA MET A 8 -3.807 6.442 12.412 1.00 0.00 H new ATOM 0 HB2 MET A 8 -4.058 7.235 14.805 1.00 0.00 H new ATOM 0 HB3 MET A 8 -5.137 5.887 15.109 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.179 4.382 14.220 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.171 5.798 14.442 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.794 6.264 18.133 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.006 6.300 16.538 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.472 7.266 16.828 1.00 0.00 H new ATOM 129 N ILE A 9 -6.262 4.381 13.203 1.00 0.00 N ATOM 130 CA ILE A 9 -6.815 3.065 12.932 1.00 0.00 C ATOM 131 C ILE A 9 -6.708 2.770 11.434 1.00 0.00 C ATOM 132 O ILE A 9 -6.163 1.741 11.038 1.00 0.00 O ATOM 133 CB ILE A 9 -8.240 2.960 13.479 1.00 0.00 C ATOM 134 CG1 ILE A 9 -8.235 2.853 15.005 1.00 0.00 C ATOM 135 CG2 ILE A 9 -8.995 1.801 12.825 1.00 0.00 C ATOM 136 CD1 ILE A 9 -9.146 3.910 15.632 1.00 0.00 C ATOM 0 H ILE A 9 -6.814 4.952 13.842 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.242 2.297 13.450 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.772 3.876 13.222 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.566 1.859 15.304 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.218 2.976 15.378 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.005 1.749 13.232 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.045 1.961 11.748 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.473 0.866 13.029 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.124 3.812 16.717 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.798 4.904 15.351 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.166 3.769 15.275 1.00 0.00 H new ATOM 148 N ARG A 10 -7.237 3.692 10.643 1.00 0.00 N ATOM 149 CA ARG A 10 -7.208 3.544 9.198 1.00 0.00 C ATOM 150 C ARG A 10 -5.859 2.978 8.749 1.00 0.00 C ATOM 151 O ARG A 10 -5.800 1.905 8.151 1.00 0.00 O ATOM 152 CB ARG A 10 -7.448 4.885 8.502 1.00 0.00 C ATOM 153 CG ARG A 10 -7.665 4.692 7.000 1.00 0.00 C ATOM 154 CD ARG A 10 -9.004 5.288 6.558 1.00 0.00 C ATOM 155 NE ARG A 10 -8.776 6.537 5.798 1.00 0.00 N ATOM 156 CZ ARG A 10 -9.744 7.228 5.181 1.00 0.00 C ATOM 157 NH1 ARG A 10 -11.011 6.796 5.230 1.00 0.00 N ATOM 158 NH2 ARG A 10 -9.444 8.351 4.515 1.00 0.00 N ATOM 0 H ARG A 10 -7.688 4.544 10.976 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.006 2.855 8.919 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.318 5.375 8.939 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.595 5.543 8.668 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.853 5.165 6.448 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.639 3.629 6.759 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.545 4.571 5.941 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.626 5.491 7.429 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.822 6.894 5.740 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.239 5.941 5.737 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.748 7.322 4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.479 8.680 4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.180 8.877 4.045 1.00 0.00 H new ATOM 172 N MET A 11 -4.809 3.726 9.056 1.00 0.00 N ATOM 173 CA MET A 11 -3.464 3.312 8.692 1.00 0.00 C ATOM 174 C MET A 11 -3.220 1.849 9.068 1.00 0.00 C ATOM 175 O MET A 11 -3.027 1.004 8.195 1.00 0.00 O ATOM 176 CB MET A 11 -2.445 4.201 9.408 1.00 0.00 C ATOM 177 CG MET A 11 -2.785 5.681 9.226 1.00 0.00 C ATOM 178 SD MET A 11 -1.288 6.628 9.004 1.00 0.00 S ATOM 179 CE MET A 11 -1.173 7.406 10.607 1.00 0.00 C ATOM 0 H MET A 11 -4.862 4.616 9.552 1.00 0.00 H new ATOM 0 HA MET A 11 -3.352 3.413 7.612 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.427 3.956 10.470 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.447 4.003 9.018 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.438 5.809 8.363 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.331 6.047 10.096 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.286 8.039 10.641 1.00 0.00 H new ATOM 0 HE2 MET A 11 -2.060 8.015 10.781 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.102 6.640 11.379 1.00 0.00 H new ATOM 189 N ARG A 12 -3.236 1.595 10.368 1.00 0.00 N ATOM 190 CA ARG A 12 -3.019 0.249 10.870 1.00 0.00 C ATOM 191 C ARG A 12 -3.886 -0.751 10.102 1.00 0.00 C ATOM 192 O ARG A 12 -3.392 -1.776 9.635 1.00 0.00 O ATOM 193 CB ARG A 12 -3.347 0.157 12.361 1.00 0.00 C ATOM 194 CG ARG A 12 -2.174 0.647 13.212 1.00 0.00 C ATOM 195 CD ARG A 12 -2.629 1.714 14.211 1.00 0.00 C ATOM 196 NE ARG A 12 -3.312 1.074 15.358 1.00 0.00 N ATOM 197 CZ ARG A 12 -2.695 0.310 16.269 1.00 0.00 C ATOM 198 NH1 ARG A 12 -1.377 0.086 16.174 1.00 0.00 N ATOM 199 NH2 ARG A 12 -3.395 -0.229 17.276 1.00 0.00 N ATOM 0 H ARG A 12 -3.396 2.299 11.089 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.966 0.008 10.726 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.233 0.753 12.579 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.584 -0.874 12.622 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.733 -0.193 13.748 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.397 1.056 12.566 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.770 2.286 14.562 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.303 2.418 13.722 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.316 1.224 15.461 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.844 0.497 15.408 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.907 -0.496 16.868 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.398 -0.058 17.349 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.925 -0.811 17.970 1.00 0.00 H new ATOM 213 N GLN A 13 -5.164 -0.417 9.994 1.00 0.00 N ATOM 214 CA GLN A 13 -6.104 -1.273 9.290 1.00 0.00 C ATOM 215 C GLN A 13 -5.521 -1.708 7.944 1.00 0.00 C ATOM 216 O GLN A 13 -5.545 -2.890 7.606 1.00 0.00 O ATOM 217 CB GLN A 13 -7.450 -0.570 9.103 1.00 0.00 C ATOM 218 CG GLN A 13 -8.427 -0.952 10.217 1.00 0.00 C ATOM 219 CD GLN A 13 -9.875 -0.875 9.727 1.00 0.00 C ATOM 220 OE1 GLN A 13 -10.256 0.005 8.973 1.00 0.00 O ATOM 221 NE2 GLN A 13 -10.656 -1.844 10.195 1.00 0.00 N ATOM 0 H GLN A 13 -5.570 0.434 10.382 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.277 -2.164 9.893 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.303 0.510 9.098 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.873 -0.839 8.135 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.210 -1.962 10.565 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.292 -0.285 11.069 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.272 -2.550 10.823 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.639 -1.882 9.926 1.00 0.00 H new ATOM 230 N LEU A 14 -5.010 -0.728 7.212 1.00 0.00 N ATOM 231 CA LEU A 14 -4.422 -0.996 5.911 1.00 0.00 C ATOM 232 C LEU A 14 -3.251 -1.967 6.075 1.00 0.00 C ATOM 233 O LEU A 14 -3.252 -3.049 5.491 1.00 0.00 O ATOM 234 CB LEU A 14 -4.043 0.314 5.215 1.00 0.00 C ATOM 235 CG LEU A 14 -5.200 1.114 4.615 1.00 0.00 C ATOM 236 CD1 LEU A 14 -4.684 2.329 3.842 1.00 0.00 C ATOM 237 CD2 LEU A 14 -6.094 0.223 3.752 1.00 0.00 C ATOM 0 H LEU A 14 -4.991 0.252 7.495 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.147 -1.480 5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.524 0.947 5.934 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.333 0.087 4.419 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.815 1.490 5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.527 2.880 3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.123 2.977 4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.033 1.996 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.909 0.817 3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.506 -0.204 2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.505 -0.581 4.363 1.00 0.00 H new ATOM 249 N ILE A 15 -2.281 -1.544 6.872 1.00 0.00 N ATOM 250 CA ILE A 15 -1.106 -2.363 7.120 1.00 0.00 C ATOM 251 C ILE A 15 -1.548 -3.766 7.540 1.00 0.00 C ATOM 252 O ILE A 15 -1.004 -4.761 7.063 1.00 0.00 O ATOM 253 CB ILE A 15 -0.181 -1.681 8.130 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.468 -0.435 7.524 1.00 0.00 C ATOM 255 CG2 ILE A 15 0.859 -2.664 8.672 1.00 0.00 C ATOM 256 CD1 ILE A 15 -0.286 0.831 7.935 1.00 0.00 C ATOM 0 H ILE A 15 -2.284 -0.645 7.354 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.518 -2.473 6.209 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.783 -1.351 8.977 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.506 -0.366 7.850 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.480 -0.519 6.437 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.504 -2.154 9.388 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.353 -3.493 9.166 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.462 -3.046 7.849 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.196 1.702 7.491 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.317 0.770 7.587 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.275 0.925 9.021 1.00 0.00 H new ATOM 268 N ASP A 16 -2.530 -3.802 8.429 1.00 0.00 N ATOM 269 CA ASP A 16 -3.051 -5.066 8.919 1.00 0.00 C ATOM 270 C ASP A 16 -3.644 -5.856 7.750 1.00 0.00 C ATOM 271 O ASP A 16 -3.251 -6.995 7.503 1.00 0.00 O ATOM 272 CB ASP A 16 -4.159 -4.843 9.949 1.00 0.00 C ATOM 273 CG ASP A 16 -4.026 -5.668 11.231 1.00 0.00 C ATOM 274 OD1 ASP A 16 -2.871 -5.998 11.576 1.00 0.00 O ATOM 275 OD2 ASP A 16 -5.082 -5.949 11.838 1.00 0.00 O ATOM 0 H ASP A 16 -2.979 -2.975 8.823 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.230 -5.611 9.385 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.179 -3.786 10.215 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.118 -5.073 9.485 1.00 0.00 H new ATOM 280 N ILE A 17 -4.579 -5.219 7.061 1.00 0.00 N ATOM 281 CA ILE A 17 -5.230 -5.848 5.924 1.00 0.00 C ATOM 282 C ILE A 17 -4.170 -6.483 5.023 1.00 0.00 C ATOM 283 O ILE A 17 -4.348 -7.602 4.544 1.00 0.00 O ATOM 284 CB ILE A 17 -6.132 -4.845 5.201 1.00 0.00 C ATOM 285 CG1 ILE A 17 -7.609 -5.149 5.461 1.00 0.00 C ATOM 286 CG2 ILE A 17 -5.810 -4.797 3.706 1.00 0.00 C ATOM 287 CD1 ILE A 17 -8.455 -3.878 5.364 1.00 0.00 C ATOM 0 H ILE A 17 -4.902 -4.274 7.268 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.888 -6.651 6.257 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.932 -3.852 5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.965 -5.884 4.739 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.724 -5.592 6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.465 -4.077 3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.772 -4.496 3.567 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.964 -5.784 3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.501 -4.122 5.553 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.111 -3.155 6.104 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.357 -3.451 4.366 1.00 0.00 H new ATOM 299 N VAL A 18 -3.092 -5.742 4.818 1.00 0.00 N ATOM 300 CA VAL A 18 -2.003 -6.219 3.982 1.00 0.00 C ATOM 301 C VAL A 18 -1.477 -7.542 4.543 1.00 0.00 C ATOM 302 O VAL A 18 -1.635 -8.590 3.920 1.00 0.00 O ATOM 303 CB VAL A 18 -0.920 -5.144 3.870 1.00 0.00 C ATOM 304 CG1 VAL A 18 0.269 -5.648 3.050 1.00 0.00 C ATOM 305 CG2 VAL A 18 -1.487 -3.853 3.276 1.00 0.00 C ATOM 0 H VAL A 18 -2.949 -4.814 5.216 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.356 -6.413 2.969 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.564 -4.921 4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.025 -4.865 2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.697 -6.527 3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.066 -5.912 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.696 -3.106 3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.884 -4.054 2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.286 -3.478 3.916 1.00 0.00 H new ATOM 315 N ASP A 19 -0.863 -7.449 5.713 1.00 0.00 N ATOM 316 CA ASP A 19 -0.313 -8.625 6.365 1.00 0.00 C ATOM 317 C ASP A 19 -1.339 -9.758 6.313 1.00 0.00 C ATOM 318 O ASP A 19 -0.976 -10.923 6.154 1.00 0.00 O ATOM 319 CB ASP A 19 0.005 -8.342 7.835 1.00 0.00 C ATOM 320 CG ASP A 19 1.485 -8.447 8.208 1.00 0.00 C ATOM 321 OD1 ASP A 19 2.316 -8.253 7.294 1.00 0.00 O ATOM 322 OD2 ASP A 19 1.753 -8.719 9.398 1.00 0.00 O ATOM 0 H ASP A 19 -0.734 -6.577 6.227 1.00 0.00 H new ATOM 0 HA ASP A 19 0.604 -8.901 5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.346 -7.340 8.081 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.561 -9.038 8.454 1.00 0.00 H new ATOM 327 N GLN A 20 -2.601 -9.378 6.451 1.00 0.00 N ATOM 328 CA GLN A 20 -3.683 -10.348 6.422 1.00 0.00 C ATOM 329 C GLN A 20 -3.653 -11.137 5.111 1.00 0.00 C ATOM 330 O GLN A 20 -3.689 -12.366 5.122 1.00 0.00 O ATOM 331 CB GLN A 20 -5.037 -9.665 6.619 1.00 0.00 C ATOM 332 CG GLN A 20 -6.083 -10.658 7.129 1.00 0.00 C ATOM 333 CD GLN A 20 -6.025 -10.783 8.653 1.00 0.00 C ATOM 334 OE1 GLN A 20 -4.984 -11.026 9.242 1.00 0.00 O ATOM 335 NE2 GLN A 20 -7.197 -10.603 9.256 1.00 0.00 N ATOM 0 H GLN A 20 -2.899 -8.411 6.583 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.542 -11.046 7.247 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.934 -8.844 7.328 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.371 -9.232 5.676 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.078 -10.332 6.825 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.915 -11.634 6.674 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.030 -10.402 8.702 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.263 -10.665 10.272 1.00 0.00 H new ATOM 344 N LEU A 21 -3.587 -10.398 4.014 1.00 0.00 N ATOM 345 CA LEU A 21 -3.552 -11.013 2.698 1.00 0.00 C ATOM 346 C LEU A 21 -2.204 -11.709 2.501 1.00 0.00 C ATOM 347 O LEU A 21 -2.132 -12.764 1.872 1.00 0.00 O ATOM 348 CB LEU A 21 -3.875 -9.981 1.615 1.00 0.00 C ATOM 349 CG LEU A 21 -2.675 -9.259 0.998 1.00 0.00 C ATOM 350 CD1 LEU A 21 -2.403 -9.762 -0.421 1.00 0.00 C ATOM 351 CD2 LEU A 21 -2.868 -7.741 1.041 1.00 0.00 C ATOM 0 H LEU A 21 -3.557 -9.378 4.009 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.323 -11.779 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.423 -10.481 0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.544 -9.233 2.041 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.793 -9.489 1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.545 -9.233 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.191 -10.831 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.278 -9.581 -1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.001 -7.251 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.764 -7.472 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.976 -7.417 2.076 1.00 0.00 H new ATOM 363 N LYS A 22 -1.169 -11.092 3.051 1.00 0.00 N ATOM 364 CA LYS A 22 0.173 -11.639 2.944 1.00 0.00 C ATOM 365 C LYS A 22 0.244 -12.958 3.716 1.00 0.00 C ATOM 366 O LYS A 22 0.970 -13.871 3.326 1.00 0.00 O ATOM 367 CB LYS A 22 1.210 -10.607 3.393 1.00 0.00 C ATOM 368 CG LYS A 22 2.165 -10.257 2.250 1.00 0.00 C ATOM 369 CD LYS A 22 3.489 -11.011 2.390 1.00 0.00 C ATOM 370 CE LYS A 22 4.245 -10.563 3.642 1.00 0.00 C ATOM 371 NZ LYS A 22 5.685 -10.883 3.521 1.00 0.00 N ATOM 0 H LYS A 22 -1.233 -10.218 3.573 1.00 0.00 H new ATOM 0 HA LYS A 22 0.411 -11.864 1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.705 -9.705 3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.776 -10.999 4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.701 -10.504 1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.353 -9.183 2.244 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.298 -12.083 2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.105 -10.838 1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.116 -9.491 3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.830 -11.056 4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.204 -10.454 4.