USER MOD reduce.3.24.130724 H: found=0, std=0, add=1235, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1235 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 43 ASN : amide:sc= 0.685 K(o=0.54,f=-0.78) USER MOD Set 1.2: A 113 ASN : amide:sc= -0.148 K(o=0.54,f=-2) USER MOD Set 2.1: A 99 THR OG1 : rot 180:sc= -0.0829 USER MOD Set 2.2: A 103 GLN : amide:sc= -0.0495 X(o=-0.13,f=-0.5) USER MOD Single : A 4 SER OG : rot 180:sc= -0.134 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00342) USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= 0.542 (180deg=0.483) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.141 K(o=-0.14,f=-3.4!) USER MOD Single : A 24 ASN : amide:sc= -0.525 X(o=-0.53,f=-0.051) USER MOD Single : A 26 GLN : amide:sc= -0.737 X(o=-0.74,f=-0.74) USER MOD Single : A 31 ASN : amide:sc= 0.786 K(o=0.79,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 61 TYR OH : rot -37:sc= 0.881 USER MOD Single : A 64 LYS NZ :NH3+ -129:sc= 1.19 (180deg=-0.34) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.082 USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.19) USER MOD Single : A 72 THR OG1 : rot 110:sc= 0.162 USER MOD Single : A 73 LYS NZ :NH3+ -165:sc= 0.26 (180deg=0.216) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -1.3 F(o=-2.3,f=-1.3) USER MOD Single : A 78 ASN : amide:sc= -3.21 K(o=-3.2,f=-4.7!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0.686 K(o=0.69,f=0) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.257 K(o=-0.26,f=-3.8!) USER MOD Single : A 96 LYS NZ :NH3+ -167:sc= 0.751 (180deg=0.632) USER MOD Single : A 100 LYS NZ :NH3+ -145:sc= 0.747 (180deg=-0.0671) USER MOD Single : A 101 THR OG1 : rot -164:sc= 1.75 USER MOD Single : A 106 GLN : amide:sc= -0.568 K(o=-0.57,f=-1.4) USER MOD Single : A 107 SER OG : rot -140:sc= 0 USER MOD Single : A 116 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 119 HIS : no HD1:sc= -0.543 X(o=-0.54,f=-0.069) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ -176:sc= -0.266 (180deg=-0.266) USER MOD Single : A 134 LYS NZ :NH3+ 142:sc= 1.18 (180deg=-0.282) USER MOD Single : A 135 LYS NZ :NH3+ -131:sc= 1.21 (180deg=-0.00982) USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 ASN : amide:sc= -0.145 K(o=-0.14,f=-1.5) USER MOD Single : A 144 THR OG1 : rot 82:sc= 0.564 USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 LYS NZ :NH3+ 152:sc= 1.26 (180deg=0.769) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N ALA A 3 -19.547 -0.932 8.061 1.00 0.46 N ATOM 31 CA ALA A 3 -18.430 -0.580 7.202 1.00 0.37 C ATOM 32 C ALA A 3 -18.319 -1.606 6.078 1.00 0.31 C ATOM 33 O ALA A 3 -18.174 -1.240 4.919 1.00 0.30 O ATOM 34 CB ALA A 3 -17.144 -0.536 8.033 1.00 0.41 C ATOM 0 HA ALA A 3 -18.589 0.404 6.761 1.00 0.37 H new ATOM 0 HB1 ALA A 3 -16.304 -0.272 7.390 1.00 0.41 H new ATOM 0 HB2 ALA A 3 -17.246 0.210 8.822 1.00 0.41 H new ATOM 0 HB3 ALA A 3 -16.966 -1.514 8.479 1.00 0.41 H new ATOM 40 N SER A 4 -18.411 -2.891 6.426 1.00 0.33 N ATOM 41 CA SER A 4 -18.232 -4.033 5.539 1.00 0.37 C ATOM 42 C SER A 4 -19.006 -3.866 4.248 1.00 0.39 C ATOM 43 O SER A 4 -18.449 -3.977 3.169 1.00 0.45 O ATOM 44 CB SER A 4 -18.725 -5.274 6.266 1.00 0.37 C ATOM 45 OG SER A 4 -20.067 -5.068 6.637 1.00 1.18 O ATOM 0 H SER A 4 -18.623 -3.173 7.383 1.00 0.33 H new ATOM 0 HA SER A 4 -17.177 -4.119 5.281 1.00 0.37 H new ATOM 0 HB2 SER A 4 -18.640 -6.150 5.622 1.00 0.37 H new ATOM 0 HB3 SER A 4 -18.113 -5.465 7.147 1.00 0.37 H new ATOM 0 HG SER A 4 -20.402 -5.860 7.106 1.00 1.18 H new ATOM 51 N ARG A 5 -20.302 -3.592 4.356 1.00 0.54 N ATOM 52 CA ARG A 5 -21.146 -3.366 3.189 1.00 0.56 C ATOM 53 C ARG A 5 -20.551 -2.308 2.260 1.00 0.49 C ATOM 54 O ARG A 5 -20.506 -2.504 1.047 1.00 0.57 O ATOM 55 CB ARG A 5 -22.561 -2.989 3.633 1.00 0.69 C ATOM 56 CG ARG A 5 -22.555 -2.088 4.873 1.00 1.41 C ATOM 57 CD ARG A 5 -23.673 -1.041 4.816 1.00 2.42 C ATOM 58 NE ARG A 5 -24.346 -0.880 6.110 1.00 3.72 N ATOM 59 CZ ARG A 5 -25.342 -1.661 6.550 1.00 3.87 C ATOM 60 NH1 ARG A 5 -25.957 -1.381 7.699 1.00 5.35 N ATOM 61 NH2 ARG A 5 -25.721 -2.723 5.837 1.00 3.14 N ATOM 0 H ARG A 5 -20.793 -3.521 5.247 1.00 0.54 H new ATOM 0 HA ARG A 5 -21.197 -4.293 2.618 1.00 0.56 H new ATOM 0 HB2 ARG A 5 -23.073 -2.479 2.817 1.00 0.69 H new ATOM 0 HB3 ARG A 5 -23.127 -3.896 3.847 1.00 0.69 H new ATOM 0 HG2 ARG A 5 -22.673 -2.699 5.768 1.00 1.41 H new ATOM 0 HG3 ARG A 5 -21.590 -1.587 4.955 1.00 1.41 H new ATOM 0 HD2 ARG A 5 -23.257 -0.084 4.503 1.00 2.42 H new ATOM 0 HD3 ARG A 5 -24.404 -1.333 4.062 1.00 2.42 H new ATOM 0 HE ARG A 5 -24.034 -0.121 6.716 1.00 3.72 H new ATOM 0 HH11 ARG A 5 -25.670 -0.570 8.247 1.00 5.35 H new ATOM 0 HH12 ARG A 5 -26.715 -1.978 8.031 1.00 5.35 H new ATOM 0 HH21 ARG A 5 -25.253 -2.940 4.957 1.00 3.14 H new ATOM 0 HH22 ARG A 5 -26.479 -3.318 6.172 1.00 3.14 H new ATOM 75 N ARG A 6 -20.104 -1.175 2.806 1.00 0.40 N ATOM 76 CA ARG A 6 -19.522 -0.124 1.985 1.00 0.37 C ATOM 77 C ARG A 6 -18.252 -0.641 1.329 1.00 0.31 C ATOM 78 O ARG A 6 -18.032 -0.388 0.155 1.00 0.40 O ATOM 79 CB ARG A 6 -19.264 1.147 2.808 1.00 0.39 C ATOM 80 CG ARG A 6 -20.588 1.682 3.367 1.00 0.50 C ATOM 81 CD ARG A 6 -20.432 3.110 3.899 1.00 1.07 C ATOM 82 NE ARG A 6 -21.734 3.702 4.250 1.00 2.19 N ATOM 83 CZ ARG A 6 -22.645 4.157 3.377 1.00 2.90 C ATOM 84 NH1 ARG A 6 -23.796 4.666 3.817 1.00 4.57 N ATOM 85 NH2 ARG A 6 -22.409 4.097 2.065 1.00 2.77 N ATOM 0 H ARG A 6 -20.135 -0.968 3.804 1.00 0.40 H new ATOM 0 HA ARG A 6 -20.229 0.151 1.202 1.00 0.37 H new ATOM 0 HB2 ARG A 6 -18.576 0.929 3.625 1.00 0.39 H new ATOM 0 HB3 ARG A 6 -18.789 1.905 2.185 1.00 0.39 H new ATOM 0 HG2 ARG A 6 -21.348 1.664 2.586 1.00 0.50 H new ATOM 0 HG3 ARG A 6 -20.937 1.030 4.167 1.00 0.50 H new ATOM 0 HD2 ARG A 6 -19.786 3.103 4.777 1.00 1.07 H new ATOM 0 HD3 ARG A 6 -19.941 3.728 3.147 1.00 1.07 H new ATOM 0 HE ARG A 6 -21.962 3.772 5.242 1.00 2.19 H new ATOM 0 HH11 ARG A 6 -23.985 4.710 4.818 1.00 4.57 H new ATOM 0 HH12 ARG A 6 -24.488 5.012 3.152 1.00 4.57 H new ATOM 0 HH21 ARG A 6 -21.533 3.704 1.722 1.00 2.77 H new ATOM 0 HH22 ARG A 6 -23.105 4.444 1.405 1.00 2.77 H new ATOM 99 N LEU A 7 -17.443 -1.391 2.072 1.00 0.27 N ATOM 100 CA LEU A 7 -16.181 -1.942 1.609 1.00 0.25 C ATOM 101 C LEU A 7 -16.406 -2.960 0.501 1.00 0.24 C ATOM 102 O LEU A 7 -15.583 -3.063 -0.393 1.00 0.26 O ATOM 103 CB LEU A 7 -15.434 -2.583 2.785 1.00 0.26 C ATOM 104 CG LEU A 7 -15.001 -1.511 3.789 1.00 0.27 C ATOM 105 CD1 LEU A 7 -14.789 -2.132 5.164 1.00 0.32 C ATOM 106 CD2 LEU A 7 -13.716 -0.829 3.338 1.00 0.43 C ATOM 0 H LEU A 7 -17.657 -1.637 3.039 1.00 0.27 H new ATOM 0 HA LEU A 7 -15.576 -1.133 1.201 1.00 0.25 H new ATOM 0 HB2 LEU A 7 -16.076 -3.314 3.277 1.00 0.26 H new ATOM 0 HB3 LEU A 7 -14.560 -3.122 2.419 1.00 0.26 H new ATOM 0 HG LEU A 7 -15.793 -0.764 3.845 1.00 0.27 H new ATOM 0 HD11 LEU A 7 -14.481 -1.359 5.869 1.00 0.32 H new ATOM 0 HD12 LEU A 7 -15.719 -2.585 5.506 1.00 0.32 H new ATOM 0 HD13 LEU A 7 -14.014 -2.896 5.103 1.00 0.32 H new ATOM 0 HD21 LEU A 7 -13.430 -0.072 4.068 1.00 0.43 H new ATOM 0 HD22 LEU A 7 -12.921 -1.570 3.253 1.00 0.43 H new ATOM 0 HD23 LEU A 7 -13.876 -0.356 2.369 1.00 0.43 H new ATOM 118 N MET A 8 -17.500 -3.714 0.540 1.00 0.27 N ATOM 119 CA MET A 8 -17.839 -4.678 -0.492 1.00 0.29 C ATOM 120 C MET A 8 -18.126 -3.939 -1.792 1.00 0.27 C ATOM 121 O MET A 8 -17.564 -4.287 -2.827 1.00 0.27 O ATOM 122 CB MET A 8 -19.048 -5.500 -0.026 1.00 0.35 C ATOM 123 CG MET A 8 -19.502 -6.517 -1.075 1.00 0.49 C ATOM 124 SD MET A 8 -21.147 -7.194 -0.739 1.00 1.60 S ATOM 125 CE MET A 8 -21.469 -7.951 -2.353 1.00 2.15 C ATOM 0 H MET A 8 -18.181 -3.670 1.298 1.00 0.27 H new ATOM 0 HA MET A 8 -17.010 -5.363 -0.671 1.00 0.29 H new ATOM 0 HB2 MET A 8 -18.795 -6.022 0.897 1.00 0.35 H new ATOM 0 HB3 MET A 8 -19.874 -4.827 0.205 1.00 0.35 H new ATOM 0 HG2 MET A 8 -19.504 -6.042 -2.056 1.00 0.49 H new ATOM 0 HG3 MET A 8 -18.781 -7.333 -1.117 1.00 0.49 H new ATOM 0 HE1 MET A 8 -22.450 -8.426 -2.343 1.00 2.15 H new ATOM 0 HE2 MET A 8 -21.445 -7.183 -3.126 1.00 2.15 H new ATOM 0 HE3 MET A 8 -20.706 -8.700 -2.562 1.00 2.15 H new ATOM 135 N LYS A 9 -19.001 -2.929 -1.752 1.00 0.27 N ATOM 136 CA LYS A 9 -19.316 -2.158 -2.954 1.00 0.29 C ATOM 137 C LYS A 9 -18.044 -1.524 -3.507 1.00 0.28 C ATOM 138 O LYS A 9 -17.726 -1.704 -4.674 1.00 0.34 O ATOM 139 CB LYS A 9 -20.376 -1.086 -2.666 1.00 0.47 C ATOM 140 CG LYS A 9 -21.799 -1.582 -2.938 1.00 1.64 C ATOM 141 CD LYS A 9 -22.218 -2.751 -2.039 1.00 2.23 C ATOM 142 CE LYS A 9 -23.745 -2.897 -2.010 1.00 3.00 C ATOM 143 NZ LYS A 9 -24.309 -3.227 -3.337 1.00 4.22 N ATOM 0 H LYS A 9 -19.497 -2.631 -0.912 1.00 0.27 H new ATOM 0 HA LYS A 9 -19.730 -2.835 -3.701 1.00 0.29 H new ATOM 0 HB2 LYS A 9 -20.297 -0.771 -1.625 1.00 0.47 H new ATOM 0 HB3 LYS A 9 -20.177 -0.208 -3.280 1.00 0.47 H new ATOM 0 HG2 LYS A 9 -22.497 -0.757 -2.797 1.00 1.64 H new ATOM 0 HG3 LYS A 9 -21.876 -1.890 -3.981 1.00 1.64 H new ATOM 0 HD2 LYS A 9 -21.767 -3.674 -2.402 1.00 2.23 H new ATOM 0 HD3 LYS A 9 -21.844 -2.590 -1.028 1.00 2.23 H new ATOM 0 HE2 LYS A 9 -24.019 -3.676 -1.299 1.00 3.00 H new ATOM 0 HE3 LYS A 9 -24.189 -1.968 -1.651 1.00 3.00 H new ATOM 0 HZ1 LYS A 9 -25.341 -3.331 -3.259 1.00 4.22 H new ATOM 0 HZ2 LYS A 9 -24.088 -2.464 -4.008 1.00 4.22 H new ATOM 0 HZ3 LYS A 9 -23.896 -4.118 -3.678 1.00 4.22 H new ATOM 157 N GLU A 10 -17.313 -0.815 -2.653 1.00 0.25 N ATOM 158 CA GLU A 10 -16.067 -0.138 -2.977 1.00 0.28 C ATOM 159 C GLU A 10 -15.085 -1.114 -3.605 1.00 0.24 C ATOM 160 O GLU A 10 -14.439 -0.783 -4.584 1.00 0.29 O ATOM 161 CB GLU A 10 -15.470 0.455 -1.695 1.00 0.37 C ATOM 162 CG GLU A 10 -16.186 1.749 -1.276 1.00 0.55 C ATOM 163 CD GLU A 10 -15.562 3.030 -1.841 1.00 1.10 C ATOM 164 OE1 GLU A 10 -14.395 2.976 -2.283 1.00 1.91 O ATOM 165 OE2 GLU A 10 -16.246 4.078 -1.752 1.00 1.64 O ATOM 0 H GLU A 10 -17.585 -0.693 -1.678 1.00 0.25 H new ATOM 0 HA GLU A 10 -16.265 0.660 -3.692 1.00 0.28 H new ATOM 0 HB2 GLU A 10 -15.540 -0.276 -0.890 1.00 0.37 H new ATOM 0 HB3 GLU A 10 -14.410 0.659 -1.848 1.00 0.37 H new ATOM 0 HG2 GLU A 10 -17.226 1.694 -1.597 1.00 0.55 H new ATOM 0 HG3 GLU A 10 -16.191 1.811 -0.188 1.00 0.55 H new ATOM 172 N LEU A 11 -14.948 -2.319 -3.056 1.00 0.21 N ATOM 173 CA LEU A 11 -13.998 -3.295 -3.555 1.00 0.21 C ATOM 174 C LEU A 11 -14.386 -3.738 -4.948 1.00 0.23 C ATOM 175 O LEU A 11 -13.527 -3.852 -5.819 1.00 0.24 O ATOM 176 CB LEU A 11 -13.932 -4.504 -2.623 1.00 0.23 C ATOM 177 CG LEU A 11 -12.762 -5.409 -3.027 1.00 0.21 C ATOM 178 CD1 LEU A 11 -12.170 -6.015 -1.762 1.00 0.29 C ATOM 179 CD2 LEU A 11 -13.198 -6.556 -3.948 1.00 0.26 C ATOM 0 H LEU A 11 -15.493 -2.640 -2.256 1.00 0.21 H new ATOM 0 HA LEU A 11 -13.014 -2.829 -3.592 1.00 0.21 H new ATOM 0 HB2 LEU A 11 -13.808 -4.173 -1.592 1.00 0.23 H new ATOM 0 HB3 LEU A 11 -14.868 -5.062 -2.669 1.00 0.23 H new ATOM 0 HG LEU A 11 -12.039 -4.799 -3.569 1.00 0.21 H new ATOM 0 HD11 LEU A 11 -11.335 -6.664 -2.026 1.00 0.29 H new ATOM 0 HD12 LEU A 11 -11.818 -5.218 -1.107 1.00 0.29 H new ATOM 0 HD13 LEU A 11 -12.933 -6.598 -1.246 1.00 0.29 H new ATOM 0 HD21 LEU A 11 -12.332 -7.166 -4.204 1.00 0.26 H new ATOM 0 HD22 LEU A 11 -13.938 -7.172 -3.437 1.00 0.26 H new ATOM 0 HD23 LEU A 11 -13.635 -6.146 -4.859 1.00 0.26 H new ATOM 191 N GLU A 12 -15.669 -4.023 -5.152 1.00 0.26 N ATOM 192 CA GLU A 12 -16.148 -4.417 -6.464 1.00 0.32 C ATOM 193 C GLU A 12 -15.815 -3.316 -7.469 1.00 0.30 C ATOM 194 O GLU A 12 -15.261 -3.601 -8.528 1.00 0.33 O ATOM 195 CB GLU A 12 -17.646 -4.744 -6.432 1.00 0.40 C ATOM 196 CG GLU A 12 -18.071 -5.225 -7.826 1.00 0.51 C ATOM 197 CD GLU A 12 -19.520 -5.702 -7.919 1.00 1.05 C ATOM 198 OE1 GLU A 12 -20.232 -5.697 -6.893 1.00 1.49 O ATOM 199 OE2 GLU A 12 -19.878 -6.073 -9.063 1.00 1.88 O ATOM 0 H GLU A 12 -16.387 -3.988 -4.429 1.00 0.26 H new ATOM 0 HA GLU A 12 -15.645 -5.332 -6.777 1.00 0.32 H new ATOM 0 HB2 GLU A 12 -17.850 -5.514 -5.688 1.00 0.40 H new ATOM 0 HB3 GLU A 12 -18.220 -3.863 -6.144 1.00 0.40 H new ATOM 0 HG2 GLU A 12 -17.923 -4.412 -8.537 1.00 0.51 H new ATOM 0 HG3 GLU A 12 -17.414 -6.039 -8.131 1.00 0.51 H new ATOM 206 N GLU A 13 -16.126 -2.067 -7.121 1.00 0.29 N ATOM 207 CA GLU A 13 -15.847 -0.888 -7.926 1.00 0.30 C ATOM 208 C GLU A 13 -14.356 -0.766 -8.222 1.00 0.27 C ATOM 209 O GLU A 13 -13.992 -0.492 -9.359 1.00 0.30 O ATOM 210 CB GLU A 13 -16.394 0.370 -7.232 1.00 0.34 C ATOM 211 CG GLU A 13 -17.787 0.699 -7.775 1.00 0.55 C ATOM 212 CD GLU A 13 -18.384 1.930 -7.090 1.00 2.03 C ATOM 213 OE1 GLU A 13 -19.064 1.741 -6.056 1.00 3.04 O ATOM 214 OE2 GLU A 13 -18.165 3.041 -7.620 1.00 3.30 O ATOM 0 H GLU A 13 -16.594 -1.846 -6.242 1.00 0.29 H new ATOM 0 HA GLU A 13 -16.355 -0.992 -8.885 1.00 0.30 H new ATOM 0 HB2 GLU A 13 -16.442 0.210 -6.155 1.00 0.34 H new ATOM 0 HB3 GLU A 13 -15.721 1.211 -7.400 1.00 0.34 H new ATOM 0 HG2 GLU A 13 -17.727 0.873 -8.849 1.00 0.55 H new ATOM 0 HG3 GLU A 13 -18.447 -0.156 -7.627 1.00 0.55 H new ATOM 221 N ILE A 14 -13.486 -0.980 -7.235 1.00 0.25 N ATOM 222 CA ILE A 14 -12.039 -0.892 -7.384 1.00 0.22 C ATOM 223 C ILE A 14 -11.597 -1.898 -8.440 1.00 0.23 C ATOM 224 O ILE A 14 -10.949 -1.550 -9.427 1.00 0.23 O ATOM 225 CB ILE A 14 -11.347 -1.104 -6.015 1.00 0.19 C ATOM 226 CG1 ILE A 14 -11.455 0.207 -5.218 1.00 0.22 C ATOM 227 CG2 ILE A 14 -9.855 -1.430 -6.176 1.00 0.19 C ATOM 228 CD1 ILE A 14 -10.845 0.082 -3.821 1.00 0.20 C ATOM 0 H ILE A 14 -13.778 -1.225 -6.289 1.00 0.25 H new ATOM 0 HA ILE A 14 -11.743 0.100 -7.724 1.00 0.22 H new ATOM 0 HB ILE A 14 -11.835 -1.938 -5.510 1.00 0.19 H new ATOM 0 HG12 ILE A 14 -10.951 1.005 -5.763 1.00 0.22 H new ATOM 0 HG13 ILE A 14 -12.503 0.493 -5.131 1.00 0.22 H new ATOM 0 HG21 ILE A 14 -9.405 -1.572 -5.193 1.00 0.19 H new ATOM 0 HG22 ILE A 14 -9.743 -2.343 -6.761 1.00 0.19 H new ATOM 0 HG23 ILE A 14 -9.356 -0.607 -6.688 1.00 0.19 H new ATOM 0 HD11 ILE A 14 -10.944 1.031 -3.295 1.00 0.20 H new ATOM 0 HD12 ILE A 14 -11.366 -0.697 -3.265 1.00 0.20 H new ATOM 0 HD13 ILE A 14 -9.790 -0.177 -3.907 1.00 0.20 H new ATOM 240 N ARG A 15 -11.942 -3.166 -8.234 1.00 0.25 N ATOM 241 CA ARG A 15 -11.520 -4.247 -9.105 1.00 0.28 C ATOM 242 C ARG A 15 -11.992 -3.971 -10.538 1.00 0.30 C ATOM 243 O ARG A 15 -11.204 -4.103 -11.475 1.00 0.37 O ATOM 244 CB ARG A 15 -12.041 -5.562 -8.517 1.00 0.42 C ATOM 245 CG ARG A 15 -11.469 -6.781 -9.242 1.00 1.28 C ATOM 246 CD ARG A 15 -11.799 -8.046 -8.441 1.00 0.91 C ATOM 247 NE ARG A 15 -11.837 -9.237 -9.299 1.00 1.18 N ATOM 248 CZ ARG A 15 -12.143 -10.471 -8.875 1.00 1.26 C ATOM 249 NH1 ARG A 15 -12.332 -11.452 -9.760 1.00 1.92 N ATOM 250 NH2 ARG A 15 -12.266 -10.720 -7.571 1.00 1.62 N ATOM 0 H ARG A 15 -12.525 -3.469 -7.454 1.00 0.25 H new ATOM 0 HA ARG A 15 -10.434 -4.324 -9.163 1.00 0.28 H new ATOM 0 HB2 ARG A 15 -11.781 -5.614 -7.460 1.00 0.42 H new ATOM 0 HB3 ARG A 15 -13.129 -5.581 -8.579 1.00 0.42 H new ATOM 0 HG2 ARG A 15 -11.889 -6.852 -10.245 1.00 1.28 H new ATOM 0 HG3 ARG A 15 -10.390 -6.679 -9.354 1.00 1.28 H new ATOM 0 HD2 ARG A 15 -11.054 -8.185 -7.658 1.00 0.91 H new ATOM 0 HD3 ARG A 15 -12.763 -7.923 -7.946 1.00 0.91 H new ATOM 0 HE ARG A 15 -11.615 -9.117 -10.287 1.00 1.18 H new ATOM 0 HH11 ARG A 15 -12.244 -11.262 -10.758 1.00 1.92 H new ATOM 0 HH12 ARG A 15 -12.565 -12.391 -9.438 1.00 1.92 H new ATOM 0 HH21 ARG A 15 -12.127 -9.970 -6.893 1.00 1.62 H new ATOM 0 HH22 ARG A 15 -12.499 -11.660 -7.251 1.00 1.62 H new ATOM 264 N LYS A 16 -13.258 -3.564 -10.694 1.00 0.28 N ATOM 265 CA LYS A 16 -13.862 -3.141 -11.960 1.00 0.31 C ATOM 266 C LYS A 16 -13.126 -1.948 -12.565 1.00 0.30 C ATOM 267 O LYS A 16 -13.018 -1.865 -13.783 1.00 0.34 O ATOM 268 CB LYS A 16 -15.346 -2.767 -11.761 1.00 0.36 C ATOM 269 CG LYS A 16 -16.334 -3.830 -12.259 1.00 0.65 C ATOM 270 CD LYS A 16 -16.221 -5.182 -11.548 1.00 0.90 C ATOM 271 CE LYS A 16 -17.318 -6.120 -12.073 1.00 1.13 C ATOM 272 NZ LYS A 16 -18.622 -5.894 -11.410 1.00 2.55 N ATOM 0 H LYS A 16 -13.912 -3.519 -9.913 1.00 0.28 H new ATOM 0 HA LYS A 16 -13.785 -3.985 -12.645 1.00 0.31 H new ATOM 0 HB2 LYS A 16 -15.525 -2.589 -10.701 1.00 0.36 H new ATOM 0 HB3 LYS A 16 -15.546 -1.830 -12.280 1.00 0.36 H new ATOM 0 HG2 LYS A 16 -17.349 -3.452 -12.135 1.00 0.65 H new ATOM 0 HG3 LYS A 16 -16.178 -3.981 -13.327 1.00 0.65 H new ATOM 0 HD2 LYS A 16 -15.238 -5.618 -11.724 1.00 0.90 H new ATOM 0 HD3 LYS A 16 -16.323 -5.050 -10.471 1.00 0.90 H new ATOM 0 HE2 LYS A 16 -17.431 -5.976 -13.148 1.00 1.13 H new ATOM 0 HE3 LYS A 16 -17.011 -7.155 -11.920 1.00 1.13 H new ATOM 0 HZ1 LYS A 16 -19.343 -6.503 -11.846 1.00 2.55 H new ATOM 0 HZ2 LYS A 16 -18.541 -6.122 -10.399 1.00 2.55 H new ATOM 0 HZ3 LYS A 16 -18.899 -4.898 -11.519 1.00 2.55 H new ATOM 286 N CYS A 17 -12.653 -1.015 -11.737 1.00 0.30 N ATOM 287 CA CYS A 17 -12.030 0.223 -12.183 1.00 0.33 C ATOM 288 C CYS A 17 -10.779 -0.131 -12.977 1.00 0.31 C ATOM 289 O CYS A 17 -10.474 0.494 -13.990 1.00 0.41 O ATOM 290 CB CYS A 17 -11.703 1.096 -10.961 1.00 0.35 C ATOM 291 SG CYS A 17 -11.274 2.782 -11.467 1.00 0.73 S ATOM 0 H CYS A 17 -12.695 -1.104 -10.722 1.00 0.30 H new ATOM 0 HA CYS A 17 -12.701 0.793 -12.826 1.00 0.33 H new ATOM 0 HB2 CYS A 17 -12.560 1.121 -10.287 1.00 0.35 H new ATOM 0 HB3 CYS A 17 -10.874 0.656 -10.406 1.00 0.35 H new ATOM 0 HG CYS A 17 -11.005 3.496 -10.414 1.00 0.73 H new ATOM 297 N GLY A 18 -10.083 -1.180 -12.539 1.00 0.27 N ATOM 298 CA GLY A 18 -9.054 -1.813 -13.333 1.00 