USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 290 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 Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.42) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.324 K(o=-0.32,f=-1.4) USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 88 -17.732 -28.940 1.139 1.00 0.00 N ATOM 2 CA ILE A 88 -17.999 -27.513 1.008 1.00 0.00 C ATOM 3 C ILE A 88 -17.231 -26.712 2.053 1.00 0.00 C ATOM 4 O ILE A 88 -16.819 -25.579 1.803 1.00 0.00 O ATOM 5 CB ILE A 88 -19.501 -27.206 1.145 1.00 0.00 C ATOM 6 CG1 ILE A 88 -19.768 -25.724 0.874 1.00 0.00 C ATOM 7 CG2 ILE A 88 -19.998 -27.595 2.529 1.00 0.00 C ATOM 8 CD1 ILE A 88 -20.827 -25.483 -0.180 1.00 0.00 C ATOM 0 HA ILE A 88 -17.666 -27.220 0.012 1.00 0.00 H new ATOM 0 HB ILE A 88 -20.045 -27.795 0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -20.075 -25.243 1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -18.839 -25.247 0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -21.062 -27.372 2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -19.838 -28.662 2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -19.451 -27.031 3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -20.964 -24.411 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -20.513 -25.935 -1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -21.768 -25.930 0.141 1.00 0.00 H new ATOM 20 N ASP A 89 -17.040 -27.309 3.225 1.00 0.00 N ATOM 21 CA ASP A 89 -16.318 -26.653 4.309 1.00 0.00 C ATOM 22 C ASP A 89 -14.916 -26.249 3.863 1.00 0.00 C ATOM 23 O ASP A 89 -14.376 -25.240 4.315 1.00 0.00 O ATOM 24 CB ASP A 89 -16.234 -27.575 5.526 1.00 0.00 C ATOM 25 CG ASP A 89 -17.599 -27.922 6.086 1.00 0.00 C ATOM 26 OD1 ASP A 89 -18.245 -27.027 6.670 1.00 0.00 O ATOM 27 OD2 ASP A 89 -18.022 -29.088 5.941 1.00 0.00 O ATOM 0 H ASP A 89 -17.375 -28.246 3.448 1.00 0.00 H new ATOM 0 HA ASP A 89 -16.866 -25.751 4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -15.715 -28.492 5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -15.638 -27.094 6.302 1.00 0.00 H new ATOM 32 N VAL A 90 -14.332 -27.045 2.973 1.00 0.00 N ATOM 33 CA VAL A 90 -12.993 -26.772 2.466 1.00 0.00 C ATOM 34 C VAL A 90 -12.993 -25.558 1.542 1.00 0.00 C ATOM 35 O VAL A 90 -12.023 -24.801 1.494 1.00 0.00 O ATOM 36 CB VAL A 90 -12.423 -27.983 1.704 1.00 0.00 C ATOM 37 CG1 VAL A 90 -12.257 -29.172 2.638 1.00 0.00 C ATOM 38 CG2 VAL A 90 -13.318 -28.340 0.526 1.00 0.00 C ATOM 0 H VAL A 90 -14.766 -27.884 2.588 1.00 0.00 H new ATOM 0 HA VAL A 90 -12.362 -26.568 3.331 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.440 -27.717 1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.853 -30.018 2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -11.573 -28.908 3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.226 -29.443 3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.900 -29.198 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -14.316 -28.588 0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.380 -27.491 -0.154 1.00 0.00 H new ATOM 48 N LEU A 91 -14.088 -25.378 0.811 1.00 0.00 N ATOM 49 CA LEU A 91 -14.215 -24.255 -0.112 1.00 0.00 C ATOM 50 C LEU A 91 -13.925 -22.935 0.594 1.00 0.00 C ATOM 51 O LEU A 91 -13.193 -22.091 0.077 1.00 0.00 O ATOM 52 CB LEU A 91 -15.619 -24.225 -0.718 1.00 0.00 C ATOM 53 CG LEU A 91 -15.707 -23.810 -2.188 1.00 0.00 C ATOM 54 CD1 LEU A 91 -17.037 -24.242 -2.785 1.00 0.00 C ATOM 55 CD2 LEU A 91 -15.519 -22.307 -2.330 1.00 0.00 C ATOM 0 H LEU A 91 -14.900 -25.995 0.839 1.00 0.00 H new ATOM 0 HA LEU A 91 -13.484 -24.387 -0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -16.059 -25.217 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -16.232 -23.541 -0.131 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.907 -24.309 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -17.082 -23.939 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -17.131 -25.326 -2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -17.852 -23.772 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -15.585 -22.030 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -16.296 -21.788 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -14.541 -22.024 -1.941 1.00 0.00 H new ATOM 67 N ARG