USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=2 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+ 150:sc= -0.148 (180deg=-0.715) 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=-0.43) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.0498 K(o=-0.05,f=-1.2) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) 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 -19.554 -27.006 1.378 1.00 0.00 N ATOM 2 CA ILE A 88 -18.512 -26.083 0.944 1.00 0.00 C ATOM 3 C ILE A 88 -17.580 -25.725 2.096 1.00 0.00 C ATOM 4 O ILE A 88 -17.207 -24.564 2.268 1.00 0.00 O ATOM 5 CB ILE A 88 -19.114 -24.790 0.363 1.00 0.00 C ATOM 6 CG1 ILE A 88 -20.004 -24.104 1.401 1.00 0.00 C ATOM 7 CG2 ILE A 88 -19.903 -25.094 -0.902 1.00 0.00 C ATOM 8 CD1 ILE A 88 -19.830 -22.602 1.449 1.00 0.00 C ATOM 0 HA ILE A 88 -17.943 -26.591 0.166 1.00 0.00 H new ATOM 0 HB ILE A 88 -18.300 -24.112 0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -21.047 -24.334 1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -19.786 -24.518 2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -20.322 -24.170 -1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -19.242 -25.542 -1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -20.711 -25.788 -0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -20.492 -22.183 2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -18.796 -22.363 1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -20.077 -22.176 0.476 1.00 0.00 H new ATOM 20 N ASP A 89 -17.205 -26.729 2.880 1.00 0.00 N ATOM 21 CA ASP A 89 -16.313 -26.521 4.015 1.00 0.00 C ATOM 22 C ASP A 89 -14.898 -26.202 3.542 1.00 0.00 C ATOM 23 O ASP A 89 -14.287 -25.232 3.989 1.00 0.00 O ATOM 24 CB ASP A 89 -16.297 -27.759 4.913 1.00 0.00 C ATOM 25 CG ASP A 89 -16.079 -27.413 6.372 1.00 0.00 C ATOM 26 OD1 ASP A 89 -15.449 -26.371 6.646 1.00 0.00 O ATOM 27 OD2 ASP A 89 -16.539 -28.185 7.240 1.00 0.00 O ATOM 0 H ASP A 89 -17.505 -27.695 2.751 1.00 0.00 H new ATOM 0 HA ASP A 89 -16.686 -25.672 4.588 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -17.241 -28.294 4.807 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -15.509 -28.435 4.581 1.00 0.00 H new ATOM 32 N VAL A 90 -14.382 -27.026 2.636 1.00 0.00 N ATOM 33 CA VAL A 90 -13.040 -26.833 2.102 1.00 0.00 C ATOM 34 C VAL A 90 -12.971 -25.588 1.226 1.00 0.00 C ATOM 35 O VAL A 90 -11.949 -24.901 1.183 1.00 0.00 O ATOM 36 CB VAL A 90 -12.581 -28.052 1.280 1.00 0.00 C ATOM 37 CG1 VAL A 90 -12.528 -29.296 2.153 1.00 0.00 C ATOM 38 CG2 VAL A 90 -13.502 -28.266 0.088 1.00 0.00 C ATOM 0 H VAL A 90 -14.874 -27.835 2.256 1.00 0.00 H new ATOM 0 HA VAL A 90 -12.375 -26.710 2.957 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.576 -27.858 0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.202 -30.147 1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -11.825 -29.137 2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.519 -29.497 2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.164 -29.131 -0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -14.519 -28.439 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.484 -27.382 -0.549 1.00 0.00 H new ATOM 48 N LEU A 91 -14.064 -25.300 0.529 1.00 0.00 N ATOM 49 CA LEU A 91 -14.129 -24.136 -0.347 1.00 0.00 C ATOM 50 C LEU A 91 -13.960 -22.846 0.448 1.00 0.00 C ATOM 51 O LEU A 91 -13.255 -21.930 0.023 1.00 0.00 O ATOM 52 CB LEU A 91 -15.460 -24.113 -1.101 1.00 0.00 C ATOM 53 CG LEU A 91 -15.632 -22.991 -2.125 1.00 0.00 C ATOM 54 CD1 LEU A 91 -15.220 -23.465 -3.510 1.00 0.00 C ATOM 55 CD2 LEU A 91 -17.071 -22.495 -2.136 1.00 0.00 C ATOM 0 H LEU A 91 -14.918 -25.857 0.553 1.00 0.00 H new ATOM 0 HA LEU A 91 -13.313 -24.208 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -15.581 -25.067 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -16.267 -24.039 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.985 -22.162 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -15.349 -22.653 -4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -14.174 -23.771 -3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -15.841 -24.311 -3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -17.175 -21.697 -2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -17.737 -23.317 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -17.333 -22.116 -1.148 1.00 0.00 H new ATOM 67 N ARG A 92 -14.610 -22.781 1.606 