0.31 C ATOM 299 C GLY A 18 -7.944 -2.256 -12.410 1.00 0.30 C ATOM 300 O GLY A 18 -7.021 -1.488 -12.161 1.00 0.31 O ATOM 0 H GLY A 18 -10.224 -1.607 -11.624 1.00 0.27 H new ATOM 0 HA2 GLY A 18 -9.463 -2.668 -13.872 1.00 0.31 H new ATOM 0 HA3 GLY A 18 -8.671 -1.118 -14.081 1.00 0.31 H new ATOM 304 N MET A 19 -8.038 -3.482 -11.891 1.00 0.31 N ATOM 305 CA MET A 19 -7.004 -4.054 -11.037 1.00 0.31 C ATOM 306 C MET A 19 -5.694 -4.236 -11.806 1.00 0.33 C ATOM 307 O MET A 19 -5.407 -5.292 -12.372 1.00 0.37 O ATOM 308 CB MET A 19 -7.490 -5.345 -10.373 1.00 0.39 C ATOM 309 CG MET A 19 -8.094 -6.381 -11.321 1.00 0.69 C ATOM 310 SD MET A 19 -8.140 -8.042 -10.595 1.00 1.34 S ATOM 311 CE MET A 19 -8.599 -8.980 -12.070 1.00 1.82 C ATOM 0 H MET A 19 -8.832 -4.102 -12.052 1.00 0.31 H new ATOM 0 HA MET A 19 -6.794 -3.352 -10.230 1.00 0.31 H new ATOM 0 HB2 MET A 19 -6.651 -5.802 -9.849 1.00 0.39 H new ATOM 0 HB3 MET A 19 -8.235 -5.088 -9.620 1.00 0.39 H new ATOM 0 HG2 MET A 19 -9.106 -6.077 -11.589 1.00 0.69 H new ATOM 0 HG3 MET A 19 -7.514 -6.407 -12.243 1.00 0.69 H new ATOM 0 HE1 MET A 19 -8.677 -10.038 -11.819 1.00 1.82 H new ATOM 0 HE2 MET A 19 -9.559 -8.624 -12.443 1.00 1.82 H new ATOM 0 HE3 MET A 19 -7.838 -8.845 -12.839 1.00 1.82 H new ATOM 321 N LYS A 20 -4.923 -3.155 -11.885 1.00 0.32 N ATOM 322 CA LYS A 20 -3.645 -3.090 -12.564 1.00 0.34 C ATOM 323 C LYS A 20 -2.554 -2.910 -11.520 1.00 0.30 C ATOM 324 O LYS A 20 -1.933 -3.871 -11.077 1.00 0.43 O ATOM 325 CB LYS A 20 -3.752 -2.009 -13.655 1.00 0.40 C ATOM 326 CG LYS A 20 -3.151 -2.468 -14.981 1.00 1.17 C ATOM 327 CD LYS A 20 -3.939 -1.852 -16.142 1.00 1.80 C ATOM 328 CE LYS A 20 -2.993 -1.519 -17.298 1.00 1.78 C ATOM 329 NZ LYS A 20 -3.716 -1.351 -18.576 1.00 2.81 N ATOM 0 H LYS A 20 -5.188 -2.267 -11.458 1.00 0.32 H new ATOM 0 HA LYS A 20 -3.369 -4.004 -13.090 1.00 0.34 H new ATOM 0 HB2 LYS A 20 -4.800 -1.748 -13.804 1.00 0.40 H new ATOM 0 HB3 LYS A 20 -3.242 -1.105 -13.320 1.00 0.40 H new ATOM 0 HG2 LYS A 20 -2.104 -2.170 -15.040 1.00 1.17 H new ATOM 0 HG3 LYS A 20 -3.177 -3.556 -15.047 1.00 1.17 H new ATOM 0 HD2 LYS A 20 -4.708 -2.547 -16.479 1.00 1.80 H new ATOM 0 HD3 LYS A 20 -4.450 -0.949 -15.807 1.00 1.80 H new ATOM 0 HE2 LYS A 20 -2.447 -0.604 -17.067 1.00 1.78 H new ATOM 0 HE3 LYS A 20 -2.254 -2.313 -17.402 1.00 1.78 H new ATOM 0 HZ1 LYS A 20 -3.038 -1.127 -19.332 1.00 2.81 H new ATOM 0 HZ2 LYS A 20 -4.216 -2.232 -18.810 1.00 2.81 H new ATOM 0 HZ3 LYS A 20 -4.404 -0.576 -18.487 1.00 2.81 H new ATOM 343 N ASN A 21 -2.417 -1.676 -11.036 1.00 0.27 N ATOM 344 CA ASN A 21 -1.491 -1.276 -9.987 1.00 0.27 C ATOM 345 C ASN A 21 -1.848 -1.897 -8.641 1.00 0.21 C ATOM 346 O ASN A 21 -1.098 -1.788 -7.677 1.00 0.21 O ATOM 347 CB ASN A 21 -1.503 0.249 -9.860 1.00 0.44 C ATOM 348 CG ASN A 21 -0.922 0.907 -11.108 1.00 0.81 C ATOM 349 OD1 ASN A 21 -1.390 0.638 -12.210 1.00 2.21 O ATOM 350 ND2 ASN A 21 0.073 1.768 -10.961 1.00 1.07 N ATOM 0 H ASN A 21 -2.975 -0.896 -11.383 1.00 0.27 H new ATOM 0 HA ASN A 21 -0.498 -1.631 -10.264 1.00 0.27 H new ATOM 0 HB2 ASN A 21 -2.524 0.596 -9.704 1.00 0.44 H new ATOM 0 HB3 ASN A 21 -0.927 0.549 -8.985 1.00 0.44 H new ATOM 0 HD21 ASN A 21 0.473 2.229 -11.778 1.00 1.07 H new ATOM 0 HD22 ASN A 21 0.440 1.970 -10.031 1.00 1.07 H new ATOM 357 N PHE A 22 -3.008 -2.534 -8.555 1.00 0.22 N ATOM 358 CA PHE A 22 -3.517 -3.179 -7.374 1.00 0.18 C ATOM 359 C PHE A 22 -4.154 -4.458 -7.895 1.00 0.22 C ATOM 360 O PHE A 22 -5.081 -4.398 -8.698 1.00 0.41 O ATOM 361 CB PHE A 22 -4.488 -2.215 -6.677 1.00 0.16 C ATOM 362 CG PHE A 22 -5.490 -1.524 -7.586 1.00 0.17 C ATOM 363 CD1 PHE A 22 -6.763 -2.083 -7.800 1.00 0.16 C ATOM 364 CD2 PHE A 22 -5.135 -0.333 -8.246 1.00 0.26 C ATOM 365 CE1 PHE A 22 -7.658 -1.470 -8.693 1.00 0.21 C ATOM 366 CE2 PHE A 22 -6.031 0.279 -9.140 1.00 0.30 C ATOM 367 CZ PHE A 22 -7.294 -0.292 -9.364 1.00 0.27 C ATOM 0 H PHE A 22 -3.642 -2.613 -9.350 1.00 0.22 H new ATOM 0 HA PHE A 22 -2.773 -3.430 -6.617 1.00 0.18 H new ATOM 0 HB2 PHE A 22 -5.037 -2.768 -5.915 1.00 0.16 H new ATOM 0 HB3 PHE A 22 -3.906 -1.452 -6.160 1.00 0.16 H new ATOM 0 HD1 PHE A 22 -7.052 -2.983 -7.278 1.00 0.16 H new ATOM 0 HD2 PHE A 22 -4.169 0.114 -8.065 1.00 0.26 H new ATOM 0 HE1 PHE A 22 -8.631 -1.907 -8.864 1.00 0.21 H new ATOM 0 HE2 PHE A 22 -5.748 1.186 -9.653 1.00 0.30 H new ATOM 0 HZ PHE A 22 -7.984 0.174 -10.051 1.00 0.27 H new ATOM 377 N ARG A 23 -3.609 -5.614 -7.519 1.00 0.18 N ATOM 378 CA ARG A 23 -4.067 -6.919 -7.984 1.00 0.22 C ATOM 379 C ARG A 23 -4.047 -7.860 -6.797 1.00 0.22 C ATOM 380 O ARG A 23 -3.657 -7.483 -5.696 1.00 0.23 O ATOM 381 CB ARG A 23 -3.169 -7.456 -9.119 1.00 0.34 C ATOM 382 CG ARG A 23 -3.623 -7.023 -10.521 1.00 0.81 C ATOM 383 CD ARG A 23 -3.993 -8.242 -11.385 1.00 1.24 C ATOM 384 NE ARG A 23 -4.156 -7.899 -12.807 1.00 2.15 N ATOM 385 CZ ARG A 23 -4.308 -8.790 -13.801 1.00 2.61 C ATOM 386 NH1 ARG A 23 -4.163 -8.429 -15.073 1.00 3.84 N ATOM 387 NH2 ARG A 23 -4.625 -10.053 -13.511 1.00 2.41 N ATOM 0 H ARG A 23 -2.823 -5.669 -6.871 1.00 0.18 H new ATOM 0 HA ARG A 23 -5.075 -6.836 -8.391 1.00 0.22 H new ATOM 0 HB2 ARG A 23 -2.147 -7.113 -8.955 1.00 0.34 H new ATOM 0 HB3 ARG A 23 -3.151 -8.545 -9.072 1.00 0.34 H new ATOM 0 HG2 ARG A 23 -4.482 -6.357 -10.439 1.00 0.81 H new ATOM 0 HG3 ARG A 23 -2.827 -6.458 -11.006 1.00 0.81 H new ATOM 0 HD2 ARG A 23 -3.218 -9.002 -11.285 1.00 1.24 H new ATOM 0 HD3 ARG A 23 -4.919 -8.679 -11.012 1.00 1.24 H new ATOM 0 HE ARG A 23 -4.153 -6.910 -13.057 1.00 2.15 H new ATOM 0 HH11 ARG A 23 -3.933 -7.463 -15.306 1.00 3.84 H new ATOM 0 HH12 ARG A 23 -4.282 -9.118 -15.815 1.00 3.84 H new ATOM 0 HH21 ARG A 23 -4.750 -10.337 -12.539 1.00 2.41 H new ATOM 0 HH22 ARG A 23 -4.742 -10.735 -14.261 1.00 2.41 H new ATOM 401 N ASN A 24 -4.497 -9.095 -7.014 1.00 0.23 N ATOM 402 CA ASN A 24 -4.721 -10.043 -5.938 1.00 0.20 C ATOM 403 C ASN A 24 -5.581 -9.400 -4.848 1.00 0.20 C ATOM 404 O ASN A 24 -5.359 -9.637 -3.670 1.00 0.26 O ATOM 405 CB ASN A 24 -3.377 -10.575 -5.414 1.00 0.24 C ATOM 406 CG ASN A 24 -3.516 -11.952 -4.783 1.00 0.41 C ATOM 407 OD1 ASN A 24 -3.255 -12.958 -5.428 1.00 1.36 O ATOM 408 ND2 ASN A 24 -3.937 -12.031 -3.531 1.00 1.32 N ATOM 0 H ASN A 24 -4.714 -9.460 -7.941 1.00 0.23 H new ATOM 0 HA ASN A 24 -5.274 -10.906 -6.308 1.00 0.20 H new ATOM 0 HB2 ASN A 24 -2.661 -10.623 -6.235 1.00 0.24 H new ATOM 0 HB3 ASN A 24 -2.973 -9.879 -4.679 1.00 0.24 H new ATOM 0 HD21 ASN A 24 -4.049 -12.943 -3.087 1.00 1.32 H new ATOM 0 HD22 ASN A 24 -4.149 -11.180 -3.010 1.00 1.32 H new ATOM 415 N ILE A 25 -6.559 -8.576 -5.237 1.00 0.19 N ATOM 416 CA ILE A 25 -7.541 -8.042 -4.305 1.00 0.19 C ATOM 417 C ILE A 25 -8.328 -9.249 -3.797 1.00 0.19 C ATOM 418 O ILE A 25 -8.904 -9.987 -4.598 1.00 0.23 O ATOM 419 CB ILE A 25 -8.410 -6.968 -5.016 1.00 0.21 C ATOM 420 CG1 ILE A 25 -8.028 -5.558 -4.520 1.00 0.25 C ATOM 421 CG2 ILE A 25 -9.919 -7.167 -4.834 1.00 0.42 C ATOM 422 CD1 ILE A 25 -8.735 -4.438 -5.278 1.00 0.24 C ATOM 0 H ILE A 25 -6.687 -8.266 -6.200 1.00 0.19 H new ATOM 0 HA ILE A 25 -7.097 -7.525 -3.455 1.00 0.19 H new ATOM 0 HB ILE A 25 -8.200 -7.078 -6.080 1.00 0.21 H new ATOM 0 HG12 ILE A 25 -8.267 -5.477 -3.460 1.00 0.25 H new ATOM 0 HG13 ILE A 25 -6.950 -5.427 -4.615 1.00 0.25 H new ATOM 0 HG21 ILE A 25 -10.456 -6.378 -5.360 1.00 0.42 H new ATOM 0 HG22 ILE A 25 -10.210 -8.136 -5.240 1.00 0.42 H new ATOM 0 HG23 ILE A 25 -10.166 -7.129 -3.773 1.00 0.42 H new ATOM 0 HD11 ILE A 25 -8.421 -3.474 -4.879 1.00 0.24 H new ATOM 0 HD12 ILE A 25 -8.476 -4.494 -6.335 1.00 0.24 H new ATOM 0 HD13 ILE A 25 -9.814 -4.545 -5.162 1.00 0.24 H new ATOM 434 N GLN A 26 -8.331 -9.480 -2.485 1.00 0.19 N ATOM 435 CA GLN A 26 -9.128 -10.525 -1.869 1.00 0.22 C ATOM 436 C GLN A 26 -9.669 -9.972 -0.559 1.00 0.25 C ATOM 437 O GLN A 26 -9.108 -9.038 0.019 1.00 0.27 O ATOM 438 CB GLN A 26 -8.337 -11.831 -1.642 1.00 0.29 C ATOM 439 CG GLN A 26 -7.110 -11.962 -2.548 1.00 0.33 C ATOM 440 CD GLN A 26 -6.473 -13.345 -2.505 1.00 0.54 C ATOM 441 OE1 GLN A 26 -5.878 -13.743 -1.512 1.00 1.99 O ATOM 442 NE2 GLN A 26 -6.495 -14.072 -3.614 1.00 1.42 N ATOM 0 H GLN A 26 -7.775 -8.941 -1.821 1.00 0.19 H new ATOM 0 HA GLN A 26 -9.941 -10.798 -2.541 1.00 0.22 H new ATOM 0 HB2 GLN A 26 -8.018 -11.878 -0.601 1.00 0.29 H new ATOM 0 HB3 GLN A 26 -8.997 -12.681 -1.811 1.00 0.29 H new ATOM 0 HG2 GLN A 26 -7.399 -11.735 -3.574 1.00 0.33 H new ATOM 0 HG3 GLN A 26 -6.369 -11.219 -2.254 1.00 0.33 H new ATOM 0 HE21 GLN A 26 -6.993 -13.732 -4.437 1.00 1.42 H new ATOM 0 HE22 GLN A 26 -6.014 -14.971 -3.644 1.00 1.42 H new ATOM 451 N VAL A 27 -10.776 -10.546 -0.104 1.00 0.28 N ATOM 452 CA VAL A 27 -11.460 -10.105 1.089 1.00 0.30 C ATOM 453 C VAL A 27 -11.954 -11.380 1.766 1.00 0.38 C ATOM 454 O VAL A 27 -12.350 -12.321 1.080 1.00 0.50 O ATOM 455 CB VAL A 27 -12.538 -9.089 0.667 1.00 0.31 C ATOM 456 CG1 VAL A 27 -13.784 -9.730 0.044 1.00 0.46 C ATOM 457 CG2 VAL A 27 -12.951 -8.174 1.814 1.00 0.39 C ATOM 0 H VAL A 27 -11.223 -11.339 -0.564 1.00 0.28 H new ATOM 0 HA VAL A 27 -10.850 -9.571 1.817 1.00 0.30 H new ATOM 0 HB VAL A 27 -12.058 -8.492 -0.109 1.00 0.31 H new ATOM 0 HG11 VAL A 27 -14.497 -8.951 -0.227 1.00 0.46 H new ATOM 0 HG12 VAL A 27 -13.499 -10.287 -0.848 1.00 0.46 H new ATOM 0 HG13 VAL A 27 -14.243 -10.408 0.764 1.00 0.46 H new ATOM 0 HG21 VAL A 27 -13.713 -7.476 1.466 1.00 0.39 H new ATOM 0 HG22 VAL A 27 -13.354 -8.773 2.631 1.00 0.39 H new ATOM 0 HG23 VAL A 27 -12.083 -7.617 2.166 1.00 0.39 H new ATOM 467 N ASP A 28 -11.827 -11.457 3.086 1.00 0.37 N ATOM 468 CA ASP A 28 -12.249 -12.625 3.851 1.00 0.48 C ATOM 469 C ASP A 28 -13.783 -12.646 3.883 1.00 0.44 C ATOM 470 O ASP A 28 -14.417 -11.627 3.621 1.00 0.39 O ATOM 471 CB ASP A 28 -11.590 -12.498 5.226 1.00 0.58 C ATOM 472 CG ASP A 28 -11.773 -13.676 6.180 1.00 0.88 C ATOM 473 OD1 ASP A 28 -12.926 -14.109 6.380 1.00 1.06 O ATOM 474 OD2 ASP A 28 -10.767 -14.054 6.817 1.00 2.01 O ATOM 0 H ASP A 28 -11.428 -10.711 3.656 1.00 0.37 H new ATOM 0 HA ASP A 28 -11.943 -13.578 3.419 1.00 0.48 H new ATOM 0 HB2 ASP A 28 -10.521 -12.341 5.079 1.00 0.58 H new ATOM 0 HB3 ASP A 28 -11.980 -11.603 5.710 1.00 0.58 H new ATOM 479 N GLU A 29 -14.402 -13.794 4.151 1.00 0.54 N ATOM 480 CA GLU A 29 -15.855 -13.893 4.216 1.00 0.58 C ATOM 481 C GLU A 29 -16.357 -13.351 5.555 1.00 0.52 C ATOM 482 O GLU A 29 -17.301 -12.564 5.602 1.00 0.58 O ATOM 483 CB GLU A 29 -16.301 -15.342 3.958 1.00 0.79 C ATOM 484 CG GLU A 29 -15.853 -16.350 5.028 1.00 2.18 C ATOM 485 CD GLU A 29 -16.070 -17.793 4.572 1.00 2.79 C ATOM 486 OE1 GLU A 29 -17.177 -18.076 4.063 1.00 2.87 O ATOM 487 OE2 GLU A 29 -15.127 -18.598 4.744 1.00 3.95 O ATOM 0 H GLU A 29 -13.915 -14.673 4.327 1.00 0.54 H new ATOM 0 HA GLU A 29 -16.302 -13.280 3.433 1.00 0.58 H new ATOM 0 HB2 GLU A 29 -17.388 -15.366 3.888 1.00 0.79 H new ATOM 0 HB3 GLU A 29 -15.912 -15.661 2.991 1.00 0.79 H new ATOM 0 HG2 GLU A 29 -14.798 -16.195 5.255 1.00 2.18 H new ATOM 0 HG3 GLU A 29 -16.407 -16.172 5.950 1.00 2.18 H new ATOM 494 N ALA A 30 -15.724 -13.767 6.651 1.00 0.48 N ATOM 495 CA ALA A 30 -16.051 -13.305 7.988 1.00 0.47 C ATOM 496 C ALA A 30 -15.359 -11.970 8.219 1.00 0.37 C ATOM 497 O ALA A 30 -15.997 -10.962 8.518 1.00 0.41 O ATOM 498 CB ALA A 30 -15.592 -14.342 9.019 1.00 0.55 C ATOM 0 H ALA A 30 -14.961 -14.443 6.629 1.00 0.48 H new ATOM 0 HA ALA A 30 -17.128 -13.176 8.094 1.00 0.47 H new ATOM 0 HB1 ALA A 30 -15.839 -13.992 10.021 1.00 0.55 H new ATOM 0 HB2 ALA A 30 -16.096 -15.290 8.831 1.00 0.55 H new ATOM 0 HB3 ALA A 30 -14.514 -14.482 8.939 1.00 0.55 H new ATOM 504 N ASN A 31 -14.035 -11.948 8.062 1.00 0.32 N ATOM 505 CA ASN A 31 -13.240 -10.754 8.302 1.00 0.28 C ATOM 506 C ASN A 31 -13.251 -9.855 7.064 1.00 0.24 C ATOM 507 O ASN A 31 -12.219 -9.283 6.736 1.00 0.30 O ATOM 508 CB ASN A 31 -11.794 -11.129 8.679 1.00 0.36 C ATOM 509 CG ASN A 31 -11.726 -12.108 9.841 1.00 1.92 C ATOM 510 OD1 ASN A 31 -12.069 -11.761 10.964 1.00 2.76 O ATOM 511 ND2 ASN A 31 -11.298 -13.339 9.597 1.00 3.21 N ATOM 0 H ASN A 31 -13.489 -12.757 7.766 1.00 0.32 H new ATOM 0 HA ASN A 31 -13.680 -10.208 9.137 1.00 0.28 H new ATOM 0 HB2 ASN A 31 -11.298 -11.565 7.812 1.00 0.36 H new ATOM 0 HB3 ASN A 31 -11.244 -10.224 8.939 1.00 0.36 H new ATOM 0 HD21 ASN A 31 -11.249 -14.021 10.354 1.00 3.21 H new ATOM 0 HD22 ASN A 31 -11.018 -13.604 8.653 1.00 3.21 H new ATOM 518 N LEU A 32 -14.384 -9.708 6.364 1.00 0.20 N ATOM 519 CA LEU A 32 -14.443 -8.975 5.096 1.00 0.21 C ATOM 520 C LEU A 32 -14.084 -7.497 5.271 1.00 0.22 C ATOM 521 O LEU A 32 -13.728 -6.801 4.325 1.00 0.27 O ATOM 522 CB LEU A 32 -15.805 -9.204 4.406 1.00 0.31 C ATOM 523 CG LEU A 32 -16.916 -8.164 4.632 1.00 0.38 C ATOM 524 CD1 LEU A 32 -16.739 -6.899 3.778 1.00 0.54 C ATOM 525 CD2 LEU A 32 -18.249 -8.805 4.231 1.00 0.47 C ATOM 0 H LEU A 32 -15.281 -10.093 6.661 1.00 0.20 H new ATOM 0 HA LEU A 32 -13.680 -9.373 4.427 1.00 0.21 H new ATOM 0 HB2 LEU A 32 -15.627 -9.274 3.333 1.00 0.31 H new ATOM 0 HB3 LEU A 32 -16.184 -10.173 4.730 1.00 0.31 H new ATOM 0 HG LEU A 32 -16.881 -7.869 5.681 1.00 0.38 H new ATOM 0 HD11 LEU A 32 -17.554 -6.205 3.983 1.00 0.54 H new ATOM 0 HD12 LEU A 32 -15.788 -6.425 4.022 1.00 0.54 H new ATOM 0 HD13 LEU A 32 -16.749 -7.169 2.722 1.00 0.54 H new ATOM 0 HD21 LEU A 32 -19.057 -8.089 4.381 1.00 0.47 H new ATOM 0 HD22 LEU A 32 -18.212 -9.095 3.181 1.00 0.47 H new ATOM 0 HD23 LEU A 32 -18.428 -9.688 4.845 1.00 0.47 H new ATOM 537 N LEU A 33 -14.183 -7.010 6.506 1.00 0.21 N ATOM 538 CA LEU A 33 -13.692 -5.708 6.916 1.00 0.25 C ATOM 539 C LEU A 33 -12.224 -5.520 6.525 1.00 0.34 C ATOM 540 O LEU A 33 -11.837 -4.449 6.065 1.00 0.72 O ATOM 541 CB LEU A 33 -13.903 -5.593 8.433 1.00 0.27 C ATOM 542 CG LEU A 33 -15.369 -5.286 8.767 1.00 0.31 C ATOM 543 CD1 LEU A 33 -15.619 -5.489 10.255 1.00 0.41 C ATOM 544 CD2 LEU A 33 -15.763 -3.844 8.456 1.00 0.48 C ATOM 0 H LEU A 33 -14.621 -7.530 7.267 1.00 0.21 H new ATOM 0 HA LEU A 33 -14.239 -4.915 6.407 1.00 0.25 H new ATOM 0 HB2 LEU A 33 -13.604 -6.523 8.916 1.00 0.27 H new ATOM 0 HB3 LEU A 33 -13.263 -4.806 8.833 1.00 0.27 H new ATOM 0 HG LEU A 33 -15.960 -5.963 8.151 1.00 0.31 H new ATOM 0 HD11 LEU A 33 -16.662 -5.269 10.482 1.00 0.41 H new ATOM 0 HD12 LEU A 33 -15.400 -6.523 10.523 1.00 0.41 H new ATOM 0 HD13 LEU A 33 -14.974 -4.821 10.827 1.00 0.41 H new ATOM 0 HD21 LEU A 33 -16.811 -3.689 8.714 1.00 0.48 H new ATOM 0 HD22 LEU A 33 -15.142 -3.163 9.038 1.00 0.48 H new ATOM 0 HD23 LEU A 33 -15.618 -3.648 7.394 1.00 0.48 H new ATOM 556 N THR A 34 -11.397 -6.544 6.713 1.00 0.22 N ATOM 557 CA THR A 34 -9.982 -6.507 6.400 1.00 0.20 C ATOM 558 C THR A 34 -9.733 -6.985 4.970 1.00 0.18 C ATOM 559 O THR A 34 -10.378 -7.903 4.467 1.00 0.21 O ATOM 560 CB THR A 34 -9.239 -7.390 7.411 1.00 0.25 C ATOM 561 OG1 THR A 34 -9.699 -7.080 8.711 1.00 0.43 O ATOM 562 CG2 THR A 34 -7.727 -7.166 7.383 1.00 0.35 C ATOM 0 H THR A 34 -11.703 -7.439 7.095 1.00 0.22 H new ATOM 0 HA THR A 34 -9.614 -5.483 6.468 1.00 0.20 H new ATOM 0 HB THR A 34 -9.437 -8.428 7.144 1.00 0.25 H new ATOM 0 HG1 THR A 34 -9.232 -7.640 9.366 1.00 0.43 H new ATOM 0 HG21 THR A 34 -7.249 -7.815 8.117 1.00 0.35 H new ATOM 0 HG22 THR A 34 -7.343 -7.398 6.389 1.00 0.35 H new ATOM 0 HG23 THR A 34 -7.509 -6.125 7.623 1.00 0.35 H new ATOM 570 N TRP A 35 -8.775 -6.334 4.313 1.00 0.15 N ATOM 571 CA TRP A 35 -8.445 -6.539 2.914 1.00 0.13 C ATOM 572 C TRP A 35 -7.021 -7.045 2.809 1.00 0.13 C ATOM 573 O TRP A 35 -6.168 -6.703 3.626 1.00 0.15 O ATOM 574 CB TRP A 35 -8.505 -5.214 2.159 1.00 0.14 C ATOM 575 CG TRP A 35 -9.836 -4.563 2.021 1.00 0.17 C ATOM 576 CD1 TRP A 35 -10.760 -4.424 2.993 1.00 0.23 C ATOM 577 CD2 TRP A 35 -10.379 -3.883 0.855 1.00 0.18 C ATOM 578 NE1 TRP A 35 -11.853 -3.759 2.506 1.00 0.25 N ATOM 579 CE2 TRP A 35 -11.671 -3.380 1.191 1.00 0.21 C ATOM 580 CE3 TRP A 35 -9.880 -3.601 -0.436 1.00 0.20 C ATOM 581 CZ2 TRP A 35 -12.431 -2.639 0.276 1.00 0.22 C ATOM 582 CZ3 TRP A 35 -10.636 -2.856 -1.356 1.00 0.22 C ATOM 583 CH2 TRP A 35 -11.908 -2.377 -0.999 1.00 0.22 C ATOM 0 H TRP A 35 -8.191 -5.627 4.759 1.00 0.15 H new ATOM 0 HA TRP A 35 -9.155 -7.251 2.493 1.00 0.13 H new ATOM 0 HB2 TRP A 35 -7.837 -4.512 2.658 1.00 0.14 H new ATOM 0 HB3 TRP A 35 -8.105 -5.378 1.158 1.00 0.14 H new ATOM 0 HD1 TRP A 35 -10.654 -4.784 4.006 1.00 0.23 H new ATOM 0 HE1 TRP A 35 -12.696 -3.568 3.047 1.00 0.25 H new ATOM 0 HE3 TRP A 35 -8.903 -3.963 -0.720 1.00 0.20 H new ATOM 0 HZ2 TRP A 35 -13.410 -2.273 0.550 1.00 0.22 H new ATOM 0 HZ3 TRP A 35 -10.239 -2.651 -2.339 1.00 0.22 H new ATOM 0 HH2 TRP A 35 -12.486 -1.804 -1.710 1.00 0.22 H new ATOM 594 N GLN A 36 -6.740 -7.798 1.754 1.00 0.13 N ATOM 595 CA GLN A 36 -5.427 -8.360 1.529 1.00 0.16 C ATOM 596 C GLN A 36 -5.191 -8.392 0.028 1.00 0.21 C ATOM 597 O GLN A 36 -6.113 -8.665 -0.737 1.00 0.36 O ATOM 598 CB GLN A 36 -5.365 -9.762 2.150 1.00 0.25 C ATOM 599 CG GLN A 36 -6.662 -10.557 1.927 1.00 0.40 C ATOM 600 CD GLN A 36 -6.512 -12.015 2.339 1.00 0.65 C ATOM 601 OE1 GLN A 36 -5.521 -12.659 2.007 1.00 1.25 O ATOM 602 NE2 GLN A 36 -7.492 -12.557 3.056 1.00 1.28 N ATOM 0 H GLN A 36 -7.421 -8.033 1.032 1.00 0.13 H new ATOM 0 HA GLN A 36 -4.646 -7.761 1.998 1.00 0.16 H new ATOM 0 HB2 GLN A 36 -4.527 -10.311 1.720 1.00 0.25 H new ATOM 0 HB3 GLN A 36 -5.174 -9.675 3.220 1.00 0.25 H new ATOM 0 HG2 GLN A 36 -7.471 -10.100 2.497 1.00 0.40 H new ATOM 0 HG3 GLN A 36 -6.944 -10.504 0.875 1.00 