A 92 -14.503 -22.764 1.778 1.00 0.00 N ATOM 68 CA ARG A 92 -14.306 -21.546 2.557 1.00 0.00 C ATOM 69 C ARG A 92 -12.827 -21.333 2.867 1.00 0.00 C ATOM 70 O ARG A 92 -12.358 -20.199 2.955 1.00 0.00 O ATOM 71 CB ARG A 92 -15.108 -21.611 3.858 1.00 0.00 C ATOM 72 CG ARG A 92 -16.612 -21.547 3.649 1.00 0.00 C ATOM 73 CD ARG A 92 -17.365 -21.787 4.948 1.00 0.00 C ATOM 74 NE ARG A 92 -18.812 -21.745 4.758 1.00 0.00 N ATOM 75 CZ ARG A 92 -19.686 -21.774 5.758 1.00 0.00 C ATOM 76 NH1 ARG A 92 -19.261 -21.845 7.012 1.00 0.00 N ATOM 77 NH2 ARG A 92 -20.988 -21.733 5.505 1.00 0.00 N ATOM 0 H ARG A 92 -15.112 -23.453 2.220 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.660 -20.703 1.963 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -14.861 -22.535 4.381 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.804 -20.787 4.504 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -16.883 -20.572 3.245 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -16.910 -22.292 2.911 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -17.081 -22.756 5.358 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -17.074 -21.034 5.680 1.00 0.00 H new ATOM 0 HE ARG A 92 -19.172 -21.690 3.805 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -18.261 -21.877 7.211 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -19.934 -21.867 7.778 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -21.319 -21.679 4.542 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -21.658 -21.755 6.274 1.00 0.00 H new ATOM 91 N ALA A 93 -12.099 -22.433 3.035 1.00 0.00 N ATOM 92 CA ALA A 93 -10.674 -22.366 3.335 1.00 0.00 C ATOM 93 C ALA A 93 -9.900 -21.732 2.185 1.00 0.00 C ATOM 94 O ALA A 93 -9.122 -20.799 2.387 1.00 0.00 O ATOM 95 CB ALA A 93 -10.133 -23.757 3.634 1.00 0.00 C ATOM 0 H ALA A 93 -12.472 -23.380 2.968 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.542 -21.738 4.216 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.068 -23.693 3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.659 -24.175 4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.285 -24.400 2.767 1.00 0.00 H new ATOM 101 N LYS A 94 -10.117 -22.243 0.978 1.00 0.00 N ATOM 102 CA LYS A 94 -9.440 -21.726 -0.205 1.00 0.00 C ATOM 103 C LYS A 94 -9.867 -20.290 -0.492 1.00 0.00 C ATOM 104 O LYS A 94 -9.070 -19.478 -0.962 1.00 0.00 O ATOM 105 CB LYS A 94 -9.740 -22.611 -1.417 1.00 0.00 C ATOM 106 CG LYS A 94 -8.538 -22.840 -2.317 1.00 0.00 C ATOM 107 CD LYS A 94 -8.831 -22.435 -3.752 1.00 0.00 C ATOM 108 CE LYS A 94 -7.567 -21.994 -4.475 1.00 0.00 C ATOM 109 NZ LYS A 94 -7.852 -21.545 -5.866 1.00 0.00 N ATOM 0 H LYS A 94 -10.757 -23.015 0.793 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.367 -21.736 -0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.111 -23.575 -1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.539 -22.154 -2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.688 -22.269 -1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.254 -23.892 -2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.282 -23.273 -4.283 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.559 -21.624 -3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.096 -21.182 -3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.855 -22.819 -4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.966 -21.253 -6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.278 -22.327 -6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.511 -20.741 -5.843 1.00 0.00 H new ATOM 123 N ALA A 95 -11.128 -19.984 -0.206 1.00 0.00 N ATOM 124 CA ALA A 95 -11.659 -18.645 -0.430 1.00 0.00 C ATOM 125 C ALA A 95 -10.947 -17.619 0.444 1.00 0.00 C ATOM 126 O ALA A 95 -10.722 -16.483 0.027 1.00 0.00 O ATOM 127 CB ALA A 95 -13.157 -18.620 -0.164 1.00 0.00 C ATOM 0 H ALA A 95 -11.801 -20.645 0.181 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.482 -18.380 -1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.540 -17.614 -0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.657 -19.318 -0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.348 -18.910 0.869 1.00 0.00 H new ATOM 133 N ALA A 96 -10.596 -18.025 1.659 1.00 0.00 N ATOM 134 CA ALA A 96 -9.908 -17.141 2.592 1.00 0.00 C ATOM 135 C ALA A 96 -8.502 -16.811 