USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 896 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 4 GLN : amide:sc= -0.0381 X(o=-0.038,f=0) USER MOD Set 1.2: A 5 GLN : amide:sc= 0 K(o=-0.038,f=-1.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= -0.162 (180deg=-0.997) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.34 K(o=-0.34,f=-3.6!) USER MOD Single : A 28 GLN : amide:sc= -1.69! C(o=-1.7!,f=-5!) USER MOD Single : A 29 MET CE :methyl -110:sc= -0.911 (180deg=-2.58!) USER MOD Single : A 33 SER OG : rot 61:sc= 0.0601 USER MOD Single : A 39 CYS SG : rot 70:sc= -7.19! USER MOD Single : A 43 LYS NZ :NH3+ -134:sc= 0.588 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= -0.0114 (180deg=-0.0114) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 68 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.0186) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.0264 F(o=-0.53,f=-0.026) USER MOD Single : A 76 GLN : amide:sc= -1.5 K(o=-1.5,f=-3.1!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -173:sc= -7.75! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00202 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -165:sc= -1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.761 -7.632 -30.122 1.00 1.00 N ATOM 2 CA MET A 1 -17.066 -6.818 -29.078 1.00 1.00 C ATOM 3 C MET A 1 -15.738 -7.484 -28.690 1.00 1.00 C ATOM 4 O MET A 1 -15.601 -8.695 -28.739 1.00 1.00 O ATOM 5 CB MET A 1 -17.963 -6.686 -27.837 1.00 1.00 C ATOM 6 CG MET A 1 -18.203 -8.064 -27.210 1.00 1.00 C ATOM 7 SD MET A 1 -19.710 -8.014 -26.206 1.00 1.00 S ATOM 8 CE MET A 1 -20.880 -8.409 -27.529 1.00 1.00 C ATOM 0 H1 MET A 1 -18.777 -7.680 -29.906 1.00 1.00 H new ATOM 0 H2 MET A 1 -17.626 -7.190 -31.054 1.00 1.00 H new ATOM 0 H3 MET A 1 -17.364 -8.593 -30.134 1.00 1.00 H new ATOM 0 HA MET A 1 -16.862 -5.826 -29.480 1.00 1.00 H new ATOM 0 HB2 MET A 1 -17.494 -6.024 -27.109 1.00 1.00 H new ATOM 0 HB3 MET A 1 -18.915 -6.233 -28.114 1.00 1.00 H new ATOM 0 HG2 MET A 1 -18.298 -8.819 -27.990 1.00 1.00 H new ATOM 0 HG3 MET A 1 -17.351 -8.348 -26.593 1.00 1.00 H new ATOM 0 HE1 MET A 1 -21.892 -8.431 -27.125 1.00 1.00 H new ATOM 0 HE2 MET A 1 -20.817 -7.650 -28.309 1.00 1.00 H new ATOM 0 HE3 MET A 1 -20.636 -9.384 -27.951 1.00 1.00 H new ATOM 20 N ALA A 2 -14.761 -6.696 -28.305 1.00 1.00 N ATOM 21 CA ALA A 2 -13.435 -7.265 -27.910 1.00 1.00 C ATOM 22 C ALA A 2 -13.493 -7.744 -26.454 1.00 1.00 C ATOM 23 O ALA A 2 -13.142 -8.869 -26.152 1.00 1.00 O ATOM 24 CB ALA A 2 -12.353 -6.190 -28.053 1.00 1.00 C ATOM 0 H ALA A 2 -14.827 -5.680 -28.248 1.00 1.00 H new ATOM 0 HA ALA A 2 -13.196 -8.108 -28.558 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -11.387 -6.605 -27.765 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -12.309 -5.854 -29.089 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -12.592 -5.345 -27.407 1.00 1.00 H new ATOM 30 N GLU A 3 -13.934 -6.894 -25.552 1.00 1.00 N ATOM 31 CA GLU A 3 -14.020 -7.291 -24.110 1.00 1.00 C ATOM 32 C GLU A 3 -15.225 -6.607 -23.445 1.00 1.00 C ATOM 33 O GLU A 3 -15.794 -5.670 -23.979 1.00 1.00 O ATOM 34 CB GLU A 3 -12.731 -6.879 -23.388 1.00 1.00 C ATOM 35 CG GLU A 3 -12.581 -5.352 -23.409 1.00 1.00 C ATOM 36 CD GLU A 3 -11.237 -4.971 -24.038 1.00 1.00 C ATOM 37 OE1 GLU A 3 -11.173 -4.905 -25.256 1.00 1.00 O ATOM 38 OE2 GLU A 3 -10.296 -4.750 -23.293 1.00 1.00 O ATOM 0 H GLU A 3 -14.238 -5.942 -25.755 1.00 1.00 H new ATOM 0 HA GLU A 3 -14.146 -8.372 -24.045 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -12.751 -7.236 -22.358 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -11.871 -7.344 -23.870 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -13.398 -4.905 -23.976 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -12.643 -4.957 -22.395 1.00 1.00 H new ATOM 45 N GLN A 4 -15.609 -7.073 -22.281 1.00 1.00 N ATOM 46 CA GLN A 4 -16.772 -6.463 -21.560 1.00 1.00 C ATOM 47 C GLN A 4 -16.285 -5.632 -20.355 1.00 1.00 C ATOM 48 O GLN A 4 -17.083 -5.054 -19.639 1.00 1.00 O ATOM 49 CB GLN A 4 -17.711 -7.577 -21.073 1.00 1.00 C ATOM 50 CG GLN A 4 -16.964 -8.517 -20.118 1.00 1.00 C ATOM 51 CD GLN A 4 -17.785 -8.707 -18.839 1.00 1.00 C ATOM 52 OE1 GLN A 4 -18.464 -9.702 -18.683 1.00 1.00 O ATOM 53 NE2 GLN A 4 -17.750 -7.791 -17.910 1.00 1.00 N ATOM 0 H GLN A 4 -15.165 -7.853 -21.797 1.00 1.00 H new ATOM 0 HA GLN A 4 -17.306 -5.804 -22.245 1.00 1.00 H new ATOM 0 HB2 GLN A 4 -18.573 -7.142 -20.567 1.00 1.00 H new ATOM 0 HB3 GLN A 4 -18.093 -8.140 -21.925 1.00 1.00 H new ATOM 0 HG2 GLN A 4 -16.793 -9.480 -20.599 1.00 1.00 H new ATOM 0 HG3 GLN A 4 -15.985 -8.103 -19.876 1.00 1.00 H new ATOM 0 HE21 GLN A 4 -17.180 -6.955 -18.039 1.00 1.00 H new ATOM 0 HE22 GLN A 4 -18.292 -7.911 -17.055 1.00 1.00 H new ATOM 62 N GLN A 5 -14.988 -5.567 -20.126 1.00 1.00 N ATOM 63 CA GLN A 5 -14.459 -4.777 -18.971 1.00 1.00 C ATOM 64 C GLN A 5 -13.616 -3.597 -19.482 1.00 1.00 C ATOM 65 O GLN A 5 -13.444 -3.418 -20.676 1.00 1.00 O ATOM 66 CB GLN A 5 -13.590 -5.685 -18.094 1.00 1.00 C ATOM 67 CG GLN A 5 -14.428 -6.235 -16.937 1.00 1.00 C ATOM 68 CD GLN A 5 -14.132 -7.726 -16.751 1.00 1.00 C ATOM 69 OE1 GLN A 5 -14.771 -8.564 -17.358 1.00 1.00 O ATOM 70 NE2 GLN A 5 -13.184 -8.097 -15.933 1.00 1.00 N ATOM 0 H GLN A 5 -14.277 -6.029 -20.693 1.00 1.00 H new ATOM 0 HA GLN A 5 -15.294 -4.390 -18.387 1.00 1.00 H new ATOM 0 HB2 GLN A 5 -13.189 -6.506 -18.688 1.00 1.00 H new ATOM 0 HB3 GLN A 5 -12.738 -5.126 -17.706 1.00 1.00 H new ATOM 0 HG2 GLN A 5 -14.201 -5.692 -16.020 1.00 1.00 H new ATOM 0 HG3 GLN A 5 -15.489 -6.087 -17.141 1.00 1.00 H new ATOM 0 HE21 GLN A 5 -12.647 -7.396 -15.423 1.00 1.00 H new ATOM 0 HE22 GLN A 5 -12.981 -9.088 -15.804 1.00 1.00 H new ATOM 79 N GLN A 6 -13.094 -2.794 -18.575 1.00 1.00 N ATOM 80 CA GLN A 6 -12.255 -1.613 -18.966 1.00 1.00 C ATOM 81 C GLN A 6 -13.130 -0.550 -19.646 1.00 1.00 C ATOM 82 O GLN A 6 -13.552 -0.708 -20.780 1.00 1.00 O ATOM 83 CB GLN A 6 -11.135 -2.055 -19.920 1.00 1.00 C ATOM 84 CG GLN A 6 -10.055 -0.970 -19.988 1.00 1.00 C ATOM 85 CD GLN A 6 -8.761 -1.493 -19.357 1.00 1.00 C ATOM 86 OE1 GLN A 6 -7.991 -2.178 -20.000 1.00 1.00 O ATOM 87 NE2 GLN A 6 -8.485 -1.193 -18.116 1.00 1.00 N ATOM 0 H GLN A 6 -13.217 -2.911 -17.569 1.00 1.00 H new ATOM 0 HA GLN A 6 -11.808 -1.186 -18.068 1.00 1.00 H new ATOM 0 HB2 GLN A 6 -10.700 -2.993 -19.575 1.00 1.00 H new ATOM 0 HB3 GLN A 6 -11.543 -2.239 -20.914 1.00 1.00 H new ATOM 0 HG2 GLN A 6 -9.877 -0.685 -21.025 1.00 1.00 H new ATOM 0 HG3 GLN A 6 -10.391 -0.075 -19.464 1.00 1.00 H new ATOM 0 HE21 GLN A 6 -9.130 -0.618 -17.575 1.00 1.00 H new ATOM 0 HE22 GLN A 6 -7.624 -1.534 -17.688 1.00 1.00 H new ATOM 96 N GLU A 7 -13.403 0.536 -18.958 1.00 1.00 N ATOM 97 CA GLU A 7 -14.246 1.619 -19.549 1.00 1.00 C ATOM 98 C GLU A 7 -13.359 2.824 -19.893 1.00 1.00 C ATOM 99 O GLU A 7 -13.091 3.089 -21.051 1.00 1.00 O ATOM 100 CB GLU A 7 -15.331 2.032 -18.545 1.00 1.00 C ATOM 101 CG GLU A 7 -16.669 2.194 -19.273 1.00 1.00 C ATOM 102 CD GLU A 7 -17.783 1.519 -18.463 1.00 1.00 C ATOM 103 OE1 GLU A 7 -18.375 2.190 -17.632 1.00 1.00 O ATOM 104 OE2 GLU A 7 -18.025 0.344 -18.690 1.00 1.00 O ATOM 0 H GLU A 7 -13.075 0.716 -18.009 1.00 1.00 H new ATOM 0 HA GLU A 7 -14.725 1.256 -20.458 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -15.421 1.280 -17.761 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -15.054 2.968 -18.059 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -16.895 3.252 -19.409 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -16.609 1.751 -20.267 1.00 1.00 H new ATOM 111 N GLN A 8 -12.902 3.552 -18.897 1.00 1.00 N ATOM 112 CA GLN A 8 -12.028 4.741 -19.162 1.00 1.00 C ATOM 113 C GLN A 8 -11.310 5.174 -17.868 1.00 1.00 C ATOM 114 O GLN A 8 -11.001 6.338 -17.681 1.00 1.00 O ATOM 115 CB GLN A 8 -12.897 5.895 -19.684 1.00 1.00 C ATOM 116 CG GLN A 8 -12.065 6.789 -20.608 1.00 1.00 C ATOM 117 CD GLN A 8 -12.503 8.247 -20.444 1.00 1.00 C ATOM 118 OE1 GLN A 8 -13.231 8.771 -21.264 1.00 1.00 O ATOM 119 NE2 GLN A 8 -12.087 8.931 -19.411 1.00 1.00 N ATOM 0 H GLN A 8 -13.098 3.373 -17.912 1.00 1.00 H new ATOM 0 HA GLN A 8 -11.276 4.478 -19.906 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -13.758 5.500 -20.223 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -13.284 6.479 -18.849 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -11.006 6.688 -20.371 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -12.191 6.475 -21.644 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -11.476 8.493 -18.722 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -12.373 9.903 -19.294 1.00 1.00 H new ATOM 128 N GLN A 9 -11.039 4.244 -16.976 1.00 1.00 N ATOM 129 CA GLN A 9 -10.343 4.597 -15.698 1.00 1.00 C ATOM 130 C GLN A 9 -9.168 3.637 -15.453 1.00 1.00 C ATOM 131 O GLN A 9 -9.042 2.611 -16.098 1.00 1.00 O ATOM 132 CB GLN A 9 -11.334 4.494 -14.535 1.00 1.00 C ATOM 133 CG GLN A 9 -11.246 5.755 -13.671 1.00 1.00 C ATOM 134 CD GLN A 9 -12.220 5.639 -12.496 1.00 1.00 C ATOM 135 OE1 GLN A 9 -11.888 5.080 -11.469 1.00 1.00 O ATOM 136 NE2 GLN A 9 -13.418 6.148 -12.602 1.00 1.00 N ATOM 0 H GLN A 9 -11.271 3.256 -17.081 1.00 1.00 H new ATOM 0 HA GLN A 9 -9.962 5.616 -15.770 1.00 1.00 H new ATOM 0 HB2 GLN A 9 -12.348 4.373 -14.917 1.00 1.00 H new ATOM 0 HB3 GLN A 9 -11.113 3.613 -13.933 1.00 1.00 H new ATOM 0 HG2 GLN A 9 -10.229 5.885 -13.302 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -11.484 6.635 -14.268 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -13.698 6.617 -13.463 1.00 1.00 H new ATOM 0 HE22 GLN A 9 -14.073 6.076 -11.824 1.00 1.00 H new ATOM 145 N ILE A 10 -8.316 3.966 -14.509 1.00 1.00 N ATOM 146 CA ILE A 10 -7.147 3.081 -14.191 1.00 1.00 C ATOM 147 C ILE A 10 -7.487 2.207 -12.973 1.00 1.00 C ATOM 148 O ILE A 10 -8.318 2.565 -12.156 1.00 1.00 O ATOM 149 CB ILE A 10 -5.884 3.928 -13.907 1.00 1.00 C ATOM 150 CG1 ILE A 10 -5.874 4.443 -12.451 1.00 1.00 C ATOM 151 CG2 ILE A 10 -5.819 5.114 -14.876 1.00 1.00 C ATOM 152 CD1 ILE A 10 -6.984 5.478 -12.229 1.00 1.00 C ATOM 0 H ILE A 10 -8.380 4.812 -13.943 1.00 1.00 H new ATOM 0 HA ILE A 10 -6.940 2.442 -15.049 1.00 1.00 H new ATOM 0 HB ILE A 10 -5.011 3.291 -14.051 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -6.008 3.607 -11.764 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -4.905 4.889 -12.225 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -4.927 5.705 -14.669 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -5.780 4.745 -15.901 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -6.704 5.737 -14.748 1.00 1.00 H new ATOM 0 HD11 ILE A 10 -6.956 5.825 -11.196 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -6.833 6.323 -12.900 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -7.953 5.022 -12.432 1.00 1.00 H new ATOM 164 N ARG A 11 -6.850 1.062 -12.850 1.00 1.00 N ATOM 165 CA ARG A 11 -7.140 0.157 -11.682 1.00 1.00 C ATOM 166 C ARG A 11 -6.261 -1.087 -11.702 1.00 1.00 C ATOM 167 O ARG A 11 -5.893 -1.630 -10.676 1.00 1.00 O ATOM 168 CB ARG A 11 -8.617 -0.267 -11.701 1.00 1.00 C ATOM 169 CG ARG A 11 -9.029 -0.683 -13.120 1.00 1.00 C ATOM 170 CD ARG A 11 -10.048 -1.823 -13.052 1.00 1.00 C ATOM 171 NE ARG A 11 -10.913 -1.790 -14.268 1.00 1.00 N ATOM 172 CZ ARG A 11 -10.865 -2.767 -15.135 1.00 1.00 C ATOM 173 NH1 ARG A 11 -9.810 -2.917 -15.895 1.00 1.00 N ATOM 174 NH2 ARG A 11 -11.873 -3.593 -15.244 1.00 1.00 N ATOM 0 H ARG A 11 -6.146 0.716 -13.502 1.00 1.00 H new ATOM 0 HA ARG A 11 -6.922 0.716 -10.772 1.00 1.00 H new ATOM 0 HB2 ARG A 11 -8.774 -1.096 -11.011 1.00 1.00 H new ATOM 0 HB3 ARG A 11 -9.244 0.556 -11.359 1.00 1.00 H new ATOM 0 HG2 ARG A 11 -9.457 0.169 -13.648 1.00 1.00 H new ATOM 0 HG3 ARG A 11 -8.152 -1.000 -13.685 1.00 1.00 H new ATOM 0 HD2 ARG A 11 -9.533 -2.782 -12.985 1.00 1.00 H new ATOM 0 HD3 ARG A 11 -10.659 -1.726 -12.155 1.00 1.00 H new ATOM 0 HE ARG A 11 -11.543 -1.003 -14.423 1.00 1.00 H new ATOM 0 HH11 ARG A 11 -9.025 -2.271 -15.811 1.00 1.00 H new ATOM 0 HH12 ARG A 11 -9.773 -3.680 -16.571 1.00 1.00 H new ATOM 0 HH21 ARG A 11 -12.696 -3.475 -14.653 1.00 1.00 H new ATOM 0 HH22 ARG A 11 -11.837 -4.356 -15.920 1.00 1.00 H new ATOM 188 N VAL A 12 -5.944 -1.524 -12.862 1.00 1.00 N ATOM 189 CA VAL A 12 -5.094 -2.750 -13.030 1.00 1.00 C ATOM 190 C VAL A 12 -3.622 -2.394 -12.922 1.00 1.00 C ATOM 191 O VAL A 12 -3.014 -2.470 -11.868 1.00 1.00 O ATOM 192 CB VAL A 12 -5.364 -3.436 -14.391 1.00 1.00 C ATOM 193 CG1 VAL A 12 -6.159 -4.711 -14.162 1.00 1.00 C ATOM 194 CG2 VAL A 12 -6.150 -2.519 -15.338 1.00 1.00 C ATOM 0 H VAL A 12 -6.235 -1.087 -13.737 1.00 1.00 H new ATOM 0 HA VAL A 12 -5.356 -3.446 -12.233 1.00 1.00 H new ATOM 0 HB VAL A 12 -4.402 -3.661 -14.852 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -6.351 -5.197 -15.119 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -5.590 -5.384 -13.521 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -7.107 -4.468 -13.682 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -6.321 -3.033 -16.284 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -7.108 -2.263 -14.885 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -5.580 -1.608 -15.519 1.00 1.00 H new ATOM 204 N ARG A 13 -3.072 -2.029 -14.016 1.00 1.00 N ATOM 205 CA ARG A 13 -1.621 -1.664 -14.085 1.00 1.00 C ATOM 206 C ARG A 13 -1.366 -0.350 -13.335 1.00 1.00 C ATOM 207 O ARG A 13 -2.101 0.613 -13.472 1.00 1.00 O ATOM 208 CB ARG A 13 -1.204 -1.501 -15.551 1.00 1.00 C ATOM 209 CG ARG A 13 0.324 -1.448 -15.650 1.00 1.00 C ATOM 210 CD ARG A 13 0.734 -0.513 -16.793 1.00 1.00 C ATOM 211 NE ARG A 13 1.149 -1.321 -17.976 1.00 1.00 N ATOM 212 CZ ARG A 13 0.258 -1.991 -18.658 1.00 1.00 C ATOM 213 NH1 ARG A 13 -0.619 -1.354 -19.392 1.00 1.00 N ATOM 214 NH2 ARG A 13 0.244 -3.298 -18.607 1.00 1.00 N ATOM 0 H ARG A 13 -3.566 -1.959 -14.906 1.00 1.00 H new ATOM 0 HA ARG A 13 -1.036 -2.457 -13.620 1.00 1.00 H new ATOM 0 HB2 ARG A 13 -1.588 -2.332 -16.143 1.00 1.00 H new ATOM 0 HB3 ARG A 13 -1.637 -0.589 -15.963 1.00 1.00 H new ATOM 0 HG2 ARG A 13 0.747 -1.096 -14.709 1.00 1.00 H new ATOM 0 HG3 ARG A 13 0.722 -2.448 -15.824 1.00 1.00 H new ATOM 0 HD2 ARG A 13 -0.098 0.139 -17.059 1.00 1.00 H new ATOM 0 HD3 ARG A 13 1.554 0.130 -16.474 1.00 1.00 H new ATOM 0 HE ARG A 13 2.130 -1.351 -18.253 1.00 1.00 H new ATOM 0 HH11 ARG A 13 -0.607 -0.335 -19.432 1.00 1.00 H new ATOM 0 HH12 ARG A 13 -1.314 -1.877 -19.924 1.00 1.00 H new ATOM 0 HH21 ARG A 13 0.928 -3.793 -18.035 1.00 1.00 H new ATOM 0 HH22 ARG A 13 -0.451 -3.822 -19.139 1.00 1.00 H new ATOM 228 N ILE A 14 -0.317 -0.314 -12.547 1.00 1.00 N ATOM 229 CA ILE A 14 0.027 0.923 -11.773 1.00 1.00 C ATOM 230 C ILE A 14 0.705 1.947 -12.705 1.00 1.00 C ATOM 231 O ILE A 14 1.170 1.595 -13.775 1.00 1.00 O ATOM 232 CB ILE A 14 0.974 0.562 -10.617 1.00 1.00 C ATOM 233 CG1 ILE A 14 2.204 -0.184 -11.158 1.00 1.00 C ATOM 234 CG2 ILE A 14 0.238 -0.332 -9.614 1.00 1.00 C ATOM 235 CD1 ILE A 14 3.306 -0.199 -10.097 1.00 1.00 C ATOM 0 H ILE A 14 0.322 -1.096 -12.406 1.00 1.00 H new ATOM 0 HA ILE A 14 -0.885 1.360 -11.366 1.00 1.00 H new ATOM 0 HB ILE A 14 1.299 1.478 -10.124 1.00 1.00 H new ATOM 0 HG12 ILE A 14 1.932 -1.204 -11.429 1.00 1.00 H new ATOM 0 HG13 ILE A 14 2.566 0.301 -12.065 1.00 1.00 H new ATOM 0 HG21 ILE A 14 0.909 -0.588 -8.794 1.00 1.00 H new ATOM 0 HG22 ILE A 14 -0.629 0.199 -9.221 1.00 1.00 H new ATOM 0 HG23 ILE A 14 -0.091 -1.244 -10.112 1.00 1.00 H new ATOM 0 HD11 ILE A 14 4.176 -0.729 -10.484 1.00 1.00 H new ATOM 0 HD12 ILE A 14 3.585 0.825 -9.848 1.00 1.00 H new ATOM 0 HD13 ILE A 14 2.942 -0.704 -9.202 1.00 1.00 H new ATOM 247 N PRO A 15 0.737 3.190 -12.269 1.00 1.00 N ATOM 248 CA PRO A 15 1.346 4.293 -13.044 1.00 1.00 C ATOM 249 C PRO A 15 2.881 4.238 -12.979 1.00 1.00 C ATOM 250 O PRO A 15 3.546 4.299 -13.996 1.00 1.00 O ATOM 251 CB PRO A 15 0.805 5.555 -12.362 1.00 1.00 C ATOM 252 CG PRO A 15 0.390 5.136 -10.932 1.00 1.00 C ATOM 253 CD PRO A 15 0.174 3.611 -10.966 1.00 1.00 C ATOM 0 HA PRO A 15 1.101 4.249 -14.105 1.00 1.00 H new ATOM 0 HB2 PRO A 15 1.565 6.336 -12.333 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -0.046 5.958 -12.911 1.00 1.00 H new ATOM 0 HG2 PRO A 15 1.163 5.402 -10.211 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -0.522 5.650 -10.627 1.00 1.00 H new ATOM 0 HD2 PRO A 15 0.681 3.119 -10.136 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -0.883 3.357 -10.889 1.00 1.00 H new ATOM 261 N ARG A 16 3.445 4.124 -11.797 1.00 1.00 N ATOM 262 CA ARG A 16 4.937 4.064 -11.671 1.00 1.00 C ATOM 263 C ARG A 16 5.430 2.648 -12.001 1.00 1.00 C ATOM 264 O ARG A 16 4.691 1.685 -11.904 1.00 1.00 O ATOM 265 CB ARG A 16 5.350 4.433 -10.241 1.00 1.00 C ATOM 266 CG ARG A 16 5.752 5.910 -10.190 1.00 1.00 C ATOM 267 CD ARG A 16 6.687 6.150 -9.001 1.00 1.00 C ATOM 268 NE ARG A 16 7.689 7.197 -9.359 1.00 1.00 N ATOM 269 CZ ARG A 16 8.199 7.959 -8.427 1.00 1.00 C ATOM 270 NH1 ARG A 16 7.568 9.040 -8.049 1.00 1.00 N ATOM 271 NH2 ARG A 16 9.342 7.641 -7.876 1.00 1.00 N ATOM 0 H ARG A 16 2.935 4.070 -10.915 1.00 1.00 H new ATOM 0 HA ARG A 16 5.384 4.772 -12.369 1.00 1.00 H new ATOM 0 HB2 ARG A 16 4.525 4.246 -9.553 1.00 1.00 H new ATOM 0 HB3 ARG A 16 6.182 3.807 -9.919 1.00 1.00 H new ATOM 0 HG2 ARG A 16 6.248 6.194 -11.118 1.00 1.00 H new ATOM 0 HG3 ARG A 16 4.864 6.536 -10.099 1.00 1.00 H new ATOM 0 HD2 ARG A 16 6.112 6.465 -8.130 1.00 1.00 H new ATOM 0 HD3 ARG A 16 7.194 5.224 -8.731 1.00 1.00 H new ATOM 0 HE ARG A 16 7.976 7.318 -10.330 1.00 1.00 H new ATOM 0 HH11 ARG A 16 6.678 9.289 -8.481 1.00 1.00 H new ATOM 0 HH12 ARG A 16 7.966 9.635 -7.322 1.00 1.00 H new ATOM 0 HH21 ARG A 16 9.835 6.799 -8.174 1.00 1.00 H new ATOM 0 HH22 ARG A 16 9.740 8.235 -7.149 1.00 1.00 H new ATOM 285 N LYS A 17 6.677 2.518 -12.395 1.00 1.00 N ATOM 286 CA LYS A 17 7.232 1.172 -12.737 1.00 1.00 C ATOM 287 C LYS A 17 8.593 0.987 -12.047 1.00 1.00 C ATOM 288 O LYS A 17 9.599 0.721 -12.685 1.00 1.00 O ATOM 289 CB LYS A 17 7.396 1.062 -14.262 1.00 1.00 C ATOM 290 CG LYS A 17 6.022 1.096 -14.936 1.00 1.00 C ATOM 291 CD LYS A 17 5.783 2.480 -15.548 1.00 1.00 C ATOM 292 CE LYS A 17 5.791 2.377 -17.075 1.00 1.00 C ATOM 293 NZ LYS A 17 5.676 3.740 -17.668 1.00 1.00 N ATOM 0 H LYS A 17 7.335 3.291 -12.494 1.00 1.00 H new ATOM 0 HA LYS A 17 6.550 0.395 -12.392 1.00 1.00 H new ATOM 0 HB2 LYS A 17 8.012 1.882 -14.631 1.00 1.00 H new ATOM 0 HB3 LYS A 17 7.913 0.136 -14.515 1.00 1.00 H new ATOM 0 HG2 LYS A 17 5.967 0.331 -15.710 1.00 1.00 H new ATOM 0 HG3 LYS A 17 5.243 0.870 -14.208 1.00 1.00 H new ATOM 0 HD2 LYS A 17 4.828 2.880 -15.206 1.00 1.00 H new ATOM 0 HD3 LYS A 17 6.556 3.173 -15.217 1.00 1.00 H new ATOM 0 HE2 LYS A 17 6.710 1.899 -17.413 1.00 1.00 H new ATOM 0 HE3 LYS A 17 4.964 1.752 -17.412 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 5.682 3.669 -18.706 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 4.787 4.180 -17.356 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 6.479 4.323 -17.357 1.00 1.00 H new ATOM 307 N GLU A 18 8.629 1.129 -10.742 1.00 1.00 N ATOM 308 CA GLU A 18 9.919 0.966 -9.994 1.00 1.00 C ATOM 309 C GLU A 18 9.653 0.390 -8.594 1.00 1.00 C ATOM 310 O GLU A 18 8.518 0.191 -8.194 1.00 1.00 O ATOM 311 CB GLU A 18 10.615 2.327 -9.869 1.00 1.00 C ATOM 312 CG GLU A 18 9.661 3.349 -9.237 1.00 1.00 C ATOM 313 CD GLU A 18 9.481 4.539 -10.184 1.00 1.00 C ATOM 314 OE1 GLU A 18 8.618 4.462 -11.044 1.00 1.00 O ATOM 315 OE2 GLU A 18 10.208 5.506 -10.034 1.00 1.00 O ATOM 0 H GLU A 18 7.820 1.351 -10.162 1.00 1.00 H new ATOM 0 HA GLU A 18 10.562 0.277 -10.542 1.00 1.00 H new ATOM 0 HB2 GLU A 18 11.513 2.230 -9.259 1.00 1.00 H new ATOM 0 HB3 GLU A 18 10.933 2.674 -10.852 1.00 1.00 H new ATOM 0 HG2 GLU A 18 8.696 2.884 -9.034 1.00 1.00 H new ATOM 0 HG3 GLU A 18 10.058 3.689 -8.281 1.00 1.00 H new ATOM 322 N GLU A 19 10.703 0.120 -7.849 1.00 1.00 N ATOM 323 CA GLU A 19 10.539 -0.446 -6.472 1.00 1.00 C ATOM 324 C GLU A 19 10.217 0.669 -5.459 1.00 1.00 C ATOM 325 O GLU A 19 9.910 0.389 -4.313 1.00 1.00 O ATOM 326 CB GLU A 19 11.834 -1.152 -6.057 1.00 1.00 C ATOM 327 CG GLU A 19 11.778 -2.621 -6.488 1.00 1.00 C ATOM 328 CD GLU A 19 13.018 -3.358 -5.973 1.00 1.00 C ATOM 329 OE1 GLU A 19 12.963 -3.870 -4.866 1.00 1.00 O ATOM 330 OE2 GLU A 19 14.001 -3.400 -6.695 1.00 1.00 O ATOM 0 H GLU A 19 11.670 0.269 -8.139 1.00 1.00 H new ATOM 0 HA GLU A 19 9.712 -1.156 -6.482 1.00 1.00 H new ATOM 0 HB2 GLU A 19 12.692 -0.660 -6.516 1.00 1.00 H new ATOM 0 HB3 GLU A 19 11.968 -1.084 -4.977 1.00 1.00 H new ATOM 0 HG2 GLU A 19 10.875 -3.091 -6.097 1.00 1.00 H new ATOM 0 HG3 GLU A 19 11.728 -2.689 -7.575 1.00 1.00 H new ATOM 337 N ASN A 20 10.280 1.922 -5.867 1.00 1.00 N ATOM 338 CA ASN A 20 9.972 3.050 -4.926 1.00 1.00 C ATOM 339 C ASN A 20 8.587 2.842 -4.297 1.00 1.00 C ATOM 340 O ASN A 20 8.381 3.127 -3.131 1.00 1.00 O ATOM 341 CB ASN A 20 9.979 4.377 -5.693 1.00 1.00 C ATOM 342 CG ASN A 20 11.422 4.792 -5.997 1.00 1.00 C ATOM 343 OD1 ASN A 20 11.921 4.547 -7.078 1.00 1.00 O ATOM 344 ND2 ASN A 20 12.116 5.416 -5.085 1.00 1.00 N ATOM 0 H ASN A 20 10.532 2.209 -6.813 1.00 1.00 H new ATOM 0 HA ASN A 20 10.729 3.073 -4.142 1.00 1.00 H new ATOM 0 HB2 ASN A 20 9.417 4.274 -6.621 1.00 1.00 H new ATOM 0 HB3 ASN A 20 9.485 5.150 -5.105 1.00 1.00 H new ATOM 0 HD21 ASN A 20 13.077 5.698 -5.279 1.00 1.00 H new ATOM 0 HD22 ASN A 20 11.698 5.622 -4.178 1.00 1.00 H new ATOM 351 N GLU A 21 7.642 2.349 -5.064 1.00 1.00 N ATOM 352 CA GLU A 21 6.267 2.119 -4.525 1.00 1.00 C ATOM 353 C GLU A 21 6.288 0.950 -3.530 1.00 1.00 C ATOM 354 O GLU A 21 6.663 -0.159 -3.869 1.00 1.00 O ATOM 355 CB GLU A 21 5.313 1.796 -5.681 1.00 1.00 C ATOM 356 CG GLU A 21 4.302 2.935 -5.841 1.00 1.00 C ATOM 357 CD GLU A 21 3.055 2.640 -5.002 1.00 1.00 C ATOM 358 OE1 GLU A 21 3.141 2.738 -3.787 1.00 1.00 O ATOM 359 OE2 GLU A 21 2.033 2.322 -5.589 1.00 1.00 O ATOM 0 H GLU A 21 7.767 2.096 -6.044 1.00 1.00 H new ATOM 0 HA GLU A 21 5.925 3.018 -4.012 1.00 1.00 H new ATOM 0 HB2 GLU A 21 5.876 1.662 -6.605 1.00 1.00 H new ATOM 0 HB3 GLU A 21 4.793 0.858 -5.486 1.00 1.00 H new ATOM 0 HG2 GLU A 21 4.749 3.878 -5.526 1.00 1.00 H new ATOM 0 HG3 GLU A 21 4.028 3.046 -6.890 1.00 1.00 H new ATOM 366 N ILE A 22 5.886 1.199 -2.305 1.00 1.00 N ATOM 367 CA ILE A 22 5.867 0.123 -1.268 1.00 1.00 C ATOM 368 C ILE A 22 4.403 -0.214 -0.950 1.00 1.00 C ATOM 369 O ILE A 22 3.513 0.563 -1.258 1.00 1.00 O ATOM 370 CB ILE A 22 6.616 0.638 -0.027 1.00 1.00 C ATOM 371 CG1 ILE A 22 8.000 -0.012 0.034 1.00 1.00 C ATOM 372 CG2 ILE A 22 5.848 0.304 1.250 1.00 1.00 C ATOM 373 CD1 ILE A 22 8.800 0.343 -1.223 1.00 1.00 C ATOM 0 H ILE A 22 5.568 2.112 -1.979 1.00 1.00 H new ATOM 0 HA ILE A 22 6.360 -0.785 -1.616 1.00 1.00 H new ATOM 0 HB ILE A 22 6.711 1.721 -0.104 1.00 1.00 H new ATOM 0 HG12 ILE A 22 8.532 0.328 0.922 1.00 1.00 H new ATOM 0 HG13 ILE A 22 7.900 -1.094 0.118 1.00 1.00 H new ATOM 0 HG21 ILE A 22 6.398 0.678 2.114 1.00 1.00 H new ATOM 0 HG22 ILE A 22 4.864 0.772 1.216 1.00 1.00 H new ATOM 0 HG23 ILE A 22 5.733 -0.777 1.334 1.00 1.00 H new ATOM 0 HD11 ILE A 22 9.784 -0.123 -1.172 1.00 1.00 H new ATOM 0 HD12 ILE A 22 8.272 -0.020 -2.105 1.00 1.00 H new ATOM 0 HD13 ILE A 22 8.914 1.425 -1.288 1.00 1.00 H new ATOM 385 N LEU A 23 4.123 -1.353 -0.345 1.00 1.00 N ATOM 386 CA LEU A 23 2.666 -1.661 -0.050 1.00 1.00 C ATOM 387 C LEU A 23 2.513 -2.024 1.419 1.00 1.00 C ATOM 388 O LEU A 23 3.217 -2.871 1.904 1.00 1.00 O ATOM 389 CB LEU A 23 2.134 -2.777 -0.990 1.00 1.00 C ATOM 390 CG LEU A 23 2.724 -4.184 -0.716 1.00 1.00 C ATOM 391 CD1 LEU A 23 4.244 -4.138 -0.562 1.00 1.00 C ATOM 392 CD2 LEU A 23 2.087 -4.798 0.537 1.00 1.00 C ATOM 0 H LEU A 23 4.801 -2.057 -0.052 1.00 1.00 H new ATOM 0 HA LEU A 23 2.060 -0.776 -0.245 1.00 1.00 H new ATOM 0 HB2 LEU A 23 1.049 -2.827 -0.896 1.00 1.00 H new ATOM 0 HB3 LEU A 23 2.352 -2.500 -2.021 1.00 1.00 H new ATOM 0 HG LEU A 23 2.493 -4.810 -1.578 1.00 1.00 H new ATOM 0 HD11 LEU A 23 4.621 -5.143 -0.371 1.00 1.00 H new ATOM 0 HD12 LEU A 23 4.691 -3.751 -1.478 1.00 1.00 H new ATOM 0 HD13 LEU A 23 4.506 -3.488 0.273 1.00 1.00 H new ATOM 0 HD21 LEU A 23 2.513 -5.786 0.715 1.00 1.00 H new ATOM 0 HD22 LEU A 23 2.285 -4.158 1.397 1.00 1.00 H new ATOM 0 HD23 LEU A 23 1.011 -4.888 0.391 1.00 1.00 H new ATOM 404 N GLY A 24 1.655 -1.373 2.169 1.00 1.00 N ATOM 405 CA GLY A 24 1.587 -1.717 3.623 1.00 1.00 C ATOM 406 C GLY A 24 0.166 -1.702 4.174 1.00 1.00 C ATOM 407 O GLY A 24 -0.736 -1.101 3.622 1.00 1.00 O ATOM 0 H GLY A 24 1.019 -0.642 1.850 1.00 1.00 H new ATOM 0 HA2 GLY A 24 2.020 -2.705 3.777 1.00 1.00 H new ATOM 0 HA3 GLY A 24 2.197 -1.011 4.186 1.00 1.00 H new ATOM 411 N ILE A 25 -0.007 -2.338 5.308 1.00 1.00 N ATOM 412 CA ILE A 25 -1.334 -2.357 5.982 1.00 1.00 C ATOM 413 C ILE A 25 -1.295 -1.277 7.067 1.00 1.00 C ATOM 414 O ILE A 25 -0.333 -1.172 7.819 1.00 1.00 O ATOM 415 CB ILE A 25 -1.602 -3.732 6.618 1.00 1.00 C ATOM 416 CG1 ILE A 25 -0.377 -4.196 7.418 1.00 1.00 C ATOM 417 CG2 ILE A 25 -1.906 -4.751 5.519 1.00 1.00 C ATOM 418 CD1 ILE A 25 -0.802 -5.250 8.443 1.00 1.00 C ATOM 0 H ILE A 25 0.727 -2.850 5.797 1.00 1.00 H new ATOM 0 HA ILE A 25 -2.132 -2.168 5.263 1.00 1.00 H new ATOM 0 HB ILE A 25 -2.455 -3.649 7.292 1.00 1.00 H new ATOM 0 HG12 ILE A 25 0.374 -4.611 6.745 1.00 1.00 H new ATOM 0 HG13 ILE A 25 0.083 -3.347 7.924 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -2.096 -5.726 5.969 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -2.786 -4.432 4.960 