0.40 H new ATOM 0 HE21 GLN A 36 -8.303 -11.996 3.317 1.00 1.28 H new ATOM 0 HE22 GLN A 36 -7.432 -13.533 3.345 1.00 1.28 H new ATOM 611 N GLY A 37 -3.968 -8.106 -0.405 1.00 0.20 N ATOM 612 CA GLY A 37 -3.628 -8.205 -1.809 1.00 0.20 C ATOM 613 C GLY A 37 -2.225 -7.684 -2.031 1.00 0.19 C ATOM 614 O GLY A 37 -1.435 -7.620 -1.091 1.00 0.24 O ATOM 0 H GLY A 37 -3.202 -7.805 0.198 1.00 0.20 H new ATOM 0 HA2 GLY A 37 -3.698 -9.242 -2.138 1.00 0.20 H new ATOM 0 HA3 GLY A 37 -4.338 -7.633 -2.406 1.00 0.20 H new ATOM 618 N LEU A 38 -1.899 -7.310 -3.263 1.00 0.19 N ATOM 619 CA LEU A 38 -0.623 -6.687 -3.554 1.00 0.22 C ATOM 620 C LEU A 38 -0.849 -5.469 -4.424 1.00 0.22 C ATOM 621 O LEU A 38 -1.920 -5.274 -5.002 1.00 0.26 O ATOM 622 CB LEU A 38 0.375 -7.697 -4.150 1.00 0.28 C ATOM 623 CG LEU A 38 -0.066 -8.423 -5.435 1.00 0.28 C ATOM 624 CD1 LEU A 38 -0.113 -7.516 -6.668 1.00 0.34 C ATOM 625 CD2 LEU A 38 0.928 -9.550 -5.724 1.00 0.39 C ATOM 0 H LEU A 38 -2.505 -7.430 -4.075 1.00 0.19 H new ATOM 0 HA LEU A 38 -0.159 -6.345 -2.629 1.00 0.22 H new ATOM 0 HB2 LEU A 38 1.308 -7.173 -4.357 1.00 0.28 H new ATOM 0 HB3 LEU A 38 0.594 -8.449 -3.391 1.00 0.28 H new ATOM 0 HG LEU A 38 -1.077 -8.788 -5.256 1.00 0.28 H new ATOM 0 HD11 LEU A 38 -0.431 -8.096 -7.534 1.00 0.34 H new ATOM 0 HD12 LEU A 38 -0.819 -6.704 -6.495 1.00 0.34 H new ATOM 0 HD13 LEU A 38 0.878 -7.102 -6.853 1.00 0.34 H new ATOM 0 HD21 LEU A 38 0.630 -10.074 -6.632 1.00 0.39 H new ATOM 0 HD22 LEU A 38 1.925 -9.130 -5.858 1.00 0.39 H new ATOM 0 HD23 LEU A 38 0.939 -10.249 -4.888 1.00 0.39 H new ATOM 637 N ILE A 39 0.182 -4.644 -4.520 1.00 0.19 N ATOM 638 CA ILE A 39 0.169 -3.481 -5.372 1.00 0.19 C ATOM 639 C ILE A 39 1.371 -3.626 -6.285 1.00 0.20 C ATOM 640 O ILE A 39 2.488 -3.848 -5.816 1.00 0.26 O ATOM 641 CB ILE A 39 0.119 -2.189 -4.537 1.00 0.19 C ATOM 642 CG1 ILE A 39 1.114 -2.212 -3.361 1.00 0.20 C ATOM 643 CG2 ILE A 39 -1.312 -2.018 -4.001 1.00 0.20 C ATOM 644 CD1 ILE A 39 1.060 -0.932 -2.530 1.00 0.21 C ATOM 0 H ILE A 39 1.053 -4.769 -4.003 1.00 0.19 H new ATOM 0 HA ILE A 39 -0.726 -3.408 -5.990 1.00 0.19 H new ATOM 0 HB ILE A 39 0.403 -1.354 -5.177 1.00 0.19 H new ATOM 0 HG12 ILE A 39 0.897 -3.067 -2.721 1.00 0.20 H new ATOM 0 HG13 ILE A 39 2.124 -2.350 -3.746 1.00 0.20 H new ATOM 0 HG21 ILE A 39 -1.371 -1.107 -3.405 1.00 0.20 H new ATOM 0 HG22 ILE A 39 -2.008 -1.950 -4.837 1.00 0.20 H new ATOM 0 HG23 ILE A 39 -1.573 -2.875 -3.380 1.00 0.20 H new ATOM 0 HD11 ILE A 39 1.779 -0.997 -1.714 1.00 0.21 H new ATOM 0 HD12 ILE A 39 1.304 -0.078 -3.161 1.00 0.21 H new ATOM 0 HD13 ILE A 39 0.058 -0.806 -2.121 1.00 0.21 H new ATOM 656 N VAL A 40 1.110 -3.612 -7.590 1.00 0.25 N ATOM 657 CA VAL A 40 2.116 -3.690 -8.628 1.00 0.27 C ATOM 658 C VAL A 40 2.507 -2.244 -8.926 1.00 0.33 C ATOM 659 O VAL A 40 1.680 -1.478 -9.415 1.00 0.43 O ATOM 660 CB VAL A 40 1.546 -4.390 -9.876 1.00 0.23 C ATOM 661 CG1 VAL A 40 2.685 -4.727 -10.841 1.00 0.29 C ATOM 662 CG2 VAL A 40 0.828 -5.699 -9.520 1.00 0.30 C ATOM 0 H VAL A 40 0.161 -3.544 -7.958 1.00 0.25 H new ATOM 0 HA VAL A 40 2.982 -4.275 -8.319 1.00 0.27 H new ATOM 0 HB VAL A 40 0.831 -3.705 -10.332 1.00 0.23 H new ATOM 0 HG11 VAL A 40 2.280 -5.222 -11.723 1.00 0.29 H new ATOM 0 HG12 VAL A 40 3.192 -3.810 -11.140 1.00 0.29 H new ATOM 0 HG13 VAL A 40 3.396 -5.390 -10.347 1.00 0.29 H new ATOM 0 HG21 VAL A 40 0.441 -6.160 -10.429 1.00 0.30 H new ATOM 0 HG22 VAL A 40 1.530 -6.379 -9.038 1.00 0.30 H new ATOM 0 HG23 VAL A 40 0.002 -5.488 -8.840 1.00 0.30 H new ATOM 672 N PRO A 41 3.723 -1.822 -8.572 1.00 0.43 N ATOM 673 CA PRO A 41 4.197 -0.497 -8.910 1.00 0.49 C ATOM 674 C PRO A 41 4.638 -0.439 -10.372 1.00 0.37 C ATOM 675 O PRO A 41 4.586 -1.436 -11.087 1.00 0.36 O ATOM 676 CB PRO A 41 5.363 -0.243 -7.963 1.00 0.72 C ATOM 677 CG PRO A 41 5.842 -1.621 -7.509 1.00 0.67 C ATOM 678 CD PRO A 41 4.734 -2.600 -7.886 1.00 0.57 C ATOM 0 HA PRO A 41 3.422 0.262 -8.802 1.00 0.49 H new ATOM 0 HB2 PRO A 41 6.162 0.302 -8.465 1.00 0.72 H new ATOM 0 HB3 PRO A 41 5.050 0.362 -7.112 1.00 0.72 H new ATOM 0 HG2 PRO A 41 6.780 -1.888 -7.996 1.00 0.67 H new ATOM 0 HG3 PRO A 41 6.026 -1.635 -6.435 1.00 0.67 H new ATOM 0 HD2 PRO A 41 5.117 -3.393 -8.528 1.00 0.57 H new ATOM 0 HD3 PRO A 41 4.320 -3.080 -6.999 1.00 0.57 H new ATOM 686 N ASP A 42 5.119 0.737 -10.778 1.00 0.40 N ATOM 687 CA ASP A 42 5.649 0.995 -12.113 1.00 0.37 C ATOM 688 C ASP A 42 7.085 1.506 -11.980 1.00 0.33 C ATOM 689 O ASP A 42 7.988 0.978 -12.620 1.00 0.32 O ATOM 690 CB ASP A 42 4.791 2.026 -12.858 1.00 0.49 C ATOM 691 CG ASP A 42 3.382 1.535 -13.182 1.00 0.78 C ATOM 692 OD1 ASP A 42 2.461 1.934 -12.430 1.00 2.57 O ATOM 693 OD2 ASP A 42 3.238 0.811 -14.191 1.00 1.81 O ATOM 0 H ASP A 42 5.150 1.556 -10.170 1.00 0.40 H new ATOM 0 HA ASP A 42 5.631 0.070 -12.689 1.00 0.37 H new ATOM 0 HB2 ASP A 42 4.721 2.931 -12.254 1.00 0.49 H new ATOM 0 HB3 ASP A 42 5.293 2.300 -13.786 1.00 0.49 H new ATOM 698 N ASN A 43 7.301 2.543 -11.160 1.00 0.34 N ATOM 699 CA ASN A 43 8.623 3.163 -11.008 1.00 0.32 C ATOM 700 C ASN A 43 9.668 2.205 -10.424 1.00 0.29 C ATOM 701 O ASN A 43 10.672 1.931 -11.080 1.00 0.31 O ATOM 702 CB ASN A 43 8.554 4.470 -10.197 1.00 0.39 C ATOM 703 CG ASN A 43 8.923 5.664 -11.067 1.00 0.49 C ATOM 704 OD1 ASN A 43 10.073 5.811 -11.461 1.00 0.65 O ATOM 705 ND2 ASN A 43 7.968 6.517 -11.406 1.00 0.63 N ATOM 0 H ASN A 43 6.573 2.972 -10.589 1.00 0.34 H new ATOM 0 HA ASN A 43 8.954 3.412 -12.016 1.00 0.32 H new ATOM 0 HB2 ASN A 43 7.549 4.603 -9.796 1.00 0.39 H new ATOM 0 HB3 ASN A 43 9.231 4.411 -9.345 1.00 0.39 H new ATOM 0 HD21 ASN A 43 8.185 7.313 -12.005 1.00 0.63 H new ATOM 0 HD22 ASN A 43 7.016 6.377 -11.068 1.00 0.63 H new ATOM 712 N PRO A 44 9.512 1.723 -9.181 1.00 0.30 N ATOM 713 CA PRO A 44 10.468 0.795 -8.601 1.00 0.30 C ATOM 714 C PRO A 44 10.377 -0.558 -9.314 1.00 0.28 C ATOM 715 O PRO A 44 9.367 -0.864 -9.947 1.00 0.29 O ATOM 716 CB PRO A 44 10.088 0.697 -7.121 1.00 0.33 C ATOM 717 CG PRO A 44 8.583 0.917 -7.171 1.00 0.33 C ATOM 718 CD PRO A 44 8.446 2.004 -8.238 1.00 0.36 C ATOM 0 HA PRO A 44 11.501 1.125 -8.710 1.00 0.30 H new ATOM 0 HB2 PRO A 44 10.346 -0.273 -6.696 1.00 0.33 H new ATOM 0 HB3 PRO A 44 10.592 1.453 -6.519 1.00 0.33 H new ATOM 0 HG2 PRO A 44 8.048 0.008 -7.446 1.00 0.33 H new ATOM 0 HG3 PRO A 44 8.187 1.240 -6.208 1.00 0.33 H new ATOM 0 HD2 PRO A 44 7.469 1.966 -8.720 1.00 0.36 H new ATOM 0 HD3 PRO A 44 8.550 2.999 -7.806 1.00 0.36 H new ATOM 726 N PRO A 45 11.414 -1.394 -9.182 1.00 0.30 N ATOM 727 CA PRO A 45 11.550 -2.659 -9.888 1.00 0.31 C ATOM 728 C PRO A 45 10.437 -3.638 -9.518 1.00 0.45 C ATOM 729 O PRO A 45 10.570 -4.421 -8.574 1.00 0.80 O ATOM 730 CB PRO A 45 12.942 -3.185 -9.553 1.00 0.33 C ATOM 731 CG PRO A 45 13.243 -2.502 -8.232 1.00 0.33 C ATOM 732 CD PRO A 45 12.591 -1.138 -8.382 1.00 0.32 C ATOM 0 HA PRO A 45 11.447 -2.527 -10.965 1.00 0.31 H new ATOM 0 HB2 PRO A 45 12.954 -4.271 -9.460 1.00 0.33 H new ATOM 0 HB3 PRO A 45 13.670 -2.923 -10.320 1.00 0.33 H new ATOM 0 HG2 PRO A 45 12.827 -3.055 -7.390 1.00 0.33 H new ATOM 0 HG3 PRO A 45 14.316 -2.417 -8.059 1.00 0.33 H new ATOM 0 HD2 PRO A 45 12.329 -0.713 -7.413 1.00 0.32 H new ATOM 0 HD3 PRO A 45 13.259 -0.429 -8.871 1.00 0.32 H new ATOM 740 N TYR A 46 9.360 -3.602 -10.303 1.00 0.32 N ATOM 741 CA TYR A 46 8.222 -4.496 -10.179 1.00 0.39 C ATOM 742 C TYR A 46 8.404 -5.741 -11.043 1.00 0.43 C ATOM 743 O TYR A 46 7.719 -6.733 -10.848 1.00 0.78 O ATOM 744 CB TYR A 46 6.934 -3.772 -10.579 1.00 0.41 C ATOM 745 CG TYR A 46 6.827 -3.456 -12.055 1.00 0.47 C ATOM 746 CD1 TYR A 46 7.323 -2.239 -12.555 1.00 2.32 C ATOM 747 CD2 TYR A 46 6.235 -4.389 -12.928 1.00 1.87 C ATOM 748 CE1 TYR A 46 7.228 -1.953 -13.926 1.00 2.51 C ATOM 749 CE2 TYR A 46 6.142 -4.111 -14.301 1.00 1.89 C ATOM 750 CZ TYR A 46 6.639 -2.887 -14.806 1.00 1.07 C ATOM 751 OH TYR A 46 6.556 -2.602 -16.136 1.00 1.42 O ATOM 0 H TYR A 46 9.258 -2.929 -11.062 1.00 0.32 H new ATOM 0 HA TYR A 46 8.152 -4.807 -9.137 1.00 0.39 H new ATOM 0 HB2 TYR A 46 6.081 -4.386 -10.289 1.00 0.41 H new ATOM 0 HB3 TYR A 46 6.864 -2.842 -10.015 1.00 0.41 H new ATOM 0 HD1 TYR A 46 7.777 -1.524 -11.884 1.00 2.32 H new ATOM 0 HD2 TYR A 46 5.851 -5.321 -12.540 1.00 1.87 H new ATOM 0 HE1 TYR A 46 7.606 -1.017 -14.309 1.00 2.51 H new ATOM 0 HE2 TYR A 46 5.692 -4.830 -14.970 1.00 1.89 H new ATOM 0 HH TYR A 46 6.126 -3.348 -16.604 1.00 1.42 H new ATOM 761 N ASP A 47 9.319 -5.724 -12.015 1.00 0.37 N ATOM 762 CA ASP A 47 9.499 -6.860 -12.920 1.00 0.40 C ATOM 763 C ASP A 47 9.794 -8.131 -12.118 1.00 0.40 C ATOM 764 O ASP A 47 9.360 -9.231 -12.450 1.00 0.59 O ATOM 765 CB ASP A 47 10.647 -6.565 -13.898 1.00 0.44 C ATOM 766 CG ASP A 47 10.317 -6.941 -15.334 1.00 1.27 C ATOM 767 OD1 ASP A 47 11.206 -7.576 -15.945 1.00 2.46 O ATOM 768 OD2 ASP A 47 9.217 -6.564 -15.789 1.00 2.28 O ATOM 0 H ASP A 47 9.945 -4.939 -12.195 1.00 0.37 H new ATOM 0 HA ASP A 47 8.582 -7.015 -13.488 1.00 0.40 H new ATOM 0 HB2 ASP A 47 10.891 -5.504 -13.853 1.00 0.44 H new ATOM 0 HB3 ASP A 47 11.536 -7.110 -13.581 1.00 0.44 H new ATOM 773 N LYS A 48 10.555 -7.985 -11.031 1.00 0.28 N ATOM 774 CA LYS A 48 11.021 -9.119 -10.248 1.00 0.29 C ATOM 775 C LYS A 48 9.973 -9.569 -9.228 1.00 0.24 C ATOM 776 O LYS A 48 10.126 -10.645 -8.659 1.00 0.31 O ATOM 777 CB LYS A 48 12.367 -8.791 -9.576 1.00 0.36 C ATOM 778 CG LYS A 48 13.531 -8.746 -10.582 1.00 0.50 C ATOM 779 CD LYS A 48 13.598 -7.435 -11.374 1.00 0.96 C ATOM 780 CE LYS A 48 14.773 -7.420 -12.357 1.00 1.06 C ATOM 781 NZ LYS A 48 14.437 -8.016 -13.670 1.00 2.27 N ATOM 0 H LYS A 48 10.861 -7.080 -10.675 1.00 0.28 H new ATOM 0 HA LYS A 48 11.178 -9.958 -10.926 1.00 0.29 H new ATOM 0 HB2 LYS A 48 12.292 -7.829 -9.069 1.00 0.36 H new ATOM 0 HB3 LYS A 48 12.580 -9.538 -8.812 1.00 0.36 H new ATOM 0 HG2 LYS A 48 14.470 -8.888 -10.047 1.00 0.50 H new ATOM 0 HG3 LYS A 48 13.432 -9.579 -11.279 1.00 0.50 H new ATOM 0 HD2 LYS A 48 12.666 -7.293 -11.921 1.00 0.96 H new ATOM 0 HD3 LYS A 48 13.693 -6.598 -10.683 1.00 0.96 H new ATOM 0 HE2 LYS A 48 15.103 -6.392 -12.505 1.00 1.06 H new ATOM 0 HE3 LYS A 48 15.611 -7.964 -11.921 1.00 1.06 H new ATOM 0 HZ1 LYS A 48 15.270 -7.978 -14.292 1.00 2.27 H new ATOM 0 HZ2 LYS A 48 14.149 -9.006 -13.538 1.00 2.27 H new ATOM 0 HZ3 LYS A 48 13.656 -7.483 -14.104 1.00 2.27 H new ATOM 795 N GLY A 49 8.927 -8.779 -8.972 1.00 0.22 N ATOM 796 CA GLY A 49 7.989 -9.051 -7.896 1.00 0.24 C ATOM 797 C GLY A 49 7.251 -7.775 -7.492 1.00 0.30 C ATOM 798 O GLY A 49 7.321 -6.769 -8.186 1.00 0.46 O ATOM 0 H GLY A 49 8.713 -7.937 -9.507 1.00 0.22 H new ATOM 0 HA2 GLY A 49 7.272 -9.808 -8.214 1.00 0.24 H new ATOM 0 HA3 GLY A 49 8.521 -9.458 -7.036 1.00 0.24 H new ATOM 802 N ALA A 50 6.537 -7.790 -6.373 1.00 0.25 N ATOM 803 CA ALA A 50 5.680 -6.695 -5.954 1.00 0.33 C ATOM 804 C ALA A 50 5.753 -6.572 -4.438 1.00 0.30 C ATOM 805 O ALA A 50 6.660 -7.110 -3.805 1.00 0.30 O ATOM 806 CB ALA A 50 4.250 -6.978 -6.430 1.00 0.39 C ATOM 0 H ALA A 50 6.539 -8.576 -5.723 1.00 0.25 H new ATOM 0 HA ALA A 50 6.004 -5.750 -6.391 1.00 0.33 H new ATOM 0 HB1 ALA A 50 3.596 -6.163 -6.122 1.00 0.39 H new ATOM 0 HB2 ALA A 50 4.238 -7.062 -7.517 1.00 0.39 H new ATOM 0 HB3 ALA A 50 3.898 -7.911 -5.991 1.00 0.39 H new ATOM 812 N PHE A 51 4.782 -5.886 -3.843 1.00 0.34 N ATOM 813 CA PHE A 51 4.757 -5.618 -2.424 1.00 0.36 C ATOM 814 C PHE A 51 3.367 -5.992 -1.941 1.00 0.31 C ATOM 815 O PHE A 51 2.371 -5.488 -2.466 1.00 0.30 O ATOM 816 CB PHE A 51 5.100 -4.145 -2.193 1.00 0.51 C ATOM 817 CG PHE A 51 6.443 -3.768 -2.798 1.00 0.58 C ATOM 818 CD1 PHE A 51 7.621 -4.234 -2.194 1.00 1.59 C ATOM 819 CD2 PHE A 51 6.523 -3.085 -4.025 1.00 2.36 C ATOM 820 CE1 PHE A 51 8.870 -4.049 -2.811 1.00 1.46 C ATOM 821 CE2 PHE A 51 7.773 -2.904 -4.653 1.00 2.93 C ATOM 822 CZ PHE A 51 8.943 -3.399 -4.054 1.00 1.73 C ATOM 0 H PHE A 51 3.984 -5.499 -4.347 1.00 0.34 H new ATOM 0 HA PHE A 51 5.492 -6.197 -1.864 1.00 0.36 H new ATOM 0 HB2 PHE A 51 4.320 -3.519 -2.626 1.00 0.51 H new ATOM 0 HB3 PHE A 51 5.115 -3.940 -1.122 1.00 0.51 H new ATOM 0 HD1 PHE A 51 7.567 -4.742 -1.242 1.00 1.59 H new ATOM 0 HD2 PHE A 51 5.626 -2.699 -4.487 1.00 2.36 H new ATOM 0 HE1 PHE A 51 9.770 -4.405 -2.332 1.00 1.46 H new ATOM 0 HE2 PHE A 51 7.831 -2.383 -5.597 1.00 2.93 H new ATOM 0 HZ PHE A 51 9.896 -3.280 -4.548 1.00 1.73 H new ATOM 832 N ARG A 52 3.291 -6.934 -1.001 1.00 0.36 N ATOM 833 CA ARG A 52 2.007 -7.387 -0.498 1.00 0.30 C ATOM 834 C ARG A 52 1.621 -6.495 0.652 1.00 0.27 C ATOM 835 O ARG A 52 2.459 -6.226 1.516 1.00 0.34 O ATOM 836 CB ARG A 52 2.087 -8.831 -0.014 1.00 0.37 C ATOM 837 CG ARG A 52 0.685 -9.440 -0.013 1.00 0.45 C ATOM 838 CD ARG A 52 0.681 -10.918 0.381 1.00 0.45 C ATOM 839 NE ARG A 52 -0.691 -11.461 0.368 1.00 0.99 N ATOM 840 CZ ARG A 52 -1.061 -12.696 -0.008 1.00 1.71 C ATOM 841 NH1 ARG A 52 -2.338 -13.073 0.107 1.00 2.36 N ATOM 842 NH2 ARG A 52 -0.170 -13.559 -0.497 1.00 2.13 N ATOM 0 H ARG A 52 4.099 -7.391 -0.579 1.00 0.36 H new ATOM 0 HA ARG A 52 1.267 -7.341 -1.297 1.00 0.30 H new ATOM 0 HB2 ARG A 52 2.747 -9.408 -0.662 1.00 0.37 H new ATOM 0 HB3 ARG A 52 2.513 -8.868 0.989 1.00 0.37 H new ATOM 0 HG2 ARG A 52 0.052 -8.883 0.678 1.00 0.45 H new ATOM 0 HG3 ARG A 52 0.246 -9.332 -1.005 1.00 0.45 H new ATOM 0 HD2 ARG A 52 1.307 -11.484 -0.308 1.00 0.45 H new ATOM 0 HD3 ARG A 52 1.114 -11.035 1.375 1.00 0.45 H new ATOM 0 HE ARG A 52 -1.434 -10.834 0.676 1.00 0.99 H new ATOM 0 HH11 ARG A 52 -3.030 -12.423 0.480 1.00 2.36 H new ATOM 0 HH12 ARG A 52 -2.621 -14.011 -0.178 1.00 2.36 H new ATOM 0 HH21 ARG A 52 0.808 -13.285 -0.590 1.00 2.13 H new ATOM 0 HH22 ARG A 52 -0.466 -14.494 -0.778 1.00 2.13 H new ATOM 856 N ILE A 53 0.361 -6.077 0.696 1.00 0.21 N ATOM 857 CA ILE A 53 -0.117 -5.214 1.746 1.00 0.22 C ATOM 858 C ILE A 53 -1.451 -5.735 2.255 1.00 0.19 C ATOM 859 O ILE A 53 -2.186 -6.424 1.548 1.00 0.26 O ATOM 860 CB ILE A 53 -0.163 -3.753 1.263 1.00 0.22 C ATOM 861 CG1 ILE A 53 -1.230 -3.460 0.198 1.00 0.20 C ATOM 862 CG2 ILE A 53 1.205 -3.374 0.684 1.00 0.24 C ATOM 863 CD1 ILE A 53 -1.536 -1.963 0.199 1.00 0.23 C ATOM 0 H ILE A 53 -0.346 -6.330 0.006 1.00 0.21 H new ATOM 0 HA ILE A 53 0.571 -5.223 2.591 1.00 0.22 H new ATOM 0 HB ILE A 53 -0.426 -3.161 2.140 1.00 0.22 H new ATOM 0 HG12 ILE A 53 -0.876 -3.771 -0.785 1.00 0.20 H new ATOM 0 HG13 ILE A 53 -2.136 -4.030 0.406 1.00 0.20 H new ATOM 0 HG21 ILE A 53 1.181 -2.340 0.340 1.00 0.24 H new ATOM 0 HG22 ILE A 53 1.969 -3.482 1.454 1.00 0.24 H new ATOM 0 HG23 ILE A 53 1.440 -4.030 -0.154 1.00 0.24 H new ATOM 0 HD11 ILE A 53 -2.293 -1.746 -0.555 1.00 0.23 H new ATOM 0 HD12 ILE A 53 -1.906 -1.668 1.181 1.00 0.23 H new ATOM 0 HD13 ILE A 53 -0.627 -1.406 -0.029 1.00 0.23 H new ATOM 875 N GLU A 54 -1.745 -5.406 3.505 1.00 0.15 N ATOM 876 CA GLU A 54 -2.944 -5.830 4.186 1.00 0.15 C ATOM 877 C GLU A 54 -3.495 -4.573 4.836 1.00 0.17 C ATOM 878 O GLU A 54 -2.770 -3.880 5.554 1.00 0.27 O ATOM 879 CB GLU A 54 -2.545 -6.915 5.184 1.00 0.18 C ATOM 880 CG GLU A 54 -3.701 -7.410 6.050 1.00 0.30 C ATOM 881 CD GLU A 54 -3.149 -8.470 6.998 1.00 0.57 C ATOM 882 OE1 GLU A 54 -3.251 -9.667 6.663 1.00 1.25 O ATOM 883 OE2 GLU A 54 -2.502 -8.060 7.991 1.00 1.63 O ATOM 0 H GLU A 54 -1.137 -4.823 4.081 1.00 0.15 H new ATOM 0 HA GLU A 54 -3.712 -6.263 3.545 1.00 0.15 H new ATOM 0 HB2 GLU A 54 -2.124 -7.760 4.639 1.00 0.18 H new ATOM 0 HB3 GLU A 54 -1.758 -6.529 5.831 1.00 0.18 H new ATOM 0 HG2 GLU A 54 -4.139 -6.585 6.612 1.00 0.30 H new ATOM 0 HG3 GLU A 54 -4.493 -7.828 5.428 1.00 0.30 H new ATOM 890 N ILE A 55 -4.740 -4.231 4.517 1.00 0.16 N ATOM 891 CA ILE A 55 -5.375 -3.007 4.971 1.00 0.16 C ATOM 892 C ILE A 55 -6.427 -3.460 5.961 1.00 0.18 C ATOM 893 O ILE A 55 -7.037 -4.509 5.791 1.00 0.63 O ATOM 894 CB ILE A 55 -6.017 -2.227 3.809 1.00 0.17 C ATOM 895 CG1 ILE A 55 -5.089 -2.085 2.585 1.00 0.25 C ATOM 896 CG2 ILE A 55 -6.457 -0.833 4.278 1.00 0.28 C ATOM 897 CD1 ILE A 55 -5.829 -2.442 1.299 1.00 0.80 C ATOM 0 H ILE A 55 -5.341 -4.807 3.928 1.00 0.16 H new ATOM 0 HA ILE A 55 -4.651 -2.324 5.415 1.00 0.16 H new ATOM 0 HB ILE A 55 -6.882 -2.810 3.494 1.00 0.17 H new ATOM 0 HG12 ILE A 55 -4.715 -1.063 2.523 1.00 0.25 H new ATOM 0 HG13 ILE A 55 -4.222 -2.735 2.703 1.00 0.25 H new ATOM 0 HG21 ILE A 55 -6.909 -0.295 3.445 1.00 0.28 H new ATOM 0 HG22 ILE A 55 -7.185 -0.933 5.083 1.00 0.28 H new ATOM 0 HG23 ILE A 55 -5.590 -0.280 4.640 1.00 0.28 H new ATOM 0 HD11 ILE A 55 -5.155 -2.335 0.449 1.00 0.80 H new ATOM 0 HD12 ILE A 55 -6.180 -3.472 1.355 1.00 0.80 H new ATOM 0 HD13 ILE A 55 -6.681 -1.774 1.172 1.00 0.80 H new ATOM 909 N ASN A 56 -6.649 -2.680 7.004 1.00 0.56 N ATOM 910 CA ASN A 56 -7.446 -3.093 8.128 1.00 0.42 C ATOM 911 C ASN A 56 -8.480 -2.007 8.271 1.00 0.39 C ATOM 912 O ASN A 56 -8.144 -0.865 8.588 1.00 0.46 O ATOM 913 CB ASN A 56 -6.583 -3.235 9.388 1.00 0.46 C ATOM 914 CG ASN A 56 -5.579 -4.370 9.256 1.00 0.47 C ATOM 915 OD1 ASN A 56 -5.749 -5.424 9.852 1.00 1.99 O ATOM 916 ND2 ASN A 56 -4.531 -4.178 8.466 1.00 1.79 N ATOM 0 H ASN A 56 -6.274 -1.735 7.088 1.00 0.56 H new ATOM 0 HA ASN A 56 -7.906 -4.071 7.984 1.00 0.42 H new ATOM 0 HB2 ASN A 56 -6.054 -2.300 9.574 1.00 0.46 H new ATOM 0 HB3 ASN A 56 -7.225 -3.415 10.250 1.00 0.46 H new ATOM 0 HD21 ASN A 56 -3.842 -4.920 8.344 1.00 1.79 H new ATOM 0 HD22 ASN A 56 -4.414 -3.288 7.981 1.00 1.79 H new ATOM 923 N PHE A 57 -9.719 -2.367 7.962 1.00 0.36 N ATOM 924 CA PHE A 57 -10.813 -1.430 7.818 1.00 0.36 C ATOM 925 C PHE A 57 -11.870 -1.838 8.835 1.00 0.34 C ATOM 926 O PHE A 57 -12.815 -2.546 8.503 1.00 0.43 O ATOM 927 CB PHE A 57 -11.299 -1.456 6.358 1.00 0.39 C ATOM 928 CG PHE A 57 -11.150 -0.139 5.637 1.00 0.49 C ATOM 929 CD1 PHE A 57 -12.174 0.818 5.689 1.00 1.78 C ATOM 930 CD2 PHE A 57 -9.998 0.110 4.878 1.00 2.01 C ATOM 931 CE1 PHE A 57 -12.052 2.019 4.969 1.00 1.71 C ATOM 932 CE2 PHE A 57 -9.858 1.323 4.186 1.00 2.24 C ATOM 933 CZ PHE A 57 -10.889 2.274 4.225 1.00 0.98 C ATOM 0 H PHE A 57 -9.991 -3.337 7.803 1.00 0.36 H new ATOM 0 HA PHE A 57 -10.531 -0.396 8.019 1.00 0.36 H new ATOM 0 HB2 PHE A 57 -10.744 -2.221 5.815 1.00 0.39 H new ATOM 0 HB3 PHE A 57 -12.348 -1.751 6.340 1.00 0.39 H new ATOM 0 HD1 PHE A 57 -13.057 0.632 6.283 1.00 1.78 H new ATOM 0 HD2 PHE A 57 -9.216 -0.633 4.826 1.00 2.01 H new ATOM 0 HE1 PHE A 57 -12.852 2.745 4.988 1.00 1.71 H new ATOM 0 HE2 PHE A 57 -8.958 1.524 3.624 1.00 2.24 H new ATOM 0 HZ PHE A 57 -10.788 3.202 3.683 1.00 0.98 H new ATOM 943 N PRO A 58 -11.691 -1.463 10.108 1.00 0.30 N ATOM 944 CA PRO A 58 -12.534 -1.961 11.178 1.00 0.34 C ATOM 945 C PRO A 58 -13.954 -1.418 11.030 1.00 0.35 C ATOM 946 O PRO A 58 -14.223 -0.541 10.210 1.00 0.33 O ATOM 947 CB PRO A 58 -11.854 -1.498 12.471 1.00 0.39 C ATOM 948 CG PRO A 58 -11.089 -0.245 12.044 1.00 0.35 C ATOM 949 CD PRO A 58 -10.657 -0.580 10.618 1.00 0.31 C ATOM 0 HA PRO A 58 -12.637 -3.046 11.168 1.00 0.34 H new ATOM 0 HB2 PRO A 58 -12.583 -1.277 13.251 1.00 0.39 H new ATOM 0 HB3 PRO A 58 -11.184 -2.261 12.868 1.00 0.39 H new ATOM 0 HG2 PRO A 58 -11.719 0.644 12.077 1.00 0.35 H new ATOM 0 HG3 PRO A 58 -10.233 -0.054 12.691 1.00 0.35 H new ATOM 0 HD2 PRO A 58 -10.572 0.321 10.010 1.00 0.31 H new ATOM 0 HD3 PRO A 58 -9.682 -1.066 10.605 1.00 0.31 H new ATOM 957 N ALA A 59 -14.878 -1.905 11.861 1.00 0.44 N ATOM 958 CA ALA A 59 -16.228 -1.358 11.880 1.00 0.48 C ATOM 959 C ALA A 59 -16.205 0.141 12.135 1.00 0.41 C ATOM 960 O ALA A 59 -17.031 0.875 11.604 1.00 0.40 O ATOM 961 CB ALA A 59 -17.088 -2.073 12.912 1.00 0.57 C ATOM 0 H ALA A 59 -14.716 -2.667 12.520 1.00 0.44 H new ATOM 0 HA ALA A 59 -16.672 -1.523 10.898 1.00 0.48 H new ATOM 0 HB1 ALA A 59 -18.091 -1.647 12.908 1.00 0.57 H new ATOM 0 HB2 ALA A 59 -17.143 -3.134 12.668 1.00 0.57 H new ATOM 0 HB3 ALA A 59 -16.646 -1.951 13.901 1.00 0.57 H new ATOM 967 N GLU A 60 -15.224 0.594 12.910 1.00 0.37 N ATOM 968 CA GLU A 60 -14.990 1.996 13.175 1.00 0.30 C ATOM 969 C GLU A 60 -14.317 2.720 12.010 1.00 0.22 C ATOM 970 O GLU A 60 -13.710 3.756 12.234 1.00 0.24 O ATOM 971 CB GLU A 60 -14.118 2.114 14.425 1.00 0.42 C ATOM 972 CG GLU A 60 -14.882 1.590 15.637 1.00 0.69 C ATOM 973 CD GLU A 60 -14.222 2.108 16.918 1.00 1.15 C ATOM 974 OE1 GLU A 60 -13.602 1.292 17.629 1.00 1.43 O ATOM 975 OE2 GLU A 60 -14.302 3.339 17.151 1.00 2.67 O ATOM 0 H GLU A 60 -14.560 -0.023 13.378 1.00 0.37 H new ATOM 0 HA GLU A 60 -15.959 2.474 13.321 1.00 0.30 H new ATOM 0 HB2 GLU A 60 -13.196 1.548 14.292 1.00 0.42 H new ATOM 0 HB3 GLU A 60 -13.833 3.154 14.584 1.00 0.42 H new ATOM 0 HG2 GLU A 60 -15.922 1.915 15.594 1.00 0.69 H new ATOM 0 HG3 GLU A 60 -14.888 0.500 15.633 1.00 0.69 H new ATOM 982 N TYR A 61 -14.447 2.262 10.766 1.00 0.21 N ATOM 983 CA TYR A 61 -13.951 3.030 9.624 1.00 0.23 C ATOM 984 C TYR A 61 -14.480 4.474 9.625 1.00 0.24 C ATOM 985 O TYR A 61 -13.697 5.418 9.519 1.00 0.27 O ATOM 986 CB TYR A 61 -14.203 2.271 8.309 1.00 0.35 C ATOM 987 CG TYR A 61 -14.787 3.070 7.152 1.00 0.40 C ATOM 988 CD1 TYR A 61 -14.133 4.225 6.682 1.00 1.79 C ATOM 989 CD2 TYR A 61 -15.999 2.670 6.557 1.00 2.07 C ATOM 990 CE1 TYR A 61 -14.710 4.995 5.661 1.00 1.74 C ATOM 991 CE2 TYR A 61 -16.568 3.422 5.516 1.00 2.17 C ATOM 992 CZ TYR A 61 -15.932 4.599 5.072 1.00 0.60 C ATOM 993 OH TYR A 61 -16.513 5.352 4.096 1.00 0.72 O ATOM 0 H TYR A 61 -14.886 1.374 10.524 1.00 0.21 H new ATOM 0 HA TYR A 61 -12.870 3.131 9.717 1.00 0.23 H new ATOM 0 HB2 TYR A 61 -13.258 1.840 7.980 1.00 0.35 H new ATOM 0 HB3 TYR A 61 -14.876 1.440 8.521 1.00 0.35 H new ATOM 0 HD1 TYR A 61 -13.185 4.519 7.108 1.00 1.79 H new ATOM 0 HD2 TYR A 61 -16.496 1.776 6.904 1.00 2.07 H new ATOM 0 HE1 TYR A 61 -14.218 5.895 5.323 1.00 1.74 H new ATOM 0 HE2 TYR A 61 -17.491 3.099 5.057 1.00 2.17 H new ATOM 0 HH TYR A 61 -16.374 6.303 4.290 1.00 0.72 H new ATOM 1003 N PRO A 62 -15.791 4.719 9.756 1.00 0.29 N ATOM 1004 CA PRO A 62 -16.274 6.085 9.767 1.00 0.35 C ATOM 1005 C PRO A 62 -15.955 6.791 11.094 1.00 0.36 C ATOM 1006 O PRO A 62 -16.235 7.977 11.220 1.00 0.49 O ATOM 1007 CB PRO A 62 -17.774 5.975 9.487 1.00 0.42 C ATOM 1008 CG PRO A 62 -18.148 4.611 10.066 1.00 0.39 C ATOM 1009 CD PRO A 62 -16.883 3.771 9.891 1.00 0.32 C ATOM 0 HA PRO A 62 -15.784 6.704 9.016 1.00 0.35 H new ATOM 0 HB2 PRO A 62 -18.331 6.780 9.966 1.00 0.42 H new ATOM 0 HB3 PRO A 62 -17.988 6.030 8.420 1.00 0.42 H new ATOM 0 HG2 PRO A 62 -18.433 4.688 11.115 1.00 0.39 H new ATOM 0 HG3 PRO A 62 -18.994 4.172 9.537 1.00 0.39 H new ATOM 0 HD2 PRO A 62 -16.728 3.116 10.748 1.00 0.32 H new ATOM 0 HD3 PRO A 62 -16.957 3.132 9.011 1.00 0.32 H new ATOM 1017 N PHE A 63 -15.392 6.083 12.081 1.00 0.27 N ATOM 1018 CA PHE A 63 -14.979 6.600 13.380 1.00 0.29 C ATOM 1019 C PHE A 63 -13.480 6.908 13.492 1.00 0.30 C ATOM 1020 O PHE A 63 -13.111 7.707 14.349 1.00 0.36 O ATOM 1021 CB PHE A 63 -15.372 5.601 14.477 1.00 0.30 C ATOM 1022 CG PHE A 63 -16.536 6.021 15.346 1.00 0.37 C ATOM 1023 CD1 PHE A 63 -17.638 5.164 15.522 1.00 1.71 C ATOM 1024 CD2 PHE A 63 -16.485 7.251 16.028 1.00 1.89 C ATOM 1025 CE1 PHE A 63 -18.693 5.543 16.370 1.00 1.71 C ATOM 1026 CE2 PHE A 63 -17.543 7.630 16.873 1.00 2.00 C ATOM 1027 CZ PHE A 63 -18.646 6.777 17.043 1.00 0.78 C ATOM 0 H PHE A 63 -15.205 5.085 11.985 1.00 0.27 H new ATOM 0 HA PHE A 63 -15.496 7.552 13.502 1.00 0.29 H new ATOM 0 HB2 PHE A 63 -15.616 4.648 14.007 1.00 0.30 H new ATOM 0 HB3 PHE A 63 -14.506 5.429 15.116 1.00 0.30 H new ATOM 0 HD1 PHE A 63 -17.673 4.216 15.006 1.00 1.71 H new ATOM 0 HD2 PHE A 63 -15.634 7.903 15.902 1.00 1.89 H new ATOM 0 HE1 PHE A 63 -19.540 4.886 16.505 1.00 1.71 H new ATOM 0 HE2 PHE A 63 -17.508 8.577 17.391 1.00 2.00 H new ATOM 0 HZ PHE A 63 -19.459 7.069 17.691 1.00 0.78 H new ATOM 1037 N LYS A 64 -12.610 6.241 12.726 1.00 0.27 N ATOM 1038 CA LYS A 64 -11.155 6.385 12.786 1.00 0.30 C ATOM 1039 C LYS A 64 -10.577 5.946 11.449 1.00 0.36 C ATOM 1040 O LYS A 64 -11.185 5.136 10.755 1.00 0.43 O ATOM 1041 CB LYS A 64 -10.529 5.496 13.879 1.00 0.34 C ATOM 1042 CG LYS A 64 -10.621 6.105 15.284 1.00 2.27 C ATOM 1043 CD LYS A 64 -11.666 5.373 16.130 1.00 2.73 C ATOM 1044 CE LYS A 64 -12.318 6.328 17.130 1.00 4.59 C ATOM 1045 NZ LYS A 64 -13.375 5.638 17.900 1.00 5.37 N ATOM 0 H LYS A 64 -12.911 5.564 12.025 1.00 0.27 H new ATOM 0 HA LYS A 64 -10.930 7.427 13.014 1.00 0.30 H new ATOM 0 HB2 LYS A 64 -11.027 4.526 13.878 1.00 0.34 H new ATOM 0 HB3 LYS A 64 -9.482 5.317 13.636 1.00 0.34 H new ATOM 0 HG2 LYS A 64 -9.648 6.050 15.773 1.00 2.27 H new ATOM 0 HG3 LYS A 64 -10.882 7.161 15.211 1.00 2.27 H new ATOM 0 HD2 LYS A 64 -12.429 4.942 15.482 1.00 2.73 H new ATOM 0 HD3 LYS A 64 -11.196 4.546 16.663 1.00 2.73 H new ATOM 0 HE2 LYS A 64 -11.563 6.720 17.811 1.00 4.59 H new ATOM 0 HE3 LYS A 64 -12.744 7.181 16.601 1.00 4.59 H new ATOM 0 HZ1 LYS A 64 -14.251 6.197 17.865 1.00 5.37 H new ATOM 0 HZ2 LYS A 64 -13.547 4.698 17.489 1.00 5.37 H new ATOM 0 HZ3 LYS A 64 -13.071 5.533 18.889 1.00 5.37 H new ATOM 1059 N PRO A 65 -9.389 6.430 11.073 1.00 0.36 N ATOM 1060 CA PRO A 65 -8.775 6.007 9.835 1.00 0.38 C ATOM 1061 C PRO A 65 -8.316 4.544 9.949 1.00 0.37 C ATOM 1062 O PRO A 65 -7.960 4.084 11.034 1.00 0.38 O ATOM 1063 CB PRO A 65 -7.611 6.970 9.624 1.00 0.38 C ATOM 1064 CG PRO A 65 -7.210 7.367 11.044 1.00 0.35 C ATOM 1065 CD PRO A 65 -8.536 7.347 11.807 1.00 0.31 C ATOM 0 HA PRO A 65 -9.457 6.036 8.986 1.00 0.38 H new ATOM 0 HB2 PRO A 65 -6.787 6.493 9.094 1.00 0.38 H new ATOM 0 HB3 PRO A 65 -7.910 7.837 9.035 1.00 0.38 H new ATOM 0 HG2 PRO A 65 -6.491 6.666 11.469 1.00 0.35 H new ATOM 0 HG3 PRO A 65 -6.747 8.353 11.070 1.00 0.35 H new ATOM 0 HD2 PRO A 65 -8.393 7.013 12.835 1.00 0.31 H new ATOM 0 HD3 PRO A 65 -8.978 8.342 11.854 1.00 0.31 H new ATOM 1073 N PRO A 66 -8.323 3.811 8.830 1.00 0.39 N ATOM 1074 CA PRO A 66 -7.863 2.432 8.741 1.00 0.41 C ATOM 1075 C PRO A 66 -6.337 2.373 8.839 1.00 0.42 C ATOM 1076 O PRO A 66 -5.661 3.399 8.778 1.00 0.46 O ATOM 1077 CB PRO A 66 -8.356 1.940 7.376 1.00 0.50 C ATOM 1078 CG PRO A 66 -8.375 3.220 6.547 1.00 0.50 C ATOM 1079 CD PRO A 66 -8.751 4.306 7.541 1.00 0.45 C ATOM 0 HA PRO A 66 -8.244 1.810 9.551 1.00 0.41 H new ATOM 0 HB2 PRO A 66 -7.688 1.191 6.950 1.00 0.50 H new ATOM 0 HB3 PRO A 66 -9.344 1.485 7.442 1.00 0.50 H new ATOM 0 HG2 PRO A 66 -7.403 3.415 6.094 1.00 0.50 H new ATOM 0 HG3 PRO A 66 -9.099 3.157 5.734 1.00 0.50 H new ATOM 0 HD2 PRO A 66 -8.259 5.248 7.299 1.00 0.45 H new ATOM 0 HD3 PRO A 66 -9.824 4.495 7.529 1.00 0.45 H new ATOM 1087 N LYS A 67 -5.771 1.166 8.945 1.00 0.41 N ATOM 1088 CA LYS A 67 -4.324 0.988 9.042 1.00 0.39 C ATOM 1089 C LYS A 67 -3.857 -0.078 8.067 1.00 0.22 C ATOM 1090 O LYS A 67 -4.593 -1.006 7.751 1.00 0.37 O ATOM 1091 CB LYS A 67 -3.914 0.632 10.481 1.00 0.54 C ATOM 1092 CG LYS A 67 -3.520 1.878 11.295 1.00 1.27 C ATOM 1093 CD LYS A 67 -2.147 1.687 11.956 1.00 1.11 C ATOM 1094 CE LYS A 67 -2.254 0.749 13.165 1.00 2.11 C ATOM 1095 NZ LYS A 67 -1.018 -0.041 13.378 1.00 2.62 N ATOM 0 H LYS A 67 -6.300 0.294 8.966 1.00 0.41 H new ATOM 0 HA LYS A 67 -3.841 1.929 8.779 1.00 0.39 H new ATOM 0 HB2 LYS A 67 -4.739 0.121 10.977 1.00 0.54 H new ATOM 0 HB3 LYS A 67 -3.076 -0.065 10.457 1.00 0.54 H new ATOM 0 HG2 LYS A 67 -3.496 2.751 10.643 1.00 1.27 H new ATOM 0 HG3 LYS A 67 -4.273 2.071 12.059 1.00 1.27 H new ATOM 0 HD2 LYS A 67 -1.443 1.277 11.232 1.00 1.11 H new ATOM 0 HD3 LYS A 67 -1.752 2.653 12.272 1.00 1.11 H new ATOM 0 HE2 LYS A 67 -2.466 1.336 14.059 1.00 2.11 H new ATOM 0 HE3 LYS A 67 -3.095 0.071 13.022 1.00 2.11 H new ATOM 0 HZ1 LYS A 67 -1.139 -0.659 14.206 1.00 2.62 H new ATOM 0 HZ2 LYS A 67 -0.828 -0.622 12.537 1.00 2.62 H new ATOM 0 HZ3 LYS A 67 -0.218 0.603 13.541 1.00 2.62 H new ATOM 1109 N ILE A 68 -2.618 0.041 7.602 1.00 0.20 N ATOM 1110 CA ILE A 68 -2.063 -0.815 6.570 1.00 0.17 C ATOM 1111 C ILE A 68 -0.756 -1.343 7.128 1.00 0.17 C ATOM 1112 O ILE A 68 -0.086 -0.651 7.898 1.00 0.23 O ATOM 1113 CB ILE A 68 -1.830 -0.044 5.248 1.00 0.16 C ATOM 1114 CG1 ILE A 68 -2.778 1.156 5.063 1.00 0.20 C ATOM 1115 CG2 ILE A 68 -1.948 -1.005 4.055 1.00 0.20 C ATOM 1116 CD1 ILE A 68 -2.266 2.079 3.965 1.00 0.34 C ATOM 0 H ILE A 68 -1.964 0.747 7.940 1.00 0.20 H new ATOM 0 HA ILE A 68 -2.752 -1.623 6.324 1.00 0.17 H new ATOM 0 HB ILE A 68 -0.822 0.368 5.299 1.00 0.16 H new ATOM 0 HG12 ILE A 68 -3.777 0.801 4.811 1.00 0.20 H new ATOM 0 HG13 ILE A 68 -2.862 1.708 5.999 1.00 0.20 H new ATOM 0 HG21 ILE A 68 -1.783 -0.456 3.128 1.00 0.20 H new ATOM 0 HG22 ILE A 68 -1.201 -1.793 4.148 1.00 0.20 H new ATOM 0 HG23 ILE A 68 -2.944 -1.448 4.042 1.00 0.20 H new ATOM 0 HD11 ILE A 68 -2.949 2.921 3.849 1.00 0.34 H new ATOM 0 HD12 ILE A 68 -1.276 2.449 4.233 1.00 0.34 H new ATOM 0 HD13 ILE A 68 -2.206 1.529 3.026 1.00 0.34 H new ATOM 1128 N THR A 69 -0.376 -2.561 6.769 1.00 0.15 N ATOM 1129 CA THR A 69 0.936 -3.062 7.117 1.00 0.18 C ATOM 1130 C THR A 69 1.376 -3.980 5.984 1.00 0.17 C ATOM 1131 O THR A 69 0.652 -4.906 5.611 1.00 0.22 O ATOM 1132 CB THR A 69 0.876 -3.787 8.470 1.00 0.27 C ATOM 1133 OG1 THR A 69 0.147 -3.031 9.416 1.00 0.40 O ATOM 1134 CG2 THR A 69 2.275 -3.999 9.044 1.00 0.23 C ATOM 0 H THR A 69 -0.956 -3.213 6.241 1.00 0.15 H new ATOM 0 HA THR A 69 1.662 -2.257 7.231 1.00 0.18 H new ATOM 0 HB THR A 69 0.390 -4.746 8.288 1.00 0.27 H new ATOM 0 HG1 THR A 69 0.121 -3.512 10.269 1.00 0.40 H new ATOM 0 HG21 THR A 69 2.201 -4.514 10.002 1.00 0.23 H new ATOM 0 HG22 THR A 69 2.865 -4.601 8.353 1.00 0.23 H new ATOM 0 HG23 THR A 69 2.759 -3.033 9.188 1.00 0.23 H new ATOM 1142 N PHE A 70 2.537 -3.705 5.391 1.00 0.16 N ATOM 1143 CA PHE A 70 3.071 -4.550 4.340 1.00 0.17 C ATOM 1144 C PHE A 70 3.456 -5.887 4.963 1.00 0.20 C ATOM 1145 O PHE A 70 4.004 -5.936 6.062 1.00 0.25 O ATOM 1146 CB PHE A 70 4.267 -3.890 3.636 1.00 0.16 C ATOM 1147 CG PHE A 70 3.933 -2.746 2.687 1.00 0.15 C ATOM 1148 CD1 PHE A 70 3.063 -1.695 3.050 1.00 0.14 C ATOM 1149 CD2 PHE A 70 4.508 -2.738 1.402 1.00 0.19 C ATOM 1150 CE1 PHE A 70 2.820 -0.635 2.161 1.00 0.14 C ATOM 1151 CE2 PHE A 70 4.284 -1.667 0.519 1.00 0.20 C ATOM 1152 CZ PHE A 70 3.452 -0.604 0.908 1.00 0.17 C ATOM 0 H PHE A 70 3.121 -2.902 5.625 1.00 0.16 H new ATOM 0 HA PHE A 70 2.315 -4.704 3.570 1.00 0.17 H new ATOM 0 HB2 PHE A 70 4.951 -3.516 4.398 1.00 0.16 H new ATOM 0 HB3 PHE A 70 4.802 -4.657 3.076 1.00 0.16 H new ATOM 0 HD1 PHE A 70 2.582 -1.706 4.017 1.00 0.14 H new ATOM 0 HD2 PHE A 70 5.129 -3.565 1.091 1.00 0.19 H new ATOM 0 HE1 PHE A 70 2.144 0.159 2.443 1.00 0.14 H new ATOM 0 HE2 PHE A 70 4.750 -1.662 -0.455 1.00 0.20 H new ATOM 0 HZ PHE A 70 3.299 0.235 0.245 1.00 0.17 H new ATOM 1162 N LYS A 71 3.133 -6.982 4.277 1.00 0.28 N ATOM 1163 CA LYS A 71 3.563 -8.311 4.680 1.00 0.33 C ATOM 1164 C LYS A 71 4.975 -8.552 4.160 1.00 0.34 C ATOM 1165 O LYS A 71 5.784 -9.177 4.840 1.00 0.39 O ATOM 1166 CB LYS A 71 2.609 -9.379 4.134 1.00 0.38 C ATOM 1167 CG LYS A 71 1.120 -9.122 4.418 1.00 0.47 C ATOM 1168 CD LYS A 71 0.732 -9.254 5.894 1.00 0.68 C ATOM 1169 CE LYS A 71 0.957 -7.951 6.670 1.00 0.96 C ATOM 1170 NZ LYS A 71 0.312 -8.009 7.999 1.00 1.43 N ATOM 0 H LYS A 71 2.567 -6.968 3.429 1.00 0.28 H new ATOM 0 HA LYS A 71 3.554 -8.377 5.768 1.00 0.33 H new ATOM 0 HB2 LYS A 71 2.751 -9.455 3.056 1.00 0.38 H new ATOM 0 HB3 LYS A 71 2.884 -10.344 4.560 1.00 0.38 H new ATOM 0 HG2 LYS A 71 0.864 -8.120 4.074 1.00 0.47 H new ATOM 0 HG3 LYS A 71 0.524 -9.822 3.833 1.00 0.47 H new ATOM 0 HD2 LYS A 71 -0.316 -9.543 5.968 1.00 0.68 H new ATOM 0 HD3 LYS A 71 1.316 -10.053 6.351 1.00 0.68 H new ATOM 0 HE2 LYS A 71 2.026 -7.773 6.788 1.00 0.96 H new ATOM 0 HE3 LYS A 71 0.555 -7.111 6.103 1.00 0.96 H new ATOM 0 HZ1 LYS A 71 0.576 -7.168 8.550 1.00 1.43 H new ATOM 0 HZ2 LYS A 71 -0.721 -8.036 7.883 1.00 1.43 H new ATOM 0 HZ3 LYS A 71 0.626 -8.864 8.500 1.00 1.43 H new ATOM 1184 N THR A 72 5.273 -8.097 2.942 1.00 0.34 N ATOM 1185 CA THR A 72 6.616 -8.253 2.417 1.00 0.36 C ATOM 1186 C THR A 72 7.505 -7.146 2.974 1.00 0.45 C ATOM 1187 O THR A 72 7.014 -6.104 3.402 1.00 0.65 O ATOM 1188 CB THR A 72 6.596 -8.211 0.889 1.00 0.29 C ATOM 1189 OG1 THR A 72 5.949 -7.034 0.438 1.00 0.33 O ATOM 1190 CG2 THR A 72 5.845 -9.425 0.324 1.00 0.21 C ATOM 0 H THR A 72 4.615 -7.629 2.319 1.00 0.34 H new ATOM 0 HA THR A 72 7.016 -9.220 2.723 1.00 0.36 H new ATOM 0 HB THR A 72 7.629 -8.225 0.542 1.00 0.29 H new ATOM 0 HG1 THR A 72 6.609 -6.431 0.037 1.00 0.33 H new ATOM 0 HG21 THR A 72 5.842 -9.376 -0.765 1.00 0.21 H new ATOM 0 HG22 THR A 72 6.341 -10.341 0.645 1.00 0.21 H new ATOM 0 HG23 THR A 72 4.818 -9.420 0.690 1.00 0.21 H new ATOM 1198 N LYS A 73 8.824 -7.339 2.902 1.00 0.34 N ATOM 1199 CA LYS A 73 9.776 -6.285 3.212 1.00 0.31 C ATOM 1200 C LYS A 73 9.555 -5.083 2.298 1.00 0.46 C ATOM 1201 O LYS A 73 9.025 -5.223 1.194 1.00 0.89 O ATOM 1202 CB LYS A 73 11.209 -6.804 3.050 1.00 0.34 C ATOM 1203 CG LYS A 73 11.546 -7.959 3.993 1.00 0.84 C ATOM 1204 CD LYS A 73 11.295 -7.556 5.444 1.00 0.55 C ATOM 1205 CE LYS A 73 12.064 -8.469 6.405 1.00 0.60 C ATOM 1206 NZ LYS A 73 11.534 -9.850 6.412 1.00 1.87 N ATOM 0 H LYS A 73 9.253 -8.223 2.629 1.00 0.34 H new ATOM 0 HA LYS A 73 9.624 -5.974 4.246 1.00 0.31 H new ATOM 0 HB2 LYS A 73 11.355 -7.131 2.020 1.00 0.34 H new ATOM 0 HB3 LYS A 73 11.906 -5.985 3.227 1.00 0.34 H new ATOM 0 HG2 LYS A 73 10.941 -8.830 3.741 1.00 0.84 H new ATOM 0 HG3 LYS A 73 12.589 -8.248 3.865 1.00 0.84 H new ATOM 0 HD2 LYS A 73 11.601 -6.521 5.596 1.00 0.55 H new ATOM 0 HD3 LYS A 73 10.228 -7.609 5.661 1.00 0.55 H new ATOM 0 HE2 LYS A 73 13.116 -8.487 6.121 1.00 0.60 H new ATOM 0 HE3 LYS A 73 12.013 -8.057 7.413 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 11.902 -10.359 7.241 1.00 1.87 H new ATOM 0 HZ2 LYS A 73 10.495 -9.823 6.456 1.00 1.87 H new ATOM 0 HZ3 LYS A 73 11.831 -10.340 5.544 1.00 1.87 H new ATOM 1220 N ILE A 74 10.000 -3.909 2.749 1.00 0.23 N ATOM 1221 CA ILE A 74 9.881 -2.667 2.011 1.00 0.24 C ATOM 1222 C ILE A 74 11.215 -1.933 2.072 1.00 0.24 C ATOM 1223 O ILE A 74 11.872 -1.967 3.106 1.00 0.40 O ATOM 1224 CB ILE A 74 8.741 -1.822 2.599 1.00 0.29 C ATOM 1225 CG1 ILE A 74 8.951 -1.351 4.049 1.00 0.31 C ATOM 1226 CG2 ILE A 74 7.451 -2.641 2.557 1.00 0.38 C ATOM 1227 CD1 ILE A 74 9.809 -0.087 4.176 1.00 0.32 C ATOM 0 H ILE A 74 10.460 -3.801 3.653 1.00 0.23 H new ATOM 0 HA ILE A 74 9.640 -2.863 0.966 1.00 0.24 H new ATOM 0 HB ILE A 74 8.701 -0.922 1.985 1.00 0.29 H new ATOM 0 HG12 ILE A 74 7.978 -1.165 4.504 1.00 0.31 H new ATOM 0 HG13 ILE A 74 9.420 -2.155 4.617 1.00 0.31 H new ATOM 0 HG21 ILE A 74 6.633 -2.052 2.972 1.00 0.38 H new ATOM 0 HG22 ILE A 74 7.221 -2.905 1.525 1.00 0.38 H new ATOM 0 HG23 ILE A 74 7.578 -3.550 3.144 1.00 0.38 H new ATOM 0 HD11 ILE A 74 9.910 0.180 5.228 1.00 0.32 H new ATOM 0 HD12 ILE A 74 10.796 -0.273 3.752 1.00 0.32 H new ATOM 0 HD13 ILE A 74 9.332 0.732 3.638 1.00 0.32 H new ATOM 1239 N TYR A 75 11.607 -1.249 0.992 1.00 0.25 