1.00 0.00 N ATOM 68 CA ARG A 92 -14.531 -21.604 2.461 1.00 0.00 C ATOM 69 C ARG A 92 -13.079 -21.275 2.800 1.00 0.00 C ATOM 70 O ARG A 92 -12.615 -20.160 2.566 1.00 0.00 O ATOM 71 CB ARG A 92 -15.328 -21.827 3.748 1.00 0.00 C ATOM 72 CG ARG A 92 -16.692 -21.157 3.742 1.00 0.00 C ATOM 73 CD ARG A 92 -16.571 -19.646 3.862 1.00 0.00 C ATOM 74 NE ARG A 92 -17.442 -18.951 2.917 1.00 0.00 N ATOM 75 CZ ARG A 92 -18.766 -18.930 3.017 1.00 0.00 C ATOM 76 NH1 ARG A 92 -19.369 -19.562 4.014 1.00 0.00 N ATOM 77 NH2 ARG A 92 -19.489 -18.275 2.118 1.00 0.00 N ATOM 0 H ARG A 92 -15.197 -23.530 1.973 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.960 -20.762 1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -15.459 -22.898 3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.751 -21.450 4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -17.218 -21.409 2.821 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -17.291 -21.542 4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -16.822 -19.342 4.878 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -15.537 -19.350 3.687 1.00 0.00 H new ATOM 0 HE ARG A 92 -17.009 -18.455 2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -18.816 -20.066 4.707 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -20.386 -19.544 4.088 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -19.028 -17.787 1.350 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -20.506 -18.259 2.195 1.00 0.00 H new ATOM 91 N ALA A 93 -12.370 -22.253 3.353 1.00 0.00 N ATOM 92 CA ALA A 93 -10.972 -22.068 3.722 1.00 0.00 C ATOM 93 C ALA A 93 -10.139 -21.637 2.521 1.00 0.00 C ATOM 94 O ALA A 93 -9.234 -20.811 2.643 1.00 0.00 O ATOM 95 CB ALA A 93 -10.412 -23.348 4.324 1.00 0.00 C ATOM 0 H ALA A 93 -12.741 -23.182 3.555 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.921 -21.275 4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.367 -23.196 4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.983 -23.612 5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.484 -24.155 3.595 1.00 0.00 H new ATOM 101 N LYS A 94 -10.449 -22.201 1.358 1.00 0.00 N ATOM 102 CA LYS A 94 -9.729 -21.875 0.133 1.00 0.00 C ATOM 103 C LYS A 94 -9.902 -20.403 -0.225 1.00 0.00 C ATOM 104 O LYS A 94 -8.941 -19.725 -0.588 1.00 0.00 O ATOM 105 CB LYS A 94 -10.222 -22.752 -1.021 1.00 0.00 C ATOM 106 CG LYS A 94 -9.384 -22.627 -2.281 1.00 0.00 C ATOM 107 CD LYS A 94 -8.198 -23.577 -2.259 1.00 0.00 C ATOM 108 CE LYS A 94 -8.482 -24.840 -3.058 1.00 0.00 C ATOM 109 NZ LYS A 94 -8.719 -24.544 -4.497 1.00 0.00 N ATOM 0 H LYS A 94 -11.195 -22.887 1.239 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.670 -22.068 0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.226 -23.793 -0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.253 -22.487 -1.253 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.003 -22.837 -3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.028 -21.602 -2.382 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.321 -23.076 -2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.962 -23.842 -1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.641 -25.527 -2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.355 -25.344 -2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.412 -25.353 -5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.733 -24.373 -4.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.179 -23.699 -4.771 1.00 0.00 H new ATOM 123 N ALA A 95 -11.133 -19.913 -0.118 1.00 0.00 N ATOM 124 CA ALA A 95 -11.431 -18.520 -0.426 1.00 0.00 C ATOM 125 C ALA A 95 -10.639 -17.577 0.474 1.00 0.00 C ATOM 126 O ALA A 95 -10.316 -16.456 0.084 1.00 0.00 O ATOM 127 CB ALA A 95 -12.923 -18.256 -0.288 1.00 0.00 C ATOM 0 H ALA A 95 -11.940 -20.461 0.180 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.134 -18.330 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.131 -17.212 -0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.471 -18.898 -0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.237 -18.469 0.734 1.00 0.00 H new ATOM 133 N ALA A 96 -10.329 -18.040 1.682 1.00 0.00 N ATOM 134 CA ALA A 96 -9.575 -17.238 2.636 1.00 0.00 C ATOM 135 C ALA A 96 -8.202 -16.872 2.082 1.00 0.00 C ATOM 136 O ALA A 96 -7.750 -15.735 2.215 1.00 0.00 O ATOM 137 CB ALA A 96 -9.432 -17.984 3.955 1.00 0.00 C ATOM 0 H ALA A 96 -10.589 -18.966 2.022 