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 X(o=0,f=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.00017) 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 -19.033 -25.743 2.946 1.00 0.00 N ATOM 2 CA ILE A 88 -17.949 -26.654 3.291 1.00 0.00 C ATOM 3 C ILE A 88 -16.714 -25.888 3.755 1.00 0.00 C ATOM 4 O ILE A 88 -16.303 -24.913 3.125 1.00 0.00 O ATOM 5 CB ILE A 88 -17.565 -27.550 2.100 1.00 0.00 C ATOM 6 CG1 ILE A 88 -18.808 -28.233 1.526 1.00 0.00 C ATOM 7 CG2 ILE A 88 -16.535 -28.585 2.526 1.00 0.00 C ATOM 8 CD1 ILE A 88 -19.523 -29.121 2.521 1.00 0.00 C ATOM 0 HA ILE A 88 -18.312 -27.282 4.105 1.00 0.00 H new ATOM 0 HB ILE A 88 -17.124 -26.926 1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -19.500 -27.470 1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -18.518 -28.830 0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -16.274 -29.211 1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -15.641 -28.080 2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -16.951 -29.207 3.319 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -20.394 -29.572 2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -18.847 -29.906 2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -19.844 -28.525 3.375 1.00 0.00 H new ATOM 20 N ASP A 89 -16.126 -26.337 4.859 1.00 0.00 N ATOM 21 CA ASP A 89 -14.936 -25.696 5.406 1.00 0.00 C ATOM 22 C ASP A 89 -13.812 -25.669 4.376 1.00 0.00 C ATOM 23 O ASP A 89 -13.006 -24.738 4.344 1.00 0.00 O ATOM 24 CB ASP A 89 -14.472 -26.426 6.667 1.00 0.00 C ATOM 25 CG ASP A 89 -14.660 -25.594 7.920 1.00 0.00 C ATOM 26 OD1 ASP A 89 -15.804 -25.167 8.183 1.00 0.00 O ATOM 27 OD2 ASP A 89 -13.663 -25.368 8.639 1.00 0.00 O ATOM 0 H ASP A 89 -16.454 -27.142 5.392 1.00 0.00 H new ATOM 0 HA ASP A 89 -15.192 -24.669 5.664 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -15.026 -27.359 6.768 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -13.419 -26.690 6.564 1.00 0.00 H new ATOM 32 N VAL A 90 -13.761 -26.697 3.535 1.00 0.00 N ATOM 33 CA VAL A 90 -12.735 -26.792 2.503 1.00 0.00 C ATOM 34 C VAL A 90 -12.789 -25.592 1.564 1.00 0.00 C ATOM 35 O VAL A 90 -11.768 -24.961 1.287 1.00 0.00 O ATOM 36 CB VAL A 90 -12.886 -28.084 1.678 1.00 0.00 C ATOM 37 CG1 VAL A 90 -11.704 -28.258 0.737 1.00 0.00 C ATOM 38 CG2 VAL A 90 -13.029 -29.288 2.596 1.00 0.00 C ATOM 0 H VAL A 90 -14.419 -27.476 3.548 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.772 -26.807 3.014 1.00 0.00 H new ATOM 0 HB VAL A 90 -13.791 -28.006 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.828 -29.176 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -11.653 -27.408 0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.783 -28.315 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.135 -30.192 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.144 -29.372 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.911 -29.164 3.224 1.00 0.00 H new ATOM 48 N LEU A 91 -13.984 -25.283 1.075 1.00 0.00 N ATOM 49 CA LEU A 91 -14.172 -24.158 0.167 1.00 0.00 C ATOM 50 C LEU A 91 -13.864 -22.837 0.864 1.00 0.00 C ATOM 51 O LEU A 91 -13.172 -21.980 0.313 1.00 0.00 O ATOM 52 CB LEU A 91 -15.605 -24.143 -0.368 1.00 0.00 C ATOM 53 CG LEU A 91 -15.753 -24.097 -1.889 1.00 0.00 C ATOM 54 CD1 LEU A 91 -15.118 -22.834 -2.451 1.00 0.00 C ATOM 55 CD2 LEU A 91 -15.133 -25.334 -2.523 1.00 0.00 C ATOM 0 H LEU A 91 -14.838 -25.796 1.292 1.00 0.00 H new ATOM 0 HA LEU A 91 -13.480 -24.277 -0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -16.118 -25.031 0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -16.120 -23.280 0.053 1.00 0.00 H new ATOM 0 HG LEU A 91 -16.816 -24.082 -2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -15.234 -22.820 -3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -15.607 -21.959 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -14.058 -22.817 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -15.248 -25.284 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -14.073 -25.379 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -15.633 -26.226 -2.146 1.00 0.00 H new ATOM 67 N ARG A 92 -14.379 -22.681 2.078 1.00 0.00 N ATOM 68 CA ARG A 92 -14.158 -21.464 2.852 1.00 0.00 C ATOM 69 C ARG A 92 -12.666 -21.171 2.988 1.00 0.00 C ATOM 70 O ARG A 92 -12.244 -20.016 2.941 1.00 0.00 