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 Set 1.1: A 105 GLN : amide:sc= 0.104 K(o=0.2,f=-1.4) USER MOD Set 1.2: A 108 GLN : amide:sc= 0.1 K(o=0.2,f=-1.3) 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 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.165 K(o=-0.17,f=-1.1!) 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 -18.678 -28.287 0.808 1.00 0.00 N ATOM 2 CA ILE A 88 -17.330 -28.651 1.226 1.00 0.00 C ATOM 3 C ILE A 88 -16.724 -27.577 2.124 1.00 0.00 C ATOM 4 O ILE A 88 -16.636 -26.410 1.740 1.00 0.00 O ATOM 5 CB ILE A 88 -16.405 -28.874 0.015 1.00 0.00 C ATOM 6 CG1 ILE A 88 -17.063 -29.823 -0.988 1.00 0.00 C ATOM 7 CG2 ILE A 88 -15.060 -29.422 0.468 1.00 0.00 C ATOM 8 CD1 ILE A 88 -17.494 -29.144 -2.270 1.00 0.00 C ATOM 0 HA ILE A 88 -17.414 -29.583 1.784 1.00 0.00 H new ATOM 0 HB ILE A 88 -16.237 -27.916 -0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -16.365 -30.625 -1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -17.933 -30.286 -0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -14.418 -29.574 -0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.589 -28.713 1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -15.208 -30.372 0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -17.952 -29.877 -2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -18.216 -28.360 -2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -16.625 -28.705 -2.759 1.00 0.00 H new ATOM 20 N ASP A 89 -16.304 -27.979 3.318 1.00 0.00 N ATOM 21 CA ASP A 89 -15.703 -27.052 4.270 1.00 0.00 C ATOM 22 C ASP A 89 -14.399 -26.481 3.721 1.00 0.00 C ATOM 23 O ASP A 89 -14.038 -25.340 4.010 1.00 0.00 O ATOM 24 CB ASP A 89 -15.446 -27.753 5.605 1.00 0.00 C ATOM 25 CG ASP A 89 -16.121 -27.052 6.766 1.00 0.00 C ATOM 26 OD1 ASP A 89 -15.633 -25.977 7.174 1.00 0.00 O ATOM 27 OD2 ASP A 89 -17.136 -27.578 7.269 1.00 0.00 O ATOM 0 H ASP A 89 -16.369 -28.941 3.650 1.00 0.00 H new ATOM 0 HA ASP A 89 -16.401 -26.230 4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -15.804 -28.781 5.547 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -14.372 -27.799 5.787 1.00 0.00 H new ATOM 32 N VAL A 90 -13.694 -27.283 2.929 1.00 0.00 N ATOM 33 CA VAL A 90 -12.430 -26.857 2.341 1.00 0.00 C ATOM 34 C VAL A 90 -12.631 -25.670 1.406 1.00 0.00 C ATOM 35 O VAL A 90 -11.801 -24.761 1.351 1.00 0.00 O ATOM 36 CB VAL A 90 -11.761 -28.004 1.559 1.00 0.00 C ATOM 37 CG1 VAL A 90 -10.383 -27.583 1.069 1.00 0.00 C ATOM 38 CG2 VAL A 90 -11.670 -29.254 2.421 1.00 0.00 C ATOM 0 H VAL A 90 -13.977 -28.231 2.680 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.781 -26.561 3.165 1.00 0.00 H new ATOM 0 HB VAL A 90 -12.376 -28.234 0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.926 -28.405 0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.479 -26.717 0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.757 -27.325 1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.195 -30.054 1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.078 -29.040 3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.672 -29.565 2.718 1.00 0.00 H new ATOM 48 N LEU A 91 -13.738 -25.682 0.672 1.00 0.00 N ATOM 49 CA LEU A 91 -14.050 -24.605 -0.261 1.00 0.00 C ATOM 50 C LEU A 91 -14.041 -23.253 0.445 1.00 0.00 C ATOM 51 O LEU A 91 -13.580 -22.255 -0.110 1.00 0.00 O ATOM 52 CB LEU A 91 -15.413 -24.846 -0.911 1.00 0.00 C ATOM 53 CG LEU A 91 -15.408 -25.055 -2.426 1.00 0.00 C ATOM 54 CD1 LEU A 91 -14.963 -23.788 -3.139 1.00 0.00 C ATOM 55 CD2 LEU A 91 -14.507 -26.223 -2.799 1.00 0.00 C ATOM 0 H LEU A 91 -14.435 -26.426 0.705 1.00 0.00 H new ATOM 0 HA LEU A 91 -13.283 -24.594 -1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -15.865 -25.722 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -16.057 -23.996 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 91 -16.424 -25.288 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.966 -23.956 -4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -15.647 -22.975 -2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -13.956 -23.523 -2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -14.515 -26.358 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -13.489 -26.018 -2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -14.870 -27.131 -2.318 1.00 0.00 H new ATOM 67 N ARG A 92 -14.552 -23.229 1.672 1.00 0.00 N