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.814 -11.915 3.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.050 -10.505 2.623 1.00 0.00 H new ATOM 385 N ASN A 23 -0.520 -13.016 4.797 1.00 0.00 N ATOM 386 CA ASN A 23 -0.552 -14.208 5.627 1.00 0.00 C ATOM 387 C ASN A 23 -1.289 -15.323 4.882 1.00 0.00 C ATOM 388 O ASN A 23 -1.385 -16.446 5.375 1.00 0.00 O ATOM 389 CB ASN A 23 -1.294 -13.946 6.939 1.00 0.00 C ATOM 390 CG ASN A 23 -0.323 -13.914 8.121 1.00 0.00 C ATOM 391 OD1 ASN A 23 0.569 -13.086 8.203 1.00 0.00 O ATOM 392 ND2 ASN A 23 -0.546 -14.859 9.029 1.00 0.00 N ATOM 0 H ASN A 23 -1.121 -12.257 5.117 1.00 0.00 H new ATOM 0 HA ASN A 23 0.477 -14.494 5.845 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.827 -12.998 6.876 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.042 -14.722 7.099 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.048 -14.922 9.856 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.311 -15.521 8.899 1.00 0.00 H new ATOM 399 N TYR A 24 -1.792 -14.974 3.707 1.00 0.00 N ATOM 400 CA TYR A 24 -2.517 -15.931 2.889 1.00 0.00 C ATOM 401 C TYR A 24 -1.846 -16.107 1.525 1.00 0.00 C ATOM 402 O TYR A 24 -2.440 -16.667 0.605 1.00 0.00 O ATOM 403 CB TYR A 24 -3.913 -15.339 2.685 1.00 0.00 C ATOM 404 CG TYR A 24 -4.931 -15.765 3.746 1.00 0.00 C ATOM 405 CD1 TYR A 24 -5.175 -17.105 3.968 1.00 0.00 C ATOM 406 CD2 TYR A 24 -5.604 -14.810 4.479 1.00 0.00 C ATOM 407 CE1 TYR A 24 -6.133 -17.506 4.966 1.00 0.00 C ATOM 408 CE2 TYR A 24 -6.561 -15.211 5.477 1.00 0.00 C ATOM 409 CZ TYR A 24 -6.778 -16.539 5.671 1.00 0.00 C ATOM 410 OH TYR A 24 -7.683 -16.918 6.614 1.00 0.00 O ATOM 0 H TYR A 24 -1.712 -14.041 3.302 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.543 -16.907 3.373 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.839 -14.252 2.683 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.282 -15.635 1.703 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.648 -17.853 3.394 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.413 -13.761 4.304 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.334 -18.551 5.150 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.094 -14.474 6.058 1.00 0.00 H new ATOM 0 HH TYR A 24 -8.065 -16.122 7.039 1.00 0.00 H new ATOM 420 N VAL A 25 -0.618 -15.617 1.438 1.00 0.00 N ATOM 421 CA VAL A 25 0.140 -15.713 0.202 1.00 0.00 C ATOM 422 C VAL A 25 -0.085 -17.091 -0.424 1.00 0.00 C ATOM 423 O VAL A 25 -0.044 -17.236 -1.645 1.00 0.00 O ATOM 424 CB VAL A 25 1.616 -15.410 0.468 1.00 0.00 C ATOM 425 CG1 VAL A 25 1.845 -13.907 0.640 1.00 0.00 C ATOM 426 CG2 VAL A 25 2.123 -16.185 1.686 1.00 0.00 C ATOM 0 H VAL A 25 -0.129 -15.152 2.203 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.206 -14.970 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 25 2.188 -15.738 -0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.902 -13.719 0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.540 -13.386 -0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.257 -13.543 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.175 -15.952 1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.544 -15.901 2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.012 -17.255 1.509 1.00 0.00 H new ATOM 436 N ASN A 26 -0.318 -18.067 0.441 1.00 0.00 N ATOM 437 CA ASN A 26 -0.549 -19.428 -0.011 1.00 0.00 C ATOM 438 C ASN A 26 -1.550 -19.414 -1.168 1.00 0.00 C ATOM 439 O ASN A 26 -1.560 -20.323 -1.997 1.00 0.00 O ATOM 440 CB ASN A 26 -1.134 -20.290 1.109 1.00 0.00 C ATOM 441 CG ASN A 26 -1.056 -21.776 0.756 1.00 0.00 C ATOM 442 OD1 ASN A 26 -1.834 -22.297 -0.026 1.00 0.00 O ATOM 443 ND2 ASN A 26 -0.076 -22.428 1.375 1.00 0.00 N ATOM 0 H ASN A 26 -0.352 -17.942 1.453 1.00 0.00 H new ATOM 0 HA ASN A 26 0.408 -19.845 -0.324 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.592 -20.104 2.036 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.172 -20.008 1.285 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.059 -23.425 1.207 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.540 -21.931 2.018 1.00 0.00 H new ATOM 450 N ASP A 27 -2.368 -18.371 -1.187 1.00 0.00 N ATOM 451 CA ASP A 27 -3.371 -18.226 -2.229 1.00 0.00 C ATOM 452 C ASP A 27 -3.140 -16.910 -2.973 1.00 0.00 C ATOM 453 O ASP A 27 -4.054 -16.098 -3.104 1.00 0.00 O ATOM 454 CB ASP A 27 -4.780 -18.193 -1.635 1.00 0.00 C ATOM 455 CG ASP A 27 -5.281 -19.528 -1.081 1.00 0.00 C ATOM 456 OD1 ASP A 27 -4.416 -20.334 -0.675 1.00 0.00 O ATOM 457 OD2 ASP A 27 -6.517 -19.713 -1.075 1.00 0.00 O ATOM 0 H ASP A 27 -2.357 -17.619 -0.498 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.284 -19.078 -2.903 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.803 -17.453 -0.835 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.474 -17.853 -2.404 1.00 0.00 H new ATOM 462 N LEU A 28 -1.912 -16.739 -3.442 1.00 0.00 N ATOM 463 CA LEU A 28 -1.550 -15.535 -4.170 1.00 0.00 C ATOM 464 C LEU A 28 -1.047 -15.919 -5.563 1.00 0.00 C ATOM 465 O LEU A 28 -0.256 -16.850 -5.707 1.00 0.00 O ATOM 466 CB LEU A 28 -0.552 -14.702 -3.364 1.00 0.00 C ATOM 467 CG LEU A 28 -1.154 -13.631 -2.452 1.00 0.00 C ATOM 468 CD1 LEU A 28 -0.063 -12.731 -1.870 1.00 0.00 C ATOM 469 CD2 LEU A 28 -2.229 -12.828 -3.186 1.00 0.00 C ATOM 0 H LEU A 28 -1.156 -17.414 -3.332 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.423 -14.897 -4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.045 -15.378 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.131 -14.216 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.641 -14.129 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.517 -11.978 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.634 -13.334 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.473 -12.238 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.641 -12.074 -2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.788 -12.340 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.025 -13.498 -3.511 1.00 0.00 H new ATOM 481 N VAL A 29 -1.527 -15.182 -6.555 1.00 0.00 N ATOM 482 CA VAL A 29 -1.136 -15.434 -7.931 1.00 0.00 C ATOM 483 C VAL A 29 0.007 -14.491 -8.312 1.00 0.00 C ATOM 484 O VAL A 29 -0.136 -13.272 -8.232 1.00 0.00 O ATOM 485 CB VAL A 29 -2.351 -15.303 -8.852 1.00 0.00 C ATOM 486 CG1 VAL A 29 -2.513 -13.864 -9.345 1.00 0.00 C ATOM 487 CG2 VAL A 29 -2.255 -16.278 -10.028 1.00 0.00 C ATOM 0 H VAL A 29 -2.183 -14.411 -6.432 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.768 -16.454 -8.043 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.239 -15.561 -8.274 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.384 -13.799 -9.998 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.649 -13.200 -8.491 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.622 -13.566 -9.898 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.131 -16.165 -10.667 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.355 -16.065 -10.605 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.211 -17.300 -9.651 1.00 0.00 H new ATOM 497 N PRO A 30 1.145 -15.107 -8.730 1.00 0.00 N ATOM 498 CA PRO A 30 2.312 -14.337 -9.124 1.00 0.00 C ATOM 499 C PRO A 30 2.110 -13.701 -10.501 1.00 0.00 C ATOM 500 O PRO A 30 2.179 -14.385 -11.521 1.00 0.00 O ATOM 501 CB PRO A 30 3.466 -15.325 -9.089 1.00 0.00 C ATOM 502 CG PRO A 30 2.833 -16.706 -9.131 1.00 0.00 C ATOM 503 CD PRO A 30 1.350 -16.549 -8.838 1.00 0.00 C ATOM 0 HA PRO A 30 2.506 -13.496 -8.458 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.134 -15.176 -9.937 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.063 -15.196 -8.186 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.982 -17.165 -10.108 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.300 -17.362 -8.396 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.741 -16.977 -9.634 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.072 -17.059 -7.915 1.00 0.00 H new ATOM 511 N GLU A 31 1.865 -12.399 -10.486 1.00 0.00 N ATOM 512 CA GLU A 31 1.653 -11.663 -11.721 1.00 0.00 C ATOM 513 C GLU A 31 2.555 -10.428 -11.765 1.00 0.00 C ATOM 514 O GLU A 31 3.062 -9.988 -10.734 1.00 0.00 O ATOM 515 CB GLU A 31 0.182 -11.273 -11.881 1.00 0.00 C ATOM 516 CG GLU A 31 -0.650 -12.461 -12.367 1.00 0.00 C ATOM 517 CD GLU A 31 -0.595 -12.583 -13.891 1.00 0.00 C ATOM 518 OE1 GLU A 31 -0.671 -11.523 -14.548 1.00 0.00 O ATOM 519 OE2 GLU A 31 -0.477 -13.734 -14.364 1.00 0.00 O ATOM 0 H GLU A 31 1.809 -11.835 -9.638 1.00 0.00 H new ATOM 0 HA GLU A 31 1.916 -12.311 -12.557 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.209 -10.916 -10.928 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.095 -10.449 -12.590 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.279 -13.379 -11.912 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.685 -12.341 -12.045 1.00 0.00 H new ATOM 526 N PHE A 32 2.729 -9.905 -12.969 1.00 0.00 N ATOM 527 CA PHE A 32 3.562 -8.729 -13.161 1.00 0.00 C ATOM 528 C PHE A 32 2.944 -7.504 -12.485 1.00 0.00 C ATOM 529 O PHE A 32 2.102 -6.825 -13.071 1.00 0.00 O ATOM 530 CB PHE A 32 3.642 -8.479 -14.669 1.00 0.00 C ATOM 531 CG PHE A 32 4.503 -9.494 -15.423 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.859 -9.410 -15.367 1.00 0.00 C ATOM 533 CD2 PHE A 32 3.913 -10.480 -16.150 1.00 0.00 C ATOM 534 CE1 PHE A 32 6.659 -10.352 -16.067 1.00 0.00 C ATOM 535 CE2 PHE A 32 4.712 -11.422 -16.850 1.00 0.00 C ATOM 536 CZ PHE A 32 6.068 -11.338 -16.794 1.00 0.00 C ATOM 0 H PHE A 32 2.308 -10.273 -13.822 1.00 0.00 H new ATOM 0 HA PHE A 32 4.546 -8.894 -12.723 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.634 -8.494 -15.083 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.042 -7.480 -14.841 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.328 -8.627 -14.790 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.836 -10.547 -16.195 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.736 -10.285 -16.022 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.243 -12.205 -17.427 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.676 -12.054 -17.327 1.00 0.00 H new ATOM 546 N LEU A 33 3.387 -7.257 -11.261 1.00 0.00 N ATOM 547 CA LEU A 33 2.888 -6.125 -10.498 1.00 0.00 C ATOM 548 C LEU A 33 3.989 -5.069 -10.383 1.00 0.00 C ATOM 549 O LEU A 33 5.139 -5.395 -10.095 1.00 0.00 O ATOM 550 CB LEU A 33 2.337 -6.589 -9.148 1.00 0.00 C ATOM 551 CG LEU A 33 0.816 -6.551 -8.996 1.00 0.00 C ATOM 552 CD1 LEU A 33 0.124 -7.039 -10.270 1.00 0.00 C ATOM 553 CD2 LEU A 33 0.368 -7.340 -7.763 1.00 0.00 C ATOM 0 H LEU A 33 4.086 -7.821 -10.778 1.00 0.00 H new ATOM 0 HA LEU A 33 2.049 -5.658 -11.014 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.674 -7.610 -8.972 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.776 -5.969 -8.366 1.00 0.00 H new ATOM 0 HG LEU A 33 0.515 -5.515 -8.843 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.957 -7.002 -10.134 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.407 -6.399 -11.106 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.428 -8.065 -10.479 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.718 -7.297 -7.678 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.683 -8.379 -7.861 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.819 -6.907 -6.870 1.00 0.00 H new ATOM 565 N PRO A 34 3.586 -3.792 -10.621 1.00 0.00 N ATOM 566 CA PRO A 34 4.525 -2.685 -10.547 1.00 0.00 C ATOM 567 C PRO A 34 4.860 -2.346 -9.093 1.00 0.00 C ATOM 568 O PRO A 34 4.328 -1.387 -8.537 1.00 0.00 O ATOM 569 CB PRO A 34 3.845 -1.542 -11.282 1.00 0.00 C ATOM 570 CG PRO A 34 2.369 -1.901 -11.335 1.00 0.00 C ATOM 571 CD PRO A 34 2.232 -3.368 -10.964 1.00 0.00 C ATOM 0 HA PRO A 34 5.487 -2.918 -11.004 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.999 -0.597 -10.762 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.255 -1.424 -12.285 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.800 -1.278 -10.645 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.968 -1.721 -12.332 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.550 -3.502 -10.124 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.833 -3.951 -11.794 1.00 0.00 H new ATOM 579 N ALA A 35 5.740 -3.153 -8.518 1.00 0.00 N ATOM 580 CA ALA A 35 6.152 -2.951 -7.139 1.00 0.00 C ATOM 581 C ALA A 35 7.324 -1.969 -7.101 1.00 0.00 C ATOM 582 O ALA A 35 8.401 -2.261 -7.618 1.00 0.00 O ATOM 583 CB ALA A 35 6.500 -4.300 -6.507 1.00 0.00 C ATOM 0 H ALA A 35 6.179 -3.948 -8.982 1.00 0.00 H new ATOM 0 HA ALA A 35 5.340 -2.518 -6.555 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.809 -4.148 -5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.626 -4.950 -6.533 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.314 -4.764 -7.064 1.00 0.00 H new ATOM 589 N PRO A 36 7.069 -0.794 -6.465 1.00 0.00 N ATOM 590 CA PRO A 36 8.090 0.233 -6.353 1.00 0.00 C ATOM 591 C PRO A 36 9.136 -0.147 -5.302 1.00 0.00 C ATOM 592 O PRO A 36 8.790 -0.506 -4.178 1.00 0.00 O ATOM 593 CB PRO A 36 7.333 1.504 -6.004 1.00 0.00 C ATOM 594 CG PRO A 36 5.980 1.053 -5.479 1.00 0.00 C ATOM 595 CD PRO A 36 5.805 -0.413 -5.840 1.00 0.00 C ATOM 0 HA PRO A 36 8.658 0.364 -7.274 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.869 2.084 -5.253 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.219 2.143 -6.879 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.925 1.189 -4.399 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.182 1.652 -5.917 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.602 -1.017 -4.956 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.967 -0.556 -6.522 1.00 0.00 H new ATOM 603 N GLU A 37 10.395 -0.054 -5.707 1.00 0.00 N ATOM 604 CA GLU A 37 11.493 -0.384 -4.815 1.00 0.00 C ATOM 605 C GLU A 37 12.149 0.893 -4.286 1.00 0.00 C ATOM 606 O GLU A 37 12.787 1.626 -5.041 1.00 0.00 O ATOM 607 CB GLU A 37 12.519 -1.278 -5.515 1.00 0.00 C ATOM 608 CG GLU A 37 13.524 -1.848 -4.512 1.00 0.00 C ATOM 609 CD GLU A 37 14.438 -2.879 -5.178 1.00 0.00 C ATOM 610 OE1 GLU A 37 14.779 -2.656 -6.360 1.00 0.00 O ATOM 611 OE2 GLU A 37 14.775 -3.867 -4.491 1.00 0.00 O ATOM 0 H GLU A 37 10.678 0.245 -6.640 1.00 0.00 H new ATOM 0 HA GLU A 37 11.092 -0.941 -3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.007 -2.094 -6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.046 -0.705 -6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.125 -1.040 -4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.992 -2.311 -3.681 1.00 0.00 H new ATOM 618 N ASP A 38 11.970 1.121 -2.993 1.00 0.00 N ATOM 619 CA ASP A 38 12.537 2.296 -2.355 1.00 0.00 C ATOM 620 C ASP A 38 12.052 3.551 -3.084 1.00 0.00 C ATOM 621 O ASP A 38 12.546 3.877 -4.162 1.00 0.00 O ATOM 622 CB ASP A 38 14.066 2.275 -2.418 1.00 0.00 C ATOM 623 CG ASP A 38 14.766 2.098 -1.069 1.00 0.00 C ATOM 624 OD1 ASP A 38 14.389 2.835 -0.133 1.00 0.00 O ATOM 625 OD2 ASP A 38 15.664 1.230 -1.006 1.00 0.00 O ATOM 0 H ASP A 38 11.440 0.511 -2.370 1.00 0.00 H new ATOM 0 HA ASP A 38 12.219 2.299 -1.312 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.376 1.467 -3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.409 3.206 -2.869 1.00 0.00 H new ATOM 630 N VAL A 39 11.090 4.221 -2.466 1.00 0.00 N ATOM 631 CA VAL A 39 10.532 5.432 -3.042 1.00 0.00 