N ATOM 1240 CA TYR A 75 12.723 -0.305 1.031 1.00 0.25 C ATOM 1241 C TYR A 75 12.228 1.141 1.010 1.00 0.45 C ATOM 1242 O TYR A 75 13.007 2.063 1.215 1.00 1.08 O ATOM 1243 CB TYR A 75 13.697 -0.548 -0.140 1.00 0.31 C ATOM 1244 CG TYR A 75 15.008 -1.168 0.289 1.00 0.72 C ATOM 1245 CD1 TYR A 75 15.472 -2.338 -0.331 1.00 2.23 C ATOM 1246 CD2 TYR A 75 15.767 -0.570 1.311 1.00 1.76 C ATOM 1247 CE1 TYR A 75 16.647 -2.964 0.122 1.00 2.78 C ATOM 1248 CE2 TYR A 75 16.959 -1.170 1.751 1.00 2.11 C ATOM 1249 CZ TYR A 75 17.398 -2.379 1.167 1.00 2.15 C ATOM 1250 OH TYR A 75 18.563 -2.943 1.589 1.00 2.83 O ATOM 0 H TYR A 75 11.164 -1.334 0.077 1.00 0.25 H new ATOM 0 HA TYR A 75 13.256 -0.472 1.967 1.00 0.25 H new ATOM 0 HB2 TYR A 75 13.218 -1.198 -0.872 1.00 0.31 H new ATOM 0 HB3 TYR A 75 13.898 0.400 -0.639 1.00 0.31 H new ATOM 0 HD1 TYR A 75 14.924 -2.760 -1.160 1.00 2.23 H new ATOM 0 HD2 TYR A 75 15.432 0.354 1.759 1.00 1.76 H new ATOM 0 HE1 TYR A 75 16.975 -3.890 -0.328 1.00 2.78 H new ATOM 0 HE2 TYR A 75 17.539 -0.707 2.535 1.00 2.11 H new ATOM 0 HH TYR A 75 18.943 -2.404 2.314 1.00 2.83 H new ATOM 1260 N HIS A 76 10.946 1.362 0.716 1.00 0.29 N ATOM 1261 CA HIS A 76 10.445 2.696 0.429 1.00 0.24 C ATOM 1262 C HIS A 76 10.296 3.457 1.739 1.00 0.22 C ATOM 1263 O HIS A 76 9.656 2.943 2.649 1.00 0.23 O ATOM 1264 CB HIS A 76 9.087 2.608 -0.276 1.00 0.27 C ATOM 1265 CG HIS A 76 9.066 1.688 -1.470 1.00 0.54 C ATOM 1266 ND1 HIS A 76 9.311 2.047 -2.767 1.00 0.81 N flip ATOM 1267 CD2 HIS A 76 8.791 0.332 -1.436 1.00 1.18 C flip ATOM 1268 CE1 HIS A 76 9.225 0.891 -3.516 1.00 1.19 C flip ATOM 1269 NE2 HIS A 76 8.924 -0.134 -2.690 1.00 1.47 N flip ATOM 0 H HIS A 76 10.238 0.629 0.672 1.00 0.29 H new ATOM 0 HA HIS A 76 11.145 3.216 -0.225 1.00 0.24 H new ATOM 0 HB2 HIS A 76 8.340 2.270 0.442 1.00 0.27 H new ATOM 0 HB3 HIS A 76 8.792 3.607 -0.597 1.00 0.27 H new ATOM 0 HD2 HIS A 76 8.520 -0.245 -0.564 1.00 1.18 H new ATOM 0 HE1 HIS A 76 9.373 0.818 -4.583 1.00 1.19 H new ATOM 0 HE2 HIS A 76 8.815 -1.108 -2.973 1.00 1.47 H new ATOM 1278 N PRO A 77 10.775 4.705 1.811 1.00 0.26 N ATOM 1279 CA PRO A 77 10.758 5.496 3.032 1.00 0.26 C ATOM 1280 C PRO A 77 9.343 5.790 3.512 1.00 0.25 C ATOM 1281 O PRO A 77 9.135 6.152 4.664 1.00 0.24 O ATOM 1282 CB PRO A 77 11.470 6.794 2.662 1.00 0.29 C ATOM 1283 CG PRO A 77 11.219 6.933 1.163 1.00 0.31 C ATOM 1284 CD PRO A 77 11.292 5.482 0.699 1.00 0.31 C ATOM 0 HA PRO A 77 11.240 4.962 3.851 1.00 0.26 H new ATOM 0 HB2 PRO A 77 11.068 7.643 3.215 1.00 0.29 H new ATOM 0 HB3 PRO A 77 12.536 6.744 2.886 1.00 0.29 H new ATOM 0 HG2 PRO A 77 10.249 7.382 0.951 1.00 0.31 H new ATOM 0 HG3 PRO A 77 11.971 7.556 0.678 1.00 0.31 H new ATOM 0 HD2 PRO A 77 10.698 5.325 -0.202 1.00 0.31 H new ATOM 0 HD3 PRO A 77 12.316 5.195 0.460 1.00 0.31 H new ATOM 1292 N ASN A 78 8.363 5.704 2.613 1.00 0.26 N ATOM 1293 CA ASN A 78 6.985 6.052 2.913 1.00 0.25 C ATOM 1294 C ASN A 78 6.359 5.052 3.888 1.00 0.20 C ATOM 1295 O ASN A 78 5.327 5.344 4.489 1.00 0.30 O ATOM 1296 CB ASN A 78 6.155 6.087 1.628 1.00 0.34 C ATOM 1297 CG ASN A 78 6.922 6.620 0.425 1.00 1.06 C ATOM 1298 OD1 ASN A 78 7.266 7.793 0.341 1.00 1.16 O ATOM 1299 ND2 ASN A 78 7.196 5.734 -0.523 1.00 2.70 N ATOM 0 H ASN A 78 8.509 5.389 1.654 1.00 0.26 H new ATOM 0 HA ASN A 78 6.988 7.038 3.377 1.00 0.25 H new ATOM 0 HB2 ASN A 78 5.800 5.080 1.406 1.00 0.34 H new ATOM 0 HB3 ASN A 78 5.273 6.707 1.791 1.00 0.34 H new ATOM 0 HD21 ASN A 78 7.709 6.021 -1.356 1.00 2.70 H new ATOM 0 HD22 ASN A 78 6.894 4.765 -0.419 1.00 2.70 H new ATOM 1306 N ILE A 79 6.952 3.860 4.000 1.00 0.15 N ATOM 1307 CA ILE A 79 6.531 2.780 4.868 1.00 0.14 C ATOM 1308 C ILE A 79 7.704 2.533 5.830 1.00 0.15 C ATOM 1309 O ILE A 79 8.817 3.003 5.602 1.00 0.19 O ATOM 1310 CB ILE A 79 6.149 1.574 3.978 1.00 0.15 C ATOM 1311 CG1 ILE A 79 5.117 1.995 2.910 1.00 0.20 C ATOM 1312 CG2 ILE A 79 5.564 0.377 4.744 1.00 0.18 C ATOM 1313 CD1 ILE A 79 5.663 1.913 1.481 1.00 0.36 C ATOM 0 H ILE A 79 7.780 3.620 3.456 1.00 0.15 H new ATOM 0 HA ILE A 79 5.647 2.993 5.469 1.00 0.14 H new ATOM 0 HB ILE A 79 7.090 1.253 3.530 1.00 0.15 H new ATOM 0 HG12 ILE A 79 4.237 1.358 2.993 1.00 0.20 H new ATOM 0 HG13 ILE A 79 4.792 3.016 3.110 1.00 0.20 H new ATOM 0 HG21 ILE A 79 5.325 -0.422 4.042 1.00 0.18 H new ATOM 0 HG22 ILE A 79 6.294 0.017 5.469 1.00 0.18 H new ATOM 0 HG23 ILE A 79 4.658 0.686 5.265 1.00 0.18 H new ATOM 0 HD11 ILE A 79 4.890 2.222 0.778 1.00 0.36 H new ATOM 0 HD12 ILE A 79 6.526 2.571 1.383 1.00 0.36 H new ATOM 0 HD13 ILE A 79 5.962 0.888 1.264 1.00 0.36 H new ATOM 1325 N ASP A 80 7.454 1.832 6.928 1.00 0.18 N ATOM 1326 CA ASP A 80 8.421 1.460 7.944 1.00 0.21 C ATOM 1327 C ASP A 80 8.888 0.042 7.648 1.00 0.20 C ATOM 1328 O ASP A 80 8.202 -0.712 6.960 1.00 0.20 O ATOM 1329 CB ASP A 80 7.690 1.483 9.284 1.00 0.30 C ATOM 1330 CG ASP A 80 8.497 0.960 10.463 1.00 0.45 C ATOM 1331 OD1 ASP A 80 7.863 0.302 11.319 1.00 2.30 O ATOM 1332 OD2 ASP A 80 9.727 1.172 10.472 1.00 1.69 O ATOM 0 H ASP A 80 6.517 1.490 7.142 1.00 0.18 H new ATOM 0 HA ASP A 80 9.277 2.134 7.961 1.00 0.21 H new ATOM 0 HB2 ASP A 80 7.385 2.507 9.497 1.00 0.30 H new ATOM 0 HB3 ASP A 80 6.779 0.891 9.195 1.00 0.30 H new ATOM 1337 N GLU A 81 10.021 -0.362 8.205 1.00 0.21 N ATOM 1338 CA GLU A 81 10.539 -1.710 8.039 1.00 0.24 C ATOM 1339 C GLU A 81 9.548 -2.762 8.530 1.00 0.22 C ATOM 1340 O GLU A 81 9.436 -3.830 7.931 1.00 0.26 O ATOM 1341 CB GLU A 81 11.875 -1.841 8.764 1.00 0.30 C ATOM 1342 CG GLU A 81 12.954 -1.122 7.952 1.00 0.83 C ATOM 1343 CD GLU A 81 14.272 -1.095 8.713 1.00 1.96 C ATOM 1344 OE1 GLU A 81 14.565 -0.021 9.285 1.00 3.14 O ATOM 1345 OE2 GLU A 81 14.961 -2.137 8.723 1.00 2.52 O ATOM 0 H GLU A 81 10.607 0.238 8.786 1.00 0.21 H new ATOM 0 HA GLU A 81 10.691 -1.888 6.974 1.00 0.24 H new ATOM 0 HB2 GLU A 81 11.805 -1.410 9.763 1.00 0.30 H new ATOM 0 HB3 GLU A 81 12.135 -2.892 8.888 1.00 0.30 H new ATOM 0 HG2 GLU A 81 13.091 -1.625 6.995 1.00 0.83 H new ATOM 0 HG3 GLU A 81 12.634 -0.103 7.734 1.00 0.83 H new ATOM 1352 N LYS A 82 8.776 -2.469 9.582 1.00 0.20 N ATOM 1353 CA LYS A 82 7.717 -3.370 10.033 1.00 0.22 C ATOM 1354 C LYS A 82 6.447 -3.186 9.198 1.00 0.23 C ATOM 1355 O LYS A 82 5.347 -3.422 9.688 1.00 0.31 O ATOM 1356 CB LYS A 82 7.479 -3.119 11.530 1.00 0.27 C ATOM 1357 CG LYS A 82 8.535 -3.856 12.359 1.00 0.86 C ATOM 1358 CD LYS A 82 9.021 -3.008 13.534 1.00 1.14 C ATOM 1359 CE LYS A 82 10.027 -3.841 14.331 1.00 1.83 C ATOM 1360 NZ LYS A 82 10.715 -3.040 15.366 1.00 2.68 N ATOM 0 H LYS A 82 8.867 -1.616 10.134 1.00 0.20 H new ATOM 0 HA LYS A 82 8.017 -4.409 9.894 1.00 0.22 H new ATOM 0 HB2 LYS A 82 7.521 -2.050 11.739 1.00 0.27 H new ATOM 0 HB3 LYS A 82 6.482 -3.459 11.810 1.00 0.27 H new ATOM 0 HG2 LYS A 82 8.118 -4.791 12.733 1.00 0.86 H new ATOM 0 HG3 LYS A 82 9.381 -4.116 11.723 1.00 0.86 H new ATOM 0 HD2 LYS A 82 9.486 -2.090 13.175 1.00 1.14 H new ATOM 0 HD3 LYS A 82 8.182 -2.715 14.166 1.00 1.14 H new ATOM 0 HE2 LYS A 82 9.511 -4.677 14.803 1.00 1.83 H new ATOM 0 HE3 LYS A 82 10.766 -4.265 13.651 1.00 1.83 H new ATOM 0 HZ1 LYS A 82 11.387 -3.643 15.882 1.00 2.68 H new ATOM 0 HZ2 LYS A 82 11.229 -2.257 14.914 1.00 2.68 H new ATOM 0 HZ3 LYS A 82 10.014 -2.656 16.031 1.00 2.68 H new ATOM 1374 N GLY A 83 6.562 -2.743 7.945 1.00 0.19 N ATOM 1375 CA GLY A 83 5.445 -2.575 7.039 1.00 0.20 C ATOM 1376 C GLY A 83 4.491 -1.449 7.427 1.00 0.19 C ATOM 1377 O GLY A 83 3.547 -1.207 6.679 1.00 0.19 O ATOM 0 H GLY A 83 7.458 -2.488 7.531 1.00 0.19 H new ATOM 0 HA2 GLY A 83 5.829 -2.382 6.037 1.00 0.20 H new ATOM 0 HA3 GLY A 83 4.886 -3.510 6.991 1.00 0.20 H new ATOM 1381 N GLN A 84 4.677 -0.781 8.569 1.00 0.20 N ATOM 1382 CA GLN A 84 3.742 0.230 9.042 1.00 0.21 C ATOM 1383 C GLN A 84 3.710 1.414 8.087 1.00 0.19 C ATOM 1384 O GLN A 84 4.676 1.688 7.388 1.00 0.22 O ATOM 1385 CB GLN A 84 4.142 0.728 10.432 1.00 0.23 C ATOM 1386 CG GLN A 84 4.033 -0.358 11.500 1.00 0.38 C ATOM 1387 CD GLN A 84 4.312 0.239 12.872 1.00 0.77 C ATOM 1388 OE1 GLN A 84 3.398 0.401 13.675 1.00 1.04 O ATOM 1389 NE2 GLN A 84 5.558 0.603 13.149 1.00 1.36 N ATOM 0 H GLN A 84 5.477 -0.928 9.185 1.00 0.20 H new ATOM 0 HA GLN A 84 2.754 -0.228 9.091 1.00 0.21 H new ATOM 0 HB2 GLN A 84 5.166 1.099 10.400 1.00 0.23 H new ATOM 0 HB3 GLN A 84 3.507 1.569 10.709 1.00 0.23 H new ATOM 0 HG2 GLN A 84 3.037 -0.801 11.481 1.00 0.38 H new ATOM 0 HG3 GLN A 84 4.742 -1.159 11.291 1.00 0.38 H new ATOM 0 HE21 GLN A 84 6.297 0.456 12.462 1.00 1.36 H new ATOM 0 HE22 GLN A 84 5.776 1.030 14.049 1.00 1.36 H new ATOM 1398 N VAL A 85 2.613 2.158 8.085 1.00 0.23 N ATOM 1399 CA VAL A 85 2.429 3.262 7.157 1.00 0.20 C ATOM 1400 C VAL A 85 2.084 4.536 7.923 1.00 0.21 C ATOM 1401 O VAL A 85 1.465 4.467 8.983 1.00 0.24 O ATOM 1402 CB VAL A 85 1.322 2.879 6.174 1.00 0.25 C ATOM 1403 CG1 VAL A 85 1.736 1.658 5.347 1.00 0.25 C ATOM 1404 CG2 VAL A 85 0.007 2.604 6.911 1.00 0.33 C ATOM 0 H VAL A 85 1.830 2.014 8.723 1.00 0.23 H new ATOM 0 HA VAL A 85 3.347 3.457 6.603 1.00 0.20 H new ATOM 0 HB VAL A 85 1.165 3.720 5.498 1.00 0.25 H new ATOM 0 HG11 VAL A 85 0.936 1.400 4.653 1.00 0.25 H new ATOM 0 HG12 VAL A 85 2.642 1.888 4.787 1.00 0.25 H new ATOM 0 HG13 VAL A 85 1.925 0.815 6.012 1.00 0.25 H new ATOM 0 HG21 VAL A 85 -0.765 2.334 6.190 1.00 0.33 H new ATOM 0 HG22 VAL A 85 0.149 1.784 7.615 1.00 0.33 H new ATOM 0 HG23 VAL A 85 -0.300 3.498 7.453 1.00 0.33 H new ATOM 1414 N CYS A 86 2.458 5.702 7.388 1.00 0.20 N ATOM 1415 CA CYS A 86 2.012 6.978 7.925 1.00 0.22 C ATOM 1416 C CYS A 86 1.769 7.946 6.768 1.00 0.23 C ATOM 1417 O CYS A 86 2.607 8.802 6.501 1.00 0.34 O ATOM 1418 CB CYS A 86 3.055 7.516 8.911 1.00 0.25 C ATOM 1419 SG CYS A 86 2.358 8.894 9.859 1.00 0.44 S ATOM 0 H CYS A 86 3.073 5.782 6.578 1.00 0.20 H new ATOM 0 HA CYS A 86 1.076 6.857 8.471 1.00 0.22 H new ATOM 0 HB2 CYS A 86 3.372 6.722 9.587 1.00 0.25 H new ATOM 0 HB3 CYS A 86 3.942 7.847 8.371 1.00 0.25 H new ATOM 0 HG CYS A 86 3.249 9.341 10.693 1.00 0.44 H new ATOM 1425 N LEU A 87 0.641 7.812 6.064 1.00 0.17 N ATOM 1426 CA LEU A 87 0.307 8.680 4.940 1.00 0.16 C ATOM 1427 C LEU A 87 -0.896 9.539 5.321 1.00 0.16 C ATOM 1428 O LEU A 87 -1.763 9.082 6.068 1.00 0.16 O ATOM 1429 CB LEU A 87 -0.039 7.857 3.687 1.00 0.16 C ATOM 1430 CG LEU A 87 1.071 6.984 3.090 1.00 0.17 C ATOM 1431 CD1 LEU A 87 2.413 7.710 3.012 1.00 0.20 C ATOM 1432 CD2 LEU A 87 1.249 5.668 3.836 1.00 0.17 C ATOM 0 H LEU A 87 -0.062 7.099 6.260 1.00 0.17 H new ATOM 0 HA LEU A 87 1.171 9.305 4.713 1.00 0.16 H new ATOM 0 HB2 LEU A 87 -0.882 7.211 3.930 1.00 0.16 H new ATOM 0 HB3 LEU A 87 -0.378 8.546 2.914 1.00 0.16 H new ATOM 0 HG LEU A 87 0.739 6.763 2.076 1.00 0.17 H new ATOM 0 HD11 LEU A 87 3.162 7.045 2.582 1.00 0.20 H new ATOM 0 HD12 LEU A 87 2.311 8.596 2.385 1.00 0.20 H new ATOM 0 HD13 LEU A 87 2.724 8.008 4.013 1.00 0.20 H new ATOM 0 HD21 LEU A 87 2.048 5.091 3.370 1.00 0.17 H new ATOM 0 HD22 LEU A 87 1.507 5.871 4.875 1.00 0.17 H new ATOM 0 HD23 LEU A 87 0.320 5.099 3.797 1.00 0.17 H new ATOM 1444 N PRO A 88 -1.026 10.746 4.752 1.00 0.18 N ATOM 1445 CA PRO A 88 -2.111 11.668 5.064 1.00 0.20 C ATOM 1446 C PRO A 88 -3.487 11.170 4.610 1.00 0.35 C ATOM 1447 O PRO A 88 -4.501 11.779 4.932 1.00 0.77 O ATOM 1448 CB PRO A 88 -1.729 12.986 4.389 1.00 0.26 C ATOM 1449 CG PRO A 88 -0.847 12.547 3.223 1.00 0.24 C ATOM 1450 CD PRO A 88 -0.100 11.351 3.810 1.00 0.20 C ATOM 0 HA PRO A 88 -2.220 11.777 6.143 1.00 0.20 H new ATOM 0 HB2 PRO A 88 -2.608 13.530 4.044 1.00 0.26 H new ATOM 0 HB3 PRO A 88 -1.193 13.646 5.071 1.00 0.26 H new ATOM 0 HG2 PRO A 88 -1.437 12.269 2.350 1.00 0.24 H new ATOM 0 HG3 PRO A 88 -0.165 13.338 2.909 1.00 0.24 H new ATOM 0 HD2 PRO A 88 0.186 10.645 3.031 1.00 0.20 H new ATOM 0 HD3 PRO A 88 0.818 11.666 4.307 1.00 0.20 H new ATOM 1458 N VAL A 89 -3.566 10.052 3.887 1.00 0.20 N ATOM 1459 CA VAL A 89 -4.853 9.457 3.545 1.00 0.18 C ATOM 1460 C VAL A 89 -5.511 8.815 4.766 1.00 0.18 C ATOM 1461 O VAL A 89 -6.735 8.702 4.819 1.00 0.22 O ATOM 1462 CB VAL A 89 -4.703 8.461 2.385 1.00 0.16 C ATOM 1463 CG1 VAL A 89 -4.431 9.249 1.099 1.00 0.20 C ATOM 1464 CG2 VAL A 89 -3.568 7.453 2.606 1.00 0.16 C ATOM 0 H VAL A 89 -2.757 9.544 3.530 1.00 0.20 H new ATOM 0 HA VAL A 89 -5.516 10.254 3.209 1.00 0.18 H new ATOM 0 HB VAL A 89 -5.629 7.890 2.317 1.00 0.16 H new ATOM 0 HG11 VAL A 89 -4.322 8.557 0.264 1.00 0.20 H new ATOM 0 HG12 VAL A 89 -5.264 9.925 0.903 1.00 0.20 H new ATOM 0 HG13 VAL A 89 -3.514 9.827 1.213 1.00 0.20 H new ATOM 0 HG21 VAL A 89 -3.511 6.776 1.753 1.00 0.16 H new ATOM 0 HG22 VAL A 89 -2.623 7.986 2.709 1.00 0.16 H new ATOM 0 HG23 VAL A 89 -3.762 6.879 3.512 1.00 0.16 H new ATOM 1474 N ILE A 90 -4.703 8.381 5.736 1.00 0.17 N ATOM 1475 CA ILE A 90 -5.154 7.704 6.943 1.00 0.19 C ATOM 1476 C ILE A 90 -4.537 8.332 8.193 1.00 0.21 C ATOM 1477 O ILE A 90 -4.576 7.746 9.271 1.00 0.29 O ATOM 1478 CB ILE A 90 -4.835 6.206 6.830 1.00 0.17 C ATOM 1479 CG1 ILE A 90 -3.322 5.982 6.653 1.00 0.17 C ATOM 1480 CG2 ILE A 90 -5.633 5.622 5.654 1.00 0.16 C ATOM 1481 CD1 ILE A 90 -2.977 4.504 6.518 1.00 0.20 C ATOM 0 H ILE A 90 -3.690 8.496 5.698 1.00 0.17 H new ATOM 0 HA ILE A 90 -6.233 7.821 7.043 1.00 0.19 H new ATOM 0 HB ILE A 90 -5.126 5.694 7.748 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -2.977 6.517 5.768 1.00 0.17 H new ATOM 0 HG13 ILE A 90 -2.791 6.402 7.507 1.00 0.17 H new ATOM 0 HG21 ILE A 90 -5.417 4.558 5.561 1.00 0.16 H new ATOM 0 HG22 ILE A 90 -6.699 5.762 5.833 1.00 0.16 H new ATOM 0 HG23 ILE A 90 -5.350 6.132 4.733 1.00 0.16 H new ATOM 0 HD11 ILE A 90 -1.900 4.392 6.395 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -3.297 3.972 7.414 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -3.487 4.089 5.648 1.00 0.20 H new ATOM 1493 N SER A 91 -3.952 9.522 8.068 1.00 0.20 N ATOM 1494 CA SER A 91 -3.403 10.204 9.227 1.00 0.23 C ATOM 1495 C SER A 91 -4.553 10.652 10.127 1.00 0.28 C ATOM 1496 O SER A 91 -5.632 10.971 9.632 1.00 0.36 O ATOM 1497 CB SER A 91 -2.571 11.385 8.738 1.00 0.29 C ATOM 1498 OG SER A 91 -2.091 12.146 9.825 1.00 0.52 O ATOM 0 H SER A 91 -3.849 10.024 7.186 1.00 0.20 H new ATOM 0 HA SER A 91 -2.759 9.546 9.810 1.00 0.23 H new ATOM 0 HB2 SER A 91 -1.732 11.023 8.144 1.00 0.29 H new ATOM 0 HB3 SER A 91 -3.175 12.016 8.086 1.00 0.29 H new ATOM 0 HG SER A 91 -1.559 12.897 9.489 1.00 0.52 H new ATOM 1504 N ALA A 92 -4.332 10.710 11.443 1.00 0.33 N ATOM 1505 CA ALA A 92 -5.347 11.139 12.398 1.00 0.39 C ATOM 1506 C ALA A 92 -5.830 12.554 12.079 1.00 0.43 C ATOM 1507 O ALA A 92 -7.028 12.782 11.943 1.00 0.47 O ATOM 1508 CB ALA A 92 -4.799 11.048 13.825 1.00 0.48 C ATOM 0 H ALA A 92 -3.442 10.460 11.873 1.00 0.33 H new ATOM 0 HA ALA A 92 -6.206 10.473 12.318 1.00 0.39 H new ATOM 0 HB1 ALA A 92 -5.565 11.371 14.530 1.00 0.48 H new ATOM 0 HB2 ALA A 92 -4.517 10.018 14.042 1.00 0.48 H new ATOM 0 HB3 ALA A 92 -3.924 11.691 13.920 1.00 0.48 H new ATOM 1514 N GLU A 93 -4.910 13.506 11.909 1.00 0.49 N ATOM 1515 CA GLU A 93 -5.275 14.884 11.581 1.00 0.59 C ATOM 1516 C GLU A 93 -5.863 15.009 10.174 1.00 0.52 C ATOM 1517 O GLU A 93 -6.284 16.088 9.760 1.00 0.75 O ATOM 1518 CB GLU A 93 -4.055 15.802 11.714 1.00 0.74 C ATOM 1519 CG GLU A 93 -3.606 15.903 13.174 1.00 1.16 C ATOM 1520 CD GLU A 93 -2.600 17.040 13.355 1.00 1.45 C ATOM 1521 OE1 GLU A 93 -3.041 18.208 13.273 1.00 2.61 O ATOM 1522 OE2 GLU A 93 -1.408 16.725 13.562 1.00 2.15 O ATOM 0 H GLU A 93 -3.906 13.347 11.993 1.00 0.49 H new ATOM 0 HA GLU A 93 -6.045 15.188 12.290 1.00 0.59 H new ATOM 0 HB2 GLU A 93 -3.238 15.418 11.103 1.00 0.74 H new ATOM 0 HB3 GLU A 93 -4.298 16.794 11.334 1.00 0.74 H new ATOM 0 HG2 GLU A 93 -4.472 16.072 13.815 1.00 1.16 H new ATOM 0 HG3 GLU A 93 -3.157 14.961 13.487 1.00 1.16 H new ATOM 1529 N ASN A 94 -5.875 13.930 9.393 1.00 0.45 N ATOM 1530 CA ASN A 94 -6.437 13.936 8.054 1.00 0.42 C ATOM 1531 C ASN A 94 -7.529 12.876 7.926 1.00 0.43 C ATOM 1532 O ASN A 94 -7.937 12.567 6.805 1.00 0.53 O ATOM 1533 CB ASN A 94 -5.323 13.700 7.032 1.00 0.51 C ATOM 1534 CG ASN A 94 -4.103 14.605 7.187 1.00 1.20 C ATOM 1535 OD1 ASN A 94 -2.984 14.187 6.919 1.00 2.93 O ATOM 1536 ND2 ASN A 94 -4.271 15.849 7.621 1.00 0.77 N ATOM 0 H ASN A 94 -5.493 13.028 9.677 1.00 0.45 H new ATOM 0 HA ASN A 94 -6.893 14.907 7.860 1.00 0.42 H new ATOM 0 HB2 ASN A 94 -4.998 12.662 7.104 1.00 0.51 H new ATOM 0 HB3 ASN A 94 -5.733 13.837 6.032 1.00 0.51 H new ATOM 0 HD21 ASN A 94 -3.465 16.463 7.733 1.00 0.77 H new ATOM 0 HD22 ASN A 94 -5.207 16.190 7.842 1.00 0.77 H new ATOM 1543 N TRP A 95 -8.014 12.339 9.048 1.00 0.41 N ATOM 1544 CA TRP A 95 -9.012 11.287 9.089 1.00 0.39 C ATOM 1545 C TRP A 95 -10.269 11.771 8.379 1.00 0.44 C ATOM 1546 O TRP A 95 -10.941 12.696 8.829 1.00 0.55 O ATOM 1547 CB TRP A 95 -9.294 10.917 10.549 1.00 0.41 C ATOM 1548 CG TRP A 95 -10.605 10.242 10.833 1.00 0.40 C ATOM 1549 CD1 TRP A 95 -11.138 9.178 10.186 1.00 0.34 C ATOM 1550 CD2 TRP A 95 -11.593 10.643 11.825 1.00 0.49 C ATOM 1551 NE1 TRP A 95 -12.394 8.909 10.696 1.00 0.38 N ATOM 1552 CE2 TRP A 95 -12.742 9.813 11.683 1.00 0.47 C ATOM 1553 CE3 TRP A 95 -11.637 11.645 12.818 1.00 0.61 C ATOM 1554 CZ2 TRP A 95 -13.892 10.007 12.463 1.00 0.56 C ATOM 1555 CZ3 TRP A 95 -12.774 11.823 13.627 1.00 0.70 C ATOM 1556 CH2 TRP A 95 -13.904 11.009 13.444 1.00 0.67 C ATOM 0 H TRP A 95 -7.710 12.638 9.975 1.00 0.41 H new ATOM 0 HA TRP A 95 -8.653 10.393 8.578 1.00 0.39 H new