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -1.053 -4.823 4.844 1.00 1.00 H new ATOM 0 HD11 ILE A 25 0.069 -5.578 9.010 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -1.537 -4.820 9.124 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -1.241 -6.103 7.927 1.00 1.00 H new ATOM 430 N ILE A 26 -2.303 -0.447 7.121 1.00 1.00 N ATOM 431 CA ILE A 26 -2.316 0.664 8.115 1.00 1.00 C ATOM 432 C ILE A 26 -3.189 0.330 9.328 1.00 1.00 C ATOM 433 O ILE A 26 -4.102 -0.483 9.270 1.00 1.00 O ATOM 434 CB ILE A 26 -2.827 1.936 7.428 1.00 1.00 C ATOM 435 CG1 ILE A 26 -2.013 3.132 7.912 1.00 1.00 C ATOM 436 CG2 ILE A 26 -4.315 2.169 7.726 1.00 1.00 C ATOM 437 CD1 ILE A 26 -1.351 3.805 6.709 1.00 1.00 C ATOM 0 H ILE A 26 -3.122 -0.492 6.515 1.00 1.00 H new ATOM 0 HA ILE A 26 -1.301 0.816 8.481 1.00 1.00 H new ATOM 0 HB ILE A 26 -2.712 1.817 6.351 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -2.658 3.841 8.432 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -1.256 2.808 8.626 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -4.648 3.078 7.225 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -4.896 1.321 7.363 1.00 1.00 H new ATOM 0 HG23 ILE A 26 -4.459 2.274 8.801 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -0.767 4.661 7.047 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -0.695 3.093 6.209 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -2.119 4.142 6.012 1.00 1.00 H new ATOM 449 N GLU A 27 -2.897 0.986 10.425 1.00 1.00 N ATOM 450 CA GLU A 27 -3.664 0.773 11.687 1.00 1.00 C ATOM 451 C GLU A 27 -3.863 2.119 12.407 1.00 1.00 C ATOM 452 O GLU A 27 -2.909 2.839 12.679 1.00 1.00 O ATOM 453 CB GLU A 27 -2.888 -0.183 12.599 1.00 1.00 C ATOM 454 CG GLU A 27 -3.066 -1.626 12.111 1.00 1.00 C ATOM 455 CD GLU A 27 -1.744 -2.147 11.531 1.00 1.00 C ATOM 456 OE1 GLU A 27 -0.867 -2.484 12.312 1.00 1.00 O ATOM 457 OE2 GLU A 27 -1.633 -2.205 10.317 1.00 1.00 O ATOM 0 H GLU A 27 -2.145 1.672 10.497 1.00 1.00 H new ATOM 0 HA GLU A 27 -4.637 0.344 11.450 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -1.831 0.081 12.603 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -3.243 -0.090 13.625 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -3.387 -2.261 12.936 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -3.848 -1.669 11.353 1.00 1.00 H new ATOM 464 N GLN A 28 -5.099 2.451 12.719 1.00 1.00 N ATOM 465 CA GLN A 28 -5.405 3.731 13.434 1.00 1.00 C ATOM 466 C GLN A 28 -6.333 3.428 14.618 1.00 1.00 C ATOM 467 O GLN A 28 -7.516 3.187 14.440 1.00 1.00 O ATOM 468 CB GLN A 28 -6.107 4.706 12.477 1.00 1.00 C ATOM 469 CG GLN A 28 -5.790 6.164 12.855 1.00 1.00 C ATOM 470 CD GLN A 28 -5.805 6.344 14.376 1.00 1.00 C ATOM 471 OE1 GLN A 28 -6.855 6.466 14.977 1.00 1.00 O ATOM 472 NE2 GLN A 28 -4.673 6.371 15.026 1.00 1.00 N ATOM 0 H GLN A 28 -5.916 1.880 12.504 1.00 1.00 H new ATOM 0 HA GLN A 28 -4.478 4.182 13.789 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -5.786 4.513 11.453 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -7.184 4.543 12.510 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -4.813 6.443 12.460 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -6.521 6.831 12.398 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -3.793 6.269 14.521 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -4.669 6.494 16.038 1.00 1.00 H new ATOM 481 N MET A 29 -5.812 3.441 15.821 1.00 1.00 N ATOM 482 CA MET A 29 -6.665 3.160 17.018 1.00 1.00 C ATOM 483 C MET A 29 -6.273 4.116 18.156 1.00 1.00 C ATOM 484 O MET A 29 -6.051 3.709 19.284 1.00 1.00 O ATOM 485 CB MET A 29 -6.469 1.699 17.452 1.00 1.00 C ATOM 486 CG MET A 29 -7.829 1.071 17.770 1.00 1.00 C ATOM 487 SD MET A 29 -8.748 0.797 16.232 1.00 1.00 S ATOM 488 CE MET A 29 -10.018 2.059 16.491 1.00 1.00 C ATOM 0 H MET A 29 -4.832 3.634 16.026 1.00 1.00 H new ATOM 0 HA MET A 29 -7.715 3.316 16.772 1.00 1.00 H new ATOM 0 HB2 MET A 29 -5.974 1.137 16.660 1.00 1.00 H new ATOM 0 HB3 MET A 29 -5.822 1.653 18.328 1.00 1.00 H new ATOM 0 HG2 MET A 29 -7.690 0.126 18.296 1.00 1.00 H new ATOM 0 HG3 MET A 29 -8.396 1.724 18.433 1.00 1.00 H new ATOM 0 HE1 MET A 29 -10.976 1.577 16.684 1.00 1.00 H new ATOM 0 HE2 MET A 29 -9.746 2.679 17.345 1.00 1.00 H new ATOM 0 HE3 MET A 29 -10.098 2.683 15.601 1.00 1.00 H new ATOM 498 N LEU A 30 -6.188 5.393 17.856 1.00 1.00 N ATOM 499 CA LEU A 30 -5.812 6.402 18.892 1.00 1.00 C ATOM 500 C LEU A 30 -6.658 7.669 18.700 1.00 1.00 C ATOM 501 O LEU A 30 -7.321 8.122 19.615 1.00 1.00 O ATOM 502 CB LEU A 30 -4.325 6.753 18.751 1.00 1.00 C ATOM 503 CG LEU A 30 -3.467 5.518 19.044 1.00 1.00 C ATOM 504 CD1 LEU A 30 -2.060 5.725 18.478 1.00 1.00 C ATOM 505 CD2 LEU A 30 -3.379 5.304 20.558 1.00 1.00 C ATOM 0 H LEU A 30 -6.365 5.779 16.929 1.00 1.00 H new ATOM 0 HA LEU A 30 -5.994 5.989 19.884 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -4.122 7.117 17.744 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.066 7.558 19.439 1.00 1.00 H new ATOM 0 HG LEU A 30 -3.921 4.644 18.578 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -1.451 4.846 18.687 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -2.120 5.877 17.400 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -1.606 6.600 18.943 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -2.769 4.425 20.766 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -2.926 6.179 21.023 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -4.380 5.155 20.963 1.00 1.00 H new ATOM 517 N GLY A 31 -6.636 8.240 17.516 1.00 1.00 N ATOM 518 CA GLY A 31 -7.433 9.475 17.248 1.00 1.00 C ATOM 519 C GLY A 31 -6.510 10.696 17.280 1.00 1.00 C ATOM 520 O GLY A 31 -6.540 11.477 18.214 1.00 1.00 O ATOM 0 H GLY A 31 -6.095 7.898 16.721 1.00 1.00 H new ATOM 0 HA2 GLY A 31 -7.922 9.401 16.277 1.00 1.00 H new ATOM 0 HA3 GLY A 31 -8.220 9.581 17.994 1.00 1.00 H new ATOM 524 N ALA A 32 -5.691 10.863 16.267 1.00 1.00 N ATOM 525 CA ALA A 32 -4.759 12.031 16.230 1.00 1.00 C ATOM 526 C ALA A 32 -4.695 12.605 14.807 1.00 1.00 C ATOM 527 O ALA A 32 -5.300 13.623 14.520 1.00 1.00 O ATOM 528 CB ALA A 32 -3.361 11.585 16.673 1.00 1.00 C ATOM 0 H ALA A 32 -5.630 10.238 15.463 1.00 1.00 H new ATOM 0 HA ALA A 32 -5.124 12.803 16.907 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -2.682 12.437 16.646 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -3.409 11.192 17.688 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -2.996 10.809 16.000 1.00 1.00 H new ATOM 534 N SER A 33 -3.966 11.963 13.919 1.00 1.00 N ATOM 535 CA SER A 33 -3.853 12.470 12.512 1.00 1.00 C ATOM 536 C SER A 33 -3.018 11.495 11.669 1.00 1.00 C ATOM 537 O SER A 33 -3.366 11.183 10.544 1.00 1.00 O ATOM 538 CB SER A 33 -3.173 13.844 12.516 1.00 1.00 C ATOM 539 OG SER A 33 -4.095 14.826 12.062 1.00 1.00 O ATOM 0 H SER A 33 -3.444 11.108 14.110 1.00 1.00 H new ATOM 0 HA SER A 33 -4.852 12.554 12.083 1.00 1.00 H new ATOM 0 HB2 SER A 33 -2.828 14.089 13.521 1.00 1.00 H new ATOM 0 HB3 SER A 33 -2.294 13.829 11.872 1.00 1.00 H new ATOM 0 HG SER A 33 -4.870 14.849 12.662 1.00 1.00 H new ATOM 545 N ARG A 34 -1.919 11.015 12.209 1.00 1.00 N ATOM 546 CA ARG A 34 -1.046 10.060 11.452 1.00 1.00 C ATOM 547 C ARG A 34 -1.337 8.617 11.903 1.00 1.00 C ATOM 548 O ARG A 34 -1.898 8.382 12.960 1.00 1.00 O ATOM 549 CB ARG A 34 0.430 10.398 11.712 1.00 1.00 C ATOM 550 CG ARG A 34 0.743 10.290 13.210 1.00 1.00 C ATOM 551 CD ARG A 34 1.088 11.674 13.766 1.00 1.00 C ATOM 552 NE ARG A 34 0.921 11.674 15.248 1.00 1.00 N ATOM 553 CZ ARG A 34 1.404 12.658 15.959 1.00 1.00 C ATOM 554 NH1 ARG A 34 2.677 12.682 16.262 1.00 1.00 N ATOM 555 NH2 ARG A 34 0.615 13.616 16.370 1.00 1.00 N ATOM 0 H ARG A 34 -1.589 11.246 13.146 1.00 1.00 H new ATOM 0 HA ARG A 34 -1.255 10.148 10.386 1.00 1.00 H new ATOM 0 HB2 ARG A 34 1.071 9.719 11.149 1.00 1.00 H new ATOM 0 HB3 ARG A 34 0.647 11.406 11.360 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -0.114 9.877 13.742 1.00 1.00 H new ATOM 0 HG3 ARG A 34 1.576 9.606 13.369 1.00 1.00 H new ATOM 0 HD2 ARG A 34 2.113 11.936 13.506 1.00 1.00 H new ATOM 0 HD3 ARG A 34 0.442 12.429 13.317 1.00 1.00 H new ATOM 0 HE ARG A 34 0.430 10.906 15.706 1.00 1.00 H new ATOM 0 HH11 ARG A 34 3.291 11.933 15.943 1.00 1.00 H new ATOM 0 HH12 ARG A 34 3.055 13.450 16.817 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -0.377 13.595 16.136 1.00 1.00 H new ATOM 0 HH22 ARG A 34 0.992 14.384 16.925 1.00 1.00 H new ATOM 569 N VAL A 35 -0.962 7.659 11.093 1.00 1.00 N ATOM 570 CA VAL A 35 -1.204 6.213 11.425 1.00 1.00 C ATOM 571 C VAL A 35 0.103 5.438 11.399 1.00 1.00 C ATOM 572 O VAL A 35 1.117 5.902 10.907 1.00 1.00 O ATOM 573 CB VAL A 35 -2.139 5.551 10.422 1.00 1.00 C ATOM 574 CG1 VAL A 35 -3.562 6.025 10.640 1.00 1.00 C ATOM 575 CG2 VAL A 35 -1.678 5.886 9.014 1.00 1.00 C ATOM 0 H VAL A 35 -0.491 7.816 10.202 1.00 1.00 H new ATOM 0 HA VAL A 35 -1.654 6.194 12.417 1.00 1.00 H new ATOM 0 HB VAL A 35 -2.115 4.470 10.561 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -4.220 5.544 9.917 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -3.881 5.766 11.649 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -3.609 7.106 10.511 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -2.344 5.415 8.291 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -1.696 6.967 8.873 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -0.663 5.518 8.866 1.00 1.00 H new ATOM 585 N ARG A 36 0.058 4.242 11.897 1.00 1.00 N ATOM 586 CA ARG A 36 1.280 3.364 11.890 1.00 1.00 C ATOM 587 C ARG A 36 1.068 2.256 10.858 1.00 1.00 C ATOM 588 O ARG A 36 0.015 1.639 10.824 1.00 1.00 O ATOM 589 CB ARG A 36 1.518 2.738 13.274 1.00 1.00 C ATOM 590 CG ARG A 36 0.185 2.483 13.987 1.00 1.00 C ATOM 591 CD ARG A 36 0.380 1.432 15.083 1.00 1.00 C ATOM 592 NE ARG A 36 -0.947 1.030 15.631 1.00 1.00 N ATOM 593 CZ ARG A 36 -1.181 1.122 16.914 1.00 1.00 C ATOM 594 NH1 ARG A 36 -1.531 2.269 17.436 1.00 1.00 N ATOM 595 NH2 ARG A 36 -1.068 0.064 17.674 1.00 1.00 N ATOM 0 H ARG A 36 -0.772 3.821 12.314 1.00 1.00 H new ATOM 0 HA ARG A 36 2.153 3.966 11.638 1.00 1.00 H new ATOM 0 HB2 ARG A 36 2.064 1.801 13.166 1.00 1.00 H new ATOM 0 HB3 ARG A 36 2.138 3.401 13.877 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -0.190 3.410 14.421 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -0.562 2.141 13.271 1.00 1.00 H new ATOM 0 HD2 ARG A 36 0.897 0.562 14.679 1.00 1.00 H new ATOM 0 HD3 ARG A 36 1.007 1.834 15.879 1.00 1.00 H new ATOM 0 HE ARG A 36 -1.673 0.683 15.004 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -1.622 3.093 16.842 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -1.713 2.339 18.437 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -0.798 -0.831 17.266 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -1.250 0.133 18.675 1.00 1.00 H new ATOM 609 N VAL A 37 2.033 2.005 9.994 1.00 1.00 N ATOM 610 CA VAL A 37 1.822 0.953 8.966 1.00 1.00 C ATOM 611 C VAL A 37 3.101 0.134 8.736 1.00 1.00 C ATOM 612 O VAL A 37 4.211 0.647 8.746 1.00 1.00 O ATOM 613 CB VAL A 37 1.356 1.611 7.642 1.00 1.00 C ATOM 614 CG1 VAL A 37 1.397 3.138 7.755 1.00 1.00 C ATOM 615 CG2 VAL A 37 2.259 1.185 6.484 1.00 1.00 C ATOM 0 H VAL A 37 2.936 2.478 9.964 1.00 1.00 H new ATOM 0 HA VAL A 37 1.052 0.269 9.322 1.00 1.00 H new ATOM 0 HB VAL A 37 0.334 1.284 7.452 1.00 1.00 H new ATOM 0 HG11 VAL A 37 1.066 3.581 6.816 1.00 1.00 H new ATOM 0 HG12 VAL A 37 0.738 3.461 8.561 1.00 1.00 H new ATOM 0 HG13 VAL A 37 2.416 3.460 7.969 1.00 1.00 H new ATOM 0 HG21 VAL A 37 1.916 1.657 5.563 1.00 1.00 H new ATOM 0 HG22 VAL A 37 3.284 1.493 6.690 1.00 1.00 H new ATOM 0 HG23 VAL A 37 2.221 0.101 6.373 1.00 1.00 H new ATOM 625 N ARG A 38 2.917 -1.127 8.467 1.00 1.00 N ATOM 626 CA ARG A 38 4.067 -2.038 8.153 1.00 1.00 C ATOM 627 C ARG A 38 3.922 -2.390 6.673 1.00 1.00 C ATOM 628 O ARG A 38 2.810 -2.530 6.189 1.00 1.00 O ATOM 629 CB ARG A 38 4.014 -3.314 9.011 1.00 1.00 C ATOM 630 CG ARG A 38 2.559 -3.736 9.260 1.00 1.00 C ATOM 631 CD ARG A 38 2.530 -4.980 10.151 1.00 1.00 C ATOM 632 NE ARG A 38 2.616 -4.570 11.582 1.00 1.00 N ATOM 633 CZ ARG A 38 3.772 -4.557 12.193 1.00 1.00 C ATOM 634 NH1 ARG A 38 4.288 -5.674 12.640 1.00 1.00 N ATOM 635 NH2 ARG A 38 4.410 -3.428 12.355 1.00 1.00 N ATOM 0 H ARG A 38 2.003 -1.579 8.450 1.00 1.00 H new ATOM 0 HA ARG A 38 5.021 -1.556 8.368 1.00 1.00 H new ATOM 0 HB2 ARG A 38 4.551 -4.119 8.509 1.00 1.00 H new ATOM 0 HB3 ARG A 38 4.516 -3.140 9.963 1.00 1.00 H new ATOM 0 HG2 ARG A 38 2.010 -2.923 9.736 1.00 1.00 H new ATOM 0 HG3 ARG A 38 2.063 -3.944 8.312 1.00 1.00 H new ATOM 0 HD2 ARG A 38 1.613 -5.543 9.978 1.00 1.00 H new ATOM 0 HD3 ARG A 38 3.361 -5.639 9.900 1.00 1.00 H new ATOM 0 HE ARG A 38 1.771 -4.299 12.085 1.00 1.00 H new ATOM 0 HH11 ARG A 