C ATOM 632 C VAL A 39 10.978 6.638 -2.213 1.00 0.00 C ATOM 633 O VAL A 39 11.110 6.544 -0.994 1.00 0.00 O ATOM 634 CB VAL A 39 9.011 5.309 -3.147 1.00 0.00 C ATOM 635 CG1 VAL A 39 8.589 4.930 -4.569 1.00 0.00 C ATOM 636 CG2 VAL A 39 8.470 4.304 -2.128 1.00 0.00 C ATOM 0 H VAL A 39 10.683 3.948 -1.572 1.00 0.00 H new ATOM 0 HA VAL A 39 10.904 5.579 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 39 8.579 6.283 -2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.503 4.849 -4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.927 5.698 -5.265 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.036 3.973 -4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.386 4.236 -2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.913 3.325 -2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.725 4.634 -1.121 1.00 0.00 H new ATOM 646 N GLU A 40 11.198 7.745 -2.908 1.00 0.00 N ATOM 647 CA GLU A 40 11.627 8.968 -2.252 1.00 0.00 C ATOM 648 C GLU A 40 10.638 9.353 -1.150 1.00 0.00 C ATOM 649 O GLU A 40 9.519 8.844 -1.108 1.00 0.00 O ATOM 650 CB GLU A 40 11.791 10.104 -3.263 1.00 0.00 C ATOM 651 CG GLU A 40 12.394 11.345 -2.601 1.00 0.00 C ATOM 652 CD GLU A 40 13.074 12.243 -3.635 1.00 0.00 C ATOM 653 OE1 GLU A 40 12.354 13.081 -4.220 1.00 0.00 O ATOM 654 OE2 GLU A 40 14.299 12.072 -3.818 1.00 0.00 O ATOM 0 H GLU A 40 11.087 7.820 -3.919 1.00 0.00 H new ATOM 0 HA GLU A 40 12.600 8.790 -1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.432 9.777 -4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.822 10.353 -3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.612 11.904 -2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.118 11.042 -1.845 1.00 0.00 H new ATOM 661 N THR A 41 11.086 10.250 -0.284 1.00 0.00 N ATOM 662 CA THR A 41 10.255 10.710 0.816 1.00 0.00 C ATOM 663 C THR A 41 8.912 11.223 0.291 1.00 0.00 C ATOM 664 O THR A 41 7.876 11.020 0.922 1.00 0.00 O ATOM 665 CB THR A 41 11.044 11.762 1.597 1.00 0.00 C ATOM 666 OG1 THR A 41 11.483 11.071 2.764 1.00 0.00 O ATOM 667 CG2 THR A 41 10.151 12.880 2.141 1.00 0.00 C ATOM 0 H THR A 41 12.014 10.671 -0.322 1.00 0.00 H new ATOM 0 HA THR A 41 10.012 9.894 1.497 1.00 0.00 H new ATOM 0 HB THR A 41 11.812 12.191 0.953 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.005 11.679 3.327 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.761 13.600 2.687 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.651 13.382 1.313 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.404 12.455 2.811 1.00 0.00 H new ATOM 675 N ASN A 42 8.975 11.879 -0.859 1.00 0.00 N ATOM 676 CA ASN A 42 7.777 12.423 -1.476 1.00 0.00 C ATOM 677 C ASN A 42 7.431 11.601 -2.720 1.00 0.00 C ATOM 678 O ASN A 42 6.955 12.146 -3.715 1.00 0.00 O ATOM 679 CB ASN A 42 7.992 13.873 -1.912 1.00 0.00 C ATOM 680 CG ASN A 42 7.711 14.839 -0.759 1.00 0.00 C ATOM 681 OD1 ASN A 42 6.625 14.887 -0.205 1.00 0.00 O ATOM 682 ND2 ASN A 42 8.749 15.604 -0.430 1.00 0.00 N ATOM 0 H ASN A 42 9.836 12.046 -1.379 1.00 0.00 H new ATOM 0 HA ASN A 42 6.972 12.383 -0.742 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.017 14.004 -2.259 1.00 0.00 H new ATOM 0 HB3 ASN A 42 7.338 14.105 -2.753 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.663 16.282 0.327 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.630 15.513 -0.935 1.00 0.00 H new ATOM 689 N CYS A 43 7.684 10.305 -2.623 1.00 0.00 N ATOM 690 CA CYS A 43 7.406 9.403 -3.728 1.00 0.00 C ATOM 691 C CYS A 43 6.412 8.345 -3.246 1.00 0.00 C ATOM 692 O CYS A 43 5.497 7.969 -3.977 1.00 0.00 O ATOM 693 CB CYS A 43 8.686 8.773 -4.281 1.00 0.00 C ATOM 694 SG CYS A 43 9.151 9.328 -5.962 1.00 0.00 S ATOM 0 H CYS A 43 8.079 9.857 -1.796 1.00 0.00 H new ATOM 0 HA CYS A 43 6.968 9.962 -4.555 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.507 8.996 -3.600 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.566 7.690 -4.292 1.00 0.00 H new ATOM 699 N GLU A 44 6.625 7.894 -2.018 1.00 0.00 N ATOM 700 CA GLU A 44 5.759 6.887 -1.430 1.00 0.00 C ATOM 701 C GLU A 44 4.312 7.103 -1.879 1.00 0.00 C ATOM 702 O GLU A 44 3.554 6.145 -2.023 1.00 0.00 O ATOM 703 CB GLU A 44 5.866 6.895 0.097 1.00 0.00 C ATOM 704 CG GLU A 44 7.204 6.310 0.555 1.00 0.00 C ATOM 705 CD GLU A 44 7.885 7.228 1.572 1.00 0.00 C ATOM 706 OE1 GLU A 44 7.885 8.453 1.319 1.00 0.00 O ATOM 707 OE2 GLU A 44 8.389 6.686 2.578 1.00 0.00 O ATOM 0 H GLU A 44 7.385 8.208 -1.414 1.00 0.00 H new ATOM 0 HA GLU A 44 6.085 5.907 -1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.765 7.915 0.467 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.047 6.318 0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.043 5.327 0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.857 6.168 -0.306 1.00 0.00 H new ATOM 714 N TRP A 45 3.973 8.367 -2.087 1.00 0.00 N ATOM 715 CA TRP A 45 2.631 8.720 -2.516 1.00 0.00 C ATOM 716 C TRP A 45 2.515 8.408 -4.009 1.00 0.00 C ATOM 717 O TRP A 45 1.704 7.575 -4.412 1.00 0.00 O ATOM 718 CB TRP A 45 2.316 10.180 -2.184 1.00 0.00 C ATOM 719 CG TRP A 45 2.065 10.441 -0.698 1.00 0.00 C ATOM 720 CD1 TRP A 45 2.903 10.979 0.199 1.00 0.00 C ATOM 721 CD2 TRP A 45 0.855 10.151 0.034 1.00 0.00 C ATOM 722 NE1 TRP A 45 2.325 11.056 1.449 1.00 0.00 N ATOM 723 CE2 TRP A 45 1.040 10.537 1.346 1.00 0.00 C ATOM 724 CE3 TRP A 45 -0.355 9.581 -0.399 1.00 0.00 C ATOM 725 CZ2 TRP A 45 0.056 10.395 2.332 1.00 0.00 C ATOM 726 CZ3 TRP A 45 -1.328 9.446 0.599 1.00 0.00 C ATOM 727 CH2 TRP A 45 -1.158 9.830 1.924 1.00 0.00 C ATOM 0 H TRP A 45 4.605 9.159 -1.966 1.00 0.00 H new ATOM 0 HA TRP A 45 1.887 8.132 -1.979 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.145 10.804 -2.517 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.437 10.489 -2.750 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.905 11.311 -0.028 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.761 11.426 2.294 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.521 9.272 -1.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.225 10.705 3.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.277 9.013 0.320 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.959 9.693 2.635 1.00 0.00 H new ATOM 738 N SER A 46 3.337 9.094 -4.790 1.00 0.00 N ATOM 739 CA SER A 46 3.336 8.900 -6.230 1.00 0.00 C ATOM 740 C SER A 46 3.441 7.409 -6.558 1.00 0.00 C ATOM 741 O SER A 46 3.033 6.976 -7.634 1.00 0.00 O ATOM 742 CB SER A 46 4.482 9.670 -6.890 1.00 0.00 C ATOM 743 OG SER A 46 5.609 8.837 -7.143 1.00 0.00 O ATOM 0 H SER A 46 4.008 9.784 -4.453 1.00 0.00 H new ATOM 0 HA SER A 46 2.397 9.287 -6.626 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.134 10.104 -7.827 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.780 10.498 -6.247 1.00 0.00 H new ATOM 0 HG SER A 46 6.318 9.365 -7.566 1.00 0.00 H new ATOM 749 N ALA A 47 3.991 6.665 -5.609 1.00 0.00 N ATOM 750 CA ALA A 47 4.154 5.232 -5.784 1.00 0.00 C ATOM 751 C ALA A 47 2.873 4.519 -5.346 1.00 0.00 C ATOM 752 O ALA A 47 2.513 3.483 -5.902 1.00 0.00 O ATOM 753 CB ALA A 47 5.381 4.759 -5.001 1.00 0.00 C ATOM 0 H ALA A 47 4.329 7.028 -4.717 1.00 0.00 H new ATOM 0 HA ALA A 47 4.323 4.991 -6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.504 3.684 -5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.268 5.273 -5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.246 4.983 -3.943 1.00 0.00 H new ATOM 759 N PHE A 48 2.219 5.103 -4.352 1.00 0.00 N ATOM 760 CA PHE A 48 0.986 4.537 -3.833 1.00 0.00 C ATOM 761 C PHE A 48 0.089 4.041 -4.970 1.00 0.00 C ATOM 762 O PHE A 48 -0.413 2.919 -4.924 1.00 0.00 O ATOM 763 CB PHE A 48 0.262 5.656 -3.081 1.00 0.00 C ATOM 764 CG PHE A 48 -0.759 5.157 -2.057 1.00 0.00 C ATOM 765 CD1 PHE A 48 -1.708 4.255 -2.426 1.00 0.00 C ATOM 766 CD2 PHE A 48 -0.719 5.616 -0.777 1.00 0.00 C ATOM 767 CE1 PHE A 48 -2.656 3.792 -1.476 1.00 0.00 C ATOM 768 CE2 PHE A 48 -1.667 5.153 0.173 1.00 0.00 C ATOM 769 CZ PHE A 48 -2.616 4.251 -0.196 1.00 0.00 C ATOM 0 H PHE A 48 2.520 5.962 -3.893 1.00 0.00 H new ATOM 0 HA PHE A 48 1.210 3.689 -3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.001 6.274 -2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.245 6.296 -3.803 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.740 3.891 -3.442 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.034 6.333 -0.484 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.409 3.075 -1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.635 5.517 1.189 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.337 3.899 0.527 1.00 0.00 H new ATOM 779 N SER A 49 -0.084 4.901 -5.963 1.00 0.00 N ATOM 780 CA SER A 49 -0.911 4.564 -7.109 1.00 0.00 C ATOM 781 C SER A 49 -0.440 3.245 -7.724 1.00 0.00 C ATOM 782 O SER A 49 -1.254 2.439 -8.172 1.00 0.00 O ATOM 783 CB SER A 49 -0.880 5.679 -8.156 1.00 0.00 C ATOM 784 OG SER A 49 -2.055 5.686 -8.963 1.00 0.00 O ATOM 0 H SER A 49 0.334 5.831 -5.998 1.00 0.00 H new ATOM 0 HA SER A 49 -1.940 4.451 -6.768 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.777 6.642 -7.657 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.004 5.555 -8.792 1.00 0.00 H new ATOM 0 HG SER A 49 -1.998 6.413 -9.618 1.00 0.00 H new ATOM 790 N CYS A 50 0.873 3.065 -7.726 1.00 0.00 N ATOM 791 CA CYS A 50 1.462 1.857 -8.279 1.00 0.00 C ATOM 792 C CYS A 50 0.782 0.650 -7.629 1.00 0.00 C ATOM 793 O CYS A 50 0.593 -0.381 -8.272 1.00 0.00 O ATOM 794 CB CYS A 50 2.979 1.829 -8.087 1.00 0.00 C ATOM 795 SG CYS A 50 3.861 3.301 -8.724 1.00 0.00 S ATOM 0 H CYS A 50 1.545 3.735 -7.353 1.00 0.00 H new ATOM 0 HA CYS A 50 1.297 1.829 -9.356 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.195 1.726 -7.024 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.377 0.942 -8.581 1.00 0.00 H new ATOM 800 N PHE A 51 0.432 0.819 -6.362 1.00 0.00 N ATOM 801 CA PHE A 51 -0.223 -0.243 -5.619 1.00 0.00 C ATOM 802 C PHE A 51 -1.731 -0.245 -5.878 1.00 0.00 C ATOM 803 O PHE A 51 -2.395 -1.263 -5.691 1.00 0.00 O ATOM 804 CB PHE A 51 0.027 0.031 -4.134 1.00 0.00 C ATOM 805 CG PHE A 51 1.506 0.047 -3.745 1.00 0.00 C ATOM 806 CD1 PHE A 51 2.248 1.170 -3.939 1.00 0.00 C ATOM 807 CD2 PHE A 51 2.079 -1.061 -3.204 1.00 0.00 C ATOM 808 CE1 PHE A 51 3.621 1.185 -3.578 1.00 0.00 C ATOM 809 CE2 PHE A 51 3.452 -1.046 -2.842 1.00 0.00 C ATOM 810 CZ PHE A 51 4.194 0.077 -3.037 1.00 0.00 C ATOM 0 H PHE A 51 0.590 1.676 -5.832 1.00 0.00 H new ATOM 0 HA PHE A 51 0.172 -1.211 -5.927 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.417 0.991 -3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.485 -0.729 -3.544 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.793 2.051 -4.368 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.490 -1.953 -3.050 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.210 2.077 -3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.907 -1.926 -2.412 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.238 0.089 -2.762 1.00 0.00 H new ATOM 820 N GLN A 52 -2.227 0.907 -6.305 1.00 0.00 N ATOM 821 CA GLN A 52 -3.644 1.051 -6.592 1.00 0.00 C ATOM 822 C GLN A 52 -3.969 0.467 -7.968 1.00 0.00 C ATOM 823 O GLN A 52 -5.118 0.127 -8.247 1.00 0.00 O ATOM 824 CB GLN A 52 -4.076 2.516 -6.502 1.00 0.00 C ATOM 825 CG GLN A 52 -5.420 2.648 -5.784 1.00 0.00 C ATOM 826 CD GLN A 52 -6.471 3.280 -6.699 1.00 0.00 C ATOM 827 OE1 GLN A 52 -6.403 3.198 -7.914 1.00 0.00 O ATOM 828 NE2 GLN A 52 -7.443 3.915 -6.049 1.00 0.00 N ATOM 0 H GLN A 52 -1.673 1.749 -6.459 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.205 0.495 -5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.318 3.090 -5.970 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.152 2.939 -7.504 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.760 1.665 -5.458 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.299 3.257 -4.888 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.439 3.945 -5.029 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.192 4.371 -6.570 1.00 0.00 H new ATOM 837 N LYS A 53 -2.936 0.368 -8.792 1.00 0.00 N ATOM 838 CA LYS A 53 -3.097 -0.168 -10.133 1.00 0.00 C ATOM 839 C LYS A 53 -2.648 -1.631 -10.149 1.00 0.00 C ATOM 840 O LYS A 53 -3.222 -2.452 -10.863 1.00 0.00 O ATOM 841 CB LYS A 53 -2.370 0.710 -11.153 1.00 0.00 C ATOM 842 CG LYS A 53 -0.853 0.615 -10.975 1.00 0.00 C ATOM 843 CD LYS A 53 -0.122 1.385 -12.077 1.00 0.00 C ATOM 844 CE LYS A 53 -0.118 0.594 -13.387 1.00 0.00 C ATOM 845 NZ LYS A 53 -0.314 1.501 -14.540 1.00 0.00 N ATOM 0 H LYS A 53 -1.984 0.650 -8.557 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.147 -0.152 -10.426 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.641 0.402 -12.163 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.689 1.746 -11.039 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.572 1.014 -10.000 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.546 -0.431 -10.992 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.604 2.350 -12.232 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.903 1.587 -11.766 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.826 0.060 -13.493 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.909 -0.156 -13.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.309 0.949 -15.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.226 1.992 -14.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.455 2.201 -14.566 1.00 0.00 H new ATOM 859 N ALA A 54 -1.626 -1.912 -9.355 1.00 0.00 N ATOM 860 CA ALA A 54 -1.093 -3.261 -9.269 1.00 0.00 C ATOM 861 C ALA A 54 -2.249 -4.263 -9.286 1.00 0.00 C ATOM 862 O ALA A 54 -2.308 -5.133 -10.153 1.00 0.00 O ATOM 863 CB ALA A 54 -0.228 -3.389 -8.013 1.00 0.00 C ATOM 0 H ALA A 54 -1.152 -1.228 -8.765 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.456 -3.478 -10.127 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.172 -4.401 -7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.595 -2.676 -8.064 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.834 -3.181 -7.131 1.00 0.00 H new ATOM 869 N GLN A 55 -3.140 -4.107 -8.318 1.00 0.00 N ATOM 870 CA GLN A 55 -4.291 -4.987 -8.210 1.00 0.00 C ATOM 871 C GLN A 55 -3.840 -6.411 -7.880 1.00 0.00 C ATOM 872 O GLN A 55 -3.542 -7.197 -8.778 1.00 0.00 O ATOM 873 CB GLN A 55 -5.124 -4.959 -9.493 1.00 0.00 C ATOM 874 CG GLN A 55 -6.235 -6.010 -9.449 1.00 0.00 C ATOM 875 CD GLN A 55 -6.903 -6.160 -10.817 1.00 0.00 C ATOM 876 OE1 GLN A 55 -6.300 -5.951 -11.857 1.00 0.00 O ATOM 877 NE2 GLN A 55 -8.178 -6.534 -10.758 1.00 0.00 N ATOM 0 H GLN A 55 -3.088 -3.384 -7.601 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.923 -4.629 -7.397 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.560 -3.969 -9.626 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.480 -5.142 -10.353 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.821 -6.968 -9.135 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.980 -5.726 -8.706 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.622 -6.692 -9.853 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.712 -6.663 -11.617 1.00 0.00 H new ATOM 886 N LEU A 56 -3.805 -6.702 -6.587 1.00 0.00 N ATOM 887 CA LEU A 56 -3.396 -8.018 -6.127 1.00 0.00 C ATOM 888 C LEU A 56 -4.502 -9.028 -6.437 1.00 0.00 C ATOM 889 O LEU A 56 -5.686 -8.715 -6.315 1.00 0.00 O ATOM 890 CB LEU A 56 -3.003 -7.970 -4.649 1.00 0.00 C ATOM 891 CG LEU A 56 -2.786 -9.323 -3.969 1.00 0.00 C ATOM 892 CD1 LEU A 56 -4.122 -9.992 -3.640 1.00 0.00 C ATOM 893 CD2 LEU A 56 -1.887 -10.225 -4.817 1.00 0.00 C ATOM 0 H LEU A 56 -4.053 -6.049 -5.844 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.504 -8.348 -6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.086 -7.388 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.779 -7.432 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.271 -9.151 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.939 -10.952 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.694 -9.352 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.686 -10.150 -4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.749 -11.180 -4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.352 -10.393 -5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.918 -9.745 -4.957 1.00 0.00 H new ATOM 905 N LYS A 57 -4.078 -10.220 -6.831 1.00 0.00 N ATOM 906 CA LYS A 57 -5.018 -11.278 -7.159 1.00 0.00 C ATOM 907 C LYS A 57 -4.529 -12.595 -6.553 1.00 0.00 C ATOM 908 O LYS A 57 -3.326 -12.804 -6.401 1.00 0.00 O ATOM 909 CB LYS A 57 -5.244 -11.344 -8.671 1.00 0.00 C ATOM 910 CG LYS A 57 -6.691 -11.724 -8.993 1.00 0.00 C ATOM 911 CD LYS A 57 -7.634 -10.542 -8.756 1.00 0.00 C ATOM 912 CE LYS A 57 -9.058 -10.879 -9.202 1.00 0.00 C ATOM 913 NZ LYS A 57 -10.000 -9.825 -8.767 1.00 0.00 N ATOM 0 H LYS A 57 -3.096 -10.476 -6.930 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.994 -11.069 -6.722 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.009 -10.379 -9.120 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.566 -12.074 -9.112 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.763 -12.049 -10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.996 -12.567 -8.373 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.633 -10.278 -7.698 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.275 -9.670 -9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.091 -10.980 -10.287 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.359 -11.839 -8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.962 -10.069 -9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.980 -9.748 -7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.721 -8.915 -9.187 1.00 0.00 H new ATOM 927 N SER A 58 -5.486 -13.449 -6.222 1.00 0.00 N ATOM 928 CA SER A 58 -5.168 -14.740 -5.636 1.00 0.00 C ATOM 929 C SER A 58 -5.182 -15.823 -6.716 1.00 0.00 C ATOM 930 O SER A 58 -5.785 -15.643 -7.773 1.00 0.00 O ATOM 931 CB SER A 58 -6.150 -15.093 -4.516 1.00 0.00 C ATOM 932 OG SER A 58 -7.464 -14.614 -4.788 1.00 0.00 O ATOM 0 H SER A 58 -6.483 -13.272 -6.349 1.00 0.00 H new ATOM 0 HA SER A 58 -4.170 -14.682 -5.202 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.178 -16.175 -4.386 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.796 -14.668 -3.577 1.00 0.00 H new ATOM 0 HG SER A 58 -7.906 -15.215 -5.423 1.00 0.00 H new ATOM 938 N ALA A 59 -4.511 -16.924 -6.413 1.00 0.00 N ATOM 939 CA ALA A 59 -4.439 -18.037 -7.345 1.00 0.00 C ATOM 940 C ALA A 59 -5.856 -18.482 -7.712 1.00 0.00 C ATOM 941 O ALA A 59 -6.056 -19.160 -8.718 1.00 0.00 O ATOM 942 CB ALA A 59 -3.614 -19.168 -6.727 1.00 0.00 C ATOM 0 H ALA A 59 -4.012 -17.070 -5.535 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.940 -17.735 -8.266 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.560 -20.003 -7.426 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.608 -18.809 -6.512 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.086 -19.499 -5.802 1.00 0.00 H new ATOM 948 N ASN A 60 -6.803 -18.082 -6.875 1.00 0.00 N ATOM 949 CA ASN A 60 -8.195 -18.431 -7.099 1.00 0.00 C ATOM 950 C ASN A 60 -8.338 -19.954 -7.117 1.00 0.00 C ATOM 951 O ASN A 60 -9.003 -20.509 -7.991 1.00 0.00 O ATOM 952 CB ASN A 60 -8.688 -17.894 -8.445 1.00 0.00 C ATOM 953 CG ASN A 60 -8.057 -16.537 -8.758 1.00 0.00 C ATOM 954 OD1 ASN A 60 -7.385 -16.352 -9.759 1.00 0.00 O ATOM 955 ND2 ASN A 60 -8.309 -15.600 -7.848 1.00 0.00 N ATOM 0 H ASN A 60 -6.633 -17.520 -6.041 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.786 -17.990 -6.296 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.443 -18.604 -9.235 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.774 -17.799 -8.427 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.932 -14.660 -7.966 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.880 -15.822 -7.032 1.00 0.00 H new ATOM 962 N THR A 61 -7.703 -20.588 -6.142 1.00 0.00 N ATOM 963 CA THR A 61 -7.751 -22.036 -6.034 1.00 0.00 C ATOM 964 C THR A 61 -7.897 -22.457 -4.570 1.00 0.00 C ATOM 965 O THR A 61 -7.553 -23.581 -4.207 1.00 0.00 O ATOM 966 CB THR A 61 -6.499 -22.602 -6.707 1.00 0.00 C ATOM 967 OG1 THR A 61 -6.685 -24.014 -6.654 1.00 0.00 O ATOM 968 CG2 THR A 61 -5.232 -22.361 -5.884 1.00 0.00 C ATOM 0 H THR A 61 -7.152 -20.125 -5.419 1.00 0.00 H new ATOM 0 HA THR A 61 -8.624 -22.442 -6.545 1.00 0.00 H new ATOM 0 HB THR A 61 -6.382 -22.152 -7.693 1.00 0.00 H new ATOM 0 HG1 THR A 61 -6.951 -24.275 -5.748 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.373 -22.782 -6.407 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.085 -21.290 -5.748 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.334 -22.839 -4.910 1.00 0.00 H new ATOM 976 N GLY A 62 -8.409 -21.534 -3.770 1.00 0.00 N ATOM 977 CA GLY A 62 -8.605 -21.795 -2.354 1.00 0.00 C ATOM 978 C GLY A 62 -9.832 -21.051 -1.824 1.00 0.00 C ATOM 979 O GLY A 62 -10.468 -20.294 -2.556 1.00 0.00 O ATOM 0 H GLY A 62 -8.694 -20.604 -4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.726 -22.866 -2.191 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.720 -21.486 -1.798 1.00 0.00 H new ATOM 983 N ASN A 63 -10.128 -21.292 -0.555 1.00 0.00 N ATOM 984 CA ASN A 63 -11.268 -20.654 0.082 1.00 0.00 C ATOM 985 C ASN A 63 -10.900 -19.216 0.453 1.00 0.00 C ATOM 986 O ASN A 63 -11.756 -18.333 0.450 1.00 0.00 O ATOM 987 CB ASN A 63 -11.663 -21.387 1.365 1.00 0.00 C ATOM 988 CG ASN A 63 -13.159 -21.233 1.647 1.00 0.00 C ATOM 989 OD1 ASN A 63 -13.721 -20.152 1.577 1.00 0.00 O ATOM 990 ND2 ASN A 63 -13.769 -22.370 1.968 1.00 0.00 N ATOM 0 H ASN A 63 -9.598 -21.920 0.049 1.00 0.00 H new ATOM 0 HA ASN A 63 -12.103 -20.678 -0.618 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.413 -22.444 1.275 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -11.089 -20.994 2.204 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.768 -22.372 2.174 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.238 -23.240 2.008 1.00 0.00 H new ATOM 997 N ASN A 64 -9.626 -19.026 0.763 1.00 0.00 N ATOM 998 CA ASN A 64 -9.135 -17.711 1.136 1.00 0.00 C ATOM 999 C ASN A 64 -9.407 -16.728 -0.005 1.00 0.00 C ATOM 1000 O ASN A 64 -9.371 -15.514 0.195 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.626 -17.737 1.387 1.00 0.00 C ATOM 1002 CG ASN A 64 -7.227 -18.969 2.202 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -8.023 -19.558 2.914 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -5.953 -19.323 2.058 1.00 0.00 N ATOM 0 H ASN A 64 -8.919 -19.761 0.763 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.647 -17.406 2.049 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.095 -17.739 0.435 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.326 -16.833 1.917 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.589 -20.132 2.561 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.340 -18.785 1.445 1.00 0.00 H new ATOM 1011 N GLU A 65 -9.674 -17.288 -1.175 1.00 0.00 N ATOM 1012 CA GLU A 65 -9.953 -16.476 -2.347 1.00 0.00 C ATOM 1013 C GLU A 65 -10.834 -15.283 -1.970 1.00 0.00 C ATOM 1014 O GLU A 65 -10.702 -14.203 -2.544 1.00 0.00 O ATOM 1015 CB GLU A 65 -10.605 -17.311 -3.451 1.00 0.00 C ATOM 1016 CG GLU A 65 -10.608 -16.556 -4.781 1.00 0.00 C ATOM 1017 CD GLU A 65 -11.914 -15.781 -4.969 1.00 0.00 C ATOM 1018 OE1 GLU A 65 -12.978 -16.424 -4.843 1.00 0.00 O ATOM 1019 OE2 GLU A 65 -11.818 -14.563 -5.234 1.00 0.00 O ATOM 0 H GLU A 65 -9.703 -18.295 -1.337 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.007 -16.097 -2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.068 -18.253 -3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.628 -17.560 -3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.764 -15.867 -4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.477 -17.260 -5.603 1.00 0.00 H new ATOM 1026 N ARG A 66 -11.712 -15.519 -1.006 1.00 0.00 N ATOM 1027 CA ARG A 66 -12.614 -14.477 -0.545 1.00 0.00 C ATOM 1028 C ARG A 66 -11.906 -13.569 0.463 1.00 0.00 C ATOM 1029 O ARG A 66 -11.900 -12.349 0.307 1.00 0.00 O ATOM 1030 CB ARG A 66 -13.860 -15.078 0.108 1.00 0.00 C ATOM 1031 CG ARG A 66 -14.142 -16.480 -0.435 1.00 0.00 C ATOM 1032 CD ARG A 66 -15.647 -16.748 -0.506 1.00 0.00 C ATOM 1033 NE ARG A 66 -15.950 -17.627 -1.658 1.00 0.00 N ATOM 1034 CZ ARG A 66 -17.048 -18.390 -1.752 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -17.953 -18.387 -0.764 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -17.241 -19.156 -2.834 1.00 0.00 N ATOM 0 H ARG A 66 -11.818 -16.416 -0.532 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.918 -13.893 -1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.723 -15.124 1.188 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.719 -14.433 -0.077 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.703 -16.585 -1.427 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.666 -17.224 0.204 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.986 -17.216 0.418 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.188 -15.807 -0.604 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.282 -17.654 -2.428 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.807 -17.804 0.060 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -18.788 -18.968 -0.836 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.552 -19.159 -3.586 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.077 -19.737 -2.905 1.00 0.00 H new ATOM 1050 N ILE A 67 -11.327 -14.200 1.474 1.00 0.00 N ATOM 1051 CA ILE A 67 -10.617 -13.464 2.507 1.00 0.00 C ATOM 1052 C ILE A 67 -9.515 -12.622 1.861 1.00 0.00 C ATOM 1053 O ILE A 67 -8.934 -11.752 2.508 1.00 0.00 O ATOM 1054 CB ILE A 67 -10.109 -14.417 3.590 1.00 0.00 C ATOM 1055 CG1 ILE A 67 -10.091 -13.732 4.958 1.00 0.00 C ATOM 1056 CG2 ILE A 67 -8.740 -14.990 3.218 1.00 0.00 C ATOM 1057 CD1 ILE A 67 -11.513 -13.513 5.480 1.00 0.00 C ATOM 0 H ILE A 67 -11.335 -15.212 1.600 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.290 -12.773 3.014 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.801 -15.256 3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.529 -14.341 5.666 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.576 -12.774 4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.402 -15.664 4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.818 -15.538 2.279 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.024 -14.176 3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.472 -13.025 6.454 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.064 -12.884 4.781 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -12.017 -14.475 5.577 1.00 0.00 H new ATOM 1069 N ILE A 68 -9.260 -12.910 0.594 1.00 0.00 N ATOM 1070 CA ILE A 68 -8.237 -12.191 -0.146 1.00 0.00 C ATOM 1071 C ILE A 68 -8.856 -10.946 -0.784 1.00 0.00 C ATOM 1072 O ILE A 68 -8.328 -9.844 -0.642 1.00 0.00 O ATOM 1073 CB ILE A 68 -7.549 -13.119 -1.150 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -6.092 -13.368 -0.757 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -7.673 -12.574 -2.574 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -5.940 -14.709 -0.036 1.00 0.00 C ATOM 0 H ILE A 68 -9.744 -13.632 0.060 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.451 -11.848 0.526 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.058 -14.083 -1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.464 -13.357 -1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.743 -12.562 -0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.176 -13.252 -3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.726 -12.490 -2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.205 -11.591 -2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.895 -14.861 0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.550 -14.708 0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.267 -15.515 -0.693 1.00 0.00 H new ATOM 1088 N ASN A 69 -9.967 -11.163 -1.473 1.00 0.00 N ATOM 1089 CA ASN A 69 -10.663 -10.072 -2.134 1.00 0.00 C ATOM 1090 C ASN A 69 -11.203 -9.104 -1.078 1.00 0.00 C ATOM 1091 O ASN A 69 -11.072 -7.890 -1.220 1.00 0.00 O ATOM 1092 CB ASN A 69 -11.849 -10.590 -2.950 1.00 0.00 C ATOM 1093 CG ASN A 69 -12.778 -9.443 -3.355 1.00 0.00 C ATOM 1094 OD1 ASN A 69 -12.451 -8.606 -4.179 1.00 0.00 O ATOM 1095 ND2 ASN A 69 -13.952 -9.453 -2.730 1.00 0.00 N ATOM 0 H ASN A 69 -10.402 -12.078 -1.588 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.957 -9.575 -2.799 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -11.486 -11.101 -3.842 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -12.404 -11.324 -2.366 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -14.643 -8.730 -2.930 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.162 -10.184 -2.050 1.00 0.00 H new ATOM 1102 N VAL A 70 -11.798 -9.679 -0.043 1.00 0.00 N ATOM 1103 CA VAL A 70 -12.358 -8.883 1.035 1.00 0.00 C ATOM 1104 C VAL A 70 -11.431 -7.700 1.324 1.00 0.00 C ATOM 1105 O VAL A 70 -11.893 -6.573 1.493 1.00 0.00 O ATOM 1106 CB VAL A 70 -12.603 -9.763 2.263 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -13.417 -11.005 1.893 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -11.283 -10.152 2.931 1.00 0.00 C ATOM 0 H VAL A 70 -11.904 -10.687 0.071 1.00 0.00 H new ATOM 0 HA VAL A 70 -13.326 -8.475 0.745 1.00 0.00 H new ATOM 0 HB VAL A 70 -13.183 -9.183 2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.577 -11.613 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.380 -10.700 1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.874 -11.587 1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.486 -10.777 3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.666 -10.705 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.756 -9.252 3.246 1.00 0.00 H new ATOM 1118 N SER A 71 -10.141 -7.997 1.371 1.00 0.00 N ATOM 1119 CA SER A 71 -9.146 -6.972 1.636 1.00 0.00 C ATOM 1120 C SER A 71 -8.994 -6.062 0.415 1.00 0.00 C ATOM 1121 O SER A 71 -8.961 -4.840 0.548 1.00 0.00 O ATOM 1122 CB SER A 71 -7.798 -7.595 2.004 1.00 0.00 C ATOM 1123 OG SER A 71 -7.886 -8.405 3.173 1.00 0.00 O ATOM 0 H SER A 71 -9.762 -8.933 1.230 1.00 0.00 H new ATOM 0 HA SER A 71 -9.485 -6.378 2.485 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.438 -8.199 1.171 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.065 -6.804 2.165 1.00 0.00 H new ATOM 0 HG SER A 71 -7.006 -8.786 3.374 1.00 0.00 H new ATOM 1129 N ILE A 72 -8.906 -6.693 -0.747 1.00 0.00 N ATOM 1130 CA ILE A 72 -8.759 -5.956 -1.990 1.00 0.00 C ATOM 1131 C ILE A 72 -9.647 -4.710 -1.947 1.00 0.00 C ATOM 1132 O ILE A 72 -9.154 -3.588 -2.056 1.00 0.00 O ATOM 1133 CB ILE A 72 -9.034 -6.866 -3.189 1.00 0.00 C ATOM 1134 CG1 ILE A 72 -7.998 -7.989 -3.273 1.00 0.00 C ATOM 1135 CG2 ILE A 72 -9.109 -6.057 -4.485 1.00 0.00 C ATOM 1136 CD1 ILE A 72 -8.310 -8.936 -4.433 1.00 0.00 C ATOM 0 H ILE A 72 -8.934 -7.707 -0.853 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.732 -5.612 -2.110 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.007 -7.336 -3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.004 -7.562 -3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.984 -8.547 -2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.305 -6.728 -5.322 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.913 -5.325 -4.411 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.162 -5.542 -4.647 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.559 -9.725 -4.471 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.295 -9.379 -4.286 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.299 -8.379 -5.370 1.00 0.00 H new ATOM 1148 N LYS A 73 -10.940 -4.950 -1.788 1.00 0.00 N ATOM 1149 CA LYS A 73 -11.901 -3.861 -1.730 1.00 0.00 C ATOM 1150 C LYS A 73 -11.289 -2.687 -0.963 1.00 0.00 C ATOM 1151 O LYS A 73 -11.461 -1.532 -1.349 1.00 0.00 O ATOM 1152 CB LYS A 73 -13.229 -4.350 -1.148 1.00 0.00 C ATOM 1153 CG LYS A 73 -14.262 -4.576 -2.255 1.00 0.00 C ATOM 1154 CD LYS A 73 -15.684 -4.378 -1.726 1.00 0.00 C ATOM 1155 CE LYS A 73 -16.719 -4.688 -2.809 1.00 0.00 C ATOM 1156 NZ LYS A 73 -17.967 -5.201 -2.201 1.00 0.00 N ATOM 0 H LYS A 73 -11.345 -5.882 -1.698 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.131 -3.502 -2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.070 -5.278 -0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.609 -3.619 -0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.076 -3.885 -3.077 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.156 -5.584 -2.656 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.849 -5.025 -0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.808 -3.351 -1.382 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.932 -3.788 -3.386 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.317 -5.424 -3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.659 -5.406 -2.