ATOM 68 CA ARG A 92 -14.602 -22.000 2.455 1.00 0.00 C ATOM 69 C ARG A 92 -13.196 -21.491 2.757 1.00 0.00 C ATOM 70 O ARG A 92 -12.880 -20.327 2.511 1.00 0.00 O ATOM 71 CB ARG A 92 -15.364 -22.233 3.761 1.00 0.00 C ATOM 72 CG ARG A 92 -16.018 -20.979 4.315 1.00 0.00 C ATOM 73 CD ARG A 92 -15.636 -20.748 5.769 1.00 0.00 C ATOM 74 NE ARG A 92 -16.602 -19.897 6.460 1.00 0.00 N ATOM 75 CZ ARG A 92 -16.617 -19.722 7.777 1.00 0.00 C ATOM 76 NH1 ARG A 92 -15.724 -20.335 8.541 1.00 0.00 N ATOM 77 NH2 ARG A 92 -17.527 -18.932 8.332 1.00 0.00 N ATOM 0 H ARG A 92 -14.937 -24.047 2.145 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.125 -21.245 1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -16.131 -22.989 3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.677 -22.634 4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -15.720 -20.117 3.718 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -17.101 -21.065 4.231 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -15.566 -21.707 6.282 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -14.649 -20.288 5.816 1.00 0.00 H new ATOM 0 HE ARG A 92 -17.303 -19.411 5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.023 -20.943 8.118 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.738 -20.199 9.552 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -18.216 -18.458 7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -17.538 -18.798 9.343 1.00 0.00 H new ATOM 91 N ALA A 93 -12.356 -22.370 3.293 1.00 0.00 N ATOM 92 CA ALA A 93 -10.983 -22.010 3.627 1.00 0.00 C ATOM 93 C ALA A 93 -10.216 -21.560 2.389 1.00 0.00 C ATOM 94 O ALA A 93 -9.294 -20.749 2.477 1.00 0.00 O ATOM 95 CB ALA A 93 -10.277 -23.183 4.291 1.00 0.00 C ATOM 0 H ALA A 93 -12.602 -23.337 3.505 1.00 0.00 H new ATOM 0 HA ALA A 93 -11.013 -21.174 4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.253 -22.900 4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.806 -23.456 5.204 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.266 -24.034 3.610 1.00 0.00 H new ATOM 101 N LYS A 94 -10.602 -22.092 1.234 1.00 0.00 N ATOM 102 CA LYS A 94 -9.951 -21.745 -0.024 1.00 0.00 C ATOM 103 C LYS A 94 -10.224 -20.291 -0.395 1.00 0.00 C ATOM 104 O LYS A 94 -9.359 -19.606 -0.938 1.00 0.00 O ATOM 105 CB LYS A 94 -10.436 -22.668 -1.144 1.00 0.00 C ATOM 106 CG LYS A 94 -9.316 -23.191 -2.028 1.00 0.00 C ATOM 107 CD LYS A 94 -8.789 -22.111 -2.958 1.00 0.00 C ATOM 108 CE LYS A 94 -8.238 -22.703 -4.245 1.00 0.00 C ATOM 109 NZ LYS A 94 -8.187 -21.697 -5.341 1.00 0.00 N ATOM 0 H LYS A 94 -11.363 -22.765 1.143 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.876 -21.873 0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.965 -23.513 -0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.154 -22.129 -1.762 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.503 -23.564 -1.405 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.679 -24.034 -2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.589 -21.409 -3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.007 -21.545 -2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.237 -23.095 -4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.859 -23.544 -4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.806 -22.140 -6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.146 -21.341 -5.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.574 -20.906 -5.058 1.00 0.00 H new ATOM 123 N ALA A 95 -11.433 -19.827 -0.097 1.00 0.00 N ATOM 124 CA ALA A 95 -11.819 -18.453 -0.397 1.00 0.00 C ATOM 125 C ALA A 95 -11.049 -17.465 0.472 1.00 0.00 C ATOM 126 O ALA A 95 -10.704 -16.370 0.027 1.00 0.00 O ATOM 127 CB ALA A 95 -13.318 -18.272 -0.203 1.00 0.00 C ATOM 0 H ALA A 95 -12.162 -20.382 0.352 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.571 -18.251 -1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.593 -17.242 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.855 -18.946 -0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.581 -18.498 0.830 1.00 0.00 H new ATOM 133 N ALA A 96 -10.783 -17.857 1.714 1.00 0.00 N ATOM 134 CA ALA A 96 -10.052 -17.006 2.644 1.00 0.00 C ATOM 135 C ALA A 96 -8.624 -16.768 2.165 1.00 0.00 C ATOM 136 O ALA A 96 -8.026 -15.731 2.455 1.00 0.00 O ATOM 137 CB ALA A 96 -10.048 -17.625 4.034 1.00 0.00 C ATOM 0 H ALA A 96 -11.063 -18.759 2.099 