38 3.788 -6.554 12.512 1.00 1.00 H new ATOM 0 HH12 ARG A 38 5.190 -5.664 13.117 1.00 1.00 H new ATOM 0 HH21 ARG A 38 4.006 -2.559 12.005 1.00 1.00 H new ATOM 0 HH22 ARG A 38 5.312 -3.416 12.831 1.00 1.00 H new ATOM 649 N CYS A 39 4.994 -2.479 5.923 1.00 1.00 N ATOM 650 CA CYS A 39 4.817 -2.747 4.471 1.00 1.00 C ATOM 651 C CYS A 39 5.817 -3.760 3.921 1.00 1.00 C ATOM 652 O CYS A 39 6.919 -3.936 4.418 1.00 1.00 O ATOM 653 CB CYS A 39 5.001 -1.428 3.709 1.00 1.00 C ATOM 654 SG CYS A 39 4.401 -0.044 4.708 1.00 1.00 S ATOM 0 H CYS A 39 5.956 -2.380 6.246 1.00 1.00 H new ATOM 0 HA CYS A 39 3.820 -3.166 4.338 1.00 1.00 H new ATOM 0 HB2 CYS A 39 6.054 -1.283 3.467 1.00 1.00 H new ATOM 0 HB3 CYS A 39 4.459 -1.466 2.764 1.00 1.00 H new ATOM 0 HG CYS A 39 5.199 0.141 5.717 1.00 1.00 H new ATOM 660 N LEU A 40 5.431 -4.360 2.828 1.00 1.00 N ATOM 661 CA LEU A 40 6.281 -5.304 2.112 1.00 1.00 C ATOM 662 C LEU A 40 7.009 -4.498 1.044 1.00 1.00 C ATOM 663 O LEU A 40 6.846 -3.263 0.935 1.00 1.00 O ATOM 664 CB LEU A 40 5.427 -6.391 1.468 1.00 1.00 C ATOM 665 CG LEU A 40 6.060 -7.772 1.672 1.00 1.00 C ATOM 666 CD1 LEU A 40 6.578 -7.921 3.108 1.00 1.00 C ATOM 667 CD2 LEU A 40 4.995 -8.832 1.409 1.00 1.00 C ATOM 0 H LEU A 40 4.517 -4.215 2.398 1.00 1.00 H new ATOM 0 HA LEU A 40 6.986 -5.796 2.782 1.00 1.00 H new ATOM 0 HB2 LEU A 40 4.426 -6.377 1.900 1.00 1.00 H new ATOM 0 HB3 LEU A 40 5.317 -6.190 0.402 1.00 1.00 H new ATOM 0 HG LEU A 40 6.900 -7.890 0.987 1.00 1.00 H new ATOM 0 HD11 LEU A 40 7.024 -8.908 3.233 1.00 1.00 H new ATOM 0 HD12 LEU A 40 7.329 -7.156 3.305 1.00 1.00 H new ATOM 0 HD13 LEU A 40 5.750 -7.805 3.807 1.00 1.00 H new ATOM 0 HD21 LEU A 40 5.426 -9.823 1.549 1.00 1.00 H new ATOM 0 HD22 LEU A 40 4.166 -8.695 2.104 1.00 1.00 H new ATOM 0 HD23 LEU A 40 4.631 -8.736 0.386 1.00 1.00 H new ATOM 679 N ASP A 41 7.856 -5.178 0.323 1.00 1.00 N ATOM 680 CA ASP A 41 8.765 -4.515 -0.638 1.00 1.00 C ATOM 681 C ASP A 41 9.873 -3.894 0.249 1.00 1.00 C ATOM 682 O ASP A 41 10.599 -3.000 -0.147 1.00 1.00 O ATOM 683 CB ASP A 41 8.030 -3.429 -1.442 1.00 1.00 C ATOM 684 CG ASP A 41 8.722 -3.232 -2.795 1.00 1.00 C ATOM 685 OD1 ASP A 41 8.456 -4.015 -3.694 1.00 1.00 O ATOM 686 OD2 ASP A 41 9.504 -2.302 -2.912 1.00 1.00 O ATOM 0 H ASP A 41 7.954 -6.192 0.365 1.00 1.00 H new ATOM 0 HA ASP A 41 9.163 -5.211 -1.377 1.00 1.00 H new ATOM 0 HB2 ASP A 41 6.989 -3.716 -1.593 1.00 1.00 H new ATOM 0 HB3 ASP A 41 8.024 -2.492 -0.885 1.00 1.00 H new ATOM 691 N GLY A 42 10.026 -4.467 1.452 1.00 1.00 N ATOM 692 CA GLY A 42 11.094 -4.067 2.425 1.00 1.00 C ATOM 693 C GLY A 42 10.896 -2.670 3.030 1.00 1.00 C ATOM 694 O GLY A 42 11.815 -1.872 2.989 1.00 1.00 O ATOM 0 H GLY A 42 9.425 -5.218 1.791 1.00 1.00 H new ATOM 0 HA2 GLY A 42 11.129 -4.799 3.232 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.060 -4.100 1.922 1.00 1.00 H new ATOM 698 N LYS A 43 9.754 -2.349 3.619 1.00 1.00 N ATOM 699 CA LYS A 43 9.635 -0.984 4.222 1.00 1.00 C ATOM 700 C LYS A 43 8.783 -0.986 5.497 1.00 1.00 C ATOM 701 O LYS A 43 7.877 -1.781 5.667 1.00 1.00 O ATOM 702 CB LYS A 43 9.031 -0.018 3.206 1.00 1.00 C ATOM 703 CG LYS A 43 10.064 1.059 2.840 1.00 1.00 C ATOM 704 CD LYS A 43 10.778 0.685 1.537 1.00 1.00 C ATOM 705 CE LYS A 43 12.117 1.423 1.455 1.00 1.00 C ATOM 706 NZ LYS A 43 13.229 0.490 1.796 1.00 1.00 N ATOM 0 H LYS A 43 8.935 -2.951 3.703 1.00 1.00 H new ATOM 0 HA LYS A 43 10.640 -0.661 4.495 1.00 1.00 H new ATOM 0 HB2 LYS A 43 8.724 -0.560 2.312 1.00 1.00 H new ATOM 0 HB3 LYS A 43 8.136 0.448 3.619 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.570 2.024 2.729 1.00 1.00 H new ATOM 0 HG3 LYS A 43 10.792 1.164 3.645 1.00 1.00 H new ATOM 0 HD2 LYS A 43 10.942 -0.392 1.496 1.00 1.00 H new ATOM 0 HD3 LYS A 43 10.155 0.945 0.681 1.00 1.00 H new ATOM 0 HE2 LYS A 43 12.261 1.824 0.452 1.00 1.00 H new ATOM 0 HE3 LYS A 43 12.118 2.271 2.140 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 13.881 0.955 2.460 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 12.840 -0.368 2.236 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 13.743 0.232 0.930 1.00 1.00 H new ATOM 720 N THR A 44 9.049 -0.039 6.354 1.00 1.00 N ATOM 721 CA THR A 44 8.259 0.145 7.617 1.00 1.00 C ATOM 722 C THR A 44 8.113 1.658 7.781 1.00 1.00 C ATOM 723 O THR A 44 9.103 2.380 7.861 1.00 1.00 O ATOM 724 CB THR A 44 8.989 -0.458 8.826 1.00 1.00 C ATOM 725 OG1 THR A 44 9.804 -1.550 8.414 1.00 1.00 O ATOM 726 CG2 THR A 44 7.956 -0.945 9.840 1.00 1.00 C ATOM 0 H THR A 44 9.803 0.637 6.232 1.00 1.00 H new ATOM 0 HA THR A 44 7.295 -0.360 7.560 1.00 1.00 H new ATOM 0 HB THR A 44 9.625 0.303 9.279 1.00 1.00 H new ATOM 0 HG1 THR A 44 10.266 -1.926 9.193 1.00 1.00 H new ATOM 0 HG21 THR A 44 8.467 -1.375 10.702 1.00 1.00 H new ATOM 0 HG22 THR A 44 7.341 -0.106 10.164 1.00 1.00 H new ATOM 0 HG23 THR A 44 7.322 -1.703 9.379 1.00 1.00 H new ATOM 734 N ARG A 45 6.902 2.164 7.743 1.00 1.00 N ATOM 735 CA ARG A 45 6.743 3.641 7.798 1.00 1.00 C ATOM 736 C ARG A 45 5.463 4.084 8.490 1.00 1.00 C ATOM 737 O ARG A 45 4.506 3.343 8.618 1.00 1.00 O ATOM 738 CB ARG A 45 6.739 4.184 6.364 1.00 1.00 C ATOM 739 CG ARG A 45 5.927 3.254 5.449 1.00 1.00 C ATOM 740 CD ARG A 45 6.855 2.231 4.782 1.00 1.00 C ATOM 741 NE ARG A 45 8.012 2.932 4.151 1.00 1.00 N ATOM 742 CZ ARG A 45 7.805 3.837 3.233 1.00 1.00 C ATOM 743 NH1 ARG A 45 7.604 3.479 1.992 1.00 1.00 N ATOM 744 NH2 ARG A 45 7.809 5.101 3.561 1.00 1.00 N ATOM 0 H ARG A 45 6.038 1.626 7.678 1.00 1.00 H new ATOM 0 HA ARG A 45 7.575 4.034 8.382 1.00 1.00 H new ATOM 0 HB2 ARG A 45 6.312 5.187 6.348 1.00 1.00 H new ATOM 0 HB3 ARG A 45 7.761 4.267 5.996 1.00 1.00 H new ATOM 0 HG2 ARG A 45 5.161 2.739 6.028 1.00 1.00 H new ATOM 0 HG3 ARG A 45 5.411 3.839 4.688 1.00 1.00 H new ATOM 0 HD2 ARG A 45 7.212 1.514 5.521 1.00 1.00 H new ATOM 0 HD3 ARG A 45 6.306 1.666 4.029 1.00 1.00 H new ATOM 0 HE ARG A 45 8.964 2.704 4.437 1.00 1.00 H new ATOM 0 HH11 ARG A 45 7.609 2.491 1.739 1.00 1.00 H new ATOM 0 HH12 ARG A 45 7.442 4.188 1.277 1.00 1.00 H new ATOM 0 HH21 ARG A 45 7.973 5.376 4.529 1.00 1.00 H new ATOM 0 HH22 ARG A 45 7.648 5.813 2.849 1.00 1.00 H new ATOM 758 N LEU A 46 5.430 5.341 8.851 1.00 1.00 N ATOM 759 CA LEU A 46 4.198 5.931 9.448 1.00 1.00 C ATOM 760 C LEU A 46 3.491 6.625 8.278 1.00 1.00 C ATOM 761 O LEU A 46 4.122 7.341 7.517 1.00 1.00 O ATOM 762 CB LEU A 46 4.558 6.963 10.527 1.00 1.00 C ATOM 763 CG LEU A 46 4.980 6.272 11.833 1.00 1.00 C ATOM 764 CD1 LEU A 46 3.818 5.443 12.384 1.00 1.00 C ATOM 765 CD2 LEU A 46 6.185 5.357 11.577 1.00 1.00 C ATOM 0 H LEU A 46 6.212 5.989 8.756 1.00 1.00 H new ATOM 0 HA LEU A 46 3.576 5.175 9.926 1.00 1.00 H new ATOM 0 HB2 LEU A 46 5.368 7.599 10.170 1.00 1.00 H new ATOM 0 HB3 LEU A 46 3.702 7.611 10.715 1.00 1.00 H new ATOM 0 HG LEU A 46 5.256 7.035 12.561 1.00 1.00 H new ATOM 0 HD11 LEU A 46 4.125 4.956 13.310 1.00 1.00 H new ATOM 0 HD12 LEU A 46 2.967 6.095 12.582 1.00 1.00 H new ATOM 0 HD13 LEU A 46 3.533 4.686 11.654 1.00 1.00 H new ATOM 0 HD21 LEU A 46 6.477 4.871 12.508 1.00 1.00 H new ATOM 0 HD22 LEU A 46 5.916 4.599 10.841 1.00 1.00 H new ATOM 0 HD23 LEU A 46 7.018 5.950 11.200 1.00 1.00 H new ATOM 777 N GLY A 47 2.222 6.387 8.080 1.00 1.00 N ATOM 778 CA GLY A 47 1.523 6.987 6.902 1.00 1.00 C ATOM 779 C GLY A 47 0.816 8.288 7.262 1.00 1.00 C ATOM 780 O GLY A 47 0.362 8.487 8.375 1.00 1.00 O ATOM 0 H GLY A 47 1.639 5.805 8.681 1.00 1.00 H new ATOM 0 HA2 GLY A 47 2.246 7.174 6.108 1.00 1.00 H new ATOM 0 HA3 GLY A 47 0.796 6.275 6.510 1.00 1.00 H new ATOM 784 N ARG A 48 0.731 9.180 6.298 1.00 1.00 N ATOM 785 CA ARG A 48 0.067 10.494 6.521 1.00 1.00 C ATOM 786 C ARG A 48 -1.020 10.718 5.463 1.00 1.00 C ATOM 787 O ARG A 48 -0.875 10.341 4.312 1.00 1.00 O ATOM 788 CB ARG A 48 1.105 11.623 6.448 1.00 1.00 C ATOM 789 CG ARG A 48 1.879 11.551 5.126 1.00 1.00 C ATOM 790 CD ARG A 48 1.978 12.948 4.510 1.00 1.00 C ATOM 791 NE ARG A 48 0.658 13.342 3.937 1.00 1.00 N ATOM 792 CZ ARG A 48 0.359 14.606 3.799 1.00 1.00 C ATOM 793 NH1 ARG A 48 -0.086 15.288 4.823 1.00 1.00 N ATOM 794 NH2 ARG A 48 0.511 15.191 2.640 1.00 1.00 N ATOM 0 H ARG A 48 1.101 9.044 5.357 1.00 1.00 H new ATOM 0 HA ARG A 48 -0.393 10.495 7.509 1.00 1.00 H new ATOM 0 HB2 ARG A 48 0.608 12.589 6.534 1.00 1.00 H new ATOM 0 HB3 ARG A 48 1.797 11.545 7.287 1.00 1.00 H new ATOM 0 HG2 ARG A 48 2.877 11.148 5.299 1.00 1.00 H new ATOM 0 HG3 ARG A 48 1.377 10.873 4.436 1.00 1.00 H new ATOM 0 HD2 ARG A 48 2.286 13.669 5.268 1.00 1.00 H new ATOM 0 HD3 ARG A 48 2.741 12.959 3.731 1.00 1.00 H new ATOM 0 HE ARG A 48 -0.010 12.625 3.653 1.00 1.00 H new ATOM 0 HH11 ARG A 48 -0.199 14.833 5.729 1.00 1.00 H new ATOM 0 HH12 ARG A 48 -0.320 16.275 4.716 1.00 1.00 H new ATOM 0 HH21 ARG A 48 0.863 14.660 1.843 1.00 1.00 H new ATOM 0 HH22 ARG A 48 0.277 16.178 2.532 1.00 1.00 H new ATOM 808 N ILE A 49 -2.105 11.337 5.856 1.00 1.00 N ATOM 809 CA ILE A 49 -3.221 11.607 4.900 1.00 1.00 C ATOM 810 C ILE A 49 -3.158 13.084 4.457 1.00 1.00 C ATOM 811 O ILE A 49 -2.589 13.909 5.151 1.00 1.00 O ATOM 812 CB ILE A 49 -4.559 11.293 5.606 1.00 1.00 C ATOM 813 CG1 ILE A 49 -5.297 10.191 4.840 1.00 1.00 C ATOM 814 CG2 ILE A 49 -5.451 12.538 5.679 1.00 1.00 C ATOM 815 CD1 ILE A 49 -4.750 8.824 5.250 1.00 1.00 C ATOM 0 H ILE A 49 -2.266 11.669 6.807 1.00 1.00 H new ATOM 0 HA ILE A 49 -3.135 10.979 4.013 1.00 1.00 H new ATOM 0 HB ILE A 49 -4.338 10.963 6.621 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -6.366 10.243 5.048 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -5.174 10.336 3.767 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -6.386 12.287 6.181 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -4.938 13.321 6.238 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -5.664 12.892 4.671 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -5.277 8.042 4.703 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -3.686 8.774 5.019 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -4.896 8.680 6.320 1.00 1.00 H new ATOM 827 N PRO A 50 -3.748 13.375 3.315 1.00 1.00 N ATOM 828 CA PRO A 50 -3.774 14.744 2.760 1.00 1.00 C ATOM 829 C PRO A 50 -4.798 15.623 3.500 1.00 1.00 C ATOM 830 O PRO A 50 -4.476 16.715 3.934 1.00 1.00 O ATOM 831 CB PRO A 50 -4.173 14.532 1.296 1.00 1.00 C ATOM 832 CG PRO A 50 -4.890 13.164 1.232 1.00 1.00 C ATOM 833 CD PRO A 50 -4.442 12.372 2.476 1.00 1.00 C ATOM 0 HA PRO A 50 -2.821 15.262 2.864 1.00 1.00 H new ATOM 0 HB2 PRO A 50 -4.830 15.331 0.953 1.00 1.00 H new ATOM 0 HB3 PRO A 50 -3.296 14.541 0.649 1.00 1.00 H new ATOM 0 HG2 PRO A 50 -5.972 13.294 1.225 1.00 1.00 H new ATOM 0 HG3 PRO A 50 -4.627 12.631 0.318 1.00 1.00 H new ATOM 0 HD2 PRO A 50 -5.294 11.936 2.999 1.00 1.00 H new ATOM 0 HD3 PRO A 50 -3.778 11.550 2.207 1.00 1.00 H new ATOM 841 N GLY A 51 -6.021 15.160 3.648 1.00 1.00 N ATOM 842 CA GLY A 51 -7.054 15.975 4.361 1.00 1.00 C ATOM 843 C GLY A 51 -8.439 15.345 4.179 1.00 1.00 C ATOM 844 O GLY A 51 -9.056 14.908 5.134 1.00 1.00 O ATOM 0 H GLY A 51 -6.344 14.255 3.306 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -6.811 16.037 5.422 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -7.056 16.994 3.974 1.00 1.00 H new ATOM 848 N ARG A 52 -8.930 15.298 2.960 1.00 1.00 N ATOM 849 CA ARG A 52 -10.280 14.699 2.702 1.00 1.00 C ATOM 850 C ARG A 52 -10.275 13.216 3.098 1.00 1.00 C ATOM 851 O ARG A 52 -11.259 12.700 3.599 1.00 1.00 O ATOM 852 CB ARG A 52 -10.626 14.825 1.213 1.00 1.00 C ATOM 853 CG ARG A 52 -11.719 15.881 1.025 1.00 1.00 C ATOM 854 CD ARG A 52 -13.083 15.284 1.390 1.00 1.00 C ATOM 855 NE ARG A 52 -13.602 15.943 2.623 1.00 1.00 N ATOM 856 CZ ARG A 52 -14.481 16.908 2.530 1.00 1.00 C ATOM 857 NH1 ARG A 52 -14.083 18.140 2.353 1.00 1.00 N ATOM 858 NH2 ARG A 52 -15.759 16.636 2.614 1.00 1.00 N ATOM 0 H ARG A 52 -8.451 15.650 2.131 1.00 1.00 H new ATOM 0 HA ARG A 52 -11.024 15.231 3.295 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -9.738 15.102 0.645 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -10.965 13.864 0.826 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -11.512 16.748 1.652 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -11.728 16.229 -0.008 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -13.785 15.424 0.568 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -12.990 14.210 1.551 1.00 1.00 H new ATOM 0 HE ARG A 52 -13.272 15.641 3.540 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -13.087 18.350 2.287 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -14.768 18.892 2.281 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -16.068 15.674 2.752 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -16.446 17.387 2.542 1.00 1.00 H new ATOM 872 N LEU A 53 -9.173 12.534 