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.762 -6.072 -1.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.358 -4.486 -1.555 1.00 0.00 H new ATOM 1170 N LYS A 74 -10.588 -3.023 0.110 1.00 0.00 N ATOM 1171 CA LYS A 74 -9.950 -2.012 0.935 1.00 0.00 C ATOM 1172 C LYS A 74 -8.574 -1.680 0.354 1.00 0.00 C ATOM 1173 O LYS A 74 -8.314 -0.538 -0.023 1.00 0.00 O ATOM 1174 CB LYS A 74 -9.909 -2.460 2.397 1.00 0.00 C ATOM 1175 CG LYS A 74 -9.698 -1.266 3.331 1.00 0.00 C ATOM 1176 CD LYS A 74 -11.012 -0.854 3.998 1.00 0.00 C ATOM 1177 CE LYS A 74 -10.998 0.632 4.365 1.00 0.00 C ATOM 1178 NZ LYS A 74 -12.145 0.960 5.240 1.00 0.00 N ATOM 0 H LYS A 74 -10.448 -3.982 0.427 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.531 -1.090 0.925 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.840 -2.966 2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.105 -3.182 2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.963 -1.522 4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.293 -0.426 2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.845 -1.058 3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.172 -1.452 4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.065 0.879 4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.039 1.237 3.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.121 1.972 5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.033 0.743 4.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.089 0.396 6.112 1.00 0.00 H new ATOM 1192 N LEU A 75 -7.729 -2.699 0.299 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.386 -2.530 -0.229 1.00 0.00 C ATOM 1194 C LEU A 75 -6.433 -1.594 -1.439 1.00 0.00 C ATOM 1195 O LEU A 75 -5.481 -0.859 -1.696 1.00 0.00 O ATOM 1196 CB LEU A 75 -5.753 -3.890 -0.528 1.00 0.00 C ATOM 1197 CG LEU A 75 -4.319 -3.860 -1.059 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -3.308 -3.893 0.089 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -4.082 -4.990 -2.063 1.00 0.00 C ATOM 0 H LEU A 75 -7.948 -3.645 0.611 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.741 -2.060 0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.769 -4.485 0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.378 -4.407 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.172 -2.920 -1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.296 -3.871 -0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.460 -3.027 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.446 -4.805 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.055 -4.946 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.254 -5.950 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.768 -4.880 -2.903 1.00 0.00 H new ATOM 1211 N LYS A 76 -7.550 -1.652 -2.149 1.00 0.00 N ATOM 1212 CA LYS A 76 -7.733 -0.819 -3.325 1.00 0.00 C ATOM 1213 C LYS A 76 -8.177 0.579 -2.890 1.00 0.00 C ATOM 1214 O LYS A 76 -9.181 1.095 -3.379 1.00 0.00 O ATOM 1215 CB LYS A 76 -8.691 -1.489 -4.312 1.00 0.00 C ATOM 1216 CG LYS A 76 -7.933 -2.046 -5.519 1.00 0.00 C ATOM 1217 CD LYS A 76 -8.568 -1.577 -6.830 1.00 0.00 C ATOM 1218 CE LYS A 76 -9.530 -2.632 -7.381 1.00 0.00 C ATOM 1219 NZ LYS A 76 -9.042 -3.150 -8.679 1.00 0.00 N ATOM 0 H LYS A 76 -8.337 -2.263 -1.932 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.791 -0.703 -3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.229 -2.295 -3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.437 -0.768 -4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.892 -1.724 -5.479 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.932 -3.135 -5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.104 -0.642 -6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.788 -1.372 -7.563 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.627 -3.452 -6.669 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.522 -2.198 -7.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.706 -3.865 -9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.972 -2.368 -9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.105 -3.582 -8.550 1.00 0.00 H new ATOM 1233 N ARG A 77 -7.408 1.152 -1.976 1.00 0.00 N ATOM 1234 CA ARG A 77 -7.709 2.480 -1.470 1.00 0.00 C ATOM 1235 C ARG A 77 -6.876 3.531 -2.207 1.00 0.00 C ATOM 1236 O ARG A 77 -5.666 3.373 -2.360 1.00 0.00 O ATOM 1237 CB ARG A 77 -7.426 2.575 0.030 1.00 0.00 C ATOM 1238 CG ARG A 77 -8.510 3.388 0.742 1.00 0.00 C ATOM 1239 CD ARG A 77 -9.547 2.470 1.391 1.00 0.00 C ATOM 1240 NE ARG A 77 -10.891 2.755 0.838 1.00 0.00 N ATOM 1241 CZ ARG A 77 -11.365 2.222 -0.296 1.00 0.00 C ATOM 1242 NH1 ARG A 77 -10.608 1.374 -1.006 1.00 0.00 N ATOM 1243 NH2 ARG A 77 -12.596 2.538 -0.721 1.00 0.00 N ATOM 0 H ARG A 77 -6.576 0.720 -1.573 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.769 2.667 -1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.377 1.574 0.459 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.453 3.039 0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.054 4.022 1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.001 4.050 0.028 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -9.285 1.427 1.212 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.550 2.617 2.471 1.00 0.00 H new ATOM 0 HE ARG A 77 -11.493 3.397 1.353 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.671 1.134 -0.683 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.969 0.968 -1.869 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -13.172 3.184 -0.181 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.957 2.132 -1.584 1.00 0.00 H new ATOM 1257 N LYS A 78 -7.557 4.580 -2.643 1.00 0.00 N ATOM 1258 CA LYS A 78 -6.894 5.657 -3.360 1.00 0.00 C ATOM 1259 C LYS A 78 -6.167 6.557 -2.360 1.00 0.00 C ATOM 1260 O LYS A 78 -6.570 6.659 -1.203 1.00 0.00 O ATOM 1261 CB LYS A 78 -7.892 6.403 -4.247 1.00 0.00 C ATOM 1262 CG LYS A 78 -8.965 7.095 -3.404 1.00 0.00 C ATOM 1263 CD LYS A 78 -8.910 8.614 -3.583 1.00 0.00 C ATOM 1264 CE LYS A 78 -10.199 9.272 -3.089 1.00 0.00 C ATOM 1265 NZ LYS A 78 -9.941 10.063 -1.865 1.00 0.00 N ATOM 0 H LYS A 78 -8.561 4.708 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.139 5.257 -4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.366 7.143 -4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.363 5.704 -4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.950 6.727 -3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.824 6.844 -2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.059 9.018 -3.035 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.755 8.854 -4.635 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.606 9.918 -3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.949 8.508 -2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.827 10.503 -1.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.573 9.438 -1.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.241 10.804 -2.072 1.00 0.00 H new ATOM 1279 N PRO A 79 -5.078 7.205 -2.856 1.00 0.00 N ATOM 1280 CA PRO A 79 -4.290 8.094 -2.019 1.00 0.00 C ATOM 1281 C PRO A 79 -5.018 9.420 -1.791 1.00 0.00 C ATOM 1282 O PRO A 79 -5.208 10.198 -2.725 1.00 0.00 O ATOM 1283 CB PRO A 79 -2.971 8.260 -2.755 1.00 0.00 C ATOM 1284 CG PRO A 79 -3.238 7.838 -4.191 1.00 0.00 C ATOM 1285 CD PRO A 79 -4.571 7.108 -4.222 1.00 0.00 C ATOM 0 HA PRO A 79 -4.125 7.694 -1.019 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -2.626 9.293 -2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.193 7.644 -2.305 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -3.264 8.709 -4.846 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.440 7.190 -4.553 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -5.258 7.567 -4.933 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.446 6.069 -4.525 1.00 0.00 H new ATOM 1293 N PRO A 80 -5.417 9.643 -0.510 1.00 0.00 N ATOM 1294 CA PRO A 80 -6.120 10.862 -0.146 1.00 0.00 C ATOM 1295 C PRO A 80 -5.161 12.053 -0.092 1.00 0.00 C ATOM 1296 O PRO A 80 -3.945 11.878 -0.151 1.00 0.00 O ATOM 1297 CB PRO A 80 -6.767 10.558 1.195 1.00 0.00 C ATOM 1298 CG PRO A 80 -6.025 9.353 1.752 1.00 0.00 C ATOM 1299 CD PRO A 80 -5.210 8.745 0.622 1.00 0.00 C ATOM 0 HA PRO A 80 -6.873 11.148 -0.880 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.688 11.411 1.869 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.829 10.342 1.076 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.375 9.652 2.574 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.729 8.622 2.151 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.155 8.678 0.887 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.545 7.734 0.392 1.00 0.00 H new ATOM 1307 N SER A 81 -5.744 13.237 0.021 1.00 0.00 N ATOM 1308 CA SER A 81 -4.957 14.456 0.084 1.00 0.00 C ATOM 1309 C SER A 81 -4.061 14.565 -1.151 1.00 0.00 C ATOM 1310 O SER A 81 -4.442 15.181 -2.146 1.00 0.00 O ATOM 1311 CB SER A 81 -4.111 14.500 1.358 1.00 0.00 C ATOM 1312 OG SER A 81 -4.624 15.430 2.308 1.00 0.00 O ATOM 0 H SER A 81 -6.753 13.378 0.071 1.00 0.00 H new ATOM 0 HA SER A 81 -5.642 15.304 0.105 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.077 13.507 1.805 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.086 14.770 1.103 1.00 0.00 H new ATOM 0 HG SER A 81 -4.057 15.427 3.108 1.00 0.00 H new ATOM 1318 N THR A 82 -2.888 13.959 -1.048 1.00 0.00 N ATOM 1319 CA THR A 82 -1.935 13.980 -2.145 1.00 0.00 C ATOM 1320 C THR A 82 -2.581 13.440 -3.422 1.00 0.00 C ATOM 1321 O THR A 82 -2.799 14.186 -4.376 1.00 0.00 O ATOM 1322 CB THR A 82 -0.696 13.194 -1.710 1.00 0.00 C ATOM 1323 OG1 THR A 82 -0.289 13.829 -0.501 1.00 0.00 O ATOM 1324 CG2 THR A 82 0.489 13.400 -2.656 1.00 0.00 C ATOM 0 H THR A 82 -2.575 13.450 -0.221 1.00 0.00 H new ATOM 0 HA THR A 82 -1.625 14.998 -2.381 1.00 0.00 H new ATOM 0 HB THR A 82 -0.939 12.133 -1.658 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.508 13.381 -0.149 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.342 12.821 -2.302 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.216 13.069 -3.658 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.754 14.457 -2.682 1.00 0.00 H new ATOM 1332 N ASN A 83 -2.868 12.146 -3.400 1.00 0.00 N ATOM 1333 CA ASN A 83 -3.484 11.497 -4.545 1.00 0.00 C ATOM 1334 C ASN A 83 -2.488 11.467 -5.706 1.00 0.00 C ATOM 1335 O ASN A 83 -2.004 10.401 -6.086 1.00 0.00 O ATOM 1336 CB ASN A 83 -4.727 12.261 -5.009 1.00 0.00 C ATOM 1337 CG ASN A 83 -5.723 12.435 -3.861 1.00 0.00 C ATOM 1338 OD1 ASN A 83 -5.517 13.206 -2.937 1.00 0.00 O ATOM 1339 ND2 ASN A 83 -6.811 11.679 -3.969 1.00 0.00 N ATOM 0 H ASN A 83 -2.685 11.530 -2.608 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.770 10.489 -4.247 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.435 13.238 -5.393 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.203 11.725 -5.830 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.536 11.723 -3.253 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.921 11.055 -4.768 1.00 0.00 H new ATOM 1346 N ALA A 84 -2.210 12.648 -6.237 1.00 0.00 N ATOM 1347 CA ALA A 84 -1.280 12.770 -7.347 1.00 0.00 C ATOM 1348 C ALA A 84 -1.792 11.943 -8.528 1.00 0.00 C ATOM 1349 O ALA A 84 -2.916 11.446 -8.502 1.00 0.00 O ATOM 1350 CB ALA A 84 0.115 12.338 -6.893 1.00 0.00 C ATOM 0 H ALA A 84 -2.613 13.530 -5.919 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.209 13.806 -7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.813 12.429 -7.725 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.444 12.975 -6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.084 11.301 -6.558 1.00 0.00 H new ATOM 1356 N GLY A 85 -0.941 11.822 -9.537 1.00 0.00 N ATOM 1357 CA GLY A 85 -1.293 11.064 -10.725 1.00 0.00 C ATOM 1358 C GLY A 85 -2.249 11.857 -11.618 1.00 0.00 C ATOM 1359 O GLY A 85 -1.936 12.137 -12.775 1.00 0.00 O ATOM 0 H GLY A 85 -0.009 12.236 -9.556 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.390 10.816 -11.283 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.758 10.122 -10.435 1.00 0.00 H new ATOM 1363 N ARG A 86 -3.395 12.198 -11.048 1.00 0.00 N ATOM 1364 CA ARG A 86 -4.399 12.953 -11.778 1.00 0.00 C ATOM 1365 C ARG A 86 -3.746 14.116 -12.529 1.00 0.00 C ATOM 1366 O ARG A 86 -4.023 14.331 -13.708 1.00 0.00 O ATOM 1367 CB ARG A 86 -5.470 13.502 -10.833 1.00 0.00 C ATOM 1368 CG ARG A 86 -6.689 12.579 -10.790 1.00 0.00 C ATOM 1369 CD ARG A 86 -7.881 13.210 -11.511 1.00 0.00 C ATOM 1370 NE ARG A 86 -7.664 13.175 -12.975 1.00 0.00 N ATOM 1371 CZ ARG A 86 -8.638 13.322 -13.883 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -9.903 13.514 -13.483 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -8.349 13.276 -15.190 1.00 0.00 N ATOM 0 H ARG A 86 -3.651 11.965 -10.088 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.871 12.276 -12.490 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.055 13.609 -9.831 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.774 14.496 -11.160 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.443 11.624 -11.254 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.955 12.371 -9.754 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.795 12.673 -11.258 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.014 14.240 -11.179 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.713 13.030 -13.314 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.124 13.548 -12.488 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.645 13.626 -14.174 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.387 13.129 -15.495 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.091 13.388 -15.881 1.00 0.00 H new ATOM 1387 N ARG A 87 -2.893 14.835 -11.815 1.00 0.00 N ATOM 1388 CA ARG A 87 -2.199 15.970 -12.399 1.00 0.00 C ATOM 1389 C ARG A 87 -0.704 15.901 -12.077 1.00 0.00 C ATOM 1390 O ARG A 87 0.125 15.797 -12.980 1.00 0.00 O ATOM 1391 CB ARG A 87 -2.766 17.291 -11.876 1.00 0.00 C ATOM 1392 CG ARG A 87 -2.849 18.332 -12.994 1.00 0.00 C ATOM 1393 CD ARG A 87 -2.936 19.748 -12.419 1.00 0.00 C ATOM 1394 NE ARG A 87 -4.161 20.419 -12.908 1.00 0.00 N ATOM 1395 CZ ARG A 87 -4.472 21.696 -12.651 1.00 0.00 C ATOM 1396 NH1 ARG A 87 -3.649 22.449 -11.908 1.00 0.00 N ATOM 1397 NH2 ARG A 87 -5.605 22.221 -13.136 1.00 0.00 N ATOM 0 H ARG A 87 -2.667 14.654 -10.837 1.00 0.00 H new ATOM 0 HA ARG A 87 -2.344 15.928 -13.478 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.758 17.124 -11.455 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.137 17.667 -11.070 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.973 18.250 -13.638 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.722 18.134 -13.616 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.944 19.707 -11.330 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.056 20.322 -12.710 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.809 19.874 -13.477 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.786 22.049 -11.539 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.885 23.422 -11.712 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.231 21.648 -13.701 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.841 23.194 -12.940 1.00 0.00 H new ATOM 1411 N GLN A 88 -0.406 15.962 -10.788 1.00 0.00 N ATOM 1412 CA GLN A 88 0.974 15.908 -10.335 1.00 0.00 C ATOM 1413 C GLN A 88 1.036 15.993 -8.809 1.00 0.00 C ATOM 1414 O GLN A 88 1.533 15.080 -8.153 1.00 0.00 O ATOM 1415 CB GLN A 88 1.806 17.018 -10.981 1.00 0.00 C ATOM 1416 CG GLN A 88 2.614 16.480 -12.164 1.00 0.00 C ATOM 1417 CD GLN A 88 2.436 17.368 -13.397 1.00 0.00 C ATOM 1418 OE1 GLN A 88 2.123 16.910 -14.484 1.00 0.00 O ATOM 1419 NE2 GLN A 88 2.654 18.660 -13.170 1.00 0.00 N ATOM 0 H GLN A 88 -1.097 16.048 -10.042 1.00 0.00 H new ATOM 0 HA GLN A 88 1.400 14.953 -10.643 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.149 17.820 -11.319 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.481 17.449 -10.241 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.669 16.431 -11.896 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.296 15.463 -12.394 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.913 18.977 -12.236 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.562 19.334 -13.930 1.00 0.00 H new ATOM 1428 N LYS A 89 0.523 17.098 -8.289 1.00 0.00 N ATOM 1429 CA LYS A 89 0.514 17.315 -6.852 1.00 0.00 C ATOM 1430 C LYS A 89 1.850 17.924 -6.424 1.00 0.00 C ATOM 1431 O LYS A 89 2.302 17.711 -5.300 1.00 0.00 O ATOM 1432 CB LYS A 89 0.165 16.019 -6.117 1.00 0.00 C ATOM 1433 CG LYS A 89 -0.452 16.313 -4.748 1.00 0.00 C ATOM 1434 CD LYS A 89 -1.754 17.104 -4.893 1.00 0.00 C ATOM 1435 CE LYS A 89 -1.560 18.561 -4.468 1.00 0.00 C ATOM 1436 NZ LYS A 89 -2.594 18.956 -3.485 1.00 0.00 N ATOM 0 H LYS A 89 0.110 17.853 -8.837 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.264 18.029 -6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.533 15.434 -6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.063 15.414 -5.993 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.647 15.377 -4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.255 16.877 -4.140 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -2.094 17.065 -5.928 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.533 16.644 -4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.569 18.690 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.613 19.211 -5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.448 19.947 -3.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.537 18.851 -3.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.525 18.347 -2.645 1.00 0.00 H new ATOM 1450 N HIS A 90 2.445 18.671 -7.343 1.00 0.00 N ATOM 1451 CA HIS A 90 3.721 19.312 -7.074 1.00 0.00 C ATOM 1452 C HIS A 90 4.728 18.269 -6.587 1.00 0.00 C ATOM 1453 O HIS A 90 5.549 18.553 -5.716 1.00 0.00 O ATOM 1454 CB HIS A 90 3.549 20.474 -6.093 1.00 0.00 C ATOM 1455 CG HIS A 90 4.842 21.159 -5.720 1.00 0.00 C ATOM 1456 ND1 HIS A 90 5.049 21.746 -4.484 1.00 0.00 N ATOM 1457 CD2 HIS A 90 5.990 21.343 -6.432 1.00 0.00 C ATOM 1458 CE1 HIS A 90 6.271 22.259 -4.465 1.00 0.00 C ATOM 1459 NE2 HIS A 90 6.852 22.008 -5.673 1.00 0.00 N ATOM 0 H HIS A 90 2.067 18.846 -8.274 1.00 0.00 H new ATOM 0 HA HIS A 90 4.115 19.744 -7.994 1.00 0.00 H new ATOM 0 HB2 HIS A 90 2.874 21.209 -6.531 1.00 0.00 H new ATOM 0 HB3 HIS A 90 3.072 20.103 -5.186 1.00 0.00 H new ATOM 0 HD2 HIS A 90 6.168 21.005 -7.442 1.00 0.00 H new ATOM 0 HE1 HIS A 90 6.727 22.784 -3.638 1.00 0.00 H new ATOM 0 HE2 HIS A 90 7.794 22.286 -5.948 1.00 0.00 H new ATOM 1467 N ARG A 91 4.631 17.083 -7.169 1.00 0.00 N ATOM 1468 CA ARG A 91 5.523 15.995 -6.805 1.00 0.00 C ATOM 1469 C ARG A 91 6.931 16.531 -6.535 1.00 0.00 C ATOM 1470 O ARG A 91 7.649 16.894 -7.465 1.00 0.00 O ATOM 1471 CB ARG A 91 5.590 14.943 -7.913 1.00 0.00 C ATOM 1472 CG ARG A 91 5.306 15.567 -9.280 1.00 0.00 C ATOM 1473 CD ARG A 91 6.155 14.910 -10.370 1.00 0.00 C ATOM 1474 NE ARG A 91 6.591 15.926 -11.355 1.00 0.00 N ATOM 1475 CZ ARG A 91 7.666 15.795 -12.144 1.00 0.00 C ATOM 1476 NH1 ARG A 91 8.422 14.691 -12.068 1.00 0.00 N ATOM 1477 NH2 ARG A 91 7.985 16.768 -13.008 1.00 0.00 N ATOM 0 H ARG A 91 3.948 16.851 -7.890 1.00 0.00 H new ATOM 0 HA ARG A 91 5.127 15.530 -5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.576 14.479 -7.919 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.867 14.152 -7.713 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.249 15.457 -9.522 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.515 16.636 -9.246 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.025 14.428 -9.924 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.580 14.131 -10.870 1.00 0.00 H new ATOM 0 HE ARG A 91 6.038 16.779 -11.438 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.179 13.951 -11.410 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.240 14.591 -12.669 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.410 17.608 -13.065 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.803 16.669 -13.609 1.00 0.00 H new ATOM 1491 N LEU A 92 7.282 16.564 -5.258 1.00 0.00 N ATOM 1492 CA LEU A 92 8.590 17.050 -4.854 1.00 0.00 C ATOM 1493 C LEU A 92 9.672 16.167 -5.478 1.00 0.00 C ATOM 1494 O LEU A 92 10.196 15.265 -4.826 1.00 0.00 O ATOM 1495 CB LEU A 92 8.679 17.146 -3.329 1.00 0.00 C ATOM 1496 CG LEU A 92 7.545 17.905 -2.638 1.00 0.00 C ATOM 1497 CD1 LEU A 92 6.377 16.972 -2.315 1.00 0.00 C ATOM 1498 CD2 LEU A 92 8.054 18.638 -1.395 1.00 0.00 C ATOM 0 H LEU A 92 6.683 16.262 -4.490 1.00 0.00 H new ATOM 0 HA LEU A 92 8.751 18.063 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.714 16.135 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.622 17.626 -3.069 1.00 0.00 H new ATOM 0 HG LEU A 92 7.171 18.662 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.585 17.537 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.994 16.536 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.719 16.177 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.228 19.170 -0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.471 17.916 -0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.826 19.351 -1.684 1.00 0.00 H new ATOM 1510 N THR A 93 9.976 16.458 -6.735 1.00 0.00 N ATOM 1511 CA THR A 93 10.986 15.701 -7.455 1.00 0.00 C ATOM 1512 C THR A 93 10.716 14.200 -7.333 1.00 0.00 C ATOM 1513 O THR A 93 11.077 13.580 -6.334 1.00 0.00 O ATOM 1514 CB THR A 93 12.358 16.117 -6.920 1.00 0.00 C ATOM 1515 OG1 THR A 93 12.604 17.377 -7.538 1.00 0.00 O ATOM 1516 CG2 THR A 93 13.485 15.221 -7.439 1.00 0.00 C ATOM 0 H THR A 93 9.541 17.207 -7.273 1.00 0.00 H new ATOM 0 HA THR A 93 10.957 15.918 -8.523 1.00 0.00 H new ATOM 0 HB THR A 93 12.346 16.091 -5.830 1.00 0.00 H new ATOM 0 HG1 THR A 93 13.474 17.721 -7.245 1.00 0.00 H new ATOM 0 HG21 THR A 93 14.437 15.559 -7.029 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.303 14.192 -7.131 1.00 0.00 H new ATOM 0 HG23 THR A 93 13.519 15.273 -8.527 1.00 0.00 H new ATOM 1524 N CYS A 94 10.084 13.660 -8.365 1.00 0.00 N ATOM 1525 CA CYS A 94 9.761 12.243 -8.386 1.00 0.00 C ATOM 1526 C CYS A 94 9.154 11.909 -9.750 1.00 0.00 C ATOM 1527 O CYS A 94 8.353 12.677 -10.281 1.00 0.00 O ATOM 1528 CB CYS A 94 8.828 11.858 -7.236 1.00 0.00 C ATOM 1529 SG CYS A 94 9.675 11.272 -5.724 1.00 0.00 S ATOM 0 H CYS A 94 9.787 14.178 -9.192 1.00 0.00 H new ATOM 0 HA CYS A 94 10.669 11.658 -8.241 1.00 0.00 H new ATOM 0 HB2 CYS A 94 8.214 12.722 -6.980 1.00 0.00 H new ATOM 0 HB3 CYS A 94 8.151 11.077 -7.582 1.00 0.00 H new ATOM 1534 N PRO A 95 9.569 10.733 -10.292 1.00 0.00 N ATOM 1535 CA PRO A 95 9.075 10.288 -11.584 1.00 0.00 C ATOM 1536 C PRO A 95 7.640 9.770 -11.473 1.00 0.00 C ATOM 1537 O PRO A 95 7.153 9.509 -10.374 1.00 0.00 O ATOM 1538 CB PRO A 95 10.058 9.221 -12.035 1.00 0.00 C ATOM 1539 CG PRO A 95 10.798 8.779 -10.782 1.00 0.00 C ATOM 1540 CD PRO A 95 10.517 9.799 -9.691 1.00 0.00 C ATOM 0 HA PRO A 95 9.021 11.095 -12.315 1.00 0.00 H new ATOM 0 HB2 PRO A 95 9.538 8.382 -12.498 1.00 0.00 H new ATOM 0 HB3 PRO A 95 10.750 9.617 -12.778 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.467 7.788 -10.473 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.869 8.711 -10.975 1.00 0.00 H new ATOM 0 HD2 PRO A 95 10.097 9.325 -8.804 1.00 0.00 H new ATOM 0 HD3 PRO A 95 11.430 10.307 -9.379 1.00 0.00 H new ATOM 1548 N SER A 96 7.002 9.636 -12.627 1.00 0.00 N ATOM 1549 CA SER A 96 5.632 9.154 -12.673 1.00 0.00 C ATOM 1550 C SER A 96 5.579 7.687 -12.242 1.00 0.00 C ATOM 1551 O SER A 96 6.615 7.039 -12.103 1.00 0.00 O ATOM 1552 CB SER A 96 5.038 9.318 -14.073 1.00 0.00 C ATOM 1553 OG SER A 96 4.648 10.663 -14.334 1.00 0.00 O ATOM 0 H SER A 96 7.409 9.853 -13.537 1.00 0.00 H new ATOM 0 HA SER A 96 5.036 9.750 -11.983 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.770 9.002 -14.816 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.173 8.663 -14.179 1.00 0.00 H new ATOM 0 HG SER A 96 4.275 10.726 -15.238 1.00 0.00 H new ATOM 1559 N CYS A 97 4.361 7.206 -12.041 1.00 0.00 N ATOM 1560 CA CYS A 97 4.159 5.828 -11.628 1.00 0.00 C ATOM 1561 C CYS A 97 3.730 5.018 -12.853 1.00 0.00 C ATOM 1562 O CYS A 97 2.610 5.168 -13.341 1.00 0.00 O ATOM 1563 CB CYS A 97 3.143 5.722 -10.489 1.00 0.00 C ATOM 1564 SG CYS A 97 2.601 4.017 -10.101 1.00 0.00 S ATOM 0 H CYS A 97 3.504 7.746 -12.157 1.00 0.00 H new ATOM 0 HA CYS A 97 5.091 5.423 -11.234 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.577 6.164 -9.592 1.00 0.00 H new ATOM 0 HB3 CYS A 97 2.267 6.317 -10.746 1.00 0.00 H new ATOM 1569 N ASP A 98 4.642 4.176 -13.316 1.00 0.00 N ATOM 1570 CA ASP A 98 4.372 3.342 -14.474 1.00 0.00 C ATOM 1571 C ASP A 98 5.668 2.659 -14.919 1.00 0.00 C ATOM 1572 O ASP A 98 5.657 1.491 -15.304 1.00 0.00 O ATOM 1573 CB ASP A 98 3.852 4.177 -15.645 1.00 0.00 C ATOM 1574 CG ASP A 98 4.627 5.469 -15.913 1.00 0.00 C ATOM 1575 OD1 ASP A 98 4.678 6.303 -14.983 1.00 0.00 O ATOM 1576 OD2 ASP A 98 5.152 5.593 -17.040 1.00 0.00 O ATOM 0 H ASP A 98 5.569 4.054 -12.910 1.00 0.00 H new ATOM 0 HA ASP A 98 3.618 2.608 -14.192 1.00 0.00 H new ATOM 0 HB2 ASP A 98 3.874 3.564 -16.546 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.809 4.430 -15.456 1.00 0.00 H new ATOM 1581 N SER A 99 6.752 3.417 -14.850 1.00 0.00 N ATOM 1582 CA SER A 99 8.053 2.900 -15.240 1.00 0.00 C ATOM 1583 C SER A 99 8.921 2.676 -14.000 1.00 0.00 C ATOM 1584 O SER A 99 9.417 3.631 -13.405 1.00 0.00 O ATOM 1585 CB SER A 99 8.753 3.849 -16.214 1.00 0.00 C ATOM 1586 OG SER A 99 9.036 3.221 -17.462 1.00 0.00 O ATOM 0 H SER A 99 6.756 4.385 -14.530 1.00 0.00 H new ATOM 0 HA SER A 99 7.904 1.947 -15.748 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.125 4.724 -16.383 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.682 4.205 -15.769 1.00 0.00 H new ATOM 0 HG SER A 99 9.481 3.860 -18.056 1.00 0.00 H new ATOM 1592 N TYR A 100 9.077 1.409 -13.648 1.00 0.00 N ATOM 1593 CA TYR A 100 9.877 1.048 -12.489 1.00 0.00 C ATOM 1594 C TYR A 100 10.405 -0.383 -12.612 1.00 0.00 C ATOM 1595 O TYR A 100 11.542 -0.595 -13.030 1.00 0.00 O ATOM 1596 CB TYR A 100 8.936 1.130 -11.286 1.00 0.00 C ATOM 1597 CG TYR A 100 8.931 2.493 -10.592 1.00 0.00 C ATOM 1598 CD1 TYR A 100 9.947 2.828 -9.720 1.00 0.00 C ATOM 1599 CD2 TYR A 100 7.910 3.389 -10.838 1.00 0.00 C ATOM 1600 CE1 TYR A 100 9.942 4.111 -9.067 1.00 0.00 C ATOM 1601 CE2 TYR A 100 7.905 4.672 -10.185 1.00 0.00 C ATOM 1602 CZ TYR A 100 8.921 4.970 -9.332 1.00 0.00 C ATOM 1603 OH TYR A 100 8.916 6.182 -8.715 1.00 0.00 O ATOM 0 H TYR A 100 8.664 0.619 -14.144 1.00 0.00 H new ATOM 0 HA TYR A 100 10.737 1.711 -12.394 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.923 0.897 -11.614 1.00 0.00 H new ATOM 0 HB3 TYR A 100 9.221 0.366 -10.562 1.00 0.00 H new ATOM 0 HD1 TYR A 100 10.746 2.127 -9.527 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.115 3.127 -11.520 1.00 0.00 H new ATOM 0 HE1 TYR A 100 10.731 4.385 -8.382 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.112 5.382 -10.369 1.00 0.00 H new ATOM 0 HH TYR A 100 8.128 6.691 -9.000 1.00 0.00 H new ATOM 1613 N GLU A 101 9.553 -1.328 -12.241 1.00 0.00 N ATOM 1614 CA GLU A 101 9.920 -2.733 -12.304 1.00 0.00 C ATOM 1615 C GLU A 101 8.759 -3.606 -11.824 1.00 0.00 C ATOM 1616 O GLU A 101 7.878 -3.135 -11.108 1.00 0.00 O ATOM 1617 CB GLU A 101 11.186 -3.006 -11.490 1.00 0.00 C ATOM 1618 CG GLU A 101 12.180 -3.851 -12.289 1.00 0.00 C ATOM 1619 CD GLU A 101 13.587 -3.254 -12.219 1.00 0.00 C ATOM 1620 OE1 GLU A 101 14.038 -2.995 -11.083 1.00 0.00 O ATOM 1621 OE2 GLU A 101 14.179 -3.070 -13.305 1.00 0.00 O ATOM 0 H GLU A 101 8.610 -1.148 -11.896 1.00 0.00 H new ATOM 0 HA GLU A 101 10.135 -2.987 -13.342 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.651 -2.062 -11.207 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.924 -3.522 -10.566 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.193 -4.869 -11.899 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.858 -3.912 -13.329 1.00 0.00 H new ATOM 1628 N LYS A 102 8.797 -4.864 -12.238 1.00 0.00 N ATOM 1629 CA LYS A 102 7.759 -5.808 -11.859 1.00 0.00 C ATOM 1630 C LYS A 102 8.250 -6.654 -10.683 1.00 0.00 C ATOM 1631 O LYS A 102 9.454 -6.766 -10.454 1.00 0.00 O ATOM 1632 CB LYS A 102 7.319 -6.634 -13.069 1.00 0.00 C ATOM 1633 CG LYS A 102 6.169 -5.950 -13.811 1.00 0.00 C ATOM 1634 CD LYS A 102 6.578 -4.557 -14.292 1.00 0.00 C ATOM 1635 CE LYS A 102 5.878 -3.467 -13.478 1.00 0.00 C ATOM 1636 NZ LYS A 102 5.020 -2.637 -14.353 1.00 0.00 N ATOM 0 H LYS A 102 9.530 -5.252 -12.832 1.00 0.00 H new ATOM 0 HA LYS A 102 6.868 -5.279 -11.522 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.162 -6.772 -13.746 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.007 -7.626 -12.743 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.868 -6.559 -14.663 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.303 -5.872 -13.154 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.659 -4.442 -14.207 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.328 -4.445 -15.347 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.274 -3.922 -12.693 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.621 -2.839 -12.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.163 -1.632 -14.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.271 -2.807 -15.