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= -0.161 K(o=-0.16,f=-0.71) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 108 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.44) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 88 -17.783 -28.400 1.507 1.00 0.00 N ATOM 2 CA ILE A 88 -18.004 -26.969 1.672 1.00 0.00 C ATOM 3 C ILE A 88 -16.956 -26.354 2.594 1.00 0.00 C ATOM 4 O ILE A 88 -16.637 -25.169 2.485 1.00 0.00 O ATOM 5 CB ILE A 88 -19.405 -26.677 2.240 1.00 0.00 C ATOM 6 CG1 ILE A 88 -19.589 -27.378 3.588 1.00 0.00 C ATOM 7 CG2 ILE A 88 -20.478 -27.120 1.257 1.00 0.00 C ATOM 8 CD1 ILE A 88 -19.637 -26.426 4.763 1.00 0.00 C ATOM 0 HA ILE A 88 -17.922 -26.521 0.682 1.00 0.00 H new ATOM 0 HB ILE A 88 -19.501 -25.602 2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -20.511 -27.959 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -18.772 -28.084 3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -21.463 -26.907 1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -20.356 -26.580 0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -20.385 -28.191 1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -19.769 -26.992 5.685 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -18.705 -25.863 4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -20.472 -25.736 4.638 1.00 0.00 H new ATOM 20 N ASP A 89 -16.423 -27.166 3.499 1.00 0.00 N ATOM 21 CA ASP A 89 -15.409 -26.702 4.438 1.00 0.00 C ATOM 22 C ASP A 89 -14.111 -26.361 3.712 1.00 0.00 C ATOM 23 O ASP A 89 -13.330 -25.528 4.172 1.00 0.00 O ATOM 24 CB ASP A 89 -15.146 -27.767 5.505 1.00 0.00 C ATOM 25 CG ASP A 89 -15.361 -27.243 6.911 1.00 0.00 C ATOM 26 OD1 ASP A 89 -15.173 -26.027 7.127 1.00 0.00 O ATOM 27 OD2 ASP A 89 -15.718 -28.049 7.796 1.00 0.00 O ATOM 0 H ASP A 89 -16.676 -28.149 3.603 1.00 0.00 H new ATOM 0 HA ASP A 89 -15.782 -25.799 4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -15.804 -28.619 5.333 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -14.123 -28.129 5.408 1.00 0.00 H new ATOM 32 N VAL A 90 -13.886 -27.013 2.576 1.00 0.00 N ATOM 33 CA VAL A 90 -12.683 -26.779 1.785 1.00 0.00 C ATOM 34 C VAL A 90 -12.772 -25.460 1.026 1.00 0.00 C ATOM 35 O VAL A 90 -11.830 -24.667 1.023 1.00 0.00 O ATOM 36 CB VAL A 90 -12.441 -27.921 0.781 1.00 0.00 C ATOM 37 CG1 VAL A 90 -11.091 -27.756 0.100 1.00 0.00 C ATOM 38 CG2 VAL A 90 -12.534 -29.270 1.477 1.00 0.00 C ATOM 0 H VAL A 90 -14.521 -27.708 2.182 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.848 -26.737 2.484 1.00 0.00 H new ATOM 0 HB VAL A 90 -13.215 -27.878 0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.937 -28.572 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -11.066 -26.806 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.301 -27.772 0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.360 -30.066 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.782 -29.326 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.526 -29.387 1.913 1.00 0.00 H new ATOM 48 N LEU A 91 -13.911 -25.231 0.382 1.00 0.00 N ATOM 49 CA LEU A 91 -14.126 -24.006 -0.382 1.00 0.00 C ATOM 50 C LEU A 91 -13.986 -22.777 0.510 1.00 0.00 C ATOM 51 O LEU A 91 -13.586 -21.707 0.051 1.00 0.00 O ATOM 52 CB LEU A 91 -15.509 -24.023 -1.034 1.00 0.00 C ATOM 53 CG LEU A 91 -15.544 -24.363 -2.525 1.00 0.00 C ATOM 54 CD1 LEU A 91 -16.256 -25.686 -2.755 1.00 0.00 C ATOM 55 CD2 LEU A 91 -16.221 -23.248 -3.309 1.00 0.00 C ATOM 0 H LEU A 91 -14.700 -25.877 0.373 1.00 0.00 H new ATOM 0 HA LEU A 91 -13.366 -23.955 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -16.130 -24.744 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -15.967 -23.044 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.518 -24.460 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -16.271 -25.911 -3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -15.730 -26.479 -2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -17.279 -25.618 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -16.237 -23.506 -4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -17.242 -23.120 -2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -15.669 -22.319 -3.171 1.00 0.00 H new ATOM 67 N ARG A 92 -14.318 -22.938 1.787 1.00 0.00 N ATOM 68 CA ARG A 92 -14.229 -21.841 2.743 1.00 0.00 C ATOM 69 C ARG A 92 -12.774 -21.452 2.991 1.00 0.00 C ATOM 70 O ARG A 92 -12.440 -20.269 3.050 1.00 0.00 O ATOM 71 CB ARG A 92 -14.895 -22.233 4.064 1.00 0.00 C ATOM 72 CG ARG A 92 -14.805 -21.157 5.134 1.00 0.00 C ATOM 73 CD ARG A 92 -15.866 -21.348 6.207 1.00 0.00 C ATOM 74 NE ARG A 92 -15.368 -22.128 7.336 1.00 0.00 N ATOM 75 CZ ARG A 92 -16.139 -22.553 8.332 1.00 0.00 C ATOM 76 NH1 ARG A 92 -17.435 -22.275 8.337 1.00 0.00 N ATOM 77 NH2 ARG A 92 -15.613 -23.257 9.324 1.00 0.00 N ATOM 0 H ARG A 92 -14.651 -23.817 2.183 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.750 -20.982 2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -15.944 -22.462 3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.431 -23.146 4.438 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -13.816 -21.179 5.591 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -14.923 -20.175 4.675 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -16.204 -20.374 6.560 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -16.733 -21.848 5.775 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.375 -22.359 7.362 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -17.843 -21.734 7.575 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -18.024 -22.603 9.103 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.616 -23.473 9.323 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -16.205 -23.583 10.088 1.00 0.00 H new ATOM 91 N ALA A 93 -11.915 -22.455 3.134 1.00 0.00 N ATOM 92 CA ALA A 93 -10.497 -22.218 3.373 1.00 0.00 C ATOM 93 C ALA A 93 -9.838 -21.565 2.163 1.00 0.00 C ATOM 94 O ALA A 93 -8.993 -20.680 2.304 1.00 0.00 O ATOM 95 CB ALA A 93 -9.795 -23.522 3.720 1.00 0.00 C ATOM 0 H ALA A 93 -12.176 -23.440 3.089 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.405 -21.534 4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.737 -23.330 3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.241 -23.947 4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.904 -24.225 2.894 1.00 0.00 H new ATOM 101 N LYS A 94 -10.228 -22.008 0.972 1.00 0.00 N ATOM 102 CA LYS A 94 -9.676 -21.467 -0.265 1.00 0.00 C ATOM 103 C LYS A 94 -10.021 -19.990 -0.414 1.00 0.00 C ATOM 104 O LYS A 94 -9.160 -19.171 -0.732 1.00 0.00 O ATOM 105 CB LYS A 94 -10.205 -22.250 -1.468 1.00 0.00 C ATOM 106 CG LYS A 94 -9.202 -22.371 -2.603 1.00 0.00 C ATOM 107 CD LYS A 94 -8.114 -23.382 -2.280 1.00 0.00 C ATOM 108 CE LYS A 94 -7.764 -24.229 -3.494 1.00 0.00 C ATOM 109 NZ LYS A 94 -8.193 -25.645 -3.323 1.00 0.00 N ATOM 0 H LYS A 94 -10.925 -22.741 0.837 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.591 -21.566 -0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.495 -23.249 -1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.106 -21.763 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.718 -22.669 -3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.750 -21.398 -2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.223 -22.860 -1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.446 -24.028 -1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.241 -23.809 -4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.688 -24.193 -3.