USER MOD reduce.3.24.130724 H: found=0, std=0, add=1272, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1271 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 99 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 103 GLN : amide:sc= -0.0553 X(o=-0.055,f=-0.52) USER MOD Set 2.1: A 91 SER OG : rot -144:sc= 0.221 USER MOD Set 2.2: A 94 ASN : amide:sc= -0.274 K(o=-0.053,f=-4!) USER MOD Set 3.1: A 75 TYR OH : rot 49:sc= 0.632 USER MOD Set 3.2: A 139 ASN : amide:sc= -0.0219 K(o=0.61,f=-1.5) USER MOD Set 4.1: A 31 ASN : amide:sc= 0.641 K(o=1.3,f=-2.1) USER MOD Set 4.2: A 34 THR OG1 : rot 93:sc= 0.735 USER MOD Set 4.3: A 56 ASN : amide:sc= -0.0721 X(o=1.3,f=1.4) USER MOD Set 5.1: A 24 ASN : amide:sc= 0.203 X(o=0.13,f=0) USER MOD Set 5.2: A 26 GLN : amide:sc= -0.0767 X(o=0.13,f=0.16) USER MOD Set 6.1: A 21 ASN : amide:sc= 0.816 K(o=1.6,f=-6.2!) USER MOD Set 6.2: A 113 ASN : amide:sc= 0.756 K(o=1.6,f=-7.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -145:sc= 1.32 (180deg=-0.461) USER MOD Single : A 4 SER OG : rot 130:sc= -0.686 USER MOD Single : A 8 MET CE :methyl -171:sc= 0 (180deg=-0.0882) USER MOD Single : A 9 LYS NZ :NH3+ 136:sc= -0.0153 (180deg=-1.33) USER MOD Single : A 16 LYS NZ :NH3+ 167:sc=-0.00721 (180deg=-0.143) 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 36 GLN : amide:sc=-0.00996 K(o=-0.01,f=-1.2) USER MOD Single : A 43 ASN : amide:sc= -0.0668 X(o=-0.067,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -141:sc= -0.0758 (180deg=-1.12) USER MOD Single : A 61 TYR OH : rot 147:sc= 0.468 USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= 0.0868 (180deg=-0.0625) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0593 USER MOD Single : A 71 LYS NZ :NH3+ 171:sc= 1.1 (180deg=1.05) USER MOD Single : A 72 THR OG1 : rot 110:sc= 0.0559 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -1.91 F(o=-2.9!,f=-1.9) USER MOD Single : A 78 ASN :FLIP amide:sc= -1.7! C(o=-2.6!,f=-1.7!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0.756 K(o=0.76,f=0) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -168:sc= 0.721 (180deg=0.612) USER MOD Single : A 100 LYS NZ :NH3+ 167:sc= 0.68 (180deg=0.0836) USER MOD Single : A 101 THR OG1 : rot -169:sc= 2.08 USER MOD Single : A 106 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.6!) USER MOD Single : A 107 SER OG : rot -140:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 119 HIS : no HE2:sc= 0.277 K(o=0.28,f=-1.6) 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+ -135:sc= 0.874 (180deg=-0.975!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ 163:sc= 0.604 (180deg=0.239) USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 164:sc= -0.0329 (180deg=-0.273) USER MOD Single : A 144 THR OG1 : rot 88:sc= 0.956 USER MOD Single : A 145 LYS NZ :NH3+ 176:sc= 1.09 (180deg=1.06) USER MOD Single : A 146 LYS NZ :NH3+ -172:sc= 1.23 (180deg=0.947) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.122) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.435 -6.013 10.951 1.00 1.92 N ATOM 2 CA MET A 1 -20.530 -5.390 9.973 1.00 1.10 C ATOM 3 C MET A 1 -21.312 -4.388 9.125 1.00 1.14 C ATOM 4 O MET A 1 -22.097 -4.763 8.260 1.00 1.59 O ATOM 5 CB MET A 1 -19.744 -6.462 9.201 1.00 1.23 C ATOM 6 CG MET A 1 -20.587 -7.488 8.429 1.00 2.55 C ATOM 7 SD MET A 1 -21.414 -8.704 9.491 1.00 3.02 S ATOM 8 CE MET A 1 -22.181 -9.763 8.236 1.00 4.59 C ATOM 0 H1 MET A 1 -20.919 -6.192 11.836 1.00 1.92 H new ATOM 0 H2 MET A 1 -22.235 -5.375 11.139 1.00 1.92 H new ATOM 0 H3 MET A 1 -21.792 -6.913 10.570 1.00 1.92 H new ATOM 0 HA MET A 1 -19.755 -4.804 10.467 1.00 1.10 H new ATOM 0 HB2 MET A 1 -19.081 -5.961 8.495 1.00 1.23 H new ATOM 0 HB3 MET A 1 -19.111 -6.999 9.907 1.00 1.23 H new ATOM 0 HG2 MET A 1 -21.339 -6.959 7.844 1.00 2.55 H new ATOM 0 HG3 MET A 1 -19.945 -8.014 7.722 1.00 2.55 H new ATOM 0 HE1 MET A 1 -22.732 -10.566 8.725 1.00 4.59 H new ATOM 0 HE2 MET A 1 -22.866 -9.171 7.629 1.00 4.59 H new ATOM 0 HE3 MET A 1 -21.407 -10.190 7.598 1.00 4.59 H new ATOM 20 N ALA A 2 -21.198 -3.101 9.478 1.00 1.04 N ATOM 21 CA ALA A 2 -21.799 -2.006 8.728 1.00 0.99 C ATOM 22 C ALA A 2 -20.839 -1.524 7.648 1.00 0.84 C ATOM 23 O ALA A 2 -21.177 -1.531 6.468 1.00 1.00 O ATOM 24 CB ALA A 2 -22.181 -0.866 9.670 1.00 1.15 C ATOM 0 H ALA A 2 -20.680 -2.795 10.301 1.00 1.04 H new ATOM 0 HA ALA A 2 -22.708 -2.363 8.244 1.00 0.99 H new ATOM 0 HB1 ALA A 2 -22.629 -0.055 9.096 1.00 1.15 H new ATOM 0 HB2 ALA A 2 -22.898 -1.228 10.407 1.00 1.15 H new ATOM 0 HB3 ALA A 2 -21.289 -0.501 10.180 1.00 1.15 H new ATOM 30 N ALA A 3 -19.629 -1.123 8.051 1.00 0.60 N ATOM 31 CA ALA A 3 -18.606 -0.633 7.140 1.00 0.43 C ATOM 32 C ALA A 3 -18.380 -1.613 5.998 1.00 0.30 C ATOM 33 O ALA A 3 -18.185 -1.194 4.866 1.00 0.27 O ATOM 34 CB ALA A 3 -17.298 -0.400 7.894 1.00 0.38 C ATOM 0 H ALA A 3 -19.336 -1.132 9.028 1.00 0.60 H new ATOM 0 HA ALA A 3 -18.950 0.312 6.719 1.00 0.43 H new ATOM 0 HB1 ALA A 3 -16.540 -0.033 7.202 1.00 0.38 H new ATOM 0 HB2 ALA A 3 -17.458 0.337 8.681 1.00 0.38 H new ATOM 0 HB3 ALA A 3 -16.962 -1.337 8.338 1.00 0.38 H new ATOM 40 N SER A 4 -18.438 -2.914 6.280 1.00 0.32 N ATOM 41 CA SER A 4 -18.244 -3.972 5.305 1.00 0.30 C ATOM 42 C SER A 4 -19.166 -3.804 4.115 1.00 0.30 C ATOM 43 O SER A 4 -18.777 -4.094 2.996 1.00 0.32 O ATOM 44 CB SER A 4 -18.531 -5.309 5.962 1.00 0.37 C ATOM 45 OG SER A 4 -19.860 -5.303 6.436 1.00 1.04 O ATOM 0 H SER A 4 -18.626 -3.264 7.219 1.00 0.32 H new ATOM 0 HA SER A 4 -17.214 -3.926 4.952 1.00 0.30 H new ATOM 0 HB2 SER A 4 -18.388 -6.120 5.248 1.00 0.37 H new ATOM 0 HB3 SER A 4 -17.837 -5.483 6.784 1.00 0.37 H new ATOM 0 HG SER A 4 -20.321 -6.111 6.128 1.00 1.04 H new ATOM 51 N ARG A 5 -20.397 -3.353 4.348 1.00 0.34 N ATOM 52 CA ARG A 5 -21.320 -3.091 3.251 1.00 0.36 C ATOM 53 C ARG A 5 -20.690 -2.108 2.266 1.00 0.35 C ATOM 54 O ARG A 5 -20.641 -2.355 1.062 1.00 0.46 O ATOM 55 CB ARG A 5 -22.655 -2.576 3.797 1.00 0.42 C ATOM 56 CG ARG A 5 -23.257 -3.599 4.772 1.00 0.95 C ATOM 57 CD ARG A 5 -24.787 -3.541 4.785 1.00 1.38 C ATOM 58 NE ARG A 5 -25.349 -4.728 5.450 1.00 1.93 N ATOM 59 CZ ARG A 5 -25.527 -4.894 6.767 1.00 2.69 C ATOM 60 NH1 ARG A 5 -25.994 -6.053 7.233 1.00 3.18 N ATOM 61 NH2 ARG A 5 -25.244 -3.903 7.612 1.00 4.03 N ATOM 0 H ARG A 5 -20.773 -3.164 5.277 1.00 0.34 H new ATOM 0 HA ARG A 5 -21.522 -4.017 2.713 1.00 0.36 H new ATOM 0 HB2 ARG A 5 -22.506 -1.623 4.304 1.00 0.42 H new ATOM 0 HB3 ARG A 5 -23.347 -2.395 2.975 1.00 0.42 H new ATOM 0 HG2 ARG A 5 -22.934 -4.602 4.492 1.00 0.95 H new ATOM 0 HG3 ARG A 5 -22.878 -3.411 5.776 1.00 0.95 H new ATOM 0 HD2 ARG A 5 -25.117 -2.639 5.301 1.00 1.38 H new ATOM 0 HD3 ARG A 5 -25.162 -3.479 3.763 1.00 1.38 H new ATOM 0 HE ARG A 5 -25.631 -5.501 4.848 1.00 1.93 H new ATOM 0 HH11 ARG A 5 -26.215 -6.811 6.587 1.00 3.18 H new ATOM 0 HH12 ARG A 5 -26.130 -6.182 8.236 1.00 3.18 H new ATOM 0 HH21 ARG A 5 -24.891 -3.015 7.256 1.00 4.03 H new ATOM 0 HH22 ARG A 5 -25.381 -4.033 8.614 1.00 4.03 H new ATOM 75 N ARG A 6 -20.175 -0.998 2.794 1.00 0.29 N ATOM 76 CA ARG A 6 -19.526 0.024 1.982 1.00 0.30 C ATOM 77 C ARG A 6 -18.255 -0.543 1.350 1.00 0.29 C ATOM 78 O ARG A 6 -17.948 -0.238 0.207 1.00 0.45 O ATOM 79 CB ARG A 6 -19.230 1.265 2.842 1.00 0.34 C ATOM 80 CG ARG A 6 -20.514 1.918 3.382 1.00 0.39 C ATOM 81 CD ARG A 6 -21.134 2.896 2.377 1.00 1.85 C ATOM 82 NE ARG A 6 -20.326 4.120 2.240 1.00 1.81 N ATOM 83 CZ ARG A 6 -20.469 5.041 1.277 1.00 2.41 C ATOM 84 NH1 ARG A 6 -19.660 6.101 1.251 1.00 2.83 N ATOM 85 NH2 ARG A 6 -21.418 4.903 0.350 1.00 3.19 N ATOM 0 H ARG A 6 -20.197 -0.785 3.791 1.00 0.29 H new ATOM 0 HA ARG A 6 -20.191 0.329 1.174 1.00 0.30 H new ATOM 0 HB2 ARG A 6 -18.590 0.982 3.677 1.00 0.34 H new ATOM 0 HB3 ARG A 6 -18.676 1.993 2.248 1.00 0.34 H new ATOM 0 HG2 ARG A 6 -21.239 1.142 3.626 1.00 0.39 H new ATOM 0 HG3 ARG A 6 -20.289 2.446 4.309 1.00 0.39 H new ATOM 0 HD2 ARG A 6 -21.226 2.410 1.406 1.00 1.85 H new ATOM 0 HD3 ARG A 6 -22.142 3.159 2.699 1.00 1.85 H new ATOM 0 HE ARG A 6 -19.597 4.280 2.936 1.00 1.81 H new ATOM 0 HH11 ARG A 6 -18.936 6.208 1.962 1.00 2.83 H new ATOM 0 HH12 ARG A 6 -19.765 6.805 0.520 1.00 2.83 H new ATOM 0 HH21 ARG A 6 -22.039 4.094 0.372 1.00 3.19 H new ATOM 0 HH22 ARG A 6 -21.523 5.607 -0.381 1.00 3.19 H new ATOM 99 N LEU A 7 -17.481 -1.329 2.095 1.00 0.25 N ATOM 100 CA LEU A 7 -16.169 -1.805 1.682 1.00 0.24 C ATOM 101 C LEU A 7 -16.286 -2.859 0.589 1.00 0.28 C ATOM 102 O LEU A 7 -15.423 -2.921 -0.272 1.00 0.34 O ATOM 103 CB LEU A 7 -15.409 -2.373 2.888 1.00 0.26 C ATOM 104 CG LEU A 7 -15.028 -1.292 3.915 1.00 0.29 C ATOM 105 CD1 LEU A 7 -14.678 -1.943 5.253 1.00 0.34 C ATOM 106 CD2 LEU A 7 -13.829 -0.461 3.462 1.00 0.37 C ATOM 0 H LEU A 7 -17.757 -1.658 3.020 1.00 0.25 H new ATOM 0 HA LEU A 7 -15.613 -0.959 1.277 1.00 0.24 H new ATOM 0 HB2 LEU A 7 -16.023 -3.130 3.375 1.00 0.26 H new ATOM 0 HB3 LEU A 7 -14.505 -2.872 2.540 1.00 0.26 H new ATOM 0 HG LEU A 7 -15.891 -0.634 4.015 1.00 0.29 H new ATOM 0 HD11 LEU A 7 -14.410 -1.171 5.974 1.00 0.34 H new ATOM 0 HD12 LEU A 7 -15.538 -2.501 5.622 1.00 0.34 H new ATOM 0 HD13 LEU A 7 -13.836 -2.622 5.118 1.00 0.34 H new ATOM 0 HD21 LEU A 7 -13.598 0.288 4.219 1.00 0.37 H new ATOM 0 HD22 LEU A 7 -12.967 -1.113 3.322 1.00 0.37 H new ATOM 0 HD23 LEU A 7 -14.065 0.036 2.521 1.00 0.37 H new ATOM 118 N MET A 8 -17.324 -3.690 0.607 1.00 0.35 N ATOM 119 CA MET A 8 -17.526 -4.747 -0.371 1.00 0.50 C ATOM 120 C MET A 8 -17.874 -4.116 -1.705 1.00 0.46 C ATOM 121 O MET A 8 -17.282 -4.443 -2.730 1.00 0.44 O ATOM 122 CB MET A 8 -18.671 -5.661 0.083 1.00 0.63 C ATOM 123 CG MET A 8 -18.708 -6.964 -0.721 1.00 1.07 C ATOM 124 SD MET A 8 -20.360 -7.703 -0.855 1.00 1.40 S ATOM 125 CE MET A 8 -20.795 -7.864 0.897 1.00 3.22 C ATOM 0 H MET A 8 -18.058 -3.645 1.314 1.00 0.35 H new ATOM 0 HA MET A 8 -16.617 -5.341 -0.467 1.00 0.50 H new ATOM 0 HB2 MET A 8 -18.556 -5.890 1.142 1.00 0.63 H new ATOM 0 HB3 MET A 8 -19.621 -5.138 -0.028 1.00 0.63 H new ATOM 0 HG2 MET A 8 -18.325 -6.771 -1.723 1.00 1.07 H new ATOM 0 HG3 MET A 8 -18.036 -7.685 -0.256 1.00 1.07 H new ATOM 0 HE1 MET A 8 -21.711 -8.447 0.992 1.00 3.22 H new ATOM 0 HE2 MET A 8 -19.987 -8.368 1.428 1.00 3.22 H new ATOM 0 HE3 MET A 8 -20.948 -6.874 1.326 1.00 3.22 H new ATOM 135 N LYS A 9 -18.862 -3.217 -1.699 1.00 0.49 N ATOM 136 CA LYS A 9 -19.286 -2.568 -2.929 1.00 0.51 C ATOM 137 C LYS A 9 -18.133 -1.775 -3.518 1.00 0.41 C ATOM 138 O LYS A 9 -17.894 -1.831 -4.719 1.00 0.42 O ATOM 139 CB LYS A 9 -20.534 -1.705 -2.691 1.00 0.68 C ATOM 140 CG LYS A 9 -21.705 -2.300 -3.478 1.00 2.20 C ATOM 141 CD LYS A 9 -22.128 -3.683 -2.954 1.00 3.13 C ATOM 142 CE LYS A 9 -22.591 -4.602 -4.095 1.00 4.67 C ATOM 143 NZ LYS A 9 -21.461 -5.116 -4.909 1.00 6.39 N ATOM 0 H LYS A 9 -19.374 -2.929 -0.865 1.00 0.49 H new ATOM 0 HA LYS A 9 -19.570 -3.327 -3.658 1.00 0.51 H new ATOM 0 HB2 LYS A 9 -20.772 -1.672 -1.628 1.00 0.68 H new ATOM 0 HB3 LYS A 9 -20.349 -0.679 -3.008 1.00 0.68 H new ATOM 0 HG2 LYS A 9 -22.555 -1.620 -3.426 1.00 2.20 H new ATOM 0 HG3 LYS A 9 -21.427 -2.383 -4.529 1.00 2.20 H new ATOM 0 HD2 LYS A 9 -21.292 -4.146 -2.430 1.00 3.13 H new ATOM 0 HD3 LYS A 9 -22.934 -3.567 -2.229 1.00 3.13 H new ATOM 0 HE2 LYS A 9 -23.145 -5.443 -3.677 1.00 4.67 H new ATOM 0 HE3 LYS A 9 -23.279 -4.056 -4.740 1.00 4.67 H new ATOM 0 HZ1 LYS A 9 -21.599 -6.130 -5.093 1.00 6.39 H new ATOM 0 HZ2 LYS A 9 -21.422 -4.603 -5.813 1.00 6.39 H new ATOM 0 HZ3 LYS A 9 -20.569 -4.976 -4.393 1.00 6.39 H new ATOM 157 N GLU A 10 -17.401 -1.058 -2.672 1.00 0.37 N ATOM 158 CA GLU A 10 -16.245 -0.315 -3.124 1.00 0.38 C ATOM 159 C GLU A 10 -15.189 -1.237 -3.709 1.00 0.31 C ATOM 160 O GLU A 10 -14.718 -0.966 -4.798 1.00 0.49 O ATOM 161 CB GLU A 10 -15.692 0.514 -1.975 1.00 0.39 C ATOM 162 CG GLU A 10 -16.598 1.740 -1.782 1.00 0.68 C ATOM 163 CD GLU A 10 -15.819 3.023 -1.989 1.00 1.06 C ATOM 164 OE1 GLU A 10 -16.324 3.919 -2.692 1.00 2.20 O ATOM 165 OE2 GLU A 10 -14.757 3.091 -1.334 1.00 2.37 O ATOM 0 H GLU A 10 -17.592 -0.980 -1.673 1.00 0.37 H new ATOM 0 HA GLU A 10 -16.549 0.360 -3.924 1.00 0.38 H new ATOM 0 HB2 GLU A 10 -15.657 -0.080 -1.061 1.00 0.39 H new ATOM 0 HB3 GLU A 10 -14.671 0.827 -2.191 1.00 0.39 H new ATOM 0 HG2 GLU A 10 -17.430 1.697 -2.485 1.00 0.68 H new ATOM 0 HG3 GLU A 10 -17.026 1.727 -0.780 1.00 0.68 H new ATOM 172 N LEU A 11 -14.813 -2.318 -3.028 1.00 0.23 N ATOM 173 CA LEU A 11 -13.802 -3.261 -3.488 1.00 0.25 C ATOM 174 C LEU A 11 -14.131 -3.761 -4.880 1.00 0.28 C ATOM 175 O LEU A 11 -13.266 -3.822 -5.752 1.00 0.27 O ATOM 176 CB LEU A 11 -13.712 -4.447 -2.521 1.00 0.28 C ATOM 177 CG LEU A 11 -12.545 -5.366 -2.919 1.00 0.28 C ATOM 178 CD1 LEU A 11 -11.834 -5.934 -1.692 1.00 0.41 C ATOM 179 CD2 LEU A 11 -13.034 -6.548 -3.768 1.00 0.28 C ATOM 0 H LEU A 11 -15.212 -2.566 -2.123 1.00 0.23 H new ATOM 0 HA LEU A 11 -12.842 -2.747 -3.519 1.00 0.25 H new ATOM 0 HB2 LEU A 11 -13.570 -4.086 -1.503 1.00 0.28 H new ATOM 0 HB3 LEU A 11 -14.647 -5.007 -2.533 1.00 0.28 H new ATOM 0 HG LEU A 11 -11.853 -4.751 -3.494 1.00 0.28 H new ATOM 0 HD11 LEU A 11 -11.015 -6.579 -2.012 1.00 0.41 H new ATOM 0 HD12 LEU A 11 -11.438 -5.116 -1.090 1.00 0.41 H new ATOM 0 HD13 LEU A 11 -12.541 -6.513 -1.098 1.00 0.41 H new ATOM 0 HD21 LEU A 11 -12.187 -7.180 -4.034 1.00 0.28 H new ATOM 0 HD22 LEU A 11 -13.757 -7.131 -3.198 1.00 0.28 H new ATOM 0 HD23 LEU A 11 -13.506 -6.173 -4.676 1.00 0.28 H new ATOM 191 N GLU A 12 -15.388 -4.146 -5.067 1.00 0.33 N ATOM 192 CA GLU A 12 -15.893 -4.585 -6.351 1.00 0.34 C ATOM 193 C GLU A 12 -15.616 -3.498 -7.388 1.00 0.32 C ATOM 194 O GLU A 12 -15.002 -3.777 -8.415 1.00 0.33 O ATOM 195 CB GLU A 12 -17.375 -4.919 -6.186 1.00 0.42 C ATOM 196 CG GLU A 12 -18.022 -5.547 -7.420 1.00 0.55 C ATOM 197 CD GLU A 12 -19.475 -5.866 -7.053 1.00 1.10 C ATOM 198 OE1 GLU A 12 -19.724 -6.912 -6.416 1.00 1.51 O ATOM 199 OE2 GLU A 12 -20.344 -4.987 -7.244 1.00 2.71 O ATOM 0 H GLU A 12 -16.086 -4.160 -4.323 1.00 0.33 H new ATOM 0 HA GLU A 12 -15.395 -5.486 -6.709 1.00 0.34 H new ATOM 0 HB2 GLU A 12 -17.490 -5.601 -5.344 1.00 0.42 H new ATOM 0 HB3 GLU A 12 -17.915 -4.006 -5.933 1.00 0.42 H new ATOM 0 HG2 GLU A 12 -17.980 -4.863 -8.267 1.00 0.55 H new ATOM 0 HG3 GLU A 12 -17.491 -6.452 -7.715 1.00 0.55 H new ATOM 206 N GLU A 13 -16.002 -2.255 -7.093 1.00 0.30 N ATOM 207 CA GLU A 13 -15.746 -1.109 -7.958 1.00 0.31 C ATOM 208 C GLU A 13 -14.252 -0.885 -8.193 1.00 0.25 C ATOM 209 O GLU A 13 -13.863 -0.474 -9.277 1.00 0.30 O ATOM 210 CB GLU A 13 -16.390 0.169 -7.393 1.00 0.37 C ATOM 211 CG GLU A 13 -17.564 0.634 -8.263 1.00 0.73 C ATOM 212 CD GLU A 13 -17.109 1.018 -9.675 1.00 2.46 C ATOM 213 OE1 GLU A 13 -16.774 2.206 -9.869 1.00 3.35 O ATOM 214 OE2 GLU A 13 -17.107 0.110 -10.539 1.00 3.51 O ATOM 0 H GLU A 13 -16.505 -2.017 -6.238 1.00 0.30 H new ATOM 0 HA GLU A 13 -16.203 -1.337 -8.921 1.00 0.31 H new ATOM 0 HB2 GLU A 13 -16.739 -0.016 -6.377 1.00 0.37 H new ATOM 0 HB3 GLU A 13 -15.642 0.960 -7.335 1.00 0.37 H new ATOM 0 HG2 GLU A 13 -18.308 -0.160 -8.324 1.00 0.73 H new ATOM 0 HG3 GLU A 13 -18.049 1.489 -7.792 1.00 0.73 H new ATOM 221 N ILE A 14 -13.392 -1.142 -7.209 1.00 0.23 N ATOM 222 CA ILE A 14 -11.960 -0.929 -7.341 1.00 0.20 C ATOM 223 C ILE A 14 -11.452 -1.860 -8.423 1.00 0.23 C ATOM 224 O ILE A 14 -10.861 -1.425 -9.413 1.00 0.26 O ATOM 225 CB ILE A 14 -11.248 -1.099 -5.979 1.00 0.19 C ATOM 226 CG1 ILE A 14 -11.562 0.131 -5.111 1.00 0.26 C ATOM 227 CG2 ILE A 14 -9.725 -1.213 -6.157 1.00 0.30 C ATOM 228 CD1 ILE A 14 -10.803 0.101 -3.785 1.00 0.20 C ATOM 0 H ILE A 14 -13.673 -1.504 -6.298 1.00 0.23 H new ATOM 0 HA ILE A 14 -11.738 0.094 -7.644 1.00 0.20 H new ATOM 0 HB ILE A 14 -11.605 -2.014 -5.506 1.00 0.19 H new ATOM 0 HG12 ILE A 14 -11.302 1.037 -5.658 1.00 0.26 H new ATOM 0 HG13 ILE A 14 -12.633 0.173 -4.915 1.00 0.26 H new ATOM 0 HG21 ILE A 14 -9.253 -1.332 -5.182 1.00 0.30 H new ATOM 0 HG22 ILE A 14 -9.495 -2.078 -6.779 1.00 0.30 H new ATOM 0 HG23 ILE A 14 -9.346 -0.310 -6.636 1.00 0.30 H new ATOM 0 HD11 ILE A 14 -11.053 0.988 -3.202 1.00 0.20 H new ATOM 0 HD12 ILE A 14 -11.083 -0.792 -3.226 1.00 0.20 H new ATOM 0 HD13 ILE A 14 -9.731 0.086 -3.980 1.00 0.20 H new ATOM 240 N ARG A 15 -11.707 -3.156 -8.262 1.00 0.26 N ATOM 241 CA ARG A 15 -11.289 -4.124 -9.255 1.00 0.31 C ATOM 242 C ARG A 15 -11.848 -3.738 -10.625 1.00 0.31 C ATOM 243 O ARG A 15 -11.114 -3.774 -11.613 1.00 0.36 O ATOM 244 CB ARG A 15 -11.741 -5.519 -8.828 1.00 0.39 C ATOM 245 CG ARG A 15 -11.163 -6.546 -9.801 1.00 1.66 C ATOM 246 CD ARG A 15 -11.790 -7.914 -9.580 1.00 1.77 C ATOM 247 NE ARG A 15 -11.496 -8.786 -10.729 1.00 2.11 N ATOM 248 CZ ARG A 15 -11.746 -10.097 -10.819 1.00 2.20 C ATOM 249 NH1 ARG A 15 -11.513 -10.737 -11.965 1.00 2.83 N ATOM 250 NH2 ARG A 15 -12.235 -10.759 -9.771 1.00 2.12 N ATOM 0 H ARG A 15 -12.197 -3.551 -7.459 1.00 0.26 H new ATOM 0 HA ARG A 15 -10.202 -4.132 -9.334 1.00 0.31 H new ATOM 0 HB2 ARG A 15 -11.404 -5.730 -7.813 1.00 0.39 H new ATOM 0 HB3 ARG A 15 -12.829 -5.577 -8.821 1.00 0.39 H new ATOM 0 HG2 ARG A 15 -11.340 -6.222 -10.826 1.00 1.66 H new ATOM 0 HG3 ARG A 15 -10.083 -6.611 -9.669 1.00 1.66 H new ATOM 0 HD2 ARG A 15 -11.401 -8.359 -8.664 1.00 1.77 H new ATOM 0 HD3 ARG A 15 -12.868 -7.814 -9.453 1.00 1.77 H new ATOM 0 HE ARG A 15 -11.057 -8.346 -11.538 1.00 2.11 H new ATOM 0 HH11 ARG A 15 -11.146 -10.227 -12.768 1.00 2.83 H new ATOM 0 HH12 ARG A 15 -11.702 -11.737 -12.038 1.00 2.83 H new ATOM 0 HH21 ARG A 15 -12.420 -10.266 -8.897 1.00 2.12 H new ATOM 0 HH22 ARG A 15 -12.425 -11.759 -9.843 1.00 2.12 H new ATOM 264 N LYS A 16 -13.146 -3.416 -10.683 1.00 0.28 N ATOM 265 CA LYS A 16 -13.847 -3.088 -11.921 1.00 0.32 C ATOM 266 C LYS A 16 -13.234 -1.857 -12.590 1.00 0.34 C ATOM 267 O LYS A 16 -13.202 -1.796 -13.815 1.00 0.37 O ATOM 268 CB LYS A 16 -15.354 -2.883 -11.683 1.00 0.36 C ATOM 269 CG LYS A 16 -16.151 -4.167 -11.960 1.00 0.53 C ATOM 270 CD LYS A 16 -15.963 -5.240 -10.883 1.00 1.21 C ATOM 271 CE LYS A 16 -16.575 -6.579 -11.303 1.00 