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.558 -16.041 2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.498 -16.979 4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.074 -17.737 4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.569 -18.603 3.995 1.00 0.00 H new ATOM 143 N LYS A 97 -8.083 -17.733 1.430 1.00 0.00 N ATOM 144 CA LYS A 97 -6.725 -17.629 0.909 1.00 0.00 C ATOM 145 C LYS A 97 -6.660 -16.631 -0.242 1.00 0.00 C ATOM 146 O LYS A 97 -5.648 -15.957 -0.434 1.00 0.00 O ATOM 147 CB LYS A 97 -6.230 -18.999 0.439 1.00 0.00 C ATOM 148 CG LYS A 97 -4.802 -18.986 -0.074 1.00 0.00 C ATOM 149 CD LYS A 97 -3.803 -19.214 1.048 1.00 0.00 C ATOM 150 CE LYS A 97 -2.499 -19.796 0.525 1.00 0.00 C ATOM 151 NZ LYS A 97 -1.681 -20.393 1.616 1.00 0.00 N ATOM 0 H LYS A 97 -8.565 -18.597 1.181 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.080 -17.273 1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.304 -19.706 1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.888 -19.362 -0.351 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.680 -19.759 -0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.597 -18.030 -0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.603 -18.270 1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.233 -19.889 1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.716 -20.557 -0.224 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.926 -19.014 0.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.801 -20.779 1.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.452 -19.661 2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.218 -21.157 2.074 1.00 0.00 H new ATOM 165 N GLU A 98 -7.745 -16.542 -1.005 1.00 0.00 N ATOM 166 CA GLU A 98 -7.809 -15.625 -2.137 1.00 0.00 C ATOM 167 C GLU A 98 -7.717 -14.175 -1.669 1.00 0.00 C ATOM 168 O GLU A 98 -7.097 -13.338 -2.326 1.00 0.00 O ATOM 169 CB GLU A 98 -9.105 -15.837 -2.922 1.00 0.00 C ATOM 170 CG GLU A 98 -8.938 -15.693 -4.425 1.00 0.00 C ATOM 171 CD GLU A 98 -10.208 -15.229 -5.111 1.00 0.00 C ATOM 172 OE1 GLU A 98 -11.166 -16.027 -5.187 1.00 0.00 O ATOM 173 OE2 GLU A 98 -10.244 -14.069 -5.573 1.00 0.00 O ATOM 0 H GLU A 98 -8.591 -17.093 -0.860 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.960 -15.834 -2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.494 -16.831 -2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.850 -15.120 -2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.138 -14.983 -4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.631 -16.650 -4.846 1.00 0.00 H new ATOM 180 N ARG A 99 -8.338 -13.887 -0.531 1.00 0.00 N ATOM 181 CA ARG A 99 -8.328 -12.539 0.025 1.00 0.00 C ATOM 182 C ARG A 99 -6.915 -12.128 0.430 1.00 0.00 C ATOM 183 O ARG A 99 -6.548 -10.957 0.336 1.00 0.00 O ATOM 184 CB ARG A 99 -9.261 -12.456 1.235 1.00 0.00 C ATOM 185 CG ARG A 99 -10.483 -11.582 1.002 1.00 0.00 C ATOM 186 CD ARG A 99 -11.691 -12.410 0.593 1.00 0.00 C ATOM 187 NE ARG A 99 -11.928 -12.357 -0.847 1.00 0.00 N ATOM 188 CZ ARG A 99 -12.987 -12.899 -1.438 1.00 0.00 C ATOM 189 NH1 ARG A 99 -13.901 -13.533 -0.716 1.00 0.00 N ATOM 190 NH2 ARG A 99 -13.134 -12.808 -2.753 1.00 0.00 N ATOM 0 H ARG A 99 -8.855 -14.569 0.025 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.681 -11.853 -0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.589 -13.461 1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.704 -12.067 2.087 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.713 -11.026 1.911 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.264 -10.848 0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.541 -13.446 0.898 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -12.574 -12.048 1.119 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.243 -11.878 -1.431 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.792 -13.605 0.296 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.713 -13.948 -1.172 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.433 -12.321 -3.312 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.948 -13.225 -3.205 1.00 0.00 H new ATOM 204 N ALA A 100 -6.129 -13.099 0.881 1.00 0.00 N ATOM 205 CA ALA A 100 -4.757 -12.839 1.299 1.00 0.00 C ATOM 206 C ALA A 100 -3.914 -12.333 0.132 1.00 0.00 C ATOM 207 O ALA A 100 -3.012 -11.517 0.315 1.00 0.00 O ATOM 208 CB ALA A 100 -4.138 -14.096 1.893 1.00 