2.101 1.00 0.00 C ATOM 136 O ALA A 96 -7.956 -15.753 2.415 1.00 0.00 O ATOM 137 CB ALA A 96 -9.850 -17.774 3.975 1.00 0.00 C ATOM 0 H ALA A 96 -10.777 -18.961 2.021 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.472 -16.210 2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.334 -17.103 4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -10.863 -17.953 4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.312 -18.720 3.920 1.00 0.00 H new ATOM 143 N LYS A 97 -7.921 -17.722 1.328 1.00 0.00 N ATOM 144 CA LYS A 97 -6.579 -17.528 0.792 1.00 0.00 C ATOM 145 C LYS A 97 -6.576 -16.456 -0.293 1.00 0.00 C ATOM 146 O LYS A 97 -5.732 -15.561 -0.290 1.00 0.00 O ATOM 147 CB LYS A 97 -6.039 -18.843 0.226 1.00 0.00 C ATOM 148 CG LYS A 97 -5.133 -19.594 1.188 1.00 0.00 C ATOM 149 CD LYS A 97 -3.672 -19.460 0.795 1.00 0.00 C ATOM 150 CE LYS A 97 -3.120 -20.767 0.246 1.00 0.00 C ATOM 151 NZ LYS A 97 -3.232 -20.835 -1.238 1.00 0.00 N ATOM 0 H LYS A 97 -8.359 -18.603 1.058 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.934 -17.198 1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.878 -19.484 -0.045 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.488 -18.635 -0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.276 -19.211 2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.411 -20.648 1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.566 -18.676 0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.088 -19.153 1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.075 -20.871 0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.659 -21.604 0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.845 -21.740 -1.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.232 -20.761 -1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.697 -20.051 -1.663 1.00 0.00 H new ATOM 165 N GLU A 98 -7.526 -16.553 -1.217 1.00 0.00 N ATOM 166 CA GLU A 98 -7.632 -15.591 -2.307 1.00 0.00 C ATOM 167 C GLU A 98 -7.714 -14.165 -1.768 1.00 0.00 C ATOM 168 O GLU A 98 -7.130 -13.242 -2.335 1.00 0.00 O ATOM 169 CB GLU A 98 -8.861 -15.893 -3.167 1.00 0.00 C ATOM 170 CG GLU A 98 -8.950 -15.041 -4.422 1.00 0.00 C ATOM 171 CD GLU A 98 -7.799 -15.288 -5.378 1.00 0.00 C ATOM 172 OE1 GLU A 98 -7.615 -16.449 -5.799 1.00 0.00 O ATOM 173 OE2 GLU A 98 -7.082 -14.319 -5.705 1.00 0.00 O ATOM 0 H GLU A 98 -8.233 -17.288 -1.233 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.737 -15.679 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.845 -16.945 -3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.759 -15.739 -2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.891 -15.248 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.965 -13.988 -4.141 1.00 0.00 H new ATOM 180 N ARG A 99 -8.443 -13.995 -0.670 1.00 0.00 N ATOM 181 CA ARG A 99 -8.603 -12.683 -0.055 1.00 0.00 C ATOM 182 C ARG A 99 -7.262 -12.147 0.439 1.00 0.00 C ATOM 183 O ARG A 99 -7.008 -10.944 0.389 1.00 0.00 O ATOM 184 CB ARG A 99 -9.593 -12.759 1.109 1.00 0.00 C ATOM 185 CG ARG A 99 -10.608 -11.627 1.119 1.00 0.00 C ATOM 186 CD ARG A 99 -11.950 -12.076 0.564 1.00 0.00 C ATOM 187 NE ARG A 99 -11.918 -12.225 -0.889 1.00 0.00 N ATOM 188 CZ ARG A 99 -12.978 -12.560 -1.616 1.00 0.00 C ATOM 189 NH1 ARG A 99 -14.147 -12.779 -1.030 1.00 0.00 N ATOM 190 NH2 ARG A 99 -12.870 -12.675 -2.934 1.00 0.00 N ATOM 0 H ARG A 99 -8.932 -14.749 -0.188 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.992 -12.001 -0.811 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.123 -13.711 1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.039 -12.748 2.048 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.738 -11.263 2.138 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.230 -10.793 0.528 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.232 -13.025 1.020 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -12.717 -11.351 0.838 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.034 -12.063 -1.371 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -14.235 -12.690 -0.018 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.959 -13.036 -1.592 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.973 -12.506 -3.389 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.684 -12.932 -3.492 1.00 0.00 