2.880 1.00 1.00 N ATOM 873 CA LEU A 53 -9.086 11.086 3.241 1.00 1.00 C ATOM 874 C LEU A 53 -9.194 10.920 4.764 1.00 1.00 C ATOM 875 O LEU A 53 -9.756 9.956 5.240 1.00 1.00 O ATOM 876 CB LEU A 53 -7.750 10.515 2.755 1.00 1.00 C ATOM 877 CG LEU A 53 -7.936 9.871 1.378 1.00 1.00 C ATOM 878 CD1 LEU A 53 -7.949 10.958 0.300 1.00 1.00 C ATOM 879 CD2 LEU A 53 -6.780 8.904 1.108 1.00 1.00 C ATOM 0 H LEU A 53 -8.327 12.924 2.465 1.00 1.00 H new ATOM 0 HA LEU A 53 -9.905 10.548 2.764 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -7.003 11.307 2.699 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -7.379 9.777 3.466 1.00 1.00 H new ATOM 0 HG LEU A 53 -8.881 9.328 1.358 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -8.081 10.498 -0.679 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -8.770 11.649 0.490 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -7.005 11.502 0.320 1.00 1.00 H new ATOM 0 HD21 LEU A 53 -6.911 8.445 0.128 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -5.837 9.450 1.130 1.00 1.00 H new ATOM 0 HD23 LEU A 53 -6.768 8.128 1.874 1.00 1.00 H new ATOM 891 N LYS A 54 -8.662 11.852 5.527 1.00 1.00 N ATOM 892 CA LYS A 54 -8.732 11.754 7.024 1.00 1.00 C ATOM 893 C LYS A 54 -10.194 11.637 7.484 1.00 1.00 C ATOM 894 O LYS A 54 -10.486 10.992 8.474 1.00 1.00 O ATOM 895 CB LYS A 54 -8.105 13.005 7.652 1.00 1.00 C ATOM 896 CG LYS A 54 -7.087 12.592 8.719 1.00 1.00 C ATOM 897 CD LYS A 54 -7.761 12.564 10.095 1.00 1.00 C ATOM 898 CE LYS A 54 -7.902 11.115 10.572 1.00 1.00 C ATOM 899 NZ LYS A 54 -6.735 10.754 11.429 1.00 1.00 N ATOM 0 H LYS A 54 -8.181 12.679 5.174 1.00 1.00 H new ATOM 0 HA LYS A 54 -8.185 10.866 7.342 1.00 1.00 H new ATOM 0 HB2 LYS A 54 -7.617 13.604 6.883 1.00 1.00 H new ATOM 0 HB3 LYS A 54 -8.881 13.628 8.097 1.00 1.00 H new ATOM 0 HG2 LYS A 54 -6.678 11.609 8.484 1.00 1.00 H new ATOM 0 HG3 LYS A 54 -6.251 13.291 8.727 1.00 1.00 H new ATOM 0 HD2 LYS A 54 -7.172 13.137 10.811 1.00 1.00 H new ATOM 0 HD3 LYS A 54 -8.742 13.036 10.040 1.00 1.00 H new ATOM 0 HE2 LYS A 54 -8.829 10.995 11.133 1.00 1.00 H new ATOM 0 HE3 LYS A 54 -7.958 10.443 9.715 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 -6.832 9.770 11.752 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 -5.857 10.853 10.880 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 -6.701 11.387 12.253 1.00 1.00 H new ATOM 913 N ASN A 55 -11.110 12.259 6.775 1.00 1.00 N ATOM 914 CA ASN A 55 -12.553 12.191 7.169 1.00 1.00 C ATOM 915 C ASN A 55 -13.199 10.910 6.615 1.00 1.00 C ATOM 916 O ASN A 55 -14.143 10.394 7.185 1.00 1.00 O ATOM 917 CB ASN A 55 -13.289 13.413 6.606 1.00 1.00 C ATOM 918 CG ASN A 55 -12.804 14.680 7.316 1.00 1.00 C ATOM 919 OD1 ASN A 55 -11.786 15.240 6.960 1.00 1.00 O ATOM 920 ND2 ASN A 55 -13.497 15.162 8.314 1.00 1.00 N ATOM 0 H ASN A 55 -10.918 12.811 5.939 1.00 1.00 H new ATOM 0 HA ASN A 55 -12.623 12.181 8.257 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -13.111 13.495 5.534 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -14.364 13.297 6.743 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -13.183 16.006 8.792 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -14.352 14.694 8.615 1.00 1.00 H new ATOM 927 N ARG A 56 -12.708 10.403 5.504 1.00 1.00 N ATOM 928 CA ARG A 56 -13.302 9.166 4.903 1.00 1.00 C ATOM 929 C ARG A 56 -12.672 7.904 5.515 1.00 1.00 C ATOM 930 O ARG A 56 -13.336 6.896 5.672 1.00 1.00 O ATOM 931 CB ARG A 56 -13.057 9.173 3.391 1.00 1.00 C ATOM 932 CG ARG A 56 -14.396 9.257 2.653 1.00 1.00 C ATOM 933 CD ARG A 56 -14.646 10.698 2.199 1.00 1.00 C ATOM 934 NE ARG A 56 -13.803 10.998 1.004 1.00 1.00 N ATOM 935 CZ ARG A 56 -14.237 10.708 -0.194 1.00 1.00 C ATOM 936 NH1 ARG A 56 -14.929 11.590 -0.869 1.00 1.00 N ATOM 937 NH2 ARG A 56 -13.980 9.537 -0.716 1.00 1.00 N ATOM 0 H ARG A 56 -11.920 10.795 4.989 1.00 1.00 H new ATOM 0 HA ARG A 56 -14.372 9.155 5.111 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -12.427 10.020 3.119 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -12.523 8.270 3.095 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -14.389 8.590 1.791 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -15.204 8.926 3.306 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -15.700 10.837 1.958 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -14.410 11.391 3.007 1.00 1.00 H new ATOM 0 HE ARG A 56 -12.887 11.430 1.123 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -15.129 12.503 -0.460 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -15.268 11.365 -1.804 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -13.441 8.850 -0.188 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -14.319 9.310 -1.651 1.00 1.00 H new ATOM 951 N ILE A 57 -11.398 7.946 5.844 1.00 1.00 N ATOM 952 CA ILE A 57 -10.718 6.741 6.431 1.00 1.00 C ATOM 953 C ILE A 57 -11.485 6.239 7.663 1.00 1.00 C ATOM 954 O ILE A 57 -11.848 7.006 8.540 1.00 1.00 O ATOM 955 CB ILE A 57 -9.274 7.084 6.836 1.00 1.00 C ATOM 956 CG1 ILE A 57 -9.261 8.307 7.763 1.00 1.00 C ATOM 957 CG2 ILE A 57 -8.441 7.381 5.587 1.00 1.00 C ATOM 958 CD1 ILE A 57 -8.824 7.883 9.168 1.00 1.00 C ATOM 0 H ILE A 57 -10.799 8.764 5.731 1.00 1.00 H new ATOM 0 HA ILE A 57 -10.703 5.958 5.673 1.00 1.00 H new ATOM 0 HB ILE A 57 -8.846 6.232 7.364 1.00 1.00 H new ATOM 0 HG12 ILE A 57 -8.581 9.064 7.373 1.00 1.00 H new ATOM 0 HG13 ILE A 57 -10.253 8.758 7.800 1.00 1.00 H new ATOM 0 HG21 ILE A 57 -7.419 7.623 5.880 1.00 1.00 H new ATOM 0 HG22 ILE A 57 -8.434 6.506 4.938 1.00 1.00 H new ATOM 0 HG23 ILE A 57 -8.875 8.226 5.053 1.00 1.00 H new ATOM 0 HD11 ILE A 57 -8.815 8.753 9.824 1.00 1.00 H new ATOM 0 HD12 ILE A 57 -9.521 7.141 9.558 1.00 1.00 H new ATOM 0 HD13 ILE A 57 -7.824 7.452 9.123 1.00 1.00 H new ATOM 970 N TRP A 58 -11.726 4.952 7.726 1.00 1.00 N ATOM 971 CA TRP A 58 -12.459 4.368 8.888 1.00 1.00 C ATOM 972 C TRP A 58 -11.870 2.985 9.209 1.00 1.00 C ATOM 973 O TRP A 58 -12.550 1.973 9.158 1.00 1.00 O ATOM 974 CB TRP A 58 -13.950 4.247 8.546 1.00 1.00 C ATOM 975 CG TRP A 58 -14.746 4.225 9.811 1.00 1.00 C ATOM 976 CD1 TRP A 58 -15.222 3.108 10.409 1.00 1.00 C ATOM 977 CD2 TRP A 58 -15.163 5.345 10.646 1.00 1.00 C ATOM 978 NE1 TRP A 58 -15.906 3.471 11.555 1.00 1.00 N ATOM 979 CE2 TRP A 58 -15.898 4.839 11.744 1.00 1.00 C ATOM 980 CE3 TRP A 58 -14.977 6.736 10.557 1.00 1.00 C ATOM 981 CZ2 TRP A 58 -16.429 5.683 12.720 1.00 1.00 C ATOM 982 CZ3 TRP A 58 -15.511 7.589 11.537 1.00 1.00 C ATOM 983 CH2 TRP A 58 -16.236 7.063 12.616 1.00 1.00 C ATOM 0 H TRP A 58 -11.443 4.277 7.015 1.00 1.00 H new ATOM 0 HA TRP A 58 -12.352 5.014 9.759 1.00 1.00 H new ATOM 0 HB2 TRP A 58 -14.261 5.085 7.922 1.00 1.00 H new ATOM 0 HB3 TRP A 58 -14.131 3.338 7.973 1.00 1.00 H new ATOM 0 HD1 TRP A 58 -15.089 2.098 10.050 1.00 1.00 H new ATOM 0 HE1 TRP A 58 -16.361 2.809 12.184 1.00 1.00 H new ATOM 0 HE3 TRP A 58 -14.420 7.151 9.730 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 -16.985 5.273 13.550 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 -15.362 8.656 11.459 1.00 1.00 H new ATOM 0 HH2 TRP A 58 -16.645 7.724 13.366 1.00 1.00 H new ATOM 994 N VAL A 59 -10.600 2.943 9.542 1.00 1.00 N ATOM 995 CA VAL A 59 -9.941 1.639 9.872 1.00 1.00 C ATOM 996 C VAL A 59 -10.402 1.173 11.261 1.00 1.00 C ATOM 997 O VAL A 59 -10.772 1.975 12.102 1.00 1.00 O ATOM 998 CB VAL A 59 -8.414 1.808 9.856 1.00 1.00 C ATOM 999 CG1 VAL A 59 -7.978 2.442 8.531 1.00 1.00 C ATOM 1000 CG2 VAL A 59 -7.975 2.709 11.014 1.00 1.00 C ATOM 0 H VAL A 59 -9.991 3.759 9.599 1.00 1.00 H new ATOM 0 HA VAL A 59 -10.221 0.892 9.129 1.00 1.00 H new ATOM 0 HB VAL A 59 -7.950 0.828 9.964 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -6.894 2.560 8.523 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -8.279 1.799 7.704 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -8.450 3.418 8.422 1.00 1.00 H new ATOM 0 HG21 VAL A 59 -6.891 2.823 10.995 1.00 1.00 H new ATOM 0 HG22 VAL A 59 -8.445 3.687 10.912 1.00 1.00 H new ATOM 0 HG23 VAL A 59 -8.276 2.258 11.960 1.00 1.00 H new ATOM 1010 N ARG A 60 -10.392 -0.117 11.504 1.00 1.00 N ATOM 1011 CA ARG A 60 -10.840 -0.634 12.833 1.00 1.00 C ATOM 1012 C ARG A 60 -9.958 -1.805 13.283 1.00 1.00 C ATOM 1013 O ARG A 60 -9.484 -1.827 14.405 1.00 1.00 O ATOM 1014 CB ARG A 60 -12.298 -1.096 12.731 1.00 1.00 C ATOM 1015 CG ARG A 60 -13.016 -0.844 14.061 1.00 1.00 C ATOM 1016 CD ARG A 60 -13.148 0.664 14.298 1.00 1.00 C ATOM 1017 NE ARG A 60 -14.305 0.930 15.201 1.00 1.00 N ATOM 1018 CZ ARG A 60 -14.434 2.100 15.768 1.00 1.00 C ATOM 1019 NH1 ARG A 60 -14.978 3.090 15.106 1.00 1.00 N ATOM 1020 NH2 ARG A 60 -14.021 2.281 16.995 1.00 1.00 N ATOM 0 H ARG A 60 -10.093 -0.831 10.840 1.00 1.00 H new ATOM 0 HA ARG A 60 -10.755 0.165 13.569 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -12.803 -0.561 11.927 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -12.337 -2.156 12.481 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -14.002 -1.307 14.046 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -12.460 -1.303 14.878 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -12.231 1.054 14.740 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -13.289 1.180 13.349 1.00 1.00 H new ATOM 0 HE ARG A 60 -14.995 0.199 15.376 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -15.300 2.947 14.149 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -15.079 4.004 15.547 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -13.598 1.509 17.510 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -14.122 3.194 17.438 1.00 1.00 H new ATOM 1034 N GLU A 61 -9.745 -2.784 12.430 1.00 1.00 N ATOM 1035 CA GLU A 61 -8.904 -3.957 12.830 1.00 1.00 C ATOM 1036 C GLU A 61 -7.816 -4.249 11.778 1.00 1.00 C ATOM 1037 O GLU A 61 -7.250 -5.329 11.763 1.00 1.00 O ATOM 1038 CB GLU A 61 -9.805 -5.188 12.989 1.00 1.00 C ATOM 1039 CG GLU A 61 -10.352 -5.245 14.421 1.00 1.00 C ATOM 1040 CD GLU A 61 -11.872 -5.055 14.399 1.00 1.00 C ATOM 1041 OE1 GLU A 61 -12.309 -3.917 14.464 1.00 1.00 O ATOM 1042 OE2 GLU A 61 -12.575 -6.050 14.320 1.00 1.00 O ATOM 0 H GLU A 61 -10.116 -2.819 11.480 1.00 1.00 H new ATOM 0 HA GLU A 61 -8.410 -3.724 13.773 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -10.628 -5.143 12.276 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -9.241 -6.094 12.768 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -10.102 -6.202 14.879 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -9.887 -4.469 15.030 1.00 1.00 H new ATOM 1049 N GLY A 62 -7.498 -3.308 10.909 1.00 1.00 N ATOM 1050 CA GLY A 62 -6.436 -3.568 9.893 1.00 1.00 C ATOM 1051 C GLY A 62 -6.944 -3.235 8.489 1.00 1.00 C ATOM 1052 O GLY A 62 -7.510 -4.073 7.810 1.00 1.00 O ATOM 0 H GLY A 62 -7.927 -2.384 10.865 1.00 1.00 H new ATOM 0 HA2 GLY A 62 -5.554 -2.968 10.119 1.00 1.00 H new ATOM 0 HA3 GLY A 62 -6.131 -4.613 9.937 1.00 1.00 H new ATOM 1056 N ASP A 63 -6.716 -2.025 8.047 1.00 1.00 N ATOM 1057 CA ASP A 63 -7.151 -1.618 6.669 1.00 1.00 C ATOM 1058 C ASP A 63 -5.935 -1.705 5.736 1.00 1.00 C ATOM 1059 O ASP A 63 -4.806 -1.721 6.199 1.00 1.00 O ATOM 1060 CB ASP A 63 -7.680 -0.179 6.697 1.00 1.00 C ATOM 1061 CG ASP A 63 -9.113 -0.145 6.154 1.00 1.00 C ATOM 1062 OD1 ASP A 63 -9.268 -0.160 4.943 1.00 1.00 O ATOM 1063 OD2 ASP A 63 -10.030 -0.099 6.957 1.00 1.00 O ATOM 0 H ASP A 63 -6.245 -1.295 8.581 1.00 1.00 H new ATOM 0 HA ASP A 63 -7.945 -2.276 6.315 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -7.658 0.207 7.716 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -7.038 0.466 6.097 1.00 1.00 H new ATOM 1068 N VAL A 64 -6.130 -1.760 4.435 1.00 1.00 N ATOM 1069 CA VAL A 64 -4.938 -1.847 3.526 1.00 1.00 C ATOM 1070 C VAL A 64 -4.709 -0.504 2.847 1.00 1.00 C ATOM 1071 O VAL A 64 -5.640 0.186 2.474 1.00 1.00 O ATOM 1072 CB VAL A 64 -5.107 -2.940 2.464 1.00 1.00 C ATOM 1073 CG1 VAL A 64 -3.898 -3.876 2.538 1.00 1.00 C ATOM 1074 CG2 VAL A 64 -6.387 -3.740 2.712 1.00 1.00 C ATOM 0 H VAL A 64 -7.039 -1.749 3.973 1.00 1.00 H new ATOM 0 HA VAL A 64 -4.074 -2.108 4.137 1.00 1.00 H new ATOM 0 HB VAL A 64 -5.176 -2.480 1.478 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -4.000 -4.662 1.789 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -2.987 -3.309 2.348 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -3.846 -4.325 3.530 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -6.488 -4.510 1.948 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -6.339 -4.208 3.695 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.247 -3.072 2.670 1.00 1.00 H new ATOM 1084 N VAL A 65 -3.467 -0.125 2.707 1.00 1.00 N ATOM 1085 CA VAL A 65 -3.153 1.192 2.074 1.00 1.00 C ATOM 1086 C VAL A 65 -1.902 1.097 1.198 1.00 1.00 C ATOM 