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.022 -2.888 -14.200 1.00 0.00 H new ATOM 1650 N LYS A 103 7.294 -7.228 -9.968 1.00 0.00 N ATOM 1651 CA LYS A 103 7.614 -8.061 -8.821 1.00 0.00 C ATOM 1652 C LYS A 103 6.392 -8.904 -8.451 1.00 0.00 C ATOM 1653 O LYS A 103 5.296 -8.669 -8.957 1.00 0.00 O ATOM 1654 CB LYS A 103 8.142 -7.204 -7.668 1.00 0.00 C ATOM 1655 CG LYS A 103 9.645 -7.414 -7.473 1.00 0.00 C ATOM 1656 CD LYS A 103 10.066 -7.070 -6.043 1.00 0.00 C ATOM 1657 CE LYS A 103 11.330 -7.834 -5.645 1.00 0.00 C ATOM 1658 NZ LYS A 103 12.507 -6.936 -5.668 1.00 0.00 N ATOM 0 H LYS A 103 6.297 -7.133 -10.161 1.00 0.00 H new ATOM 0 HA LYS A 103 8.418 -8.755 -9.067 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.941 -6.152 -7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.613 -7.458 -6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.902 -8.450 -7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.197 -6.792 -8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.244 -5.998 -5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.258 -7.313 -5.354 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.208 -8.257 -4.648 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.488 -8.668 -6.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 13.357 -7.470 -5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.632 -6.552 -6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.360 -6.154 -4.998 1.00 0.00 H new ATOM 1672 N PRO A 104 6.628 -9.893 -7.548 1.00 0.00 N ATOM 1673 CA PRO A 104 5.560 -10.772 -7.105 1.00 0.00 C ATOM 1674 C PRO A 104 4.629 -10.054 -6.126 1.00 0.00 C ATOM 1675 O PRO A 104 4.899 -8.923 -5.724 1.00 0.00 O ATOM 1676 CB PRO A 104 6.265 -11.968 -6.486 1.00 0.00 C ATOM 1677 CG PRO A 104 7.682 -11.506 -6.186 1.00 0.00 C ATOM 1678 CD PRO A 104 7.914 -10.200 -6.928 1.00 0.00 C ATOM 0 HA PRO A 104 4.910 -11.088 -7.921 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.759 -12.292 -5.577 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.267 -12.817 -7.170 1.00 0.00 H new ATOM 0 HG2 PRO A 104 7.819 -11.365 -5.114 1.00 0.00 H new ATOM 0 HG3 PRO A 104 8.404 -12.259 -6.503 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.225 -9.407 -6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 104 8.700 -10.304 -7.676 1.00 0.00 H new ATOM 1686 N PRO A 105 3.525 -10.758 -5.760 1.00 0.00 N ATOM 1687 CA PRO A 105 2.553 -10.200 -4.836 1.00 0.00 C ATOM 1688 C PRO A 105 3.085 -10.223 -3.401 1.00 0.00 C ATOM 1689 O PRO A 105 2.867 -9.282 -2.640 1.00 0.00 O ATOM 1690 CB PRO A 105 1.304 -11.046 -5.020 1.00 0.00 C ATOM 1691 CG PRO A 105 1.764 -12.328 -5.694 1.00 0.00 C ATOM 1692 CD PRO A 105 3.173 -12.100 -6.216 1.00 0.00 C ATOM 0 HA PRO A 105 2.339 -9.150 -5.034 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.831 -11.257 -4.061 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.567 -10.526 -5.632 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.748 -13.158 -4.987 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.092 -12.592 -6.511 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.866 -12.845 -5.825 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.209 -12.171 -7.303 1.00 0.00 H new ATOM 1700 N LYS A 106 3.771 -11.309 -3.076 1.00 0.00 N ATOM 1701 CA LYS A 106 4.335 -11.467 -1.746 1.00 0.00 C ATOM 1702 C LYS A 106 5.108 -10.201 -1.371 1.00 0.00 C ATOM 1703 O LYS A 106 4.847 -9.594 -0.333 1.00 0.00 O ATOM 1704 CB LYS A 106 5.173 -12.744 -1.669 1.00 0.00 C ATOM 1705 CG LYS A 106 5.449 -13.131 -0.214 1.00 0.00 C ATOM 1706 CD LYS A 106 6.906 -12.851 0.161 1.00 0.00 C ATOM 1707 CE LYS A 106 7.492 -14.001 0.981 1.00 0.00 C ATOM 1708 NZ LYS A 106 8.715 -14.529 0.335 1.00 0.00 N ATOM 0 H LYS A 106 3.949 -12.088 -3.710 1.00 0.00 H new ATOM 0 HA LYS A 106 3.542 -11.588 -1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.650 -13.557 -2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.116 -12.597 -2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 106 4.786 -12.572 0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 106 5.229 -14.188 -0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 106 7.497 -12.707 -0.744 1.00 0.00 H new ATOM 0 HD3 LYS A 106 6.967 -11.925 0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.726 -13.655 1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 106 6.754 -14.797 1.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.100 -15.309 0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 8.482 -14.878 -0.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.424 -13.771 0.262 1.00 0.00 H new ATOM 1722 N GLU A 107 6.044 -9.839 -2.237 1.00 0.00 N ATOM 1723 CA GLU A 107 6.856 -8.656 -2.009 1.00 0.00 C ATOM 1724 C GLU A 107 6.005 -7.392 -2.148 1.00 0.00 C ATOM 1725 O GLU A 107 5.924 -6.589 -1.220 1.00 0.00 O ATOM 1726 CB GLU A 107 8.051 -8.619 -2.964 1.00 0.00 C ATOM 1727 CG GLU A 107 9.276 -9.287 -2.335 1.00 0.00 C ATOM 1728 CD GLU A 107 10.477 -8.339 -2.334 1.00 0.00 C ATOM 1729 OE1 GLU A 107 10.236 -7.117 -2.231 1.00 0.00 O ATOM 1730 OE2 GLU A 107 11.610 -8.859 -2.437 1.00 0.00 O ATOM 0 H GLU A 107 6.258 -10.344 -3.097 1.00 0.00 H new ATOM 0 HA GLU A 107 7.246 -8.698 -0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.794 -9.125 -3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.286 -7.585 -3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.046 -9.589 -1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.524 -10.194 -2.887 1.00 0.00 H new ATOM 1737 N PHE A 108 5.391 -7.256 -3.314 1.00 0.00 N ATOM 1738 CA PHE A 108 4.549 -6.104 -3.587 1.00 0.00 C ATOM 1739 C PHE A 108 3.715 -5.732 -2.359 1.00 0.00 C ATOM 1740 O PHE A 108 3.457 -4.554 -2.113 1.00 0.00 O ATOM 1741 CB PHE A 108 3.608 -6.497 -4.727 1.00 0.00 C ATOM 1742 CG PHE A 108 2.444 -5.526 -4.937 1.00 0.00 C ATOM 1743 CD1 PHE A 108 2.684 -4.192 -5.051 1.00 0.00 C ATOM 1744 CD2 PHE A 108 1.170 -5.996 -5.009 1.00 0.00 C ATOM 1745 CE1 PHE A 108 1.604 -3.291 -5.246 1.00 0.00 C ATOM 1746 CE2 PHE A 108 0.091 -5.095 -5.204 1.00 0.00 C ATOM 1747 CZ PHE A 108 0.330 -3.761 -5.318 1.00 0.00 C ATOM 0 H PHE A 108 5.460 -7.925 -4.081 1.00 0.00 H new ATOM 0 HA PHE A 108 5.167 -5.245 -3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.182 -6.565 -5.651 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.207 -7.491 -4.527 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.696 -3.818 -4.993 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.979 -7.055 -4.918 1.00 0.00 H new ATOM 0 HE1 PHE A 108 1.794 -2.232 -5.337 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.921 -5.469 -5.262 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.491 -3.075 -5.466 1.00 0.00 H new ATOM 1757 N LEU A 109 3.318 -6.757 -1.620 1.00 0.00 N ATOM 1758 CA LEU A 109 2.519 -6.553 -0.424 1.00 0.00 C ATOM 1759 C LEU A 109 3.437 -6.164 0.737 1.00 0.00 C ATOM 1760 O LEU A 109 3.147 -5.223 1.474 1.00 0.00 O ATOM 1761 CB LEU A 109 1.655 -7.783 -0.139 1.00 0.00 C ATOM 1762 CG LEU A 109 0.296 -7.826 -0.841 1.00 0.00 C ATOM 1763 CD1 LEU A 109 -0.391 -6.460 -0.789 1.00 0.00 C ATOM 1764 CD2 LEU A 109 0.435 -8.342 -2.275 1.00 0.00 C ATOM 0 H LEU A 109 3.535 -7.732 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 109 1.820 -5.729 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.218 -8.672 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.488 -7.844 0.936 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.342 -8.529 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.355 -6.518 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.544 -6.169 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.235 -5.719 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.545 -8.363 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.097 -7.683 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.852 -9.349 -2.261 1.00 0.00 H new ATOM 1776 N GLU A 110 4.525 -6.909 0.864 1.00 0.00 N ATOM 1777 CA GLU A 110 5.487 -6.654 1.922 1.00 0.00 C ATOM 1778 C GLU A 110 6.017 -5.221 1.825 1.00 0.00 C ATOM 1779 O GLU A 110 6.488 -4.662 2.814 1.00 0.00 O ATOM 1780 CB GLU A 110 6.634 -7.666 1.877 1.00 0.00 C ATOM 1781 CG GLU A 110 7.381 -7.708 3.211 1.00 0.00 C ATOM 1782 CD GLU A 110 8.889 -7.841 2.991 1.00 0.00 C ATOM 1783 OE1 GLU A 110 9.519 -6.794 2.730 1.00 0.00 O ATOM 1784 OE2 GLU A 110 9.378 -8.988 3.089 1.00 0.00 O ATOM 0 H GLU A 110 4.762 -7.690 0.251 1.00 0.00 H new ATOM 0 HA GLU A 110 4.981 -6.770 2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.241 -8.656 1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.326 -7.402 1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.171 -6.801 3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.021 -8.547 3.807 1.00 0.00 H new ATOM 1791 N ARG A 111 5.921 -4.670 0.624 1.00 0.00 N ATOM 1792 CA ARG A 111 6.384 -3.313 0.385 1.00 0.00 C ATOM 1793 C ARG A 111 5.249 -2.315 0.620 1.00 0.00 C ATOM 1794 O ARG A 111 5.432 -1.312 1.306 1.00 0.00 O ATOM 1795 CB ARG A 111 6.907 -3.154 -1.044 1.00 0.00 C ATOM 1796 CG ARG A 111 7.974 -2.060 -1.119 1.00 0.00 C ATOM 1797 CD ARG A 111 9.309 -2.556 -0.560 1.00 0.00 C ATOM 1798 NE ARG A 111 9.578 -1.918 0.748 1.00 0.00 N ATOM 1799 CZ ARG A 111 10.705 -2.092 1.451 1.00 0.00 C ATOM 1800 NH1 ARG A 111 11.675 -2.885 0.976 1.00 0.00 N ATOM 1801 NH2 ARG A 111 10.863 -1.473 2.629 1.00 0.00 N ATOM 0 H ARG A 111 5.530 -5.138 -0.194 1.00 0.00 H new ATOM 0 HA ARG A 111 7.198 -3.113 1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.326 -4.099 -1.389 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.081 -2.908 -1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.104 -1.744 -2.154 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.643 -1.186 -0.558 1.00 0.00 H new ATOM 0 HD2 ARG A 111 9.285 -3.640 -0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 111 10.113 -2.326 -1.259 1.00 0.00 H new ATOM 0 HE ARG A 111 8.860 -1.308 1.139 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.555 -3.356 0.079 1.00 0.00 H new ATOM 0 HH12 ARG A 111 12.533 -3.018 1.511 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.125 -0.869 2.991 1.00 0.00 H new ATOM 0 HH22 ARG A 111 11.721 -1.606 3.164 1.00 0.00 H new ATOM 1815 N PHE A 112 4.101 -2.626 0.035 1.00 0.00 N ATOM 1816 CA PHE A 112 2.935 -1.769 0.172 1.00 0.00 C ATOM 1817 C PHE A 112 2.675 -1.427 1.641 1.00 0.00 C ATOM 1818 O PHE A 112 2.672 -0.256 2.018 1.00 0.00 O ATOM 1819 CB PHE A 112 1.739 -2.549 -0.377 1.00 0.00 C ATOM 1820 CG PHE A 112 0.515 -1.681 -0.677 1.00 0.00 C ATOM 1821 CD1 PHE A 112 0.482 -0.386 -0.262 1.00 0.00 C ATOM 1822 CD2 PHE A 112 -0.540 -2.205 -1.357 1.00 0.00 C ATOM 1823 CE1 PHE A 112 -0.655 0.419 -0.540 1.00 0.00 C ATOM 1824 CE2 PHE A 112 -1.676 -1.400 -1.635 1.00 0.00 C ATOM 1825 CZ PHE A 112 -1.709 -0.105 -1.220 1.00 0.00 C ATOM 0 H PHE A 112 3.954 -3.459 -0.535 1.00 0.00 H new ATOM 0 HA PHE A 112 3.094 -0.836 -0.368 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.041 -3.062 -1.290 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.459 -3.318 0.343 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.320 0.030 0.278 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.514 -3.233 -1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.682 1.447 -0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.513 -1.816 -2.176 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.573 0.507 -1.431 1.00 0.00 H new ATOM 1835 N LYS A 113 2.464 -2.471 2.429 1.00 0.00 N ATOM 1836 CA LYS A 113 2.204 -2.296 3.848 1.00 0.00 C ATOM 1837 C LYS A 113 3.207 -1.296 4.427 1.00 0.00 C ATOM 1838 O LYS A 113 2.825 -0.373 5.145 1.00 0.00 O ATOM 1839 CB LYS A 113 2.202 -3.648 4.563 1.00 0.00 C ATOM 1840 CG LYS A 113 2.714 -3.511 5.998 1.00 0.00 C ATOM 1841 CD LYS A 113 4.223 -3.755 6.068 1.00 0.00 C ATOM 1842 CE LYS A 113 4.526 -5.188 6.512 1.00 0.00 C ATOM 1843 NZ LYS A 113 4.002 -5.430 7.875 1.00 0.00 N ATOM 0 H LYS A 113 2.468 -3.441 2.112 1.00 0.00 H new ATOM 0 HA LYS A 113 1.210 -1.877 4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.192 -4.057 4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 113 2.827 -4.353 4.016 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.485 -2.514 6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 113 2.197 -4.222 6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 113 4.671 -3.571 5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 113 4.677 -3.051 6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 113 4.078 -5.894 5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 113 5.602 -5.361 6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 4.774 -5.754 8.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 3.602 -4.548 8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 3.260 -6.158 7.838 1.00 0.00 H new ATOM 1857 N SER A 114 4.471 -1.513 4.093 1.00 0.00 N ATOM 1858 CA SER A 114 5.531 -0.642 4.570 1.00 0.00 C ATOM 1859 C SER A 114 5.281 0.793 4.101 1.00 0.00 C ATOM 1860 O SER A 114 5.156 1.704 4.919 1.00 0.00 O ATOM 1861 CB SER A 114 6.900 -1.126 4.089 1.00 0.00 C ATOM 1862 OG SER A 114 7.968 -0.452 4.749 1.00 0.00 O ATOM 0 H SER A 114 4.784 -2.280 3.498 1.00 0.00 H new ATOM 0 HA SER A 114 5.529 -0.667 5.660 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.986 -2.199 4.262 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.982 -0.969 3.013 1.00 0.00 H new ATOM 0 HG SER A 114 8.816 -0.896 4.537 1.00 0.00 H new ATOM 1868 N LEU A 115 5.215 0.949 2.787 1.00 0.00 N ATOM 1869 CA LEU A 115 4.982 2.258 2.200 1.00 0.00 C ATOM 1870 C LEU A 115 3.954 3.014 3.043 1.00 0.00 C ATOM 1871 O LEU A 115 4.081 4.220 3.250 1.00 0.00 O ATOM 1872 CB LEU A 115 4.590 2.122 0.727 1.00 0.00 C ATOM 1873 CG LEU A 115 4.422 3.432 -0.045 1.00 0.00 C ATOM 1874 CD1 LEU A 115 4.207 3.165 -1.536 1.00 0.00 C ATOM 1875 CD2 LEU A 115 3.299 4.281 0.553 1.00 0.00 C ATOM 0 H LEU A 115 5.319 0.191 2.112 1.00 0.00 H new ATOM 0 HA LEU A 115 5.898 2.849 2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.348 1.521 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.654 1.567 0.670 1.00 0.00 H new ATOM 0 HG LEU A 115 5.344 4.005 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.090 4.112 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 115 5.068 2.630 -1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.309 2.562 -1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.201 5.206 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 115 2.361 3.727 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.534 4.515 1.591 1.00 0.00 H new ATOM 1887 N LEU A 116 2.957 2.275 3.507 1.00 0.00 N ATOM 1888 CA LEU A 116 1.907 2.861 4.323 1.00 0.00 C ATOM 1889 C LEU A 116 2.502 3.334 5.650 1.00 0.00 C ATOM 1890 O LEU A 116 2.448 4.520 5.971 1.00 0.00 O ATOM 1891 CB LEU A 116 0.744 1.880 4.485 1.00 0.00 C ATOM 1892 CG LEU A 116 0.054 1.437 3.193 1.00 0.00 C ATOM 1893 CD1 LEU A 116 -0.420 -0.014 3.295 1.00 0.00 C ATOM 1894 CD2 LEU A 116 -1.086 2.389 2.827 1.00 0.00 C ATOM 0 H LEU A 116 2.854 1.275 3.333 1.00 0.00 H new ATOM 0 HA LEU A 116 1.487 3.739 3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.113 0.992 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.003 2.337 5.134 1.00 0.00 H new ATOM 0 HG LEU A 116 0.782 1.481 2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.907 -0.304 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.436 -0.665 3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.127 -0.109 4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.560 2.052 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.823 2.400 3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.689 3.394 2.684 1.00 0.00 H new ATOM 1906 N GLN A 117 3.057 2.382 6.386 1.00 0.00 N ATOM 1907 CA GLN A 117 3.663 2.687 7.671 1.00 0.00 C ATOM 1908 C GLN A 117 4.949 3.492 7.475 1.00 0.00 C ATOM 1909 O GLN A 117 5.578 3.911 8.446 1.00 0.00 O ATOM 1910 CB GLN A 117 3.933 1.408 8.467 1.00 0.00 C ATOM 1911 CG GLN A 117 5.163 0.676 7.927 1.00 0.00 C ATOM 1912 CD GLN A 117 6.252 0.572 8.996 1.00 0.00 C