1.60 C ATOM 272 NZ LYS A 16 -15.808 -7.217 -12.395 1.00 2.49 N ATOM 0 H LYS A 16 -13.743 -3.377 -9.857 1.00 0.28 H new ATOM 0 HA LYS A 16 -13.730 -3.938 -12.594 1.00 0.32 H new ATOM 0 HB2 LYS A 16 -15.520 -2.566 -10.653 1.00 0.36 H new ATOM 0 HB3 LYS A 16 -15.719 -2.082 -12.326 1.00 0.36 H new ATOM 0 HG2 LYS A 16 -17.210 -3.920 -12.036 1.00 0.53 H new ATOM 0 HG3 LYS A 16 -15.848 -4.573 -12.925 1.00 0.53 H new ATOM 0 HD2 LYS A 16 -14.900 -5.373 -10.684 1.00 1.21 H new ATOM 0 HD3 LYS A 16 -16.422 -4.906 -9.953 1.00 1.21 H new ATOM 0 HE2 LYS A 16 -16.608 -7.248 -10.443 1.00 1.60 H new ATOM 0 HE3 LYS A 16 -17.604 -6.423 -11.626 1.00 1.60 H new ATOM 0 HZ1 LYS A 16 -16.113 -8.206 -12.502 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -15.978 -6.704 -13.284 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -14.793 -7.190 -12.168 1.00 2.49 H new ATOM 286 N CYS A 17 -12.745 -0.899 -11.804 1.00 0.34 N ATOM 287 CA CYS A 17 -12.165 0.341 -12.290 1.00 0.39 C ATOM 288 C CYS A 17 -10.927 0.000 -13.111 1.00 0.38 C ATOM 289 O CYS A 17 -10.730 0.522 -14.206 1.00 0.56 O ATOM 290 CB CYS A 17 -11.832 1.236 -11.087 1.00 0.43 C ATOM 291 SG CYS A 17 -11.230 2.858 -11.631 1.00 0.77 S ATOM 0 H CYS A 17 -12.744 -0.971 -10.787 1.00 0.34 H new ATOM 0 HA CYS A 17 -12.860 0.887 -12.929 1.00 0.39 H new ATOM 0 HB2 CYS A 17 -12.719 1.363 -10.467 1.00 0.43 H new ATOM 0 HB3 CYS A 17 -11.076 0.753 -10.468 1.00 0.43 H new ATOM 0 HG CYS A 17 -10.959 3.591 -10.592 1.00 0.77 H new ATOM 297 N GLY A 18 -10.101 -0.912 -12.595 1.00 0.35 N ATOM 298 CA GLY A 18 -9.010 -1.463 -13.371 1.00 0.34 C ATOM 299 C GLY A 18 -7.901 -1.927 -12.448 1.00 0.30 C ATOM 300 O GLY A 18 -6.985 -1.161 -12.164 1.00 0.31 O ATOM 0 H GLY A 18 -10.174 -1.278 -11.646 1.00 0.35 H new ATOM 0 HA2 GLY A 18 -9.367 -2.299 -13.973 1.00 0.34 H new ATOM 0 HA3 GLY A 18 -8.629 -0.712 -14.062 1.00 0.34 H new ATOM 304 N MET A 19 -7.978 -3.178 -11.989 1.00 0.29 N ATOM 305 CA MET A 19 -6.938 -3.792 -11.167 1.00 0.28 C ATOM 306 C MET A 19 -5.598 -3.903 -11.903 1.00 0.30 C ATOM 307 O MET A 19 -5.266 -4.944 -12.468 1.00 0.34 O ATOM 308 CB MET A 19 -7.404 -5.150 -10.640 1.00 0.33 C ATOM 309 CG MET A 19 -7.967 -6.097 -11.705 1.00 0.72 C ATOM 310 SD MET A 19 -8.023 -7.828 -11.162 1.00 1.31 S ATOM 311 CE MET A 19 -7.911 -8.634 -12.777 1.00 1.98 C ATOM 0 H MET A 19 -8.768 -3.795 -12.179 1.00 0.29 H new ATOM 0 HA MET A 19 -6.764 -3.134 -10.316 1.00 0.28 H new ATOM 0 HB2 MET A 19 -6.564 -5.640 -10.147 1.00 0.33 H new ATOM 0 HB3 MET A 19 -8.168 -4.986 -9.880 1.00 0.33 H new ATOM 0 HG2 MET A 19 -8.973 -5.774 -11.974 1.00 0.72 H new ATOM 0 HG3 MET A 19 -7.357 -6.025 -12.606 1.00 0.72 H new ATOM 0 HE1 MET A 19 -7.931 -9.716 -12.646 1.00 1.98 H new ATOM 0 HE2 MET A 19 -8.755 -8.328 -13.396 1.00 1.98 H new ATOM 0 HE3 MET A 19 -6.980 -8.344 -13.264 1.00 1.98 H new ATOM 321 N LYS A 20 -4.841 -2.807 -11.926 1.00 0.30 N ATOM 322 CA LYS A 20 -3.555 -2.704 -12.600 1.00 0.33 C ATOM 323 C LYS A 20 -2.435 -2.612 -11.573 1.00 0.31 C ATOM 324 O LYS A 20 -1.836 -3.619 -11.209 1.00 0.38 O ATOM 325 CB LYS A 20 -3.627 -1.550 -13.610 1.00 0.37 C ATOM 326 CG LYS A 20 -3.246 -2.006 -15.017 1.00 1.06 C ATOM 327 CD LYS A 20 -3.898 -1.032 -15.992 1.00 1.58 C ATOM 328 CE LYS A 20 -3.197 -1.100 -17.352 1.00 1.76 C ATOM 329 NZ LYS A 20 -3.695 -0.058 -18.275 1.00 2.55 N ATOM 0 H LYS A 20 -5.117 -1.942 -11.461 1.00 0.30 H new ATOM 0 HA LYS A 20 -3.320 -3.598 -13.178 1.00 0.33 H new ATOM 0 HB2 LYS A 20 -4.636 -1.139 -13.622 1.00 0.37 H new ATOM 0 HB3 LYS A 20 -2.960 -0.748 -13.294 1.00 0.37 H new ATOM 0 HG2 LYS A 20 -2.163 -2.010 -15.141 1.00 1.06 H new ATOM 0 HG3 LYS A 20 -3.591 -3.024 -15.199 1.00 1.06 H new ATOM 0 HD2 LYS A 20 -4.955 -1.273 -16.107 1.00 1.58 H new ATOM 0 HD3 LYS A 20 -3.843 -0.018 -15.596 1.00 1.58 H new ATOM 0 HE2 LYS A 20 -2.122 -0.981 -17.214 1.00 1.76 H new ATOM 0 HE3 LYS A 20 -3.355 -2.084 -17.794 1.00 1.76 H new ATOM 0 HZ1 LYS A 20 -3.198 -0.134 -19.185 1.00 2.55 H new ATOM 0 HZ2 LYS A 20 -4.716 -0.187 -18.426 1.00 2.55 H new ATOM 0 HZ3 LYS A 20 -3.522 0.881 -17.864 1.00 2.55 H new ATOM 343 N ASN A 21 -2.211 -1.408 -11.035 1.00 0.34 N ATOM 344 CA ASN A 21 -1.242 -1.198 -9.963 1.00 0.29 C ATOM 345 C ASN A 21 -1.700 -1.868 -8.668 1.00 0.23 C ATOM 346 O ASN A 21 -0.959 -1.923 -7.694 1.00 0.20 O ATOM 347 CB ASN A 21 -1.024 0.292 -9.683 1.00 0.36 C ATOM 348 CG ASN A 21 0.076 0.934 -10.529 1.00 0.72 C ATOM 349 OD1 ASN A 21 1.161 1.217 -10.033 1.00 2.38 O ATOM 350 ND2 ASN A 21 -0.189 1.225 -11.793 1.00 1.12 N ATOM 0 H ASN A 21 -2.694 -0.560 -11.330 1.00 0.34 H new ATOM 0 HA ASN A 21 -0.306 -1.643 -10.300 1.00 0.29 H new ATOM 0 HB2 ASN A 21 -1.959 0.824 -9.859 1.00 0.36 H new ATOM 0 HB3 ASN A 21 -0.778 0.420 -8.629 1.00 0.36 H new ATOM 0 HD21 ASN A 21 0.514 1.690 -12.367 1.00 1.12 H new ATOM 0 HD22 ASN A 21 -1.096 0.984 -12.193 1.00 1.12 H new ATOM 357 N PHE A 22 -2.932 -2.365 -8.620 1.00 0.31 N ATOM 358 CA PHE A 22 -3.474 -3.078 -7.490 1.00 0.26 C ATOM 359 C PHE A 22 -4.081 -4.343 -8.070 1.00 0.33 C ATOM 360 O PHE A 22 -4.934 -4.270 -8.950 1.00 0.57 O ATOM 361 CB PHE A 22 -4.482 -2.187 -6.758 1.00 0.19 C ATOM 362 CG PHE A 22 -5.453 -1.426 -7.643 1.00 0.22 C ATOM 363 CD1 PHE A 22 -6.711 -1.971 -7.945 1.00 0.24 C ATOM 364 CD2 PHE A 22 -5.091 -0.175 -8.175 1.00 0.31 C ATOM 365 CE1 PHE A 22 -7.592 -1.272 -8.787 1.00 0.29 C ATOM 366 CE2 PHE A 22 -5.974 0.526 -9.012 1.00 0.39 C ATOM 367 CZ PHE A 22 -7.229 -0.025 -9.319 1.00 0.36 C ATOM 0 H PHE A 22 -3.592 -2.275 -9.393 1.00 0.31 H new ATOM 0 HA PHE A 22 -2.730 -3.343 -6.739 1.00 0.26 H new ATOM 0 HB2 PHE A 22 -5.056 -2.808 -6.071 1.00 0.19 H new ATOM 0 HB3 PHE A 22 -3.931 -1.468 -6.153 1.00 0.19 H new ATOM 0 HD1 PHE A 22 -7.001 -2.925 -7.531 1.00 0.24 H new ATOM 0 HD2 PHE A 22 -4.127 0.249 -7.938 1.00 0.31 H new ATOM 0 HE1 PHE A 22 -8.555 -1.697 -9.027 1.00 0.29 H new ATOM 0 HE2 PHE A 22 -5.689 1.485 -9.418 1.00 0.39 H new ATOM 0 HZ PHE A 22 -7.912 0.509 -9.962 1.00 0.36 H new ATOM 377 N ARG A 23 -3.601 -5.501 -7.624 1.00 0.23 N ATOM 378 CA ARG A 23 -4.027 -6.809 -8.103 1.00 0.29 C ATOM 379 C ARG A 23 -4.022 -7.732 -6.901 1.00 0.28 C ATOM 380 O ARG A 23 -3.670 -7.330 -5.796 1.00 0.28 O ATOM 381 CB ARG A 23 -3.057 -7.338 -9.180 1.00 0.42 C ATOM 382 CG ARG A 23 -3.465 -7.035 -10.634 1.00 0.83 C ATOM 383 CD ARG A 23 -4.026 -8.277 -11.357 1.00 1.25 C ATOM 384 NE ARG A 23 -3.479 -8.453 -12.718 1.00 2.13 N ATOM 385 CZ ARG A 23 -3.468 -9.608 -13.399 1.00 2.58 C ATOM 386 NH1 ARG A 23 -2.929 -9.668 -14.610 1.00 3.87 N ATOM 387 NH2 ARG A 23 -3.995 -10.716 -12.873 1.00 2.42 N ATOM 0 H ARG A 23 -2.885 -5.555 -6.899 1.00 0.23 H new ATOM 0 HA ARG A 23 -5.016 -6.751 -8.557 1.00 0.29 H new ATOM 0 HB2 ARG A 23 -2.071 -6.911 -8.999 1.00 0.42 H new ATOM 0 HB3 ARG A 23 -2.963 -8.418 -9.063 1.00 0.42 H new ATOM 0 HG2 ARG A 23 -4.215 -6.244 -10.641 1.00 0.83 H new ATOM 0 HG3 ARG A 23 -2.600 -6.659 -11.181 1.00 0.83 H new ATOM 0 HD2 ARG A 23 -3.804 -9.165 -10.765 1.00 1.25 H new ATOM 0 HD3 ARG A 23 -5.111 -8.196 -11.416 1.00 1.25 H new ATOM 0 HE ARG A 23 -3.079 -7.633 -13.175 1.00 2.13 H new ATOM 0 HH11 ARG A 23 -2.520 -8.832 -15.028 1.00 3.87 H new ATOM 0 HH12 ARG A 23 -2.924 -10.550 -15.123 1.00 3.87 H new ATOM 0 HH21 ARG A 23 -4.412 -10.690 -11.943 1.00 2.42 H new ATOM 0 HH22 ARG A 23 -3.980 -11.588 -13.401 1.00 2.42 H new ATOM 401 N ASN A 24 -4.426 -8.984 -7.113 1.00 0.31 N ATOM 402 CA ASN A 24 -4.640 -9.921 -6.026 1.00 0.29 C ATOM 403 C ASN A 24 -5.493 -9.260 -4.944 1.00 0.31 C ATOM 404 O ASN A 24 -5.235 -9.437 -3.763 1.00 0.44 O ATOM 405 CB ASN A 24 -3.289 -10.434 -5.503 1.00 0.30 C ATOM 406 CG ASN A 24 -3.400 -11.801 -4.844 1.00 0.40 C ATOM 407 OD1 ASN A 24 -3.086 -12.811 -5.459 1.00 1.37 O ATOM 408 ND2 ASN A 24 -3.832 -11.856 -3.597 1.00 1.31 N ATOM 0 H ASN A 24 -4.611 -9.369 -8.039 1.00 0.31 H new ATOM 0 HA ASN A 24 -5.189 -10.794 -6.377 1.00 0.29 H new ATOM 0 HB2 ASN A 24 -2.580 -10.489 -6.329 1.00 0.30 H new ATOM 0 HB3 ASN A 24 -2.886 -9.720 -4.785 1.00 0.30 H new ATOM 0 HD21 ASN A 24 -3.910 -12.756 -3.124 1.00 1.31 H new ATOM 0 HD22 ASN A 24 -4.087 -10.998 -3.107 1.00 1.31 H new ATOM 415 N ILE A 25 -6.490 -8.463 -5.338 1.00 0.26 N ATOM 416 CA ILE A 25 -7.433 -7.895 -4.390 1.00 0.28 C ATOM 417 C ILE A 25 -8.202 -9.088 -3.832 1.00 0.28 C ATOM 418 O ILE A 25 -8.837 -9.818 -4.593 1.00 0.26 O ATOM 419 CB ILE A 25 -8.320 -6.832 -5.089 1.00 0.28 C ATOM 420 CG1 ILE A 25 -7.858 -5.418 -4.679 1.00 0.27 C ATOM 421 CG2 ILE A 25 -9.815 -6.978 -4.781 1.00 0.35 C ATOM 422 CD1 ILE A 25 -8.618 -4.306 -5.395 1.00 0.30 C ATOM 0 H ILE A 25 -6.659 -8.201 -6.309 1.00 0.26 H new ATOM 0 HA ILE A 25 -6.959 -7.353 -3.571 1.00 0.28 H new ATOM 0 HB ILE A 25 -8.199 -6.991 -6.161 1.00 0.28 H new ATOM 0 HG12 ILE A 25 -7.983 -5.300 -3.603 1.00 0.27 H new ATOM 0 HG13 ILE A 25 -6.793 -5.315 -4.889 1.00 0.27 H new ATOM 0 HG21 ILE A 25 -10.372 -6.201 -5.304 1.00 0.35 H new ATOM 0 HG22 ILE A 25 -10.161 -7.957 -5.112 1.00 0.35 H new ATOM 0 HG23 ILE A 25 -9.977 -6.880 -3.708 1.00 0.35 H new ATOM 0 HD11 ILE A 25 -8.245 -3.337 -5.062 1.00 0.30 H new ATOM 0 HD12 ILE A 25 -8.472 -4.400 -6.471 1.00 0.30 H new ATOM 0 HD13 ILE A 25 -9.680 -4.384 -5.164 1.00 0.30 H new ATOM 434 N GLN A 26 -8.122 -9.310 -2.522 1.00 0.35 N ATOM 435 CA GLN A 26 -8.890 -10.338 -1.846 1.00 0.39 C ATOM 436 C GLN A 26 -9.419 -9.732 -0.556 1.00 0.45 C ATOM 437 O GLN A 26 -8.933 -8.702 -0.081 1.00 0.47 O ATOM 438 CB GLN A 26 -8.065 -11.606 -1.571 1.00 0.47 C ATOM 439 CG GLN A 26 -7.026 -11.875 -2.658 1.00 0.43 C ATOM 440 CD GLN A 26 -6.490 -13.297 -2.608 1.00 0.55 C ATOM 441 OE1 GLN A 26 -6.759 -14.109 -3.482 1.00 1.65 O ATOM 442 NE2 GLN A 26 -5.697 -13.626 -1.597 1.00 1.56 N ATOM 0 H GLN A 26 -7.516 -8.774 -1.900 1.00 0.35 H new ATOM 0 HA GLN A 26 -9.710 -10.661 -2.487 1.00 0.39 H new ATOM 0 HB2 GLN A 26 -7.562 -11.507 -0.609 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -8.735 -12.462 -1.494 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -7.471 -11.692 -3.636 1.00 0.43 H new ATOM 0 HG3 GLN A 26 -6.199 -11.174 -2.548 1.00 0.43 H new ATOM 0 HE21 GLN A 26 -5.480 -12.939 -0.874 1.00 1.56 H new ATOM 0 HE22 GLN A 26 -5.304 -14.566 -1.542 1.00 1.56 H new ATOM 451 N VAL A 27 -10.425 -10.376 0.015 1.00 0.54 N ATOM 452 CA VAL A 27 -11.049 -9.942 1.244 1.00 0.64 C ATOM 453 C VAL A 27 -11.371 -11.225 1.999 1.00 0.86 C ATOM 454 O VAL A 27 -11.604 -12.252 1.361 1.00 1.08 O ATOM 455 CB VAL A 27 -12.253 -9.059 0.874 1.00 0.56 C ATOM 456 CG1 VAL A 27 -13.519 -9.846 0.520 1.00 0.82 C ATOM 457 CG2 VAL A 27 -12.537 -8.048 1.974 1.00 0.74 C ATOM 0 H VAL A 27 -10.833 -11.227 -0.372 1.00 0.54 H new ATOM 0 HA VAL A 27 -10.434 -9.320 1.895 1.00 0.64 H new ATOM 0 HB VAL A 27 -11.967 -8.533 -0.037 1.00 0.56 H new ATOM 0 HG11 VAL A 27 -14.321 -9.152 0.271 1.00 0.82 H new ATOM 0 HG12 VAL A 27 -13.319 -10.491 -0.336 1.00 0.82 H new ATOM 0 HG13 VAL A 27 -13.818 -10.456 1.372 1.00 0.82 H new ATOM 0 HG21 VAL A 27 -13.392 -7.434 1.692 1.00 0.74 H new ATOM 0 HG22 VAL A 27 -12.758 -8.574 2.903 1.00 0.74 H new ATOM 0 HG23 VAL A 27 -11.664 -7.411 2.117 1.00 0.74 H new ATOM 467 N ASP A 28 -11.302 -11.222 3.328 1.00 0.85 N ATOM 468 CA ASP A 28 -11.682 -12.427 4.055 1.00 0.97 C ATOM 469 C ASP A 28 -13.208 -12.539 4.073 1.00 0.91 C ATOM 470 O ASP A 28 -13.903 -11.555 3.842 1.00 0.79 O ATOM 471 CB ASP A 28 -11.095 -12.395 5.462 1.00 1.00 C ATOM 472 CG ASP A 28 -11.194 -13.771 6.103 1.00 1.16 C ATOM 473 OD1 ASP A 28 -12.216 -14.014 6.786 1.00 1.31 O ATOM 474 OD2 ASP A 28 -10.273 -14.575 5.857 1.00 1.86 O ATOM 0 H ASP A 28 -11.000 -10.435 3.902 1.00 0.85 H new ATOM 0 HA ASP A 28 -11.281 -13.310 3.558 1.00 0.97 H new ATOM 0 HB2 ASP A 28 -10.053 -12.078 5.422 1.00 1.00 H new ATOM 0 HB3 ASP A 28 -11.627 -11.663 6.070 1.00 1.00 H new ATOM 479 N GLU A 29 -13.747 -13.729 4.328 1.00 1.05 N ATOM 480 CA GLU A 29 -15.188 -13.932 4.404 1.00 1.07 C ATOM 481 C GLU A 29 -15.697 -13.403 5.743 1.00 0.93 C ATOM 482 O GLU A 29 -16.645 -12.624 5.810 1.00 0.89 O ATOM 483 CB GLU A 29 -15.484 -15.434 4.284 1.00 1.41 C ATOM 484 CG GLU A 29 -15.301 -15.946 2.849 1.00 2.16 C ATOM 485 CD GLU A 29 -16.576 -15.784 2.019 1.00 2.59 C ATOM 486 OE1 GLU A 29 -17.181 -14.694 2.101 1.00 3.35 O ATOM 487 OE2 GLU A 29 -16.933 -16.760 1.321 1.00 3.20 O ATOM 0 H GLU A 29 -13.199 -14.574 4.487 1.00 1.05 H new ATOM 0 HA GLU A 29 -15.689 -13.399 3.596 1.00 1.07 H new ATOM 0 HB2 GLU A 29 -14.825 -15.987 4.953 1.00 1.41 H new ATOM 0 HB3 GLU A 29 -16.506 -15.629 4.610 1.00 1.41 H new ATOM 0 HG2 GLU A 29 -14.485 -15.403 2.371 1.00 2.16 H new ATOM 0 HG3 GLU A 29 -15.014 -16.997 2.872 1.00 2.16 H new ATOM 494 N ALA A 30 -15.069 -13.847 6.831 1.00 0.90 N ATOM 495 CA ALA A 30 -15.434 -13.424 8.170 1.00 0.83 C ATOM 496 C ALA A 30 -14.897 -12.019 8.399 1.00 0.61 C ATOM 497 O ALA A 30 -15.642 -11.092 8.719 1.00 0.54 O ATOM 498 CB ALA A 30 -14.863 -14.405 9.198 1.00 0.95 C ATOM 0 H ALA A 30 -14.294 -14.510 6.802 1.00 0.90 H new ATOM 0 HA ALA A 30 -16.518 -13.414 8.282 1.00 0.83 H new ATOM 0 HB1 ALA A 30 -15.140 -14.083 10.202 1.00 0.95 H new ATOM 0 HB2 ALA A 30 -15.265 -15.401 9.013 1.00 0.95 H new ATOM 0 HB3 ALA A 30 -13.777 -14.431 9.112 1.00 0.95 H new ATOM 504 N ASN A 31 -13.588 -11.844 8.236 1.00 0.59 N ATOM 505 CA ASN A 31 -12.948 -10.558 8.448 1.00 0.47 C ATOM 506 C ASN A 31 -12.995 -9.744 7.155 1.00 0.38 C ATOM 507 O ASN A 31 -11.973 -9.232 6.710 1.00 0.35 O ATOM 508 CB ASN A 31 -11.511 -10.780 8.942 1.00 0.68 C ATOM 509 CG ASN A 31 -10.974 -9.549 9.661 1.00 1.62 C ATOM 510 OD1 ASN A 31 -11.394 -8.419 9.422 1.00 2.59 O ATOM 511 ND2 ASN A 31 -10.047 -9.753 10.588 1.00 2.16 N ATOM 0 H ASN A 31 -12.949 -12.587 7.955 1.00 0.59 H new ATOM 0 HA ASN A 31 -13.478 -9.990 9.213 1.00 0.47 H new ATOM 0 HB2 ASN A 31 -11.484 -11.637 9.615 1.00 0.68 H new ATOM 0 HB3 ASN A 31 -10.867 -11.019 8.096 1.00 0.68 H new ATOM 0 HD21 ASN A 31 -9.671 -8.965 11.116 1.00 2.16 H new ATOM 0 HD22 ASN A 31 -9.710 -10.698 10.773 1.00 2.16 H new ATOM 518 N LEU A 32 -14.175 -9.620 6.535 1.00 0.34 N ATOM 519 CA LEU A 32 -14.307 -8.924 5.253 1.00 0.29 C ATOM 520 C LEU A 32 -14.014 -7.428 5.398 1.00 0.23 C ATOM 521 O LEU A 32 -13.715 -6.724 4.438 1.00 0.27 O ATOM 522 CB LEU A 32 -15.667 -9.252 4.601 1.00 0.40 C ATOM 523 CG LEU A 32 -16.728 -8.138 4.572 1.00 0.35 C ATOM 524 CD1 LEU A 32 -16.486 -7.115 3.450 1.00 0.52 C ATOM 525 CD2 LEU A 32 -18.098 -8.788 4.347 1.00 0.47 C ATOM 0 H LEU A 32 -15.051 -9.993 6.902 1.00 0.34 H new ATOM 0 HA LEU A 32 -13.549 -9.290 4.561 1.00 0.29 H new ATOM 0 HB2 LEU A 32 -15.481 -9.566 3.574 1.00 0.40 H new ATOM 0 HB3 LEU A 32 -16.093 -10.108 5.124 1.00 0.40 H new ATOM 0 HG LEU A 32 -16.676 -7.604 5.521 1.00 0.35 H new ATOM 0 HD11 LEU A 32 -17.265 -6.353 3.478 1.00 0.52 H new ATOM 0 HD12 LEU A 32 -15.513 -6.644 3.590 1.00 0.52 H new ATOM 0 HD13 LEU A 32 -16.508 -7.621 2.485 1.00 0.52 H new ATOM 0 HD21 LEU A 32 -18.867 -8.016 4.323 1.00 0.47 H new ATOM 0 HD22 LEU A 32 -18.094 -9.326 3.399 1.00 0.47 H new ATOM 0 HD23 LEU A 32 -18.308 -9.484 5.159 1.00 0.47 H new ATOM 537 N LEU A 33 -14.093 -6.935 6.631 1.00 0.23 N ATOM 538 CA LEU A 33 -13.648 -5.610 7.017 1.00 0.26 C ATOM 539 C LEU A 33 -12.169 -5.401 6.675 1.00 0.34 C ATOM 540 O LEU A 33 -11.783 -4.323 6.226 1.00 0.67 O ATOM 541 CB LEU A 33 -13.937 -5.460 8.516 1.00 0.30 C ATOM 542 CG LEU A 33 -15.439 -5.286 8.788 1.00 0.32 C ATOM 543 CD1 LEU A 33 -15.692 -5.266 10.290 1.00 0.36 C ATOM 544 CD2 LEU A 33 -15.984 -3.976 8.217 1.00 0.43 C ATOM 0 H LEU A 33 -14.481 -7.468 7.409 1.00 0.23 H new ATOM 0 HA LEU A 33 -14.182 -4.838 6.463 1.00 0.26 H new ATOM 0 HB2 LEU A 33 -13.570 -6.338 9.048 1.00 0.30 H new ATOM 0 HB3 LEU A 33 -13.394 -4.600 8.908 1.00 0.30 H new ATOM 0 HG LEU A 33 -15.943 -6.123 8.306 1.00 0.32 H new ATOM 0 HD11 LEU A 33 -16.759 -5.142 10.478 1.00 0.36 H new ATOM 0 HD12 LEU A 33 -15.353 -6.204 10.729 1.00 0.36 H new ATOM 0 HD13 LEU A 33 -15.146 -4.437 10.740 1.00 0.36 H new ATOM 0 HD21 LEU A 33 -17.049 -3.899 8.435 1.00 0.43 H new ATOM 0 HD22 LEU A 33 -15.459 -3.135 8.671 1.00 0.43 H new ATOM 0 HD23 LEU A 33 -15.832 -3.959 7.138 1.00 0.43 H new ATOM 556 N THR A 34 -11.325 -6.412 6.876 1.00 0.32 N ATOM 557 CA THR A 34 -9.926 -6.342 6.490 1.00 0.30 C ATOM 558 C THR A 34 -9.728 -6.813 5.049 1.00 0.27 C ATOM 559 O THR A 34 -10.397 -7.721 4.557 1.00 0.29 O ATOM 560 CB THR A 34 -9.091 -7.166 7.473 1.00 0.37 C ATOM 561 OG1 THR A 34 -9.265 -6.630 8.768 1.00 0.56 O ATOM 562 CG2 THR A 34 -7.599 -7.104 7.153 1.00 0.29 C ATOM 0 H THR A 34 -11.594 -7.295 7.309 1.00 0.32 H new ATOM 0 HA THR A 34 -9.592 -5.305 6.530 1.00 0.30 H new ATOM 0 HB THR A 34 -9.424 -8.202 7.403 1.00 0.37 H new ATOM 0 HG1 THR A 34 -9.989 -7.107 9.225 1.00 0.56 H new ATOM 0 HG21 THR A 34 -7.046 -7.703 7.877 1.00 0.29 H new ATOM 0 HG22 THR A 34 -7.425 -7.495 6.150 1.00 0.29 H new ATOM 0 HG23 THR A 34 -7.259 -6.070 7.203 1.00 0.29 H new ATOM 570 N TRP A 35 -8.770 -6.183 4.373 1.00 0.22 N ATOM 571 CA TRP A 35 -8.457 -6.416 2.972 1.00 0.18 C ATOM 572 C TRP A 35 -7.036 -6.944 2.869 1.00 0.19 C ATOM 573 O TRP A 35 -6.196 -6.636 3.714 1.00 0.20 O ATOM 574 CB TRP A 35 -8.517 -5.108 2.189 1.00 0.15 C ATOM 575 CG TRP A 35 -9.819 -4.382 2.120 1.00 0.18 C ATOM 576 CD1 TRP A 35 -10.675 -4.143 3.137 1.00 0.27 C ATOM 577 CD2 TRP A 35 -10.389 -3.715 0.961 1.00 0.18 C ATOM 578 NE1 TRP A 35 -11.757 -3.431 2.678 1.00 0.31 N ATOM 579 CE2 TRP A 35 -11.621 -3.111 1.342 1.00 0.26 C ATOM 580 CE3 TRP A 35 -9.955 -3.537 -0.368 1.00 0.20 C ATOM 581 CZ2 TRP A 35 -12.383 -2.357 0.439 1.00 0.29 C ATOM 582 CZ3 TRP A 35 -10.718 -2.796 -1.284 1.00 0.22 C ATOM 583 CH2 TRP A 35 -11.923 -2.196 -0.878 1.00 0.25 C ATOM 0 H TRP A 35 -8.174 -5.475 4.802 1.00 0.22 H new ATOM 0 HA TRP A 35 -9.178 -7.126 2.567 1.00 0.18 H new ATOM 0 HB2 TRP A 35 -7.781 -4.429 2.619 1.00 0.15 H new ATOM 0 HB3 TRP A 35 -8.199 -5.317 1.168 1.00 0.15 H new ATOM 0 HD1 TRP A 35 -10.531 -4.464 4.158 1.00 0.27 H new ATOM 0 HE1 TRP A 35 -12.559 -3.172 3.252 1.00 0.31 H new ATOM 0 HE3 TRP A 35 -9.022 -3.977 -0.686 1.00 0.20 H new ATOM 0 HZ2 TRP A 35 -13.313 -1.905 0.752 1.00 0.29 H new ATOM 0 HZ3 TRP A 35 -10.379 -2.686 -2.303 1.00 0.22 H new ATOM 0 HH2 TRP A 35 -12.496 -1.610 -1.581 1.00 0.25 H new ATOM 594 N GLN A 36 -6.744 -7.698 1.812 1.00 0.19 N ATOM 595 CA GLN A 36 -5.449 -8.325 1.644 1.00 0.21 C ATOM 596 C GLN A 36 -5.187 -8.511 0.155 1.00 0.28 C ATOM 597 O GLN A 36 -6.006 -9.094 -0.549 1.00 0.54 O ATOM 598 CB GLN A 36 -5.428 -9.659 2.406 1.00 0.39 C ATOM 599 CG GLN A 36 -6.768 -10.414 2.345 1.00 0.67 C ATOM 600 CD GLN A 36 -6.668 -11.817 2.933 1.00 1.01 C ATOM 601 OE1 GLN A 36 -5.596 -12.421 2.935 1.00 1.40 O ATOM 602 NE2 GLN A 36 -7.780 -12.355 3.424 1.00 1.64 N ATOM 0 H GLN A 36 -7.400 -7.887 1.054 1.00 0.19 H new ATOM 0 HA GLN A 36 -4.655 -7.700 2.054 1.00 0.21 H new ATOM 0 HB2 GLN A 36 -4.642 -10.293 1.994 1.00 0.39 H new ATOM 0 HB3 GLN A 36 -5.172 -9.470 3.449 1.00 0.39 H new ATOM 0 HG2 GLN A 36 -7.526 -9.849 2.887 1.00 0.67 H new ATOM 0 HG3 GLN A 36 -7.099 -10.479 1.309 1.00 0.67 H new ATOM 0 HE21 GLN A 36 -8.653 -11.827 3.407 1.00 1.64 H new ATOM 0 HE22 GLN A 36 -7.761 -13.296 3.818 1.00 1.64 H new ATOM 611 N GLY A 37 -4.052 -8.017 -0.337 1.00 0.21 N ATOM 612 CA GLY A 37 -3.717 -8.150 -1.744 1.00 0.21 C ATOM 613 C GLY A 37 -2.323 -7.613 -2.001 1.00 0.21 C ATOM 614 O GLY A 37 -1.521 -7.532 -1.075 1.00 0.26 O ATOM 0 H GLY A 37 -3.354 -7.523 0.220 1.00 0.21 H new ATOM 0 HA2 GLY A 37 -3.772 -9.197 -2.041 1.00 0.21 H new ATOM 0 HA3 GLY A 37 -4.442 -7.608 -2.351 1.00 0.21 H new ATOM 618 N LEU A 38 -2.009 -7.250 -3.242 1.00 0.23 N ATOM 619 CA LEU A 38 -0.712 -6.681 -3.559 1.00 0.23 C ATOM 620 C LEU A 38 -0.900 -5.449 -4.416 1.00 0.24 C ATOM 621 O LEU A 38 -1.963 -5.217 -4.993 1.00 0.30 O ATOM 622 CB LEU A 38 0.225 -7.727 -4.193 1.00 0.24 C ATOM 623 CG LEU A 38 -0.209 -8.287 -5.562 1.00 0.27 C ATOM 624 CD1 LEU A 38 0.045 -7.338 -6.737 1.00 0.31 C ATOM 625 CD2 LEU A 38 0.573 -9.571 -5.853 1.00 0.30 C ATOM 0 H LEU A 38 -2.637 -7.342 -4.040 1.00 0.23 H new ATOM 0 HA LEU A 38 -0.216 -6.371 -2.639 1.00 0.23 H new ATOM 0 HB2 LEU A 38 1.213 -7.280 -4.303 1.00 0.24 H new ATOM 0 HB3 LEU A 38 0.328 -8.561 -3.499 1.00 0.24 H new ATOM 0 HG LEU A 38 -1.284 -8.449 -5.484 1.00 0.27 H new ATOM 0 HD11 LEU A 38 -0.288 -7.808 -7.663 1.00 0.31 H new ATOM 0 HD12 LEU A 38 -0.506 -6.411 -6.582 1.00 0.31 H new ATOM 0 HD13 LEU A 38 1.111 -7.119 -6.804 1.00 0.31 H new ATOM 0 HD21 LEU A 38 0.269 -9.971 -6.820 1.00 0.30 H new ATOM 0 HD22 LEU A 38 1.640 -9.351 -5.870 1.00 0.30 H new ATOM 0 HD23 LEU A 38 0.367 -10.307 -5.076 1.00 0.30 H new ATOM 637 N ILE A 39 0.162 -4.664 -4.516 1.00 0.19 N ATOM 638 CA ILE A 39 0.186 -3.502 -5.368 1.00 0.17 C ATOM 639 C ILE A 39 1.385 -3.679 -6.284 1.00 0.18 C ATOM 640 O ILE A 39 2.518 -3.783 -5.816 1.00 0.30 O ATOM 641 CB ILE A 39 0.161 -2.208 -4.535 1.00 0.17 C ATOM 642 CG1 ILE A 39 1.160 -2.245 -3.360 1.00 0.17 C ATOM 643 CG2 ILE A 39 -1.267 -2.019 -3.999 1.00 0.19 C ATOM 644 CD1 ILE A 39 1.071 -1.001 -2.479 1.00 0.18 C ATOM 0 H ILE A 39 1.030 -4.822 -4.004 1.00 0.19 H new ATOM 0 HA ILE A 39 -0.703 -3.405 -5.991 1.00 0.17 H new ATOM 0 HB ILE A 39 0.459 -1.376 -5.173 1.00 0.17 H new ATOM 0 HG12 ILE A 39 0.970 -3.130 -2.753 1.00 0.17 H new ATOM 0 HG13 ILE A 39 2.173 -2.338 -3.751 1.00 0.17 H new ATOM 0 HG21 ILE A 39 -1.314 -1.107 -3.403 1.00 0.19 H new ATOM 0 HG22 ILE A 39 -1.962 -1.943 -4.835 1.00 0.19 H new ATOM 0 HG23 ILE A 39 -1.538 -2.873 -3.378 1.00 0.19 H new ATOM 0 HD11 ILE A 39 1.795 -1.077 -1.667 1.00 0.18 H new ATOM 0 HD12 ILE A 39 1.288 -0.116 -3.077 1.00 0.18 H new ATOM 0 HD13 ILE A 39 0.067 -0.921 -2.063 1.00 0.18 H new ATOM 656 N VAL A 40 1.102 -3.830 -7.578 1.00 0.23 N ATOM 657 CA VAL A 40 2.091 -3.906 -8.633 1.00 0.22 C ATOM 658 C VAL A 40 2.559 -2.474 -8.855 1.00 0.28 C ATOM 659 O VAL A 40 1.753 -1.636 -9.244 1.00 0.42 O ATOM 660 CB VAL A 40 1.465 -4.470 -9.922 1.00 0.19 C ATOM 661 CG1 VAL A 40 2.554 -4.767 -10.955 1.00 0.24 C ATOM 662 CG2 VAL A 40 0.696 -5.766 -9.648 1.00 0.26 C ATOM 0 H VAL A 40 0.145 -3.904 -7.923 1.00 0.23 H new ATOM 0 HA VAL A 40 2.916 -4.567 -8.365 1.00 0.22 H new ATOM 0 HB VAL A 40 0.776 -3.716 -10.303 1.00 0.19 H new ATOM 0 HG11 VAL A 40 2.097 -5.165 -11.861 1.00 0.24 H new ATOM 0 HG12 VAL A 40 3.090 -3.848 -11.193 1.00 0.24 H new ATOM 0 HG13 VAL A 40 3.251 -5.499 -10.548 1.00 0.24 H new ATOM 0 HG21 VAL A 40 0.267 -6.138 -10.578 1.00 0.26 H new ATOM 0 HG22 VAL A 40 1.376 -6.513 -9.238 1.00 0.26 H new ATOM 0 HG23 VAL A 40 -0.103 -5.571 -8.932 1.00 0.26 H new ATOM 672 N PRO A 41 3.817 -2.150 -8.561 1.00 0.35 N ATOM 673 CA PRO A 41 4.339 -0.834 -8.853 1.00 0.40 C ATOM 674 C PRO A 41 4.563 -0.645 -10.355 1.00 0.33 C ATOM 675 O PRO A 41 4.457 -1.588 -11.133 1.00 0.35 O ATOM 676 CB PRO A 41 5.664 -0.742 -8.106 1.00 0.62 C ATOM 677 CG PRO A 41 5.961 -2.137 -7.557 1.00 0.56 C ATOM 678 CD PRO A 41 4.815 -3.033 -7.999 1.00 0.50 C ATOM 0 HA PRO A 41 3.639 -0.058 -8.544 1.00 0.40 H new ATOM 0 HB2 PRO A 41 6.461 -0.411 -8.772 1.00 0.62 H new ATOM 0 HB3 PRO A 41 5.602 -0.014 -7.297 1.00 0.62 H new ATOM 0 HG2 PRO A 41 6.912 -2.509 -7.938 1.00 0.56 H new ATOM 0 HG3 PRO A 41 6.039 -2.117 -6.470 1.00 0.56 H new ATOM 0 HD2 PRO A 41 5.151 -3.762 -8.736 1.00 0.50 H new ATOM 0 HD3 PRO A 41 4.410 -3.594 -7.157 1.00 0.50 H new ATOM 686 N ASP A 42 4.974 0.571 -10.719 1.00 0.39 N ATOM 687 CA ASP A 42 5.447 0.954 -12.043 1.00 0.44 C ATOM 688 C ASP A 42 6.903 1.406 -11.925 1.00 0.37 C ATOM 689 O ASP A 42 7.776 0.914 -12.631 1.00 0.40 O ATOM 690 CB ASP A 42 4.617 2.119 -12.612 1.00 0.62 C ATOM 691 CG ASP A 42 3.226 1.704 -13.094 1.00 0.94 C ATOM 692 OD1 ASP A 42 3.134 0.703 -13.833 1.00 1.20 O ATOM 693 OD2 ASP A 42 2.258 2.426 -12.755 1.00 1.80 O ATOM 0 H ASP A 42 4.985 1.352 -10.063 1.00 0.39 H new ATOM 0 HA ASP A 42 5.351 0.098 -12.711 1.00 0.44 H new ATOM 0 HB2 ASP A 42 4.512 2.887 -11.846 1.00 0.62 H new ATOM 0 HB3 ASP A 42 5.161 2.569 -13.443 1.00 0.62 H new ATOM 698 N ASN A 43 7.153 2.386 -11.050 1.00 0.35 N ATOM 699 CA ASN A 43 8.449 3.052 -10.923 1.00 0.33 C ATOM 700 C ASN A 43 9.546 2.107 -10.411 1.00 0.29 C ATOM 701 O ASN A 43 10.552 1.928 -11.094 1.00 0.34 O ATOM 702 CB ASN A 43 8.323 4.311 -10.045 1.00 0.34 C ATOM 703 CG ASN A 43 8.660 5.583 -10.808 1.00 0.41 C ATOM 704 OD1 ASN A 43 9.770 5.730 -11.305 1.00 0.57 O ATOM 705 ND2 ASN A 43 7.723 6.517 -10.913 1.00 0.70 N ATOM 0 H ASN A 43 6.450 2.742 -10.402 1.00 0.35 H new ATOM 0 HA ASN A 43 8.759 3.361 -11.921 1.00 0.33 H new ATOM 0 HB2 ASN A 43 7.307 4.381 -9.658 1.00 0.34 H new ATOM 0 HB3 ASN A 43 8.986 4.219 -9.185 1.00 0.34 H new ATOM 0 HD21 ASN A 43 7.919 7.382 -11.417 1.00 0.70 H new ATOM 0 HD22 ASN A 43 6.807 6.370 -10.490 1.00 0.70 H new ATOM 712 N PRO A 44 9.433 1.533 -9.201 1.00 0.25 N ATOM 713 CA PRO A 44 10.434 0.603 -8.708 1.00 0.24 C ATOM 714 C PRO A 44 10.319 -0.725 -9.467 1.00 0.24 C ATOM 715 O PRO A 44 9.290 -1.001 -10.079 1.00 0.26 O ATOM 716 CB PRO A 44 10.135 0.448 -7.213 1.00 0.25 C ATOM 717 CG PRO A 44 8.623 0.607 -7.179 1.00 0.24 C ATOM 718 CD PRO A 44 8.384 1.708 -8.213 1.00 0.24 C ATOM 0 HA PRO A 44 11.456 0.951 -8.859 1.00 0.24 H new ATOM 0 HB2 PRO A 44 10.453 -0.522 -6.831 1.00 0.25 H new ATOM 0 HB3 PRO A 44 10.639 1.207 -6.615 1.00 0.25 H new ATOM 0 HG2 PRO A 44 8.111 -0.318 -7.445 1.00 0.24 H new ATOM 0 HG3 PRO A 44 8.267 0.895 -6.190 1.00 0.24 H new ATOM 0 HD2 PRO A 44 7.397 1.616 -8.666 1.00 0.24 H new ATOM 0 HD3 PRO A 44 8.434 2.696 -7.756 1.00 0.24 H new ATOM 726 N PRO A 45 11.366 -1.561 -9.405 1.00 0.25 N ATOM 727 CA PRO A 45 11.511 -2.797 -10.169 1.00 0.27 C ATOM 728 C PRO A 45 10.420 -3.833 -9.891 1.00 0.31 C ATOM 729 O PRO A 45 10.623 -4.789 -9.142 1.00 0.56 O ATOM 730 CB PRO A 45 12.917 -3.309 -9.864 1.00 0.31 C ATOM 731 CG PRO A 45 13.285 -2.615 -8.566 1.00 0.30 C ATOM 732 CD PRO A 45 12.588 -1.272 -8.687 1.00 0.30 C ATOM 0 HA PRO A 45 11.383 -2.602 -11.234 1.00 0.27 H new ATOM 0 HB2 PRO A 45 12.932 -4.393 -9.755 1.00 0.31 H new ATOM 0 HB3 PRO A 45 13.615 -3.059 -10.663 1.00 0.31 H new ATOM 0 HG2 PRO A 45 12.937 -3.173 -7.697 1.00 0.30 H new ATOM 0 HG3 PRO A 45 14.364 -2.502 -8.461 1.00 0.30 H new ATOM 0 HD2 PRO A 45 12.380 -0.843 -7.707 1.00 0.30 H new ATOM 0 HD3 PRO A 45 13.204 -0.552 -9.226 1.00 0.30 H new ATOM 740 N TYR A 46 9.272 -3.678 -10.550 1.00 0.27 N ATOM 741 CA TYR A 46 8.147 -4.579 -10.397 1.00 0.31 C ATOM 742 C TYR A 46 8.339 -5.864 -11.196 1.00 0.37 C ATOM 743 O TYR A 46 7.657 -6.843 -10.935 1.00 0.75 O ATOM 744 CB TYR A 46 6.843 -3.890 -10.800 1.00 0.35 C ATOM 745 CG TYR A 46 6.721 -3.562 -12.269 1.00 0.39 C ATOM 746 CD1 TYR A 46 6.134 -4.493 -13.146 1.00 1.51 C ATOM 747 CD2 TYR A 46 7.170 -2.321 -12.754 1.00 1.61 C ATOM 748 CE1 TYR A 46 5.995 -4.188 -14.510 1.00 1.62 C ATOM 749 CE2 TYR A 46 7.033 -2.008 -14.116 1.00 1.77 C ATOM 750 CZ TYR A 46 6.445 -2.940 -14.999 1.00 1.01 C ATOM 751 OH TYR A 46 6.307 -2.626 -16.318 1.00 1.36 O ATOM 0 H TYR A 46 9.103 -2.917 -11.207 1.00 0.27 H new ATOM 0 HA TYR A 46 8.089 -4.850 -9.343 1.00 0.31 H new ATOM 0 HB2 TYR A 46 6.008 -4.531 -10.516 1.00 0.35 H new ATOM 0 HB3 TYR A 46 6.746 -2.967 -10.228 1.00 0.35 H new ATOM 0 HD1 TYR A 46 5.789 -5.445 -12.769 1.00 1.51 H new ATOM 0 HD2 TYR A 46 7.620 -1.608 -12.079 1.00 1.61 H new ATOM 0 HE1 TYR A 46 5.546 -4.904 -15.183 1.00 1.62 H new ATOM 0 HE2 TYR A 46 7.377 -1.054 -14.488 1.00 1.77 H new ATOM 0 HH TYR A 46 6.668 -1.730 -16.480 1.00 1.36 H new ATOM 761 N ASP A 47 9.262 -5.909 -12.161 1.00 0.32 N ATOM 762 CA ASP A 47 9.467 -7.120 -12.958 1.00 0.36 C ATOM 763 C ASP A 47 9.735 -8.313 -12.043 1.00 0.41 C ATOM 764 O ASP A 47 9.249 -9.422 -12.266 1.00 0.65 O ATOM 765 CB ASP A 47 10.651 -6.963 -13.919 1.00 0.42 C ATOM 766 CG ASP A 47 10.376 -5.976 -15.047 1.00 1.25 C ATOM 767 OD1 ASP A 47 9.224 -5.963 -15.528 1.00 2.41 O ATOM 768 OD2 ASP A 47 11.335 -5.257 -15.401 1.00 2.27 O ATOM 0 H ASP A 47 9.873 -5.130 -12.407 1.00 0.32 H new ATOM 0 HA ASP A 47 8.560 -7.287 -13.538 1.00 0.36 H new ATOM 0 HB2 ASP A 47 11.525 -6.631 -13.359 1.00 0.42 H new ATOM 0 HB3 ASP A 47 10.896 -7.935 -14.346 1.00 0.42 H new ATOM 773 N LYS A 48 10.528 -8.098 -10.992 1.00 0.28 N ATOM 774 CA LYS A 48 10.885 -9.194 -10.104 1.00 0.35 C ATOM 775 C LYS A 48 9.705 -9.598 -9.221 1.00 0.41 C ATOM 776 O LYS A 48 9.658 -10.746 -8.789 1.00 0.67 O ATOM 777 CB LYS A 48 12.134 -8.861 -9.270 1.00 0.47 C ATOM 778 CG LYS A 48 13.429 -8.998 -10.091 1.00 0.64 C ATOM 779 CD LYS A 48 13.752 -7.747 -10.916 1.00 0.91 C ATOM 780 CE LYS A 48 14.886 -7.972 -11.928 1.00 0.98 C ATOM 781 NZ LYS A 48 16.124 -8.502 -11.318 1.00 2.34 N ATOM 0 H LYS A 48 10.926 -7.193 -10.742 1.00 0.28 H new ATOM 0 HA LYS A 48 11.136 -10.054 -10.725 1.00 0.35 H new ATOM 0 HB2 LYS A 48 12.054 -7.844 -8.887 1.00 0.47 H new ATOM 0 HB3 LYS A 48 12.181 -9.524 -8.406 1.00 0.47 H new ATOM 0 HG2 LYS A 48 14.260 -9.206 -9.417 1.00 0.64 H new ATOM 0 HG3 LYS A 48 13.340 -9.854 -10.760 1.00 0.64 H new ATOM 0 HD2 LYS A 48 12.856 -7.428 -11.448 1.00 0.91 H new ATOM 0 HD3 LYS A 48 14.029 -6.936 -10.243 1.00 0.91 H new ATOM 0 HE2 LYS A 48 14.544 -8.665 -12.697 1.00 0.98 H new ATOM 0 HE3 LYS A 48 15.111 -7.029 -12.426 1.00 0.98 H new ATOM 0 HZ1 LYS A 48 16.950 -8.053 -11.763 1.00 2.34 H new ATOM 0 HZ2 LYS A 48 16.125 -8.295 -10.299 1.00 2.34 H new ATOM 0 HZ3 LYS A 48 16.169 -9.531 -11.462 1.00 2.34 H new ATOM 795 N GLY A 49 8.767 -8.697 -8.928 1.00 0.31 N ATOM 796 CA GLY A 49 7.743 -8.959 -7.933 1.00 0.35 C ATOM 797 C GLY A 49 7.010 -7.676 -7.547 1.00 0.32 C ATOM 798 O GLY A 49 7.045 -6.687 -8.269 1.00 0.41 O ATOM 0 H GLY A 49 8.701 -7.780 -9.370 1.00 0.31 H new ATOM 0 HA2 GLY A 49 7.030 -9.685 -8.323 1.00 0.35 H new ATOM 0 HA3 GLY A 49 8.197 -9.402 -7.047 1.00 0.35 H new ATOM 802 N ALA A 50 6.322 -7.686 -6.413 1.00 0.29 N ATOM 803 CA ALA A 50 5.460 -6.607 -5.970 1.00 0.32 C ATOM 804 C ALA A 50 5.600 -6.477 -4.463 1.00 0.27 C ATOM 805 O ALA A 50 6.507 -7.046 -3.857 1.00 0.23 O ATOM 806 CB ALA A 50 4.009 -6.941 -6.334 1.00 0.44 C ATOM 0 H ALA A 50 6.352 -8.469 -5.760 1.00 0.29 H new ATOM 0 HA ALA A 50 5.738 -5.669 -6.451 1.00 0.32 H new ATOM 0 HB1 ALA A 50 3.356 -6.133 -6.003 1.00 0.44 H new ATOM 0 HB2 ALA A 50 3.923 -7.058 -7.414 1.00 0.44 H new ATOM 0 HB3 ALA A 50 3.715 -7.869 -5.844 1.00 0.44 H new ATOM 812 N PHE A 51 4.654 -5.783 -3.839 1.00 0.33 N ATOM 813 CA PHE A 51 4.634 -5.606 -2.406 1.00 0.32 C ATOM 814 C PHE A 51 3.255 -6.037 -1.931 1.00 0.28 C ATOM 815 O PHE A 51 2.246 -5.515 -2.410 1.00 0.26 O ATOM 816 CB PHE A 51 4.971 -4.146 -2.093 1.00 0.50 C ATOM 817 CG PHE A 51 6.331 -3.742 -2.643 1.00 0.47 C ATOM 818 CD1 PHE A 51 7.493 -4.237 -2.033 1.00 1.63 C ATOM 819 CD2 PHE A 51 6.443 -2.990 -3.828 1.00 2.26 C ATOM 820 CE1 PHE A 51 8.758 -4.017 -2.603 1.00 1.45 C ATOM 821 CE2 PHE A 51 7.710 -2.769 -4.404 1.00 2.79 C ATOM 822 CZ PHE A 51 8.865 -3.294 -3.801 1.00 1.55 C ATOM 0 H PHE A 51 3.879 -5.328 -4.323 1.00 0.33 H new ATOM 0 HA PHE A 51 5.375 -6.210 -1.882 1.00 0.32 H new ATOM 0 HB2 PHE A 51 4.203 -3.498 -2.515 1.00 0.50 H new ATOM 0 HB3 PHE A 51 4.957 -3.995 -1.014 1.00 0.50 H new ATOM 0 HD1 PHE A 51 7.414 -4.795 -1.112 1.00 1.63 H new ATOM 0 HD2 PHE A 51 5.559 -2.583 -4.295 1.00 2.26 H new ATOM 0 HE1 PHE A 51 9.644 -4.403 -2.121 1.00 1.45 H new ATOM 0 HE2 PHE A 51 7.793 -2.193 -5.314 1.00 2.79 H new ATOM 0 HZ PHE A 51 9.832 -3.142 -4.258 1.00 1.55 H new ATOM 832 N ARG A 52 3.198 -7.037 -1.048 1.00 0.29 N ATOM 833 CA ARG A 52 1.926 -7.466 -0.488 1.00 0.27 C ATOM 834 C ARG A 52 1.595 -6.525 0.646 1.00 0.25 C ATOM 835 O ARG A 52 2.461 -6.245 1.477 1.00 0.31 O ATOM 836 CB ARG A 52 1.996 -8.900 0.042 1.00 0.37 C ATOM 837 CG ARG A 52 0.623 -9.340 0.563 1.00 0.74 C ATOM 838 CD ARG A 52 0.581 -10.789 1.043 1.00 0.82 C ATOM 839 NE ARG A 52 -0.728 -11.079 1.657 1.00 1.25 N ATOM 840 CZ ARG A 52 -1.055 -12.204 2.304 1.00 1.81 C ATOM 841 NH1 ARG A 52 -2.259 -12.338 2.866 1.00 2.29 N ATOM 842 NH2 ARG A 52 -0.168 -13.197 2.385 1.00 2.25 N ATOM 0 H ARG A 52 4.010 -7.556 -0.712 1.00 0.29 H new ATOM 0 HA ARG A 52 1.161 -7.445 -1.265 1.00 0.27 H new ATOM 0 HB2 ARG A 52 2.325 -9.573 -0.750 1.00 0.37 H new ATOM 0 HB3 ARG A 52 2.734 -8.964 0.842 1.00 0.37 H new ATOM 0 HG2 ARG A 52 0.330 -8.686 1.385 1.00 0.74 H new ATOM 0 HG3 ARG A 52 -0.115 -9.208 -0.228 1.00 0.74 H new ATOM 0 HD2 ARG A 52 0.756 -11.464 0.205 1.00 0.82 H new ATOM 0 HD3 ARG A 52 1.378 -10.965 1.766 1.00 0.82 H new ATOM 0 HE ARG A 52 -1.447 -10.359 1.582 1.00 1.25 H new ATOM 0 HH11 ARG A 52 -2.938 -11.579 2.804 1.00 2.29 H new ATOM 0 HH12 ARG A 52 -2.500 -13.199 3.357 1.00 2.29 H new ATOM 0 HH21 ARG A 52 0.752 -13.096 1.956 1.00 2.25 H new ATOM 0 HH22 ARG A 52 -0.409 -14.058 2.876 1.00 2.25 H new ATOM 856 N ILE A 53 0.338 -6.100 0.725 1.00 0.21 N ATOM 857 CA ILE A 53 -0.125 -5.251 1.794 1.00 0.21 C ATOM 858 C ILE A 53 -1.463 -5.758 2.312 1.00 0.20 C ATOM 859 O ILE A 53 -2.158 -6.535 1.657 1.00 0.24 O ATOM 860 CB ILE A 53 -0.177 -3.789 1.326 1.00 0.22 C ATOM 861 CG1 ILE A 53 -1.221 -3.498 0.239 1.00 0.18 C ATOM 862 CG2 ILE A 53 1.192 -3.379 0.775 1.00 0.26 C ATOM 863 CD1 ILE A 53 -1.644 -2.035 0.349 1.00 0.30 C ATOM 0 H ILE A 53 -0.382 -6.340 0.044 1.00 0.21 H new ATOM 0 HA ILE A 53 0.575 -5.286 2.629 1.00 0.21 H new ATOM 0 HB ILE A 53 -0.463 -3.217 2.209 1.00 0.22 H new ATOM 0 HG12 ILE A 53 -0.805 -3.698 -0.748 1.00 0.18 H new ATOM 0 HG13 ILE A 53 -2.085 -4.152 0.359 1.00 0.18 H new ATOM 0 HG21 ILE A 53 1.155 -2.341 0.443 1.00 0.26 H new ATOM 0 HG22 ILE A 53 1.945 -3.483 1.556 1.00 0.26 H new ATOM 0 HG23 ILE A 53 1.452 -4.020 -0.067 1.00 0.26 H new ATOM 0 HD11 ILE A 53 -2.386 -1.812 -0.417 1.00 0.30 H new ATOM 0 HD12 ILE A 53 -2.074 -1.854 1.334 1.00 0.30 H new ATOM 0 HD13 ILE A 53 -0.774 -1.393 0.209 1.00 0.30 H new ATOM 875 N GLU A 54 -1.810 -5.316 3.513 1.00 0.22 N ATOM 876 CA GLU A 54 -3.001 -5.736 4.218 1.00 0.21 C ATOM 877 C GLU A 54 -3.537 -4.484 4.896 1.00 0.23 C ATOM 878 O GLU A 54 -2.758 -3.753 5.507 1.00 0.25 O ATOM 879 CB GLU A 54 -2.564 -6.827 5.195 1.00 0.19 C ATOM 880 CG GLU A 54 -3.684 -7.406 6.056 1.00 0.30 C ATOM 881 CD GLU A 54 -3.066 -8.495 6.927 1.00 0.59 C ATOM 882 OE1 GLU A 54 -3.000 -9.651 6.457 1.00 1.23 O ATOM 883 OE2 GLU A 54 -2.535 -8.136 8.005 1.00 1.61 O ATOM 0 H GLU A 54 -1.253 -4.638 4.033 1.00 0.22 H new ATOM 0 HA GLU A 54 -3.792 -6.153 3.594 1.00 0.21 H new ATOM 0 HB2 GLU A 54 -2.104 -7.638 4.630 1.00 0.19 H new ATOM 0 HB3 GLU A 54 -1.795 -6.420 5.851 1.00 0.19 H new ATOM 0 HG2 GLU A 54 -4.135 -6.629 6.673 1.00 0.30 H new ATOM 0 HG3 GLU A 54 -4.477 -7.817 5.431 1.00 0.30 H new ATOM 890 N ILE A 55 -4.826 -4.187 4.719 1.00 0.27 N ATOM 891 CA ILE A 55 -5.439 -2.924 5.109 1.00 0.25 C ATOM 892 C ILE A 55 -6.523 -3.282 6.115 1.00 0.28 C ATOM 893 O ILE A 55 -7.531 -3.889 5.756 1.00 0.47 O ATOM 894 CB ILE A 55 -6.088 -2.213 3.900 1.00 0.23 C ATOM 895 CG1 ILE A 55 -5.211 -2.172 2.635 1.00 0.26 C ATOM 896 CG2 ILE A 55 -6.561 -0.797 4.259 1.00 0.35 C ATOM 897 CD1 ILE A 55 -6.066 -1.973 1.385 1.00 1.24 C ATOM 0 H ILE A 55 -5.485 -4.836 4.290 1.00 0.27 H new ATOM 0 HA ILE A 55 -4.689 -2.247 5.519 1.00 0.25 H new ATOM 0 HB ILE A 55 -6.951 -2.832 3.654 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -4.485 -1.363 2.717 1.00 0.26 H new ATOM 0 HG13 ILE A 55 -4.645 -3.100 2.550 1.00 0.26 H new ATOM 0 HG21 ILE A 55 -7.011 -0.331 3.383 1.00 0.35 H new ATOM 0 HG22 ILE A 55 -7.298 -0.852 5.060 1.00 0.35 H new ATOM 0 HG23 ILE A 55 -5.710 -0.202 4.589 1.00 0.35 H new ATOM 0 HD11 ILE A 55 -5.423 -1.947 0.505 1.00 1.24 H new ATOM 0 HD12 ILE A 55 -6.774 -2.797 1.294 1.00 1.24 H new ATOM 0 HD13 ILE A 55 -6.612 -1.033 1.463 1.00 1.24 H new ATOM 909 N ASN A 56 -6.336 -2.943 7.382 1.00 0.35 N ATOM 910 CA ASN A 56 -7.309 -3.301 8.394 1.00 0.31 C ATOM 911 C ASN A 56 -8.328 -2.173 8.460 1.00 0.29 C ATOM 912 O ASN A 56 -7.987 -1.072 8.897 1.00 0.30 O ATOM 913 CB ASN A 56 -6.603 -3.503 9.743 1.00 0.36 C ATOM 914 CG ASN A 56 -5.357 -4.367 9.605 1.00 0.39 C ATOM 915 OD1 ASN A 56 -4.244 -3.865 9.706 1.00 1.19 O ATOM 916 ND2 ASN A 56 -5.515 -5.655 