ATOM 0 HB2 TRP A 95 -8.493 10.264 10.895 1.00 0.41 H new ATOM 0 HB3 TRP A 95 -9.244 11.827 11.146 1.00 0.41 H new ATOM 0 HD1 TRP A 95 -10.656 8.625 9.394 1.00 0.34 H new ATOM 0 HE1 TRP A 95 -12.989 8.141 10.384 1.00 0.38 H new ATOM 0 HE3 TRP A 95 -10.781 12.288 12.960 1.00 0.61 H new ATOM 0 HZ2 TRP A 95 -14.763 9.388 12.309 1.00 0.56 H new ATOM 0 HZ3 TRP A 95 -12.778 12.587 14.390 1.00 0.70 H new ATOM 0 HH2 TRP A 95 -14.781 11.155 14.058 1.00 0.67 H new ATOM 1567 N LYS A 96 -10.580 11.149 7.243 1.00 0.46 N ATOM 1568 CA LYS A 96 -11.748 11.472 6.449 1.00 0.55 C ATOM 1569 C LYS A 96 -12.593 10.211 6.416 1.00 0.49 C ATOM 1570 O LYS A 96 -12.177 9.239 5.795 1.00 0.49 O ATOM 1571 CB LYS A 96 -11.316 11.903 5.034 1.00 0.69 C ATOM 1572 CG LYS A 96 -11.446 13.415 4.811 1.00 0.84 C ATOM 1573 CD LYS A 96 -10.693 14.248 5.856 1.00 1.02 C ATOM 1574 CE LYS A 96 -9.669 15.199 5.235 1.00 1.58 C ATOM 1575 NZ LYS A 96 -8.541 14.453 4.632 1.00 2.92 N ATOM 0 H LYS A 96 -10.015 10.397 6.849 1.00 0.46 H new ATOM 0 HA LYS A 96 -12.316 12.302 6.869 1.00 0.55 H new ATOM 0 HB2 LYS A 96 -10.282 11.603 4.867 1.00 0.69 H new ATOM 0 HB3 LYS A 96 -11.923 11.377 4.297 1.00 0.69 H new ATOM 0 HG2 LYS A 96 -11.069 13.663 3.819 1.00 0.84 H new ATOM 0 HG3 LYS A 96 -12.501 13.689 4.829 1.00 0.84 H new ATOM 0 HD2 LYS A 96 -11.411 14.825 6.439 1.00 1.02 H new ATOM 0 HD3 LYS A 96 -10.185 13.578 6.550 1.00 1.02 H new ATOM 0 HE2 LYS A 96 -10.152 15.811 4.473 1.00 1.58 H new ATOM 0 HE3 LYS A 96 -9.292 15.880 5.998 1.00 1.58 H new ATOM 0 HZ1 LYS A 96 -7.765 15.111 4.418 1.00 2.92 H new ATOM 0 HZ2 LYS A 96 -8.207 13.729 5.300 1.00 2.92 H new ATOM 0 HZ3 LYS A 96 -8.858 13.994 3.754 1.00 2.92 H new ATOM 1589 N PRO A 97 -13.787 10.203 7.018 1.00 0.47 N ATOM 1590 CA PRO A 97 -14.686 9.066 6.921 1.00 0.46 C ATOM 1591 C PRO A 97 -15.241 8.916 5.500 1.00 0.51 C ATOM 1592 O PRO A 97 -15.760 7.864 5.142 1.00 0.67 O ATOM 1593 CB PRO A 97 -15.768 9.329 7.971 1.00 0.46 C ATOM 1594 CG PRO A 97 -15.817 10.852 8.060 1.00 0.50 C ATOM 1595 CD PRO A 97 -14.363 11.262 7.828 1.00 0.49 C ATOM 0 HA PRO A 97 -14.187 8.116 7.114 1.00 0.46 H new ATOM 0 HB2 PRO A 97 -16.729 8.914 7.669 1.00 0.46 H new ATOM 0 HB3 PRO A 97 -15.514 8.879 8.931 1.00 0.46 H new ATOM 0 HG2 PRO A 97 -16.481 11.278 7.308 1.00 0.50 H new ATOM 0 HG3 PRO A 97 -16.180 11.187 9.032 1.00 0.50 H new ATOM 0 HD2 PRO A 97 -14.303 12.223 7.318 1.00 0.49 H new ATOM 0 HD3 PRO A 97 -13.829 11.368 8.773 1.00 0.49 H new ATOM 1603 N ALA A 98 -15.114 9.947 4.663 1.00 0.50 N ATOM 1604 CA ALA A 98 -15.441 9.853 3.250 1.00 0.55 C ATOM 1605 C ALA A 98 -14.371 9.099 2.449 1.00 0.50 C ATOM 1606 O ALA A 98 -14.642 8.689 1.320 1.00 0.56 O ATOM 1607 CB ALA A 98 -15.609 11.268 2.703 1.00 0.64 C ATOM 0 H ALA A 98 -14.781 10.867 4.951 1.00 0.50 H new ATOM 0 HA ALA A 98 -16.365 9.284 3.146 1.00 0.55 H new ATOM 0 HB1 ALA A 98 -15.855 11.221 1.642 1.00 0.64 H new ATOM 0 HB2 ALA A 98 -16.412 11.773 3.240 1.00 0.64 H new ATOM 0 HB3 ALA A 98 -14.680 11.822 2.836 1.00 0.64 H new ATOM 1613 N THR A 99 -13.158 8.947 2.992 1.00 0.46 N ATOM 1614 CA THR A 99 -12.084 8.210 2.342 1.00 0.42 C ATOM 1615 C THR A 99 -12.432 6.727 2.364 1.00 0.41 C ATOM 1616 O THR A 99 -13.098 6.268 3.291 1.00 0.55 O ATOM 1617 CB THR A 99 -10.742 8.491 3.049 1.00 0.39 C ATOM 1618 OG1 THR A 99 -9.746 8.645 2.073 1.00 0.40 O ATOM 1619 CG2 THR A 99 -10.265 7.394 4.007 1.00 0.46 C ATOM 0 H THR A 99 -12.899 9.336 3.899 1.00 0.46 H new ATOM 0 HA THR A 99 -11.976 8.531 1.306 1.00 0.42 H new ATOM 0 HB THR A 99 -10.914 9.385 3.649 1.00 0.39 H new ATOM 0 HG1 THR A 99 -8.887 8.826 2.508 1.00 0.40 H new ATOM 0 HG21 THR A 99 -9.314 7.688 4.452 1.00 0.46 H new ATOM 0 HG22 THR A 99 -11.005 7.251 4.794 1.00 0.46 H new ATOM 0 HG23 THR A 99 -10.136 6.462 3.457 1.00 0.46 H new ATOM 1627 N LYS A 100 -11.952 5.954 1.393 1.00 0.43 N ATOM 1628 CA LYS A 100 -12.061 4.507 1.434 1.00 0.40 C ATOM 1629 C LYS A 100 -10.749 3.924 0.932 1.00 0.28 C ATOM 1630 O LYS A 100 -9.762 4.631 0.721 1.00 0.23 O ATOM 1631 CB LYS A 100 -13.269 4.004 0.620 1.00 0.71 C ATOM 1632 CG LYS A 100 -14.604 4.259 1.328 1.00 1.76 C ATOM 1633 CD LYS A 100 -15.166 5.646 1.011 1.00 1.91 C ATOM 1634 CE LYS A 100 -16.639 5.559 0.620 1.00 2.40 C ATOM 1635 NZ LYS A 100 -16.904 6.405 -0.557 1.00 2.63 N ATOM 0 H LYS A 100 -11.481 6.314 0.563 1.00 0.43 H new ATOM 0 HA LYS A 100 -12.239 4.176 2.457 1.00 0.40 H new ATOM 0 HB2 LYS A 100 -13.278 4.497 -0.352 1.00 0.71 H new ATOM 0 HB3 LYS A 100 -13.158 2.936 0.435 1.00 0.71 H new ATOM 0 HG2 LYS A 100 -15.325 3.499 1.027 1.00 1.76 H new ATOM 0 HG3 LYS A 100 -14.468 4.161 2.405 1.00 1.76 H new ATOM 0 HD2 LYS A 100 -15.053 6.296 1.879 1.00 1.91 H new ATOM 0 HD3 LYS A 100 -14.596 6.097 0.199 1.00 1.91 H new ATOM 0 HE2 LYS A 100 -16.904 4.525 0.401 1.00 2.40 H new ATOM 0 HE3 LYS A 100 -17.264 5.878 1.454 1.00 2.40 H new ATOM 0 HZ1 LYS A 100 -17.854 6.820 -0.479 1.00 2.63 H new ATOM 0 HZ2 LYS A 100 -16.197 7.166 -0.604 1.00 2.63 H new ATOM 0 HZ3 LYS A 100 -16.848 5.827 -1.420 1.00 2.63 H new ATOM 1649 N THR A 101 -10.725 2.609 0.771 1.00 0.31 N ATOM 1650 CA THR A 101 -9.620 1.869 0.216 1.00 0.28 C ATOM 1651 C THR A 101 -9.174 2.376 -1.144 1.00 0.20 C ATOM 1652 O THR A 101 -8.037 2.126 -1.511 1.00 0.29 O ATOM 1653 CB THR A 101 -10.044 0.419 0.082 1.00 0.33 C ATOM 1654 OG1 THR A 101 -11.401 0.381 -0.320 1.00 0.51 O ATOM 1655 CG2 THR A 101 -9.920 -0.282 1.428 1.00 0.33 C ATOM 0 H THR A 101 -11.509 2.013 1.036 1.00 0.31 H new ATOM 0 HA THR A 101 -8.772 1.991 0.890 1.00 0.28 H new ATOM 0 HB THR A 101 -9.409 -0.080 -0.650 1.00 0.33 H new ATOM 0 HG1 THR A 101 -11.764 -0.516 -0.162 1.00 0.51 H new ATOM 0 HG21 THR A 101 -10.226 -1.323 1.326 1.00 0.33 H new ATOM 0 HG22 THR A 101 -8.885 -0.240 1.766 1.00 0.33 H new ATOM 0 HG23 THR A 101 -10.561 0.214 2.157 1.00 0.33 H new ATOM 1663 N ASP A 102 -10.023 3.060 -1.905 1.00 0.16 N ATOM 1664 CA ASP A 102 -9.596 3.693 -3.141 1.00 0.22 C ATOM 1665 C ASP A 102 -8.469 4.683 -2.845 1.00 0.19 C ATOM 1666 O ASP A 102 -7.416 4.646 -3.480 1.00 0.31 O ATOM 1667 CB ASP A 102 -10.803 4.357 -3.823 1.00 0.39 C ATOM 1668 CG ASP A 102 -11.312 5.578 -3.048 1.00 1.24 C ATOM 1669 OD1 ASP A 102 -11.506 5.428 -1.818 1.00 2.45 O ATOM 1670 OD2 ASP A 102 -11.401 6.672 -3.650 1.00 1.89 O ATOM 0 H ASP A 102 -11.011 3.188 -1.684 1.00 0.16 H new ATOM 0 HA ASP A 102 -9.201 2.950 -3.834 1.00 0.22 H new ATOM 0 HB2 ASP A 102 -10.525 4.660 -4.832 1.00 0.39 H new ATOM 0 HB3 ASP A 102 -11.609 3.629 -3.919 1.00 0.39 H new ATOM 1675 N GLN A 103 -8.658 5.534 -1.838 1.00 0.18 N ATOM 1676 CA GLN A 103 -7.687 6.543 -1.465 1.00 0.18 C ATOM 1677 C GLN A 103 -6.517 5.908 -0.733 1.00 0.18 C ATOM 1678 O GLN A 103 -5.399 6.404 -0.817 1.00 0.24 O ATOM 1679 CB GLN A 103 -8.342 7.648 -0.632 1.00 0.23 C ATOM 1680 CG GLN A 103 -9.548 8.195 -1.402 1.00 0.27 C ATOM 1681 CD GLN A 103 -10.084 9.525 -0.888 1.00 0.34 C ATOM 1682 OE1 GLN A 103 -9.350 10.398 -0.434 1.00 1.15 O ATOM 1683 NE2 GLN A 103 -11.395 9.710 -0.992 1.00 1.32 N ATOM 0 H GLN A 103 -9.497 5.537 -1.258 1.00 0.18 H new ATOM 0 HA GLN A 103 -7.300 7.006 -2.372 1.00 0.18 H new ATOM 0 HB2 GLN A 103 -8.657 7.256 0.335 1.00 0.23 H new ATOM 0 HB3 GLN A 103 -7.627 8.446 -0.434 1.00 0.23 H new ATOM 0 HG2 GLN A 103 -9.270 8.312 -2.449 1.00 0.27 H new ATOM 0 HG3 GLN A 103 -10.350 7.458 -1.365 1.00 0.27 H new ATOM 0 HE21 GLN A 103 -11.986 8.971 -1.372 1.00 1.32 H new ATOM 0 HE22 GLN A 103 -11.811 10.591 -0.692 1.00 1.32 H new ATOM 1692 N VAL A 104 -6.734 4.804 -0.014 1.00 0.16 N ATOM 1693 CA VAL A 104 -5.617 4.174 0.667 1.00 0.16 C ATOM 1694 C VAL A 104 -4.682 3.559 -0.370 1.00 0.13 C ATOM 1695 O VAL A 104 -3.500 3.889 -0.418 1.00 0.14 O ATOM 1696 CB VAL A 104 -6.138 3.174 1.705 1.00 0.19 C ATOM 1697 CG1 VAL A 104 -4.969 2.458 2.360 1.00 0.19 C ATOM 1698 CG2 VAL A 104 -6.910 3.920 2.794 1.00 0.22 C ATOM 0 H VAL A 104 -7.638 4.347 0.106 1.00 0.16 H new ATOM 0 HA VAL A 104 -5.032 4.907 1.223 1.00 0.16 H new ATOM 0 HB VAL A 104 -6.787 2.456 1.205 1.00 0.19 H new ATOM 0 HG11 VAL A 104 -5.344 1.748 3.097 1.00 0.19 H new ATOM 0 HG12 VAL A 104 -4.397 1.925 1.601 1.00 0.19 H new ATOM 0 HG13 VAL A 104 -4.326 3.187 2.853 1.00 0.19 H new ATOM 0 HG21 VAL A 104 -7.280 3.207 3.531 1.00 0.22 H new ATOM 0 HG22 VAL A 104 -6.250 4.637 3.282 1.00 0.22 H new ATOM 0 HG23 VAL A 104 -7.752 4.448 2.346 1.00 0.22 H new ATOM 1708 N ILE A 105 -5.217 2.683 -1.216 1.00 0.13 N ATOM 1709 CA ILE A 105 -4.484 1.953 -2.235 1.00 0.19 C ATOM 1710 C ILE A 105 -3.775 2.927 -3.153 1.00 0.20 C ATOM 1711 O ILE A 105 -2.567 2.797 -3.349 1.00 0.22 O ATOM 1712 CB ILE A 105 -5.429 0.995 -2.980 1.00 0.23 C ATOM 1713 CG1 ILE A 105 -5.742 -0.201 -2.066 1.00 0.26 C ATOM 1714 CG2 ILE A 105 -4.874 0.484 -4.315 1.00 0.24 C ATOM 1715 CD1 ILE A 105 -4.491 -0.942 -1.561 1.00 0.25 C ATOM 0 H ILE A 105 -6.212 2.457 -1.207 1.00 0.13 H new ATOM 0 HA ILE A 105 -3.714 1.334 -1.775 1.00 0.19 H new ATOM 0 HB ILE A 105 -6.327 1.563 -3.222 1.00 0.23 H new ATOM 0 HG12 ILE A 105 -6.316 0.150 -1.208 1.00 0.26 H new ATOM 0 HG13 ILE A 105 -6.375 -0.904 -2.607 1.00 0.26 H new ATOM 0 HG21 ILE A 105 -5.599 -0.185 -4.778 1.00 0.24 H new ATOM 0 HG22 ILE A 105 -4.685 1.329 -4.978 1.00 0.24 H new ATOM 0 HG23 ILE A 105 -3.943 -0.055 -4.140 1.00 0.24 H new ATOM 0 HD11 ILE A 105 -4.793 -1.772 -0.923 1.00 0.25 H new ATOM 0 HD12 ILE A 105 -3.927 -1.324 -2.411 1.00 0.25 H new ATOM 0 HD13 ILE A 105 -3.866 -0.255 -0.991 1.00 0.25 H new ATOM 1727 N GLN A 106 -4.501 3.905 -3.700 1.00 0.22 N ATOM 1728 CA GLN A 106 -3.872 4.881 -4.576 1.00 0.24 C ATOM 1729 C GLN A 106 -2.721 5.581 -3.859 1.00 0.20 C ATOM 1730 O GLN A 106 -1.745 5.911 -4.516 1.00 0.22 O ATOM 1731 CB GLN A 106 -4.886 5.859 -5.191 1.00 0.33 C ATOM 1732 CG GLN A 106 -5.354 6.969 -4.241 1.00 0.68 C ATOM 1733 CD GLN A 106 -4.445 8.200 -4.235 1.00 1.29 C ATOM 1734 OE1 GLN A 106 -3.738 8.471 -3.272 1.00 2.68 O ATOM 1735 NE2 GLN A 106 -4.453 8.978 -5.309 1.00 2.27 N ATOM 0 H GLN A 106 -5.502 4.037 -3.553 1.00 0.22 H new ATOM 0 HA GLN A 106 -3.445 4.346 -5.424 1.00 0.24 H new ATOM 0 HB2 GLN A 106 -4.440 6.317 -6.074 1.00 0.33 H new ATOM 0 HB3 GLN A 106 -5.756 5.296 -5.529 1.00 0.33 H new ATOM 0 HG2 GLN A 106 -6.362 7.274 -4.522 1.00 0.68 H new ATOM 0 HG3 GLN A 106 -5.413 6.568 -3.229 1.00 0.68 H new ATOM 0 HE21 GLN A 106 -5.046 8.742 -6.105 1.00 2.27 H new ATOM 0 HE22 GLN A 106 -3.866 9.812 -5.339 1.00 2.27 H new ATOM 1744 N SER A 107 -2.794 5.779 -2.539 1.00 0.16 N ATOM 1745 CA SER A 107 -1.706 6.358 -1.777 1.00 0.16 C ATOM 1746 C SER A 107 -0.505 5.427 -1.796 1.00 0.14 C ATOM 1747 O SER A 107 0.581 5.862 -2.162 1.00 0.16 O ATOM 1748 CB SER A 107 -2.123 6.653 -0.336 1.00 0.17 C ATOM 1749 OG SER A 107 -1.387 7.748 0.171 1.00 0.41 O ATOM 0 H SER A 107 -3.612 5.540 -1.978 1.00 0.16 H new ATOM 0 HA SER A 107 -1.436 7.305 -2.244 1.00 0.16 H new ATOM 0 HB2 SER A 107 -3.190 6.873 -0.296 1.00 0.17 H new ATOM 0 HB3 SER A 107 -1.955 5.774 0.286 1.00 0.17 H new ATOM 0 HG SER A 107 -1.141 7.573 1.103 1.00 0.41 H new ATOM 1755 N LEU A 108 -0.654 4.153 -1.413 1.00 0.12 N ATOM 1756 CA LEU A 108 0.519 3.286 -1.383 1.00 0.12 C ATOM 1757 C LEU A 108 1.168 3.249 -2.747 1.00 0.13 C ATOM 1758 O LEU A 108 2.378 3.346 -2.836 1.00 0.15 O ATOM 1759 CB LEU A 108 0.240 1.836 -0.999 1.00 0.12 C ATOM 1760 CG LEU A 108 -0.195 1.585 0.445 1.00 0.15 C ATOM 1761 CD1 LEU A 108 0.496 2.500 1.455 1.00 0.13 C ATOM 1762 CD2 LEU A 108 -1.708 1.677 0.574 1.00 0.31 C ATOM 0 H LEU A 108 -1.533 3.719 -1.133 1.00 0.12 H new ATOM 0 HA LEU A 108 1.157 3.722 -0.614 1.00 0.12 H new ATOM 0 HB2 LEU A 108 -0.536 1.451 -1.661 1.00 0.12 H new ATOM 0 HB3 LEU A 108 1.141 1.253 -1.190 1.00 0.12 H new ATOM 0 HG LEU A 108 0.122 0.571 0.690 1.00 0.15 H new ATOM 0 HD11 LEU A 108 0.141 2.268 2.459 1.00 0.13 H new ATOM 0 HD12 LEU A 108 1.574 2.346 1.407 1.00 0.13 H new ATOM 0 HD13 LEU A 108 0.267 3.540 1.221 1.00 0.13 H new ATOM 0 HD21 LEU A 108 -1.997 1.495 1.609 1.00 0.31 H new ATOM 0 HD22 LEU A 108 -2.039 2.671 0.274 1.00 0.31 H new ATOM 0 HD23 LEU A 108 -2.174 0.930 -0.069 1.00 0.31 H new ATOM 1774 N ILE A 109 0.393 3.089 -3.811 1.00 0.16 N ATOM 1775 CA ILE A 109 0.949 3.058 -5.152 1.00 0.17 C ATOM 1776 C ILE A 109 1.641 4.385 -5.426 1.00 0.19 C ATOM 1777 O ILE A 109 2.766 4.390 -5.903 1.00 0.23 O ATOM 1778 CB ILE A 109 -0.169 2.743 -6.149 1.00 0.18 C ATOM 1779 CG1 ILE A 109 -0.618 1.297 -5.893 1.00 0.18 C ATOM 1780 CG2 ILE A 109 0.267 2.877 -7.616 1.00 0.20 C ATOM 1781 CD1 ILE A 109 -2.085 1.121 -6.256 1.00 0.19 C ATOM 0 H ILE A 109 -0.620 2.979 -3.769 1.00 0.16 H new ATOM 0 HA ILE A 109 1.699 2.274 -5.257 1.00 0.17 H new ATOM 0 HB ILE A 109 -0.972 3.464 -5.997 1.00 0.18 H new ATOM 0 HG12 ILE A 109 -0.007 0.611 -6.480 1.00 0.18 H new ATOM 0 HG13 ILE A 109 -0.464 1.043 -4.844 1.00 0.18 H new ATOM 0 HG21 ILE A 109 -0.573 2.640 -8.268 1.00 0.20 H new ATOM 0 HG22 ILE A 109 0.597 3.899 -7.806 1.00 0.20 H new ATOM 0 HG23 ILE A 109 1.088 2.188 -7.816 1.00 0.20 H new ATOM 0 HD11 ILE A 109 -2.385 0.090 -6.068 1.00 0.19 H new ATOM 0 HD12 ILE A 109 -2.693 1.792 -5.650 1.00 0.19 H new ATOM 0 HD13 ILE A 109 -2.229 1.354 -7.311 1.00 0.19 H new ATOM 1793 N ALA A 110 0.994 5.502 -5.108 1.00 0.18 N ATOM 1794 CA ALA A 110 1.491 6.841 -5.367 1.00 0.19 C ATOM 1795 C ALA A 110 2.849 7.065 -4.711 1.00 0.17 C ATOM 1796 O ALA A 110 3.693 7.724 -5.294 1.00 0.18 O ATOM 1797 CB ALA A 110 0.462 7.876 -4.889 1.00 0.22 C ATOM 0 H ALA A 110 0.083 5.496 -4.650 1.00 0.18 H new ATOM 0 HA ALA A 110 1.633 6.960 -6.441 1.00 0.19 H new ATOM 0 HB1 ALA A 110 0.838 8.880 -5.085 1.00 0.22 H new ATOM 0 HB2 ALA A 110 -0.477 7.729 -5.423 1.00 0.22 H new ATOM 0 HB3 ALA A 110 0.293 7.754 -3.819 1.00 0.22 H new ATOM 1803 N LEU A 111 3.063 6.525 -3.515 1.00 0.14 N ATOM 1804 CA LEU A 111 4.257 6.716 -2.712 1.00 0.14 C ATOM 1805 C LEU A 111 5.351 5.702 -3.063 1.00 0.18 C ATOM 1806 O LEU A 111 6.520 6.042 -3.202 1.00 0.36 O ATOM 1807 CB LEU A 111 3.855 6.588 -1.232 1.00 0.13 C ATOM 1808 CG LEU A 111 3.371 7.876 -0.545 1.00 0.18 C ATOM 1809 CD1 LEU A 111 4.027 9.145 -1.074 1.00 0.41 C ATOM 1810 CD2 LEU A 111 1.856 8.055 -0.612 1.00 0.25 C ATOM 0 H LEU A 111 2.378 5.918 -3.064 1.00 0.14 H new ATOM 0 HA LEU A 111 4.673 7.703 -2.914 1.00 0.14 H new ATOM 0 HB2 LEU A 111 3.065 5.841 -1.155 1.00 0.13 H new ATOM 0 HB3 LEU A 111 4.711 6.205 -0.677 1.00 0.13 H new ATOM 0 HG LEU A 111 3.676 7.736 0.492 1.00 0.18 H new ATOM 0 HD11 LEU A 111 3.632 10.009 -0.539 1.00 0.41 H new ATOM 0 HD12 LEU A 111 5.105 9.087 -0.924 1.00 0.41 H new ATOM 0 HD13 LEU A 111 3.813 9.249 -2.138 1.00 0.41 H new ATOM 0 HD21 LEU A 111 1.577 8.981 -0.110 1.00 0.25 H new ATOM 0 HD22 LEU A 111 1.540 8.098 -1.654 1.00 0.25 H new ATOM 0 HD23 LEU A 111 1.368 7.214 -0.119 1.00 0.25 H new ATOM 1822 N VAL A 112 4.998 4.424 -3.141 1.00 0.24 N ATOM 1823 CA VAL A 112 5.875 3.327 -3.541 1.00 0.22 C ATOM 1824 C VAL A 112 6.465 3.647 -4.920 1.00 0.25 C ATOM 1825 O VAL A 112 7.638 3.370 -5.164 1.00 0.33 O ATOM 1826 CB VAL A 112 5.060 2.014 -3.507 1.00 0.18 C ATOM 1827 CG1 VAL A 112 5.777 0.774 -4.043 1.00 0.21 C ATOM 1828 CG2 VAL A 112 4.693 1.645 -2.062 1.00 0.18 C ATOM 0 H VAL A 112 4.054 4.110 -2.918 1.00 0.24 H new ATOM 0 HA VAL A 112 6.716 3.202 -2.859 1.00 0.22 H new ATOM 0 HB VAL A 112 4.207 2.241 -4.147 1.00 0.18 H new ATOM 0 HG11 VAL A 112 5.114 -0.089 -3.972 1.00 0.21 H new ATOM 0 HG12 VAL A 112 6.053 0.935 -5.085 1.00 0.21 H new ATOM 0 HG13 VAL A 112 6.676 0.590 -3.454 1.00 0.21 H new ATOM 0 HG21 VAL A 112 4.120 0.718 -2.058 1.00 0.18 H new ATOM 0 HG22 VAL A 112 5.604 1.511 -1.478 1.00 0.18 H new ATOM 0 HG23 VAL A 112 4.095 2.444 -1.623 1.00 0.18 H new ATOM 1838 N ASN A 113 5.641 4.225 -5.801 1.00 0.24 N ATOM 1839 CA ASN A 113 5.990 4.710 -7.128 1.00 0.26 C ATOM 1840 C ASN A 113 6.803 6.001 -7.018 1.00 0.26 C ATOM 1841 O ASN A 113 7.927 6.052 -7.509 1.00 0.33 O ATOM 1842 CB ASN A 113 4.688 4.914 -7.921 1.00 0.37 C ATOM 1843 CG ASN A 113 4.888 5.209 -9.395 1.00 1.64 C ATOM 1844 OD1 ASN A 113 5.595 6.129 -9.774 1.00 2.88 O ATOM 1845 ND2 ASN A 113 4.262 4.431 -10.268 1.00 2.20 N ATOM 0 H ASN A 113 4.655 4.372 -5.587 1.00 0.24 H new ATOM 0 HA ASN A 113 6.613 3.987 -7.654 1.00 0.26 H new ATOM 0 HB2 ASN A 113 4.074 4.019 -7.823 1.00 0.37 H new ATOM 0 HB3 ASN A 113 4.129 5.735 -7.472 1.00 0.37 H new ATOM 0 HD21 ASN A 113 4.369 4.598 -11.269 1.00 2.20 H new ATOM 0 HD22 ASN A 113 3.674 3.665 -9.939 1.00 2.20 H new ATOM 1852 N ASP A 114 6.249 7.021 -6.357 1.00 0.24 N ATOM 1853 CA ASP A 114 6.855 8.343 -6.223 1.00 0.32 C ATOM 1854 C ASP A 114 6.990 8.711 -4.739 1.00 0.31 C ATOM 1855 O ASP A 114 6.082 9.290 -4.142 1.00 0.31 O ATOM 1856 CB ASP A 114 6.036 9.391 -6.989 1.00 0.43 C ATOM 1857 CG ASP A 114 6.731 10.752 -6.960 1.00 0.85 C ATOM 1858 OD1 ASP A 114 7.979 10.751 -6.839 1.00 0.98 O ATOM 1859 OD2 ASP A 114 6.018 11.769 -7.104 1.00 1.45 O ATOM 0 H ASP A 114 5.345 6.946 -5.890 1.00 0.24 H new ATOM 0 HA ASP A 114 7.854 8.323 -6.659 1.00 0.32 H new ATOM 0 HB2 ASP A 114 5.900 9.069 -8.022 1.00 0.43 H new ATOM 0 HB3 ASP A 114 5.043 9.476 -6.548 1.00 0.43 H new ATOM 1864 N PRO A 115 8.102 8.335 -4.096 1.00 0.32 N ATOM 1865 CA PRO A 115 8.282 8.530 -2.667 1.00 0.32 C ATOM 1866 C PRO A 115 8.515 10.006 -2.360 1.00 0.28 C ATOM 1867 O PRO A 115 9.183 10.697 -3.126 1.00 0.37 O ATOM 1868 CB PRO A 115 9.505 7.682 -2.299 1.00 0.39 C ATOM 1869 CG PRO A 115 10.301 7.639 -3.598 1.00 0.44 C ATOM 1870 CD