H new ATOM 204 N ALA A 100 -6.410 -13.048 0.916 1.00 0.00 N ATOM 205 CA ALA A 100 -5.096 -12.666 1.417 1.00 0.00 C ATOM 206 C ALA A 100 -4.225 -12.099 0.301 1.00 0.00 C ATOM 207 O ALA A 100 -3.702 -10.991 0.412 1.00 0.00 O ATOM 208 CB ALA A 100 -4.411 -13.860 2.067 1.00 0.00 C ATOM 0 H ALA A 100 -6.606 -14.048 0.966 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.234 -11.887 2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.430 -13.560 2.437 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.018 -14.220 2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.294 -14.657 1.332 1.00 0.00 H new ATOM 214 N GLU A 101 -4.076 -12.866 -0.775 1.00 0.00 N ATOM 215 CA GLU A 101 -3.268 -12.439 -1.911 1.00 0.00 C ATOM 216 C GLU A 101 -3.728 -11.078 -2.425 1.00 0.00 C ATOM 217 O GLU A 101 -2.912 -10.241 -2.813 1.00 0.00 O ATOM 218 CB GLU A 101 -3.342 -13.473 -3.036 1.00 0.00 C ATOM 219 CG GLU A 101 -1.985 -14.007 -3.463 1.00 0.00 C ATOM 220 CD GLU A 101 -2.094 -15.192 -4.403 1.00 0.00 C ATOM 221 OE1 GLU A 101 -2.985 -16.039 -4.190 1.00 0.00 O ATOM 222 OE2 GLU A 101 -1.287 -15.270 -5.354 1.00 0.00 O ATOM 0 H GLU A 101 -4.504 -13.785 -0.883 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.235 -12.351 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.965 -14.306 -2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.834 -13.024 -3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.423 -13.211 -3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.419 -14.300 -2.579 1.00 0.00 H new ATOM 229 N ARG A 102 -5.039 -10.865 -2.424 1.00 0.00 N ATOM 230 CA ARG A 102 -5.609 -9.607 -2.892 1.00 0.00 C ATOM 231 C ARG A 102 -5.086 -8.433 -2.069 1.00 0.00 C ATOM 232 O ARG A 102 -4.511 -7.489 -2.610 1.00 0.00 O ATOM 233 CB ARG A 102 -7.136 -9.655 -2.817 1.00 0.00 C ATOM 234 CG ARG A 102 -7.823 -9.175 -4.086 1.00 0.00 C ATOM 235 CD ARG A 102 -8.496 -7.827 -3.879 1.00 0.00 C ATOM 236 NE ARG A 102 -7.548 -6.721 -3.983 1.00 0.00 N ATOM 237 CZ ARG A 102 -7.792 -5.498 -3.524 1.00 0.00 C ATOM 238 NH1 ARG A 102 -8.948 -5.227 -2.934 1.00 0.00 N ATOM 239 NH2 ARG A 102 -6.879 -4.544 -3.656 1.00 0.00 N ATOM 0 H ARG A 102 -5.727 -11.547 -2.104 1.00 0.00 H new ATOM 0 HA ARG A 102 -5.307 -9.465 -3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.449 -10.678 -2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.470 -9.043 -1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.091 -9.098 -4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.565 -9.909 -4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -9.286 -7.699 -4.619 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.972 -7.806 -2.898 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.649 -6.897 -4.433 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -9.652 -5.958 -2.832 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -9.133 -4.288 -2.582 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.989 -4.749 -4.110 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.067 -3.606 -3.303 1.00 0.00 H new ATOM 253 N ARG A 103 -5.290 -8.501 -0.757 1.00 0.00 N ATOM 254 CA ARG A 103 -4.840 -7.444 0.141 1.00 0.00 C ATOM 255 C ARG A 103 -3.321 -7.306 0.101 1.00 0.00 C ATOM 256 O ARG A 103 -2.779 -6.223 0.327 1.00 0.00 O ATOM 257 CB ARG A 103 -5.299 -7.731 1.572 1.00 0.00 C ATOM 258 CG ARG A 103 -6.375 -6.779 2.069 1.00 0.00 C ATOM 259 CD ARG A 103 -5.784 -5.445 2.496 1.00 0.00 C ATOM 260 NE ARG A 103 -5.124 -5.530 3.796 1.00 0.00 N ATOM 261 CZ ARG A 103 -5.778 -5.570 4.951 1.00 0.00 C ATOM 262 NH1 ARG A 103 -7.103 -5.535 4.968 1.00 0.00 N ATOM 263 NH2 ARG A 103 -5.106 -5.647 6.093 1.00 0.00 N ATOM 0 H ARG A 103 -5.763 -9.276 -0.293 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.282 -6.505 -0.194 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -5.676 -8.752 1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.439 -7.674 2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -7.111 -6.617 1.281 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.902 -7.231 2.910 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.067 -5.110 1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -6.574 -4.695 2.539 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.105 -5.560 3.818 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.623 -5.477 4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.603 -5.566 5.857 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -4.086 -5.675 6.084 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -5.609 -5.678 6.980 1.00 0.00 H new ATOM 277 N LEU A 104 -2.639 -8.409 -0.186 1.00 0.00 N ATOM 278 CA LEU A 104 -1.183 -8.412 -0.256 1.00 0.00 C ATOM 279 C LEU A 104 -0.704 -8.155 -1.681 1.00 0.00 C ATOM 280 O LEU A 104 0.460 -8.387 -2.006 1.00 0.00 O ATOM 281 CB LEU A 104 -0.631 -9.747 0.247 1.00 0.00 C ATOM 282 CG LEU A 104 0.575 -9.666 1.181 1.00 0.00 C ATOM 283 CD1 LEU A 104 0.318 -10.457 2.454 1.00 0.00 C ATOM 284 CD2 LEU A 104 1.828 -10.172 0.480 1.00 0.00 C ATOM 0 H LEU A 104 -3.072 -9.313 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.813 -7.609 0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.431 -10.276 0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.356 -10.352 -0.617 1.00 0.00 H new ATOM 0 HG LEU A 104 0.731 -8.622 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.188 -10.388 3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.554 -10.049 2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.135 -11.502 2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.677 -10.107 1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.683 -11.210 0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.023 -9.562 -0.402 1.00 0.00 H new ATOM 296 N GLN A 105 -1.610 -7.673 -2.526 1.00 0.00 N ATOM 297 CA GLN A 105 -1.280 -7.384 -3.917 1.00 0.00 C ATOM 298 C GLN A 105 -0.757 -5.959 -4.066 1.00 0.00 C ATOM 299 O GLN A 105 -1.230 -5.199 -4.911 1.00 0.00 O ATOM 300 CB GLN A 105 -2.507 -7.585 -4.807 1.00 0.00 C ATOM 301 CG GLN A 105 -2.167 -8.031 -6.220 1.00 0.00 C ATOM 302 CD GLN A 105 -1.340 -9.301 -6.248 1.00 0.00 C ATOM 303 OE1 GLN A 105 -1.404 -10.118 -5.329 1.00 0.00 O ATOM 304 NE2 GLN A 105 -0.557 -9.475 -7.306 1.00 0.00 N ATOM 0 H GLN A 105 -2.578 -7.474 -2.272 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.497 -8.075 -4.230 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.161 -8.327 -4.348 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.068 -6.652 -4.855 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.089 -8.190 -6.778 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.621 -7.235 -6.727 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.535 -8.772 -8.045 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.022 -10.311 -7.380 1.00 0.00 H new ATOM 313 N SER A 106 0.222 -5.604 -3.241 1.00 0.00 N ATOM 314 CA SER A 106 0.807 -4.268 -3.278 1.00 0.00 C ATOM 315 C SER A 106 1.983 -4.217 -4.250 1.00 0.00 C ATOM 316 O SER A 106 2.242 -3.189 -4.873 1.00 0.00 O ATOM 317 CB SER A 106 1.267 -3.850 -1.881 1.00 0.00 C ATOM 318 OG SER A 106 2.343 -4.657 -1.434 1.00 0.00 O ATOM 0 H SER A 106 0.627 -6.222 -2.538 1.00 0.00 H new ATOM 0 HA SER A 106 0.042 -3.573 -3.623 1.00 0.00 H new ATOM 0 HB2 SER A 106 1.574 -2.804 -1.894 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.434 -3.929 -1.182 1.00 0.00 H new ATOM 0 HG SER A 106 2.619 -4.368 -0.539 1.00 0.00 H new ATOM 324 N GLN A 107 2.691 -5.336 -4.370 1.00 0.00 N ATOM 325 CA GLN A 107 3.840 -5.419 -5.264 1.00 0.00 C ATOM 326 C GLN A 107 3.445 -5.062 -6.693 1.00 0.00 C ATOM 327 O GLN A 107 4.255 -4.540 -7.458 1.00 0.00 O ATOM 328 CB GLN A 107 4.443 -6.825 -5.224 1.00 0.00 C ATOM 329 CG GLN A 107 5.955 -6.834 -5.074 1.00 0.00 C ATOM 330 CD GLN A 107 6.670 -6.383 -6.332 1.00 0.00 C ATOM 331 OE1 GLN A 107 6.665 -5.200 -6.673 1.00 0.00 O ATOM 332 NE2 GLN A 107 7.290 -7.326 -7.032 1.00 0.00 N ATOM 0 H GLN A 107 2.489 -6.196 -3.860 1.00 0.00 H new ATOM 0 HA GLN A 107 4.586 -4.701 -4.924 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.001 -7.378 -4.395 1.00 0.00 H new ATOM 0 HB3 GLN A 107 4.174 -7.353 -6.139 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.238 -6.183 -4.247 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.284 -7.840 -4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.269 -8.295 -6.713 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.787 -7.082 -7.888 1.00 0.00 H new ATOM 341 N GLN A 108 2.196 -5.348 -7.045 1.00 0.00 N ATOM 342 CA GLN A 108 1.695 -5.058 -8.383 1.00 0.00 C ATOM 343 C GLN A 108 1.613 -3.553 -8.620 1.00 0.00 C ATOM 344 O GLN A 108 1.688 -3.088 -9.757 1.00 0.00 O ATOM 345 CB GLN A 108 0.317 -5.693 -8.584 1.00 0.00 C ATOM 346 CG GLN A 108 0.300 -6.787 -9.639 1.00 0.00 C ATOM 347 CD GLN A 108 -1.101 -7.119 -10.112 1.00 0.00 C ATOM 348 OE1 GLN A 108 -2.068 -6.996 -9.360 1.00 0.00 O ATOM 349 NE2 GLN A 108 -1.219 -7.544 -11.365 1.00 0.00 N ATOM 0 H GLN A 108 1.513 -5.780 -6.423 1.00 0.00 H new ATOM 0 HA GLN A 108 2.393 -5.484 -9.104 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.024 -6.109 -7.636 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -0.394 -4.917 -8.866 1.00 0.00 H new ATOM 0 HG2 GLN A 108 0.903 -6.474 -10.492 1.00 0.00 H new ATOM 0 HG3 GLN A 108 0.765 -7.685 -9.233 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -0.391 -7.631 -11.954 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -2.138 -7.783 -11.738 1.00 0.00 H new ATOM 358 N ASP A 109 1.458 -2.797 -7.538 1.00 0.00 N ATOM 359 CA ASP A 109 1.366 -1.344 -7.628 1.00 0.00 C ATOM 360 C ASP A 109 2.723 -0.698 -7.368 1.00 0.00 C ATOM 361 O ASP A 109 2.809 0.358 -6.740 1.00 0.00 O ATOM 362 CB ASP A 109 0.336 -0.815 -6.629 1.00 0.00 C ATOM 363 CG ASP A 109 -0.861 -1.735 -6.490 1.00 0.00 C ATOM 364 OD1 ASP A 109 -0.811 -2.646 -5.637 1.00 0.00 O ATOM 365 OD2 ASP A 109 -1.847 -1.544 -7.233 1.00 0.00 O ATOM 0 H ASP A 109 1.393 -3.166 -6.589 1.00 0.00 H new ATOM 0 HA ASP A 109 1.047 -1.085 -8.638 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.810 -0.690 -5.655 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -0.002 0.171 -6.948 1.00 0.00 H new ATOM 382 N ILE A 111 4.691 0.604 -9.581 1.00 0.00 N ATOM 383 CA ILE A 111 4.786 1.814 -10.389 1.00 0.00 C ATOM 384 C ILE A 111 4.365 3.043 -9.589 1.00 0.00 C ATOM 385 O ILE A 111 4.883 4.140 -9.798 1.00 0.00 O ATOM 386 CB ILE A 111 3.914 1.717 -11.655 1.00 0.00 C ATOM 387 CG1 ILE A 111 4.324 0.502 -12.490 1.00 0.00 C ATOM 388 CG2 ILE A 111 4.027 2.993 -12.475 1.00 0.00 C ATOM 389 CD1 ILE A 111 3.370 0.199 -13.623 1.00 0.00 C ATOM 0 HA ILE A 111 5.830 1.914 -10.684 1.00 0.00 H new ATOM 0 HB ILE A 111 2.874 1.593 -11.354 1.00 0.00 H new ATOM 0 HG12 ILE A 111 5.320 0.672 -12.900 1.00 0.00 H new ATOM 0 HG13 ILE A 111 4.392 -0.370 -11.839 1.00 0.00 H new ATOM 0 HG21 ILE A 111 3.405 2.909 -13.366 1.00 0.00 H new ATOM 0 HG22 ILE A 111 3.692 3.841 -11.877 1.00 0.00 H new ATOM 0 HG23 ILE A 111 5.065 3.145 -12.770 1.00 0.00 H new ATOM 0 HD11 ILE A 111 3.723 -0.674 -14.172 1.00 0.00 H new ATOM 0 HD12 ILE A 111 2.378 -0.003 -13.219 1.00 0.00 H new ATOM 0 HD13 ILE A 111 3.321 1.055 -14.296 1.00 0.00 H new ATOM 401 N ASP A 112 3.425 2.850 -8.671 1.00 0.00 N ATOM 402 CA ASP A 112 2.936 3.942 -7.836 1.00 0.00 C ATOM 403 C ASP A 112 3.793 4.095 -6.584 1.00 0.00 C ATOM 404 O ASP A 112 3.906 5.186 -6.026 1.00 0.00 O ATOM 405 CB ASP A 112 1.477 3.699 -7.445 1.00 0.00 C ATOM 406 CG ASP A 112 0.715 4.990 -7.222 1.00 0.00 C ATOM 407 OD1 ASP A 112 0.978 5.968 -7.953 1.00 0.00 O ATOM 408 OD2 ASP A 112 -0.143 5.024 -6.315 1.00 0.00 O ATOM 0 H ASP A 112 2.986 1.948 -8.486 1.00 0.00 H new ATOM 0 HA ASP A 112 3.001 4.865 -8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 112 0.986 3.121 -8.228 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.443 3.099 -6.536 1.00 0.00 H new ATOM 413 N PHE A 113 4.395 2.993 -6.147 1.00 0.00 N ATOM 414 CA PHE A 113 5.241 3.004 -4.959 1.00 0.00 C ATOM 415 C PHE A 113 6.518 3.801 -5.209 1.00 0.00 C ATOM 416 O PHE A 113 6.969 4.559 -4.350 1.00 0.00 O ATOM 417 CB PHE A 113 5.591 1.574 -4.544 1.00 0.00 C ATOM 418 CG PHE A 113 6.507 1.502 -3.355 1.00 0.00 C ATOM 419 CD1 PHE A 113 6.085 1.946 -2.112 1.00 0.00 C ATOM 420 CD2 PHE A 113 7.788 0.990 -3.480 1.00 0.00 C ATOM 421 CE1 PHE A 113 6.925 1.882 -1.017 1.00 0.00 C ATOM 422 CE2 PHE A 113 8.633 0.923 -2.388 1.00 0.00 C ATOM 423 CZ PHE A 113 8.200 1.369 -1.155 1.00 0.00 C ATOM 0 H PHE A 113 4.313 2.082 -6.598 1.00 0.00 H new ATOM 0 HA PHE A 113 4.687 3.483 -4.152 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.671 1.035 -4.317 1.00 0.00 H new ATOM 0 HB3 PHE A 113 6.060 1.064 -5.386 1.00 0.00 H new ATOM 0 HD1 PHE A 113 5.088 2.346 -1.998 1.00 0.00 H new ATOM 0 HD2 PHE A 113 8.131 0.639 -4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.585 2.233 -0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 113 9.630 0.523 -2.499 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.857 1.317 -0.300 1.00 0.00 H new ATOM 433 N LYS A 114 7.098 3.623 -6.391 1.00 0.00 N ATOM 434 CA LYS A 114 8.323 4.325 -6.756 1.00 0.00 C ATOM 435 C LYS A 114 8.073 5.824 -6.887 1.00 0.00 C ATOM 436 O LYS A 114 8.976 6.634 -6.677 1.00 0.00 O ATOM 437 CB LYS A 114 8.879 3.773 -8.071 1.00 0.00 C ATOM 438 CG LYS A 114 10.374 3.983 -8.235 1.00 0.00 C ATOM 439 CD LYS A 114 10.750 4.202 -9.691 1.00 0.00 C ATOM 440 CE LYS A 114 11.192 2.907 -10.354 1.00 0.00 C ATOM 441 NZ LYS A 114 11.544 3.109 -11.786 1.00 0.00 N ATOM 0 H LYS A 114 6.739 2.998 -7.113 1.00 0.00 H new ATOM 0 HA LYS A 114 9.054 4.164 -5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.662 2.706 -8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 114 8.360 4.249 -8.903 1.00 0.00 H new ATOM 0 HG2 LYS A 114 10.689 4.843 -7.644 1.00 0.00 H new ATOM 0 HG3 LYS A 114 10.909 3.116 -7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.897 4.615 -10.230 1.00 0.00 H new ATOM 0 HD3 LYS A 114 11.553 4.937 -9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 114 12.053 2.502 -9.822 1.00 0.00 H new ATOM 0 HE3 LYS A 114 10.394 2.169 -10.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 11.840 2.203 -12.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 10.715 3.471 -12.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.323 3.794 -11.859 1.00 0.00 H new ATOM 455 N ARG A 115 6.842 6.186 -7.233 1.00 0.00 N ATOM 456 CA ARG A 115 6.475 7.588 -7.391 1.00 0.00 C ATOM 457 C ARG A 115 6.611 8.338 -6.069 1.00 0.00 C ATOM 458 O ARG A 115 7.310 9.347 -5.986 1.00 0.00 O ATOM 459 CB ARG A 115 5.041 7.705 -7.911 1.00 0.00 C ATOM 460 CG ARG A 115 4.576 9.141 -8.098 1.00 0.00 C ATOM 461 CD ARG A 115 3.282 9.409 -7.345 1.00 0.00 C ATOM 462 NE ARG A 115 2.106 9.181 -8.180 1.00 0.00 N ATOM 463 CZ ARG A 115 0.896 9.648 -7.891 1.00 0.00 C ATOM 464 NH1 ARG A 115 0.705 10.365 -6.791 1.00 0.00 N ATOM 465 NH2 ARG A 115 -0.125 9.398 -8.700 1.00 0.00 N ATOM 0 H ARG A 115 6.082 5.528 -7.409 1.00 0.00 H new ATOM 0 HA ARG A 115 7.155 8.037 -8.115 1.00 0.00 H new ATOM 0 HB2 ARG A 115 4.965 7.180 -8.863 1.00 0.00 H new ATOM 0 HB3 ARG A 115 4.369 7.202 -7.216 1.00 0.00 H new ATOM 0 HG2 ARG A 115 5.350 9.824 -7.748 1.00 0.00 H new ATOM 0 HG3 ARG A 115 4.429 9.342 -9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 115 3.234 8.765 -6.467 1.00 0.00 H new ATOM 0 HD3 ARG A 115 3.278 10.438 -6.986 1.00 0.00 H new ATOM 0 HE ARG A 115 2.220 8.633 -9.033 1.00 0.00 H new ATOM 0 HH11 ARG A 115 1.488 10.558 -6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -0.224 10.723 -6.570 1.00 0.00 H new ATOM 0 HH21 ARG A 115 0.018 8.846 -9.546 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.053 9.757 -8.476 1.00 0.00 H new ATOM 479 N ALA A 116 5.937 7.838 -5.039 1.00 0.00 N ATOM 480 CA ALA A 116 5.984 8.459 -3.721 1.00 0.00 C ATOM 481 C ALA A 116 7.422 8.607 -3.235 1.00 0.00 C ATOM 482 O ALA A 116 7.797 9.642 -2.685 1.00 0.00 O ATOM 483 CB ALA A 116 5.169 7.648 -2.725 1.00 0.00 C ATOM 0 H ALA A 116 5.352 7.004 -5.092 1.00 0.00 H new ATOM 0 HA ALA A 116 5.551 9.456 -3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.213 8.124 -1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.132 7.599 -3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.577 6.639 -2.657 1.00 0.00 H new ATOM 489 N GLU A 117 8.221 7.565 -3.440 1.00 0.00 N ATOM 490 CA GLU A 117 9.618 7.580 -3.020 1.00 0.00 C ATOM 491 C GLU A 117 10.382 8.705 -3.712 1.00 0.00 C ATOM 492 O GLU A 117 11.167 9.415 -3.083 1.00 0.00 O ATOM 493 CB GLU A 117 10.280 6.235 -3.327 1.00 0.00 C ATOM 494 CG GLU A 117 10.458 5.351 -2.104 1.00 0.00 C ATOM 495 CD GLU A 117 9.235 5.342 -1.208 1.00 0.00 C ATOM 496 OE1 GLU A 117 8.154 4.934 -1.683 1.00 0.00 O ATOM 497 OE2 GLU A 117 9.357 5.744 -0.033 1.00 0.00 O ATOM 0 H GLU A 117 7.926 6.701 -3.894 1.00 0.00 H new ATOM 0 HA GLU A 117 9.646 7.754 -1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 117 9.679 5.704 -4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 117 11.255 6.414 -3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 117 10.676 4.332 -2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 117 11.320 