9.330 1.00 0.97 N ATOM 0 H ASN A 56 -5.528 -2.426 7.728 1.00 0.35 H new ATOM 0 HA ASN A 56 -7.813 -4.236 8.150 1.00 0.31 H new ATOM 0 HB2 ASN A 56 -6.329 -2.533 10.159 1.00 0.36 H new ATOM 0 HB3 ASN A 56 -7.292 -3.969 10.448 1.00 0.36 H new ATOM 0 HD21 ASN A 56 -4.699 -6.252 9.197 1.00 0.97 H new ATOM 0 HD22 ASN A 56 -6.453 -6.048 9.251 1.00 0.97 H new ATOM 923 N PHE A 57 -9.565 -2.432 8.023 1.00 0.30 N ATOM 924 CA PHE A 57 -10.602 -1.403 7.968 1.00 0.31 C ATOM 925 C PHE A 57 -11.765 -1.803 8.872 1.00 0.32 C ATOM 926 O PHE A 57 -12.708 -2.449 8.428 1.00 0.39 O ATOM 927 CB PHE A 57 -11.042 -1.157 6.514 1.00 0.37 C ATOM 928 CG PHE A 57 -11.218 0.292 6.106 1.00 0.64 C ATOM 929 CD1 PHE A 57 -10.926 0.657 4.784 1.00 1.21 C ATOM 930 CD2 PHE A 57 -11.639 1.278 7.015 1.00 2.19 C ATOM 931 CE1 PHE A 57 -11.089 1.985 4.350 1.00 1.16 C ATOM 932 CE2 PHE A 57 -11.753 2.617 6.597 1.00 2.56 C ATOM 933 CZ PHE A 57 -11.506 2.970 5.260 1.00 1.45 C ATOM 0 H PHE A 57 -9.871 -3.350 7.702 1.00 0.30 H new ATOM 0 HA PHE A 57 -10.205 -0.458 8.337 1.00 0.31 H new ATOM 0 HB2 PHE A 57 -10.306 -1.613 5.851 1.00 0.37 H new ATOM 0 HB3 PHE A 57 -11.986 -1.677 6.349 1.00 0.37 H new ATOM 0 HD1 PHE A 57 -10.571 -0.091 4.090 1.00 1.21 H new ATOM 0 HD2 PHE A 57 -11.875 1.008 8.034 1.00 2.19 H new ATOM 0 HE1 PHE A 57 -10.894 2.246 3.320 1.00 1.16 H new ATOM 0 HE2 PHE A 57 -12.033 3.379 7.310 1.00 2.56 H new ATOM 0 HZ PHE A 57 -11.636 3.991 4.934 1.00 1.45 H new ATOM 943 N PRO A 58 -11.708 -1.458 10.163 1.00 0.32 N ATOM 944 CA PRO A 58 -12.669 -1.959 11.129 1.00 0.34 C ATOM 945 C PRO A 58 -14.061 -1.375 10.878 1.00 0.32 C ATOM 946 O PRO A 58 -14.242 -0.453 10.084 1.00 0.29 O ATOM 947 CB PRO A 58 -12.096 -1.569 12.495 1.00 0.38 C ATOM 948 CG PRO A 58 -11.242 -0.337 12.191 1.00 0.36 C ATOM 949 CD PRO A 58 -10.698 -0.627 10.793 1.00 0.33 C ATOM 0 HA PRO A 58 -12.808 -3.038 11.060 1.00 0.34 H new ATOM 0 HB2 PRO A 58 -12.886 -1.342 13.211 1.00 0.38 H new ATOM 0 HB3 PRO A 58 -11.499 -2.374 12.924 1.00 0.38 H new ATOM 0 HG2 PRO A 58 -11.834 0.578 12.211 1.00 0.36 H new ATOM 0 HG3 PRO A 58 -10.439 -0.214 12.918 1.00 0.36 H new ATOM 0 HD2 PRO A 58 -10.539 0.294 10.232 1.00 0.33 H new ATOM 0 HD3 PRO A 58 -9.738 -1.141 10.842 1.00 0.33 H new ATOM 957 N ALA A 59 -15.062 -1.887 11.605 1.00 0.34 N ATOM 958 CA ALA A 59 -16.418 -1.353 11.541 1.00 0.33 C ATOM 959 C ALA A 59 -16.425 0.140 11.848 1.00 0.30 C ATOM 960 O ALA A 59 -17.240 0.889 11.315 1.00 0.31 O ATOM 961 CB ALA A 59 -17.337 -2.104 12.502 1.00 0.37 C ATOM 0 H ALA A 59 -14.952 -2.673 12.245 1.00 0.34 H new ATOM 0 HA ALA A 59 -16.793 -1.494 10.527 1.00 0.33 H new ATOM 0 HB1 ALA A 59 -18.344 -1.691 12.440 1.00 0.37 H new ATOM 0 HB2 ALA A 59 -17.360 -3.160 12.233 1.00 0.37 H new ATOM 0 HB3 ALA A 59 -16.964 -1.998 13.520 1.00 0.37 H new ATOM 967 N GLU A 60 -15.471 0.570 12.668 1.00 0.29 N ATOM 968 CA GLU A 60 -15.215 1.950 13.022 1.00 0.28 C ATOM 969 C GLU A 60 -14.595 2.755 11.872 1.00 0.32 C ATOM 970 O GLU A 60 -13.993 3.789 12.133 1.00 0.33 O ATOM 971 CB GLU A 60 -14.262 1.957 14.219 1.00 0.31 C ATOM 972 CG GLU A 60 -14.798 1.148 15.400 1.00 0.39 C ATOM 973 CD GLU A 60 -13.823 1.302 16.561 1.00 0.55 C ATOM 974 OE1 GLU A 60 -12.769 0.628 16.533 1.00 1.67 O ATOM 975 OE2 GLU A 60 -14.020 2.213 17.395 1.00 1.71 O ATOM 0 H GLU A 60 -14.825 -0.074 13.124 1.00 0.29 H new ATOM 0 HA GLU A 60 -16.167 2.425 13.259 1.00 0.28 H new ATOM 0 HB2 GLU A 60 -13.297 1.552 13.913 1.00 0.31 H new ATOM 0 HB3 GLU A 60 -14.090 2.986 14.536 1.00 0.31 H new ATOM 0 HG2 GLU A 60 -15.789 1.502 15.685 1.00 0.39 H new ATOM 0 HG3 GLU A 60 -14.901 0.098 15.126 1.00 0.39 H new ATOM 982 N TYR A 61 -14.762 2.353 10.608 1.00 0.39 N ATOM 983 CA TYR A 61 -14.337 3.126 9.443 1.00 0.50 C ATOM 984 C TYR A 61 -14.717 4.611 9.544 1.00 0.43 C ATOM 985 O TYR A 61 -13.858 5.468 9.353 1.00 0.45 O ATOM 986 CB TYR A 61 -14.834 2.447 8.144 1.00 0.71 C ATOM 987 CG TYR A 61 -15.490 3.329 7.088 1.00 0.84 C ATOM 988 CD1 TYR A 61 -16.819 3.086 6.689 1.00 2.18 C ATOM 989 CD2 TYR A 61 -14.785 4.402 6.509 1.00 1.49 C ATOM 990 CE1 TYR A 61 -17.453 3.931 5.761 1.00 2.29 C ATOM 991 CE2 TYR A 61 -15.406 5.246 5.575 1.00 1.51 C ATOM 992 CZ TYR A 61 -16.756 5.030 5.215 1.00 1.11 C ATOM 993 OH TYR A 61 -17.391 5.880 4.357 1.00 1.27 O ATOM 0 H TYR A 61 -15.204 1.466 10.365 1.00 0.39 H new ATOM 0 HA TYR A 61 -13.247 3.127 9.413 1.00 0.50 H new ATOM 0 HB2 TYR A 61 -13.984 1.946 7.681 1.00 0.71 H new ATOM 0 HB3 TYR A 61 -15.547 1.671 8.423 1.00 0.71 H new ATOM 0 HD1 TYR A 61 -17.356 2.243 7.099 1.00 2.18 H new ATOM 0 HD2 TYR A 61 -13.756 4.577 6.786 1.00 1.49 H new ATOM 0 HE1 TYR A 61 -18.474 3.739 5.466 1.00 2.29 H new ATOM 0 HE2 TYR A 61 -14.853 6.060 5.131 1.00 1.51 H new ATOM 0 HH TYR A 61 -17.040 6.787 4.475 1.00 1.27 H new ATOM 1003 N PRO A 62 -15.978 4.968 9.824 1.00 0.43 N ATOM 1004 CA PRO A 62 -16.345 6.368 9.891 1.00 0.42 C ATOM 1005 C PRO A 62 -15.870 7.019 11.197 1.00 0.34 C ATOM 1006 O PRO A 62 -15.892 8.238 11.312 1.00 0.37 O ATOM 1007 CB PRO A 62 -17.866 6.384 9.738 1.00 0.51 C ATOM 1008 CG PRO A 62 -18.303 5.046 10.335 1.00 0.54 C ATOM 1009 CD PRO A 62 -17.127 4.109 10.067 1.00 0.49 C ATOM 0 HA PRO A 62 -15.866 6.958 9.109 1.00 0.42 H new ATOM 0 HB2 PRO A 62 -18.313 7.225 10.269 1.00 0.51 H new ATOM 0 HB3 PRO A 62 -18.163 6.472 8.693 1.00 0.51 H new ATOM 0 HG2 PRO A 62 -18.506 5.134 11.402 1.00 0.54 H new ATOM 0 HG3 PRO A 62 -19.217 4.681 9.866 1.00 0.54 H new ATOM 0 HD2 PRO A 62 -16.950 3.452 10.918 1.00 0.49 H new ATOM 0 HD3 PRO A 62 -17.325 3.470 9.207 1.00 0.49 H new ATOM 1017 N PHE A 63 -15.437 6.223 12.176 1.00 0.31 N ATOM 1018 CA PHE A 63 -14.982 6.677 13.484 1.00 0.30 C ATOM 1019 C PHE A 63 -13.481 6.966 13.504 1.00 0.32 C ATOM 1020 O PHE A 63 -13.039 7.792 14.298 1.00 0.37 O ATOM 1021 CB PHE A 63 -15.309 5.610 14.539 1.00 0.28 C ATOM 1022 CG PHE A 63 -16.424 5.995 15.486 1.00 0.42 C ATOM 1023 CD1 PHE A 63 -16.134 6.770 16.624 1.00 2.06 C ATOM 1024 CD2 PHE A 63 -17.742 5.564 15.248 1.00 1.53 C ATOM 1025 CE1 PHE A 63 -17.157 7.104 17.527 1.00 2.27 C ATOM 1026 CE2 PHE A 63 -18.765 5.899 16.152 1.00 1.45 C ATOM 1027 CZ PHE A 63 -18.473 6.666 17.293 1.00 0.92 C ATOM 0 H PHE A 63 -15.393 5.209 12.073 1.00 0.31 H new ATOM 0 HA PHE A 63 -15.502 7.608 13.709 1.00 0.30 H new ATOM 0 HB2 PHE A 63 -15.582 4.685 14.031 1.00 0.28 H new ATOM 0 HB3 PHE A 63 -14.410 5.402 15.119 1.00 0.28 H new ATOM 0 HD1 PHE A 63 -15.124 7.108 16.803 1.00 2.06 H new ATOM 0 HD2 PHE A 63 -17.968 4.976 14.371 1.00 1.53 H new ATOM 0 HE1 PHE A 63 -16.933 7.697 18.401 1.00 2.27 H new ATOM 0 HE2 PHE A 63 -19.776 5.567 15.970 1.00 1.45 H new ATOM 0 HZ PHE A 63 -19.259 6.919 17.990 1.00 0.92 H new ATOM 1037 N LYS A 64 -12.675 6.257 12.711 1.00 0.31 N ATOM 1038 CA LYS A 64 -11.223 6.405 12.727 1.00 0.36 C ATOM 1039 C LYS A 64 -10.669 5.852 11.416 1.00 0.37 C ATOM 1040 O LYS A 64 -11.296 4.982 10.815 1.00 0.38 O ATOM 1041 CB LYS A 64 -10.636 5.679 13.952 1.00 0.41 C ATOM 1042 CG LYS A 64 -10.718 4.149 13.854 1.00 1.26 C ATOM 1043 CD LYS A 64 -10.387 3.470 15.188 1.00 1.45 C ATOM 1044 CE LYS A 64 -11.514 3.713 16.199 1.00 2.75 C ATOM 1045 NZ LYS A 64 -11.405 2.842 17.386 1.00 3.15 N ATOM 0 H LYS A 64 -13.013 5.566 12.041 1.00 0.31 H new ATOM 0 HA LYS A 64 -10.941 7.455 12.810 1.00 0.36 H new ATOM 0 HB2 LYS A 64 -9.593 5.972 14.073 1.00 0.41 H new ATOM 0 HB3 LYS A 64 -11.165 6.007 14.847 1.00 0.41 H new ATOM 0 HG2 LYS A 64 -11.720 3.859 13.538 1.00 1.26 H new ATOM 0 HG3 LYS A 64 -10.028 3.797 13.087 1.00 1.26 H new ATOM 0 HD2 LYS A 64 -10.250 2.399 15.035 1.00 1.45 H new ATOM 0 HD3 LYS A 64 -9.447 3.859 15.579 1.00 1.45 H new ATOM 0 HE2 LYS A 64 -11.496 4.756 16.515 1.00 2.75 H new ATOM 0 HE3 LYS A 64 -12.475 3.543 15.714 1.00 2.75 H new ATOM 0 HZ1 LYS A 64 -12.285 2.895 17.937 1.00 3.15 H new ATOM 0 HZ2 LYS A 64 -11.245 1.860 17.083 1.00 3.15 H new ATOM 0 HZ3 LYS A 64 -10.608 3.157 17.976 1.00 3.15 H new ATOM 1059 N PRO A 65 -9.514 6.333 10.942 1.00 0.43 N ATOM 1060 CA PRO A 65 -8.953 5.845 9.699 1.00 0.46 C ATOM 1061 C PRO A 65 -8.430 4.419 9.900 1.00 0.38 C ATOM 1062 O PRO A 65 -8.126 4.020 11.025 1.00 0.40 O ATOM 1063 CB PRO A 65 -7.839 6.834 9.359 1.00 0.57 C ATOM 1064 CG PRO A 65 -7.360 7.311 10.729 1.00 0.56 C ATOM 1065 CD PRO A 65 -8.630 7.289 11.582 1.00 0.45 C ATOM 0 HA PRO A 65 -9.677 5.788 8.886 1.00 0.46 H new ATOM 0 HB2 PRO A 65 -7.036 6.357 8.796 1.00 0.57 H new ATOM 0 HB3 PRO A 65 -8.207 7.661 8.752 1.00 0.57 H new ATOM 0 HG2 PRO A 65 -6.592 6.654 11.136 1.00 0.56 H new ATOM 0 HG3 PRO A 65 -6.929 8.311 10.677 1.00 0.56 H new ATOM 0 HD2 PRO A 65 -8.408 6.992 12.607 1.00 0.45 H new ATOM 0 HD3 PRO A 65 -9.088 8.277 11.628 1.00 0.45 H new ATOM 1073 N PRO A 66 -8.318 3.639 8.818 1.00 0.31 N ATOM 1074 CA PRO A 66 -7.776 2.296 8.871 1.00 0.26 C ATOM 1075 C PRO A 66 -6.263 2.336 9.047 1.00 0.27 C ATOM 1076 O PRO A 66 -5.636 3.395 9.041 1.00 0.32 O ATOM 1077 CB PRO A 66 -8.155 1.664 7.534 1.00 0.28 C ATOM 1078 CG PRO A 66 -8.178 2.852 6.585 1.00 0.35 C ATOM 1079 CD PRO A 66 -8.663 4.009 7.459 1.00 0.37 C ATOM 0 HA PRO A 66 -8.168 1.726 9.713 1.00 0.26 H new ATOM 0 HB2 PRO A 66 -7.429 0.913 7.223 1.00 0.28 H new ATOM 0 HB3 PRO A 66 -9.125 1.168 7.583 1.00 0.28 H new ATOM 0 HG2 PRO A 66 -7.190 3.051 6.170 1.00 0.35 H new ATOM 0 HG3 PRO A 66 -8.848 2.678 5.743 1.00 0.35 H new ATOM 0 HD2 PRO A 66 -8.183 4.945 7.173 1.00 0.37 H new ATOM 0 HD3 PRO A 66 -9.738 4.157 7.353 1.00 0.37 H new ATOM 1087 N LYS A 67 -5.664 1.153 9.140 1.00 0.28 N ATOM 1088 CA LYS A 67 -4.220 0.984 9.170 1.00 0.28 C ATOM 1089 C LYS A 67 -3.846 0.088 8.004 1.00 0.29 C ATOM 1090 O LYS A 67 -4.700 -0.597 7.444 1.00 0.45 O ATOM 1091 CB LYS A 67 -3.806 0.381 10.521 1.00 0.36 C ATOM 1092 CG LYS A 67 -3.501 1.480 11.551 1.00 1.04 C ATOM 1093 CD LYS A 67 -1.998 1.807 11.645 1.00 0.94 C ATOM 1094 CE LYS A 67 -1.499 1.487 13.061 1.00 1.62 C ATOM 1095 NZ LYS A 67 -0.022 1.488 13.162 1.00 1.87 N ATOM 0 H LYS A 67 -6.178 0.274 9.197 1.00 0.28 H new ATOM 0 HA LYS A 67 -3.697 1.935 9.071 1.00 0.28 H new ATOM 0 HB2 LYS A 67 -4.604 -0.261 10.895 1.00 0.36 H new ATOM 0 HB3 LYS A 67 -2.927 -0.249 10.387 1.00 0.36 H new ATOM 0 HG2 LYS A 67 -4.049 2.384 11.285 1.00 1.04 H new ATOM 0 HG3 LYS A 67 -3.862 1.165 12.530 1.00 1.04 H new ATOM 0 HD2 LYS A 67 -1.441 1.226 10.910 1.00 0.94 H new ATOM 0 HD3 LYS A 67 -1.827 2.859 11.416 1.00 0.94 H new ATOM 0 HE2 LYS A 67 -1.907 2.218 13.759 1.00 1.62 H new ATOM 0 HE3 LYS A 67 -1.879 0.511 13.363 1.00 1.62 H new ATOM 0 HZ1 LYS A 67 0.259 1.266 14.138 1.00 1.87 H new ATOM 0 HZ2 LYS A 67 0.371 0.772 12.518 1.00 1.87 H new ATOM 0 HZ3 LYS A 67 0.343 2.426 12.901 1.00 1.87 H new ATOM 1109 N ILE A 68 -2.569 0.093 7.635 1.00 0.18 N ATOM 1110 CA ILE A 68 -2.044 -0.787 6.608 1.00 0.16 C ATOM 1111 C ILE A 68 -0.726 -1.312 7.151 1.00 0.17 C ATOM 1112 O ILE A 68 -0.043 -0.616 7.907 1.00 0.22 O ATOM 1113 CB ILE A 68 -1.841 -0.062 5.257 1.00 0.16 C ATOM 1114 CG1 ILE A 68 -2.828 1.100 5.043 1.00 0.21 C ATOM 1115 CG2 ILE A 68 -1.928 -1.062 4.093 1.00 0.19 C ATOM 1116 CD1 ILE A 68 -2.339 2.018 3.930 1.00 0.27 C ATOM 0 H ILE A 68 -1.870 0.712 8.045 1.00 0.18 H new ATOM 0 HA ILE A 68 -2.747 -1.593 6.396 1.00 0.16 H new ATOM 0 HB ILE A 68 -0.844 0.377 5.284 1.00 0.16 H new ATOM 0 HG12 ILE A 68 -3.813 0.707 4.791 1.00 0.21 H new ATOM 0 HG13 ILE A 68 -2.938 1.667 5.968 1.00 0.21 H new ATOM 0 HG21 ILE A 68 -1.783 -0.536 3.150 1.00 0.19 H new ATOM 0 HG22 ILE A 68 -1.155 -1.822 4.207 1.00 0.19 H new ATOM 0 HG23 ILE A 68 -2.908 -1.539 4.096 1.00 0.19 H new ATOM 0 HD11 ILE A 68 -3.049 2.834 3.793 1.00 0.27 H new ATOM 0 HD12 ILE A 68 -1.364 2.427 4.197 1.00 0.27 H new ATOM 0 HD13 ILE A 68 -2.253 1.452 3.003 1.00 0.27 H new ATOM 1128 N THR A 69 -0.350 -2.529 6.786 1.00 0.16 N ATOM 1129 CA THR A 69 0.969 -3.037 7.114 1.00 0.19 C ATOM 1130 C THR A 69 1.396 -3.955 5.976 1.00 0.18 C ATOM 1131 O THR A 69 0.667 -4.878 5.606 1.00 0.22 O ATOM 1132 CB THR A 69 0.930 -3.772 8.462 1.00 0.28 C ATOM 1133 OG1 THR A 69 0.237 -3.016 9.432 1.00 0.43 O ATOM 1134 CG2 THR A 69 2.340 -4.006 9.002 1.00 0.21 C ATOM 0 H THR A 69 -0.939 -3.179 6.265 1.00 0.16 H new ATOM 0 HA THR A 69 1.692 -2.228 7.220 1.00 0.19 H new ATOM 0 HB THR A 69 0.426 -4.721 8.282 1.00 0.28 H new ATOM 0 HG1 THR A 69 0.225 -3.506 10.281 1.00 0.43 H new ATOM 0 HG21 THR A 69 2.282 -4.528 9.957 1.00 0.21 H new ATOM 0 HG22 THR A 69 2.906 -4.610 8.292 1.00 0.21 H new ATOM 0 HG23 THR A 69 2.840 -3.047 9.142 1.00 0.21 H new ATOM 1142 N PHE A 70 2.556 -3.686 5.383 1.00 0.15 N ATOM 1143 CA PHE A 70 3.089 -4.530 4.333 1.00 0.16 C ATOM 1144 C PHE A 70 3.478 -5.863 4.958 1.00 0.19 C ATOM 1145 O PHE A 70 4.002 -5.913 6.069 1.00 0.26 O ATOM 1146 CB PHE A 70 4.286 -3.869 3.630 1.00 0.15 C ATOM 1147 CG PHE A 70 3.947 -2.717 2.693 1.00 0.14 C ATOM 1148 CD1 PHE A 70 3.085 -1.665 3.070 1.00 0.13 C ATOM 1149 CD2 PHE A 70 4.503 -2.711 1.400 1.00 0.18 C ATOM 1150 CE1 PHE A 70 2.818 -0.614 2.176 1.00 0.14 C ATOM 1151 CE2 PHE A 70 4.255 -1.650 0.514 1.00 0.19 C ATOM 1152 CZ PHE A 70 3.423 -0.592 0.911 1.00 0.16 C ATOM 0 H PHE A 70 3.142 -2.885 5.617 1.00 0.15 H new ATOM 0 HA PHE A 70 2.333 -4.686 3.563 1.00 0.16 H new ATOM 0 HB2 PHE A 70 4.975 -3.503 4.392 1.00 0.15 H new ATOM 0 HB3 PHE A 70 4.817 -4.632 3.061 1.00 0.15 H new ATOM 0 HD1 PHE A 70 2.629 -1.668 4.049 1.00 0.13 H new ATOM 0 HD2 PHE A 70 5.129 -3.533 1.085 1.00 0.18 H new ATOM 0 HE1 PHE A 70 2.144 0.180 2.464 1.00 0.14 H new ATOM 0 HE2 PHE A 70 4.703 -1.648 -0.469 1.00 0.19 H new ATOM 0 HZ PHE A 70 3.249 0.238 0.243 1.00 0.16 H new ATOM 1162 N LYS A 71 3.190 -6.955 4.255 1.00 0.25 N ATOM 1163 CA LYS A 71 3.614 -8.283 4.667 1.00 0.30 C ATOM 1164 C LYS A 71 5.019 -8.543 4.133 1.00 0.31 C ATOM 1165 O LYS A 71 5.822 -9.190 4.799 1.00 0.36 O ATOM 1166 CB LYS A 71 2.638 -9.338 4.136 1.00 0.36 C ATOM 1167 CG LYS A 71 1.165 -9.093 4.499 1.00 0.50 C ATOM 1168 CD LYS A 71 0.834 -9.250 5.989 1.00 0.75 C ATOM 1169 CE LYS A 71 0.989 -7.936 6.765 1.00 1.01 C ATOM 1170 NZ LYS A 71 0.310 -8.012 8.077 1.00 1.47 N ATOM 0 H LYS A 71 2.657 -6.941 3.386 1.00 0.25 H new ATOM 0 HA LYS A 71 3.622 -8.344 5.755 1.00 0.30 H new ATOM 0 HB2 LYS A 71 2.728 -9.382 3.051 1.00 0.36 H new ATOM 0 HB3 LYS A 71 2.935 -10.314 4.520 1.00 0.36 H new ATOM 0 HG2 LYS A 71 0.891 -8.086 4.185 1.00 0.50 H new ATOM 0 HG3 LYS A 71 0.545 -9.785 3.929 1.00 0.50 H new ATOM 0 HD2 LYS A 71 -0.188 -9.613 6.095 1.00 0.75 H new ATOM 0 HD3 LYS A 71 1.487 -10.006 6.426 1.00 0.75 H new ATOM 0 HE2 LYS A 71 2.047 -7.718 6.911 1.00 1.01 H new ATOM 0 HE3 LYS A 71 0.572 -7.114 6.183 1.00 1.01 H new ATOM 0 HZ1 LYS A 71 0.555 -7.175 8.644 1.00 1.47 H new ATOM 0 HZ2 LYS A 71 -0.720 -8.044 7.934 1.00 1.47 H new ATOM 0 HZ3 LYS A 71 0.616 -8.871 8.577 1.00 1.47 H new ATOM 1184 N THR A 72 5.314 -8.083 2.916 1.00 0.31 N ATOM 1185 CA THR A 72 6.642 -8.267 2.354 1.00 0.33 C ATOM 1186 C THR A 72 7.578 -7.191 2.896 1.00 0.41 C ATOM 1187 O THR A 72 7.122 -6.153 3.374 1.00 0.63 O ATOM 1188 CB THR A 72 6.566 -8.203 0.827 1.00 0.26 C ATOM 1189 OG1 THR A 72 5.861 -7.045 0.416 1.00 0.32 O ATOM 1190 CG2 THR A 72 5.829 -9.438 0.295 1.00 0.20 C ATOM 0 H THR A 72 4.658 -7.588 2.312 1.00 0.31 H new ATOM 0 HA THR A 72 7.033 -9.243 2.640 1.00 0.33 H new ATOM 0 HB THR A 72 7.582 -8.170 0.432 1.00 0.26 H new ATOM 0 HG1 THR A 72 6.484 -6.412 0.002 1.00 0.32 H new ATOM 0 HG21 THR A 72 5.776 -9.390 -0.793 1.00 0.20 H new ATOM 0 HG22 THR A 72 6.366 -10.339 0.593 1.00 0.20 H new ATOM 0 HG23 THR A 72 4.820 -9.465 0.706 1.00 0.20 H new ATOM 1198 N LYS A 73 8.891 -7.398 2.763 1.00 0.33 N ATOM 1199 CA LYS A 73 9.863 -6.358 3.059 1.00 0.33 C ATOM 1200 C LYS A 73 9.600 -5.134 2.196 1.00 0.45 C ATOM 1201 O LYS A 73 9.057 -5.237 1.094 1.00 0.87 O ATOM 1202 CB LYS A 73 11.294 -6.863 2.822 1.00 0.44 C ATOM 1203 CG LYS A 73 11.695 -8.008 3.754 1.00 0.95 C ATOM 1204 CD LYS A 73 11.425 -7.628 5.208 1.00 0.61 C ATOM 1205 CE LYS A 73 12.196 -8.552 6.153 1.00 0.70 C ATOM 1206 NZ LYS A 73 12.080 -8.102 7.557 1.00 1.72 N ATOM 0 H LYS A 73 9.299 -8.279 2.452 1.00 0.33 H new ATOM 0 HA LYS A 73 9.761 -6.087 4.110 1.00 0.33 H new ATOM 0 HB2 LYS A 73 11.388 -7.196 1.788 1.00 0.44 H new ATOM 0 HB3 LYS A 73 11.990 -6.035 2.955 1.00 0.44 H new ATOM 0 HG2 LYS A 73 11.136 -8.908 3.497 1.00 0.95 H new ATOM 0 HG3 LYS A 73 12.752 -8.240 3.622 1.00 0.95 H new ATOM 0 HD2 LYS A 73 11.720 -6.593 5.381 1.00 0.61 H new ATOM 0 HD3 LYS A 73 10.357 -7.694 5.416 1.00 0.61 H new ATOM 0 HE2 LYS A 73 11.815 -9.569 6.062 1.00 0.70 H new ATOM 0 HE3 LYS A 73 13.246 -8.578 5.863 1.00 0.70 H new ATOM 0 HZ1 LYS A 73 12.613 -8.748 8.174 1.00 1.72 H new ATOM 0 HZ2 LYS A 73 12.466 -7.141 7.646 1.00 1.72 H new ATOM 0 HZ3 LYS A 73 11.079 -8.101 7.840 1.00 1.72 H new ATOM 1220 N ILE A 74 10.030 -3.977 2.696 1.00 0.27 N ATOM 1221 CA ILE A 74 9.901 -2.707 2.018 1.00 0.25 C ATOM 1222 C ILE A 74 11.229 -1.979 2.148 1.00 0.25 C ATOM 1223 O ILE A 74 11.892 -2.104 3.173 1.00 0.42 O ATOM 1224 CB ILE A 74 8.750 -1.896 2.630 1.00 0.31 C ATOM 1225 CG1 ILE A 74 8.973 -1.499 4.098 1.00 0.37 C ATOM 1226 CG2 ILE A 74 7.467 -2.717 2.541 1.00 0.40 C ATOM 1227 CD1 ILE A 74 9.807 -0.221 4.269 1.00 0.39 C ATOM 0 H ILE A 74 10.487 -3.905 3.605 1.00 0.27 H new ATOM 0 HA ILE A 74 9.665 -2.849 0.963 1.00 0.25 H new ATOM 0 HB ILE A 74 8.688 -0.970 2.059 1.00 0.31 H new ATOM 0 HG12 ILE A 74 8.005 -1.358 4.579 1.00 0.37 H new ATOM 0 HG13 ILE A 74 9.470 -2.319 4.616 1.00 0.37 H new ATOM 0 HG21 ILE A 74 6.642 -2.151 2.973 1.00 0.40 H new ATOM 0 HG22 ILE A 74 7.248 -2.938 1.496 1.00 0.40 H new ATOM 0 HG23 ILE A 74 7.593 -3.650 3.090 1.00 0.40 H new ATOM 0 HD11 ILE A 74 9.924 -0.002 5.330 1.00 0.39 H new ATOM 0 HD12 ILE A 74 10.789 -0.364 3.818 1.00 0.39 H new ATOM 0 HD13 ILE A 74 9.301 0.612 3.780 1.00 0.39 H new ATOM 1239 N TYR A 75 11.591 -1.193 1.134 1.00 0.23 N ATOM 1240 CA TYR A 75 12.713 -0.264 1.212 1.00 0.34 C ATOM 1241 C TYR A 75 12.225 1.184 1.162 1.00 0.56 C ATOM 1242 O TYR A 75 13.010 2.112 1.319 1.00 1.17 O ATOM 1243 CB TYR A 