0.00 C ATOM 0 H ALA A 100 -6.419 -14.073 0.966 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.778 -12.062 2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.113 -13.887 2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.719 -14.414 2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.137 -14.889 1.146 1.00 0.00 H new ATOM 214 N GLU A 101 -4.216 -12.823 -1.066 1.00 0.00 N ATOM 215 CA GLU A 101 -3.484 -12.421 -2.262 1.00 0.00 C ATOM 216 C GLU A 101 -3.591 -10.915 -2.484 1.00 0.00 C ATOM 217 O GLU A 101 -2.617 -10.181 -2.313 1.00 0.00 O ATOM 218 CB GLU A 101 -4.015 -13.167 -3.487 1.00 0.00 C ATOM 219 CG GLU A 101 -3.043 -14.194 -4.043 1.00 0.00 C ATOM 220 CD GLU A 101 -3.631 -14.992 -5.190 1.00 0.00 C ATOM 221 OE1 GLU A 101 -4.793 -14.729 -5.563 1.00 0.00 O ATOM 222 OE2 GLU A 101 -2.928 -15.880 -5.716 1.00 0.00 O ATOM 0 H GLU A 101 -4.962 -13.498 -1.234 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.434 -12.676 -2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -4.946 -13.667 -3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.252 -12.444 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.140 -13.687 -4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.745 -14.876 -3.246 1.00 0.00 H new ATOM 229 N ARG A 102 -4.781 -10.462 -2.865 1.00 0.00 N ATOM 230 CA ARG A 102 -5.015 -9.045 -3.112 1.00 0.00 C ATOM 231 C ARG A 102 -4.581 -8.205 -1.915 1.00 0.00 C ATOM 232 O ARG A 102 -4.189 -7.048 -2.065 1.00 0.00 O ATOM 233 CB ARG A 102 -6.494 -8.796 -3.414 1.00 0.00 C ATOM 234 CG ARG A 102 -7.434 -9.364 -2.364 1.00 0.00 C ATOM 235 CD ARG A 102 -8.864 -8.893 -2.582 1.00 0.00 C ATOM 236 NE ARG A 102 -9.392 -8.189 -1.417 1.00 0.00 N ATOM 237 CZ ARG A 102 -10.672 -7.865 -1.272 1.00 0.00 C ATOM 238 NH1 ARG A 102 -11.550 -8.180 -2.214 1.00 0.00 N ATOM 239 NH2 ARG A 102 -11.076 -7.224 -0.183 1.00 0.00 N ATOM 0 H ARG A 102 -5.598 -11.056 -3.009 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.420 -8.749 -3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.663 -7.723 -3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.737 -9.234 -4.382 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.400 -10.453 -2.395 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.098 -9.062 -1.372 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.901 -8.235 -3.450 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -9.498 -9.751 -2.805 1.00 0.00 H new ATOM 0 HE ARG A 102 -8.742 -7.932 -0.674 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -11.243 -8.672 -3.053 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.532 -7.930 -2.100 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -10.403 -6.980 0.544 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.059 -6.976 -0.073 1.00 0.00 H new ATOM 253 N ARG A 103 -4.655 -8.795 -0.726 1.00 0.00 N ATOM 254 CA ARG A 103 -4.271 -8.101 0.497 1.00 0.00 C ATOM 255 C ARG A 103 -2.790 -7.736 0.473 1.00 0.00 C ATOM 256 O ARG A 103 -2.414 -6.601 0.771 1.00 0.00 O ATOM 257 CB ARG A 103 -4.573 -8.971 1.718 1.00 0.00 C ATOM 258 CG ARG A 103 -5.976 -8.780 2.270 1.00 0.00 C ATOM 259 CD ARG A 103 -6.107 -7.463 3.018 1.00 0.00 C ATOM 260 NE ARG A 103 -5.449 -7.505 4.321 1.00 0.00 N ATOM 261 CZ ARG A 103 -5.944 -8.148 5.373 1.00 0.00 C ATOM 262 NH1 ARG A 103 -7.095 -8.799 5.275 1.00 0.00 N ATOM 263 NH2 ARG A 103 -5.287 -8.141 6.526 1.00 0.00 N ATOM 0 H ARG A 103 -4.977 -9.752 -0.584 1.00 0.00 H new ATOM 0 HA ARG A 103 -4.853 -7.182 0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.437 -10.019 1.450 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.850 -8.746 2.502 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.696 -8.808 1.453 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.220 -9.605 2.939 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.674 -6.662 2.419 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -7.162 -7.226 3.152 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.561 -7.014 4.429 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.603 -8.807 4.390 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.473 -9.292 6.084 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -4.401 -7.642 6.605 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -5.668 -8.635 7.333 1.00 0.00 H new ATOM 277 N LEU A 104 -1.953 -8.704 0.117 1.00 0.00 N ATOM 278 CA LEU A 104 -0.512 -8.485 