1087 O VAL A 65 -1.043 0.257 1.403 1.00 1.00 O ATOM 1088 CB VAL A 65 -2.911 2.237 3.178 1.00 1.00 C ATOM 1089 CG1 VAL A 65 -4.128 2.304 4.107 1.00 1.00 C ATOM 1090 CG2 VAL A 65 -1.673 1.853 3.998 1.00 1.00 C ATOM 0 H VAL A 65 -2.656 -0.669 3.003 1.00 1.00 H new ATOM 0 HA VAL A 65 -3.996 1.483 1.448 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.753 3.210 2.713 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -3.951 3.045 4.886 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -5.010 2.586 3.532 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -4.290 1.328 4.565 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -1.508 2.597 4.777 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -1.828 0.876 4.456 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -0.802 1.813 3.344 1.00 1.00 H new ATOM 1100 N ILE A 66 -1.765 2.005 0.265 1.00 1.00 N ATOM 1101 CA ILE A 66 -0.528 2.030 -0.582 1.00 1.00 C ATOM 1102 C ILE A 66 0.356 3.139 -0.007 1.00 1.00 C ATOM 1103 O ILE A 66 -0.156 4.114 0.518 1.00 1.00 O ATOM 1104 CB ILE A 66 -0.872 2.305 -2.054 1.00 1.00 C ATOM 1105 CG1 ILE A 66 0.303 1.868 -2.934 1.00 1.00 C ATOM 1106 CG2 ILE A 66 -1.139 3.798 -2.278 1.00 1.00 C ATOM 1107 CD1 ILE A 66 0.101 0.419 -3.380 1.00 1.00 C ATOM 0 H ILE A 66 -2.452 2.728 0.052 1.00 1.00 H new ATOM 0 HA ILE A 66 -0.017 1.068 -0.563 1.00 1.00 H new ATOM 0 HB ILE A 66 -1.770 1.745 -2.315 1.00 1.00 H new ATOM 0 HG12 ILE A 66 0.380 2.519 -3.805 1.00 1.00 H new ATOM 0 HG13 ILE A 66 1.238 1.962 -2.382 1.00 1.00 H new ATOM 0 HG21 ILE A 66 -1.381 3.971 -3.327 1.00 1.00 H new ATOM 0 HG22 ILE A 66 -1.976 4.115 -1.656 1.00 1.00 H new ATOM 0 HG23 ILE A 66 -0.251 4.371 -2.011 1.00 1.00 H new ATOM 0 HD11 ILE A 66 0.938 0.111 -4.006 1.00 1.00 H new ATOM 0 HD12 ILE A 66 0.046 -0.227 -2.504 1.00 1.00 H new ATOM 0 HD13 ILE A 66 -0.826 0.339 -3.949 1.00 1.00 H new ATOM 1119 N VAL A 67 1.663 3.003 -0.038 1.00 1.00 N ATOM 1120 CA VAL A 67 2.502 4.070 0.591 1.00 1.00 C ATOM 1121 C VAL A 67 3.652 4.559 -0.313 1.00 1.00 C ATOM 1122 O VAL A 67 4.177 3.846 -1.158 1.00 1.00 O ATOM 1123 CB VAL A 67 3.084 3.553 1.928 1.00 1.00 C ATOM 1124 CG1 VAL A 67 2.214 2.422 2.488 1.00 1.00 C ATOM 1125 CG2 VAL A 67 4.509 3.026 1.722 1.00 1.00 C ATOM 0 H VAL A 67 2.170 2.224 -0.458 1.00 1.00 H new ATOM 0 HA VAL A 67 1.846 4.924 0.758 1.00 1.00 H new ATOM 0 HB VAL A 67 3.100 4.385 2.633 1.00 1.00 H new ATOM 0 HG11 VAL A 67 2.637 2.069 3.429 1.00 1.00 H new ATOM 0 HG12 VAL A 67 1.203 2.792 2.661 1.00 1.00 H new ATOM 0 HG13 VAL A 67 2.182 1.599 1.773 1.00 1.00 H new ATOM 0 HG21 VAL A 67 4.905 2.666 2.672 1.00 1.00 H new ATOM 0 HG22 VAL A 67 4.494 2.208 1.002 1.00 1.00 H new ATOM 0 HG23 VAL A 67 5.143 3.829 1.346 1.00 1.00 H new ATOM 1135 N LYS A 68 4.057 5.781 -0.054 1.00 1.00 N ATOM 1136 CA LYS A 68 5.192 6.430 -0.767 1.00 1.00 C ATOM 1137 C LYS A 68 6.354 6.486 0.226 1.00 1.00 C ATOM 1138 O LYS A 68 6.102 6.575 1.414 1.00 1.00 O ATOM 1139 CB LYS A 68 4.799 7.851 -1.203 1.00 1.00 C ATOM 1140 CG LYS A 68 3.589 7.789 -2.142 1.00 1.00 C ATOM 1141 CD LYS A 68 4.048 7.389 -3.548 1.00 1.00 C ATOM 1142 CE LYS A 68 3.621 5.948 -3.841 1.00 1.00 C ATOM 1143 NZ LYS A 68 2.161 5.909 -4.146 1.00 1.00 N ATOM 0 H LYS A 68 3.624 6.374 0.654 1.00 1.00 H new ATOM 0 HA LYS A 68 5.466 5.873 -1.663 1.00 1.00 H new ATOM 0 HB2 LYS A 68 4.562 8.457 -0.329 1.00 1.00 H new ATOM 0 HB3 LYS A 68 5.638 8.332 -1.707 1.00 1.00 H new ATOM 0 HG2 LYS A 68 2.862 7.068 -1.767 1.00 1.00 H new ATOM 0 HG3 LYS A 68 3.091 8.758 -2.173 1.00 1.00 H new ATOM 0 HD2 LYS A 68 3.616 8.064 -4.287 1.00 1.00 H new ATOM 0 HD3 LYS A 68 5.131 7.480 -3.627 1.00 1.00 H new ATOM 0 HE2 LYS A 68 4.189 5.554 -4.684 1.00 1.00 H new ATOM 0 HE3 LYS A 68 3.840 5.312 -2.984 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 1.951 5.078 -4.735 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 1.622 5.850 -3.258 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 1.890 6.773 -4.658 1.00 1.00 H new ATOM 1157 N PRO A 69 7.574 6.420 -0.266 1.00 1.00 N ATOM 1158 CA PRO A 69 8.777 6.412 0.595 1.00 1.00 C ATOM 1159 C PRO A 69 9.294 7.821 0.914 1.00 1.00 C ATOM 1160 O PRO A 69 9.370 8.689 0.062 1.00 1.00 O ATOM 1161 CB PRO A 69 9.809 5.702 -0.275 1.00 1.00 C ATOM 1162 CG PRO A 69 9.348 5.877 -1.747 1.00 1.00 C ATOM 1163 CD PRO A 69 7.867 6.304 -1.706 1.00 1.00 C ATOM 0 HA PRO A 69 8.573 5.945 1.558 1.00 1.00 H new ATOM 0 HB2 PRO A 69 10.800 6.130 -0.127 1.00 1.00 H new ATOM 0 HB3 PRO A 69 9.875 4.646 -0.013 1.00 1.00 H new ATOM 0 HG2 PRO A 69 9.953 6.629 -2.254 1.00 1.00 H new ATOM 0 HG3 PRO A 69 9.466 4.946 -2.302 1.00 1.00 H new ATOM 0 HD2 PRO A 69 7.709 7.250 -2.224 1.00 1.00 H new ATOM 0 HD3 PRO A 69 7.225 5.566 -2.187 1.00 1.00 H new ATOM 1171 N TRP A 70 9.644 8.024 2.168 1.00 1.00 N ATOM 1172 CA TRP A 70 10.164 9.344 2.639 1.00 1.00 C ATOM 1173 C TRP A 70 11.562 9.119 3.216 1.00 1.00 C ATOM 1174 O TRP A 70 11.679 8.438 4.238 1.00 1.00 O ATOM 1175 CB TRP A 70 9.353 9.894 3.809 1.00 1.00 C ATOM 1176 CG TRP A 70 8.082 10.343 3.334 1.00 1.00 C ATOM 1177 CD1 TRP A 70 7.370 9.690 2.434 1.00 1.00 C ATOM 1178 CD2 TRP A 70 7.336 11.509 3.720 1.00 1.00 C ATOM 1179 NE1 TRP A 70 6.234 10.349 2.235 1.00 1.00 N ATOM 1180 CE2 TRP A 70 6.148 11.493 2.997 1.00 1.00 C ATOM 1181 CE3 TRP A 70 7.569 12.566 4.616 1.00 1.00 C ATOM 1182 CZ2 TRP A 70 5.203 12.478 3.140 1.00 1.00 C ATOM 1183 CZ3 TRP A 70 6.614 13.581 4.768 1.00 1.00 C ATOM 1184 CH2 TRP A 70 5.426 13.534 4.029 1.00 1.00 C ATOM 0 H TRP A 70 9.588 7.311 2.896 1.00 1.00 H new ATOM 0 HA TRP A 70 10.128 10.029 1.792 1.00 1.00 H new ATOM 0 HB2 TRP A 70 9.219 9.123 4.568 1.00 1.00 H new ATOM 0 HB3 TRP A 70 9.888 10.717 4.282 1.00 1.00 H new ATOM 0 HD1 TRP A 70 7.662 8.774 1.942 1.00 1.00 H new ATOM 0 HE1 TRP A 70 5.506 10.042 1.590 1.00 1.00 H new ATOM 0 HE3 TRP A 70 8.485 12.597 5.188 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 4.289 12.438 2.567 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 6.794 14.396 5.453 1.00 1.00 H new ATOM 0 HH2 TRP A 70 4.684 14.311 4.145 1.00 1.00 H new ATOM 1195 N GLU A 71 12.593 9.690 2.631 1.00 1.00 N ATOM 1196 CA GLU A 71 13.988 9.522 3.178 1.00 1.00 C ATOM 1197 C GLU A 71 14.264 8.044 3.547 1.00 1.00 C ATOM 1198 O GLU A 71 13.662 7.137 2.997 1.00 1.00 O ATOM 1199 CB GLU A 71 14.147 10.408 4.419 1.00 1.00 C ATOM 1200 CG GLU A 71 13.874 11.870 4.050 1.00 1.00 C ATOM 1201 CD GLU A 71 14.437 12.787 5.142 1.00 1.00 C ATOM 1202 OE1 GLU A 71 13.737 13.017 6.116 1.00 1.00 O ATOM 1203 OE2 GLU A 71 15.556 13.247 4.984 1.00 1.00 O ATOM 0 H GLU A 71 12.530 10.269 1.793 1.00 1.00 H new ATOM 0 HA GLU A 71 14.706 9.818 2.413 1.00 1.00 H new ATOM 0 HB2 GLU A 71 13.457 10.085 5.199 1.00 1.00 H new ATOM 0 HB3 GLU A 71 15.154 10.307 4.823 1.00 1.00 H new ATOM 0 HG2 GLU A 71 14.333 12.106 3.090 1.00 1.00 H new ATOM 0 HG3 GLU A 71 12.802 12.034 3.939 1.00 1.00 H new ATOM 1210 N VAL A 72 15.174 7.799 4.474 1.00 1.00 N ATOM 1211 CA VAL A 72 15.495 6.391 4.888 1.00 1.00 C ATOM 1212 C VAL A 72 15.759 6.356 6.407 1.00 1.00 C ATOM 1213 O VAL A 72 14.897 5.977 7.184 1.00 1.00 O ATOM 1214 CB VAL A 72 16.736 5.897 4.124 1.00 1.00 C ATOM 1215 CG1 VAL A 72 17.094 4.477 4.577 1.00 1.00 C ATOM 1216 CG2 VAL A 72 16.447 5.887 2.618 1.00 1.00 C ATOM 0 H VAL A 72 15.708 8.519 4.961 1.00 1.00 H new ATOM 0 HA VAL A 72 14.654 5.738 4.654 1.00 1.00 H new ATOM 0 HB VAL A 72 17.570 6.567 4.332 1.00 1.00 H new ATOM 0 HG11 VAL A 72 17.973 4.132 4.033 1.00 1.00 H new ATOM 0 HG12 VAL A 72 17.307 4.479 5.646 1.00 1.00 H new ATOM 0 HG13 VAL A 72 16.257 3.809 4.375 1.00 1.00 H new ATOM 0 HG21 VAL A 72 17.328 5.537 2.081 1.00 1.00 H new ATOM 0 HG22 VAL A 72 15.608 5.221 2.413 1.00 1.00 H new ATOM 0 HG23 VAL A 72 16.199 6.896 2.288 1.00 1.00 H new ATOM 1226 N GLN A 73 16.941 6.759 6.833 1.00 1.00 N ATOM 1227 CA GLN A 73 17.281 6.771 8.298 1.00 1.00 C ATOM 1228 C GLN A 73 16.901 5.424 8.953 1.00 1.00 C ATOM 1229 O GLN A 73 16.878 4.394 8.301 1.00 1.00 O ATOM 1230 CB GLN A 73 16.522 7.922 8.977 1.00 1.00 C ATOM 1231 CG GLN A 73 16.804 9.239 8.242 1.00 1.00 C ATOM 1232 CD GLN A 73 15.511 10.052 8.120 1.00 1.00 C ATOM 1233 OE1 GLN A 73 14.513 9.574 7.425 1.00 1.00 O flip ATOM 1234 NE2 GLN A 73 15.407 11.134 8.663 1.00 1.00 N flip ATOM 0 H GLN A 73 17.690 7.083 6.221 1.00 1.00 H new ATOM 0 HA GLN A 73 18.355 6.916 8.418 1.00 1.00 H new ATOM 0 HB2 GLN A 73 15.452 7.715 8.973 1.00 1.00 H new ATOM 0 HB3 GLN A 73 16.827 8.005 10.020 1.00 1.00 H new ATOM 0 HG2 GLN A 73 17.556 9.814 8.782 1.00 1.00 H new ATOM 0 HG3 GLN A 73 17.210 9.034 7.252 1.00 1.00 H new ATOM 0 HE21 GLN A 73 16.185 11.509 9.206 1.00 1.00 H new ATOM 0 HE22 GLN A 73 14.542 11.667 8.576 1.00 1.00 H new ATOM 1243 N GLY A 74 16.600 5.427 10.238 1.00 1.00 N ATOM 1244 CA GLY A 74 16.216 4.158 10.934 1.00 1.00 C ATOM 1245 C GLY A 74 14.689 3.962 10.874 1.00 1.00 C ATOM 1246 O GLY A 74 14.141 3.124 11.565 1.00 1.00 O ATOM 0 H GLY A 74 16.605 6.257 10.831 1.00 1.00 H new ATOM 0 HA2 GLY A 74 16.718 3.311 10.466 1.00 1.00 H new ATOM 0 HA3 GLY A 74 16.546 4.190 11.972 1.00 1.00 H new ATOM 1250 N ASP A 75 14.008 4.724 10.044 1.00 1.00 N ATOM 1251 CA ASP A 75 12.522 4.602 9.909 1.00 1.00 C ATOM 1252 C ASP A 75 12.096 5.472 8.733 1.00 1.00 C ATOM 1253 O ASP A 75 12.690 6.506 8.477 1.00 1.00 O ATOM 1254 CB ASP A 75 11.820 5.081 11.186 1.00 1.00 C ATOM 1255 CG ASP A 75 10.298 5.087 10.983 1.00 1.00 C ATOM 1256 OD1 ASP A 75 9.706 4.020 11.037 1.00 1.00 O ATOM 1257 OD2 ASP A 75 9.750 6.160 10.779 1.00 1.00 O ATOM 0 H ASP A 75 14.429 5.435 9.447 1.00 1.00 H new ATOM 0 HA ASP A 75 12.246 3.560 9.746 1.00 1.00 H new ATOM 0 HB2 ASP A 75 12.081 4.429 12.020 1.00 1.00 H new ATOM 0 HB3 ASP A 75 12.164 6.082 11.445 1.00 1.00 H new ATOM 1262 N GLN A 76 11.098 5.067 7.996 1.00 1.00 N ATOM 1263 CA GLN A 76 10.695 5.891 6.819 1.00 1.00 C ATOM 1264 C GLN A 76 9.308 6.506 7.000 1.00 1.00 C ATOM 1265 O GLN A 76 8.436 5.959 7.659 1.00 1.00 O ATOM 1266 CB GLN A 76 10.711 5.013 5.567 1.00 1.00 C ATOM 1267 CG GLN A 76 12.162 4.829 5.106 1.00 1.00 C ATOM 1268 CD GLN A 76 12.214 4.509 3.606 1.00 1.00 C ATOM 1269 OE1 GLN A 76 11.244 4.682 2.891 1.00 1.00 O ATOM 1270 NE2 GLN A 76 13.324 4.047 3.094 1.00 1.00 N ATOM 0 H GLN A 76 10.553 4.219 8.152 1.00 1.00 H new ATOM 0 HA GLN A 76 11.406 6.711 6.719 1.00 1.00 H new ATOM 0 HB2 GLN A 76 10.258 4.045 5.780 1.00 1.00 H new ATOM 0 HB3 GLN A 76 10.120 5.474 4.776 1.00 1.00 H new ATOM 0 HG2 GLN A 76 12.732 5.735 5.310 1.00 1.00 H new ATOM 0 HG3 GLN A 76 12.630 4.024 5.672 1.00 1.00 H new ATOM 0 HE21 GLN A 76 14.139 3.901 3.690 1.00 1.00 H new ATOM 0 HE22 GLN A 76 13.376 3.833 2.098 1.00 1.00 H new ATOM 1279 N LYS A 77 9.094 7.636 6.372 1.00 1.00 N ATOM 1280 CA LYS A 77 7.748 8.294 6.438 1.00 1.00 C ATOM 1281 C LYS A 77 7.037 7.938 5.150 1.00 1.00 C ATOM 1282 O LYS A 77 7.680 7.662 4.166 1.00 1.00 O ATOM 1283 CB LYS A 77 7.898 9.815 6.592 1.00 1.00 C ATOM 1284 CG LYS A 77 6.576 10.418 7.076 1.00 1.00 C ATOM 1285 CD LYS A 77 6.346 10.051 8.546 1.00 1.00 C ATOM 1286 CE LYS A 77 6.500 11.297 9.423 1.00 1.00 C ATOM 1287 NZ LYS A 77 5.999 11.002 10.795 1.00 1.00 N ATOM 0 H LYS A 77 9.791 8.132 5.817 1.00 1.00 H new ATOM 0 HA LYS A 77 7.177 7.951 7.301 1.00 1.00 H new ATOM 0 HB2 LYS A 77 8.694 10.042 7.302 1.00 1.00 H new ATOM 0 HB3 LYS A 77 8.185 10.260 5.639 1.00 1.00 H new ATOM 0 HG2 LYS A 77 6.596 11.502 6.961 1.00 1.00 H new ATOM 0 HG3 LYS A 77 5.752 10.048 6.466 1.00 1.00 H new ATOM 0 HD2 LYS A 77 5.350 9.627 8.673 1.00 1.00 H new ATOM 0 HD3 LYS A 77 7.059 9.287 8.855 1.00 1.00 H new ATOM 0 HE2 LYS A 77 7.546 11.600 9.463 1.00 1.00 H new ATOM 0 HE3 LYS A 77 5.944 12.129 8.992 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 6.103 11.847 11.392 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 4.996 10.733 10.748 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 6.548 10.220 11.204 1.00 1.00 H new ATOM 1301 N CYS A 78 5.746 7.876 5.120 1.00 1.00 N ATOM 1302 CA CYS A 78 5.098 7.483 3.841 1.00 1.00 C ATOM 1303 C CYS A 78 3.812 8.256 3.614 1.00 1.00 C ATOM 1304 O CYS A 78 3.117 8.625 4.544 1.00 1.00 O ATOM 1305 CB CYS A 78 4.796 5.982 3.852 1.00 1.00 C ATOM 1306 SG CYS A 78 3.602 5.593 5.151 1.00 1.00 S ATOM 0 H CYS A 78 5.120 8.073 5.900 1.00 1.00 H new ATOM 0 HA CYS A 78 5.787 7.717 3.029 1.00 1.00 H new ATOM 0 HB2 CYS A 78 4.402 5.676 2.883 1.00 1.00 H new ATOM 0 HB3 CYS A 78 5.716 5.420 4.014 1.00 1.00 H new ATOM 0 HG CYS A 78 3.467 4.303 5.245 1.00 1.00 H new ATOM 1312 N ASP A 79 3.463 8.442 2.370 1.00 1.00 N ATOM 1313 CA ASP A 79 2.166 9.130 2.063 1.00 1.00 C ATOM 1314 C ASP A 79 1.203 8.006 1.717 1.00 1.00 C ATOM 1315 O ASP A 79 1.484 7.216 0.831 1.00 1.00 O ATOM 1316 CB ASP A 79 2.331 10.089 0.877 