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.125 -16.314 2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.866 -17.373 4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -10.420 -18.190 4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.906 -18.924 3.786 1.00 0.00 H new ATOM 143 N LYS A 97 -7.542 -17.844 1.460 1.00 0.00 N ATOM 144 CA LYS A 97 -6.220 -17.625 0.885 1.00 0.00 C ATOM 145 C LYS A 97 -6.273 -16.567 -0.213 1.00 0.00 C ATOM 146 O LYS A 97 -5.429 -15.673 -0.266 1.00 0.00 O ATOM 147 CB LYS A 97 -5.665 -18.934 0.318 1.00 0.00 C ATOM 148 CG LYS A 97 -4.440 -19.445 1.058 1.00 0.00 C ATOM 149 CD LYS A 97 -4.822 -20.399 2.177 1.00 0.00 C ATOM 150 CE LYS A 97 -3.729 -21.424 2.433 1.00 0.00 C ATOM 151 NZ LYS A 97 -3.788 -21.964 3.820 1.00 0.00 N ATOM 0 H LYS A 97 -7.902 -18.791 1.341 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.561 -17.270 1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.444 -19.695 0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.410 -18.787 -0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.776 -19.952 0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.885 -18.602 1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.013 -19.834 3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.749 -20.911 1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.825 -22.243 1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.755 -20.966 2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.027 -22.659 3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.671 -21.186 4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.708 -22.424 3.975 1.00 0.00 H new ATOM 165 N GLU A 98 -7.272 -16.673 -1.084 1.00 0.00 N ATOM 166 CA GLU A 98 -7.433 -15.723 -2.179 1.00 0.00 C ATOM 167 C GLU A 98 -7.566 -14.299 -1.648 1.00 0.00 C ATOM 168 O GLU A 98 -7.011 -13.359 -2.217 1.00 0.00 O ATOM 169 CB GLU A 98 -8.661 -16.083 -3.018 1.00 0.00 C ATOM 170 CG GLU A 98 -8.839 -15.204 -4.245 1.00 0.00 C ATOM 171 CD GLU A 98 -7.888 -15.571 -5.368 1.00 0.00 C ATOM 172 OE1 GLU A 98 -6.669 -15.657 -5.110 1.00 0.00 O ATOM 173 OE2 GLU A 98 -8.363 -15.772 -6.505 1.00 0.00 O ATOM 0 H GLU A 98 -7.981 -17.406 -1.053 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.544 -15.776 -2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.582 -17.123 -3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.552 -16.007 -2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.866 -15.288 -4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.682 -14.162 -3.967 1.00 0.00 H new ATOM 180 N ARG A 99 -8.306 -14.148 -0.554 1.00 0.00 N ATOM 181 CA ARG A 99 -8.514 -12.838 0.053 1.00 0.00 C ATOM 182 C ARG A 99 -7.190 -12.237 0.516 1.00 0.00 C ATOM 183 O ARG A 99 -7.033 -11.018 0.562 1.00 0.00 O ATOM 184 CB ARG A 99 -9.478 -12.948 1.235 1.00 0.00 C ATOM 185 CG ARG A 99 -10.528 -11.850 1.269 1.00 0.00 C ATOM 186 CD ARG A 99 -11.677 -12.148 0.320 1.00 0.00 C ATOM 187 NE ARG A 99 -12.761 -12.869 0.981 1.00 0.00 N ATOM 188 CZ ARG A 99 -13.925 -13.142 0.401 1.00 0.00 C ATOM 189 NH1 ARG A 99 -14.153 -12.755 -0.846 1.00 0.00 N ATOM 190 NH2 ARG A 99 -14.862 -13.802 1.069 1.00 0.00 N ATOM 0 H ARG A 99 -8.771 -14.916 -0.070 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.948 -12.180 -0.701 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.978 -13.916 1.196 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.906 -12.921 2.163 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.911 -11.743 2.284 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.070 -10.898 1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.060 -11.213 -0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.309 -12.737 -0.520 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.617 -13.180 1.942 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.434 -12.247 -1.362 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -15.047 -12.965 -1.290 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.689 -14.101 2.029 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.755 -14.011 0.623 1.00 0.00 H new ATOM 204 N ALA A 100 -6.241 -13.103 0.857 1.00 0.00 N ATOM 205 CA ALA A 100 -4.930 -12.658 1.315 1.00 0.00 C ATOM 206 C ALA A 100 -4.168 -11.953 0.198 1.00 0.00 C ATOM 207 O ALA A 100 -3.771 -10.798 0.338 1.00 0.00 O ATOM 208 CB ALA A 100 -4.127 -13.837 1.843 1.00 0.00 C ATOM 0 H ALA A 100 -6.355 -14.116 0.825 