0.055 1.00 0.00 C ATOM 279 C LEU A 104 -0.180 -7.290 -0.834 1.00 0.00 C ATOM 280 O LEU A 104 0.561 -6.394 -0.432 1.00 0.00 O ATOM 281 CB LEU A 104 0.192 -9.737 -0.471 1.00 0.00 C ATOM 282 CG LEU A 104 1.637 -9.937 -0.014 1.00 0.00 C ATOM 283 CD1 LEU A 104 1.733 -11.100 0.961 1.00 0.00 C ATOM 284 CD2 LEU A 104 2.549 -10.167 -1.211 1.00 0.00 C ATOM 0 H LEU A 104 -2.247 -9.648 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.158 -8.273 1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.387 -10.609 -0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.178 -9.707 -1.560 1.00 0.00 H new ATOM 0 HG LEU A 104 1.963 -9.032 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.769 -11.227 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.112 -10.896 1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.387 -12.012 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.573 -10.307 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.223 -11.056 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.504 -9.303 -1.874 1.00 0.00 H new ATOM 296 N GLN A 105 -0.737 -7.284 -2.041 1.00 0.00 N ATOM 297 CA GLN A 105 -0.502 -6.199 -2.985 1.00 0.00 C ATOM 298 C GLN A 105 -1.522 -5.081 -2.795 1.00 0.00 C ATOM 299 O GLN A 105 -2.174 -4.653 -3.748 1.00 0.00 O ATOM 300 CB GLN A 105 -0.562 -6.721 -4.421 1.00 0.00 C ATOM 301 CG GLN A 105 0.650 -7.548 -4.819 1.00 0.00 C ATOM 302 CD GLN A 105 0.833 -7.630 -6.321 1.00 0.00 C ATOM 303 OE1 GLN A 105 1.155 -6.636 -6.974 1.00 0.00 O ATOM 304 NE2 GLN A 105 0.628 -8.817 -6.879 1.00 0.00 N ATOM 0 H GLN A 105 -1.354 -8.019 -2.388 1.00 0.00 H new ATOM 0 HA GLN A 105 0.492 -5.795 -2.794 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.460 -7.327 -4.541 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -0.654 -5.875 -5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.544 -7.114 -4.371 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.547 -8.555 -4.414 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.362 -9.614 -6.300 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.736 -8.932 -7.887 1.00 0.00 H new ATOM 313 N SER A 106 -1.656 -4.612 -1.558 1.00 0.00 N ATOM 314 CA SER A 106 -2.601 -3.547 -1.242 1.00 0.00 C ATOM 315 C SER A 106 -1.971 -2.177 -1.472 1.00 0.00 C ATOM 316 O SER A 106 -2.667 -1.202 -1.754 1.00 0.00 O ATOM 317 CB SER A 106 -3.071 -3.668 0.208 1.00 0.00 C ATOM 318 OG SER A 106 -4.313 -4.346 0.287 1.00 0.00 O ATOM 0 H SER A 106 -1.122 -4.953 -0.759 1.00 0.00 H new ATOM 0 HA SER A 106 -3.461 -3.648 -1.905 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.323 -4.204 0.792 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.167 -2.675 0.647 1.00 0.00 H new ATOM 0 HG SER A 106 -4.591 -4.412 1.225 1.00 0.00 H new ATOM 324 N GLN A 107 -0.649 -2.112 -1.349 1.00 0.00 N ATOM 325 CA GLN A 107 0.075 -0.861 -1.543 1.00 0.00 C ATOM 326 C GLN A 107 -0.149 -0.315 -2.949 1.00 0.00 C ATOM 327 O GLN A 107 -0.369 0.882 -3.131 1.00 0.00 O ATOM 328 CB GLN A 107 1.570 -1.070 -1.296 1.00 0.00 C ATOM 329 CG GLN A 107 2.166 -0.087 -0.301 1.00 0.00 C ATOM 330 CD GLN A 107 3.443 0.554 -0.807 1.00 0.00 C ATOM 331 OE1 GLN A 107 3.602 0.787 -2.006 1.00 0.00 O ATOM 332 NE2 GLN A 107 4.362 0.844 0.106 1.00 0.00 N ATOM 0 H GLN A 107 -0.058 -2.910 -1.116 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.307 -0.134 -0.826 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.731 -2.085 -0.932 1.00 0.00 H new ATOM 0 HB3 GLN A 107 2.102 -0.983 -2.243 1.00 0.00 H new ATOM 0 HG2 GLN A 107 1.435 0.692 -0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 107 2.370 -0.604 0.637 1.00 0.00 H new ATOM 0 HE21 GLN A 107 4.189 0.634 1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 107 5.242 1.277 -0.175 1.00 0.00 H new ATOM 341 N GLN A 108 -0.091 -1.200 -3.939 1.00 0.00 N ATOM 342 CA GLN A 108 -0.286 -0.805 -5.329 1.00 0.00 C ATOM 343 C GLN A 108 -1.765 -0.590 -5.631 1.00 0.00 C ATOM 344 O GLN A 108 -2.122 0.208 -6.498 1.00 0.00 O ATOM 345 CB GLN A 108 0.290 -1.866 -6.269 1.00 0.00 C ATOM 346 CG GLN A 108 -0.268 -3.259 -6.027 1.00 0.00 C ATOM 347 CD GLN A 108 -1.142 -3.743 -7.168 1.00 0.00 C ATOM 348 OE1 GLN A 108 -2.325 -3.409 -7.244 1.00 0.00 O ATOM 349 NE2 GLN A 108 -0.563 -4.535 -8.063 1.00 0.00 N ATOM 0 H GLN A 108 0.089 -2.195 -3.804 1.00 0.00 H new ATOM 0 HA GLN A 108 0.240 0.136 -5.490 1.00 0.00 H new ATOM 0 HB2 