O ATOM 71 CB ARG A 92 -14.791 -21.594 4.238 1.00 0.00 C ATOM 72 CG ARG A 92 -15.363 -20.290 4.770 1.00 0.00 C ATOM 73 CD ARG A 92 -16.838 -20.147 4.427 1.00 0.00 C ATOM 74 NE ARG A 92 -17.196 -18.767 4.110 1.00 0.00 N ATOM 75 CZ ARG A 92 -18.448 -18.332 4.030 1.00 0.00 C ATOM 76 NH1 ARG A 92 -19.457 -19.165 4.242 1.00 0.00 N ATOM 77 NH2 ARG A 92 -18.693 -17.061 3.737 1.00 0.00 N ATOM 0 H ARG A 92 -14.952 -23.381 2.548 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.628 -20.635 2.322 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -15.585 -22.340 4.197 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.042 -21.964 4.937 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -15.234 -20.250 5.852 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -14.808 -19.450 4.351 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -17.076 -20.787 3.578 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -17.440 -20.494 5.267 1.00 0.00 H new ATOM 0 HE ARG A 92 -16.443 -18.101 3.941 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -19.273 -20.143 4.467 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -20.418 -18.828 4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -17.919 -16.417 3.573 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -19.655 -16.728 3.676 1.00 0.00 H new ATOM 91 N ALA A 93 -11.874 -22.224 3.158 1.00 0.00 N ATOM 92 CA ALA A 93 -10.431 -22.080 3.300 1.00 0.00 C ATOM 93 C ALA A 93 -9.791 -21.649 1.985 1.00 0.00 C ATOM 94 O ALA A 93 -8.821 -20.890 1.973 1.00 0.00 O ATOM 95 CB ALA A 93 -9.815 -23.383 3.787 1.00 0.00 C ATOM 0 H ALA A 93 -12.208 -23.187 3.201 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.240 -21.303 4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.737 -23.260 3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.242 -23.648 4.754 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.024 -24.175 3.068 1.00 0.00 H new ATOM 101 N LYS A 94 -10.338 -22.139 0.877 1.00 0.00 N ATOM 102 CA LYS A 94 -9.822 -21.804 -0.444 1.00 0.00 C ATOM 103 C LYS A 94 -10.173 -20.369 -0.819 1.00 0.00 C ATOM 104 O LYS A 94 -9.404 -19.688 -1.498 1.00 0.00 O ATOM 105 CB LYS A 94 -10.382 -22.769 -1.493 1.00 0.00 C ATOM 106 CG LYS A 94 -9.318 -23.379 -2.389 1.00 0.00 C ATOM 107 CD LYS A 94 -8.595 -24.522 -1.695 1.00 0.00 C ATOM 108 CE LYS A 94 -7.299 -24.876 -2.410 1.00 0.00 C ATOM 109 NZ LYS A 94 -6.104 -24.542 -1.587 1.00 0.00 N ATOM 0 H LYS A 94 -11.139 -22.770 0.869 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.736 -21.897 -0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.921 -23.570 -0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.106 -22.239 -2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.779 -23.743 -3.307 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.598 -22.612 -2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.379 -24.245 -0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.244 -25.397 -1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.293 -25.940 -2.645 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.249 -24.340 -3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.241 -24.798 -2.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.096 -23.522 -1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.139 -25.073 -0.693 1.00 0.00 H new ATOM 123 N ALA A 95 -11.340 -19.914 -0.373 1.00 0.00 N ATOM 124 CA ALA A 95 -11.791 -18.558 -0.659 1.00 0.00 C ATOM 125 C ALA A 95 -11.002 -17.534 0.151 1.00 0.00 C ATOM 126 O ALA A 95 -10.628 -16.480 -0.361 1.00 0.00 O ATOM 127 CB ALA A 95 -13.280 -18.426 -0.372 1.00 0.00 C ATOM 0 H ALA A 95 -11.990 -20.465 0.188 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.616 -18.359 -1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.604 -17.408 -0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.835 -19.125 -0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.469 -18.650 0.678 1.00 0.00 H new ATOM 133 N ALA A 96 -10.753 -17.853 1.416 1.00 0.00 N ATOM 134 CA ALA A 96 -10.007 -16.961 2.296 1.00 0.00 C ATOM 135 C ALA A 96 -8.598 -16.720 1.766 1.00 0.00 C ATOM 136 O ALA A 96 -8.023 -15.650 1.963 1.00 0.00 O ATOM 137 CB ALA A 96 -9.953 -17.533 3.704 1.00 0.00 C ATOM 0 H ALA A 96 -11.057 -18.722 1.855 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.525 -16.002 