1.00 1.00 C ATOM 1317 CG ASP A 79 1.427 11.314 1.074 1.00 1.00 C ATOM 1318 OD1 ASP A 79 0.218 11.138 1.111 1.00 1.00 O ATOM 1319 OD2 ASP A 79 1.960 12.406 1.183 1.00 1.00 O ATOM 0 H ASP A 79 4.009 8.153 1.558 1.00 1.00 H new ATOM 0 HA ASP A 79 1.810 9.732 2.899 1.00 1.00 H new ATOM 0 HB2 ASP A 79 3.371 10.402 0.792 1.00 1.00 H new ATOM 0 HB3 ASP A 79 2.074 9.581 -0.053 1.00 1.00 H new ATOM 1324 N ILE A 80 0.132 7.848 2.441 1.00 1.00 N ATOM 1325 CA ILE A 80 -0.738 6.668 2.149 1.00 1.00 C ATOM 1326 C ILE A 80 -2.161 7.004 1.756 1.00 1.00 C ATOM 1327 O ILE A 80 -2.738 8.008 2.137 1.00 1.00 O ATOM 1328 CB ILE A 80 -0.801 5.742 3.365 1.00 1.00 C ATOM 1329 CG1 ILE A 80 -1.112 6.544 4.636 1.00 1.00 C ATOM 1330 CG2 ILE A 80 0.532 5.028 3.517 1.00 1.00 C ATOM 1331 CD1 ILE A 80 -2.528 6.215 5.111 1.00 1.00 C ATOM 0 H ILE A 80 -0.175 8.459 3.198 1.00 1.00 H new ATOM 0 HA ILE A 80 -0.268 6.190 1.289 1.00 1.00 H new ATOM 0 HB ILE A 80 -1.596 5.011 3.217 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -0.390 6.304 5.416 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -1.022 7.612 4.436 1.00 1.00 H new ATOM 0 HG21 ILE A 80 0.494 4.366 4.382 1.00 1.00 H new ATOM 0 HG22 ILE A 80 0.735 4.442 2.621 1.00 1.00 H new ATOM 0 HG23 ILE A 80 1.325 5.763 3.657 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -2.750 6.784 6.014 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -3.243 6.477 4.331 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -2.601 5.149 5.327 1.00 1.00 H new ATOM 1343 N ILE A 81 -2.730 6.069 1.047 1.00 1.00 N ATOM 1344 CA ILE A 81 -4.157 6.152 0.628 1.00 1.00 C ATOM 1345 C ILE A 81 -4.856 4.965 1.298 1.00 1.00 C ATOM 1346 O ILE A 81 -4.340 3.852 1.287 1.00 1.00 O ATOM 1347 CB ILE A 81 -4.297 6.084 -0.906 1.00 1.00 C ATOM 1348 CG1 ILE A 81 -3.922 4.690 -1.421 1.00 1.00 C ATOM 1349 CG2 ILE A 81 -3.376 7.123 -1.547 1.00 1.00 C ATOM 1350 CD1 ILE A 81 -5.193 3.899 -1.742 1.00 1.00 C ATOM 0 H ILE A 81 -2.250 5.226 0.732 1.00 1.00 H new ATOM 0 HA ILE A 81 -4.603 7.101 0.928 1.00 1.00 H new ATOM 0 HB ILE A 81 -5.334 6.290 -1.171 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -3.301 4.776 -2.313 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -3.333 4.161 -0.672 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -3.474 7.076 -2.632 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -3.654 8.118 -1.200 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -2.343 6.916 -1.267 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -4.922 2.909 -2.108 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -5.798 3.800 -0.840 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -5.765 4.424 -2.507 1.00 1.00 H new ATOM 1362 N TRP A 82 -5.985 5.198 1.924 1.00 1.00 N ATOM 1363 CA TRP A 82 -6.680 4.096 2.659 1.00 1.00 C ATOM 1364 C TRP A 82 -7.799 3.478 1.815 1.00 1.00 C ATOM 1365 O TRP A 82 -8.467 4.145 1.044 1.00 1.00 O ATOM 1366 CB TRP A 82 -7.241 4.668 3.981 1.00 1.00 C ATOM 1367 CG TRP A 82 -8.605 4.117 4.288 1.00 1.00 C ATOM 1368 CD1 TRP A 82 -8.856 3.063 5.099 1.00 1.00 C ATOM 1369 CD2 TRP A 82 -9.902 4.578 3.806 1.00 1.00 C ATOM 1370 NE1 TRP A 82 -10.222 2.848 5.144 1.00 1.00 N ATOM 1371 CE2 TRP A 82 -10.909 3.755 4.363 1.00 1.00 C ATOM 1372 CE3 TRP A 82 -10.296 5.619 2.945 1.00 1.00 C ATOM 1373 CZ2 TRP A 82 -12.260 3.960 4.078 1.00 1.00 C ATOM 1374 CZ3 TRP A 82 -11.655 5.827 2.657 1.00 1.00 C ATOM 1375 CH2 TRP A 82 -12.634 4.999 3.222 1.00 1.00 C ATOM 0 H TRP A 82 -6.454 6.103 1.957 1.00 1.00 H new ATOM 0 HA TRP A 82 -5.967 3.299 2.871 1.00 1.00 H new ATOM 0 HB2 TRP A 82 -6.560 4.431 4.798 1.00 1.00 H new ATOM 0 HB3 TRP A 82 -7.294 5.755 3.915 1.00 1.00 H new ATOM 0 HD1 TRP A 82 -8.111 2.484 5.625 1.00 1.00 H new ATOM 0 HE1 TRP A 82 -10.667 2.109 5.688 1.00 1.00 H new ATOM 0 HE3 TRP A 82 -9.549 6.262 2.503 1.00 1.00 H new ATOM 0 HZ2 TRP A 82 -13.011 3.320 4.516 1.00 1.00 H new ATOM 0 HZ3 TRP A 82 -11.947 6.630 1.996 1.00 1.00 H new ATOM 0 HH2 TRP A 82 -13.677 5.164 2.996 1.00 1.00 H new ATOM 1386 N ARG A 83 -7.998 2.192 1.986 1.00 1.00 N ATOM 1387 CA ARG A 83 -9.064 1.462 1.240 1.00 1.00 C ATOM 1388 C ARG A 83 -9.161 0.021 1.767 1.00 1.00 C ATOM 1389 O ARG A 83 -8.203 -0.534 2.294 1.00 1.00 O ATOM 1390 CB ARG A 83 -8.731 1.440 -0.257 1.00 1.00 C ATOM 1391 CG ARG A 83 -10.014 1.643 -1.072 1.00 1.00 C ATOM 1392 CD ARG A 83 -10.085 3.092 -1.565 1.00 1.00 C ATOM 1393 NE ARG A 83 -11.504 3.462 -1.832 1.00 1.00 N ATOM 1394 CZ ARG A 83 -12.119 4.304 -1.044 1.00 1.00 C ATOM 1395 NH1 ARG A 83 -12.753 3.866 0.012 1.00 1.00 N ATOM 1396 NH2 ARG A 83 -12.100 5.584 -1.314 1.00 1.00 N ATOM 0 H ARG A 83 -7.455 1.610 2.624 1.00 1.00 H new ATOM 0 HA ARG A 83 -10.017 1.970 1.386 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -8.011 2.224 -0.491 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -8.266 0.491 -0.523 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -10.030 0.958 -1.920 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -10.886 1.413 -0.460 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -9.659 3.762 -0.818 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -9.492 3.207 -2.472 1.00 1.00 H new ATOM 0 HE ARG A 83 -11.995 3.058 -2.630 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -12.767 2.868 0.221 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -13.233 4.523 0.627 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -11.606 5.924 -2.139 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -12.580 6.242 -0.700 1.00 1.00 H new ATOM 1410 N TYR A 84 -10.312 -0.587 1.627 1.00 1.00 N ATOM 1411 CA TYR A 84 -10.493 -1.989 2.105 1.00 1.00 C ATOM 1412 C TYR A 84 -10.316 -2.949 0.924 1.00 1.00 C ATOM 1413 O TYR A 84 -9.631 -3.950 1.027 1.00 1.00 O ATOM 1414 CB TYR A 84 -11.896 -2.148 2.697 1.00 1.00 C ATOM 1415 CG TYR A 84 -11.920 -3.329 3.639 1.00 1.00 C ATOM 1416 CD1 TYR A 84 -11.282 -3.248 4.882 1.00 1.00 C ATOM 1417 CD2 TYR A 84 -12.579 -4.507 3.266 1.00 1.00 C ATOM 1418 CE1 TYR A 84 -11.304 -4.344 5.753 1.00 1.00 C ATOM 1419 CE2 TYR A 84 -12.601 -5.603 4.137 1.00 1.00 C ATOM 1420 CZ TYR A 84 -11.964 -5.521 5.380 1.00 1.00 C ATOM 1421 OH TYR A 84 -11.985 -6.602 6.239 1.00 1.00 O ATOM 0 H TYR A 84 -11.138 -0.169 1.199 1.00 1.00 H new ATOM 0 HA TYR A 84 -9.753 -2.217 2.872 1.00 1.00 H new ATOM 0 HB2 TYR A 84 -12.182 -1.240 3.229 1.00 1.00 H new ATOM 0 HB3 TYR A 84 -12.624 -2.292 1.899 1.00 1.00 H new ATOM 0 HD1 TYR A 84 -10.773 -2.340 5.169 1.00 1.00 H new ATOM 0 HD2 TYR A 84 -13.070 -4.570 2.306 1.00 1.00 H new ATOM 0 HE1 TYR A 84 -10.812 -4.281 6.712 1.00 1.00 H new ATOM 0 HE2 TYR A 84 -13.109 -6.511 3.849 1.00 1.00 H new ATOM 0 HH TYR A 84 -12.486 -7.337 5.827 1.00 1.00 H new ATOM 1431 N THR A 85 -10.928 -2.642 -0.199 1.00 1.00 N ATOM 1432 CA THR A 85 -10.804 -3.519 -1.403 1.00 1.00 C ATOM 1433 C THR A 85 -10.232 -2.699 -2.572 1.00 1.00 C ATOM 1434 O THR A 85 -10.820 -2.615 -3.638 1.00 1.00 O ATOM 1435 CB THR A 85 -12.187 -4.086 -1.774 1.00 1.00 C ATOM 1436 OG1 THR A 85 -13.133 -3.025 -1.881 1.00 1.00 O ATOM 1437 CG2 THR A 85 -12.641 -5.077 -0.698 1.00 1.00 C ATOM 0 H THR A 85 -11.511 -1.815 -0.330 1.00 1.00 H new ATOM 0 HA THR A 85 -10.131 -4.349 -1.187 1.00 1.00 H new ATOM 0 HB THR A 85 -12.119 -4.600 -2.733 1.00 1.00 H new ATOM 0 HG1 THR A 85 -14.010 -3.392 -2.119 1.00 1.00 H new ATOM 0 HG21 THR A 85 -13.620 -5.477 -0.962 1.00 1.00 H new ATOM 0 HG22 THR A 85 -11.922 -5.893 -0.628 1.00 1.00 H new ATOM 0 HG23 THR A 85 -12.705 -4.567 0.263 1.00 1.00 H new ATOM 1445 N LYS A 86 -9.081 -2.097 -2.373 1.00 1.00 N ATOM 1446 CA LYS A 86 -8.451 -1.279 -3.457 1.00 1.00 C ATOM 1447 C LYS A 86 -7.876 -2.203 -4.537 1.00 1.00 C ATOM 1448 O LYS A 86 -7.364 -3.270 -4.245 1.00 1.00 O ATOM 1449 CB LYS A 86 -7.320 -0.425 -2.869 1.00 1.00 C ATOM 1450 CG LYS A 86 -7.538 1.046 -3.232 1.00 1.00 C ATOM 1451 CD LYS A 86 -6.869 1.352 -4.575 1.00 1.00 C ATOM 1452 CE LYS A 86 -6.999 2.845 -4.884 1.00 1.00 C ATOM 1453 NZ LYS A 86 -8.360 3.130 -5.425 1.00 1.00 N ATOM 0 H LYS A 86 -8.551 -2.138 -1.503 1.00 1.00 H new ATOM 0 HA LYS A 86 -9.208 -0.630 -3.898 1.00 1.00 H new ATOM 0 HB2 LYS A 86 -7.290 -0.541 -1.786 1.00 1.00 H new ATOM 0 HB3 LYS A 86 -6.358 -0.765 -3.253 1.00 1.00 H new ATOM 0 HG2 LYS A 86 -8.605 1.262 -3.289 1.00 1.00 H new ATOM 0 HG3 LYS A 86 -7.124 1.688 -2.454 1.00 1.00 H new ATOM 0 HD2 LYS A 86 -5.817 1.067 -4.542 1.00 1.00 H new ATOM 0 HD3 LYS A 86 -7.334 0.764 -5.367 1.00 1.00 H new ATOM 0 HE2 LYS A 86 -6.827 3.430 -3.980 1.00 1.00 H new ATOM 0 HE3 LYS A 86 -6.240 3.144 -5.607 1.00 1.00 H new ATOM 0 HZ1 LYS A 86 -8.445 4.145 -5.634 1.00 1.00 H new ATOM 0 HZ2 LYS A 86 -8.508 2.583 -6.297 1.00 1.00 H new ATOM 0 HZ3 LYS A 86 -9.077 2.860 -4.721 1.00 1.00 H new ATOM 1467 N THR A 87 -7.950 -1.792 -5.781 1.00 1.00 N ATOM 1468 CA THR A 87 -7.401 -2.630 -6.894 1.00 1.00 C ATOM 1469 C THR A 87 -5.863 -2.574 -6.873 1.00 1.00 C ATOM 1470 O THR A 87 -5.198 -3.436 -7.420 1.00 1.00 O ATOM 1471 CB THR A 87 -7.915 -2.116 -8.249 1.00 1.00 C ATOM 1472 OG1 THR A 87 -9.253 -1.645 -8.115 1.00 1.00 O ATOM 1473 CG2 THR A 87 -7.875 -3.253 -9.274 1.00 1.00 C ATOM 0 H THR A 87 -8.369 -0.909 -6.074 1.00 1.00 H new ATOM 0 HA THR A 87 -7.731 -3.660 -6.756 1.00 1.00 H new ATOM 0 HB THR A 87 -7.280 -1.297 -8.585 1.00 1.00 H new ATOM 0 HG1 THR A 87 -9.573 -1.318 -8.982 1.00 1.00 H new ATOM 0 HG21 THR A 87 -8.239 -2.890 -10.235 1.00 1.00 H new ATOM 0 HG22 THR A 87 -6.850 -3.607 -9.385 1.00 1.00 H new ATOM 0 HG23 THR A 87 -8.507 -4.073 -8.933 1.00 1.00 H new ATOM 1481 N GLN A 88 -5.296 -1.567 -6.241 1.00 1.00 N ATOM 1482 CA GLN A 88 -3.807 -1.449 -6.173 1.00 1.00 C ATOM 1483 C GLN A 88 -3.264 -2.384 -5.085 1.00 1.00 C ATOM 1484 O GLN A 88 -2.318 -3.117 -5.308 1.00 1.00 O ATOM 1485 CB GLN A 88 -3.427 -0.003 -5.834 1.00 1.00 C ATOM 1486 CG GLN A 88 -2.449 0.534 -6.882 1.00 1.00 C ATOM 1487 CD GLN A 88 -2.032 1.959 -6.505 1.00 1.00 C ATOM 1488 OE1 GLN A 88 -0.913 2.186 -6.090 1.00 1.00 O ATOM 1489 NE2 GLN A 88 -2.891 2.935 -6.632 1.00 1.00 N ATOM 0 H GLN A 88 -5.807 -0.821 -5.769 1.00 1.00 H new ATOM 0 HA GLN A 88 -3.378 -1.726 -7.136 1.00 1.00 H new ATOM 0 HB2 GLN A 88 -4.321 0.620 -5.804 1.00 1.00 H new ATOM 0 HB3 GLN A 88 -2.974 0.041 -4.844 1.00 1.00 H new ATOM 0 HG2 GLN A 88 -1.572 -0.110 -6.941 1.00 1.00 H new ATOM 0 HG3 GLN A 88 -2.915 0.528 -7.867 1.00 1.00 H new ATOM 0 HE21 GLN A 88 -3.831 2.745 -6.980 1.00 1.00 H new ATOM 0 HE22 GLN A 88 -2.622 3.887 -6.383 1.00 1.00 H new ATOM 1498 N VAL A 89 -3.855 -2.355 -3.908 1.00 1.00 N ATOM 1499 CA VAL A 89 -3.376 -3.232 -2.792 1.00 1.00 C ATOM 1500 C VAL A 89 -3.598 -4.712 -3.145 1.00 1.00 C ATOM 1501 O VAL A 89 -2.790 -5.555 -2.811 1.00 1.00 O ATOM 1502 CB VAL A 89 -4.123 -2.888 -1.495 1.00 1.00 C ATOM 1503 CG1 VAL A 89 -3.594 -3.761 -0.357 1.00 1.00 C ATOM 1504 CG2 VAL A 89 -3.891 -1.415 -1.138 1.00 1.00 C ATOM 0 H VAL A 89 -4.650 -1.759 -3.675 1.00 1.00 H new ATOM 0 HA VAL A 89 -2.310 -3.060 -2.646 1.00 1.00 H new ATOM 0 HB VAL A 89 -5.188 -3.067 -1.639 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -4.123 -3.518 0.564 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.753 -4.812 -0.600 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -2.528 -3.577 -0.222 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -4.423 -1.176 -0.217 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -2.825 -1.238 -0.998 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -4.260 -0.782 -1.945 1.00 1.00 H new ATOM 1514 N GLU A 90 -4.677 -5.039 -3.821 1.00 1.00 N ATOM 1515 CA GLU A 90 -4.920 -6.472 -4.193 1.00 1.00 C ATOM 1516 C GLU A 90 -3.831 -6.935 -5.174 1.00 1.00 C ATOM 1517 O GLU A 90 -3.412 -8.078 -5.147 1.00 1.00 O ATOM 1518 CB GLU A 90 -6.307 -6.629 -4.834 1.00 1.00 C ATOM 1519 CG GLU A 90 -6.406 -5.778 -6.104 1.00 1.00 C ATOM 1520 CD GLU A 90 -7.703 -6.106 -6.850 1.00 1.00 C ATOM 1521 OE1 GLU A 90 -8.758 -5.725 -6.365 1.00 1.00 O ATOM 1522 OE2 GLU A 90 -7.620 -6.729 -7.896 1.00 1.00 O ATOM 0 H GLU A 90 -5.394 -4.382 -4.129 1.00 1.00 H new ATOM 0 HA GLU A 90 -4.884 -7.087 -3.293 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -6.487 -7.677 -5.075 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -7.079 -6.328 -4.125 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -6.382 -4.719 -5.846 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -5.547 -5.968 -6.748 1.00 1.00 H new ATOM 1529 N TRP A 91 -3.367 -6.050 -6.032 1.00 1.00 N ATOM 1530 CA TRP A 91 -2.300 -6.415 -7.016 1.00 1.00 C ATOM 1531 C TRP A 91 -1.005 -6.746 -6.266 1.00 1.00 C ATOM 1532 O TRP A 91 -0.445 -7.817 -6.420 1.00 1.00 O ATOM 1533 CB TRP A 91 -2.052 -5.227 -7.955 1.00 1.00 C ATOM 1534 CG TRP A 91 -2.742 -5.460 -9.262 1.00 1.00 C ATOM 1535 CD1 TRP A 91 -4.045 -5.792 -9.409 