75 13.700 -0.544 0.065 1.00 0.38 C ATOM 1244 CG TYR A 75 15.061 -1.009 0.531 1.00 0.74 C ATOM 1245 CD1 TYR A 75 15.628 -2.175 -0.009 1.00 2.05 C ATOM 1246 CD2 TYR A 75 15.780 -0.255 1.475 1.00 1.94 C ATOM 1247 CE1 TYR A 75 16.909 -2.588 0.390 1.00 2.49 C ATOM 1248 CE2 TYR A 75 17.058 -0.668 1.890 1.00 2.25 C ATOM 1249 CZ TYR A 75 17.635 -1.832 1.336 1.00 1.95 C ATOM 1250 OH TYR A 75 18.910 -2.185 1.655 1.00 2.54 O ATOM 0 H TYR A 75 11.111 -1.184 0.234 1.00 0.23 H new ATOM 0 HA TYR A 75 13.224 -0.411 2.163 1.00 0.34 H new ATOM 0 HB2 TYR A 75 13.273 -1.301 -0.592 1.00 0.38 H new ATOM 0 HB3 TYR A 75 13.820 0.362 -0.528 1.00 0.38 H new ATOM 0 HD1 TYR A 75 15.077 -2.756 -0.734 1.00 2.05 H new ATOM 0 HD2 TYR A 75 15.348 0.647 1.884 1.00 1.94 H new ATOM 0 HE1 TYR A 75 17.340 -3.486 -0.028 1.00 2.49 H new ATOM 0 HE2 TYR A 75 17.597 -0.096 2.631 1.00 2.25 H new ATOM 0 HH TYR A 75 19.424 -2.331 0.834 1.00 2.54 H new ATOM 1260 N HIS A 76 10.934 1.398 0.904 1.00 0.25 N ATOM 1261 CA HIS A 76 10.396 2.714 0.615 1.00 0.24 C ATOM 1262 C HIS A 76 10.269 3.497 1.911 1.00 0.20 C ATOM 1263 O HIS A 76 9.701 2.969 2.859 1.00 0.24 O ATOM 1264 CB HIS A 76 9.008 2.559 -0.013 1.00 0.31 C ATOM 1265 CG HIS A 76 9.018 1.819 -1.325 1.00 0.49 C ATOM 1266 ND1 HIS A 76 9.163 2.406 -2.551 1.00 0.70 N flip ATOM 1267 CD2 HIS A 76 8.842 0.456 -1.511 1.00 1.00 C flip ATOM 1268 CE1 HIS A 76 9.082 1.398 -3.486 1.00 0.98 C flip ATOM 1269 NE2 HIS A 76 8.921 0.225 -2.835 1.00 1.24 N flip ATOM 0 H HIS A 76 10.235 0.655 0.891 1.00 0.25 H new ATOM 0 HA HIS A 76 11.058 3.241 -0.072 1.00 0.24 H new ATOM 0 HB2 HIS A 76 8.359 2.032 0.687 1.00 0.31 H new ATOM 0 HB3 HIS A 76 8.576 3.548 -0.167 1.00 0.31 H new ATOM 0 HD2 HIS A 76 8.673 -0.281 -0.740 1.00 1.00 H new ATOM 0 HE1 HIS A 76 9.138 1.524 -4.557 1.00 0.98 H new ATOM 0 HE2 HIS A 76 8.868 -0.692 -3.278 1.00 1.24 H new ATOM 1278 N PRO A 77 10.682 4.770 1.933 1.00 0.19 N ATOM 1279 CA PRO A 77 10.648 5.599 3.128 1.00 0.16 C ATOM 1280 C PRO A 77 9.225 5.869 3.598 1.00 0.15 C ATOM 1281 O PRO A 77 8.997 6.205 4.754 1.00 0.15 O ATOM 1282 CB PRO A 77 11.335 6.896 2.715 1.00 0.18 C ATOM 1283 CG PRO A 77 11.063 6.996 1.217 1.00 0.21 C ATOM 1284 CD PRO A 77 11.148 5.534 0.787 1.00 0.22 C ATOM 0 HA PRO A 77 11.141 5.108 3.967 1.00 0.16 H new ATOM 0 HB2 PRO A 77 10.928 7.752 3.253 1.00 0.18 H new ATOM 0 HB3 PRO A 77 12.404 6.866 2.926 1.00 0.18 H new ATOM 0 HG2 PRO A 77 10.085 7.428 1.007 1.00 0.21 H new ATOM 0 HG3 PRO A 77 11.801 7.616 0.708 1.00 0.21 H new ATOM 0 HD2 PRO A 77 10.529 5.345 -0.090 1.00 0.22 H new ATOM 0 HD3 PRO A 77 12.169 5.261 0.521 1.00 0.22 H new ATOM 1292 N ASN A 78 8.260 5.789 2.685 1.00 0.17 N ATOM 1293 CA ASN A 78 6.861 6.046 2.981 1.00 0.18 C ATOM 1294 C ASN A 78 6.248 4.979 3.882 1.00 0.17 C ATOM 1295 O ASN A 78 5.172 5.199 4.436 1.00 0.22 O ATOM 1296 CB ASN A 78 6.114 6.147 1.654 1.00 0.29 C ATOM 1297 CG ASN A 78 6.510 7.453 0.996 1.00 0.86 C ATOM 1298 OD1 ASN A 78 5.939 8.547 1.467 1.00 1.22 O flip ATOM 1299 ND2 ASN A 78 7.368 7.503 0.125 1.00 2.59 N flip ATOM 0 H ASN A 78 8.433 5.541 1.711 1.00 0.17 H new ATOM 0 HA ASN A 78 6.779 6.980 3.537 1.00 0.18 H new ATOM 0 HB2 ASN A 78 6.364 5.304 1.010 1.00 0.29 H new ATOM 0 HB3 ASN A 78 5.037 6.114 1.819 1.00 0.29 H new ATOM 0 HD21 ASN A 78 7.794 6.643 -0.222 1.00 2.59 H new ATOM 0 HD22 ASN A 78 7.658 8.404 -0.254 1.00 2.59 H new ATOM 1306 N ILE A 79 6.914 3.834 4.011 1.00 0.14 N ATOM 1307 CA ILE A 79 6.530 2.726 4.855 1.00 0.15 C ATOM 1308 C ILE A 79 7.718 2.505 5.811 1.00 0.15 C ATOM 1309 O ILE A 79 8.796 3.058 5.606 1.00 0.18 O ATOM 1310 CB ILE A 79 6.181 1.541 3.926 1.00 0.16 C ATOM 1311 CG1 ILE A 79 5.118 1.962 2.886 1.00 0.19 C ATOM 1312 CG2 ILE A 79 5.640 0.309 4.669 1.00 0.22 C ATOM 1313 CD1 ILE A 79 5.595 1.840 1.435 1.00 0.38 C ATOM 0 H ILE A 79 7.778 3.654 3.500 1.00 0.14 H new ATOM 0 HA ILE A 79 5.645 2.882 5.471 1.00 0.15 H new ATOM 0 HB ILE A 79 7.122 1.266 3.450 1.00 0.16 H new ATOM 0 HG12 ILE A 79 4.228 1.347 3.020 1.00 0.19 H new ATOM 0 HG13 ILE A 79 4.824 2.994 3.077 1.00 0.19 H new ATOM 0 HG21 ILE A 79 5.418 -0.480 3.951 1.00 0.22 H new ATOM 0 HG22 ILE A 79 6.388 -0.046 5.378 1.00 0.22 H new ATOM 0 HG23 ILE A 79 4.730 0.578 5.205 1.00 0.22 H new ATOM 0 HD11 ILE A 79 4.797 2.152 0.762 1.00 0.38 H new ATOM 0 HD12 ILE A 79 6.467 2.477 1.284 1.00 0.38 H new ATOM 0 HD13 ILE A 79 5.861 0.804 1.225 1.00 0.38 H new ATOM 1325 N ASP A 80 7.526 1.744 6.881 1.00 0.18 N ATOM 1326 CA ASP A 80 8.533 1.432 7.884 1.00 0.20 C ATOM 1327 C ASP A 80 9.024 0.010 7.654 1.00 0.20 C ATOM 1328 O ASP A 80 8.355 -0.775 6.984 1.00 0.23 O ATOM 1329 CB ASP A 80 7.845 1.495 9.243 1.00 0.26 C ATOM 1330 CG ASP A 80 8.731 1.060 10.399 1.00 0.35 C ATOM 1331 OD1 ASP A 80 8.345 0.058 11.046 1.00 2.02 O ATOM 1332 OD2 ASP A 80 9.771 1.709 10.610 1.00 1.95 O ATOM 0 H ASP A 80 6.625 1.309 7.081 1.00 0.18 H new ATOM 0 HA ASP A 80 9.372 2.126 7.832 1.00 0.20 H new ATOM 0 HB2 ASP A 80 7.506 2.515 9.421 1.00 0.26 H new ATOM 0 HB3 ASP A 80 6.957 0.863 9.220 1.00 0.26 H new ATOM 1337 N GLU A 81 10.149 -0.367 8.254 1.00 0.22 N ATOM 1338 CA GLU A 81 10.707 -1.703 8.110 1.00 0.26 C ATOM 1339 C GLU A 81 9.715 -2.779 8.566 1.00 0.26 C ATOM 1340 O GLU A 81 9.696 -3.876 8.007 1.00 0.35 O ATOM 1341 CB GLU A 81 12.033 -1.834 8.873 1.00 0.32 C ATOM 1342 CG GLU A 81 13.237 -1.220 8.132 1.00 0.81 C ATOM 1343 CD GLU A 81 13.476 0.270 8.396 1.00 2.69 C ATOM 1344 OE1 GLU A 81 12.501 1.010 8.630 1.00 3.87 O ATOM 1345 OE2 GLU A 81 14.655 0.685 8.369 1.00 3.67 O ATOM 0 H GLU A 81 10.699 0.248 8.854 1.00 0.22 H new ATOM 0 HA GLU A 81 10.905 -1.858 7.050 1.00 0.26 H new ATOM 0 HB2 GLU A 81 11.932 -1.352 9.845 1.00 0.32 H new ATOM 0 HB3 GLU A 81 12.232 -2.889 9.060 1.00 0.32 H new ATOM 0 HG2 GLU A 81 14.135 -1.771 8.412 1.00 0.81 H new ATOM 0 HG3 GLU A 81 13.096 -1.365 7.061 1.00 0.81 H new ATOM 1352 N LYS A 82 8.858 -2.487 9.551 1.00 0.22 N ATOM 1353 CA LYS A 82 7.801 -3.406 9.975 1.00 0.24 C ATOM 1354 C LYS A 82 6.535 -3.206 9.136 1.00 0.22 C ATOM 1355 O LYS A 82 5.429 -3.414 9.622 1.00 0.30 O ATOM 1356 CB LYS A 82 7.545 -3.195 11.477 1.00 0.32 C ATOM 1357 CG LYS A 82 8.583 -3.960 12.305 1.00 0.90 C ATOM 1358 CD LYS A 82 9.136 -3.109 13.450 1.00 1.18 C ATOM 1359 CE LYS A 82 10.191 -3.931 14.201 1.00 1.95 C ATOM 1360 NZ LYS A 82 9.758 -4.298 15.566 1.00 2.05 N ATOM 0 H LYS A 82 8.879 -1.611 10.073 1.00 0.22 H new ATOM 0 HA LYS A 82 8.113 -4.438 9.815 1.00 0.24 H new ATOM 0 HB2 LYS A 82 7.591 -2.132 11.715 1.00 0.32 H new ATOM 0 HB3 LYS A 82 6.542 -3.536 11.734 1.00 0.32 H new ATOM 0 HG2 LYS A 82 8.129 -4.864 12.711 1.00 0.90 H new ATOM 0 HG3 LYS A 82 9.402 -4.276 11.659 1.00 0.90 H new ATOM 0 HD2 LYS A 82 9.577 -2.191 13.061 1.00 1.18 H new ATOM 0 HD3 LYS A 82 8.333 -2.815 14.126 1.00 1.18 H new ATOM 0 HE2 LYS A 82 10.409 -4.838 13.637 1.00 1.95 H new ATOM 0 HE3 LYS A 82 11.118 -3.360 14.259 1.00 1.95 H new ATOM 0 HZ1 LYS A 82 10.506 -4.852 16.030 1.00 2.05 H new ATOM 0 HZ2 LYS A 82 9.575 -3.435 16.116 1.00 2.05 H new ATOM 0 HZ3 LYS A 82 8.888 -4.866 15.513 1.00 2.05 H new ATOM 1374 N GLY A 83 6.669 -2.780 7.879 1.00 0.20 N ATOM 1375 CA GLY A 83 5.560 -2.582 6.964 1.00 0.19 C ATOM 1376 C GLY A 83 4.599 -1.460 7.365 1.00 0.18 C ATOM 1377 O GLY A 83 3.626 -1.240 6.649 1.00 0.17 O ATOM 0 H GLY A 83 7.575 -2.560 7.466 1.00 0.20 H new ATOM 0 HA2 GLY A 83 5.958 -2.366 5.972 1.00 0.19 H new ATOM 0 HA3 GLY A 83 4.999 -3.513 6.886 1.00 0.19 H new ATOM 1381 N GLN A 84 4.817 -0.769 8.486 1.00 0.22 N ATOM 1382 CA GLN A 84 3.888 0.234 8.987 1.00 0.24 C ATOM 1383 C GLN A 84 3.796 1.400 8.012 1.00 0.18 C ATOM 1384 O GLN A 84 4.736 1.675 7.279 1.00 0.25 O ATOM 1385 CB GLN A 84 4.343 0.764 10.350 1.00 0.32 C ATOM 1386 CG GLN A 84 4.505 -0.332 11.404 1.00 0.64 C ATOM 1387 CD GLN A 84 4.897 0.292 12.736 1.00 1.05 C ATOM 1388 OE1 GLN A 84 4.033 0.617 13.545 1.00 1.23 O ATOM 1389 NE2 GLN A 84 6.188 0.500 12.971 1.00 1.66 N ATOM 0 H GLN A 84 5.645 -0.893 9.069 1.00 0.22 H new ATOM 0 HA GLN A 84 2.911 -0.238 9.092 1.00 0.24 H new ATOM 0 HB2 GLN A 84 5.292 1.286 10.230 1.00 0.32 H new ATOM 0 HB3 GLN A 84 3.619 1.497 10.707 1.00 0.32 H new ATOM 0 HG2 GLN A 84 3.573 -0.887 11.512 1.00 0.64 H new ATOM 0 HG3 GLN A 84 5.266 -1.045 11.087 1.00 0.64 H new ATOM 0 HE21 GLN A 84 6.884 0.219 12.280 1.00 1.66 H new ATOM 0 HE22 GLN A 84 6.483 0.940 13.842 1.00 1.66 H new ATOM 1398 N VAL A 85 2.688 2.130 8.031 1.00 0.20 N ATOM 1399 CA VAL A 85 2.461 3.212 7.088 1.00 0.15 C ATOM 1400 C VAL A 85 2.146 4.499 7.840 1.00 0.18 C ATOM 1401 O VAL A 85 1.556 4.452 8.919 1.00 0.23 O ATOM 1402 CB VAL A 85 1.321 2.812 6.147 1.00 0.23 C ATOM 1403 CG1 VAL A 85 1.706 1.560 5.351 1.00 0.27 C ATOM 1404 CG2 VAL A 85 0.018 2.588 6.921 1.00 0.34 C ATOM 0 H VAL A 85 1.928 1.989 8.696 1.00 0.20 H new ATOM 0 HA VAL A 85 3.356 3.393 6.493 1.00 0.15 H new ATOM 0 HB VAL A 85 1.152 3.630 5.447 1.00 0.23 H new ATOM 0 HG11 VAL A 85 0.887 1.286 4.686 1.00 0.27 H new ATOM 0 HG12 VAL A 85 2.600 1.764 4.761 1.00 0.27 H new ATOM 0 HG13 VAL A 85 1.905 0.738 6.039 1.00 0.27 H new ATOM 0 HG21 VAL A 85 -0.773 2.305 6.227 1.00 0.34 H new ATOM 0 HG22 VAL A 85 0.161 1.792 7.652 1.00 0.34 H new ATOM 0 HG23 VAL A 85 -0.262 3.507 7.436 1.00 0.34 H new ATOM 1414 N CYS A 86 2.518 5.649 7.273 1.00 0.18 N ATOM 1415 CA CYS A 86 2.086 6.938 7.786 1.00 0.22 C ATOM 1416 C CYS A 86 1.830 7.871 6.600 1.00 0.21 C ATOM 1417 O CYS A 86 2.711 8.641 6.223 1.00 0.29 O ATOM 1418 CB CYS A 86 3.138 7.494 8.750 1.00 0.28 C ATOM 1419 SG CYS A 86 2.376 8.716 9.849 1.00 0.40 S ATOM 0 H CYS A 86 3.122 5.707 6.453 1.00 0.18 H new ATOM 0 HA CYS A 86 1.159 6.841 8.351 1.00 0.22 H new ATOM 0 HB2 CYS A 86 3.572 6.684 9.336 1.00 0.28 H new ATOM 0 HB3 CYS A 86 3.952 7.953 8.189 1.00 0.28 H new ATOM 0 HG CYS A 86 3.272 9.183 10.666 1.00 0.40 H new ATOM 1425 N LEU A 87 0.652 7.778 5.971 1.00 0.17 N ATOM 1426 CA LEU A 87 0.292 8.604 4.826 1.00 0.18 C ATOM 1427 C LEU A 87 -0.903 9.473 5.206 1.00 0.20 C ATOM 1428 O LEU A 87 -1.750 9.040 5.987 1.00 0.19 O ATOM 1429 CB LEU A 87 -0.097 7.738 3.619 1.00 0.18 C ATOM 1430 CG LEU A 87 0.998 6.862 3.003 1.00 0.18 C ATOM 1431 CD1 LEU A 87 2.340 7.583 2.896 1.00 0.22 C ATOM 1432 CD2 LEU A 87 1.186 5.537 3.732 1.00 0.18 C ATOM 0 H LEU A 87 -0.078 7.122 6.248 1.00 0.17 H new ATOM 0 HA LEU A 87 1.152 9.216 4.555 1.00 0.18 H new ATOM 0 HB2 LEU A 87 -0.919 7.089 3.920 1.00 0.18 H new ATOM 0 HB3 LEU A 87 -0.480 8.397 2.840 1.00 0.18 H new ATOM 0 HG LEU A 87 0.641 6.645 1.996 1.00 0.18 H new ATOM 0 HD11 LEU A 87 3.078 6.914 2.453 1.00 0.22 H new ATOM 0 HD12 LEU A 87 2.229 8.468 2.269 1.00 0.22 H new ATOM 0 HD13 LEU A 87 2.672 7.882 3.890 1.00 0.22 H new ATOM 0 HD21 LEU A 87 1.976 4.963 3.246 1.00 0.18 H new ATOM 0 HD22 LEU A 87 1.462 5.728 4.769 1.00 0.18 H new ATOM 0 HD23 LEU A 87 0.255 4.970 3.703 1.00 0.18 H new ATOM 1444 N PRO A 88 -1.040 10.663 4.603 1.00 0.24 N ATOM 1445 CA PRO A 88 -2.111 11.591 4.927 1.00 0.27 C ATOM 1446 C PRO A 88 -3.500 11.058 4.567 1.00 0.36 C ATOM 1447 O PRO A 88 -4.500 11.587 5.038 1.00 0.62 O ATOM 1448 CB PRO A 88 -1.773 12.888 4.194 1.00 0.28 C ATOM 1449 CG PRO A 88 -0.901 12.427 3.029 1.00 0.28 C ATOM 1450 CD PRO A 88 -0.140 11.242 3.622 1.00 0.27 C ATOM 0 HA PRO A 88 -2.169 11.749 6.004 1.00 0.27 H new ATOM 0 HB2 PRO A 88 -2.672 13.397 3.845 1.00 0.28 H new ATOM 0 HB3 PRO A 88 -1.242 13.587 4.840 1.00 0.28 H new ATOM 0 HG2 PRO A 88 -1.500 12.132 2.167 1.00 0.28 H new ATOM 0 HG3 PRO A 88 -0.226 13.214 2.693 1.00 0.28 H new ATOM 0 HD2 PRO A 88 0.122 10.517 2.851 1.00 0.27 H new ATOM 0 HD3 PRO A 88 0.792 11.565 4.085 1.00 0.27 H new ATOM 1458 N VAL A 89 -3.601 9.997 3.768 1.00 0.25 N ATOM 1459 CA VAL A 89 -4.892 9.388 3.467 1.00 0.22 C ATOM 1460 C VAL A 89 -5.522 8.749 4.706 1.00 0.19 C ATOM 1461 O VAL A 89 -6.744 8.640 4.780 1.00 0.22 O ATOM 1462 CB VAL A 89 -4.772 8.385 2.306 1.00 0.20 C ATOM 1463 CG1 VAL A 89 -4.551 9.162 1.004 1.00 0.24 C ATOM 1464 CG2 VAL A 89 -3.623 7.388 2.502 1.00 0.20 C ATOM 0 H VAL A 89 -2.805 9.543 3.319 1.00 0.25 H new ATOM 0 HA VAL A 89 -5.565 10.184 3.147 1.00 0.22 H new ATOM 0 HB VAL A 89 -5.696 7.808 2.269 1.00 0.20 H new ATOM 0 HG11 VAL A 89 -4.464 8.462 0.173 1.00 0.24 H new ATOM 0 HG12 VAL A 89 -5.396 9.829 0.830 1.00 0.24 H new ATOM 0 HG13 VAL A 89 -3.636 9.749 1.081 1.00 0.24 H new ATOM 0 HG21 VAL A 89 -3.585 6.705 1.653 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -2.680 7.929 2.574 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -3.786 6.820 3.418 1.00 0.20 H new ATOM 1474 N ILE A 90 -4.700 8.312 5.665 1.00 0.18 N ATOM 1475 CA ILE A 90 -5.147 7.647 6.885 1.00 0.19 C ATOM 1476 C ILE A 90 -4.516 8.279 8.127 1.00 0.20 C ATOM 1477 O ILE A 90 -4.564 7.709 9.214 1.00 0.28 O ATOM 1478 CB ILE A 90 -4.857 6.140 6.778 1.00 0.18 C ATOM 1479 CG1 ILE A 90 -3.351 5.878 6.591 1.00 0.16 C ATOM 1480 CG2 ILE A 90 -5.680 5.583 5.606 1.00 0.18 C ATOM 1481 CD1 ILE A 90 -3.036 4.391 6.455 1.00 0.18 C ATOM 0 H ILE A 90 -3.687 8.414 5.611 1.00 0.18 H new ATOM 0 HA ILE A 90 -6.223 7.779 6.996 1.00 0.19 H new ATOM 0 HB ILE A 90 -5.144 5.634 7.700 1.00 0.18 H new ATOM 0 HG12 ILE A 90 -3.000 6.404 5.703 1.00 0.16 H new ATOM 0 HG13 ILE A 90 -2.805 6.287 7.441 1.00 0.16 H new ATOM 0 HG21 ILE A 90 -5.494 4.514 5.506 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -6.741 5.751 5.794 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -5.390 6.089 4.685 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -1.962 4.257 6.325 1.00 0.18 H new ATOM 0 HD12 ILE A 90 -3.361 3.867 7.353 1.00 0.18 H new ATOM 0 HD13 ILE A 90 -3.559 3.986 5.589 1.00 0.18 H new ATOM 1493 N SER A 91 -3.920 9.460 7.978 1.00 0.21 N ATOM 1494 CA SER A 91 -3.353 10.195 9.095 1.00 0.25 C ATOM 1495 C SER A 91 -4.481 10.628 10.031 1.00 0.29 C ATOM 1496 O SER A 91 -5.572 10.954 9.571 1.00 0.38 O ATOM 1497 CB SER A 91 -2.609 11.389 8.504 1.00 0.32 C ATOM 1498 OG SER A 91 -2.359 12.416 9.439 1.00 0.53 O ATOM 0 H SER A 91 -3.819 9.930 7.078 1.00 0.21 H new ATOM 0 HA SER A 91 -2.661 9.591 9.682 1.00 0.25 H new ATOM 0 HB2 SER A 91 -1.661 11.047 8.090 1.00 0.32 H new ATOM 0 HB3 SER A 91 -3.190 11.796 7.676 1.00 0.32 H new ATOM 0 HG SER A 91 -2.438 13.287 8.997 1.00 0.53 H new ATOM 1504 N ALA A 92 -4.223 10.670 11.343 1.00 0.31 N ATOM 1505 CA ALA A 92 -5.210 11.099 12.328 1.00 0.35 C ATOM 1506 C ALA A 92 -5.635 12.545 12.067 1.00 0.38 C ATOM 1507 O ALA A 92 -6.822 12.841 11.983 1.00 0.41 O ATOM 1508 CB ALA A 92 -4.636 10.940 13.739 1.00 0.42 C ATOM 0 H ALA A 92 -3.324 10.407 11.747 1.00 0.31 H new ATOM 0 HA ALA A 92 -6.097 10.471 12.241 1.00 0.35 H new ATOM 0 HB1 ALA A 92 -5.376 11.262 14.471 1.00 0.42 H new ATOM 0 HB2 ALA A 92 -4.384 9.894 13.913 1.00 0.42 H new ATOM 0 HB3 ALA A 92 -3.739 11.551 13.838 1.00 0.42 H new ATOM 1514 N GLU A 93 -4.661 13.437 11.876 1.00 0.41 N ATOM 1515 CA GLU A 93 -4.880 14.845 11.535 1.00 0.51 C ATOM 1516 C GLU A 93 -5.595 15.004 10.192 1.00 0.51 C ATOM 1517 O GLU A 93 -6.005 16.100 9.814 1.00 0.82 O ATOM 1518 CB GLU A 93 -3.516 15.553 11.489 1.00 0.62 C ATOM 1519 CG GLU A 93 -3.146 16.137 12.855 1.00 0.99 C ATOM 1520 CD GLU A 93 -3.814 17.497 13.056 1.00 2.13 C ATOM 1521 OE1 GLU A 93 -3.106 18.513 12.883 1.00 2.73 O ATOM 1522 OE2 GLU A 93 -5.027 17.493 13.358 1.00 3.51 O ATOM 0 H GLU A 93 -3.673 13.195 11.956 1.00 0.41 H new ATOM 0 HA GLU A 93 -5.521 15.292 12.295 1.00 0.51 H new ATOM 0 HB2 GLU A 93 -2.748 14.847 11.173 1.00 0.62 H new ATOM 0 HB3 GLU A 93 -3.542 16.350 10.746 1.00 0.62 H new ATOM 0 HG2 GLU A 93 -3.456 15.453 13.645 1.00 0.99 H new ATOM 0 HG3 GLU A 93 -2.064 16.242 12.931 1.00 0.99 H new ATOM 1529 N ASN A 94 -5.702 13.934 9.405 1.00 0.38 N ATOM 1530 CA ASN A 94 -6.324 13.987 8.097 1.00 0.39 C ATOM 1531 C ASN A 94 -7.460 12.971 7.991 1.00 0.40 C ATOM 1532 O ASN A 94 -7.925 12.705 6.882 1.00 0.56 O ATOM 1533 CB ASN A 94 -5.254 13.752 7.032 1.00 0.50 C ATOM 1534 CG ASN A 94 -3.986 14.587 7.219 1.00 1.28 C ATOM 1535 OD1 ASN A 94 -2.876 14.090 7.057 1.00 3.09 O ATOM 1536 ND2 ASN A 94 -4.104 15.854 7.598 1.00 0.71 N ATOM 0 H ASN A 94 -5.358 13.009 9.663 1.00 0.38 H new ATOM 0 HA ASN A 94 -6.768 14.970 7.941 1.00 0.39 H new ATOM 0 HB2 ASN A 94 -4.983 12.696 7.033 1.00 0.50 H new ATOM 0 HB3 ASN A 94 -5.679 13.972 6.052 1.00 0.50 H new ATOM 0 HD21 ASN A 94 -3.270 16.419 7.756 1.00 0.71 H new ATOM 0 HD22 ASN A 94 -5.029 16.262 7.731 1.00 0.71 H new ATOM 1543 N TRP A 95 -7.919 12.428 9.122 1.00 0.35 N ATOM 1544 CA TRP A 95 -8.962 11.418 9.191 1.00 0.34 C ATOM 1545 C TRP A 95 -10.224 11.967 8.542 1.00 0.35 C ATOM 1546 O TRP A 95 -10.841 12.908 9.039 1.00 0.44 O ATOM 1547 CB TRP A 95 -9.209 11.034 10.655 1.00 0.37 C ATOM 1548 CG TRP A 95 -10.551 10.442 10.983 1.00 0.38 C ATOM 1549 CD1 TRP A 95 -11.179 9.425 10.344 1.00 0.37 C ATOM 1550 CD2 TRP A 95 -11.472 10.888 12.022 1.00 0.43 C ATOM 1551 NE1 TRP A 95 -12.427 9.228 10.906 1.00 0.40 N ATOM 1552 CE2 TRP A 95 -12.668 10.121 11.931 1.00 0.43 C ATOM 1553 CE3 TRP A 95 -11.416 11.882 13.022 1.00 0.53 C ATOM 1554 CZ2 TRP A 95 -13.763 10.352 12.777 1.00 0.49 C ATOM 1555 CZ3 TRP A 95 -12.501 12.106 13.890 1.00 0.60 C ATOM 1556 CH2 TRP A 95 -13.675 11.345 13.765 1.00 0.58 C ATOM 0 H TRP A 95 -7.560 12.692 10.039 1.00 0.35 H new ATOM 0 HA TRP A 95 -8.657 10.519 8.655 1.00 0.34 H new ATOM 0 HB2 TRP A 95 -8.441 10.321 10.953 1.00 0.37 H new ATOM 0 HB3 TRP A 95 -9.072 11.925 11.268 1.00 0.37 H new ATOM 0 HD1 TRP A 95 -10.768 8.856 9.523 1.00 0.37 H new ATOM 0 HE1 TRP A 95 -13.087 8.512 10.601 1.00 0.40 H new ATOM 0 HE3 TRP A 95 -10.524 12.482 13.123 1.00 0.53 H new ATOM 0 HZ2 TRP A 95 -14.667 9.770 12.669 1.00 0.49 H new ATOM 0 HZ3 TRP A 95 -12.431 12.865 14.655 1.00 0.60 H new ATOM 0 HH2 TRP A 95 -14.509 11.524 14.428 1.00 0.58 H new ATOM 1567 N LYS A 96 -10.605 11.384 7.408 1.00 0.35 N ATOM 1568 CA LYS A 96 -11.793 11.764 6.669 1.00 0.39 C ATOM 1569 C LYS A 96 -12.642 10.508 6.574 1.00 0.34 C ATOM 1570 O LYS A 96 -12.204 9.554 5.941 1.00 0.32 O ATOM 1571 CB LYS A 96 -11.395 12.283 5.273 1.00 0.47 C ATOM 1572 