2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.393 -16.857 4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -10.966 -17.647 4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.461 -18.505 3.683 1.00 0.00 H new ATOM 143 N LYS A 97 -8.045 -17.723 1.091 1.00 0.00 N ATOM 144 CA LYS A 97 -6.702 -17.621 0.531 1.00 0.00 C ATOM 145 C LYS A 97 -6.667 -16.620 -0.618 1.00 0.00 C ATOM 146 O LYS A 97 -5.790 -15.759 -0.676 1.00 0.00 O ATOM 147 CB LYS A 97 -6.226 -18.991 0.044 1.00 0.00 C ATOM 148 CG LYS A 97 -5.315 -19.704 1.028 1.00 0.00 C ATOM 149 CD LYS A 97 -3.852 -19.390 0.763 1.00 0.00 C ATOM 150 CE LYS A 97 -3.397 -18.159 1.530 1.00 0.00 C ATOM 151 NZ LYS A 97 -1.950 -18.222 1.874 1.00 0.00 N ATOM 0 H LYS A 97 -8.507 -18.616 0.919 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.033 -17.269 1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.095 -19.619 -0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.699 -18.868 -0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.573 -19.407 2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.475 -20.780 0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.238 -20.245 1.048 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.701 -19.231 -0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.590 -17.268 0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.983 -18.063 2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.680 -17.364 2.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.770 -19.058 2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.388 -18.287 1.001 1.00 0.00 H new ATOM 165 N GLU A 98 -7.627 -16.738 -1.531 1.00 0.00 N ATOM 166 CA GLU A 98 -7.704 -15.842 -2.678 1.00 0.00 C ATOM 167 C GLU A 98 -7.698 -14.383 -2.230 1.00 0.00 C ATOM 168 O GLU A 98 -7.079 -13.530 -2.867 1.00 0.00 O ATOM 169 CB GLU A 98 -8.965 -16.131 -3.495 1.00 0.00 C ATOM 170 CG GLU A 98 -9.113 -15.246 -4.721 1.00 0.00 C ATOM 171 CD GLU A 98 -10.117 -15.792 -5.718 1.00 0.00 C ATOM 172 OE1 GLU A 98 -10.892 -16.697 -5.343 1.00 0.00 O ATOM 173 OE2 GLU A 98 -10.128 -15.314 -6.870 1.00 0.00 O ATOM 0 H GLU A 98 -8.361 -17.445 -1.498 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.828 -16.016 -3.302 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.952 -17.174 -3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.839 -16.002 -2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.422 -14.248 -4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.143 -15.141 -5.208 1.00 0.00 H new ATOM 180 N ARG A 99 -8.393 -14.105 -1.133 1.00 0.00 N ATOM 181 CA ARG A 99 -8.470 -12.750 -0.601 1.00 0.00 C ATOM 182 C ARG A 99 -7.227 -12.416 0.220 1.00 0.00 C ATOM 183 O ARG A 99 -6.835 -11.254 0.327 1.00 0.00 O ATOM 184 CB ARG A 99 -9.722 -12.588 0.263 1.00 0.00 C ATOM 185 CG ARG A 99 -10.026 -11.145 0.631 1.00 0.00 C ATOM 186 CD ARG A 99 -10.796 -10.439 -0.474 1.00 0.00 C ATOM 187 NE ARG A 99 -11.945 -9.701 0.045 1.00 0.00 N ATOM 188 CZ ARG A 99 -11.842 -8.570 0.734 1.00 0.00 C ATOM 189 NH1 ARG A 99 -10.649 -8.049 0.986 1.00 0.00 N ATOM 190 NH2 ARG A 99 -12.934 -7.957 1.173 1.00 0.00 N ATOM 0 H ARG A 99 -8.911 -14.800 -0.595 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.525 -12.060 -1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.577 -13.006 -0.269 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.600 -13.169 1.177 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.605 -11.118 1.554 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.094 -10.613 0.824 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.131 -9.753 -0.998 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.136 -11.173 -1.205 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.878 -10.075 -0.131 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.807 -8.517 0.650 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.573 -7.180 1.515 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.854 -8.354 0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.854 -7.089 1.702 1.00 0.00 H new ATOM 204 N ALA A 100 -6.612 -13.443 0.796 1.00 0.00 N ATOM 205 CA ALA A 100 -5.413 -13.260 1.605 1.00 0.00 C ATOM 206 C ALA A 100 -4.299 -12.605 0.795 1.00 0.00 C ATOM 207 O ALA A 100 -3.488 -11.853 1.334 1.00 0.00 O ATOM 208 CB ALA A 100 -4.945 -14.594 2.166 1.00 0.00 C ATOM 0 H ALA A 100 -6.924 -14.411 0.718 