PRO A 115 9.215 7.604 -4.669 1.00 0.38 C ATOM 0 HA PRO A 115 7.405 8.233 -2.092 1.00 0.32 H new ATOM 0 HB2 PRO A 115 10.079 8.133 -1.489 1.00 0.39 H new ATOM 0 HB3 PRO A 115 9.218 6.684 -1.969 1.00 0.39 H new ATOM 0 HG2 PRO A 115 10.945 8.512 -3.705 1.00 0.44 H new ATOM 0 HG3 PRO A 115 10.944 6.761 -3.648 1.00 0.44 H new ATOM 0 HD2 PRO A 115 9.558 8.067 -5.594 1.00 0.38 H new ATOM 0 HD3 PRO A 115 8.932 6.580 -4.911 1.00 0.38 H new ATOM 1878 N GLN A 116 8.025 10.488 -1.214 1.00 0.25 N ATOM 1879 CA GLN A 116 8.198 11.889 -0.845 1.00 0.26 C ATOM 1880 C GLN A 116 9.307 12.034 0.204 1.00 0.25 C ATOM 1881 O GLN A 116 9.019 11.923 1.392 1.00 0.35 O ATOM 1882 CB GLN A 116 6.877 12.465 -0.313 1.00 0.35 C ATOM 1883 CG GLN A 116 5.799 12.509 -1.402 1.00 1.73 C ATOM 1884 CD GLN A 116 4.654 13.439 -1.002 1.00 1.91 C ATOM 1885 OE1 GLN A 116 3.560 12.914 -0.468 1.00 2.39 O flip ATOM 1886 NE2 GLN A 116 4.746 14.647 -1.160 1.00 2.20 N flip ATOM 0 H GLN A 116 7.510 9.931 -0.533 1.00 0.25 H new ATOM 0 HA GLN A 116 8.490 12.450 -1.733 1.00 0.26 H new ATOM 0 HB2 GLN A 116 6.526 11.859 0.522 1.00 0.35 H new ATOM 0 HB3 GLN A 116 7.047 13.471 0.072 1.00 0.35 H new ATOM 0 HG2 GLN A 116 6.238 12.849 -2.340 1.00 1.73 H new ATOM 0 HG3 GLN A 116 5.413 11.505 -1.577 1.00 1.73 H new ATOM 0 HE21 GLN A 116 5.590 15.045 -1.571 1.00 2.20 H new ATOM 0 HE22 GLN A 116 3.978 15.258 -0.880 1.00 2.20 H new ATOM 1895 N PRO A 117 10.559 12.341 -0.179 1.00 0.27 N ATOM 1896 CA PRO A 117 11.666 12.505 0.761 1.00 0.29 C ATOM 1897 C PRO A 117 11.600 13.806 1.570 1.00 0.40 C ATOM 1898 O PRO A 117 12.564 14.140 2.250 1.00 0.65 O ATOM 1899 CB PRO A 117 12.938 12.437 -0.094 1.00 0.35 C ATOM 1900 CG PRO A 117 12.468 13.002 -1.432 1.00 0.40 C ATOM 1901 CD PRO A 117 11.049 12.447 -1.543 1.00 0.34 C ATOM 0 HA PRO A 117 11.634 11.724 1.521 1.00 0.29 H new ATOM 0 HB2 PRO A 117 13.747 13.029 0.335 1.00 0.35 H new ATOM 0 HB3 PRO A 117 13.307 11.416 -0.192 1.00 0.35 H new ATOM 0 HG2 PRO A 117 12.479 14.092 -1.439 1.00 0.40 H new ATOM 0 HG3 PRO A 117 13.099 12.671 -2.257 1.00 0.40 H new ATOM 0 HD2 PRO A 117 10.416 13.107 -2.136 1.00 0.34 H new ATOM 0 HD3 PRO A 117 11.046 11.475 -2.036 1.00 0.34 H new ATOM 1909 N GLU A 118 10.488 14.545 1.534 1.00 0.35 N ATOM 1910 CA GLU A 118 10.295 15.732 2.336 1.00 0.44 C ATOM 1911 C GLU A 118 10.114 15.326 3.802 1.00 0.37 C ATOM 1912 O GLU A 118 10.838 15.815 4.666 1.00 0.52 O ATOM 1913 CB GLU A 118 9.115 16.509 1.731 1.00 0.54 C ATOM 1914 CG GLU A 118 8.402 17.358 2.775 1.00 1.99 C ATOM 1915 CD GLU A 118 7.432 18.383 2.178 1.00 2.31 C ATOM 1916 OE1 GLU A 118 7.147 18.279 0.966 1.00 2.42 O ATOM 1917 OE2 GLU A 118 7.000 19.268 2.950 1.00 3.39 O ATOM 0 H GLU A 118 9.692 14.323 0.935 1.00 0.35 H new ATOM 0 HA GLU A 118 11.158 16.398 2.326 1.00 0.44 H new ATOM 0 HB2 GLU A 118 9.476 17.150 0.926 1.00 0.54 H new ATOM 0 HB3 GLU A 118 8.408 15.808 1.288 1.00 0.54 H new ATOM 0 HG2 GLU A 118 7.853 16.702 3.451 1.00 1.99 H new ATOM 0 HG3 GLU A 118 9.147 17.882 3.375 1.00 1.99 H new ATOM 1924 N HIS A 119 9.165 14.433 4.102 1.00 0.27 N ATOM 1925 CA HIS A 119 8.961 13.968 5.473 1.00 0.28 C ATOM 1926 C HIS A 119 8.288 12.589 5.526 1.00 0.33 C ATOM 1927 O HIS A 119 7.202 12.443 6.082 1.00 0.43 O ATOM 1928 CB HIS A 119 8.177 15.026 6.273 1.00 0.33 C ATOM 1929 CG HIS A 119 6.795 15.399 5.774 1.00 0.98 C ATOM 1930 ND1 HIS A 119 6.002 16.382 6.322 1.00 2.01 N ATOM 1931 CD2 HIS A 119 6.087 14.834 4.744 1.00 2.39 C ATOM 1932 CE1 HIS A 119 4.844 16.402 5.638 1.00 2.38 C ATOM 1933 NE2 HIS A 119 4.846 15.471 4.671 1.00 2.62 N ATOM 0 H HIS A 119 8.531 14.021 3.417 1.00 0.27 H new ATOM 0 HA HIS A 119 9.938 13.839 5.938 1.00 0.28 H new ATOM 0 HB2 HIS A 119 8.079 14.668 7.298 1.00 0.33 H new ATOM 0 HB3 HIS A 119 8.778 15.934 6.308 1.00 0.33 H new ATOM 0 HD2 HIS A 119 6.429 14.036 4.102 1.00 2.39 H new ATOM 0 HE1 HIS A 119 4.024 17.076 5.839 1.00 2.38 H new ATOM 0 HE2 HIS A 119 4.092 15.269 4.014 1.00 2.62 H new ATOM 1941 N PRO A 120 8.898 11.554 4.939 1.00 0.30 N ATOM 1942 CA PRO A 120 8.325 10.220 4.934 1.00 0.30 C ATOM 1943 C PRO A 120 8.636 9.508 6.258 1.00 0.34 C ATOM 1944 O PRO A 120 9.319 10.058 7.121 1.00 0.47 O ATOM 1945 CB PRO A 120 8.994 9.545 3.743 1.00 0.29 C ATOM 1946 CG PRO A 120 10.399 10.134 3.788 1.00 0.31 C ATOM 1947 CD PRO A 120 10.193 11.563 4.287 1.00 0.30 C ATOM 0 HA PRO A 120 7.239 10.207 4.846 1.00 0.30 H new ATOM 0 HB2 PRO A 120 9.004 8.460 3.843 1.00 0.29 H new ATOM 0 HB3 PRO A 120 8.486 9.774 2.806 1.00 0.29 H new ATOM 0 HG2 PRO A 120 11.046 9.568 4.458 1.00 0.31 H new ATOM 0 HG3 PRO A 120 10.868 10.120 2.804 1.00 0.31 H new ATOM 0 HD2 PRO A 120 10.981 11.856 4.981 1.00 0.30 H new ATOM 0 HD3 PRO A 120 10.214 12.275 3.462 1.00 0.30 H new ATOM 1955 N LEU A 121 8.165 8.265 6.412 1.00 0.26 N ATOM 1956 CA LEU A 121 8.279 7.507 7.658 1.00 0.24 C ATOM 1957 C LEU A 121 9.734 7.357 8.077 1.00 0.25 C ATOM 1958 O LEU A 121 10.088 7.591 9.230 1.00 0.35 O ATOM 1959 CB LEU A 121 7.629 6.118 7.508 1.00 0.20 C ATOM 1960 CG LEU A 121 6.388 6.005 8.394 1.00 0.21 C ATOM 1961 CD1 LEU A 121 5.578 4.766 8.018 1.00 0.51 C ATOM 1962 CD2 LEU A 121 6.764 5.920 9.875 1.00 0.49 C ATOM 0 H LEU A 121 7.690 7.755 5.667 1.00 0.26 H new ATOM 0 HA LEU A 121 7.753 8.062 8.434 1.00 0.24 H new ATOM 0 HB2 LEU A 121 7.355 5.949 6.466 1.00 0.20 H new ATOM 0 HB3 LEU A 121 8.347 5.344 7.778 1.00 0.20 H new ATOM 0 HG LEU A 121 5.791 6.903 8.233 1.00 0.21 H new ATOM 0 HD11 LEU A 121 4.698 4.699 8.657 1.00 0.51 H new ATOM 0 HD12 LEU A 121 5.265 4.838 6.976 1.00 0.51 H new ATOM 0 HD13 LEU A 121 6.192 3.875 8.152 1.00 0.51 H new ATOM 0 HD21 LEU A 121 5.858 5.841 10.476 1.00 0.49 H new ATOM 0 HD22 LEU A 121 7.389 5.042 10.042 1.00 0.49 H new ATOM 0 HD23 LEU A 121 7.313 6.816 10.163 1.00 0.49 H new ATOM 1974 N ARG A 122 10.583 6.963 7.132 1.00 0.24 N ATOM 1975 CA ARG A 122 12.015 6.904 7.334 1.00 0.25 C ATOM 1976 C ARG A 122 12.645 7.865 6.345 1.00 0.25 C ATOM 1977 O ARG A 122 13.022 7.463 5.246 1.00 0.30 O ATOM 1978 CB ARG A 122 12.517 5.466 7.149 1.00 0.27 C ATOM 1979 CG ARG A 122 12.205 4.588 8.373 1.00 0.32 C ATOM 1980 CD ARG A 122 13.337 3.593 8.675 1.00 0.47 C ATOM 1981 NE ARG A 122 14.594 4.280 9.031 1.00 1.01 N ATOM 1982 CZ ARG A 122 15.717 3.679 9.448 1.00 2.00 C ATOM 1983 NH1 ARG A 122 16.836 4.376 9.622 1.00 2.50 N ATOM 1984 NH2 ARG A 122 15.740 2.374 9.687 1.00 3.13 N ATOM 0 H ARG A 122 10.287 6.675 6.199 1.00 0.24 H new ATOM 0 HA ARG A 122 12.289 7.196 8.348 1.00 0.25 H new ATOM 0 HB2 ARG A 122 12.055 5.031 6.263 1.00 0.27 H new ATOM 0 HB3 ARG A 122 13.593 5.477 6.974 1.00 0.27 H new ATOM 0 HG2 ARG A 122 12.041 5.224 9.243 1.00 0.32 H new ATOM 0 HG3 ARG A 122 11.279 4.041 8.199 1.00 0.32 H new ATOM 0 HD2 ARG A 122 13.036 2.939 9.494 1.00 0.47 H new ATOM 0 HD3 ARG A 122 13.504 2.958 7.805 1.00 0.47 H new ATOM 0 HE ARG A 122 14.609 5.297 8.953 1.00 1.01 H new ATOM 0 HH11 ARG A 122 16.846 5.379 9.438 1.00 2.50 H new ATOM 0 HH12 ARG A 122 17.684 3.907 9.940 1.00 2.50 H new ATOM 0 HH21 ARG A 122 14.897 1.816 9.554 1.00 3.13 H new ATOM 0 HH22 ARG A 122 16.601 1.929 10.004 1.00 3.13 H new ATOM 1998 N ALA A 123 12.790 9.127 6.764 1.00 0.27 N ATOM 1999 CA ALA A 123 13.506 10.146 6.010 1.00 0.26 C ATOM 2000 C ALA A 123 14.821 9.586 5.490 1.00 0.26 C ATOM 2001 O ALA A 123 15.125 9.756 4.324 1.00 0.25 O ATOM 2002 CB ALA A 123 13.732 11.387 6.878 1.00 0.29 C ATOM 0 H ALA A 123 12.407 9.467 7.646 1.00 0.27 H new ATOM 0 HA ALA A 123 12.904 10.444 5.151 1.00 0.26 H new ATOM 0 HB1 ALA A 123 14.268 12.141 6.302 1.00 0.29 H new ATOM 0 HB2 ALA A 123 12.770 11.789 7.195 1.00 0.29 H new ATOM 0 HB3 ALA A 123 14.319 11.115 7.755 1.00 0.29 H new ATOM 2008 N ASP A 124 15.552 8.865 6.339 1.00 0.32 N ATOM 2009 CA ASP A 124 16.815 8.194 6.053 1.00 0.36 C ATOM 2010 C ASP A 124 16.796 7.366 4.759 1.00 0.35 C ATOM 2011 O ASP A 124 17.573 7.633 3.847 1.00 0.37 O ATOM 2012 CB ASP A 124 17.110 7.341 7.288 1.00 0.55 C ATOM 2013 CG ASP A 124 18.448 6.621 7.251 1.00 1.28 C ATOM 2014 OD1 ASP A 124 18.531 5.631 8.011 1.00 2.17 O ATOM 2015 OD2 ASP A 124 19.349 7.078 6.523 1.00 2.80 O ATOM 0 H ASP A 124 15.257 8.726 7.306 1.00 0.32 H new ATOM 0 HA ASP A 124 17.602 8.925 5.868 1.00 0.36 H new ATOM 0 HB2 ASP A 124 17.079 7.980 8.171 1.00 0.55 H new ATOM 0 HB3 ASP A 124 16.317 6.602 7.402 1.00 0.55 H new ATOM 2020 N LEU A 125 15.880 6.402 4.604 1.00 0.38 N ATOM 2021 CA LEU A 125 15.734 5.685 3.339 1.00 0.43 C ATOM 2022 C LEU A 125 15.506 6.650 2.170 1.00 0.40 C ATOM 2023 O LEU A 125 15.951 6.414 1.047 1.00 0.49 O ATOM 2024 CB LEU A 125 14.567 4.696 3.466 1.00 0.45 C ATOM 2025 CG LEU A 125 14.884 3.516 4.390 1.00 0.60 C ATOM 2026 CD1 LEU A 125 13.604 2.721 4.632 1.00 1.22 C ATOM 2027 CD2 LEU A 125 15.953 2.623 3.767 1.00 1.36 C ATOM 0 H LEU A 125 15.235 6.105 5.336 1.00 0.38 H new ATOM 0 HA LEU A 125 16.656 5.143 3.127 1.00 0.43 H new ATOM 0 HB2 LEU A 125 13.691 5.222 3.845 1.00 0.45 H new ATOM 0 HB3 LEU A 125 14.309 4.317 2.477 1.00 0.45 H new ATOM 0 HG LEU A 125 15.268 3.890 5.339 1.00 0.60 H new ATOM 0 HD11 LEU A 125 13.818 1.878 5.289 1.00 1.22 H new ATOM 0 HD12 LEU A 125 12.859 3.365 5.099 1.00 1.22 H new ATOM 0 HD13 LEU A 125 13.220 2.352 3.681 1.00 1.22 H new ATOM 0 HD21 LEU A 125 16.166 1.790 4.436 1.00 1.36 H new ATOM 0 HD22 LEU A 125 15.595 2.239 2.812 1.00 1.36 H new ATOM 0 HD23 LEU A 125 16.863 3.202 3.607 1.00 1.36 H new ATOM 2039 N ALA A 126 14.795 7.744 2.431 1.00 0.31 N ATOM 2040 CA ALA A 126 14.510 8.783 1.459 1.00 0.30 C ATOM 2041 C ALA A 126 15.754 9.614 1.147 1.00 0.27 C ATOM 2042 O ALA A 126 15.859 10.175 0.062 1.00 0.29 O ATOM 2043 CB ALA A 126 13.375 9.669 1.975 1.00 0.29 C ATOM 0 H ALA A 126 14.393 7.932 3.349 1.00 0.31 H new ATOM 0 HA ALA A 126 14.199 8.311 0.527 1.00 0.30 H new ATOM 0 HB1 ALA A 126 13.162 10.449 1.244 1.00 0.29 H new ATOM 0 HB2 ALA A 126 12.482 9.063 2.130 1.00 0.29 H new ATOM 0 HB3 ALA A 126 13.671 10.127 2.919 1.00 0.29 H new ATOM 2049 N GLU A 127 16.694 9.709 2.082 1.00 0.27 N ATOM 2050 CA GLU A 127 17.960 10.385 1.894 1.00 0.27 C ATOM 2051 C GLU A 127 18.831 9.568 0.968 1.00 0.29 C ATOM 2052 O GLU A 127 19.316 10.097 -0.022 1.00 0.34 O ATOM 2053 CB GLU A 127 18.695 10.641 3.209 1.00 0.31 C ATOM 2054 CG GLU A 127 17.858 11.577 4.077 1.00 0.33 C ATOM 2055 CD GLU A 127 18.733 12.473 4.949 1.00 0.64 C ATOM 2056 OE1 GLU A 127 19.577 13.185 4.353 1.00 1.45 O ATOM 2057 OE2 GLU A 127 18.572 12.431 6.187 1.00 1.94 O ATOM 0 H GLU A 127 16.588 9.306 3.013 1.00 0.27 H new ATOM 0 HA GLU A 127 17.748 11.360 1.456 1.00 0.27 H new ATOM 0 HB2 GLU A 127 18.870 9.700 3.731 1.00 0.31 H new ATOM 0 HB3 GLU A 127 19.672 11.083 3.013 1.00 0.31 H new ATOM 0 HG2 GLU A 127 17.225 12.195 3.440 1.00 0.33 H new ATOM 0 HG3 GLU A 127 17.194 10.989 4.711 1.00 0.33 H new ATOM 2064 N GLU A 128 19.010 8.278 1.259 1.00 0.29 N ATOM 2065 CA GLU A 128 19.770 7.388 0.387 1.00 0.31 C ATOM 2066 C GLU A 128 19.162 7.430 -1.018 1.00 0.30 C ATOM 2067 O GLU A 128 19.876 7.415 -2.015 1.00 0.31 O ATOM 2068 CB GLU A 128 19.749 5.964 0.966 1.00 0.33 C ATOM 2069 CG GLU A 128 20.748 5.021 0.278 1.00 0.48 C ATOM 2070 CD GLU A 128 22.173 5.171 0.816 1.00 1.93 C ATOM 2071 OE1 GLU A 128 22.496 4.448 1.783 1.00 2.85 O ATOM 2072 OE2 GLU A 128 22.933 5.974 0.223 1.00 3.07 O ATOM 0 H GLU A 128 18.637 7.828 2.095 1.00 0.29 H new ATOM 0 HA GLU A 128 20.809 7.711 0.324 1.00 0.31 H new ATOM 0 HB2 GLU A 128 19.974 6.008 2.032 1.00 0.33 H new ATOM 0 HB3 GLU A 128 18.744 5.553 0.869 1.00 0.33 H new ATOM 0 HG2 GLU A 128 20.420 3.990 0.414 1.00 0.48 H new ATOM 0 HG3 GLU A 128 20.747 5.218 -0.794 1.00 0.48 H new ATOM 2079 N TYR A 129 17.833 7.537 -1.109 1.00 0.29 N ATOM 2080 CA TYR A 129 17.156 7.627 -2.398 1.00 0.30 C ATOM 2081 C TYR A 129 17.509 8.942 -3.096 1.00 0.29 C ATOM 2082 O TYR A 129 17.927 8.966 -4.250 1.00 0.33 O ATOM 2083 CB TYR A 129 15.641 7.532 -2.175 1.00 0.32 C ATOM 2084 CG TYR A 129 14.799 7.680 -3.429 1.00 0.72 C ATOM 2085 CD1 TYR A 129 14.769 6.636 -4.365 1.00 1.92 C ATOM 2086 CD2 TYR A 129 14.036 8.841 -3.658 1.00 1.77 C ATOM 2087 CE1 TYR A 129 13.972 6.723 -5.517 1.00 2.29 C ATOM 2088 CE2 TYR A 129 13.239 8.946 -4.815 1.00 2.19 C ATOM 2089 CZ TYR A 129 13.195 7.879 -5.743 1.00 1.91 C ATOM 2090 OH TYR A 129 12.420 7.950 -6.861 1.00 2.50 O ATOM 0 H TYR A 129 17.208 7.563 -0.303 1.00 0.29 H new ATOM 0 HA TYR A 129 17.482 6.806 -3.037 1.00 0.30 H new ATOM 0 HB2 TYR A 129 15.416 6.570 -1.716 1.00 0.32 H new ATOM 0 HB3 TYR A 129 15.344 8.302 -1.463 1.00 0.32 H new ATOM 0 HD1 TYR A 129 15.367 5.753 -4.197 1.00 1.92 H new ATOM 0 HD2 TYR A 129 14.062 9.652 -2.946 1.00 1.77 H new ATOM 0 HE1 TYR A 129 13.954 5.909 -6.227 1.00 2.29 H new ATOM 0 HE2 TYR A 129 12.662 9.841 -4.994 1.00 2.19 H new ATOM 0 HH TYR A 129 11.944 8.806 -6.875 1.00 2.50 H new ATOM 2100 N SER A 130 17.306 10.057 -2.404 1.00 0.29 N ATOM 2101 CA SER A 130 17.371 11.397 -2.964 1.00 0.31 C ATOM 2102 C SER A 130 18.805 11.746 -3.350 1.00 0.34 C ATOM 2103 O SER A 130 19.030 12.502 -4.293 1.00 0.52 O ATOM 2104 CB SER A 130 16.798 12.392 -1.950 1.00 0.33 C ATOM 2105 OG SER A 130 16.690 13.677 -2.529 1.00 0.56 O ATOM 0 H SER A 130 17.085 10.051 -1.408 1.00 0.29 H new ATOM 0 HA SER A 130 16.774 11.447 -3.874 1.00 0.31 H new ATOM 0 HB2 SER A 130 15.818 12.054 -1.613 1.00 0.33 H new ATOM 0 HB3 SER A 130 17.440 12.435 -1.070 1.00 0.33 H new ATOM 0 HG SER A 130 16.321 14.302 -1.871 1.00 0.56 H new ATOM 2111 N LYS A 131 19.777 11.212 -2.611 1.00 0.31 N ATOM 2112 CA LYS A 131 21.177 11.269 -2.982 1.00 0.34 C ATOM 2113 C LYS A 131 21.394 10.357 -4.184 1.00 0.36 C ATOM 2114 O LYS A 131 22.025 10.768 -5.154 1.00 0.47 O ATOM 2115 CB LYS A 131 22.071 10.850 -1.800 1.00 0.44 C ATOM 2116 CG LYS A 131 22.409 12.007 -0.840 1.00 0.65 C ATOM 2117 CD LYS A 131 21.611 12.003 0.471 1.00 0.96 C ATOM 2118 CE LYS A 131 22.254 12.997 1.449 1.00 1.51 C ATOM 2119 NZ LYS A 131 21.619 12.971 2.785 1.00 2.18 N ATOM 0 H LYS A 131 19.606 10.725 -1.731 1.00 0.31 H new ATOM 0 HA LYS A 131 21.450 12.291 -3.246 1.00 0.34 H new ATOM 0 HB2 LYS A 131 21.572 10.059 -1.240 1.00 0.44 H new ATOM 0 HB3 LYS A 131 22.998 10.429 -2.188 1.00 0.44 H new ATOM 0 HG2 LYS A 131 23.472 11.966 -0.603 1.00 0.65 H new ATOM 0 HG3 LYS A 131 22.233 12.952 -1.354 1.00 0.65 H new ATOM 0 HD2 LYS A 131 20.574 12.279 0.281 1.00 0.96 H new ATOM 0 HD3 LYS A 131 21.601 11.002 0.903 1.00 0.96 H new ATOM 0 HE2 LYS A 131 23.315 12.767 1.550 1.00 1.51 H new ATOM 0 HE3 LYS A 131 22.184 14.004 1.037 1.00 1.51 H new ATOM 0 HZ1 LYS A 131 22.044 13.706 3.386 1.00 2.18 H new ATOM 0 HZ2 LYS A 131 20.599 13.150 2.688 1.00 2.18 H new ATOM 0 HZ3 LYS A 131 21.767 12.039 3.222 1.00 2.18 H new ATOM 2133 N ASP A 132 20.918 9.111 -4.127 1.00 0.31 N ATOM 2134 CA ASP A 132 21.344 8.110 -5.092 1.00 0.34 C ATOM 2135 C ASP A 132 20.286 7.036 -5.353 1.00 0.36 C ATOM 2136 O ASP A 132 20.370 5.891 -4.902 1.00 0.43 O ATOM 2137 CB ASP A 132 22.648 7.482 -4.617 1.00 0.37 C ATOM 2138 CG ASP A 132 23.324 6.715 -5.747 1.00 0.52 C ATOM 2139 OD1 ASP A 132 24.490 6.312 -5.530 1.00 1.77 O ATOM 2140 OD2 ASP A 132 22.705 6.580 -6.833 1.00 1.65 O ATOM 0 H ASP A 132 20.248 8.780 -3.432 1.00 0.31 H new ATOM 0 HA ASP A 132 21.496 8.615 -6.046 1.00 0.34 H new ATOM 0 HB2 ASP A 132 23.317 8.259 -4.248 1.00 0.37 H new ATOM 0 HB3 ASP A 132 22.450 6.809 -3.783 1.00 0.37 H new ATOM 2145 N ARG A 133 19.324 7.379 -6.210 1.00 0.34 N ATOM 2146 CA ARG A 133 18.249 6.471 -6.581 1.00 0.32 C ATOM 2147 C ARG A 133 18.768 5.181 -7.208 1.00 0.31 C ATOM 2148 O ARG A 133 17.999 4.235 -7.309 1.00 0.31 O ATOM 2149 CB ARG A 133 17.240 7.109 -7.547 1.00 0.33 C ATOM 2150 CG ARG A 133 16.508 8.346 -7.006 1.00 0.45 C ATOM 2151 CD ARG A 133 17.235 9.674 -7.241 1.00 1.26 C ATOM 2152 NE ARG A 133 16.369 10.818 -6.923 1.00 1.73 N ATOM 2153 CZ ARG A 133 16.799 12.075 -6.758 1.00 2.93 C ATOM 2154 NH1 ARG A 133 15.940 13.042 -6.433 1.00 3.80 N ATOM 2155 NH2 ARG A 133 18.089 12.363 -6.913 1.00 3.87 N ATOM 0 H ARG A 133 19.272 8.292 -6.663 1.00 0.34 H new ATOM 0 HA ARG A 133 17.745 6.240 -5.643 1.00 0.32 H new ATOM 0 HB2 ARG A 133 17.763 7.388 -8.462 1.00 0.33 H new ATOM 0 HB3 ARG A 133 16.498 6.358 -7.820 1.00 0.33 H new ATOM 0 HG2 ARG A 133 15.523 8.400 -7.469 1.00 0.45 H new ATOM 0 HG3 ARG A 133 16.350 8.218 -5.935 1.00 0.45 H new ATOM 0 HD2 ARG A 133 18.134 9.713 -6.626 1.00 1.26 H new ATOM 0 HD3 ARG A 133 17.557 9.736 -8.280 1.00 1.26 H new ATOM 0 HE ARG A 133 15.370 10.642 -6.821 1.00 1.73 H new ATOM 0 HH11 ARG A 133 14.951 12.825 -6.309 1.00 3.80 H new ATOM 0 HH12 ARG A 133 16.272 13.998 -6.308 1.00 3.80 H new ATOM 0 HH21 ARG A 133 18.750 11.626 -7.158 1.00 3.87 H new ATOM 0 HH22 ARG A 133 18.416 13.321 -6.787 1.00 3.87 H new ATOM 2169 N LYS A 134 20.027 5.096 -7.655 1.00 0.34 N ATOM 2170 CA LYS A 134 20.511 3.844 -8.222 1.00 0.34 C ATOM 2171 C LYS A 134 20.626 2.795 -7.132 1.00 0.33 C ATOM 2172 O LYS A 134 20.191 1.668 -7.354 1.00 0.36 O ATOM 2173 CB LYS A 134 21.844 4.025 -8.944 1.00 0.39 C ATOM 2174 CG LYS A 134 21.623 4.680 -10.318 1.00 0.54 C ATOM 2175 CD LYS A 134 22.614 5.819 -10.553 1.00 1.65 C ATOM 2176 CE LYS A 134 22.167 7.042 -9.746 1.00 2.95 C ATOM 2177 NZ LYS A 134 23.308 7.780 -9.172 1.00 4.33 N ATOM 0 H LYS A 134 20.706 5.857 -7.635 1.00 0.34 H new ATOM 0 HA LYS A 134 19.788 3.508 -8.966 1.00 0.34 H new ATOM 0 HB2 LYS A 134 22.510 4.643 -8.342 1.00 0.39 H new ATOM 0 HB3 LYS A 134 22.332 3.058 -9.069 1.00 0.39 H new ATOM 0 HG2 