CG LYS A 96 -11.502 13.809 5.159 1.00 0.68 C ATOM 1573 CD LYS A 96 -10.649 14.553 6.196 1.00 0.98 C ATOM 1574 CE LYS A 96 -9.619 15.492 5.567 1.00 1.39 C ATOM 1575 NZ LYS A 96 -8.574 14.733 4.843 1.00 2.67 N ATOM 0 H LYS A 96 -10.084 10.622 6.974 1.00 0.35 H new ATOM 0 HA LYS A 96 -12.346 12.566 7.158 1.00 0.39 H new ATOM 0 HB2 LYS A 96 -10.372 11.977 5.053 1.00 0.47 H new ATOM 0 HB3 LYS A 96 -12.035 11.820 4.521 1.00 0.47 H new ATOM 0 HG2 LYS A 96 -11.195 14.115 4.159 1.00 0.68 H new ATOM 0 HG3 LYS A 96 -12.545 14.104 5.277 1.00 0.68 H new ATOM 0 HD2 LYS A 96 -11.304 15.129 6.850 1.00 0.98 H new ATOM 0 HD3 LYS A 96 -10.133 13.825 6.822 1.00 0.98 H new ATOM 0 HE2 LYS A 96 -10.118 16.175 4.880 1.00 1.39 H new ATOM 0 HE3 LYS A 96 -9.157 16.102 6.343 1.00 1.39 H new ATOM 0 HZ1 LYS A 96 -7.787 15.369 4.602 1.00 2.67 H new ATOM 0 HZ2 LYS A 96 -8.224 13.962 5.447 1.00 2.67 H new ATOM 0 HZ3 LYS A 96 -8.976 14.334 3.971 1.00 2.67 H new ATOM 1589 N PRO A 97 -13.859 10.487 7.129 1.00 0.37 N ATOM 1590 CA PRO A 97 -14.765 9.359 6.972 1.00 0.40 C ATOM 1591 C PRO A 97 -15.306 9.257 5.540 1.00 0.44 C ATOM 1592 O PRO A 97 -15.922 8.259 5.172 1.00 0.63 O ATOM 1593 CB PRO A 97 -15.867 9.598 8.006 1.00 0.44 C ATOM 1594 CG PRO A 97 -15.909 11.119 8.142 1.00 0.45 C ATOM 1595 CD PRO A 97 -14.448 11.525 7.956 1.00 0.41 C ATOM 0 HA PRO A 97 -14.267 8.403 7.137 1.00 0.40 H new ATOM 0 HB2 PRO A 97 -16.824 9.199 7.671 1.00 0.44 H new ATOM 0 HB3 PRO A 97 -15.636 9.117 8.956 1.00 0.44 H new ATOM 0 HG2 PRO A 97 -16.552 11.573 7.389 1.00 0.45 H new ATOM 0 HG3 PRO A 97 -16.292 11.426 9.115 1.00 0.45 H new ATOM 0 HD2 PRO A 97 -14.370 12.501 7.476 1.00 0.41 H new ATOM 0 HD3 PRO A 97 -13.936 11.600 8.916 1.00 0.41 H new ATOM 1603 N ALA A 98 -15.070 10.276 4.711 1.00 0.42 N ATOM 1604 CA ALA A 98 -15.325 10.202 3.283 1.00 0.45 C ATOM 1605 C ALA A 98 -14.249 9.393 2.552 1.00 0.40 C ATOM 1606 O ALA A 98 -14.495 8.936 1.439 1.00 0.49 O ATOM 1607 CB ALA A 98 -15.376 11.623 2.724 1.00 0.54 C ATOM 0 H ALA A 98 -14.696 11.174 5.018 1.00 0.42 H new ATOM 0 HA ALA A 98 -16.276 9.692 3.125 1.00 0.45 H new ATOM 0 HB1 ALA A 98 -15.567 11.585 1.652 1.00 0.54 H new ATOM 0 HB2 ALA A 98 -16.174 12.179 3.215 1.00 0.54 H new ATOM 0 HB3 ALA A 98 -14.423 12.120 2.906 1.00 0.54 H new ATOM 1613 N THR A 99 -13.047 9.255 3.124 1.00 0.35 N ATOM 1614 CA THR A 99 -11.980 8.509 2.477 1.00 0.35 C ATOM 1615 C THR A 99 -12.333 7.031 2.474 1.00 0.36 C ATOM 1616 O THR A 99 -13.088 6.557 3.327 1.00 0.50 O ATOM 1617 CB THR A 99 -10.622 8.763 3.153 1.00 0.37 C ATOM 1618 OG1 THR A 99 -9.627 8.708 2.161 1.00 0.41 O ATOM 1619 CG2 THR A 99 -10.234 7.739 4.226 1.00 0.37 C ATOM 0 H THR A 99 -12.797 9.651 4.030 1.00 0.35 H new ATOM 0 HA THR A 99 -11.883 8.853 1.447 1.00 0.35 H new ATOM 0 HB THR A 99 -10.708 9.731 3.647 1.00 0.37 H new ATOM 0 HG1 THR A 99 -8.750 8.869 2.568 1.00 0.41 H new ATOM 0 HG21 THR A 99 -9.262 8.001 4.645 1.00 0.37 H new ATOM 0 HG22 THR A 99 -10.983 7.740 5.018 1.00 0.37 H new ATOM 0 HG23 THR A 99 -10.180 6.746 3.779 1.00 0.37 H new ATOM 1627 N LYS A 100 -11.763 6.285 1.531 1.00 0.30 N ATOM 1628 CA LYS A 100 -12.000 4.861 1.431 1.00 0.28 C ATOM 1629 C LYS A 100 -10.748 4.187 0.893 1.00 0.21 C ATOM 1630 O LYS A 100 -9.712 4.814 0.686 1.00 0.20 O ATOM 1631 CB LYS A 100 -13.187 4.575 0.500 1.00 0.38 C ATOM 1632 CG LYS A 100 -14.516 5.258 0.843 1.00 1.52 C ATOM 1633 CD LYS A 100 -15.173 4.694 2.104 1.00 2.86 C ATOM 1634 CE LYS A 100 -16.143 3.543 1.804 1.00 3.64 C ATOM 1635 NZ LYS A 100 -15.462 2.330 1.309 1.00 5.08 N ATOM 0 H LYS A 100 -11.129 6.654 0.822 1.00 0.30 H new ATOM 0 HA LYS A 100 -12.238 4.468 2.419 1.00 0.28 H new ATOM 0 HB2 LYS A 100 -12.905 4.870 -0.511 1.00 0.38 H new ATOM 0 HB3 LYS A 100 -13.353 3.498 0.483 1.00 0.38 H new ATOM 0 HG2 LYS A 100 -14.345 6.326 0.977 1.00 1.52 H new ATOM 0 HG3 LYS A 100 -15.202 5.148 0.003 1.00 1.52 H new ATOM 0 HD2 LYS A 100 -14.399 4.342 2.786 1.00 2.86 H new ATOM 0 HD3 LYS A 100 -15.710 5.492 2.616 1.00 2.86 H new ATOM 0 HE2 LYS A 100 -16.698 3.298 2.709 1.00 3.64 H new ATOM 0 HE3 LYS A 100 -16.871 3.872 1.063 1.00 3.64 H new ATOM 0 HZ1 LYS A 100 -16.122 1.527 1.333 1.00 5.08 H new ATOM 0 HZ2 LYS A 100 -15.142 2.486 0.332 1.00 5.08 H new ATOM 0 HZ3 LYS A 100 -14.642 2.121 1.913 1.00 5.08 H new ATOM 1649 N THR A 101 -10.845 2.881 0.685 1.00 0.22 N ATOM 1650 CA THR A 101 -9.769 2.045 0.208 1.00 0.22 C ATOM 1651 C THR A 101 -9.270 2.423 -1.174 1.00 0.21 C ATOM 1652 O THR A 101 -8.139 2.085 -1.493 1.00 0.30 O ATOM 1653 CB THR A 101 -10.257 0.607 0.162 1.00 0.27 C ATOM 1654 OG1 THR A 101 -11.626 0.610 -0.214 1.00 0.46 O ATOM 1655 CG2 THR A 101 -10.134 -0.052 1.530 1.00 0.37 C ATOM 0 H THR A 101 -11.708 2.363 0.852 1.00 0.22 H new ATOM 0 HA THR A 101 -8.936 2.179 0.898 1.00 0.22 H new ATOM 0 HB THR A 101 -9.651 0.051 -0.553 1.00 0.27 H new ATOM 0 HG1 THR A 101 -12.005 -0.284 -0.078 1.00 0.46 H new ATOM 0 HG21 THR A 101 -10.490 -1.081 1.472 1.00 0.37 H new ATOM 0 HG22 THR A 101 -9.090 -0.046 1.844 1.00 0.37 H new ATOM 0 HG23 THR A 101 -10.734 0.499 2.254 1.00 0.37 H new ATOM 1663 N ASP A 102 -10.072 3.083 -2.007 1.00 0.19 N ATOM 1664 CA ASP A 102 -9.559 3.618 -3.262 1.00 0.20 C ATOM 1665 C ASP A 102 -8.445 4.614 -2.946 1.00 0.18 C ATOM 1666 O ASP A 102 -7.353 4.521 -3.500 1.00 0.25 O ATOM 1667 CB ASP A 102 -10.684 4.234 -4.108 1.00 0.26 C ATOM 1668 CG ASP A 102 -11.276 5.491 -3.471 1.00 0.99 C ATOM 1669 OD1 ASP A 102 -11.490 5.433 -2.240 1.00 2.15 O ATOM 1670 OD2 ASP A 102 -11.461 6.496 -4.187 1.00 1.84 O ATOM 0 H ASP A 102 -11.063 3.257 -1.839 1.00 0.19 H new ATOM 0 HA ASP A 102 -9.143 2.814 -3.869 1.00 0.20 H new ATOM 0 HB2 ASP A 102 -10.297 4.480 -5.097 1.00 0.26 H new ATOM 0 HB3 ASP A 102 -11.474 3.496 -4.249 1.00 0.26 H new ATOM 1675 N GLN A 103 -8.691 5.511 -1.991 1.00 0.15 N ATOM 1676 CA GLN A 103 -7.739 6.522 -1.578 1.00 0.15 C ATOM 1677 C GLN A 103 -6.554 5.878 -0.877 1.00 0.18 C ATOM 1678 O GLN A 103 -5.421 6.328 -1.039 1.00 0.26 O ATOM 1679 CB GLN A 103 -8.417 7.600 -0.726 1.00 0.18 C ATOM 1680 CG GLN A 103 -9.655 8.108 -1.477 1.00 0.20 C ATOM 1681 CD GLN A 103 -10.194 9.444 -0.981 1.00 0.29 C ATOM 1682 OE1 GLN A 103 -9.462 10.327 -0.548 1.00 1.08 O ATOM 1683 NE2 GLN A 103 -11.509 9.616 -1.056 1.00 1.38 N ATOM 0 H GLN A 103 -9.573 5.550 -1.480 1.00 0.15 H new ATOM 0 HA GLN A 103 -7.352 7.027 -2.463 1.00 0.15 H new ATOM 0 HB2 GLN A 103 -8.703 7.192 0.243 1.00 0.18 H new ATOM 0 HB3 GLN A 103 -7.727 8.421 -0.535 1.00 0.18 H new ATOM 0 HG2 GLN A 103 -9.409 8.200 -2.535 1.00 0.20 H new ATOM 0 HG3 GLN A 103 -10.444 7.361 -1.397 1.00 0.20 H new ATOM 0 HE21 GLN A 103 -12.101 8.869 -1.419 1.00 1.38 H new ATOM 0 HE22 GLN A 103 -11.927 10.495 -0.750 1.00 1.38 H new ATOM 1692 N VAL A 104 -6.779 4.812 -0.106 1.00 0.15 N ATOM 1693 CA VAL A 104 -5.668 4.168 0.571 1.00 0.17 C ATOM 1694 C VAL A 104 -4.743 3.524 -0.458 1.00 0.18 C ATOM 1695 O VAL A 104 -3.550 3.819 -0.492 1.00 0.20 O ATOM 1696 CB VAL A 104 -6.185 3.181 1.625 1.00 0.18 C ATOM 1697 CG1 VAL A 104 -5.001 2.466 2.261 1.00 0.17 C ATOM 1698 CG2 VAL A 104 -6.948 3.935 2.715 1.00 0.21 C ATOM 0 H VAL A 104 -7.694 4.392 0.058 1.00 0.15 H new ATOM 0 HA VAL A 104 -5.077 4.908 1.111 1.00 0.17 H new ATOM 0 HB VAL A 104 -6.850 2.461 1.147 1.00 0.18 H new ATOM 0 HG11 VAL A 104 -5.361 1.762 3.012 1.00 0.17 H new ATOM 0 HG12 VAL A 104 -4.447 1.926 1.493 1.00 0.17 H new ATOM 0 HG13 VAL A 104 -4.346 3.197 2.734 1.00 0.17 H new ATOM 0 HG21 VAL A 104 -7.312 3.228 3.460 1.00 0.21 H new ATOM 0 HG22 VAL A 104 -6.283 4.655 3.193 1.00 0.21 H new ATOM 0 HG23 VAL A 104 -7.793 4.461 2.270 1.00 0.21 H new ATOM 1708 N ILE A 105 -5.287 2.650 -1.299 1.00 0.19 N ATOM 1709 CA ILE A 105 -4.533 1.881 -2.272 1.00 0.22 C ATOM 1710 C ILE A 105 -3.799 2.818 -3.211 1.00 0.20 C ATOM 1711 O ILE A 105 -2.586 2.689 -3.367 1.00 0.19 O ATOM 1712 CB ILE A 105 -5.460 0.886 -2.990 1.00 0.22 C ATOM 1713 CG1 ILE A 105 -5.734 -0.295 -2.048 1.00 0.22 C ATOM 1714 CG2 ILE A 105 -4.914 0.365 -4.325 1.00 0.22 C ATOM 1715 CD1 ILE A 105 -4.463 -1.001 -1.537 1.00 0.21 C ATOM 0 H ILE A 105 -6.288 2.455 -1.320 1.00 0.19 H new ATOM 0 HA ILE A 105 -3.770 1.282 -1.775 1.00 0.22 H new ATOM 0 HB ILE A 105 -6.374 1.427 -3.236 1.00 0.22 H new ATOM 0 HG12 ILE A 105 -6.307 0.062 -1.192 1.00 0.22 H new ATOM 0 HG13 ILE A 105 -6.357 -1.023 -2.567 1.00 0.22 H new ATOM 0 HG21 ILE A 105 -5.629 -0.330 -4.764 1.00 0.22 H new ATOM 0 HG22 ILE A 105 -4.757 1.202 -5.005 1.00 0.22 H new ATOM 0 HG23 ILE A 105 -3.967 -0.147 -4.156 1.00 0.22 H new ATOM 0 HD11 ILE A 105 -4.743 -1.823 -0.878 1.00 0.21 H new ATOM 0 HD12 ILE A 105 -3.898 -1.391 -2.384 1.00 0.21 H new ATOM 0 HD13 ILE A 105 -3.847 -0.289 -0.987 1.00 0.21 H new ATOM 1727 N GLN A 106 -4.514 3.772 -3.810 1.00 0.19 N ATOM 1728 CA GLN A 106 -3.873 4.734 -4.693 1.00 0.18 C ATOM 1729 C GLN A 106 -2.738 5.451 -3.968 1.00 0.15 C ATOM 1730 O GLN A 106 -1.754 5.779 -4.611 1.00 0.17 O ATOM 1731 CB GLN A 106 -4.863 5.720 -5.329 1.00 0.24 C ATOM 1732 CG GLN A 106 -5.227 6.882 -4.402 1.00 0.64 C ATOM 1733 CD GLN A 106 -6.209 7.841 -5.056 1.00 1.86 C ATOM 1734 OE1 GLN A 106 -7.403 7.810 -4.800 1.00 3.38 O ATOM 1735 NE2 GLN A 106 -5.716 8.725 -5.914 1.00 2.85 N ATOM 0 H GLN A 106 -5.521 3.895 -3.700 1.00 0.19 H new ATOM 0 HA GLN A 106 -3.448 4.173 -5.525 1.00 0.18 H new ATOM 0 HB2 GLN A 106 -4.432 6.117 -6.248 1.00 0.24 H new ATOM 0 HB3 GLN A 106 -5.771 5.186 -5.607 1.00 0.24 H new ATOM 0 HG2 GLN A 106 -5.660 6.490 -3.481 1.00 0.64 H new ATOM 0 HG3 GLN A 106 -4.322 7.422 -4.124 1.00 0.64 H new ATOM 0 HE21 GLN A 106 -4.716 8.737 -6.116 1.00 2.85 H new ATOM 0 HE22 GLN A 106 -6.337 9.393 -6.371 1.00 2.85 H new ATOM 1744 N SER A 107 -2.849 5.704 -2.659 1.00 0.14 N ATOM 1745 CA SER A 107 -1.765 6.283 -1.888 1.00 0.14 C ATOM 1746 C SER A 107 -0.562 5.355 -1.899 1.00 0.14 C ATOM 1747 O SER A 107 0.519 5.802 -2.254 1.00 0.16 O ATOM 1748 CB SER A 107 -2.167 6.572 -0.442 1.00 0.16 C ATOM 1749 OG SER A 107 -1.371 7.617 0.087 1.00 0.42 O ATOM 0 H SER A 107 -3.691 5.511 -2.116 1.00 0.14 H new ATOM 0 HA SER A 107 -1.512 7.233 -2.359 1.00 0.14 H new ATOM 0 HB2 SER A 107 -3.220 6.849 -0.398 1.00 0.16 H new ATOM 0 HB3 SER A 107 -2.049 5.673 0.163 1.00 0.16 H new ATOM 0 HG SER A 107 -1.136 7.411 1.016 1.00 0.42 H new ATOM 1755 N LEU A 108 -0.692 4.090 -1.483 1.00 0.13 N ATOM 1756 CA LEU A 108 0.499 3.252 -1.423 1.00 0.12 C ATOM 1757 C LEU A 108 1.146 3.201 -2.786 1.00 0.14 C ATOM 1758 O LEU A 108 2.350 3.335 -2.873 1.00 0.16 O ATOM 1759 CB LEU A 108 0.243 1.801 -1.025 1.00 0.12 C ATOM 1760 CG LEU A 108 -0.202 1.550 0.415 1.00 0.15 C ATOM 1761 CD1 LEU A 108 0.450 2.495 1.426 1.00 0.13 C ATOM 1762 CD2 LEU A 108 -1.720 1.580 0.530 1.00 0.26 C ATOM 0 H LEU A 108 -1.565 3.646 -1.197 1.00 0.13 H new ATOM 0 HA LEU A 108 1.123 3.711 -0.656 1.00 0.12 H new ATOM 0 HB2 LEU A 108 -0.518 1.395 -1.691 1.00 0.12 H new ATOM 0 HB3 LEU A 108 1.157 1.234 -1.202 1.00 0.12 H new ATOM 0 HG LEU A 108 0.147 0.550 0.672 1.00 0.15 H new ATOM 0 HD11 LEU A 108 0.089 2.261 2.428 1.00 0.13 H new ATOM 0 HD12 LEU A 108 1.533 2.373 1.392 1.00 0.13 H new ATOM 0 HD13 LEU A 108 0.193 3.525 1.179 1.00 0.13 H new ATOM 0 HD21 LEU A 108 -2.010 1.399 1.565 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -2.090 2.556 0.215 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -2.149 0.807 -0.108 1.00 0.26 H new ATOM 1774 N ILE A 109 0.378 3.008 -3.846 1.00 0.15 N ATOM 1775 CA ILE A 109 0.935 2.971 -5.184 1.00 0.16 C ATOM 1776 C ILE A 109 1.638 4.289 -5.486 1.00 0.17 C ATOM 1777 O ILE A 109 2.751 4.293 -5.995 1.00 0.23 O ATOM 1778 CB ILE A 109 -0.199 2.673 -6.160 1.00 0.17 C ATOM 1779 CG1 ILE A 109 -0.627 1.217 -5.929 1.00 0.15 C ATOM 1780 CG2 ILE A 109 0.251 2.854 -7.609 1.00 0.19 C ATOM 1781 CD1 ILE A 109 -2.087 1.030 -6.298 1.00 0.16 C ATOM 0 H ILE A 109 -0.632 2.875 -3.804 1.00 0.15 H new ATOM 0 HA ILE A 109 1.686 2.187 -5.280 1.00 0.16 H new ATOM 0 HB ILE A 109 -1.025 3.363 -5.988 1.00 0.17 H new ATOM 0 HG12 ILE A 109 -0.006 0.550 -6.526 1.00 0.15 H new ATOM 0 HG13 ILE A 109 -0.472 0.947 -4.884 1.00 0.15 H new ATOM 0 HG21 ILE A 109 -0.581 2.634 -8.278 1.00 0.19 H new ATOM 0 HG22 ILE A 109 0.578 3.882 -7.763 1.00 0.19 H new ATOM 0 HG23 ILE A 109 1.077 2.175 -7.821 1.00 0.19 H new ATOM 0 HD11 ILE A 109 -2.375 -0.008 -6.129 1.00 0.16 H new ATOM 0 HD12 ILE A 109 -2.705 1.683 -5.682 1.00 0.16 H new ATOM 0 HD13 ILE A 109 -2.231 1.280 -7.349 1.00 0.16 H new ATOM 1793 N ALA A 110 0.992 5.405 -5.163 1.00 0.15 N ATOM 1794 CA ALA A 110 1.489 6.741 -5.418 1.00 0.16 C ATOM 1795 C ALA A 110 2.840 6.951 -4.743 1.00 0.15 C ATOM 1796 O ALA A 110 3.686 7.625 -5.307 1.00 0.16 O ATOM 1797 CB ALA A 110 0.452 7.776 -4.962 1.00 0.17 C ATOM 0 H ALA A 110 0.082 5.398 -4.703 1.00 0.15 H new ATOM 0 HA ALA A 110 1.645 6.870 -6.489 1.00 0.16 H new ATOM 0 HB1 ALA A 110 0.830 8.780 -5.156 1.00 0.17 H new ATOM 0 HB2 ALA A 110 -0.477 7.626 -5.511 1.00 0.17 H new ATOM 0 HB3 ALA A 110 0.266 7.658 -3.895 1.00 0.17 H new ATOM 1803 N LEU A 111 3.058 6.390 -3.554 1.00 0.16 N ATOM 1804 CA LEU A 111 4.279 6.576 -2.778 1.00 0.19 C ATOM 1805 C LEU A 111 5.362 5.557 -3.147 1.00 0.23 C ATOM 1806 O LEU A 111 6.531 5.888 -3.299 1.00 0.42 O ATOM 1807 CB LEU A 111 3.926 6.459 -1.287 1.00 0.23 C ATOM 1808 CG LEU A 111 3.362 7.736 -0.629 1.00 0.23 C ATOM 1809 CD1 LEU A 111 3.804 9.043 -1.280 1.00 0.31 C ATOM 1810 CD2 LEU A 111 1.839 7.747 -0.555 1.00 0.31 C ATOM 0 H LEU A 111 2.378 5.783 -3.097 1.00 0.16 H new ATOM 0 HA LEU A 111 4.687 7.562 -3.002 1.00 0.19 H new ATOM 0 HB2 LEU A 111 3.196 5.658 -1.167 1.00 0.23 H new ATOM 0 HB3 LEU A 111 4.821 6.158 -0.743 1.00 0.23 H new ATOM 0 HG LEU A 111 3.790 7.691 0.373 1.00 0.23 H new ATOM 0 HD11 LEU A 111 3.357 9.883 -0.749 1.00 0.31 H new ATOM 0 HD12 LEU A 111 4.890 9.122 -1.236 1.00 0.31 H new ATOM 0 HD13 LEU A 111 3.481 9.059 -2.321 1.00 0.31 H new ATOM 0 HD21 LEU A 111 1.504 8.670 -0.082 1.00 0.31 H new ATOM 0 HD22 LEU A 111 1.425 7.684 -1.561 1.00 0.31 H new ATOM 0 HD23 LEU A 111 1.497 6.895 0.032 1.00 0.31 H new ATOM 1822 N VAL A 112 4.986 4.289 -3.239 1.00 0.24 N ATOM 1823 CA VAL A 112 5.828 3.165 -3.621 1.00 0.26 C ATOM 1824 C VAL A 112 6.430 3.443 -5.001 1.00 0.29 C ATOM 1825 O VAL A 112 7.595 3.108 -5.235 1.00 0.35 O ATOM 1826 CB VAL A 112 4.977 1.877 -3.568 1.00 0.23 C ATOM 1827 CG1 VAL A 112 5.680 0.618 -4.075 1.00 0.30 C ATOM 1828 CG2 VAL A 112 4.582 1.549 -2.118 1.00 0.24 C ATOM 0 H VAL A 112 4.029 4.001 -3.037 1.00 0.24 H new ATOM 0 HA VAL A 112 6.664 3.029 -2.935 1.00 0.26 H new ATOM 0 HB VAL A 112 4.130 2.105 -4.215 1.00 0.23 H new ATOM 0 HG11 VAL A 112 5.003 -0.233 -3.998 1.00 0.30 H new ATOM 0 HG12 VAL A 112 5.970 0.758 -5.116 1.00 0.30 H new ATOM 0 HG13 VAL A 112 6.569 0.430 -3.473 1.00 0.30 H new ATOM 0 HG21 VAL A 112 3.983 0.639 -2.101 1.00 0.24 H new ATOM 0 HG22 VAL A 112 5.482 1.403 -1.520 1.00 0.24 H new ATOM 0 HG23 VAL A 112 4.001 2.373 -1.704 1.00 0.24 H new ATOM 1838 N ASN A 113 5.638 4.049 -5.893 1.00 0.30 N ATOM 1839 CA ASN A 113 6.067 4.511 -7.204 1.00 0.31 C ATOM 1840 C ASN A 113 6.805 5.840 -7.074 1.00 0.30 C ATOM 1841 O ASN A 113 7.932 5.962 -7.544 1.00 0.35 O ATOM 1842 CB ASN A 113 4.876 4.655 -8.175 1.00 0.36 C ATOM 1843 CG ASN A 113 4.305 3.304 -8.595 1.00 1.24 C ATOM 1844 OD1 ASN A 113 4.896 2.269 -8.310 1.00 2.61 O ATOM 1845 ND2 ASN A 113 3.206 3.285 -9.340 1.00 1.52 N ATOM 0 H ASN A 113 4.652 4.234 -5.710 1.00 0.30 H new ATOM 0 HA ASN A 113 6.742 3.762 -7.618 1.00 0.31 H new ATOM 0 HB2 ASN A 113 4.093 5.246 -7.701 1.00 0.36 H new ATOM 0 HB3 ASN A 113 5.197 5.203 -9.061 1.00 0.36 H new ATOM 0 HD21 ASN A 113 2.840 2.398 -9.686 1.00 1.52 H new ATOM 0 HD22 ASN A 113 2.728 4.157 -9.566 1.00 1.52 H new ATOM 1852 N ASP A 114 6.164 6.832 -6.457 1.00 0.29 N ATOM 1853 CA ASP A 114 6.604 8.224 -6.443 1.00 0.36 C ATOM 1854 C ASP A 114 6.749 8.688 -4.985 1.00 0.32 C ATOM 1855 O ASP A 114 5.875 9.342 -4.418 1.00 0.28 O ATOM 1856 CB ASP A 114 5.634 9.076 -7.286 1.00 0.51 C ATOM 1857 CG ASP A 114 6.257 9.425 -8.635 1.00 1.80 C ATOM 1858 OD1 ASP A 114 6.768 10.561 -8.751 1.00 1.95 O ATOM 1859 OD2 ASP A 114 6.233 8.541 -9.526 1.00 3.48 O ATOM 0 H ASP A 114 5.299 6.683 -5.938 1.00 0.29 H new ATOM 0 HA ASP A 114 7.585 8.340 -6.903 1.00 0.36 H new ATOM 0 HB2 ASP A 114 4.703 8.531 -7.440 1.00 0.51 H new ATOM 0 HB3 ASP A 114 5.383 9.990 -6.748 1.00 0.51 H new ATOM 1864 N PRO A 115 7.856 8.316 -4.330 1.00 0.32 N ATOM 1865 CA PRO A 115 8.037 8.540 -2.904 1.00 0.29 C ATOM 1866 C PRO A 115 8.343 10.007 -2.609 1.00 0.29 C ATOM 1867 O PRO A 115 8.947 10.705 -3.421 1.00 0.45 O ATOM 1868 CB PRO A 115 9.200 7.626 -2.502 1.00 0.36 C ATOM 1869 CG PRO A 115 10.011 7.511 -3.790 1.00 0.43 C ATOM 1870 CD PRO A 115 8.934 7.509 -4.870 1.00 0.39 C ATOM 0 HA PRO A 115 7.135 8.313 -2.337 1.00 0.29 H new ATOM 0 HB2 PRO A 115 9.789 8.056 -1.692 1.00 0.36 H new ATOM 0 HB3 PRO A 115 8.848 6.653 -2.159 1.00 0.36 H new ATOM 0 HG2 PRO A 115 10.701 8.346 -3.909 1.00 0.43 H new ATOM 0 HG3 PRO A 115 10.607 6.599 -3.812 1.00 0.43 H new ATOM 0 HD2 PRO A 115 9.311 7.928 -5.803 1.00 0.39 H new ATOM 0 HD3 PRO A 115 8.597 6.496 -5.089 1.00 0.39 H new ATOM 1878 N GLN A 116 7.980 10.465 -1.407 1.00 0.23 N ATOM 1879 CA GLN A 116 8.185 11.852 -0.992 1.00 0.26 C ATOM 1880 C GLN A 116 9.277 11.917 0.082 1.00 0.26 C ATOM 1881 O GLN A 116 8.990 11.689 1.254 1.00 0.32 O ATOM 1882 CB GLN A 116 6.864 12.503 -0.521 1.00 0.34 C ATOM 1883 CG GLN A 116 6.033 11.628 0.428 1.00 1.77 C ATOM 1884 CD GLN A 116 4.823 12.336 1.032 1.00 1.96 C ATOM 1885 OE1 GLN A 116 4.174 13.154 0.397 1.00 1.92 O ATOM 1886 NE2 GLN A 116 4.465 11.999 2.267 1.00 2.73 N ATOM 0 H GLN A 116 7.536 9.883 -0.696 1.00 0.23 H new ATOM 0 HA GLN A 116 8.522 12.431 -1.852 1.00 0.26 H new ATOM 0 HB2 GLN A 116 7.094 13.444 -0.021 1.00 0.34 H new ATOM 0 HB3 GLN A 116 6.260 12.746 -1.395 1.00 0.34 H new ATOM 0 HG2 GLN A 116 5.691 10.747 -0.114 1.00 1.77 H new ATOM 0 HG3 GLN A 116 6.675 11.276 1.236 1.00 1.77 H new ATOM 0 HE21 GLN A 116 5.014 11.315 2.788 1.00 