1.00 1.00 C ATOM 1536 CD2 TRP A 91 -2.186 -5.378 -10.606 1.00 1.00 C ATOM 1537 NE1 TRP A 91 -4.324 -5.924 -10.756 1.00 1.00 N ATOM 1538 CE2 TRP A 91 -3.209 -5.678 -11.535 1.00 1.00 C ATOM 1539 CE3 TRP A 91 -0.906 -5.077 -11.102 1.00 1.00 C ATOM 1540 CZ2 TRP A 91 -2.971 -5.679 -12.909 1.00 1.00 C ATOM 1541 CZ3 TRP A 91 -0.662 -5.077 -12.485 1.00 1.00 C ATOM 1542 CH2 TRP A 91 -1.692 -5.378 -13.386 1.00 1.00 C ATOM 0 H TRP A 91 -3.687 -5.083 -6.090 1.00 1.00 H new ATOM 0 HA TRP A 91 -2.618 -7.283 -7.594 1.00 1.00 H new ATOM 0 HB2 TRP A 91 -2.420 -4.308 -7.498 1.00 1.00 H new ATOM 0 HB3 TRP A 91 -0.982 -5.097 -8.117 1.00 1.00 H new ATOM 0 HD1 TRP A 91 -4.752 -5.931 -8.605 1.00 1.00 H new ATOM 0 HE1 TRP A 91 -5.240 -6.172 -11.129 1.00 1.00 H new ATOM 0 HE3 TRP A 91 -0.105 -4.844 -10.416 1.00 1.00 H new ATOM 0 HZ2 TRP A 91 -3.769 -5.911 -13.599 1.00 1.00 H new ATOM 0 HZ3 TRP A 91 0.325 -4.844 -12.856 1.00 1.00 H new ATOM 0 HH2 TRP A 91 -1.498 -5.377 -14.448 1.00 1.00 H new ATOM 1553 N LEU A 92 -0.533 -5.829 -5.452 1.00 1.00 N ATOM 1554 CA LEU A 92 0.726 -6.064 -4.671 1.00 1.00 C ATOM 1555 C LEU A 92 0.538 -7.258 -3.720 1.00 1.00 C ATOM 1556 O LEU A 92 1.462 -8.012 -3.476 1.00 1.00 O ATOM 1557 CB LEU A 92 1.091 -4.805 -3.864 1.00 1.00 C ATOM 1558 CG LEU A 92 -0.141 -4.257 -3.124 1.00 1.00 C ATOM 1559 CD1 LEU A 92 -0.177 -4.798 -1.692 1.00 1.00 C ATOM 1560 CD2 LEU A 92 -0.071 -2.726 -3.091 1.00 1.00 C ATOM 0 H LEU A 92 -0.970 -4.921 -5.294 1.00 1.00 H new ATOM 0 HA LEU A 92 1.536 -6.286 -5.366 1.00 1.00 H new ATOM 0 HB2 LEU A 92 1.877 -5.042 -3.147 1.00 1.00 H new ATOM 0 HB3 LEU A 92 1.489 -4.042 -4.532 1.00 1.00 H new ATOM 0 HG LEU A 92 -1.044 -4.574 -3.646 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -1.053 -4.404 -1.176 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -0.229 -5.887 -1.715 1.00 1.00 H new ATOM 0 HD13 LEU A 92 0.725 -4.489 -1.163 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -0.942 -2.333 -2.567 1.00 1.00 H new ATOM 0 HD22 LEU A 92 0.835 -2.414 -2.572 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -0.056 -2.340 -4.110 1.00 1.00 H new ATOM 1572 N LYS A 93 -0.653 -7.432 -3.188 1.00 1.00 N ATOM 1573 CA LYS A 93 -0.919 -8.575 -2.257 1.00 1.00 C ATOM 1574 C LYS A 93 -0.684 -9.902 -2.994 1.00 1.00 C ATOM 1575 O LYS A 93 0.030 -10.772 -2.516 1.00 1.00 O ATOM 1576 CB LYS A 93 -2.373 -8.502 -1.775 1.00 1.00 C ATOM 1577 CG LYS A 93 -2.437 -7.748 -0.443 1.00 1.00 C ATOM 1578 CD LYS A 93 -3.866 -7.252 -0.198 1.00 1.00 C ATOM 1579 CE LYS A 93 -4.589 -8.210 0.755 1.00 1.00 C ATOM 1580 NZ LYS A 93 -4.434 -7.732 2.159 1.00 1.00 N ATOM 0 H LYS A 93 -1.455 -6.826 -3.362 1.00 1.00 H new ATOM 0 HA LYS A 93 -0.247 -8.517 -1.401 1.00 1.00 H new ATOM 0 HB2 LYS A 93 -2.988 -7.997 -2.520 1.00 1.00 H new ATOM 0 HB3 LYS A 93 -2.778 -9.507 -1.655 1.00 1.00 H new ATOM 0 HG2 LYS A 93 -2.124 -8.402 0.371 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -1.747 -6.905 -0.458 1.00 1.00 H new ATOM 0 HD2 LYS A 93 -3.845 -6.248 0.227 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -4.406 -7.187 -1.143 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -5.646 -8.269 0.495 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -4.180 -9.215 0.655 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -4.925 -8.384 2.804 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -3.424 -7.698 2.405 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -4.844 -6.781 2.249 1.00 1.00 H new ATOM 1594 N ARG A 94 -1.270 -10.051 -4.164 1.00 1.00 N ATOM 1595 CA ARG A 94 -1.086 -11.307 -4.961 1.00 1.00 C ATOM 1596 C ARG A 94 0.408 -11.541 -5.211 1.00 1.00 C ATOM 1597 O ARG A 94 0.880 -12.663 -5.188 1.00 1.00 O ATOM 1598 CB ARG A 94 -1.806 -11.165 -6.306 1.00 1.00 C ATOM 1599 CG ARG A 94 -3.319 -11.258 -6.093 1.00 1.00 C ATOM 1600 CD ARG A 94 -3.804 -12.660 -6.467 1.00 1.00 C ATOM 1601 NE ARG A 94 -5.159 -12.570 -7.080 1.00 1.00 N ATOM 1602 CZ ARG A 94 -6.213 -12.921 -6.394 1.00 1.00 C ATOM 1603 NH1 ARG A 94 -6.801 -12.055 -5.610 1.00 1.00 N ATOM 1604 NH2 ARG A 94 -6.679 -14.140 -6.491 1.00 1.00 N ATOM 0 H ARG A 94 -1.870 -9.351 -4.601 1.00 1.00 H new ATOM 0 HA ARG A 94 -1.500 -12.151 -4.409 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -1.552 -10.210 -6.767 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -1.477 -11.947 -6.990 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -3.564 -11.043 -5.053 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -3.829 -10.511 -6.702 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -3.107 -13.123 -7.166 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -3.835 -13.294 -5.581 1.00 1.00 H new ATOM 0 HE ARG A 94 -5.263 -12.234 -8.037 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -6.436 -11.105 -5.535 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -7.624 -12.329 -5.074 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -6.219 -14.815 -7.102 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -7.502 -14.415 -5.956 1.00 1.00 H new ATOM 1618 N LYS A 95 1.149 -10.480 -5.443 1.00 1.00 N ATOM 1619 CA LYS A 95 2.617 -10.605 -5.691 1.00 1.00 C ATOM 1620 C LYS A 95 3.318 -11.155 -4.441 1.00 1.00 C ATOM 1621 O LYS A 95 4.293 -11.878 -4.548 1.00 1.00 O ATOM 1622 CB LYS A 95 3.197 -9.232 -6.042 1.00 1.00 C ATOM 1623 CG LYS A 95 2.761 -8.842 -7.456 1.00 1.00 C ATOM 1624 CD LYS A 95 3.180 -7.397 -7.741 1.00 1.00 C ATOM 1625 CE LYS A 95 3.555 -7.257 -9.218 1.00 1.00 C ATOM 1626 NZ LYS A 95 4.066 -5.881 -9.477 1.00 1.00 N ATOM 0 H LYS A 95 0.792 -9.525 -5.471 1.00 1.00 H new ATOM 0 HA LYS A 95 2.780 -11.292 -6.521 1.00 1.00 H new ATOM 0 HB2 LYS A 95 2.854 -8.486 -5.325 1.00 1.00 H new ATOM 0 HB3 LYS A 95 4.285 -9.258 -5.979 1.00 1.00 H new ATOM 0 HG2 LYS A 95 3.214 -9.513 -8.186 1.00 1.00 H new ATOM 0 HG3 LYS A 95 1.680 -8.945 -7.556 1.00 1.00 H new ATOM 0 HD2 LYS A 95 2.365 -6.716 -7.495 1.00 1.00 H new ATOM 0 HD3 LYS A 95 4.027 -7.122 -7.112 1.00 1.00 H new ATOM 0 HE2 LYS A 95 4.314 -7.993 -9.482 1.00 1.00 H new ATOM 0 HE3 LYS A 95 2.686 -7.457 -9.845 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 4.320 -5.788 -10.481 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 3.329 -5.187 -9.241 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 4.906 -5.707 -8.890 1.00 1.00 H new ATOM 1640 N GLY A 96 2.833 -10.824 -3.261 1.00 1.00 N ATOM 1641 CA GLY A 96 3.475 -11.336 -2.014 1.00 1.00 C ATOM 1642 C GLY A 96 3.322 -12.856 -1.958 1.00 1.00 C ATOM 1643 O GLY A 96 4.259 -13.571 -1.651 1.00 1.00 O ATOM 0 H GLY A 96 2.022 -10.223 -3.115 1.00 1.00 H new ATOM 0 HA2 GLY A 96 4.530 -11.064 -1.996 1.00 1.00 H new ATOM 0 HA3 GLY A 96 3.013 -10.879 -1.139 1.00 1.00 H new ATOM 1647 N TYR A 97 2.144 -13.349 -2.263 1.00 1.00 N ATOM 1648 CA TYR A 97 1.907 -14.832 -2.241 1.00 1.00 C ATOM 1649 C TYR A 97 2.746 -15.505 -3.336 1.00 1.00 C ATOM 1650 O TYR A 97 3.273 -16.586 -3.140 1.00 1.00 O ATOM 1651 CB TYR A 97 0.419 -15.144 -2.478 1.00 1.00 C ATOM 1652 CG TYR A 97 -0.455 -14.084 -1.839 1.00 1.00 C ATOM 1653 CD1 TYR A 97 -0.129 -13.561 -0.580 1.00 1.00 C ATOM 1654 CD2 TYR A 97 -1.583 -13.617 -2.519 1.00 1.00 C ATOM 1655 CE1 TYR A 97 -0.933 -12.573 -0.004 1.00 1.00 C ATOM 1656 CE2 TYR A 97 -2.388 -12.630 -1.944 1.00 1.00 C ATOM 1657 CZ TYR A 97 -2.064 -12.106 -0.686 1.00 1.00 C ATOM 1658 OH TYR A 97 -2.864 -11.137 -0.116 1.00 1.00 O ATOM 0 H TYR A 97 1.334 -12.788 -2.527 1.00 1.00 H new ATOM 0 HA TYR A 97 2.198 -15.216 -1.263 1.00 1.00 H new ATOM 0 HB2 TYR A 97 0.218 -15.193 -3.548 1.00 1.00 H new ATOM 0 HB3 TYR A 97 0.176 -16.122 -2.063 1.00 1.00 H new ATOM 0 HD1 TYR A 97 0.743 -13.921 -0.055 1.00 1.00 H new ATOM 0 HD2 TYR A 97 -1.833 -14.019 -3.490 1.00 1.00 H new ATOM 0 HE1 TYR A 97 -0.682 -12.170 0.966 1.00 1.00 H new ATOM 0 HE2 TYR A 97 -3.260 -12.271 -2.470 1.00 1.00 H new ATOM 0 HH TYR A 97 -3.721 -11.101 -0.589 1.00 1.00 H new ATOM 1668 N LEU A 98 2.877 -14.869 -4.481 1.00 1.00 N ATOM 1669 CA LEU A 98 3.684 -15.454 -5.594 1.00 1.00 C ATOM 1670 C LEU A 98 5.136 -15.624 -5.129 1.00 1.00 C ATOM 1671 O LEU A 98 5.741 -16.662 -5.322 1.00 1.00 O ATOM 1672 CB LEU A 98 3.626 -14.508 -6.808 1.00 1.00 C ATOM 1673 CG LEU A 98 4.363 -15.117 -8.011 1.00 1.00 C ATOM 1674 CD1 LEU A 98 5.866 -14.863 -7.875 1.00 1.00 C ATOM 1675 CD2 LEU A 98 4.102 -16.625 -8.080 1.00 1.00 C ATOM 0 H LEU A 98 2.455 -13.964 -4.689 1.00 1.00 H new ATOM 0 HA LEU A 98 3.283 -16.427 -5.877 1.00 1.00 H new ATOM 0 HB2 LEU A 98 2.587 -14.313 -7.073 1.00 1.00 H new ATOM 0 HB3 LEU A 98 4.074 -13.549 -6.549 1.00 1.00 H new ATOM 0 HG LEU A 98 3.996 -14.650 -8.925 1.00 1.00 H new ATOM 0 HD11 LEU A 98 6.387 -15.296 -8.729 1.00 1.00 H new ATOM 0 HD12 LEU A 98 6.052 -13.790 -7.842 1.00 1.00 H new ATOM 0 HD13 LEU A 98 6.231 -15.323 -6.957 1.00 1.00 H new ATOM 0 HD21 LEU A 98 4.629 -17.047 -8.936 1.00 1.00 H new ATOM 0 HD22 LEU A 98 4.459 -17.098 -7.165 1.00 1.00 H new ATOM 0 HD23 LEU A 98 3.032 -16.805 -8.188 1.00 1.00 H new ATOM 1687 N ASP A 99 5.690 -14.610 -4.510 1.00 1.00 N ATOM 1688 CA ASP A 99 7.100 -14.693 -4.015 1.00 1.00 C ATOM 1689 C ASP A 99 7.205 -15.752 -2.905 1.00 1.00 C ATOM 1690 O ASP A 99 8.209 -16.430 -2.784 1.00 1.00 O ATOM 1691 CB ASP A 99 7.526 -13.328 -3.462 1.00 1.00 C ATOM 1692 CG ASP A 99 9.039 -13.316 -3.218 1.00 1.00 C ATOM 1693 OD1 ASP A 99 9.772 -13.067 -4.162 1.00 1.00 O ATOM 1694 OD2 ASP A 99 9.439 -13.555 -2.089 1.00 1.00 O ATOM 0 H ASP A 99 5.223 -13.722 -4.325 1.00 1.00 H new ATOM 0 HA ASP A 99 7.754 -14.975 -4.840 1.00 1.00 H new ATOM 0 HB2 ASP A 99 7.256 -12.540 -4.165 1.00 1.00 H new ATOM 0 HB3 ASP A 99 6.997 -13.121 -2.532 1.00 1.00 H new ATOM 1699 N GLU A 100 6.177 -15.891 -2.094 1.00 1.00 N ATOM 1700 CA GLU A 100 6.206 -16.898 -0.983 1.00 1.00 C ATOM 1701 C GLU A 100 6.386 -18.312 -1.555 1.00 1.00 C ATOM 1702 O GLU A 100 7.302 -19.021 -1.180 1.00 1.00 O ATOM 1703 CB GLU A 100 4.895 -16.827 -0.193 1.00 1.00 C ATOM 1704 CG GLU A 100 4.983 -15.714 0.855 1.00 1.00 C ATOM 1705 CD GLU A 100 3.573 -15.298 1.290 1.00 1.00 C ATOM 1706 OE1 GLU A 100 2.924 -16.080 1.967 1.00 1.00 O ATOM 1707 OE2 GLU A 100 3.166 -14.201 0.942 1.00 1.00 O ATOM 0 H GLU A 100 5.317 -15.347 -2.156 1.00 1.00 H new ATOM 0 HA GLU A 100 7.044 -16.674 -0.322 1.00 1.00 H new ATOM 0 HB2 GLU A 100 4.062 -16.638 -0.869 1.00 1.00 H new ATOM 0 HB3 GLU A 100 4.700 -17.783 0.293 1.00 1.00 H new ATOM 0 HG2 GLU A 100 5.553 -16.059 1.718 1.00 1.00 H new ATOM 0 HG3 GLU A 100 5.515 -14.856 0.444 1.00 1.00 H new ATOM 1714 N LEU A 101 5.524 -18.723 -2.461 1.00 1.00 N ATOM 1715 CA LEU A 101 5.652 -20.091 -3.060 1.00 1.00 C ATOM 1716 C LEU A 101 5.342 -20.044 -4.564 1.00 1.00 C ATOM 1717 O LEU A 101 4.756 -19.097 -5.057 1.00 1.00 O ATOM 1718 CB LEU A 101 4.716 -21.104 -2.354 1.00 1.00 C ATOM 1719 CG LEU A 101 3.307 -20.531 -2.075 1.00 1.00 C ATOM 1720 CD1 LEU A 101 3.364 -19.504 -0.942 1.00 1.00 C ATOM 1721 CD2 LEU A 101 2.724 -19.879 -3.334 1.00 1.00 C ATOM 0 H LEU A 101 4.741 -18.170 -2.809 1.00 1.00 H new ATOM 0 HA LEU A 101 6.680 -20.425 -2.917 1.00 1.00 H new ATOM 0 HB2 LEU A 101 4.623 -21.997 -2.972 1.00 1.00 H new ATOM 0 HB3 LEU A 101 5.169 -21.414 -1.412 1.00 1.00 H new ATOM 0 HG LEU A 101 2.661 -21.357 -1.778 1.00 1.00 H new ATOM 0 HD11 LEU A 101 2.365 -19.110 -0.758 1.00 1.00 H new ATOM 0 HD12 LEU A 101 3.739 -19.982 -0.037 1.00 1.00 H new ATOM 0 HD13 LEU A 101 4.029 -18.688 -1.224 1.00 1.00 H new ATOM 0 HD21 LEU A 101 1.733 -19.483 -3.113 1.00 1.00 H new ATOM 0 HD22 LEU A 101 3.375 -19.067 -3.658 1.00 1.00 H new ATOM 0 HD23 LEU A 101 2.649 -20.623 -4.127 1.00 1.00 H new ATOM 1733 N LEU A 102 5.744 -21.069 -5.290 1.00 1.00 N ATOM 1734 CA LEU A 102 5.499 -21.128 -6.771 1.00 1.00 C ATOM 1735 C LEU A 102 6.451 -20.164 -7.505 1.00 1.00 C ATOM 1736 O LEU A 102 7.266 -20.647 -8.274 1.00 1.00 O ATOM 1737 CB LEU A 102 4.038 -20.767 -7.083 1.00 1.00 C ATOM 1738 CG LEU A 102 3.651 -21.333 -8.452 1.00 1.00 C ATOM 1739 CD1 LEU A 102 2.531 -22.362 -8.284 1.00 1.00 C ATOM 1740 CD2 LEU A 102 3.166 -20.196 -9.356 1.00 1.00 C ATOM 1741 OXT LEU A 102 6.353 -18.965 -7.288 1.00 1.00 O ATOM 0 H LEU A 102 6.238 -21.877 -4.911 1.00 1.00 H new ATOM 0 HA LEU A 102 5.691 -22.144 -7.117 1.00 1.00 H new ATOM 0 HB2 LEU A 102 3.381 -21.170 -6.312 1.00 1.00 H new ATOM 0 HB3 LEU A 102 3.911 -19.684 -7.076 1.00 1.00 H new ATOM 0 HG LEU A 102 4.519 -21.813 -8.903 1.00 1.00 H new ATOM 0 HD11 LEU A 102 2.257 -22.764 -9.259 1.00 1.00 H new ATOM 0 HD12 LEU A 102 2.875 -23.172 -7.641 1.00 1.00 H new ATOM 0 HD13 LEU A 102 1.662 -21.884 -7.831 1.00 1.00 H new ATOM 0 HD21 LEU A 102 2.890 -20.599 -10.331 1.00 1.00 H new ATOM 0 HD22 LEU A 102 2.298 -19.716 -8.903 1.00 1.00 H new ATOM 0 HD23 LEU A 102 3.963 -19.463 -9.478 1.00 1.00 H new TER 1753 LEU A 102