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.662 -12.598 2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.049 -14.441 2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.731 -15.023 2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.719 -15.275 1.345 1.00 0.00 H new ATOM 214 N GLU A 101 -4.267 -12.896 -0.502 1.00 0.00 N ATOM 215 CA GLU A 101 -3.251 -12.336 -1.385 1.00 0.00 C ATOM 216 C GLU A 101 -3.605 -10.907 -1.785 1.00 0.00 C ATOM 217 O GLU A 101 -2.748 -10.023 -1.798 1.00 0.00 O ATOM 218 CB GLU A 101 -3.095 -13.204 -2.636 1.00 0.00 C ATOM 219 CG GLU A 101 -1.864 -12.867 -3.461 1.00 0.00 C ATOM 220 CD GLU A 101 -1.841 -13.589 -4.793 1.00 0.00 C ATOM 221 OE1 GLU A 101 -2.904 -13.662 -5.446 1.00 0.00 O ATOM 222 OE2 GLU A 101 -0.762 -14.079 -5.184 1.00 0.00 O ATOM 0 H GLU A 101 -4.933 -13.516 -0.964 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.305 -12.319 -0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.047 -14.251 -2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.982 -13.091 -3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.830 -11.791 -3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -0.969 -13.127 -2.895 1.00 0.00 H new ATOM 229 N ARG A 102 -4.875 -10.688 -2.111 1.00 0.00 N ATOM 230 CA ARG A 102 -5.344 -9.367 -2.513 1.00 0.00 C ATOM 231 C ARG A 102 -5.188 -8.365 -1.374 1.00 0.00 C ATOM 232 O ARG A 102 -4.982 -7.173 -1.606 1.00 0.00 O ATOM 233 CB ARG A 102 -6.808 -9.434 -2.951 1.00 0.00 C ATOM 234 CG ARG A 102 -7.154 -8.467 -4.072 1.00 0.00 C ATOM 235 CD ARG A 102 -8.657 -8.269 -4.193 1.00 0.00 C ATOM 236 NE ARG A 102 -9.194 -7.471 -3.094 1.00 0.00 N ATOM 237 CZ ARG A 102 -10.468 -7.106 -3.006 1.00 0.00 C ATOM 238 NH1 ARG A 102 -11.331 -7.466 -3.946 1.00 0.00 N ATOM 239 NH2 ARG A 102 -10.881 -6.380 -1.975 1.00 0.00 N ATOM 0 H ARG A 102 -5.597 -11.408 -2.105 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.735 -9.033 -3.353 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.035 -10.449 -3.276 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.445 -9.224 -2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -6.673 -7.506 -3.887 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -6.759 -8.845 -5.015 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.883 -7.780 -5.140 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -9.150 -9.241 -4.210 1.00 0.00 H new ATOM 0 HE ARG A 102 -8.556 -7.178 -2.354 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -11.017 -8.025 -4.739 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.309 -7.184 -3.876 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -10.220 -6.102 -1.250 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.859 -6.100 -1.908 1.00 0.00 H new ATOM 253 N ARG A 103 -5.288 -8.855 -0.143 1.00 0.00 N ATOM 254 CA ARG A 103 -5.160 -8.002 1.033 1.00 0.00 C ATOM 255 C ARG A 103 -3.696 -7.666 1.304 1.00 0.00 C ATOM 256 O ARG A 103 -3.380 -6.600 1.833 1.00 0.00 O ATOM 257 CB ARG A 103 -5.772 -8.687 2.256 1.00 0.00 C ATOM 258 CG ARG A 103 -6.223 -7.717 3.335 1.00 0.00 C ATOM 259 CD ARG A 103 -5.201 -7.616 4.456 1.00 0.00 C ATOM 260 NE ARG A 103 -4.761 -6.241 4.673 1.00 0.00 N ATOM 261 CZ ARG A 103 -5.530 -5.298 5.206 1.00 0.00 C ATOM 262 NH1 ARG A 103 -6.771 -5.582 5.576 1.00 0.00 N ATOM 263 NH2 ARG A 103 -5.058 -4.069 5.373 1.00 0.00 N ATOM 0 H ARG A 103 -5.457 -9.839 0.066 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.698 -7.074 0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -6.626 -9.285 1.938 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -5.041 -9.375 2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.382 -6.732 2.897 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -7.180 -8.043 3.742 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.633 -8.008 5.377 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.339 -8.239 4.218 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.811 -5.991 4.400 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.137 -6.526 5.452 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.360 -4.857 5.985 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -4.103 -3.847 5.092 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -5.650 -3.346 5.782 1.00 0.00 H new ATOM 277 N LEU A 104 -2.807 -8.583 0.937 1.00 0.00 N ATOM 278 CA LEU A 104 -1.376 -8.385 1.141 1.00 0.00 C ATOM 279 C LEU A 104 -0.841 -7.291 0.223 1.00 0.00 C ATOM 280 O LEU A 104 -0.035 -6.458 0.639 1.00 0.00 O ATOM 281 CB LEU A 104 -0.620 -9.691 0.891 1.00 0.00 C ATOM 282 CG LEU A 104 0.793 -9.771 1.471 1.00 0.00 C ATOM 283 CD1 LEU A 104 0.744 -10.121 2.950 1.00 0.00 C ATOM 284 CD2 LEU A 104 1.627 -10.789 0.707 1.00 0.00 C ATOM 0 H LEU A 104 -3.052 -9.470 0.497 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.221 -8.074 2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.207 -10.512 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.559 -9.852 -0.185 1.00 0.00 H new ATOM 0 HG LEU A 104 1.264 -8.794 1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.758 -10.173 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.185 -9.355 3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.254 -11.086 3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.629 -10.832 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.159 -11.771 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.691 -10.494 -0.340 1.00 0.00 H new ATOM 296 N GLN A 105 -1.298 -7.297 -1.025 1.00 0.00 N ATOM 297 CA GLN A 105 -0.866 -6.303 -2.001 1.00 0.00 C ATOM 298 C GLN A 105 -1.717 -5.041 -1.906 1.00 0.00 C ATOM 299 O GLN A 105 -2.296 -4.595 -2.896 1.00 0.00 O ATOM 300 CB GLN A 105 -0.944 -6.880 -3.416 1.00 0.00 C ATOM 301 CG GLN A 105 0.094 -7.955 -3.692 1.00 0.00 C ATOM 302 CD GLN A 105 0.439 -8.068 -5.164 1.00 0.00 C ATOM 303 OE1 GLN A 105 1.606 -7.991 -5.547 1.00 0.00 O ATOM 304 NE2 GLN A 105 -0.578 -8.251 -5.998 1.00 0.00 N ATOM 0 H GLN A 105 -1.967 -7.978 -1.384 1.00 0.00 H new ATOM 0 HA GLN A 105 0.168 -6.039 -1.780 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.938 -7.297 -3.575 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -0.818 -6.072 -4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.999 -7.735 -3.126 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -0.279 -8.915 -3.335 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.530 -8.309 -5.636 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.407 -8.334 -7.000 1.00 0.00 H new ATOM 313 N SER A 106 -1.788 -4.471 -0.708 1.00 0.00 N ATOM 314 CA SER A 106 -2.573 -3.262 -0.481 1.00 0.00 C ATOM 315 C SER A 106 -1.826 -2.029 -0.981 1.00 0.00 C ATOM 316 O SER A 106 -2.431 -1.095 -1.506 1.00 0.00 O ATOM 317 CB SER A 106 -2.896 -3.108 1.005 1.00 0.00 C ATOM 318 OG SER A 106 -3.220 -1.766 1.321 1.00 0.00 O ATOM 0 H SER A 106 -1.312 -4.826 0.121 1.00 0.00 H new ATOM 0 HA SER A 106 -3.505 -3.354 -1.039 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.730 -3.758 1.268 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.042 -3.429 1.601 1.00 0.00 H new ATOM 0 HG SER A 106 -3.424 -1.695 2.277 1.00 0.00 H new ATOM 324 N GLN A 107 -0.507 -2.035 -0.815 1.00 0.00 N ATOM 325 CA GLN A 107 0.323 -0.917 -1.247 1.00 0.00 C ATOM 326 C GLN A 107 0.123 -0.635 -2.732 1.00 0.00 C ATOM 327 O GLN A 107 0.152 0.517 -3.164 1.00 0.00 O ATOM 328 CB GLN A 107 1.797 -1.210 -0.965 1.00 0.00 C ATOM 329 CG GLN A 107 2.211 -0.923 0.469 1.00 0.00 C ATOM 330 CD GLN A 107 1.943 -2.091 1.398 1.00 0.00 C ATOM 331 OE1 GLN A 107 0.830 -2.260 1.896 1.00 0.00 O ATOM 332 NE2 GLN A 107 2.966 -2.904 1.637 1.00 0.00 N ATOM 0 H GLN A 107 0.010 -2.802 -0.384 1.00 0.00 H new ATOM 0 HA GLN A 107 0.022 -0.034 -0.684 1.00 0.00 H new ATOM 0 HB2 GLN A 107 2.000 -2.257 -1.190 1.00 0.00 H new ATOM 0 HB3 GLN A 107 2.413 -0.614 -1.638 1.00 0.00 H new ATOM 0 HG2 GLN A 107 3.273 -0.679 0.495 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.674 -0.046 0.830 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.871 -2.726 1.202 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.846 -3.707 2.255 1.00 0.00 H new ATOM 341 N GLN A 108 -0.077 -1.695 -3.510 1.00 0.00 N ATOM 342 CA GLN A 108 -0.280 -1.559 -4.947 1.00 0.00 C ATOM 343 C GLN A 108 -1.442 -0.618 -5.247 1.00 0.00 C ATOM 344 O GLN A 108 -1.371 0.198 -6.166 1.00 0.00 O ATOM 345 CB GLN A 108 -0.542 -2.928 -5.577 1.00 0.00 C ATOM 346 CG GLN A 108 -0.589 -2.900 -7.096 1.00 0.00 C ATOM 347 CD GLN A 108 -0.921 -4.252 -7.695 1.00 0.00 C ATOM 348 OE1 GLN A 108 -0.277 -5.255 -7.388 1.00 0.00 O ATOM 349 NE2 GLN A 108 -1.931 -4.287 -8.557 1.00 0.00 N ATOM 0 H GLN A 108 -0.103 -2.656 -3.169 1.00 0.00 H new ATOM 0 HA GLN A 108 0.627 -1.135 -5.378 