GLN A 108 0.086 -1.576 -7.300 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.374 -1.892 -6.154 1.00 0.00 H new ATOM 0 HG2 GLN A 108 0.557 -3.957 -5.885 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.848 -3.259 -5.104 1.00 0.00 H new ATOM 0 HE21 GLN A 108 0.420 -4.786 -7.961 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -1.102 -4.892 -8.852 1.00 0.00 H new ATOM 358 N ASP A 109 -2.621 -1.307 -4.911 1.00 0.00 N ATOM 359 CA ASP A 109 -4.063 -1.195 -5.101 1.00 0.00 C ATOM 360 C ASP A 109 -4.550 0.207 -4.746 1.00 0.00 C ATOM 361 O ASP A 109 -5.482 0.725 -5.361 1.00 0.00 O ATOM 362 CB ASP A 109 -4.794 -2.234 -4.249 1.00 0.00 C ATOM 363 CG ASP A 109 -6.213 -2.475 -4.724 1.00 0.00 C ATOM 364 OD1 ASP A 109 -7.111 -1.705 -4.324 1.00 0.00 O ATOM 365 OD2 ASP A 109 -6.427 -3.436 -5.493 1.00 0.00 O ATOM 0 H ASP A 109 -2.341 -1.972 -4.190 1.00 0.00 H new ATOM 0 HA ASP A 109 -4.282 -1.381 -6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.241 -3.173 -4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.813 -1.901 -3.211 1.00 0.00 H new ATOM 382 N ILE A 111 -3.328 2.907 -5.411 1.00 0.00 N ATOM 383 CA ILE A 111 -3.191 3.771 -6.576 1.00 0.00 C ATOM 384 C ILE A 111 -3.708 3.083 -7.835 1.00 0.00 C ATOM 385 O ILE A 111 -2.986 2.948 -8.823 1.00 0.00 O ATOM 386 CB ILE A 111 -1.725 4.188 -6.799 1.00 0.00 C ATOM 387 CG1 ILE A 111 -1.090 4.628 -5.478 1.00 0.00 C ATOM 388 CG2 ILE A 111 -1.641 5.303 -7.831 1.00 0.00 C ATOM 389 CD1 ILE A 111 -0.225 3.564 -4.839 1.00 0.00 C ATOM 0 HA ILE A 111 -3.788 4.661 -6.380 1.00 0.00 H new ATOM 0 HB ILE A 111 -1.172 3.328 -7.177 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -0.486 5.518 -5.653 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.879 4.910 -4.781 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -0.599 5.586 -7.977 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.059 4.956 -8.776 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.206 6.167 -7.480 1.00 0.00 H new ATOM 0 HD11 ILE A 111 0.192 3.945 -3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.829 2.680 -4.632 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.586 3.298 -5.517 1.00 0.00 H new ATOM 401 N ASP A 112 -4.964 2.651 -7.792 1.00 0.00 N ATOM 402 CA ASP A 112 -5.580 1.978 -8.930 1.00 0.00 C ATOM 403 C ASP A 112 -6.397 2.961 -9.764 1.00 0.00 C ATOM 404 O ASP A 112 -6.575 2.772 -10.967 1.00 0.00 O ATOM 405 CB ASP A 112 -6.473 0.833 -8.450 1.00 0.00 C ATOM 406 CG ASP A 112 -7.771 1.326 -7.842 1.00 0.00 C ATOM 407 OD1 ASP A 112 -8.656 1.762 -8.607 1.00 0.00 O ATOM 408 OD2 ASP A 112 -7.902 1.275 -6.600 1.00 0.00 O ATOM 0 H ASP A 112 -5.575 2.755 -6.982 1.00 0.00 H new ATOM 0 HA ASP A 112 -4.785 1.571 -9.555 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -6.696 0.174 -9.289 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.932 0.239 -7.713 1.00 0.00 H new ATOM 413 N PHE A 113 -6.893 4.010 -9.116 1.00 0.00 N ATOM 414 CA PHE A 113 -7.693 5.021 -9.797 1.00 0.00 C ATOM 415 C PHE A 113 -6.953 5.573 -11.012 1.00 0.00 C ATOM 416 O PHE A 113 -7.565 5.922 -12.021 1.00 0.00 O ATOM 417 CB PHE A 113 -8.039 6.160 -8.836 1.00 0.00 C ATOM 418 CG PHE A 113 -9.395 6.758 -9.080 1.00 0.00 C ATOM 419 CD1 PHE A 113 -10.545 6.067 -8.731 1.00 0.00 C ATOM 420 CD2 PHE A 113 -9.521 8.012 -9.657 1.00 0.00 C ATOM 421 CE1 PHE A 113 -11.793 6.615 -8.955 1.00 0.00 C ATOM 422 CE2 PHE A 113 -10.768 8.565 -9.882 1.00 0.00 C ATOM 423 CZ PHE A 113 -11.905 7.866 -9.530 1.00 0.00 C ATOM 0 H PHE A 113 -6.755 4.182 -8.120 1.00 0.00 H new ATOM 0 HA PHE A 113 -8.615 4.550 -10.138 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -7.994 5.788 -7.813 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -7.285 6.942 -8.925 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -10.464 5.089 -8.279 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.635 8.564 -9.934 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -12.681 6.065 -8.681 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -10.852 9.543 -10.333 1.00 0.00 H new ATOM 0 HZ PHE A 113 -12.880 8.296 -9.704 1.00 0.00 H new ATOM 433 N LYS A 114 -5.630 5.649 -10.907 1.00 0.00 N ATOM 434 CA LYS A 114 -4.803 6.157 -11.996 1.00 0.00 C ATOM 435 C LYS A 114 -5.042 5.363 -13.276 1.00 0.00 C ATOM 436 O LYS A 114 -4.955 5.904 -14.379 1.00 0.00 O ATOM 437 CB LYS A 114 -3.323 6.093 -11.612 1.00 0.00 