5.696 -1.533 1.00 0.00 H new ATOM 504 N LEU A 118 10.146 8.862 -5.010 1.00 0.00 N ATOM 505 CA LEU A 118 10.812 9.900 -5.789 1.00 0.00 C ATOM 506 C LEU A 118 10.655 11.264 -5.124 1.00 0.00 C ATOM 507 O LEU A 118 11.621 12.014 -4.988 1.00 0.00 O ATOM 508 CB LEU A 118 10.244 9.943 -7.208 1.00 0.00 C ATOM 509 CG LEU A 118 11.265 10.096 -8.335 1.00 0.00 C ATOM 510 CD1 LEU A 118 11.152 8.942 -9.319 1.00 0.00 C ATOM 511 CD2 LEU A 118 11.077 11.428 -9.049 1.00 0.00 C ATOM 0 H LEU A 118 9.498 8.284 -5.545 1.00 0.00 H new ATOM 0 HA LEU A 118 11.874 9.660 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 118 9.678 9.027 -7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 118 9.537 10.771 -7.270 1.00 0.00 H new ATOM 0 HG LEU A 118 12.264 10.078 -7.898 1.00 0.00 H new ATOM 0 HD11 LEU A 118 11.887 9.069 -10.114 1.00 0.00 H new ATOM 0 HD12 LEU A 118 11.337 8.002 -8.800 1.00 0.00 H new ATOM 0 HD13 LEU A 118 10.151 8.928 -9.749 1.00 0.00 H new ATOM 0 HD21 LEU A 118 11.813 11.519 -9.848 1.00 0.00 H new ATOM 0 HD22 LEU A 118 10.074 11.476 -9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 118 11.210 12.244 -8.338 1.00 0.00 H new ATOM 523 N ALA A 119 9.431 11.578 -4.710 1.00 0.00 N ATOM 524 CA ALA A 119 9.149 12.849 -4.056 1.00 0.00 C ATOM 525 C ALA A 119 9.652 12.849 -2.616 1.00 0.00 C ATOM 526 O ALA A 119 9.977 13.900 -2.062 1.00 0.00 O ATOM 527 CB ALA A 119 7.656 13.143 -4.095 1.00 0.00 C ATOM 0 H ALA A 119 8.620 10.969 -4.816 1.00 0.00 H new ATOM 0 HA ALA A 119 9.677 13.633 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.460 14.096 -3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.322 13.194 -5.131 1.00 0.00 H new ATOM 0 HB3 ALA A 119 7.115 12.350 -3.579 1.00 0.00 H new ATOM 533 N LEU A 120 9.714 11.666 -2.016 1.00 0.00 N ATOM 534 CA LEU A 120 10.177 11.530 -0.640 1.00 0.00 C ATOM 535 C LEU A 120 11.596 12.069 -0.488 1.00 0.00 C ATOM 536 O LEU A 120 11.890 12.820 0.443 1.00 0.00 O ATOM 537 CB LEU A 120 10.126 10.064 -0.207 1.00 0.00 C ATOM 538 CG LEU A 120 10.008 9.812 1.296 1.00 0.00 C ATOM 539 CD1 LEU A 120 8.741 9.031 1.609 1.00 0.00 C ATOM 540 CD2 LEU A 120 11.233 9.071 1.810 1.00 0.00 C ATOM 0 H LEU A 120 9.449 10.787 -2.461 1.00 0.00 H new ATOM 0 HA LEU A 120 9.516 12.114 0.000 1.00 0.00 H new ATOM 0 HB2 LEU A 120 9.279 9.589 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.026 9.568 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 120 9.951 10.775 1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 120 8.674 8.861 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 120 7.872 9.599 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 120 8.767 8.072 1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 120 11.132 8.900 2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 120 11.321 8.113 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 120 12.125 9.668 1.620 1.00 0.00 H new ATOM 552 N LYS A 121 12.472 11.681 -1.408 1.00 0.00 N ATOM 553 CA LYS A 121 13.860 12.127 -1.380 1.00 0.00 C ATOM 554 C LYS A 121 14.008 13.490 -2.050 1.00 0.00 C ATOM 555 O LYS A 121 14.302 13.576 -3.242 1.00 0.00 O ATOM 556 CB LYS A 121 14.760 11.104 -2.075 1.00 0.00 C ATOM 557 CG LYS A 121 14.859 9.780 -1.337 1.00 0.00 C ATOM 558 CD LYS A 121 15.930 9.821 -0.260 1.00 0.00 C ATOM 559 CE LYS A 121 15.322 9.734 1.132 1.00 0.00 C ATOM 560 NZ LYS A 121 16.323 9.308 2.149 1.00 0.00 N ATOM 0 H LYS A 121 12.245 11.058 -2.183 1.00 0.00 H new ATOM 0 HA LYS A 121 14.164 12.220 -0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 121 14.380 10.922 -3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 121 15.759 11.526 -2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 121 13.896 9.541 -0.885 1.00 0.00 H new ATOM 0 HG3 LYS A 121 15.085 8.983 -2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 121 16.627 8.996 -0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 121 16.504 10.743 -0.351 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.912 10.705 1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 121 14.491 9.028 1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 15.870 9.261 3.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 16.696 8.370 1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 17.103 9.995 2.177 1.00 0.00 H new