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.079 -11.943 2.124 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.151 -13.490 2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.659 -14.295 2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.996 -14.572 1.049 1.00 0.00 H new ATOM 214 N GLU A 101 -3.968 -12.658 -0.911 1.00 0.00 N ATOM 215 CA GLU A 101 -3.252 -12.100 -2.052 1.00 0.00 C ATOM 216 C GLU A 101 -3.961 -10.857 -2.584 1.00 0.00 C ATOM 217 O GLU A 101 -3.317 -9.878 -2.964 1.00 0.00 O ATOM 218 CB GLU A 101 -3.127 -13.143 -3.164 1.00 0.00 C ATOM 219 CG GLU A 101 -1.728 -13.244 -3.750 1.00 0.00 C ATOM 220 CD GLU A 101 -1.733 -13.678 -5.202 1.00 0.00 C ATOM 221 OE1 GLU A 101 -1.927 -14.885 -5.459 1.00 0.00 O ATOM 222 OE2 GLU A 101 -1.543 -12.813 -6.082 1.00 0.00 O ATOM 0 H GLU A 101 -4.292 -13.616 -1.043 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.255 -11.814 -1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.418 -14.117 -2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.829 -12.898 -3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.232 -12.277 -3.666 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.144 -13.954 -3.165 1.00 0.00 H new ATOM 229 N ARG A 102 -5.288 -10.904 -2.607 1.00 0.00 N ATOM 230 CA ARG A 102 -6.084 -9.783 -3.093 1.00 0.00 C ATOM 231 C ARG A 102 -5.970 -8.587 -2.153 1.00 0.00 C ATOM 232 O ARG A 102 -5.941 -7.438 -2.595 1.00 0.00 O ATOM 233 CB ARG A 102 -7.551 -10.195 -3.235 1.00 0.00 C ATOM 234 CG ARG A 102 -8.031 -10.247 -4.676 1.00 0.00 C ATOM 235 CD ARG A 102 -8.778 -8.979 -5.060 1.00 0.00 C ATOM 236 NE ARG A 102 -10.213 -9.211 -5.204 1.00 0.00 N ATOM 237 CZ ARG A 102 -11.104 -8.236 -5.348 1.00 0.00 C ATOM 238 NH1 ARG A 102 -10.710 -6.970 -5.366 1.00 0.00 N ATOM 239 NH2 ARG A 102 -12.392 -8.527 -5.474 1.00 0.00 N ATOM 0 H ARG A 102 -5.835 -11.706 -2.295 1.00 0.00 H new ATOM 0 HA ARG A 102 -5.698 -9.493 -4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.690 -11.175 -2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.172 -9.493 -2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.178 -10.383 -5.340 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.682 -11.110 -4.813 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.609 -8.215 -4.301 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.378 -8.592 -5.997 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.549 -10.174 -5.193 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -9.720 -6.742 -5.269 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -11.396 -6.224 -5.477 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -12.699 -9.500 -5.460 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -13.076 -7.778 -5.585 1.00 0.00 H new ATOM 253 N ARG A 103 -5.905 -8.865 -0.854 1.00 0.00 N ATOM 254 CA ARG A 103 -5.795 -7.812 0.148 1.00 0.00 C ATOM 255 C ARG A 103 -4.642 -6.869 -0.178 1.00 0.00 C ATOM 256 O ARG A 103 -4.739 -5.658 0.025 1.00 0.00 O ATOM 257 CB ARG A 103 -5.594 -8.420 1.537 1.00 0.00 C ATOM 258 CG ARG A 103 -5.398 -7.385 2.632 1.00 0.00 C ATOM 259 CD ARG A 103 -3.970 -7.392 3.156 1.00 0.00 C ATOM 260 NE ARG A 103 -3.837 -8.191 4.371 1.00 0.00 N ATOM 261 CZ ARG A 103 -2.803 -8.102 5.200 1.00 0.00 C ATOM 262 NH1 ARG A 103 -1.818 -7.251 4.947 1.00 0.00 N ATOM 263 NH2 ARG A 103 -2.754 -8.863 6.286 1.00 0.00 N ATOM 0 H ARG A 103 -5.927 -9.810 -0.472 1.00 0.00 H new ATOM 0 HA ARG A 103 -6.722 -7.239 0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -6.458 -9.037 1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.727 -9.080 1.513 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -5.640 -6.395 2.246 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.088 -7.585 3.451 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.304 -7.786 2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.653 -6.369 3.358 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.579 -8.854 4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.853 -6.663 4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.025 -7.184 5.585 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.511 -9.517 6.485 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.959 -8.794 6.922 1.00 0.00 H new ATOM 277 N LEU A 104 -3.550 -7.431 -0.685 1.00 0.00 N ATOM 278 CA LEU A 104 -2.376 -6.640 -1.039 1.00 0.00 C ATOM 279 C LEU A 104 -2.530 -6.030 -2.429 1.00 0.00 C ATOM 