C ATOM 438 CG LYS A 114 -2.812 4.680 -11.394 1.00 0.00 C ATOM 439 CD LYS A 114 -2.004 4.189 -12.583 1.00 0.00 C ATOM 440 CE LYS A 114 -0.655 4.887 -12.667 1.00 0.00 C ATOM 441 NZ LYS A 114 0.295 4.154 -13.550 1.00 0.00 N ATOM 0 H LYS A 114 -5.107 5.365 -10.078 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.081 7.196 -12.176 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -2.732 6.567 -12.396 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -3.167 6.671 -10.701 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.195 4.650 -10.496 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.655 4.010 -11.224 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -1.853 3.112 -12.502 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.563 4.365 -13.502 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.793 5.900 -13.044 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.228 4.974 -11.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.202 4.661 -13.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.447 3.195 -13.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.100 4.093 -14.510 1.00 0.00 H new ATOM 455 N ARG A 115 -5.345 4.078 -13.123 1.00 0.00 N ATOM 456 CA ARG A 115 -5.597 3.211 -14.267 1.00 0.00 C ATOM 457 C ARG A 115 -6.728 3.763 -15.129 1.00 0.00 C ATOM 458 O ARG A 115 -6.724 3.607 -16.350 1.00 0.00 O ATOM 459 CB ARG A 115 -5.944 1.797 -13.796 1.00 0.00 C ATOM 460 CG ARG A 115 -5.431 0.704 -14.720 1.00 0.00 C ATOM 461 CD ARG A 115 -6.575 -0.043 -15.387 1.00 0.00 C ATOM 462 NE ARG A 115 -6.144 -1.325 -15.937 1.00 0.00 N ATOM 463 CZ ARG A 115 -6.911 -2.089 -16.707 1.00 0.00 C ATOM 464 NH1 ARG A 115 -8.140 -1.702 -17.018 1.00 0.00 N ATOM 465 NH2 ARG A 115 -6.448 -3.243 -17.169 1.00 0.00 N ATOM 0 H ARG A 115 -5.422 3.615 -12.218 1.00 0.00 H new ATOM 0 HA ARG A 115 -4.689 3.174 -14.869 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -5.529 1.643 -12.800 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -7.027 1.708 -13.708 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -4.788 1.143 -15.483 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -4.819 0.003 -14.152 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -7.371 -0.209 -14.662 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -6.993 0.571 -16.184 1.00 0.00 H new ATOM 0 HE ARG A 115 -5.203 -1.652 -15.718 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -8.500 -0.815 -16.666 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -8.726 -2.291 -17.609 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -5.503 -3.544 -16.933 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.037 -3.829 -17.760 1.00 0.00 H new ATOM 479 N ALA A 116 -7.695 4.409 -14.486 1.00 0.00 N ATOM 480 CA ALA A 116 -8.831 4.985 -15.194 1.00 0.00 C ATOM 481 C ALA A 116 -8.424 6.243 -15.954 1.00 0.00 C ATOM 482 O ALA A 116 -9.026 6.587 -16.970 1.00 0.00 O ATOM 483 CB ALA A 116 -9.957 5.297 -14.220 1.00 0.00 C ATOM 0 H ALA A 116 -7.714 4.547 -13.475 1.00 0.00 H new ATOM 0 HA ALA A 116 -9.185 4.252 -15.919 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.799 5.727 -14.763 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -10.275 4.379 -13.725 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -9.605 6.009 -13.473 1.00 0.00 H new ATOM 489 N GLU A 117 -7.398 6.925 -15.454 1.00 0.00 N ATOM 490 CA GLU A 117 -6.912 8.146 -16.086 1.00 0.00 C ATOM 491 C GLU A 117 -6.106 7.824 -17.342 1.00 0.00 C ATOM 492 O GLU A 117 -6.041 8.628 -18.274 1.00 0.00 O ATOM 493 CB GLU A 117 -6.052 8.947 -15.107 1.00 0.00 C ATOM 494 CG GLU A 117 -6.299 10.445 -15.164 1.00 0.00 C ATOM 495 CD GLU A 117 -5.957 11.143 -13.862 1.00 0.00 C ATOM 496 OE1 GLU A 117 -4.764 11.445 -13.647 1.00 0.00 O ATOM 497 OE2 GLU A 117 -6.881 11.387 -13.059 1.00 0.00 O ATOM 0 H GLU A 117 -6.888 6.653 -14.614 1.00 0.00 H new ATOM 0 HA GLU A 117 -7.776 8.745 -16.372 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -6.245 8.594 -14.094 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -5.000 8.753 -15.317 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -5.706 10.877 -15.970 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -7.346 10.628 -15.406 1.00 0.00 H new ATOM 504 N LEU A 118 -5.494 6.646 -17.359 1.00 0.00 N ATOM 505 CA LEU A 118 -4.692 6.217 -18.500 1.00 0.00 C ATOM 506 C LEU A 118 -5.504 6.276 -19.789 1.00 