ATOM 1913 OE1 GLN A 117 7.323 1.146 8.886 1.00 0.00 O ATOM 1914 NE2 GLN A 117 5.920 -0.192 10.034 1.00 0.00 N ATOM 0 H GLN A 117 3.100 1.399 6.117 1.00 0.00 H new ATOM 0 HA GLN A 117 2.963 3.293 8.246 1.00 0.00 H new ATOM 0 HB2 GLN A 117 4.084 1.655 9.518 1.00 0.00 H new ATOM 0 HB3 GLN A 117 3.063 0.753 8.415 1.00 0.00 H new ATOM 0 HG2 GLN A 117 4.879 -0.322 7.593 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.552 1.204 7.057 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.006 -0.644 10.063 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.580 -0.326 10.801 1.00 0.00 H new ATOM 1923 N LYS A 118 5.301 3.686 6.212 1.00 0.00 N ATOM 1924 CA LYS A 118 6.501 4.433 5.876 1.00 0.00 C ATOM 1925 C LYS A 118 6.175 5.928 5.854 1.00 0.00 C ATOM 1926 O LYS A 118 6.588 6.671 6.743 1.00 0.00 O ATOM 1927 CB LYS A 118 7.106 3.916 4.570 1.00 0.00 C ATOM 1928 CG LYS A 118 8.585 4.293 4.464 1.00 0.00 C ATOM 1929 CD LYS A 118 9.181 3.809 3.141 1.00 0.00 C ATOM 1930 CE LYS A 118 10.676 4.126 3.064 1.00 0.00 C ATOM 1931 NZ LYS A 118 11.324 3.317 2.007 1.00 0.00 N ATOM 0 H LYS A 118 4.776 3.339 5.409 1.00 0.00 H new ATOM 0 HA LYS A 118 7.268 4.284 6.636 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.999 2.832 4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 118 6.560 4.331 3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 118 8.695 5.375 4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 118 9.136 3.856 5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.028 2.734 3.041 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.662 4.284 2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 118 10.819 5.187 2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 118 11.147 3.923 4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 12.338 3.545 1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 11.204 2.306 2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 10.886 3.531 1.088 1.00 0.00 H new ATOM 1945 N MET A 119 5.437 6.325 4.828 1.00 0.00 N ATOM 1946 CA MET A 119 5.051 7.718 4.677 1.00 0.00 C ATOM 1947 C MET A 119 3.675 7.975 5.295 1.00 0.00 C ATOM 1948 O MET A 119 3.554 8.731 6.257 1.00 0.00 O ATOM 1949 CB MET A 119 5.020 8.082 3.192 1.00 0.00 C ATOM 1950 CG MET A 119 4.316 9.422 2.970 1.00 0.00 C ATOM 1951 SD MET A 119 5.337 10.488 1.966 1.00 0.00 S ATOM 1952 CE MET A 119 5.390 11.937 3.007 1.00 0.00 C ATOM 0 H MET A 119 5.096 5.706 4.093 1.00 0.00 H new ATOM 0 HA MET A 119 5.783 8.337 5.196 1.00 0.00 H new ATOM 0 HB2 MET A 119 6.038 8.134 2.805 1.00 0.00 H new ATOM 0 HB3 MET A 119 4.506 7.300 2.633 1.00 0.00 H new ATOM 0 HG2 MET A 119 3.354 9.261 2.483 1.00 0.00 H new ATOM 0 HG3 MET A 119 4.111 9.898 3.929 1.00 0.00 H new ATOM 0 HE1 MET A 119 5.617 12.813 2.400 1.00 0.00 H new ATOM 0 HE2 MET A 119 4.423 12.072 3.492 1.00 0.00 H new ATOM 0 HE3 MET A 119 6.162 11.812 3.766 1.00 0.00 H new ATOM 1962 N ILE A 120 2.672 7.331 4.716 1.00 0.00 N ATOM 1963 CA ILE A 120 1.309 7.480 5.198 1.00 0.00 C ATOM 1964 C ILE A 120 1.321 7.587 6.724 1.00 0.00 C ATOM 1965 O ILE A 120 0.564 8.367 7.301 1.00 0.00 O ATOM 1966 CB ILE A 120 0.426 6.349 4.667 1.00 0.00 C ATOM 1967 CG1 ILE A 120 -0.040 6.641 3.239 1.00 0.00 C ATOM 1968 CG2 ILE A 120 -0.748 6.082 5.611 1.00 0.00 C ATOM 1969 CD1 ILE A 120 1.104 7.204 2.394 1.00 0.00 C ATOM 0 H ILE A 120 2.776 6.705 3.918 1.00 0.00 H new ATOM 0 HA ILE A 120 0.869 8.402 4.817 1.00 0.00 H new ATOM 0 HB ILE A 120 1.023 5.438 4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -0.419 5.727 2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -0.866 7.352 3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -1.360 5.274 5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.368 5.798 6.592 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -1.353 6.984 5.703 1.00 0.00 H new ATOM 0 HD11 ILE A 120 0.746 7.403 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.464 8.131 2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.918 6.480 2.355 1.00 0.00 H new ATOM 1981 N HIS A 121 2.188 6.793 7.334 1.00 0.00 N ATOM 1982 CA HIS A 121 2.308 6.788 8.782 1.00 0.00 C ATOM 1983 C HIS A 121 2.862 8.133 9.255 1.00 0.00 C ATOM 1984 O HIS A 121 2.136 8.939 9.836 1.00 0.00 O ATOM 1985 CB HIS A 121 3.150 5.601 9.254 1.00 0.00 C ATOM 1986 CG HIS A 121 3.897 5.851 10.542 1.00 0.00 C ATOM 1987 ND1 HIS A 121 5.166 6.403 10.578 1.00 0.00 N ATOM 1988 CD2 HIS A 121 3.541 5.620 11.838 1.00 0.00 C ATOM 1989 CE1 HIS A 121 5.547 6.495 11.843 1.00 0.00 C ATOM 1990 NE2 HIS A 121 4.539 6.009 12.623 1.00 0.00 N ATOM 0 H HIS A 121 2.814 6.148 6.852 1.00 0.00 H new ATOM 0 HA HIS A 121 1.323 6.661 9.232 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.499 4.737 9.385 1.00 0.00 H new ATOM 0 HB3 HIS A 121 3.867 5.344 8.474 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.606 5.193 12.170 1.00 0.00 H new ATOM 0 HE1 HIS A 121 6.490 6.886 12.195 1.00 0.00 H new ATOM 0 HE2 HIS A 121 4.550 5.954 13.641 1.00 0.00 H new ATOM 1998 N GLN A 122 4.144 8.335 8.990 1.00 0.00 N ATOM 1999 CA GLN A 122 4.805 9.569 9.381 1.00 0.00 C ATOM 2000 C GLN A 122 3.967 10.777 8.956 1.00 0.00 C ATOM 2001 O GLN A 122 3.908 11.777 9.670 1.00 0.00 O ATOM 2002 CB GLN A 122 6.215 9.646 8.794 1.00 0.00 C ATOM 2003 CG GLN A 122 6.194 9.411 7.282 1.00 0.00 C ATOM 2004 CD GLN A 122 7.596 9.100 6.756 1.00 0.00 C ATOM 2005 OE1 GLN A 122 8.413 8.483 7.419 1.00 0.00 O ATOM 2006 NE2 GLN A 122 7.828 9.561 5.530 1.00 0.00 N ATOM 0 H GLN A 122 4.743 7.664 8.509 1.00 0.00 H new ATOM 0 HA GLN A 122 4.899 9.580 10.467 1.00 0.00 H new ATOM 0 HB2 GLN A 122 6.649 10.623 9.008 1.00 0.00 H new ATOM 0 HB3 GLN A 122 6.853 8.903 9.272 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.522 8.585 7.048 1.00 0.00 H new ATOM 0 HG3 GLN A 122 5.800 10.294 6.779 1.00 0.00 H new ATOM 0 HE21 GLN A 122 7.099 10.070 5.030 1.00 0.00 H new ATOM 0 HE22 GLN A 122 8.735 9.405 5.090 1.00 0.00 H new ATOM 2015 N HIS A 123 3.341 10.644 7.797 1.00 0.00 N ATOM 2016 CA HIS A 123 2.509 11.712 7.268 1.00 0.00 C ATOM 2017 C HIS A 123 1.722 12.361 8.408 1.00 0.00 C ATOM 2018 O HIS A 123 1.610 13.584 8.472 1.00 0.00 O ATOM 2019 CB HIS A 123 1.608 11.194 6.145 1.00 0.00 C ATOM 2020 CG HIS A 123 0.289 11.921 6.031 1.00 0.00 C ATOM 2021 ND1 HIS A 123 -0.890 11.286 5.683 1.00 0.00 N ATOM 2022 CD2 HIS A 123 -0.023 13.235 6.224 1.00 0.00 C ATOM 2023 CE1 HIS A 123 -1.862 12.186 5.669 1.00 0.00 C ATOM 2024 NE2 HIS A 123 -1.323 13.394 6.004 1.00 0.00 N ATOM 0 H HIS A 123 3.393 9.813 7.208 1.00 0.00 H new ATOM 0 HA HIS A 123 3.139 12.482 6.823 1.00 0.00 H new ATOM 0 HB2 HIS A 123 2.141 11.278 5.198 1.00 0.00 H new ATOM 0 HB3 HIS A 123 1.414 10.134 6.308 1.00 0.00 H new ATOM 0 HD2 HIS A 123 0.670 14.014 6.508 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -2.899 11.997 5.434 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -1.834 14.274 6.074 1.00 0.00 H new ATOM 2032 N LEU A 124 1.198 11.513 9.281 1.00 0.00 N ATOM 2033 CA LEU A 124 0.424 11.989 10.415 1.00 0.00 C ATOM 2034 C LEU A 124 1.321 12.039 11.653 1.00 0.00 C ATOM 2035 O LEU A 124 1.393 13.063 12.331 1.00 0.00 O ATOM 2036 CB LEU A 124 -0.833 11.138 10.601 1.00 0.00 C ATOM 2037 CG LEU A 124 -2.163 11.830 10.295 1.00 0.00 C ATOM 2038 CD1 LEU A 124 -2.940 11.073 9.217 1.00 0.00 C ATOM 2039 CD2 LEU A 124 -2.988 12.020 11.570 1.00 0.00 C ATOM 0 H LEU A 124 1.294 10.499 9.226 1.00 0.00 H new ATOM 0 HA LEU A 124 0.070 13.004 10.235 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.749 10.258 9.964 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -0.859 10.784 11.632 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.948 12.823 9.899 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -3.881 11.586 9.019 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.349 11.033 8.302 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -3.145 10.059 9.561 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -3.928 12.514 11.325 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.195 11.048 12.018 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -2.429 12.634 12.277 1.00 0.00 H new ATOM 2051 N SER A 125 1.983 10.920 11.911 1.00 0.00 N ATOM 2052 CA SER A 125 2.873 10.824 13.056 1.00 0.00 C ATOM 2053 C SER A 125 4.149 11.627 12.796 1.00 0.00 C ATOM 2054 O SER A 125 4.965 11.248 11.958 1.00 0.00 O ATOM 2055 CB SER A 125 3.217 9.365 13.365 1.00 0.00 C ATOM 2056 OG SER A 125 2.887 9.011 14.705 1.00 0.00 O ATOM 0 H SER A 125 1.921 10.072 11.347 1.00 0.00 H new ATOM 0 HA SER A 125 2.361 11.240 13.924 1.00 0.00 H new ATOM 0 HB2 SER A 125 2.682 8.712 12.675 1.00 0.00 H new ATOM 0 HB3 SER A 125 4.282 9.200 13.198 1.00 0.00 H new ATOM 0 HG SER A 125 3.120 8.072 14.862 1.00 0.00 H new ATOM 2062 N SER A 126 4.281 12.722 13.531 1.00 0.00 N ATOM 2063 CA SER A 126 5.444 13.581 13.390 1.00 0.00 C ATOM 2064 C SER A 126 6.722 12.741 13.415 1.00 0.00 C ATOM 2065 O SER A 126 6.732 11.637 13.957 1.00 0.00 O ATOM 2066 CB SER A 126 5.482 14.640 14.494 1.00 0.00 C ATOM 2067 OG SER A 126 5.908 15.908 14.003 1.00 0.00 O ATOM 0 H SER A 126 3.602 13.034 14.225 1.00 0.00 H new ATOM 0 HA SER A 126 5.375 14.096 12.432 1.00 0.00 H new ATOM 0 HB2 SER A 126 4.491 14.737 14.937 1.00 0.00 H new ATOM 0 HB3 SER A 126 6.155 14.313 15.287 1.00 0.00 H new ATOM 0 HG SER A 126 5.917 16.557 14.737 1.00 0.00 H new ATOM 2073 N ARG A 127 7.769 13.296 12.823 1.00 0.00 N ATOM 2074 CA ARG A 127 9.049 12.612 12.771 1.00 0.00 C ATOM 2075 C ARG A 127 10.037 13.258 13.744 1.00 0.00 C ATOM 2076 O ARG A 127 10.464 14.393 13.538 1.00 0.00 O ATOM 2077 CB ARG A 127 9.637 12.649 11.359 1.00 0.00 C ATOM 2078 CG ARG A 127 10.336 11.331 11.020 1.00 0.00 C ATOM 2079 CD ARG A 127 11.808 11.564 10.674 1.00 0.00 C ATOM 2080 NE ARG A 127 12.058 11.211 9.259 1.00 0.00 N ATOM 2081 CZ ARG A 127 11.839 12.040 8.229 1.00 0.00 C ATOM 2082 NH1 ARG A 127 11.366 13.273 8.449 1.00 0.00 N ATOM 2083 NH2 ARG A 127 12.094 11.634 6.977 1.00 0.00 N ATOM 0 H ARG A 127 7.757 14.212 12.375 1.00 0.00 H new ATOM 0 HA ARG A 127 8.881 11.573 13.055 1.00 0.00 H new ATOM 0 HB2 ARG A 127 8.844 12.840 10.636 1.00 0.00 H new ATOM 0 HB3 ARG A 127 10.347 13.472 11.279 1.00 0.00 H new ATOM 0 HG2 ARG A 127 10.261 10.648 11.866 1.00 0.00 H new ATOM 0 HG3 ARG A 127 9.832 10.854 10.179 1.00 0.00 H new ATOM 0 HD2 ARG A 127 12.070 12.607 10.849 1.00 0.00 H new ATOM 0 HD3 ARG A 127 12.443 10.963 11.325 1.00 0.00 H new ATOM 0 HE ARG A 127 12.419 10.279 9.055 1.00 0.00 H new ATOM 0 HH11 ARG A 127 11.172 13.582 9.401 1.00 0.00 H new ATOM 0 HH12 ARG A 127 11.200 13.903 7.664 1.00 0.00 H new ATOM 0 HH21 ARG A 127 12.454 10.695 6.809 1.00 0.00 H new ATOM 0 HH22 ARG A 127 11.928 12.264 6.193 1.00 0.00 H new ATOM 2097 N THR A 128 10.371 12.508 14.784 1.00 0.00 N ATOM 2098 CA THR A 128 11.300 12.994 15.789 1.00 0.00 C ATOM 2099 C THR A 128 12.743 12.732 15.353 1.00 0.00 C ATOM 2100 O THR A 128 13.523 13.668 15.180 1.00 0.00 O ATOM 2101 CB THR A 128 10.940 12.336 17.123 1.00 0.00 C ATOM 2102 OG1 THR A 128 9.688 12.919 17.471 1.00 0.00 O ATOM 2103 CG2 THR A 128 11.877 12.760 18.257 1.00 0.00 C ATOM 0 H THR A 128 10.015 11.567 14.952 1.00 0.00 H new ATOM 0 HA THR A 128 11.221 14.074 15.911 1.00 0.00 H new ATOM 0 HB THR A 128 10.971 11.252 17.013 1.00 0.00 H new ATOM 0 HG1 THR A 128 9.380 12.547 18.324 1.00 0.00 H new ATOM 0 HG21 THR A 128 11.578 12.265 19.181 1.00 0.00 H new ATOM 0 HG22 THR A 128 12.900 12.477 18.009 1.00 0.00 H new ATOM 0 HG23 THR A 128 11.821 13.840 18.390 1.00 0.00 H new ATOM 2111 N HIS A 129 13.055 11.455 15.188 1.00 0.00 N ATOM 2112 CA HIS A 129 14.391 11.059 14.775 1.00 0.00 C ATOM 2113 C HIS A 129 14.368 9.609 14.287 1.00 0.00 C ATOM 2114 O HIS A 129 13.429 8.868 14.575 1.00 0.00 O ATOM 2115 CB HIS A 129 15.399 11.289 15.902 1.00 0.00 C ATOM 2116 CG HIS A 129 16.657 12.003 15.465 1.00 0.00 C ATOM 2117 ND1 HIS A 129 16.927 13.318 15.799 1.00 0.00 N ATOM 2118 CD2 HIS A 129 17.713 11.570 14.719 1.00 0.00 C ATOM 2119 CE1 HIS A 129 18.096 13.652 15.272 1.00 0.00 C ATOM 2120 NE2 HIS A 129 18.581 12.567 14.602 1.00 0.00 N ATOM 0 H HIS A 129 12.406 10.681 15.333 1.00 0.00 H new ATOM 0 HA HIS A 129 14.717 11.682 13.942 1.00 0.00 H new ATOM 0 HB2 HIS A 129 14.920 11.869 16.691 1.00 0.00 H new ATOM 0 HB3 HIS A 129 15.671 10.326 16.334 1.00 0.00 H new ATOM 0 HD2 HIS A 129 17.824 10.583 14.295 1.00 0.00 H new ATOM 0 HE1 HIS A 129 18.580 14.614 15.358 1.00 0.00 H new ATOM 0 HE2 HIS A 129 19.465 12.528 14.095 1.00 0.00 H new ATOM 2128 N GLY A 130 15.413 9.247 13.558 1.00 0.00 N ATOM 2129 CA GLY A 130 15.525 7.898 13.028 1.00 0.00 C ATOM 2130 C GLY A 130 16.449 7.863 11.809 1.00 0.00 C ATOM 2131 O GLY A 130 16.426 8.773 10.982 1.00 0.00 O ATOM 0 H GLY A 130 16.190 9.864 13.322 1.00 0.00 H new ATOM 0 HA2 GLY A 130 15.910 7.231 13.800 1.00 0.00 H new ATOM 0 HA3 GLY A 130 14.537 7.529 12.751 1.00 0.00 H new ATOM 2135 N SER A 131 17.241 6.803 11.737 1.00 0.00 N ATOM 2136 CA SER A 131 18.171 6.637 10.634 1.00 0.00 C ATOM 2137 C SER A 131 18.719 5.209 10.621 1.00 0.00 C ATOM 2138 O SER A 131 18.999 4.638 11.674 1.00 0.00 O ATOM 2139 CB SER A 131 19.319 7.645 10.725 1.00 0.00 C ATOM 2140 OG SER A 131 20.102 7.457 11.901 1.00 0.00 O ATOM 0 H SER A 131 17.257 6.050 12.425 1.00 0.00 H new ATOM 0 HA SER A 131 17.634 6.821 9.704 1.00 0.00 H new ATOM 0 HB2 SER A 131 19.956 7.549 9.846 1.00 0.00 H new ATOM 0 HB3 SER A 131 18.914 8.657 10.717 1.00 0.00 H new ATOM 0 HG SER A 131 20.825 8.118 11.922 1.00 0.00 H new ATOM 2146 N GLU A 132 18.854 4.672 9.417 1.00 0.00 N ATOM 2147 CA GLU A 132 19.363 3.321 9.253 1.00 0.00 C ATOM 2148 C GLU A 132 18.375 2.308 9.835 1.00 0.00 C ATOM 2149 O GLU A 132 18.048 2.364 11.019 1.00 0.00 O ATOM 2150 CB GLU A 132 20.743 3.173 9.896 1.00 0.00 C ATOM 2151 CG GLU A 132 21.845 3.167 8.834 1.00 0.00 C ATOM 2152 CD GLU A 132 23.072 2.393 9.322 1.00 0.00 C ATOM 2153 OE1 GLU A 132 23.101 1.167 9.082 1.00 0.00 O ATOM 2154 OE2 GLU A 132 23.953 3.046 9.922 1.00 0.00 O ATOM 0 H GLU A 132 18.620 5.148 8.546 1.00 0.00 H new ATOM 0 HA GLU A 132 19.473 3.122 8.187 1.00 0.00 H new ATOM 0 HB2 GLU A 132 20.912 3.992 10.596 1.00 0.00 H new ATOM 0 HB3 GLU A 132 20.783 2.248 10.472 1.00 0.00 H new ATOM 0 HG2 GLU A 132 21.468 2.717 7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 132 22.129 4.192 8.593 1.00 0.00 H new ATOM 2161 N ASP A 133 17.928 1.404 8.975 1.00 0.00 N ATOM 2162 CA ASP A 133 16.984 0.380 9.389 1.00 0.00 C ATOM 2163 C ASP A 133 17.621 -0.999 9.204 1.00 0.00 C ATOM 2164 O ASP A 133 17.772 -1.471 8.079 1.00 0.00 O ATOM 2165 CB ASP A 133 15.711 0.430 8.542 1.00 0.00 C ATOM 2166 CG ASP A 133 14.551 -0.419 9.068 1.00 0.00 C ATOM 2167 OD1 ASP A 133 14.162 -0.188 10.233 1.00 0.00 O ATOM 2168 OD2 ASP A 133 14.080 -1.279 8.293 1.00 0.00 O ATOM 0 H ASP A 133 18.202 1.360 7.994 1.00 0.00 H new ATOM 0 HA ASP A 133 16.729 0.558 10.434 1.00 0.00 H new ATOM 0 HB2 ASP A 133 15.380 1.466 8.471 1.00 0.00 H new ATOM 0 HB3 ASP A 133 15.952 0.102 7.531 1.00 0.00 H new ATOM 2173 N SER A 134 17.977 -1.606 10.327 1.00 0.00 N ATOM 2174 CA SER A 134 18.594 -2.921 10.303 1.00 0.00 C ATOM 2175 C SER A 134 17.530 -3.994 10.067 1.00 0.00 C ATOM 2176 O SER A 134 17.829 -5.187 10.095 1.00 0.00 O ATOM 2177 CB SER A 134 19.349 -3.199 11.605 1.00 0.00 C ATOM 2178 OG SER A 134 20.713 -3.536 11.370 1.00 0.00 O ATOM 0 H SER A 134 17.850 -1.211 11.259 1.00 0.00 H new ATOM 0 HA SER A 134 19.314 -2.946 9.485 1.00 0.00 H new ATOM 0 HB2 SER A 134 19.298 -2.320 12.248 1.00 0.00 H new ATOM 0 HB3 SER A 134 18.861 -4.014 12.140 1.00 0.00 H new ATOM 0 HG SER A 134 21.160 -3.704 12.225 1.00 0.00 H new TER 2184 SER A 134