280 O LEU A 104 -1.974 -4.971 -2.716 1.00 0.00 O ATOM 281 CB LEU A 104 -1.117 -7.508 -0.987 1.00 0.00 C ATOM 282 CG LEU A 104 -0.548 -7.781 0.405 1.00 0.00 C ATOM 283 CD1 LEU A 104 0.162 -9.126 0.437 1.00 0.00 C ATOM 284 CD2 LEU A 104 0.401 -6.666 0.821 1.00 0.00 C ATOM 0 H LEU A 104 -3.453 -8.431 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.282 -5.830 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.339 -8.464 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.344 -7.027 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.375 -7.812 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.561 -9.303 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.544 -9.916 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.979 -9.123 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.797 -6.877 1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.224 -6.604 0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.137 -5.718 0.838 1.00 0.00 H new ATOM 296 N GLN A 105 -3.290 -6.706 -3.286 1.00 0.00 N ATOM 297 CA GLN A 105 -3.517 -6.228 -4.644 1.00 0.00 C ATOM 298 C GLN A 105 -4.441 -5.015 -4.647 1.00 0.00 C ATOM 299 O GLN A 105 -4.382 -4.180 -5.550 1.00 0.00 O ATOM 300 CB GLN A 105 -4.116 -7.342 -5.504 1.00 0.00 C ATOM 301 CG GLN A 105 -3.705 -7.270 -6.966 1.00 0.00 C ATOM 302 CD GLN A 105 -3.587 -8.638 -7.608 1.00 0.00 C ATOM 303 OE1 GLN A 105 -4.264 -9.585 -7.206 1.00 0.00 O ATOM 304 NE2 GLN A 105 -2.723 -8.750 -8.610 1.00 0.00 N ATOM 0 H GLN A 105 -3.758 -7.585 -3.064 1.00 0.00 H new ATOM 0 HA GLN A 105 -2.556 -5.930 -5.064 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.813 -8.307 -5.097 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -5.203 -7.296 -5.438 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -4.436 -6.677 -7.516 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.749 -6.752 -7.046 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.183 -7.939 -8.910 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.600 -9.647 -9.079 1.00 0.00 H new ATOM 313 N SER A 106 -5.294 -4.924 -3.632 1.00 0.00 N ATOM 314 CA SER A 106 -6.233 -3.814 -3.520 1.00 0.00 C ATOM 315 C SER A 106 -5.504 -2.475 -3.592 1.00 0.00 C ATOM 316 O SER A 106 -6.024 -1.503 -4.138 1.00 0.00 O ATOM 317 CB SER A 106 -7.016 -3.911 -2.209 1.00 0.00 C ATOM 318 OG SER A 106 -8.404 -3.727 -2.429 1.00 0.00 O ATOM 0 H SER A 106 -5.354 -5.605 -2.875 1.00 0.00 H new ATOM 0 HA SER A 106 -6.929 -3.874 -4.357 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.843 -4.884 -1.750 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.653 -3.159 -1.508 1.00 0.00 H new ATOM 0 HG SER A 106 -8.882 -3.795 -1.576 1.00 0.00 H new ATOM 324 N GLN A 107 -4.297 -2.436 -3.037 1.00 0.00 N ATOM 325 CA GLN A 107 -3.496 -1.217 -3.038 1.00 0.00 C ATOM 326 C GLN A 107 -3.333 -0.674 -4.453 1.00 0.00 C ATOM 327 O GLN A 107 -3.595 0.500 -4.711 1.00 0.00 O ATOM 328 CB GLN A 107 -2.123 -1.484 -2.420 1.00 0.00 C ATOM 329 CG GLN A 107 -1.673 -0.405 -1.447 1.00 0.00 C ATOM 330 CD GLN A 107 -0.732 -0.935 -0.383 1.00 0.00 C ATOM 331 OE1 GLN A 107 -0.230 -2.055 -0.483 1.00 0.00 O ATOM 332 NE2 GLN A 107 -0.487 -0.130 0.644 1.00 0.00 N ATOM 0 H GLN A 107 -3.853 -3.233 -2.581 1.00 0.00 H new ATOM 0 HA GLN A 107 -4.017 -0.469 -2.440 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -2.148 -2.442 -1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -1.386 -1.572 -3.218 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -1.178 0.394 -1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.548 0.034 -0.967 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -0.925 0.790 0.686 1.00 0.00 H new ATOM 0 HE22 GLN A 107 0.139 -0.432 1.391 1.00 0.00 H new ATOM 341 N GLN A 108 -2.898 -1.536 -5.367 1.00 0.00 N ATOM 342 CA GLN A 108 -2.698 -1.141 -6.756 1.00 0.00 C ATOM 343 C GLN A 108 -4.030 -0.823 -7.428 1.00 0.00 C ATOM 344 O GLN A 108 -4.090 -0.022 -8.361 1.00 0.00 O ATOM 345 CB GLN A 108 -1.977 -2.250 -7.525 1.00 0.00 C ATOM 346 CG GLN A 108 -1.355 -1.780 -8.830 1.00 0.00 C ATOM 347 CD GLN A 108 -0.920 -2.930 -9.716 1.00 0.00 C ATOM 348 OE1 GLN A 108 0.242 -3.338 -9.697 1.00 0.00 O ATOM 349 NE2 GLN A 108 -1.852 -3.460 -10.500 1.00 0.00 N ATOM 0 H GLN A 108 -2.677 -2.512 -5.170 1.00 0.00 H new ATOM 0 HA GLN A 108 -2.082 -0.242 -6.767 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -1.197 -2.672 -6.891 