1.00 0.00 H new ATOM 0 HB2 GLN A 108 0.237 -3.620 -5.259 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -1.488 -3.317 -5.200 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -1.332 -2.171 -7.419 1.00 0.00 H new ATOM 0 HG3 GLN A 108 0.374 -2.564 -7.479 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -2.438 -3.431 -8.783 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -2.199 -5.169 -8.993 1.00 0.00 H new ATOM 358 N ASP A 109 -2.511 -0.739 -4.468 1.00 0.00 N ATOM 359 CA ASP A 109 -3.689 0.102 -4.649 1.00 0.00 C ATOM 360 C ASP A 109 -3.680 1.268 -3.666 1.00 0.00 C ATOM 361 O ASP A 109 -4.716 1.628 -3.106 1.00 0.00 O ATOM 362 CB ASP A 109 -4.963 -0.724 -4.469 1.00 0.00 C ATOM 363 CG ASP A 109 -5.099 -1.815 -5.512 1.00 0.00 C ATOM 364 OD1 ASP A 109 -5.056 -1.493 -6.718 1.00 0.00 O ATOM 365 OD2 ASP A 109 -5.246 -2.993 -5.124 1.00 0.00 O ATOM 0 H ASP A 109 -2.586 -1.411 -3.705 1.00 0.00 H new ATOM 0 HA ASP A 109 -3.666 0.504 -5.662 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.964 -1.173 -3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -5.830 -0.065 -4.522 1.00 0.00 H new ATOM 382 N ILE A 111 -2.512 4.435 -4.480 1.00 0.00 N ATOM 383 CA ILE A 111 -2.900 5.628 -5.221 1.00 0.00 C ATOM 384 C ILE A 111 -4.087 5.346 -6.136 1.00 0.00 C ATOM 385 O ILE A 111 -4.141 5.829 -7.267 1.00 0.00 O ATOM 386 CB ILE A 111 -1.732 6.170 -6.067 1.00 0.00 C ATOM 387 CG1 ILE A 111 -1.157 5.062 -6.951 1.00 0.00 C ATOM 388 CG2 ILE A 111 -0.653 6.753 -5.168 1.00 0.00 C ATOM 389 CD1 ILE A 111 -0.575 5.568 -8.251 1.00 0.00 C ATOM 0 HA ILE A 111 -3.183 6.379 -4.483 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.107 6.964 -6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -0.382 4.532 -6.397 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.943 4.339 -7.171 1.00 0.00 H new ATOM 0 HG21 ILE A 111 0.165 7.132 -5.780 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -1.072 7.568 -4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -0.278 5.978 -4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.186 4.728 -8.827 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -1.352 6.073 -8.825 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.233 6.268 -8.040 1.00 0.00 H new ATOM 401 N ASP A 112 -5.037 4.562 -5.637 1.00 0.00 N ATOM 402 CA ASP A 112 -6.226 4.217 -6.407 1.00 0.00 C ATOM 403 C ASP A 112 -7.330 5.247 -6.194 1.00 0.00 C ATOM 404 O ASP A 112 -7.953 5.713 -7.148 1.00 0.00 O ATOM 405 CB ASP A 112 -6.727 2.826 -6.017 1.00 0.00 C ATOM 406 CG ASP A 112 -7.762 2.290 -6.987 1.00 0.00 C ATOM 407 OD1 ASP A 112 -7.364 1.743 -8.037 1.00 0.00 O ATOM 408 OD2 ASP A 112 -8.969 2.416 -6.696 1.00 0.00 O ATOM 0 H ASP A 112 -5.006 4.154 -4.703 1.00 0.00 H new ATOM 0 HA ASP A 112 -5.956 4.214 -7.463 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -5.883 2.138 -5.974 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -7.157 2.865 -5.016 1.00 0.00 H new ATOM 413 N PHE A 113 -7.569 5.598 -4.934 1.00 0.00 N ATOM 414 CA PHE A 113 -8.600 6.572 -4.594 1.00 0.00 C ATOM 415 C PHE A 113 -8.049 7.993 -4.662 1.00 0.00 C ATOM 416 O PHE A 113 -8.781 8.943 -4.939 1.00 0.00 O ATOM 417 CB PHE A 113 -9.152 6.294 -3.194 1.00 0.00 C ATOM 418 CG PHE A 113 -10.192 5.211 -3.164 1.00 0.00 C ATOM 419 CD1 PHE A 113 -9.820 3.878 -3.084 1.00 0.00 C ATOM 420 CD2 PHE A 113 -11.540 5.524 -3.218 1.00 0.00 C ATOM 421 CE1 PHE A 113 -10.776 2.879 -3.058 1.00 0.00 C ATOM 422 CE2 PHE A 113 -12.500 4.530 -3.191 1.00 0.00 C ATOM 423 CZ PHE A 113 -12.117 3.205 -3.110 1.00 0.00 C ATOM 0 H PHE A 113 -7.063 5.222 -4.132 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.407 6.478 -5.321 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.329 6.014 -2.536 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -9.583 7.212 -2.793 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.773 3.617 -3.042 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -11.845 6.558 -3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -10.474 1.844 -2.997 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -13.548 4.789 -3.233 1.00 0.00 H new ATOM 0 HZ PHE A 113 -12.865 2.426 -3.087 1.00 0.00 H new ATOM 433 N LYS A 114 -6.752 8.132 -4.406 1.00 0.00 N ATOM 434 CA LYS A 114 -6.100 9.436 -4.439 1.00 0.00 C ATOM 435 C LYS A 114 -6.116 10.017 -5.849 1.00 0.00 C ATOM 436 