LYS A 134 21.733 3.931 -11.103 1.00 0.54 H new ATOM 0 HG3 LYS A 134 20.604 5.062 -10.382 1.00 0.54 H new ATOM 0 HD2 LYS A 134 23.616 5.515 -10.251 1.00 1.65 H new ATOM 0 HD3 LYS A 134 22.661 6.064 -11.614 1.00 1.65 H new ATOM 0 HE2 LYS A 134 21.592 7.709 -10.389 1.00 2.95 H new ATOM 0 HE3 LYS A 134 21.503 6.722 -8.943 1.00 2.95 H new ATOM 0 HZ1 LYS A 134 23.119 8.802 -9.218 1.00 4.33 H new ATOM 0 HZ2 LYS A 134 23.441 7.497 -8.180 1.00 4.33 H new ATOM 0 HZ3 LYS A 134 24.169 7.562 -9.713 1.00 4.33 H new ATOM 2191 N LYS A 135 21.169 3.132 -5.956 1.00 0.32 N ATOM 2192 CA LYS A 135 21.179 2.144 -4.881 1.00 0.34 C ATOM 2193 C LYS A 135 19.764 1.740 -4.550 1.00 0.34 C ATOM 2194 O LYS A 135 19.513 0.565 -4.354 1.00 0.39 O ATOM 2195 CB LYS A 135 21.863 2.618 -3.598 1.00 0.38 C ATOM 2196 CG LYS A 135 23.388 2.528 -3.712 1.00 0.43 C ATOM 2197 CD LYS A 135 24.027 3.892 -3.946 1.00 1.16 C ATOM 2198 CE LYS A 135 25.139 4.169 -2.935 1.00 1.46 C ATOM 2199 NZ LYS A 135 25.595 5.566 -3.060 1.00 2.85 N ATOM 0 H LYS A 135 21.587 4.036 -5.734 1.00 0.32 H new ATOM 0 HA LYS A 135 21.761 1.303 -5.258 1.00 0.34 H new ATOM 0 HB2 LYS A 135 21.572 3.647 -3.388 1.00 0.38 H new ATOM 0 HB3 LYS A 135 21.523 2.013 -2.758 1.00 0.38 H new ATOM 0 HG2 LYS A 135 23.794 2.090 -2.800 1.00 0.43 H new ATOM 0 HG3 LYS A 135 23.651 1.859 -4.532 1.00 0.43 H new ATOM 0 HD2 LYS A 135 24.433 3.936 -4.957 1.00 1.16 H new ATOM 0 HD3 LYS A 135 23.266 4.669 -3.874 1.00 1.16 H new ATOM 0 HE2 LYS A 135 24.777 3.985 -1.924 1.00 1.46 H new ATOM 0 HE3 LYS A 135 25.974 3.488 -3.104 1.00 1.46 H new ATOM 0 HZ1 LYS A 135 26.633 5.589 -3.115 1.00 2.85 H new ATOM 0 HZ2 LYS A 135 25.193 5.987 -3.922 1.00 2.85 H new ATOM 0 HZ3 LYS A 135 25.281 6.109 -2.231 1.00 2.85 H new ATOM 2213 N PHE A 136 18.830 2.682 -4.493 1.00 0.33 N ATOM 2214 CA PHE A 136 17.465 2.336 -4.145 1.00 0.34 C ATOM 2215 C PHE A 136 16.898 1.376 -5.179 1.00 0.32 C ATOM 2216 O PHE A 136 16.215 0.421 -4.840 1.00 0.32 O ATOM 2217 CB PHE A 136 16.605 3.591 -4.068 1.00 0.37 C ATOM 2218 CG PHE A 136 15.230 3.298 -3.509 1.00 0.80 C ATOM 2219 CD1 PHE A 136 14.237 2.711 -4.319 1.00 1.89 C ATOM 2220 CD2 PHE A 136 14.959 3.574 -2.159 1.00 2.14 C ATOM 2221 CE1 PHE A 136 13.004 2.340 -3.764 1.00 2.28 C ATOM 2222 CE2 PHE A 136 13.713 3.238 -1.616 1.00 2.69 C ATOM 2223 CZ PHE A 136 12.749 2.591 -2.407 1.00 2.23 C ATOM 0 H PHE A 136 18.991 3.672 -4.680 1.00 0.33 H new ATOM 0 HA PHE A 136 17.461 1.852 -3.168 1.00 0.34 H new ATOM 0 HB2 PHE A 136 17.101 4.333 -3.442 1.00 0.37 H new ATOM 0 HB3 PHE A 136 16.508 4.026 -5.063 1.00 0.37 H new ATOM 0 HD1 PHE A 136 14.426 2.547 -5.369 1.00 1.89 H new ATOM 0 HD2 PHE A 136 15.710 4.044 -1.541 1.00 2.14 H new ATOM 0 HE1 PHE A 136 12.254 1.863 -4.378 1.00 2.28 H new ATOM 0 HE2 PHE A 136 13.492 3.477 -0.586 1.00 2.69 H new ATOM 0 HZ PHE A 136 11.810 2.286 -1.970 1.00 2.23 H new ATOM 2233 N CYS A 137 17.150 1.654 -6.454 1.00 0.32 N ATOM 2234 CA CYS A 137 16.598 0.897 -7.554 1.00 0.31 C ATOM 2235 C CYS A 137 17.157 -0.521 -7.528 1.00 0.30 C ATOM 2236 O CYS A 137 16.432 -1.468 -7.797 1.00 0.36 O ATOM 2237 CB CYS A 137 16.919 1.592 -8.880 1.00 0.32 C ATOM 2238 SG CYS A 137 15.892 0.880 -10.196 1.00 1.74 S ATOM 0 H CYS A 137 17.752 2.423 -6.748 1.00 0.32 H new ATOM 0 HA CYS A 137 15.514 0.843 -7.455 1.00 0.31 H new ATOM 0 HB2 CYS A 137 16.733 2.663 -8.797 1.00 0.32 H new ATOM 0 HB3 CYS A 137 17.975 1.470 -9.121 1.00 0.32 H new ATOM 0 HG CYS A 137 16.161 1.469 -11.323 1.00 1.74 H new ATOM 2244 N LYS A 138 18.450 -0.685 -7.246 1.00 0.30 N ATOM 2245 CA LYS A 138 19.058 -2.015 -7.319 1.00 0.32 C ATOM 2246 C LYS A 138 18.755 -2.801 -6.052 1.00 0.32 C ATOM 2247 O LYS A 138 18.343 -3.955 -6.113 1.00 0.32 O ATOM 2248 CB LYS A 138 20.565 -1.911 -7.595 1.00 0.43 C ATOM 2249 CG LYS A 138 20.841 -1.493 -9.049 1.00 0.71 C ATOM 2250 CD LYS A 138 20.535 -2.631 -10.036 1.00 1.65 C ATOM 2251 CE LYS A 138 20.544 -2.160 -11.492 1.00 2.32 C ATOM 2252 NZ LYS A 138 21.911 -1.919 -11.998 1.00 2.33 N ATOM 0 H LYS A 138 19.084 0.066 -6.971 1.00 0.30 H new ATOM 0 HA LYS A 138 18.621 -2.562 -8.155 1.00 0.32 H new ATOM 0 HB2 LYS A 138 21.012 -1.186 -6.915 1.00 0.43 H new ATOM 0 HB3 LYS A 138 21.040 -2.871 -7.394 1.00 0.43 H new ATOM 0 HG2 LYS A 138 20.235 -0.622 -9.299 1.00 0.71 H new ATOM 0 HG3 LYS A 138 21.884 -1.195 -9.150 1.00 0.71 H new ATOM 0 HD2 LYS A 138 21.271 -3.425 -9.910 1.00 1.65 H new ATOM 0 HD3 LYS A 138 19.560 -3.059 -9.802 1.00 1.65 H new ATOM 0 HE2 LYS A 138 20.055 -2.908 -12.116 1.00 2.32 H new ATOM 0 HE3 LYS A 138 19.961 -1.243 -11.578 1.00 2.32 H new ATOM 0 HZ1 LYS A 138 21.864 -1.602 -12.987 1.00 2.33 H new ATOM 0 HZ2 LYS A 138 22.371 -1.186 -11.421 1.00 2.33 H new ATOM 0 HZ3 LYS A 138 22.462 -2.799 -11.942 1.00 2.33 H new ATOM 2266 N ASN A 139 18.898 -2.149 -4.905 1.00 0.34 N ATOM 2267 CA ASN A 139 18.473 -2.670 -3.616 1.00 0.35 C ATOM 2268 C ASN A 139 17.047 -3.179 -3.713 1.00 0.31 C ATOM 2269 O ASN A 139 16.776 -4.281 -3.257 1.00 0.36 O ATOM 2270 CB ASN A 139 18.560 -1.593 -2.527 1.00 0.44 C ATOM 2271 CG ASN A 139 19.982 -1.310 -2.070 1.00 0.62 C ATOM 2272 OD1 ASN A 139 20.906 -2.048 -2.389 1.00 1.40 O ATOM 2273 ND2 ASN A 139 20.175 -0.262 -1.282 1.00 0.62 N ATOM 0 H ASN A 139 19.322 -1.223 -4.846 1.00 0.34 H new ATOM 0 HA ASN A 139 19.140 -3.488 -3.344 1.00 0.35 H new ATOM 0 HB2 ASN A 139 18.117 -0.671 -2.902 1.00 0.44 H new ATOM 0 HB3 ASN A 139 17.966 -1.906 -1.668 1.00 0.44 H new ATOM 0 HD21 ASN A 139 21.109 -0.056 -0.927 1.00 0.62 H new ATOM 0 HD22 ASN A 139 19.390 0.338 -1.030 1.00 0.62 H new ATOM 2280 N ALA A 140 16.141 -2.387 -4.287 1.00 0.29 N ATOM 2281 CA ALA A 140 14.757 -2.768 -4.498 1.00 0.28 C ATOM 2282 C ALA A 140 14.652 -3.953 -5.445 1.00 0.22 C ATOM 2283 O ALA A 140 13.880 -4.843 -5.156 1.00 0.24 O ATOM 2284 CB ALA A 140 13.925 -1.597 -5.015 1.00 0.32 C ATOM 0 H ALA A 140 16.359 -1.448 -4.622 1.00 0.29 H new ATOM 0 HA ALA A 140 14.354 -3.065 -3.530 1.00 0.28 H new ATOM 0 HB1 ALA A 140 12.894 -1.920 -5.161 1.00 0.32 H new ATOM 0 HB2 ALA A 140 13.951 -0.784 -4.290 1.00 0.32 H new ATOM 0 HB3 ALA A 140 14.335 -1.250 -5.964 1.00 0.32 H new ATOM 2290 N GLU A 141 15.377 -4.000 -6.562 1.00 0.21 N ATOM 2291 CA GLU A 141 15.363 -5.144 -7.472 1.00 0.22 C ATOM 2292 C GLU A 141 15.561 -6.444 -6.690 1.00 0.25 C ATOM 2293 O GLU A 141 14.826 -7.421 -6.852 1.00 0.32 O ATOM 2294 CB GLU A 141 16.459 -4.944 -8.535 1.00 0.27 C ATOM 2295 CG GLU A 141 16.169 -5.754 -9.796 1.00 0.76 C ATOM 2296 CD GLU A 141 17.339 -5.795 -10.784 1.00 1.17 C ATOM 2297 OE1 GLU A 141 17.345 -6.752 -11.592 1.00 2.57 O ATOM 2298 OE2 GLU A 141 18.173 -4.861 -10.764 1.00 1.15 O ATOM 0 H GLU A 141 15.992 -3.244 -6.862 1.00 0.21 H new ATOM 0 HA GLU A 141 14.398 -5.215 -7.975 1.00 0.22 H new ATOM 0 HB2 GLU A 141 16.532 -3.887 -8.789 1.00 0.27 H new ATOM 0 HB3 GLU A 141 17.424 -5.241 -8.124 1.00 0.27 H new ATOM 0 HG2 GLU A 141 15.910 -6.774 -9.511 1.00 0.76 H new ATOM 0 HG3 GLU A 141 15.297 -5.332 -10.296 1.00 0.76 H new ATOM 2305 N GLU A 142 16.550 -6.434 -5.800 1.00 0.27 N ATOM 2306 CA GLU A 142 16.851 -7.571 -4.963 1.00 0.29 C ATOM 2307 C GLU A 142 15.776 -7.792 -3.903 1.00 0.28 C ATOM 2308 O GLU A 142 15.361 -8.919 -3.675 1.00 0.32 O ATOM 2309 CB GLU A 142 18.219 -7.386 -4.303 1.00 0.36 C ATOM 2310 CG GLU A 142 19.326 -7.975 -5.186 1.00 0.55 C ATOM 2311 CD GLU A 142 20.657 -8.039 -4.438 1.00 1.13 C ATOM 2312 OE1 GLU A 142 21.673 -7.594 -5.007 1.00 2.78 O ATOM 2313 OE2 GLU A 142 20.632 -8.558 -3.296 1.00 1.89 O ATOM 0 H GLU A 142 17.161 -5.632 -5.646 1.00 0.27 H new ATOM 0 HA GLU A 142 16.873 -8.457 -5.597 1.00 0.29 H new ATOM 0 HB2 GLU A 142 18.407 -6.326 -4.133 1.00 0.36 H new ATOM 0 HB3 GLU A 142 18.227 -7.872 -3.327 1.00 0.36 H new ATOM 0 HG2 GLU A 142 19.041 -8.975 -5.512 1.00 0.55 H new ATOM 0 HG3 GLU A 142 19.440 -7.368 -6.084 1.00 0.55 H new ATOM 2320 N PHE A 143 15.351 -6.748 -3.199 1.00 0.28 N ATOM 2321 CA PHE A 143 14.410 -6.873 -2.088 1.00 0.31 C ATOM 2322 C PHE A 143 13.103 -7.472 -2.587 1.00 0.25 C ATOM 2323 O PHE A 143 12.528 -8.361 -1.962 1.00 0.26 O ATOM 2324 CB PHE A 143 14.185 -5.503 -1.440 1.00 0.39 C ATOM 2325 CG PHE A 143 14.386 -5.448 0.061 1.00 1.01 C ATOM 2326 CD1 PHE A 143 13.507 -4.689 0.851 1.00 0.93 C ATOM 2327 CD2 PHE A 143 15.511 -6.054 0.657 1.00 2.08 C ATOM 2328 CE1 PHE A 143 13.756 -4.532 2.224 1.00 1.71 C ATOM 2329 CE2 PHE A 143 15.744 -5.913 2.036 1.00 2.84 C ATOM 2330 CZ PHE A 143 14.866 -5.149 2.820 1.00 2.61 C ATOM 0 H PHE A 143 15.649 -5.790 -3.382 1.00 0.28 H new ATOM 0 HA PHE A 143 14.822 -7.540 -1.331 1.00 0.31 H new ATOM 0 HB2 PHE A 143 14.861 -4.785 -1.906 1.00 0.39 H new ATOM 0 HB3 PHE A 143 13.169 -5.177 -1.665 1.00 0.39 H new ATOM 0 HD1 PHE A 143 12.640 -4.226 0.403 1.00 0.93 H new ATOM 0 HD2 PHE A 143 16.196 -6.629 0.052 1.00 2.08 H new ATOM 0 HE1 PHE A 143 13.089 -3.932 2.825 1.00 1.71 H new ATOM 0 HE2 PHE A 143 16.598 -6.392 2.492 1.00 2.84 H new ATOM 0 HZ PHE A 143 15.044 -5.036 3.879 1.00 2.61 H new ATOM 2340 N THR A 144 12.671 -7.003 -3.750 1.00 0.24 N ATOM 2341 CA THR A 144 11.594 -7.562 -4.519 1.00 0.24 C ATOM 2342 C THR A 144 11.824 -9.066 -4.705 1.00 0.24 C ATOM 2343 O THR A 144 10.981 -9.848 -4.286 1.00 0.25 O ATOM 2344 CB THR A 144 11.458 -6.789 -5.837 1.00 0.27 C ATOM 2345 OG1 THR A 144 11.104 -5.442 -5.604 1.00 0.33 O ATOM 2346 CG2 THR A 144 10.340 -7.399 -6.655 1.00 0.25 C ATOM 0 H THR A 144 13.088 -6.185 -4.193 1.00 0.24 H new ATOM 0 HA THR A 144 10.643 -7.459 -3.997 1.00 0.24 H new ATOM 0 HB THR A 144 12.417 -6.839 -6.352 1.00 0.27 H new ATOM 0 HG1 THR A 144 11.908 -4.925 -5.386 1.00 0.33 H new ATOM 0 HG21 THR A 144 10.237 -6.855 -7.594 1.00 0.25 H new ATOM 0 HG22 THR A 144 10.571 -8.443 -6.865 1.00 0.25 H new ATOM 0 HG23 THR A 144 9.406 -7.339 -6.097 1.00 0.25 H new ATOM 2354 N LYS A 145 12.934 -9.525 -5.297 1.00 0.31 N ATOM 2355 CA LYS A 145 13.071 -10.971 -5.489 1.00 0.39 C ATOM 2356 C LYS A 145 13.261 -11.761 -4.184 1.00 0.42 C ATOM 2357 O LYS A 145 13.062 -12.972 -4.182 1.00 0.54 O ATOM 2358 CB LYS A 145 14.167 -11.294 -6.509 1.00 0.57 C ATOM 2359 CG LYS A 145 15.597 -11.090 -5.993 1.00 1.67 C ATOM 2360 CD LYS A 145 16.449 -12.318 -6.287 1.00 1.68 C ATOM 2361 CE LYS A 145 17.829 -12.137 -5.643 1.00 2.97 C ATOM 2362 NZ LYS A 145 18.930 -12.505 -6.558 1.00 3.81 N ATOM 0 H LYS A 145 13.709 -8.953 -5.634 1.00 0.31 H new ATOM 0 HA LYS A 145 12.115 -11.307 -5.891 1.00 0.39 H new ATOM 0 HB2 LYS A 145 14.054 -12.330 -6.829 1.00 0.57 H new ATOM 0 HB3 LYS A 145 14.020 -10.670 -7.391 1.00 0.57 H new ATOM 0 HG2 LYS A 145 16.039 -10.212 -6.465 1.00 1.67 H new ATOM 0 HG3 LYS A 145 15.579 -10.900 -4.920 1.00 1.67 H new ATOM 0 HD2 LYS A 145 15.966 -13.213 -5.896 1.00 1.68 H new ATOM 0 HD3 LYS A 145 16.551 -12.456 -7.363 1.00 1.68 H new ATOM 0 HE2 LYS A 145 17.949 -11.099 -5.333 1.00 2.97 H new ATOM 0 HE3 LYS A 145 17.889 -12.747 -4.742 1.00 2.97 H new ATOM 0 HZ1 LYS A 145 19.842 -12.366 -6.078 1.00 3.81 H new ATOM 0 HZ2 LYS A 145 18.833 -13.503 -6.834 1.00 3.81 H new ATOM 0 HZ3 LYS A 145 18.891 -11.906 -7.407 1.00 3.81 H new ATOM 2376 N LYS A 146 13.709 -11.123 -3.096 1.00 0.38 N ATOM 2377 CA LYS A 146 13.955 -11.778 -1.812 1.00 0.41 C ATOM 2378 C LYS A 146 12.621 -12.076 -1.136 1.00 0.34 C ATOM 2379 O LYS A 146 12.342 -13.214 -0.778 1.00 0.37 O ATOM 2380 CB LYS A 146 14.820 -10.879 -0.905 1.00 0.48 C ATOM 2381 CG LYS A 146 16.337 -11.127 -1.017 1.00 0.72 C ATOM 2382 CD LYS A 146 17.146 -9.861 -1.334 1.00 0.99 C ATOM 2383 CE LYS A 146 18.527 -9.910 -0.667 1.00 1.35 C ATOM 2384 NZ LYS A 146 19.313 -8.684 -0.923 1.00 2.23 N ATOM 0 H LYS A 146 13.913 -10.124 -3.086 1.00 0.38 H new ATOM 0 HA LYS A 146 14.493 -12.710 -1.983 1.00 0.41 H new ATOM 0 HB2 LYS A 146 14.616 -9.836 -1.148 1.00 0.48 H new ATOM 0 HB3 LYS A 146 14.516 -11.030 0.131 1.00 0.48 H new ATOM 0 HG2 LYS A 146 16.697 -11.553 -0.080 1.00 0.72 H new ATOM 0 HG3 LYS A 146 16.519 -11.868 -1.795 1.00 0.72 H new ATOM 0 HD2 LYS A 146 17.263 -9.760 -2.413 1.00 0.99 H new ATOM 0 HD3 LYS A 146 16.602 -8.982 -0.989 1.00 0.99 H new ATOM 0 HE2 LYS A 146 18.405 -10.044 0.408 1.00 1.35 H new ATOM 0 HE3 LYS A 146 19.077 -10.776 -1.036 1.00 1.35 H new ATOM 0 HZ1 LYS A 146 19.975 -8.526 -0.137 1.00 2.23 H new ATOM 0 HZ2 LYS A 146 19.847 -8.793 -1.809 1.00 2.23 H new ATOM 0 HZ3 LYS A 146 18.670 -7.870 -1.004 1.00 2.23 H new ATOM 2398 N TYR A 147 11.843 -11.024 -0.895 1.00 0.29 N ATOM 2399 CA TYR A 147 10.622 -11.049 -0.104 1.00 0.27 C ATOM 2400 C TYR A 147 9.409 -10.567 -0.886 1.00 0.23 C ATOM 2401 O TYR A 147 8.289 -10.887 -0.500 1.00 0.30 O ATOM 2402 CB TYR A 147 10.795 -10.153 1.119 1.00 0.38 C ATOM 2403 CG TYR A 147 10.974 -10.972 2.365 1.00 0.38 C ATOM 2404 CD1 TYR A 147 12.250 -11.439 2.710 1.00 1.92 C ATOM 2405 CD2 TYR A 147 9.852 -11.327 3.133 1.00 1.71 C ATOM 2406 CE1 TYR A 147 12.415 -12.259 3.835 1.00 1.91 C ATOM 2407 CE2 TYR A 147 10.015 -12.131 4.270 1.00 1.74 C ATOM 2408 CZ TYR A 147 11.296 -12.604 4.628 1.00 0.43 C ATOM 2409 OH TYR A 147 11.447 -13.340 5.762 1.00 0.49 O ATOM 0 H TYR A 147 12.057 -10.096 -1.261 1.00 0.29 H new ATOM 0 HA TYR A 147 10.447 -12.086 0.184 1.00 0.27 H new ATOM 0 HB2 TYR A 147 11.659 -9.504 0.979 1.00 0.38 H new ATOM 0 HB3 TYR A 147 9.924 -9.506 1.227 1.00 0.38 H new ATOM 0 HD1 TYR A 147 13.105 -11.167 2.109 1.00 1.92 H new ATOM 0 HD2 TYR A 147 8.869 -10.982 2.849 1.00 1.71 H new ATOM 0 HE1 TYR A 147 13.396 -12.627 4.096 1.00 1.91 H new ATOM 0 HE2 TYR A 147 9.158 -12.389 4.874 1.00 1.74 H new ATOM 0 HH TYR A 147 10.572 -13.481 6.180 1.00 0.49 H new ATOM 2419 N GLY A 148 9.604 -9.715 -1.893 1.00 0.21 N ATOM 2420 CA GLY A 148 8.509 -9.139 -2.655 1.00 0.20 C ATOM 2421 C GLY A 148 7.639 -10.228 -3.271 1.00 0.21 C ATOM 2422 O GLY A 148 8.103 -11.324 -3.580 1.00 0.25 O ATOM 0 H GLY A 148 10.527 -9.408 -2.199 1.00 0.21 H new ATOM 0 HA2 GLY A 148 7.902 -8.508 -2.006 1.00 0.20 H new ATOM 0 HA3 GLY A 148 8.907 -8.498 -3.442 1.00 0.20 H new ATOM 2426 N GLU A 149 6.352 -9.930 -3.430 1.00 0.20 N ATOM 2427 CA GLU A 149 5.407 -10.930 -3.890 1.00 0.20 C ATOM 2428 C GLU A 149 5.664 -11.283 -5.354 1.00 0.23 C ATOM 2429 O GLU A 149 6.305 -10.549 -6.105 1.00 0.31 O ATOM 2430 CB GLU A 149 3.967 -10.440 -3.720 1.00 0.26 C ATOM 2431 CG GLU A 149 3.282 -11.074 -2.506 1.00 0.80 C ATOM 2432 CD GLU A 149 3.048 -12.582 -2.595 1.00 0.52 C ATOM 2433 OE1 GLU A 149 3.578 -13.205 -3.538 1.00 1.38 O ATOM 2434 OE2 GLU A 149 2.334 -13.088 -1.699 1.00 1.24 O ATOM 0 H GLU A 149 5.947 -9.012 -3.248 1.00 0.20 H new ATOM 0 HA GLU A 149 5.546 -11.824 -3.281 1.00 0.20 H new ATOM 0 HB2 GLU A 149 3.964 -9.355 -3.612 1.00 0.26 H new ATOM 0 HB3 GLU A 149 3.397 -10.672 -4.620 1.00 0.26 H new ATOM 0 HG2 GLU A 149 3.886 -10.869 -1.622 1.00 0.80 H new ATOM 0 HG3 GLU A 149 2.320 -10.583 -2.356 1.00 0.80 H new ATOM 2441 N LYS A 150 5.101 -12.395 -5.798 1.00 0.24 N ATOM 2442 CA LYS A 150 5.232 -12.869 -7.158 1.00 0.30 C ATOM 2443 C LYS A 150 4.216 -12.108 -7.999 1.00 0.34 C ATOM 2444 O LYS A 150 3.091 -12.562 -8.191 1.00 0.45 O ATOM 2445 CB LYS A 150 4.984 -14.383 -7.175 1.00 0.43 C ATOM 2446 CG LYS A 150 5.861 -15.123 -6.153 1.00 1.44 C ATOM 2447 CD LYS A 150 7.351 -15.147 -6.529 1.00 2.80 C ATOM 2448 CE LYS A 150 7.824 -16.605 -6.596 1.00 3.72 C ATOM 2449 NZ LYS A 150 9.296 -16.716 -6.690 1.00 5.20 N ATOM 0 H LYS A 150 4.530 -13.002 -5.209 1.00 0.24 H new ATOM 0 HA LYS A 150 6.228 -12.697 -7.566 1.00 0.30 H new ATOM 0 HB2 LYS A 150 3.934 -14.580 -6.961 1.00 0.43 H new ATOM 0 HB3 LYS A 150 5.185 -14.772 -8.173 1.00 0.43 H new ATOM 0 HG2 LYS A 150 5.748 -14.649 -5.178 1.00 1.44 H new ATOM 0 HG3 LYS A 150 5.503 -16.148 -6.053 1.00 1.44 H new ATOM 0 HD2 LYS A 150 7.505 -14.656 -7.490 1.00 2.80 H new ATOM 0 HD3 LYS A 150 7.935 -14.595 -5.792 1.00 2.80 H new ATOM 0 HE2 LYS A 150 7.478 -17.138 -5.710 1.00 3.72 H new ATOM 0 HE3 LYS A 150 7.370 -17.092 -7.459 1.00 3.72 H new ATOM 0 HZ1 LYS A 150 9.566 -17.719 -6.733 1.00 5.20 H new ATOM 0 HZ2 LYS A 150 9.627 -16.231 -7.549 1.00 5.20 H new ATOM 0 HZ3 LYS A 150 9.731 -16.275 -5.855 1.00 5.20 H new ATOM 2463 N ARG A 151 4.593 -10.915 -8.464 1.00 0.35 N ATOM 2464 CA ARG A 151 3.693 -10.106 -9.278 1.00 0.40 C ATOM 2465 C ARG A 151 3.285 -10.897 -10.523 1.00 0.53 C ATOM 2466 O ARG A 151 4.013 -11.792 -10.956 1.00 0.62 O ATOM 2467 CB ARG A 151 4.304 -8.721 -9.570 1.00 0.54 C ATOM 2468 CG ARG A 151 4.993 -8.498 -10.922 1.00 0.86 C ATOM 2469 CD ARG A 151 6.187 -9.430 -11.169 1.00 1.13 C ATOM 2470 NE ARG A 151 5.950 -10.313 -12.311 1.00 1.35 N ATOM 2471 CZ ARG A 151 6.668 -11.401 -12.589 1.00 2.06 C ATOM 2472 NH1 ARG A 151 6.172 -12.321 -13.411 1.00 2.61 N ATOM 2473 NH2 ARG A 151 7.872 -11.562 -12.048 1.00 3.18 N ATOM 0 H ARG A 151 5.506 -10.494 -8.292 1.00 0.35 H new ATOM 0 HA ARG A 151 2.775 -9.893 -8.731 1.00 0.40 H new ATOM 0 HB2 ARG A 151 3.509 -7.981 -9.476 1.00 0.54 H new ATOM 0 HB3 ARG A 151 5.032 -8.508 -8.787 1.00 0.54 H new ATOM 0 HG2 ARG A 151 4.263 -8.639 -11.719 1.00 0.86 H new ATOM 0 HG3 ARG A 151 5.333 -7.464 -10.980 1.00 0.86 H new ATOM 0 HD2 ARG A 151 7.083 -8.836 -11.347 1.00 1.13 H new ATOM 0 HD3 ARG A 151 6.373 -10.029 -10.277 1.00 1.13 H new ATOM 0 HE ARG A 151 5.181 -10.080 -12.939 1.00 1.35 H new ATOM 0 HH11 ARG A 151 5.248 -12.191 -13.824 1.00 2.61 H new ATOM 0 HH12 ARG A 151 6.715 -13.156 -13.629 1.00 2.61 H new ATOM 0 HH21 ARG A 151 8.248 -10.852 -11.419 1.00 3.18 H new ATOM 0 HH22 ARG A 151 8.420 -12.395 -12.262 1.00 3.18 H new