2.73 H new ATOM 0 HE22 GLN A 116 3.642 12.424 2.693 1.00 2.73 H new ATOM 1895 N PRO A 117 10.526 12.272 -0.262 1.00 0.28 N ATOM 1896 CA PRO A 117 11.589 12.448 0.721 1.00 0.28 C ATOM 1897 C PRO A 117 11.443 13.747 1.528 1.00 0.36 C ATOM 1898 O PRO A 117 12.311 14.048 2.337 1.00 0.61 O ATOM 1899 CB PRO A 117 12.896 12.399 -0.080 1.00 0.34 C ATOM 1900 CG PRO A 117 12.475 12.959 -1.439 1.00 0.42 C ATOM 1901 CD PRO A 117 11.039 12.457 -1.609 1.00 0.34 C ATOM 0 HA PRO A 117 11.557 11.665 1.479 1.00 0.28 H new ATOM 0 HB2 PRO A 117 13.678 13.002 0.382 1.00 0.34 H new ATOM 0 HB3 PRO A 117 13.283 11.383 -0.162 1.00 0.34 H new ATOM 0 HG2 PRO A 117 12.523 14.048 -1.456 1.00 0.42 H new ATOM 0 HG3 PRO A 117 13.122 12.599 -2.239 1.00 0.42 H new ATOM 0 HD2 PRO A 117 10.436 13.176 -2.163 1.00 0.34 H new ATOM 0 HD3 PRO A 117 11.015 11.522 -2.169 1.00 0.34 H new ATOM 1909 N GLU A 118 10.352 14.502 1.348 1.00 0.34 N ATOM 1910 CA GLU A 118 10.066 15.720 2.098 1.00 0.41 C ATOM 1911 C GLU A 118 9.964 15.411 3.593 1.00 0.36 C ATOM 1912 O GLU A 118 10.689 15.982 4.404 1.00 0.52 O ATOM 1913 CB GLU A 118 8.768 16.356 1.563 1.00 0.48 C ATOM 1914 CG GLU A 118 9.026 17.789 1.090 1.00 2.00 C ATOM 1915 CD GLU A 118 7.778 18.438 0.488 1.00 2.31 C ATOM 1916 OE1 GLU A 118 7.050 17.723 -0.234 1.00 2.67 O ATOM 1917 OE2 GLU A 118 7.590 19.651 0.733 1.00 3.18 O ATOM 0 H GLU A 118 9.632 14.274 0.662 1.00 0.34 H new ATOM 0 HA GLU A 118 10.880 16.433 1.966 1.00 0.41 H new ATOM 0 HB2 GLU A 118 8.377 15.760 0.738 1.00 0.48 H new ATOM 0 HB3 GLU A 118 8.008 16.356 2.344 1.00 0.48 H new ATOM 0 HG2 GLU A 118 9.375 18.389 1.931 1.00 2.00 H new ATOM 0 HG3 GLU A 118 9.824 17.786 0.348 1.00 2.00 H new ATOM 1924 N HIS A 119 9.051 14.511 3.961 1.00 0.26 N ATOM 1925 CA HIS A 119 8.874 14.072 5.339 1.00 0.27 C ATOM 1926 C HIS A 119 8.094 12.749 5.359 1.00 0.29 C ATOM 1927 O HIS A 119 6.911 12.713 5.699 1.00 0.43 O ATOM 1928 CB HIS A 119 8.184 15.179 6.153 1.00 0.32 C ATOM 1929 CG HIS A 119 7.037 15.845 5.433 1.00 0.85 C ATOM 1930 ND1 HIS A 119 5.904 15.216 4.972 1.00 2.11 N ATOM 1931 CD2 HIS A 119 6.979 17.153 5.041 1.00 1.48 C ATOM 1932 CE1 HIS A 119 5.180 16.132 4.305 1.00 2.39 C ATOM 1933 NE2 HIS A 119 5.786 17.329 4.336 1.00 1.88 N ATOM 0 H HIS A 119 8.411 14.065 3.304 1.00 0.26 H new ATOM 0 HA HIS A 119 9.841 13.887 5.806 1.00 0.27 H new ATOM 0 HB2 HIS A 119 7.816 14.754 7.087 1.00 0.32 H new ATOM 0 HB3 HIS A 119 8.923 15.936 6.417 1.00 0.32 H new ATOM 0 HD1 HIS A 119 5.658 14.236 5.111 1.00 2.11 H new ATOM 0 HD2 HIS A 119 7.721 17.912 5.240 1.00 1.48 H new ATOM 0 HE1 HIS A 119 4.240 15.932 3.812 1.00 2.39 H new ATOM 1941 N PRO A 120 8.732 11.651 4.942 1.00 0.21 N ATOM 1942 CA PRO A 120 8.145 10.322 4.967 1.00 0.20 C ATOM 1943 C PRO A 120 8.373 9.659 6.335 1.00 0.20 C ATOM 1944 O PRO A 120 8.885 10.291 7.256 1.00 0.28 O ATOM 1945 CB PRO A 120 8.873 9.595 3.843 1.00 0.18 C ATOM 1946 CG PRO A 120 10.281 10.178 3.926 1.00 0.19 C ATOM 1947 CD PRO A 120 10.051 11.627 4.337 1.00 0.20 C ATOM 0 HA PRO A 120 7.064 10.315 4.825 1.00 0.20 H new ATOM 0 HB2 PRO A 120 8.872 8.515 3.991 1.00 0.18 H new ATOM 0 HB3 PRO A 120 8.413 9.784 2.873 1.00 0.18 H new ATOM 0 HG2 PRO A 120 10.891 9.647 4.657 1.00 0.19 H new ATOM 0 HG3 PRO A 120 10.799 10.111 2.969 1.00 0.19 H new ATOM 0 HD2 PRO A 120 10.813 11.961 5.042 1.00 0.20 H new ATOM 0 HD3 PRO A 120 10.100 12.292 3.475 1.00 0.20 H new ATOM 1955 N LEU A 121 8.007 8.379 6.469 1.00 0.17 N ATOM 1956 CA LEU A 121 8.142 7.618 7.713 1.00 0.17 C ATOM 1957 C LEU A 121 9.604 7.552 8.128 1.00 0.21 C ATOM 1958 O LEU A 121 9.973 7.943 9.232 1.00 0.33 O ATOM 1959 CB LEU A 121 7.570 6.196 7.537 1.00 0.15 C ATOM 1960 CG LEU A 121 6.389 5.955 8.477 1.00 0.21 C ATOM 1961 CD1 LEU A 121 5.606 4.724 8.030 1.00 0.53 C ATOM 1962 CD2 LEU A 121 6.844 5.763 9.923 1.00 0.48 C ATOM 0 H LEU A 121 7.603 7.837 5.705 1.00 0.17 H new ATOM 0 HA LEU A 121 7.577 8.123 8.496 1.00 0.17 H new ATOM 0 HB2 LEU A 121 7.251 6.055 6.504 1.00 0.15 H new ATOM 0 HB3 LEU A 121 8.350 5.460 7.733 1.00 0.15 H new ATOM 0 HG LEU A 121 5.753 6.839 8.433 1.00 0.21 H new ATOM 0 HD11 LEU A 121 4.767 4.561 8.706 1.00 0.53 H new ATOM 0 HD12 LEU A 121 5.232 4.879 7.018 1.00 0.53 H new ATOM 0 HD13 LEU A 121 6.259 3.852 8.046 1.00 0.53 H new ATOM 0 HD21 LEU A 121 5.975 5.594 10.559 1.00 0.48 H new ATOM 0 HD22 LEU A 121 7.510 4.902 9.984 1.00 0.48 H new ATOM 0 HD23 LEU A 121 7.372 6.655 10.260 1.00 0.48 H new ATOM 1974 N ARG A 122 10.445 7.050 7.226 1.00 0.18 N ATOM 1975 CA ARG A 122 11.877 7.011 7.420 1.00 0.22 C ATOM 1976 C ARG A 122 12.498 7.973 6.428 1.00 0.21 C ATOM 1977 O ARG A 122 12.806 7.586 5.302 1.00 0.21 O ATOM 1978 CB ARG A 122 12.400 5.589 7.216 1.00 0.25 C ATOM 1979 CG ARG A 122 12.044 4.673 8.398 1.00 0.32 C ATOM 1980 CD ARG A 122 13.243 3.826 8.842 1.00 0.43 C ATOM 1981 NE ARG A 122 14.360 4.654 9.334 1.00 0.88 N ATOM 1982 CZ ARG A 122 15.545 4.172 9.724 1.00 1.57 C ATOM 1983 NH1 ARG A 122 16.517 5.007 10.097 1.00 1.96 N ATOM 1984 NH2 ARG A 122 15.765 2.861 9.731 1.00 2.85 N ATOM 0 H ARG A 122 10.140 6.658 6.335 1.00 0.18 H new ATOM 0 HA ARG A 122 12.140 7.306 8.436 1.00 0.22 H new ATOM 0 HB2 ARG A 122 11.982 5.176 6.298 1.00 0.25 H new ATOM 0 HB3 ARG A 122 13.482 5.615 7.090 1.00 0.25 H new ATOM 0 HG2 ARG A 122 11.696 5.278 9.235 1.00 0.32 H new ATOM 0 HG3 ARG A 122 11.220 4.017 8.115 1.00 0.32 H new ATOM 0 HD2 ARG A 122 12.929 3.139 9.628 1.00 0.43 H new ATOM 0 HD3 ARG A 122 13.585 3.218 8.005 1.00 0.43 H new ATOM 0 HE ARG A 122 14.219 5.663 9.380 1.00 0.88 H new ATOM 0 HH11 ARG A 122 16.357 6.014 10.085 1.00 1.96 H new ATOM 0 HH12 ARG A 122 17.420 4.638 10.394 1.00 1.96 H new ATOM 0 HH21 ARG A 122 15.029 2.219 9.438 1.00 2.85 H new ATOM 0 HH22 ARG A 122 16.670 2.497 10.029 1.00 2.85 H new ATOM 1998 N ALA A 123 12.724 9.212 6.867 1.00 0.25 N ATOM 1999 CA ALA A 123 13.462 10.193 6.086 1.00 0.24 C ATOM 2000 C ALA A 123 14.762 9.579 5.576 1.00 0.23 C ATOM 2001 O ALA A 123 15.086 9.755 4.417 1.00 0.22 O ATOM 2002 CB ALA A 123 13.730 11.445 6.924 1.00 0.28 C ATOM 0 H ALA A 123 12.400 9.558 7.770 1.00 0.25 H new ATOM 0 HA ALA A 123 12.864 10.490 5.224 1.00 0.24 H new ATOM 0 HB1 ALA A 123 14.283 12.171 6.327 1.00 0.28 H new ATOM 0 HB2 ALA A 123 12.782 11.881 7.240 1.00 0.28 H new ATOM 0 HB3 ALA A 123 14.316 11.176 7.803 1.00 0.28 H new ATOM 2008 N ASP A 124 15.453 8.817 6.423 1.00 0.29 N ATOM 2009 CA ASP A 124 16.707 8.108 6.165 1.00 0.34 C ATOM 2010 C ASP A 124 16.674 7.291 4.867 1.00 0.34 C ATOM 2011 O ASP A 124 17.456 7.535 3.951 1.00 0.34 O ATOM 2012 CB ASP A 124 16.932 7.222 7.405 1.00 0.56 C ATOM 2013 CG ASP A 124 18.335 6.654 7.579 1.00 1.09 C ATOM 2014 OD1 ASP A 124 18.570 6.160 8.708 1.00 2.03 O ATOM 2015 OD2 ASP A 124 19.120 6.706 6.613 1.00 2.65 O ATOM 0 H ASP A 124 15.127 8.668 7.378 1.00 0.29 H new ATOM 0 HA ASP A 124 17.529 8.808 6.013 1.00 0.34 H new ATOM 0 HB2 ASP A 124 16.686 7.805 8.292 1.00 0.56 H new ATOM 0 HB3 ASP A 124 16.228 6.391 7.365 1.00 0.56 H new ATOM 2020 N LEU A 125 15.718 6.367 4.724 1.00 0.35 N ATOM 2021 CA LEU A 125 15.523 5.618 3.483 1.00 0.38 C ATOM 2022 C LEU A 125 15.329 6.574 2.296 1.00 0.36 C ATOM 2023 O LEU A 125 15.742 6.293 1.171 1.00 0.44 O ATOM 2024 CB LEU A 125 14.317 4.674 3.642 1.00 0.39 C ATOM 2025 CG LEU A 125 14.491 3.598 4.724 1.00 0.66 C ATOM 2026 CD1 LEU A 125 13.227 2.742 4.828 1.00 1.40 C ATOM 2027 CD2 LEU A 125 15.685 2.698 4.417 1.00 1.21 C ATOM 0 H LEU A 125 15.061 6.120 5.464 1.00 0.35 H new ATOM 0 HA LEU A 125 16.412 5.021 3.278 1.00 0.38 H new ATOM 0 HB2 LEU A 125 13.434 5.269 3.877 1.00 0.39 H new ATOM 0 HB3 LEU A 125 14.126 4.184 2.687 1.00 0.39 H new ATOM 0 HG LEU A 125 14.669 4.106 5.672 1.00 0.66 H new ATOM 0 HD11 LEU A 125 13.364 1.983 5.599 1.00 1.40 H new ATOM 0 HD12 LEU A 125 12.379 3.375 5.089 1.00 1.40 H new ATOM 0 HD13 LEU A 125 13.036 2.257 3.871 1.00 1.40 H new ATOM 0 HD21 LEU A 125 15.784 1.946 5.199 1.00 1.21 H new ATOM 0 HD22 LEU A 125 15.532 2.205 3.457 1.00 1.21 H new ATOM 0 HD23 LEU A 125 16.593 3.300 4.375 1.00 1.21 H new ATOM 2039 N ALA A 126 14.688 7.714 2.544 1.00 0.29 N ATOM 2040 CA ALA A 126 14.439 8.746 1.554 1.00 0.29 C ATOM 2041 C ALA A 126 15.712 9.529 1.232 1.00 0.29 C ATOM 2042 O ALA A 126 15.845 10.058 0.134 1.00 0.34 O ATOM 2043 CB ALA A 126 13.333 9.679 2.051 1.00 0.25 C ATOM 0 H ALA A 126 14.319 7.947 3.466 1.00 0.29 H new ATOM 0 HA ALA A 126 14.113 8.269 0.630 1.00 0.29 H new ATOM 0 HB1 ALA A 126 13.148 10.453 1.306 1.00 0.25 H new ATOM 0 HB2 ALA A 126 12.420 9.106 2.214 1.00 0.25 H new ATOM 0 HB3 ALA A 126 13.642 10.143 2.987 1.00 0.25 H new ATOM 2049 N GLU A 127 16.645 9.626 2.175 1.00 0.27 N ATOM 2050 CA GLU A 127 17.929 10.267 1.989 1.00 0.27 C ATOM 2051 C GLU A 127 18.782 9.427 1.071 1.00 0.31 C ATOM 2052 O GLU A 127 19.314 9.950 0.100 1.00 0.38 O ATOM 2053 CB GLU A 127 18.686 10.505 3.295 1.00 0.28 C ATOM 2054 CG GLU A 127 17.876 11.448 4.175 1.00 0.32 C ATOM 2055 CD GLU A 127 18.777 12.331 5.037 1.00 0.72 C ATOM 2056 OE1 GLU A 127 19.601 13.057 4.426 1.00 1.42 O ATOM 2057 OE2 GLU A 127 18.649 12.274 6.276 1.00 2.04 O ATOM 0 H GLU A 127 16.518 9.248 3.114 1.00 0.27 H new ATOM 0 HA GLU A 127 17.728 11.246 1.554 1.00 0.27 H new ATOM 0 HB2 GLU A 127 18.853 9.559 3.811 1.00 0.28 H new ATOM 0 HB3 GLU A 127 19.667 10.933 3.089 1.00 0.28 H new ATOM 0 HG2 GLU A 127 17.243 12.076 3.549 1.00 0.32 H new ATOM 0 HG3 GLU A 127 17.214 10.867 4.817 1.00 0.32 H new ATOM 2064 N GLU A 128 18.912 8.130 1.356 1.00 0.30 N ATOM 2065 CA GLU A 128 19.691 7.255 0.491 1.00 0.32 C ATOM 2066 C GLU A 128 19.104 7.281 -0.915 1.00 0.33 C ATOM 2067 O GLU A 128 19.841 7.250 -1.892 1.00 0.36 O ATOM 2068 CB GLU A 128 19.748 5.825 1.047 1.00 0.37 C ATOM 2069 CG GLU A 128 20.965 5.086 0.452 1.00 0.64 C ATOM 2070 CD GLU A 128 20.703 3.736 -0.233 1.00 1.45 C ATOM 2071 OE1 GLU A 128 19.556 3.434 -0.626 1.00 2.69 O ATOM 2072 OE2 GLU A 128 21.723 3.031 -0.424 1.00 2.15 O ATOM 0 H GLU A 128 18.494 7.672 2.166 1.00 0.30 H new ATOM 0 HA GLU A 128 20.718 7.619 0.452 1.00 0.32 H new ATOM 0 HB2 GLU A 128 19.821 5.849 2.134 1.00 0.37 H new ATOM 0 HB3 GLU A 128 18.830 5.292 0.801 1.00 0.37 H new ATOM 0 HG2 GLU A 128 21.439 5.746 -0.274 1.00 0.64 H new ATOM 0 HG3 GLU A 128 21.686 4.924 1.253 1.00 0.64 H new ATOM 2079 N TYR A 129 17.780 7.414 -1.021 1.00 0.31 N ATOM 2080 CA TYR A 129 17.130 7.529 -2.319 1.00 0.34 C ATOM 2081 C TYR A 129 17.497 8.853 -2.987 1.00 0.33 C ATOM 2082 O TYR A 129 17.849 8.899 -4.162 1.00 0.32 O ATOM 2083 CB TYR A 129 15.614 7.433 -2.122 1.00 0.36 C ATOM 2084 CG TYR A 129 14.792 7.646 -3.378 1.00 0.71 C ATOM 2085 CD1 TYR A 129 14.838 6.695 -4.409 1.00 1.93 C ATOM 2086 CD2 TYR A 129 13.975 8.784 -3.517 1.00 1.76 C ATOM 2087 CE1 TYR A 129 14.059 6.846 -5.568 1.00 2.28 C ATOM 2088 CE2 TYR A 129 13.202 8.956 -4.679 1.00 2.19 C ATOM 2089 CZ TYR A 129 13.231 7.983 -5.704 1.00 1.91 C ATOM 2090 OH TYR A 129 12.465 8.156 -6.816 1.00 2.50 O ATOM 0 H TYR A 129 17.143 7.444 -0.225 1.00 0.31 H new ATOM 0 HA TYR A 129 17.468 6.721 -2.968 1.00 0.34 H new ATOM 0 HB2 TYR A 129 15.377 6.451 -1.712 1.00 0.36 H new ATOM 0 HB3 TYR A 129 15.312 8.170 -1.378 1.00 0.36 H new ATOM 0 HD1 TYR A 129 15.482 5.834 -4.310 1.00 1.93 H new ATOM 0 HD2 TYR A 129 13.942 9.525 -2.732 1.00 1.76 H new ATOM 0 HE1 TYR A 129 14.093 6.100 -6.348 1.00 2.28 H new ATOM 0 HE2 TYR A 129 12.584 9.835 -4.789 1.00 2.19 H new ATOM 0 HH TYR A 129 11.959 8.992 -6.738 1.00 2.50 H new ATOM 2100 N SER A 130 17.375 9.953 -2.253 1.00 0.36 N ATOM 2101 CA SER A 130 17.465 11.293 -2.805 1.00 0.37 C ATOM 2102 C SER A 130 18.914 11.668 -3.100 1.00 0.42 C ATOM 2103 O SER A 130 19.149 12.574 -3.898 1.00 0.66 O ATOM 2104 CB SER A 130 16.821 12.295 -1.843 1.00 0.33 C ATOM 2105 OG SER A 130 16.710 13.558 -2.472 1.00 0.57 O ATOM 0 H SER A 130 17.209 9.936 -1.247 1.00 0.36 H new ATOM 0 HA SER A 130 16.923 11.319 -3.750 1.00 0.37 H new ATOM 0 HB2 SER A 130 15.835 11.941 -1.540 1.00 0.33 H new ATOM 0 HB3 SER A 130 17.421 12.381 -0.937 1.00 0.33 H new ATOM 0 HG SER A 130 16.296 14.196 -1.854 1.00 0.57 H new ATOM 2111 N LYS A 131 19.875 11.015 -2.445 1.00 0.43 N ATOM 2112 CA LYS A 131 21.286 11.141 -2.768 1.00 0.40 C ATOM 2113 C LYS A 131 21.613 10.176 -3.902 1.00 0.41 C ATOM 2114 O LYS A 131 22.335 10.549 -4.821 1.00 0.45 O ATOM 2115 CB LYS A 131 22.172 10.864 -1.539 1.00 0.43 C ATOM 2116 CG LYS A 131 22.569 12.144 -0.784 1.00 0.70 C ATOM 2117 CD LYS A 131 21.507 12.710 0.171 1.00 0.81 C ATOM 2118 CE LYS A 131 22.021 12.645 1.618 1.00 1.61 C ATOM 2119 NZ LYS A 131 21.230 13.493 2.536 1.00 1.90 N ATOM 0 H LYS A 131 19.688 10.380 -1.669 1.00 0.43 H new ATOM 0 HA LYS A 131 21.492 12.164 -3.082 1.00 0.40 H new ATOM 0 HB2 LYS A 131 21.642 10.197 -0.859 1.00 0.43 H new ATOM 0 HB3 LYS A 131 23.074 10.342 -1.858 1.00 0.43 H new ATOM 0 HG2 LYS A 131 23.474 11.941 -0.212 1.00 0.70 H new ATOM 0 HG3 LYS A 131 22.820 12.912 -1.515 1.00 0.70 H new ATOM 0 HD2 LYS A 131 21.276 13.741 -0.097 1.00 0.81 H new ATOM 0 HD3 LYS A 131 20.581 12.142 0.078 1.00 0.81 H new ATOM 0 HE2 LYS A 131 21.991 11.612 1.965 1.00 1.61 H new ATOM 0 HE3 LYS A 131 23.064 12.960 1.645 1.00 1.61 H new ATOM 0 HZ1 LYS A 131 21.872 14.030 3.153 1.00 1.90 H new ATOM 0 HZ2 LYS A 131 20.648 14.154 1.983 1.00 1.90 H new ATOM 0 HZ3 LYS A 131 20.612 12.892 3.118 1.00 1.90 H new ATOM 2133 N ASP A 132 21.117 8.938 -3.840 1.00 0.42 N ATOM 2134 CA ASP A 132 21.478 7.925 -4.822 1.00 0.45 C ATOM 2135 C ASP A 132 20.339 6.942 -5.095 1.00 0.41 C ATOM 2136 O ASP A 132 20.298 5.808 -4.609 1.00 0.40 O ATOM 2137 CB ASP A 132 22.747 7.186 -4.399 1.00 0.50 C ATOM 2138 CG ASP A 132 23.295 6.392 -5.586 1.00 0.55 C ATOM 2139 OD1 ASP A 132 22.545 6.232 -6.578 1.00 1.49 O ATOM 2140 OD2 ASP A 132 24.458 5.945 -5.498 1.00 1.94 O ATOM 0 H ASP A 132 20.467 8.618 -3.122 1.00 0.42 H new ATOM 0 HA ASP A 132 21.675 8.447 -5.758 1.00 0.45 H new ATOM 0 HB2 ASP A 132 23.495 7.897 -4.047 1.00 0.50 H new ATOM 0 HB3 ASP A 132 22.530 6.515 -3.568 1.00 0.50 H new ATOM 2145 N ARG A 133 19.449 7.345 -6.000 1.00 0.40 N ATOM 2146 CA ARG A 133 18.344 6.498 -6.425 1.00 0.34 C ATOM 2147 C ARG A 133 18.835 5.184 -7.017 1.00 0.33 C ATOM 2148 O ARG A 133 18.050 4.249 -7.092 1.00 0.31 O ATOM 2149 CB ARG A 133 17.440 7.189 -7.456 1.00 0.38 C ATOM 2150 CG ARG A 133 16.951 8.572 -7.008 1.00 0.60 C ATOM 2151 CD ARG A 133 16.219 9.299 -8.137 1.00 1.35 C ATOM 2152 NE ARG A 133 15.956 10.695 -7.751 1.00 1.36 N ATOM 2153 CZ ARG A 133 16.075 11.777 -8.534 1.00 2.00 C ATOM 2154 NH1 ARG A 133 15.935 12.995 -8.009 1.00 3.01 N ATOM 2155 NH2 ARG A 133 16.338 11.649 -9.836 1.00 2.72 N ATOM 0 H ARG A 133 19.475 8.258 -6.453 1.00 0.40 H new ATOM 0 HA ARG A 133 17.765 6.300 -5.523 1.00 0.34 H new ATOM 0 HB2 ARG A 133 17.984 7.291 -8.395 1.00 0.38 H new ATOM 0 HB3 ARG A 133 16.577 6.554 -7.655 1.00 0.38 H new ATOM 0 HG2 ARG A 133 16.286 8.464 -6.151 1.00 0.60 H new ATOM 0 HG3 ARG A 133 17.800 9.171 -6.679 1.00 0.60 H new ATOM 0 HD2 ARG A 133 16.819 9.272 -9.047 1.00 1.35 H new ATOM 0 HD3 ARG A 133 15.280 8.791 -8.359 1.00 1.35 H new ATOM 0 HE ARG A 133 15.652 10.855 -6.791 1.00 1.36 H new ATOM 0 HH11 ARG A 133 15.738 13.102 -7.014 1.00 3.01 H new ATOM 0 HH12 ARG A 133 16.025 13.820 -8.603 1.00 3.01 H new ATOM 0 HH21 ARG A 133 16.451 10.721 -10.245 1.00 2.72 H new ATOM 0 HH22 ARG A 133 16.426 12.479 -10.422 1.00 2.72 H new ATOM 2169 N LYS A 134 20.081 5.076 -7.487 1.00 0.37 N ATOM 2170 CA LYS A 134 20.560 3.835 -8.083 1.00 0.36 C ATOM 2171 C LYS A 134 20.703 2.770 -7.019 1.00 0.37 C ATOM 2172 O LYS A 134 20.299 1.637 -7.266 1.00 0.41 O ATOM 2173 CB LYS A 134 21.879 4.049 -8.826 1.00 0.38 C ATOM 2174 CG LYS A 134 21.595 4.884 -10.084 1.00 0.43 C ATOM 2175 CD LYS A 134 22.693 5.911 -10.360 1.00 1.76 C ATOM 2176 CE LYS A 134 22.092 7.011 -11.239 1.00 2.29 C ATOM 2177 NZ LYS A 134 23.087 8.046 -11.587 1.00 3.29 N ATOM 0 H LYS A 134 20.768 5.829 -7.465 1.00 0.37 H new ATOM 0 HA LYS A 134 19.825 3.500 -8.815 1.00 0.36 H new ATOM 0 HB2 LYS A 134 22.597 4.561 -8.185 1.00 0.38 H new ATOM 0 HB3 LYS A 134 22.321 3.091 -9.098 1.00 0.38 H new ATOM 0 HG2 LYS A 134 21.497 4.220 -10.943 1.00 0.43 H new ATOM 0 HG3 LYS A 134 20.641 5.398 -9.968 1.00 0.43 H new ATOM 0 HD2 LYS A 134 23.068 6.330 -9.426 1.00 1.76 H new ATOM 0 HD3 LYS A 134 23.539 5.441 -10.861 1.00 1.76 H new ATOM 0 HE2 LYS A 134 21.694 6.569 -12.152 1.00 2.29 H new ATOM 0 HE3 LYS A 134 21.254 7.474 -10.718 1.00 2.29 H new ATOM 0 HZ1 LYS A 134 22.639 8.772 -12.183 1.00 3.29 H new ATOM 0 HZ2 LYS A 134 23.448 8.487 -10.717 1.00 3.29 H new ATOM 0 HZ3 LYS A 134 23.875 7.609 -12.107 1.00 3.29 H new ATOM 2191 N LYS A 135 21.244 3.097 -5.841 1.00 0.37 N ATOM 2192 CA LYS A 135 21.238 2.101 -4.771 1.00 0.38 C ATOM 2193 C LYS A 135 19.824 1.730 -4.398 1.00 0.37 C ATOM 2194 O LYS A 135 19.584 0.564 -4.141 1.00 0.43 O ATOM 2195 CB LYS A 135 21.985 2.531 -3.508 1.00 0.46 C ATOM 2196 CG LYS A 135 23.487 2.262 -3.662 1.00 0.56 C ATOM 2197 CD LYS A 135 24.308 3.551 -3.662 1.00 1.16 C ATOM 2198 CE LYS A 135 25.030 3.772 -2.330 1.00 1.36 C ATOM 2199 NZ LYS A 135 24.089 3.912 -1.199 1.00 2.83 N ATOM 0 H LYS A 135 21.670 3.995 -5.612 1.00 0.37 H new ATOM 0 HA LYS A 135 21.771 1.242 -5.180 1.00 0.38 H new ATOM 0 HB2 LYS A 135 21.816 3.591 -3.320 1.00 0.46 H new ATOM 0 HB3 LYS A 135 21.598 1.989 -2.645 1.00 0.46 H new ATOM 0 HG2 LYS A 135 23.824 1.619 -2.849 1.00 0.56 H new ATOM 0 HG3 LYS A 135 23.664 1.721 -4.591 1.00 0.56 H new ATOM 0 HD2 LYS A 135 25.040 3.515 -4.469 1.00 1.16 H new ATOM 0 HD3 LYS A 135 23.653 4.398 -3.864 1.00 1.16 H new ATOM 0 HE2 LYS A 135 25.701 2.935 -2.140 1.00 1.36 H new ATOM 0 HE3 LYS A 135 25.648 4.667 -2.398 1.00 1.36 H new ATOM 0 HZ1 LYS A 135 24.599 3.771 -0.304 1.00 2.83 H new ATOM 0 HZ2 LYS A 135 23.669 4.863 -1.213 1.00 2.83 H new ATOM 0 HZ3 LYS A 135 23.336 3.200 -1.284 1.00 2.83 H new ATOM 2213 N PHE A 136 18.887 2.672 -4.371 1.00 0.35 N ATOM 2214 CA PHE A 136 17.522 2.363 -3.973 1.00 0.36 C ATOM 2215 C PHE A 136 16.893 1.421 -4.989 1.00 0.32 C ATOM 