O LYS A 114 -6.465 11.181 -6.047 1.00 0.00 O ATOM 437 CB LYS A 114 -4.658 9.321 -3.939 1.00 0.00 C ATOM 438 CG LYS A 114 -4.095 10.625 -3.402 1.00 0.00 C ATOM 439 CD LYS A 114 -4.353 10.771 -1.911 1.00 0.00 C ATOM 440 CE LYS A 114 -5.673 11.478 -1.641 1.00 0.00 C ATOM 441 NZ LYS A 114 -5.474 12.769 -0.926 1.00 0.00 N ATOM 0 H LYS A 114 -6.131 7.357 -4.173 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.653 10.108 -3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.613 8.565 -3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.026 8.971 -4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.023 10.665 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.545 11.463 -3.934 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.364 9.786 -1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.538 11.332 -1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.187 11.661 -2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.318 10.830 -1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.396 13.220 -0.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.007 12.592 -0.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.880 13.398 -1.503 1.00 0.00 H new ATOM 455 N ARG A 115 -5.736 9.199 -6.825 1.00 0.00 N ATOM 456 CA ARG A 115 -5.707 9.633 -8.217 1.00 0.00 C ATOM 457 C ARG A 115 -7.121 9.851 -8.748 1.00 0.00 C ATOM 458 O ARG A 115 -7.333 10.639 -9.670 1.00 0.00 O ATOM 459 CB ARG A 115 -4.981 8.599 -9.080 1.00 0.00 C ATOM 460 CG ARG A 115 -4.735 9.062 -10.506 1.00 0.00 C ATOM 461 CD ARG A 115 -3.411 9.798 -10.633 1.00 0.00 C ATOM 462 NE ARG A 115 -2.517 9.155 -11.591 1.00 0.00 N ATOM 463 CZ ARG A 115 -1.269 9.554 -11.815 1.00 0.00 C ATOM 464 NH1 ARG A 115 -0.771 10.588 -11.152 1.00 0.00 N ATOM 465 NH2 ARG A 115 -0.517 8.917 -12.704 1.00 0.00 N ATOM 0 H ARG A 115 -5.444 8.233 -6.678 1.00 0.00 H new ATOM 0 HA ARG A 115 -5.169 10.580 -8.265 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -4.025 8.357 -8.615 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -5.567 7.680 -9.101 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -4.739 8.201 -11.175 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -5.548 9.716 -10.823 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -3.596 10.826 -10.944 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -2.926 9.842 -9.658 1.00 0.00 H new ATOM 0 HE ARG A 115 -2.869 8.356 -12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -1.346 11.080 -10.468 1.00 0.00 H new ATOM 0 HH12 ARG A 115 0.187 10.892 -11.326 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -0.897 8.121 -13.216 1.00 0.00 H new ATOM 0 HH22 ARG A 115 0.441 9.224 -12.875 1.00 0.00 H new ATOM 479 N ALA A 116 -8.083 9.148 -8.161 1.00 0.00 N ATOM 480 CA ALA A 116 -9.476 9.266 -8.574 1.00 0.00 C ATOM 481 C ALA A 116 -9.987 10.690 -8.382 1.00 0.00 C ATOM 482 O ALA A 116 -10.693 11.226 -9.235 1.00 0.00 O ATOM 483 CB ALA A 116 -10.342 8.283 -7.799 1.00 0.00 C ATOM 0 H ALA A 116 -7.924 8.490 -7.398 1.00 0.00 H new ATOM 0 HA ALA A 116 -9.536 9.027 -9.636 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -11.380 8.382 -8.118 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.999 7.266 -7.991 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -10.268 8.495 -6.732 1.00 0.00 H new ATOM 489 N GLU A 117 -9.626 11.296 -7.255 1.00 0.00 N ATOM 490 CA GLU A 117 -10.050 12.658 -6.951 1.00 0.00 C ATOM 491 C GLU A 117 -9.255 13.671 -7.770 1.00 0.00 C ATOM 492 O GLU A 117 -9.768 14.728 -8.140 1.00 0.00 O ATOM 493 CB GLU A 117 -9.881 12.947 -5.458 1.00 0.00 C ATOM 494 CG GLU A 117 -10.481 14.274 -5.024 1.00 0.00 C ATOM 495 CD GLU A 117 -11.644 14.103 -4.066 1.00 0.00 C ATOM 496 OE1 GLU A 117 -12.347 13.075 -4.166 1.00 0.00 O ATOM 497 OE2 GLU A 117 -11.852 14.995 -3.219 1.00 0.00 O ATOM 0 H GLU A 117 -9.042 10.866 -6.538 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.104 12.751 -7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.345 12.143 -4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -8.819 12.940 -5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.709 14.879 -4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.818 14.821 -5.904 1.00 0.00 H new ATOM 504 N LEU A 118 -7.998 13.341 -8.049 1.00 0.00 N ATOM 505 CA LEU A 118 -7.130 14.221 -8.824 1.00 0.00 C ATOM 506 C LEU A 118 -7.715 