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -2.684 -3.052 -7.737 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -2.074 -1.163 -9.369 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.494 -1.149 -8.611 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -2.803 -3.091 -10.484 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -1.617 -4.236 -11.118 1.00 0.00 H new ATOM 358 N ASP A 109 -5.095 -1.456 -6.948 1.00 0.00 N ATOM 359 CA ASP A 109 -6.427 -1.240 -7.502 1.00 0.00 C ATOM 360 C ASP A 109 -7.246 -0.320 -6.603 1.00 0.00 C ATOM 361 O ASP A 109 -8.466 -0.452 -6.509 1.00 0.00 O ATOM 362 CB ASP A 109 -7.151 -2.576 -7.681 1.00 0.00 C ATOM 363 CG ASP A 109 -6.673 -3.334 -8.904 1.00 0.00 C ATOM 364 OD1 ASP A 109 -6.333 -2.679 -9.911 1.00 0.00 O ATOM 365 OD2 ASP A 109 -6.641 -4.582 -8.854 1.00 0.00 O ATOM 0 H ASP A 109 -5.062 -2.123 -6.177 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.316 -0.763 -8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -6.998 -3.190 -6.794 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.223 -2.397 -7.764 1.00 0.00 H new ATOM 382 N ILE A 111 -7.967 3.078 -6.790 1.00 0.00 N ATOM 383 CA ILE A 111 -8.933 3.843 -7.568 1.00 0.00 C ATOM 384 C ILE A 111 -9.278 3.130 -8.871 1.00 0.00 C ATOM 385 O ILE A 111 -9.535 3.770 -9.891 1.00 0.00 O ATOM 386 CB ILE A 111 -8.404 5.253 -7.892 1.00 0.00 C ATOM 387 CG1 ILE A 111 -7.078 5.162 -8.649 1.00 0.00 C ATOM 388 CG2 ILE A 111 -8.237 6.063 -6.615 1.00 0.00 C ATOM 389 CD1 ILE A 111 -6.741 6.414 -9.429 1.00 0.00 C ATOM 0 HA ILE A 111 -9.831 3.932 -6.957 1.00 0.00 H new ATOM 0 HB ILE A 111 -9.130 5.760 -8.528 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.276 4.959 -7.939 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -7.118 4.316 -9.335 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.863 7.057 -6.861 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.200 6.152 -6.112 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -7.529 5.561 -5.956 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.788 6.278 -9.941 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -7.523 6.607 -10.163 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -6.669 7.260 -8.746 1.00 0.00 H new ATOM 401 N ASP A 112 -9.284 1.802 -8.829 1.00 0.00 N ATOM 402 CA ASP A 112 -9.601 1.001 -10.005 1.00 0.00 C ATOM 403 C ASP A 112 -11.072 0.598 -10.008 1.00 0.00 C ATOM 404 O ASP A 112 -11.681 0.436 -11.066 1.00 0.00 O ATOM 405 CB ASP A 112 -8.718 -0.247 -10.053 1.00 0.00 C ATOM 406 CG ASP A 112 -8.784 -0.953 -11.391 1.00 0.00 C ATOM 407 OD1 ASP A 112 -9.083 -0.282 -12.402 1.00 0.00 O ATOM 408 OD2 ASP A 112 -8.539 -2.177 -11.430 1.00 0.00 O ATOM 0 H ASP A 112 -9.073 1.258 -7.993 1.00 0.00 H new ATOM 0 HA ASP A 112 -9.407 1.608 -10.889 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.686 0.034 -9.845 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -9.026 -0.936 -9.267 1.00 0.00 H new ATOM 413 N PHE A 113 -11.638 0.436 -8.817 1.00 0.00 N ATOM 414 CA PHE A 113 -13.038 0.050 -8.681 1.00 0.00 C ATOM 415 C PHE A 113 -13.944 1.278 -8.686 1.00 0.00 C ATOM 416 O PHE A 113 -15.042 1.251 -9.242 1.00 0.00 O ATOM 417 CB PHE A 113 -13.247 -0.747 -7.391 1.00 0.00 C ATOM 418 CG PHE A 113 -14.095 -1.973 -7.575 1.00 0.00 C ATOM 419 CD1 PHE A 113 -13.561 -3.123 -8.134 1.00 0.00 C ATOM 420 CD2 PHE A 113 -15.425 -1.976 -7.187 1.00 0.00 C ATOM 421 CE1 PHE A 113 -14.339 -4.252 -8.305 1.00 0.00 C ATOM 422 CE2 PHE A 113 -16.208 -3.102 -7.354 1.00 0.00 C ATOM 423 CZ PHE A 113 -15.664 -4.242 -7.913 1.00 0.00 C ATOM 0 H PHE A 113 -11.149 0.566 -7.931 1.00 0.00 H new ATOM 0 HA PHE A 113 -13.300 -0.577 -9.533 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -12.276 -1.043 -6.995 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -13.712 -0.102 -6.646 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -12.525 -3.137 -8.439 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -15.855 -1.087 -6.749 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -13.912 -5.141 -8.745 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -17.244 -3.091 -7.048 1.00 0.00 H new ATOM 0 HZ PHE A 113 -16.273 -5.124 -8.043 1.00 0.00 H new ATOM 433 N LYS A 114 -13.476 2.353 -8.062 1.00 0.00 N ATOM 434 CA LYS A 114 -14.242 3.592 -7.994 1.00 0.00 C ATOM 435 C LYS A 114 -14.415 4.202 -9.382 1.00 0.00 C ATOM 436 O LYS A 114 -15.390 4.907 -9.643 1.00 0.00 O ATOM 437 