0.00 C ATOM 507 O LEU A 118 -4.957 6.501 -20.869 1.00 0.00 O ATOM 508 CB LEU A 118 -4.171 4.797 -18.276 1.00 0.00 C ATOM 509 CG LEU A 118 -2.654 4.651 -18.147 1.00 0.00 C ATOM 510 CD1 LEU A 118 -2.143 5.431 -16.946 1.00 0.00 C ATOM 511 CD2 LEU A 118 -2.267 3.184 -18.036 1.00 0.00 C ATOM 0 H LEU A 118 -5.537 5.970 -16.596 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.846 6.897 -18.595 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -4.632 4.401 -17.371 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.507 4.173 -19.104 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.191 5.061 -19.045 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -1.062 5.315 -16.870 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.387 6.486 -17.067 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -2.613 5.051 -16.039 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.184 3.099 -17.945 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -2.740 2.748 -17.156 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -2.599 2.652 -18.927 1.00 0.00 H new ATOM 523 N ALA A 119 -6.812 6.074 -19.669 1.00 0.00 N ATOM 524 CA ALA A 119 -7.700 6.109 -20.824 1.00 0.00 C ATOM 525 C ALA A 119 -7.937 7.541 -21.292 1.00 0.00 C ATOM 526 O ALA A 119 -7.761 7.857 -22.470 1.00 0.00 O ATOM 527 CB ALA A 119 -9.022 5.433 -20.494 1.00 0.00 C ATOM 0 H ALA A 119 -7.280 5.884 -18.783 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.220 5.565 -21.637 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.675 5.467 -21.366 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.840 4.395 -20.216 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.499 5.953 -19.663 1.00 0.00 H new ATOM 533 N LEU A 120 -8.338 8.402 -20.364 1.00 0.00 N ATOM 534 CA LEU A 120 -8.600 9.802 -20.681 1.00 0.00 C ATOM 535 C LEU A 120 -7.406 10.433 -21.389 1.00 0.00 C ATOM 536 O LEU A 120 -7.557 11.087 -22.421 1.00 0.00 O ATOM 537 CB LEU A 120 -8.922 10.582 -19.406 1.00 0.00 C ATOM 538 CG LEU A 120 -10.147 11.496 -19.469 1.00 0.00 C ATOM 539 CD1 LEU A 120 -9.992 12.521 -20.582 1.00 0.00 C ATOM 540 CD2 LEU A 120 -11.414 10.677 -19.668 1.00 0.00 C ATOM 0 H LEU A 120 -8.489 8.156 -19.386 1.00 0.00 H new ATOM 0 HA LEU A 120 -9.459 9.843 -21.351 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.067 9.869 -18.595 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -8.054 11.188 -19.146 1.00 0.00 H new ATOM 0 HG LEU A 120 -10.228 12.029 -18.522 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -10.873 13.162 -20.611 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -9.107 13.129 -20.396 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.885 12.007 -21.537 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -12.275 11.344 -19.710 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -11.342 10.117 -20.600 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -11.533 9.983 -18.836 1.00 0.00 H new ATOM 552 N LYS A 121 -6.218 10.230 -20.830 1.00 0.00 N ATOM 553 CA LYS A 121 -4.996 10.775 -21.409 1.00 0.00 C ATOM 554 C LYS A 121 -4.337 9.763 -22.341 1.00 0.00 C ATOM 555 O LYS A 121 -3.815 8.742 -21.893 1.00 0.00 O ATOM 556 CB LYS A 121 -4.019 11.178 -20.303 1.00 0.00 C ATOM 557 CG LYS A 121 -4.553 12.265 -19.385 1.00 0.00 C ATOM 558 CD LYS A 121 -4.570 13.618 -20.076 1.00 0.00 C ATOM 559 CE LYS A 121 -5.837 14.394 -19.750 1.00 0.00 C ATOM 560 NZ LYS A 121 -5.560 15.840 -19.527 1.00 0.00 N ATOM 0 H LYS A 121 -6.075 9.691 -19.976 1.00 0.00 H new ATOM 0 HA LYS A 121 -5.261 11.658 -21.990 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -3.775 10.298 -19.707 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -3.090 11.522 -20.758 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -5.562 12.007 -19.062 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -3.936 12.321 -18.488 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -3.699 14.196 -19.768 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -4.495 13.478 -21.154 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -6.551 14.283 -20.566 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -6.302 13.972 -18.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -6.449 16.334 -19.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -4.898 15.948 -18.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -5.139 16.249 -20.386 1.00 0.00 H new