14.482 -10.208 1.00 0.00 C ATOM 507 O LEU A 118 -7.546 15.564 -10.770 1.00 0.00 O ATOM 508 CB LEU A 118 -5.735 13.608 -8.954 1.00 0.00 C ATOM 509 CG LEU A 118 -4.643 14.231 -8.084 1.00 0.00 C ATOM 510 CD1 LEU A 118 -3.407 13.346 -8.064 1.00 0.00 C ATOM 511 CD2 LEU A 118 -4.295 15.626 -8.583 1.00 0.00 C ATOM 0 H LEU A 118 -7.558 12.471 -7.750 1.00 0.00 H new ATOM 0 HA LEU A 118 -7.054 15.172 -8.297 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -5.803 12.547 -8.713 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -5.425 13.679 -9.997 1.00 0.00 H new ATOM 0 HG LEU A 118 -5.021 14.315 -7.065 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -2.641 13.806 -7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -3.666 12.368 -7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -3.027 13.229 -9.079 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.516 16.054 -7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -3.937 15.566 -9.611 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -5.182 16.258 -8.544 1.00 0.00 H new ATOM 523 N ALA A 119 -8.406 13.485 -10.751 1.00 0.00 N ATOM 524 CA ALA A 119 -9.020 13.609 -12.067 1.00 0.00 C ATOM 525 C ALA A 119 -10.014 14.764 -12.103 1.00 0.00 C ATOM 526 O ALA A 119 -10.157 15.442 -13.121 1.00 0.00 O ATOM 527 CB ALA A 119 -9.706 12.307 -12.454 1.00 0.00 C ATOM 0 H ALA A 119 -8.555 12.582 -10.300 1.00 0.00 H new ATOM 0 HA ALA A 119 -8.232 13.821 -12.790 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.160 12.414 -13.439 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.971 11.502 -12.479 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -10.478 12.071 -11.722 1.00 0.00 H new ATOM 533 N LEU A 120 -10.701 14.982 -10.986 1.00 0.00 N ATOM 534 CA LEU A 120 -11.683 16.056 -10.890 1.00 0.00 C ATOM 535 C LEU A 120 -10.999 17.419 -10.854 1.00 0.00 C ATOM 536 O LEU A 120 -11.203 18.251 -11.737 1.00 0.00 O ATOM 537 CB LEU A 120 -12.547 15.873 -9.640 1.00 0.00 C ATOM 538 CG LEU A 120 -14.052 16.060 -9.832 1.00 0.00 C ATOM 539 CD1 LEU A 120 -14.356 17.463 -10.334 1.00 0.00 C ATOM 540 CD2 LEU A 120 -14.601 15.016 -10.793 1.00 0.00 C ATOM 0 H LEU A 120 -10.596 14.429 -10.135 1.00 0.00 H new ATOM 0 HA LEU A 120 -12.319 16.013 -11.774 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -12.373 14.872 -9.246 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -12.207 16.578 -8.881 1.00 0.00 H new ATOM 0 HG LEU A 120 -14.541 15.928 -8.867 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -15.432 17.577 -10.465 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -13.999 18.194 -9.609 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -13.855 17.624 -11.289 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -15.674 15.165 -10.918 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -14.106 15.115 -11.759 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -14.417 14.019 -10.392 1.00 0.00 H new ATOM 552 N LYS A 121 -10.185 17.639 -9.828 1.00 0.00 N ATOM 553 CA LYS A 121 -9.467 18.899 -9.677 1.00 0.00 C ATOM 554 C LYS A 121 -8.411 19.057 -10.767 1.00 0.00 C ATOM 555 O LYS A 121 -7.530 18.211 -10.918 1.00 0.00 O ATOM 556 CB LYS A 121 -8.806 18.972 -8.298 1.00 0.00 C ATOM 557 CG LYS A 121 -9.121 20.250 -7.540 1.00 0.00 C ATOM 558 CD LYS A 121 -9.131 20.020 -6.039 1.00 0.00 C ATOM 559 CE LYS A 121 -10.524 19.666 -5.538 1.00 0.00 C ATOM 560 NZ LYS A 121 -11.174 20.815 -4.850 1.00 0.00 N ATOM 0 H LYS A 121 -10.006 16.961 -9.088 1.00 0.00 H new ATOM 0 HA LYS A 121 -10.187 19.712 -9.771 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -9.130 18.118 -7.703 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -7.726 18.887 -8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -8.382 21.012 -7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -10.091 20.632 -7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -8.438 19.217 -5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -8.777 20.917 -5.530 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -11.142 19.349 -6.378 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -10.460 18.821 -4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -12.121 20.534 -4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -10.597 21.102 -4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -11.259 21.613 -5.512 1.00 0.00 H new