CB LYS A 114 -13.548 4.595 -7.068 1.00 0.00 C ATOM 438 CG LYS A 114 -14.506 5.554 -6.385 1.00 0.00 C ATOM 439 CD LYS A 114 -13.927 6.957 -6.304 1.00 0.00 C ATOM 440 CE LYS A 114 -13.997 7.508 -4.889 1.00 0.00 C ATOM 441 NZ LYS A 114 -15.177 8.395 -4.696 1.00 0.00 N ATOM 0 H LYS A 114 -12.570 2.392 -7.596 1.00 0.00 H new ATOM 0 HA LYS A 114 -15.228 3.358 -7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.990 4.049 -6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -12.823 5.168 -7.645 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -15.449 5.579 -6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -14.730 5.193 -5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -12.890 6.944 -6.639 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -14.472 7.616 -6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -14.044 6.682 -4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -13.085 8.064 -4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -15.188 8.750 -3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -15.120 9.197 -5.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -16.049 7.858 -4.879 1.00 0.00 H new ATOM 455 N ARG A 115 -13.465 3.924 -10.268 1.00 0.00 N ATOM 456 CA ARG A 115 -13.513 4.445 -11.629 1.00 0.00 C ATOM 457 C ARG A 115 -14.243 3.477 -12.556 1.00 0.00 C ATOM 458 O ARG A 115 -14.861 3.889 -13.537 1.00 0.00 O ATOM 459 CB ARG A 115 -12.098 4.699 -12.151 1.00 0.00 C ATOM 460 CG ARG A 115 -12.061 5.224 -13.577 1.00 0.00 C ATOM 461 CD ARG A 115 -11.857 4.099 -14.580 1.00 0.00 C ATOM 462 NE ARG A 115 -10.517 4.120 -15.161 1.00 0.00 N ATOM 463 CZ ARG A 115 -10.098 5.054 -16.007 1.00 0.00 C ATOM 464 NH1 ARG A 115 -10.908 6.039 -16.368 1.00 0.00 N ATOM 465 NH2 ARG A 115 -8.863 5.005 -16.492 1.00 0.00 N ATOM 0 H ARG A 115 -12.652 3.341 -10.068 1.00 0.00 H new ATOM 0 HA ARG A 115 -14.061 5.387 -11.612 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -11.601 5.415 -11.496 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -11.529 3.771 -12.099 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -12.992 5.746 -13.798 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -11.256 5.952 -13.677 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -12.024 3.141 -14.089 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -12.598 4.183 -15.375 1.00 0.00 H new ATOM 0 HE ARG A 115 -9.868 3.377 -14.903 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -11.857 6.081 -15.996 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -10.583 6.755 -17.018 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -8.236 4.250 -16.215 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -8.541 5.722 -17.142 1.00 0.00 H new ATOM 479 N ALA A 116 -14.166 2.189 -12.237 1.00 0.00 N ATOM 480 CA ALA A 116 -14.819 1.163 -13.040 1.00 0.00 C ATOM 481 C ALA A 116 -16.333 1.350 -13.043 1.00 0.00 C ATOM 482 O ALA A 116 -16.982 1.203 -14.077 1.00 0.00 O ATOM 483 CB ALA A 116 -14.459 -0.222 -12.523 1.00 0.00 C ATOM 0 H ALA A 116 -13.658 1.832 -11.428 1.00 0.00 H new ATOM 0 HA ALA A 116 -14.464 1.260 -14.066 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -14.954 -0.978 -13.133 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -13.379 -0.362 -12.578 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -14.785 -0.320 -11.488 1.00 0.00 H new ATOM 489 N GLU A 117 -16.888 1.675 -11.880 1.00 0.00 N ATOM 490 CA GLU A 117 -18.324 1.881 -11.749 1.00 0.00 C ATOM 491 C GLU A 117 -18.777 3.089 -12.565 1.00 0.00 C ATOM 492 O GLU A 117 -19.870 3.094 -13.133 1.00 0.00 O ATOM 493 CB GLU A 117 -18.705 2.073 -10.281 1.00 0.00 C ATOM 494 CG GLU A 117 -18.010 3.253 -9.622 1.00 0.00 C ATOM 495 CD GLU A 117 -18.267 3.322 -8.129 1.00 0.00 C ATOM 496 OE1 GLU A 117 -18.518 2.261 -7.520 1.00 0.00 O ATOM 497 OE2 GLU A 117 -18.216 4.438 -7.570 1.00 0.00 O ATOM 0 H GLU A 117 -16.364 1.801 -11.014 1.00 0.00 H new ATOM 0 HA GLU A 117 -18.827 0.994 -12.133 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -19.784 2.211 -10.209 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -18.462 1.165 -9.729 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -16.937 3.183 -9.799 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -18.351 4.177 -10.089 1.00 0.00 H new ATOM 504 N LEU A 118 -17.931 4.110 -12.620 1.00 0.00 N ATOM 505 CA LEU A 118 -18.242 5.325 -13.365 1.00 0.00 C ATOM 506 C LEU A 118 -18.575 5.001 -14.817 1.00 0.00 C ATOM 507 O LEU A 118 -19.314 5.735 -15.473 1.00 0.00 O ATOM 508 CB LEU A 118 -17.065 6.300 -13.305 1.00 0.00 C ATOM 509 CG LEU A 118 -17.296 7.581 -12.504 1.00 0.00 C ATOM 510 CD1 LEU A 118 -18.323 8.465 -13.194 1.00 0.00 C ATOM 511 CD2 LEU A 118 -17.739 7.252 -11.086 1.00 0.00 C ATOM 0 H LEU A 118 -17.022 4.121 -12.157 1.00 0.00 H new ATOM 0 HA LEU A 118 -19.114 5.791 -12.906 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -16.208 5.778 -12.879 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -16.795 6.576 -14.324 1.00 0.00 H new ATOM 0 HG LEU A 118 -16.354 8.127 -12.451 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -18.474 9.372 -12.609 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -17.965 8.730 -14.189 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -19.267 7.927 -13.280 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -17.899 8.176 -10.531 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -18.668 6.683 -11.118 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -16.968 6.661 -10.592 1.00 0.00 H new ATOM 523 N ALA A 119 -18.026 3.897 -15.313 1.00 0.00 N ATOM 524 CA ALA A 119 -18.270 3.474 -16.687 1.00 0.00 C ATOM 525 C ALA A 119 -19.542 2.640 -16.787 1.00 0.00 C ATOM 526 O ALA A 119 -20.380 2.869 -17.661 1.00 0.00 O ATOM 527 CB ALA A 119 -17.078 2.689 -17.216 1.00 0.00 C ATOM 0 H ALA A 119 -17.410 3.280 -14.784 1.00 0.00 H new ATOM 0 HA ALA A 119 -18.404 4.367 -17.298 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -17.273 2.379 -18.243 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -16.188 3.317 -17.190 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -16.918 1.808 -16.595 1.00 0.00 H new ATOM 533 N LEU A 120 -19.680 1.671 -15.889 1.00 0.00 N ATOM 534 CA LEU A 120 -20.852 0.801 -15.877 1.00 0.00 C ATOM 535 C LEU A 120 -22.137 1.618 -15.791 1.00 0.00 C ATOM 536 O LEU A 120 -22.939 1.635 -16.724 1.00 0.00 O ATOM 537 CB LEU A 120 -20.774 -0.175 -14.702 1.00 0.00 C ATOM 538 CG LEU A 120 -20.221 -1.565 -15.019 1.00 0.00 C ATOM 539 CD1 LEU A 120 -20.054 -2.377 -13.743 1.00 0.00 C ATOM 540 CD2 LEU A 120 -21.129 -2.290 -16.001 1.00 0.00 C ATOM 0 H LEU A 120 -18.996 1.468 -15.160 1.00 0.00 H new ATOM 0 HA LEU A 120 -20.865 0.237 -16.810 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -20.154 0.272 -13.925 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -21.774 -0.290 -14.285 1.00 0.00 H new ATOM 0 HG LEU A 120 -19.241 -1.448 -15.481 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -19.660 -3.363 -13.988 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -19.362 -1.865 -13.074 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -21.021 -2.485 -13.251 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -20.719 -3.277 -16.215 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -22.123 -2.396 -15.567 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -21.196 -1.717 -16.926 1.00 0.00 H new ATOM 552 N LYS A 121 -22.325 2.297 -14.665 1.00 0.00 N ATOM 553 CA LYS A 121 -23.509 3.121 -14.455 1.00 0.00 C ATOM 554 C LYS A 121 -23.132 4.482 -13.881 1.00 0.00 C ATOM 555 O LYS A 121 -22.156 4.605 -13.141 1.00 0.00 O ATOM 556 CB LYS A 121 -24.489 2.413 -13.517 1.00 0.00 C ATOM 557 CG LYS A 121 -23.833 1.845 -12.270 1.00 0.00 C ATOM 558 CD LYS A 121 -24.848 1.167 -11.365 1.00 0.00 C ATOM 559 CE LYS A 121 -24.337 -0.174 -10.860 1.00 0.00 C ATOM 560 NZ LYS A 121 -25.274 -0.792 -9.881 1.00 0.00 N ATOM 0 H LYS A 121 -21.671 2.293 -13.882 1.00 0.00 H new ATOM 0 HA LYS A 121 -23.988 3.276 -15.422 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -25.267 3.116 -13.220 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -24.979 1.605 -14.060 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -23.064 1.128 -12.557 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -23.334 2.645 -11.723 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -25.071 1.815 -10.517 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -25.781 1.021 -11.909 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -24.196 -0.850 -11.704 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -23.361 -0.038 -10.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -24.890 -1.704 -9.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -25.390 -0.159 -9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -26.198 -0.945 -10.334 1.00 0.00 H new