2216 O PHE A 136 16.174 0.493 -4.641 1.00 0.30 O ATOM 2217 CB PHE A 136 16.697 3.642 -3.889 1.00 0.38 C ATOM 2218 CG PHE A 136 15.297 3.398 -3.360 1.00 0.87 C ATOM 2219 CD1 PHE A 136 15.018 3.627 -2.003 1.00 2.68 C ATOM 2220 CD2 PHE A 136 14.284 2.911 -4.210 1.00 1.60 C ATOM 2221 CE1 PHE A 136 13.738 3.357 -1.497 1.00 3.24 C ATOM 2222 CE2 PHE A 136 13.014 2.604 -3.695 1.00 1.84 C ATOM 2223 CZ PHE A 136 12.746 2.820 -2.334 1.00 2.22 C ATOM 0 H PHE A 136 19.048 3.648 -4.618 1.00 0.35 H new ATOM 0 HA PHE A 136 17.540 1.885 -2.994 1.00 0.36 H new ATOM 0 HB2 PHE A 136 17.206 4.357 -3.243 1.00 0.38 H new ATOM 0 HB3 PHE A 136 16.634 4.095 -4.878 1.00 0.38 H new ATOM 0 HD1 PHE A 136 15.788 4.010 -1.350 1.00 2.68 H new ATOM 0 HD2 PHE A 136 14.485 2.773 -5.262 1.00 1.60 H new ATOM 0 HE1 PHE A 136 13.514 3.563 -0.461 1.00 3.24 H new ATOM 0 HE2 PHE A 136 12.248 2.204 -4.342 1.00 1.84 H new ATOM 0 HZ PHE A 136 11.775 2.573 -1.930 1.00 2.22 H new ATOM 2233 N CYS A 137 17.128 1.704 -6.265 1.00 0.31 N ATOM 2234 CA CYS A 137 16.527 0.997 -7.370 1.00 0.28 C ATOM 2235 C CYS A 137 17.046 -0.437 -7.344 1.00 0.25 C ATOM 2236 O CYS A 137 16.268 -1.383 -7.372 1.00 0.34 O ATOM 2237 CB CYS A 137 16.856 1.706 -8.690 1.00 0.31 C ATOM 2238 SG CYS A 137 15.617 1.275 -9.940 1.00 1.45 S ATOM 0 H CYS A 137 17.758 2.451 -6.558 1.00 0.31 H new ATOM 0 HA CYS A 137 15.441 0.984 -7.283 1.00 0.28 H new ATOM 0 HB2 CYS A 137 16.874 2.785 -8.539 1.00 0.31 H new ATOM 0 HB3 CYS A 137 17.849 1.415 -9.033 1.00 0.31 H new ATOM 0 HG CYS A 137 15.898 1.879 -11.056 1.00 1.45 H new ATOM 2244 N LYS A 138 18.371 -0.603 -7.243 1.00 0.25 N ATOM 2245 CA LYS A 138 18.972 -1.939 -7.251 1.00 0.29 C ATOM 2246 C LYS A 138 18.549 -2.705 -6.002 1.00 0.31 C ATOM 2247 O LYS A 138 18.170 -3.871 -6.078 1.00 0.33 O ATOM 2248 CB LYS A 138 20.504 -1.880 -7.377 1.00 0.38 C ATOM 2249 CG LYS A 138 20.962 -2.503 -8.703 1.00 1.00 C ATOM 2250 CD LYS A 138 20.649 -1.614 -9.914 1.00 0.90 C ATOM 2251 CE LYS A 138 21.609 -0.423 -10.025 1.00 1.89 C ATOM 2252 NZ LYS A 138 22.994 -0.853 -10.326 1.00 2.61 N ATOM 0 H LYS A 138 19.039 0.163 -7.156 1.00 0.25 H new ATOM 0 HA LYS A 138 18.607 -2.470 -8.130 1.00 0.29 H new ATOM 0 HB2 LYS A 138 20.839 -0.844 -7.321 1.00 0.38 H new ATOM 0 HB3 LYS A 138 20.964 -2.410 -6.542 1.00 0.38 H new ATOM 0 HG2 LYS A 138 22.035 -2.688 -8.661 1.00 1.00 H new ATOM 0 HG3 LYS A 138 20.476 -3.470 -8.832 1.00 1.00 H new ATOM 0 HD2 LYS A 138 20.707 -2.210 -10.824 1.00 0.90 H new ATOM 0 HD3 LYS A 138 19.625 -1.247 -9.838 1.00 0.90 H new ATOM 0 HE2 LYS A 138 21.261 0.252 -10.807 1.00 1.89 H new ATOM 0 HE3 LYS A 138 21.599 0.139 -9.091 1.00 1.89 H new ATOM 0 HZ1 LYS A 138 23.547 -0.037 -10.657 1.00 2.61 H new ATOM 0 HZ2 LYS A 138 23.432 -1.241 -9.466 1.00 2.61 H new ATOM 0 HZ3 LYS A 138 22.978 -1.583 -11.066 1.00 2.61 H new ATOM 2266 N ASN A 139 18.601 -2.028 -4.855 1.00 0.32 N ATOM 2267 CA ASN A 139 18.081 -2.520 -3.589 1.00 0.36 C ATOM 2268 C ASN A 139 16.701 -3.121 -3.799 1.00 0.35 C ATOM 2269 O ASN A 139 16.489 -4.261 -3.417 1.00 0.39 O ATOM 2270 CB ASN A 139 17.999 -1.399 -2.539 1.00 0.47 C ATOM 2271 CG ASN A 139 19.194 -1.357 -1.591 1.00 0.74 C ATOM 2272 OD1 ASN A 139 19.647 -2.396 -1.118 1.00 1.54 O ATOM 2273 ND2 ASN A 139 19.688 -0.175 -1.242 1.00 0.70 N ATOM 0 H ASN A 139 19.017 -1.100 -4.784 1.00 0.32 H new ATOM 0 HA ASN A 139 18.766 -3.282 -3.219 1.00 0.36 H new ATOM 0 HB2 ASN A 139 17.918 -0.440 -3.050 1.00 0.47 H new ATOM 0 HB3 ASN A 139 17.088 -1.526 -1.955 1.00 0.47 H new ATOM 0 HD21 ASN A 139 20.455 -0.121 -0.572 1.00 0.70 H new ATOM 0 HD22 ASN A 139 19.301 0.679 -1.644 1.00 0.70 H new ATOM 2280 N ALA A 140 15.768 -2.371 -4.388 1.00 0.36 N ATOM 2281 CA ALA A 140 14.405 -2.815 -4.627 1.00 0.36 C ATOM 2282 C ALA A 140 14.372 -4.034 -5.536 1.00 0.33 C ATOM 2283 O ALA A 140 13.617 -4.953 -5.274 1.00 0.37 O ATOM 2284 CB ALA A 140 13.570 -1.693 -5.239 1.00 0.38 C ATOM 0 H ALA A 140 15.948 -1.422 -4.716 1.00 0.36 H new ATOM 0 HA ALA A 140 13.978 -3.091 -3.663 1.00 0.36 H new ATOM 0 HB1 ALA A 140 12.553 -2.047 -5.409 1.00 0.38 H new ATOM 0 HB2 ALA A 140 13.548 -0.842 -4.558 1.00 0.38 H new ATOM 0 HB3 ALA A 140 14.011 -1.387 -6.187 1.00 0.38 H new ATOM 2290 N GLU A 141 15.144 -4.048 -6.617 1.00 0.30 N ATOM 2291 CA GLU A 141 15.280 -5.176 -7.533 1.00 0.27 C ATOM 2292 C GLU A 141 15.483 -6.474 -6.753 1.00 0.31 C ATOM 2293 O GLU A 141 14.836 -7.490 -7.018 1.00 0.36 O ATOM 2294 CB GLU A 141 16.465 -4.874 -8.474 1.00 0.26 C ATOM 2295 CG GLU A 141 16.141 -5.062 -9.953 1.00 0.66 C ATOM 2296 CD GLU A 141 17.171 -4.337 -10.815 1.00 0.93 C ATOM 2297 OE1 GLU A 141 16.975 -3.126 -11.054 1.00 2.44 O ATOM 2298 OE2 GLU A 141 18.146 -5.015 -11.204 1.00 1.13 O ATOM 0 H GLU A 141 15.713 -3.246 -6.890 1.00 0.30 H new ATOM 0 HA GLU A 141 14.375 -5.309 -8.125 1.00 0.27 H new ATOM 0 HB2 GLU A 141 16.793 -3.847 -8.311 1.00 0.26 H new ATOM 0 HB3 GLU A 141 17.301 -5.522 -8.210 1.00 0.26 H new ATOM 0 HG2 GLU A 141 16.133 -6.124 -10.199 1.00 0.66 H new ATOM 0 HG3 GLU A 141 15.143 -4.678 -10.166 1.00 0.66 H new ATOM 2305 N GLU A 142 16.380 -6.424 -5.771 1.00 0.33 N ATOM 2306 CA GLU A 142 16.714 -7.570 -4.950 1.00 0.33 C ATOM 2307 C GLU A 142 15.651 -7.820 -3.884 1.00 0.32 C ATOM 2308 O GLU A 142 15.268 -8.961 -3.666 1.00 0.34 O ATOM 2309 CB GLU A 142 18.094 -7.346 -4.312 1.00 0.38 C ATOM 2310 CG GLU A 142 19.160 -8.153 -5.058 1.00 0.62 C ATOM 2311 CD GLU A 142 18.918 -9.648 -4.870 1.00 2.42 C ATOM 2312 OE1 GLU A 142 18.434 -10.290 -5.830 1.00 3.86 O ATOM 2313 OE2 GLU A 142 19.169 -10.124 -3.740 1.00 3.25 O ATOM 0 H GLU A 142 16.895 -5.578 -5.526 1.00 0.33 H new ATOM 0 HA GLU A 142 16.747 -8.459 -5.579 1.00 0.33 H new ATOM 0 HB2 GLU A 142 18.346 -6.286 -4.337 1.00 0.38 H new ATOM 0 HB3 GLU A 142 18.070 -7.643 -3.264 1.00 0.38 H new ATOM 0 HG2 GLU A 142 19.138 -7.904 -6.119 1.00 0.62 H new ATOM 0 HG3 GLU A 142 20.151 -7.889 -4.689 1.00 0.62 H new ATOM 2320 N PHE A 143 15.195 -6.782 -3.188 1.00 0.33 N ATOM 2321 CA PHE A 143 14.262 -6.872 -2.065 1.00 0.34 C ATOM 2322 C PHE A 143 12.957 -7.502 -2.523 1.00 0.30 C ATOM 2323 O PHE A 143 12.399 -8.381 -1.872 1.00 0.30 O ATOM 2324 CB PHE A 143 14.002 -5.475 -1.480 1.00 0.39 C ATOM 2325 CG PHE A 143 14.454 -5.303 -0.046 1.00 0.97 C ATOM 2326 CD1 PHE A 143 13.611 -4.668 0.885 1.00 0.96 C ATOM 2327 CD2 PHE A 143 15.742 -5.712 0.343 1.00 1.97 C ATOM 2328 CE1 PHE A 143 14.061 -4.438 2.196 1.00 1.78 C ATOM 2329 CE2 PHE A 143 16.184 -5.497 1.660 1.00 2.77 C ATOM 2330 CZ PHE A 143 15.345 -4.852 2.584 1.00 2.65 C ATOM 0 H PHE A 143 15.473 -5.823 -3.396 1.00 0.33 H new ATOM 0 HA PHE A 143 14.702 -7.499 -1.289 1.00 0.34 H new ATOM 0 HB2 PHE A 143 14.509 -4.735 -2.099 1.00 0.39 H new ATOM 0 HB3 PHE A 143 12.935 -5.263 -1.540 1.00 0.39 H new ATOM 0 HD1 PHE A 143 12.619 -4.358 0.592 1.00 0.96 H new ATOM 0 HD2 PHE A 143 16.393 -6.193 -0.372 1.00 1.97 H new ATOM 0 HE1 PHE A 143 13.417 -3.941 2.907 1.00 1.78 H new ATOM 0 HE2 PHE A 143 17.167 -5.827 1.961 1.00 2.77 H new ATOM 0 HZ PHE A 143 15.688 -4.675 3.593 1.00 2.65 H new ATOM 2340 N THR A 144 12.488 -7.044 -3.672 1.00 0.28 N ATOM 2341 CA THR A 144 11.385 -7.615 -4.398 1.00 0.28 C ATOM 2342 C THR A 144 11.639 -9.107 -4.611 1.00 0.29 C ATOM 2343 O THR A 144 10.843 -9.924 -4.169 1.00 0.31 O ATOM 2344 CB THR A 144 11.215 -6.824 -5.694 1.00 0.31 C ATOM 2345 OG1 THR A 144 10.922 -5.483 -5.371 1.00 0.31 O ATOM 2346 CG2 THR A 144 10.070 -7.376 -6.515 1.00 0.38 C ATOM 0 H THR A 144 12.888 -6.229 -4.137 1.00 0.28 H new ATOM 0 HA THR A 144 10.447 -7.545 -3.847 1.00 0.28 H new ATOM 0 HB THR A 144 12.136 -6.898 -6.272 1.00 0.31 H new ATOM 0 HG1 THR A 144 11.758 -4.983 -5.259 1.00 0.31 H new ATOM 0 HG21 THR A 144 9.968 -6.797 -7.433 1.00 0.38 H new ATOM 0 HG22 THR A 144 10.270 -8.418 -6.764 1.00 0.38 H new ATOM 0 HG23 THR A 144 9.146 -7.311 -5.941 1.00 0.38 H new ATOM 2354 N LYS A 145 12.748 -9.503 -5.240 1.00 0.35 N ATOM 2355 CA LYS A 145 13.003 -10.929 -5.441 1.00 0.40 C ATOM 2356 C LYS A 145 13.189 -11.710 -4.127 1.00 0.42 C ATOM 2357 O LYS A 145 12.990 -12.921 -4.114 1.00 0.54 O ATOM 2358 CB LYS A 145 14.179 -11.099 -6.411 1.00 0.47 C ATOM 2359 CG LYS A 145 14.388 -12.567 -6.808 1.00 1.37 C ATOM 2360 CD LYS A 145 15.422 -13.274 -5.920 1.00 1.83 C ATOM 2361 CE LYS A 145 16.674 -13.636 -6.727 1.00 1.95 C ATOM 2362 NZ LYS A 145 17.412 -12.432 -7.163 1.00 3.15 N ATOM 0 H LYS A 145 13.464 -8.877 -5.609 1.00 0.35 H new ATOM 0 HA LYS A 145 12.114 -11.374 -5.888 1.00 0.40 H new ATOM 0 HB2 LYS A 145 14.000 -10.503 -7.306 1.00 0.47 H new ATOM 0 HB3 LYS A 145 15.089 -10.715 -5.949 1.00 0.47 H new ATOM 0 HG2 LYS A 145 13.437 -13.096 -6.745 1.00 1.37 H new ATOM 0 HG3 LYS A 145 14.712 -12.616 -7.848 1.00 1.37 H new ATOM 0 HD2 LYS A 145 15.695 -12.627 -5.086 1.00 1.83 H new ATOM 0 HD3 LYS A 145 14.985 -14.177 -5.493 1.00 1.83 H new ATOM 0 HE2 LYS A 145 17.328 -14.264 -6.122 1.00 1.95 H new ATOM 0 HE3 LYS A 145 16.387 -14.223 -7.600 1.00 1.95 H new ATOM 0 HZ1 LYS A 145 18.287 -12.718 -7.647 1.00 3.15 H new ATOM 0 HZ2 LYS A 145 16.820 -11.879 -7.815 1.00 3.15 H new ATOM 0 HZ3 LYS A 145 17.649 -11.851 -6.334 1.00 3.15 H new ATOM 2376 N LYS A 146 13.605 -11.069 -3.032 1.00 0.37 N ATOM 2377 CA LYS A 146 13.828 -11.718 -1.744 1.00 0.38 C ATOM 2378 C LYS A 146 12.493 -12.071 -1.094 1.00 0.34 C ATOM 2379 O LYS A 146 12.284 -13.209 -0.690 1.00 0.35 O ATOM 2380 CB LYS A 146 14.644 -10.785 -0.844 1.00 0.42 C ATOM 2381 CG LYS A 146 16.157 -10.939 -1.067 1.00 0.65 C ATOM 2382 CD LYS A 146 16.850 -9.595 -0.819 1.00 1.19 C ATOM 2383 CE LYS A 146 18.239 -9.731 -0.181 1.00 1.44 C ATOM 2384 NZ LYS A 146 19.333 -9.492 -1.146 1.00 1.93 N ATOM 0 H LYS A 146 13.799 -10.068 -3.019 1.00 0.37 H new ATOM 0 HA LYS A 146 14.385 -12.643 -1.891 1.00 0.38 H new ATOM 0 HB2 LYS A 146 14.354 -9.752 -1.036 1.00 0.42 H new ATOM 0 HB3 LYS A 146 14.409 -10.993 0.200 1.00 0.42 H new ATOM 0 HG2 LYS A 146 16.559 -11.697 -0.395 1.00 0.65 H new ATOM 0 HG3 LYS A 146 16.353 -11.279 -2.084 1.00 0.65 H new ATOM 0 HD2 LYS A 146 16.944 -9.064 -1.766 1.00 1.19 H new ATOM 0 HD3 LYS A 146 16.220 -8.984 -0.172 1.00 1.19 H new ATOM 0 HE2 LYS A 146 18.327 -9.024 0.644 1.00 1.44 H new ATOM 0 HE3 LYS A 146 18.344 -10.730 0.242 1.00 1.44 H new ATOM 0 HZ1 LYS A 146 20.244 -9.727 -0.703 1.00 1.93 H new ATOM 0 HZ2 LYS A 146 19.192 -10.089 -1.986 1.00 1.93 H new ATOM 0 HZ3 LYS A 146 19.334 -8.491 -1.429 1.00 1.93 H new ATOM 2398 N TYR A 147 11.638 -11.066 -0.906 1.00 0.34 N ATOM 2399 CA TYR A 147 10.371 -11.175 -0.189 1.00 0.35 C ATOM 2400 C TYR A 147 9.172 -10.721 -1.014 1.00 0.34 C ATOM 2401 O TYR A 147 8.070 -11.197 -0.760 1.00 0.48 O ATOM 2402 CB TYR A 147 10.417 -10.353 1.097 1.00 0.42 C ATOM 2403 CG TYR A 147 10.665 -11.225 2.299 1.00 0.47 C ATOM 2404 CD1 TYR A 147 11.948 -11.747 2.520 1.00 1.80 C ATOM 2405 CD2 TYR A 147 9.595 -11.592 3.135 1.00 1.89 C ATOM 2406 CE1 TYR A 147 12.171 -12.642 3.575 1.00 1.87 C ATOM 2407 CE2 TYR A 147 9.815 -12.477 4.201 1.00 1.88 C ATOM 2408 CZ TYR A 147 11.104 -13.007 4.429 1.00 0.62 C ATOM 2409 OH TYR A 147 11.299 -13.875 5.460 1.00 0.73 O ATOM 0 H TYR A 147 11.815 -10.126 -1.260 1.00 0.34 H new ATOM 0 HA TYR A 147 10.241 -12.234 0.032 1.00 0.35 H new ATOM 0 HB2 TYR A 147 11.203 -9.602 1.022 1.00 0.42 H new ATOM 0 HB3 TYR A 147 9.476 -9.818 1.222 1.00 0.42 H new ATOM 0 HD1 TYR A 147 12.766 -11.459 1.876 1.00 1.80 H new ATOM 0 HD2 TYR A 147 8.607 -11.194 2.957 1.00 1.89 H new ATOM 0 HE1 TYR A 147 13.157 -13.053 3.736 1.00 1.87 H new ATOM 0 HE2 TYR A 147 8.997 -12.754 4.849 1.00 1.88 H new ATOM 0 HH TYR A 147 10.455 -14.008 5.940 1.00 0.73 H new ATOM 2419 N GLY A 148 9.345 -9.718 -1.880 1.00 0.29 N ATOM 2420 CA GLY A 148 8.261 -9.107 -2.638 1.00 0.30 C ATOM 2421 C GLY A 148 7.381 -10.152 -3.314 1.00 0.30 C ATOM 2422 O GLY A 148 7.851 -11.213 -3.719 1.00 0.36 O ATOM 0 H GLY A 148 10.257 -9.305 -2.073 1.00 0.29 H new ATOM 0 HA2 GLY A 148 7.652 -8.495 -1.972 1.00 0.30 H new ATOM 0 HA3 GLY A 148 8.677 -8.439 -3.393 1.00 0.30 H new ATOM 2426 N GLU A 149 6.083 -9.865 -3.418 1.00 0.30 N ATOM 2427 CA GLU A 149 5.143 -10.869 -3.888 1.00 0.28 C ATOM 2428 C GLU A 149 5.420 -11.196 -5.353 1.00 0.27 C ATOM 2429 O GLU A 149 6.003 -10.404 -6.094 1.00 0.34 O ATOM 2430 CB GLU A 149 3.690 -10.404 -3.721 1.00 0.35 C ATOM 2431 CG GLU A 149 2.930 -11.242 -2.686 1.00 0.63 C ATOM 2432 CD GLU A 149 2.813 -12.722 -3.058 1.00 0.62 C ATOM 2433 OE1 GLU A 149 2.626 -13.005 -4.261 1.00 1.83 O ATOM 2434 OE2 GLU A 149 2.935 -13.555 -2.138 1.00 1.15 O ATOM 0 H GLU A 149 5.669 -8.962 -3.187 1.00 0.30 H new ATOM 0 HA GLU A 149 5.279 -11.765 -3.282 1.00 0.28 H new ATOM 0 HB2 GLU A 149 3.678 -9.357 -3.418 1.00 0.35 H new ATOM 0 HB3 GLU A 149 3.178 -10.464 -4.681 1.00 0.35 H new ATOM 0 HG2 GLU A 149 3.433 -11.157 -1.723 1.00 0.63 H new ATOM 0 HG3 GLU A 149 1.930 -10.828 -2.560 1.00 0.63 H new ATOM 2441 N LYS A 150 4.945 -12.343 -5.819 1.00 0.26 N ATOM 2442 CA LYS A 150 5.099 -12.683 -7.221 1.00 0.34 C ATOM 2443 C LYS A 150 4.027 -11.947 -8.011 1.00 0.37 C ATOM 2444 O LYS A 150 2.901 -12.412 -8.165 1.00 0.46 O ATOM 2445 CB LYS A 150 5.137 -14.201 -7.425 1.00 0.45 C ATOM 2446 CG LYS A 150 3.910 -14.985 -6.938 1.00 1.74 C ATOM 2447 CD LYS A 150 2.985 -15.450 -8.074 1.00 3.44 C ATOM 2448 CE LYS A 150 2.317 -16.769 -7.684 1.00 4.15 C ATOM 2449 NZ LYS A 150 1.509 -16.627 -6.452 1.00 5.37 N ATOM 0 H LYS A 150 4.459 -13.041 -5.256 1.00 0.26 H new ATOM 0 HA LYS A 150 6.062 -12.349 -7.606 1.00 0.34 H new ATOM 0 HB2 LYS A 150 5.270 -14.400 -8.488 1.00 0.45 H new ATOM 0 HB3 LYS A 150 6.017 -14.593 -6.915 1.00 0.45 H new ATOM 0 HG2 LYS A 150 4.246 -15.856 -6.375 1.00 1.74 H new ATOM 0 HG3 LYS A 150 3.340 -14.361 -6.250 1.00 1.74 H new ATOM 0 HD2 LYS A 150 2.227 -14.692 -8.273 1.00 3.44 H new ATOM 0 HD3 LYS A 150 3.557 -15.578 -8.993 1.00 3.44 H new ATOM 0 HE2 LYS A 150 1.680 -17.110 -8.500 1.00 4.15 H new ATOM 0 HE3 LYS A 150 3.080 -17.533 -7.534 1.00 4.15 H new ATOM 0 HZ1 LYS A 150 0.977 -17.505 -6.283 1.00 5.37 H new ATOM 0 HZ2 LYS A 150 2.137 -16.441 -5.644 1.00 5.37 H new ATOM 0 HZ3 LYS A 150 0.844 -15.835 -6.562 1.00 5.37 H new ATOM 2463 N ARG A 151 4.381 -10.758 -8.499 1.00 0.39 N ATOM 2464 CA ARG A 151 3.493 -9.961 -9.332 1.00 0.42 C ATOM 2465 C ARG A 151 3.087 -10.777 -10.563 1.00 0.54 C ATOM 2466 O ARG A 151 3.805 -11.695 -10.965 1.00 0.61 O ATOM 2467 CB ARG A 151 4.148 -8.604 -9.666 1.00 0.54 C ATOM 2468 CG ARG A 151 4.873 -8.475 -11.011 1.00 0.89 C ATOM 2469 CD ARG A 151 6.007 -9.493 -11.200 1.00 1.07 C ATOM 2470 NE ARG A 151 5.823 -10.292 -12.414 1.00 1.35 N ATOM 2471 CZ ARG A 151 6.504 -11.411 -12.673 1.00 2.02 C ATOM 2472 NH1 ARG A 151 6.057 -12.261 -13.596 1.00 2.57 N ATOM 2473 NH2 ARG A 151 7.627 -11.675 -12.009 1.00 3.16 N ATOM 0 H ARG A 151 5.288 -10.325 -8.327 1.00 0.39 H new ATOM 0 HA ARG A 151 2.574 -9.721 -8.797 1.00 0.42 H new ATOM 0 HB2 ARG A 151 3.373 -7.839 -9.628 1.00 0.54 H new ATOM 0 HB3 ARG A 151 4.863 -8.373 -8.876 1.00 0.54 H new ATOM 0 HG2 ARG A 151 4.149 -8.596 -11.817 1.00 0.89 H new ATOM 0 HG3 ARG A 151 5.282 -7.468 -11.099 1.00 0.89 H new ATOM 0 HD2 ARG A 151 6.961 -8.969 -11.251 1.00 1.07 H new ATOM 0 HD3 ARG A 151 6.051 -10.153 -10.334 1.00 1.07 H new ATOM 0 HE ARG A 151 5.137 -9.976 -13.099 1.00 1.35 H new ATOM 0 HH11 ARG A 151 5.196 -12.057 -14.103 1.00 2.57 H new ATOM 0 HH12 ARG A 151 6.576 -13.116 -13.795 1.00 2.57 H new ATOM 0 HH21 ARG A 151 7.967 -11.023 -11.303 1.00 3.16 H new ATOM 0 HH22 ARG A 151 8.147 -12.530 -12.207 1.00 3.16 H new ATOM 2487 N PRO A 152 1.937 -10.472 -11.169 1.00 0.63 N ATOM 2488 CA PRO A 152 1.479 -11.194 -12.340 1.00 0.76 C ATOM 2489 C PRO A 152 2.383 -10.860 -13.531 1.00 0.85 C ATOM 2490 O PRO A 152 3.114 -9.874 -13.510 1.00 0.87 O ATOM 2491 CB PRO A 152 0.028 -10.747 -12.533 1.00 0.85 C ATOM 2492 CG PRO A 152 -0.039 -9.360 -11.885 1.00 0.80 C ATOM 2493 CD PRO A 152 1.063 -9.367 -10.826 1.00 0.64 C ATOM 0 HA PRO A 152 1.524 -12.278 -12.237 1.00 0.76 H new ATOM 0 HB2 PRO A 152 -0.236 -10.704 -13.590 1.00 0.85 H new ATOM 0 HB3 PRO A 152 -0.667 -11.440 -12.059 1.00 0.85 H new ATOM 0 HG2 PRO A 152 0.125 -8.572 -12.620 1.00 0.80 H new ATOM 0 HG3 PRO A 152 -1.016 -9.180 -11.437 1.00 0.80 H new ATOM 0 HD2 PRO A 152 1.609 -8.423 -10.824 1.00 0.64 H new ATOM 0 HD3 PRO A 152 0.645 -9.495 -9.828 1.00 0.64 H new ATOM 2501 N VAL A 153 2.369 -11.679 -14.583 1.00 1.02 N ATOM 2502 CA VAL A 153 3.003 -11.284 -15.842 1.00 1.18 C ATOM 2503 C VAL A 153 2.233 -10.125 -16.488 1.00 1.33 C ATOM 2504 O VAL A 153 2.835 -9.311 -17.180 1.00 1.54 O ATOM 2505 CB VAL A 153 3.161 -12.488 -16.785 1.00 1.51 C ATOM 2506 CG1 VAL A 153 4.221 -13.440 -16.213 1.00 1.91 C ATOM 2507 CG2 VAL A 153 1.864 -13.277 -17.001 1.00 1.69 C ATOM 0 H VAL A 153 1.935 -12.602 -14.591 1.00 1.02 H new ATOM 0 HA VAL A 153 4.010 -10.924 -15.631 1.00 1.18 H new ATOM 0 HB VAL A 153 3.457 -12.085 -17.754 1.00 1.51 H new ATOM 0 HG11 VAL A 153 4.338 -14.296 -16.877 1.00 1.91 H new ATOM 0 HG12 VAL A 153 5.173 -12.915 -16.127 1.00 1.91 H new ATOM 0 HG13 VAL A 153 3.906 -13.785 -15.228 1.00 1.91 H new ATOM 0 HG21 VAL A 153 2.054 -14.111 -17.677 1.00 1.69 H new ATOM 0 HG22 VAL A 153 1.507 -13.659 -16.045 1.00 1.69 H new ATOM 0 HG23 VAL A 153 1.108 -12.623 -17.435 1.00 1.69 H new ATOM 2517 N ASP A 154 0.931 -10.045 -16.195 1.00 1.48 N ATOM 2518 CA ASP A 154 -0.040 -9.121 -16.774 1.00 1.94 C ATOM 2519 C ASP A 154 -0.289 -9.457 -18.241 1.00 2.70 C ATOM 2520 O ASP A 154 -0.799 -8.579 -18.966 1.00 3.81 O ATOM 2521 CB ASP A 154 0.318 -7.647 -16.491 1.00 3.53 C ATOM 2522 CG ASP A 154 -0.929 -6.789 -16.233 1.00 4.41 C ATOM 2523 OD1 ASP A 154 -1.739 -7.222 -15.373 1.00 4.59 O ATOM 2524 OD2 ASP A 154 -1.041 -5.682 -16.806 1.00 5.68 O ATOM 2525 OXT ASP A 154 -0.056 -10.639 -18.584 1.00 3.53 O ATOM 0 H ASP A 154 0.505 -10.663 -15.505 1.00 1.48 H new ATOM 0 HA ASP A 154 -1.000 -9.255 -16.275 1.00 1.94 H new ATOM 0 HB2 ASP A 154 0.979 -7.595 -15.626 1.00 3.53 H new ATOM 0 HB3 ASP A 154 0.869 -7.239 -17.338 1.00 3.53 H new TER 2530 ASP A 154