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.937 -26.190 -4.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.719 -26.054 -2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.223 -25.681 -3.186 1.00 0.00 H new ATOM 123 N ALA A 95 -11.287 -19.656 -0.181 1.00 0.00 N ATOM 124 CA ALA A 95 -11.745 -18.276 -0.287 1.00 0.00 C ATOM 125 C ALA A 95 -10.956 -17.363 0.646 1.00 0.00 C ATOM 126 O ALA A 95 -10.606 -16.241 0.281 1.00 0.00 O ATOM 127 CB ALA A 95 -13.232 -18.189 0.019 1.00 0.00 C ATOM 0 H ALA A 95 -12.013 -20.322 0.082 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.576 -17.940 -1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.561 -17.153 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.786 -18.803 -0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.417 -18.548 1.031 1.00 0.00 H new ATOM 133 N ALA A 96 -10.682 -17.851 1.851 1.00 0.00 N ATOM 134 CA ALA A 96 -9.934 -17.079 2.836 1.00 0.00 C ATOM 135 C ALA A 96 -8.544 -16.726 2.316 1.00 0.00 C ATOM 136 O ALA A 96 -8.105 -15.580 2.415 1.00 0.00 O ATOM 137 CB ALA A 96 -9.830 -17.850 4.143 1.00 0.00 C ATOM 0 H ALA A 96 -10.967 -18.777 2.169 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.473 -16.149 3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.269 -17.261 4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -10.830 -18.046 4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.316 -18.795 3.968 1.00 0.00 H new ATOM 143 N LYS A 97 -7.855 -17.718 1.762 1.00 0.00 N ATOM 144 CA LYS A 97 -6.515 -17.512 1.226 1.00 0.00 C ATOM 145 C LYS A 97 -6.533 -16.493 0.092 1.00 0.00 C ATOM 146 O LYS A 97 -5.664 -15.625 0.012 1.00 0.00 O ATOM 147 CB LYS A 97 -5.936 -18.837 0.725 1.00 0.00 C ATOM 148 CG LYS A 97 -4.417 -18.863 0.691 1.00 0.00 C ATOM 149 CD LYS A 97 -3.826 -18.739 2.085 1.00 0.00 C ATOM 150 CE LYS A 97 -2.492 -19.461 2.191 1.00 0.00 C ATOM 151 NZ LYS A 97 -1.374 -18.644 1.642 1.00 0.00 N ATOM 0 H LYS A 97 -8.203 -18.673 1.673 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.885 -17.126 2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.291 -19.644 1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.317 -19.035 -0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.078 -19.792 0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.052 -18.048 0.066 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.692 -17.686 2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.523 -19.151 2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.290 -19.698 3.235 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.548 -20.408 1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.482 -19.171 1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.554 -18.439 0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.304 -17.751 2.171 1.00 0.00 H new ATOM 165 N GLU A 98 -7.529 -16.603 -0.782 1.00 0.00 N ATOM 166 CA GLU A 98 -7.659 -15.689 -1.911 1.00 0.00 C ATOM 167 C GLU A 98 -7.752 -14.244 -1.432 1.00 0.00 C ATOM 168 O GLU A 98 -7.087 -13.357 -1.967 1.00 0.00 O ATOM 169 CB GLU A 98 -8.893 -16.044 -2.743 1.00 0.00 C ATOM 170 CG GLU A 98 -9.062 -15.178 -3.980 1.00 0.00 C ATOM 171 CD GLU A 98 -10.387 -14.441 -4.000 1.00 0.00 C ATOM 172 OE1 GLU A 98 -10.495 -13.394 -3.328 1.00 0.00 O ATOM 173 OE2 GLU A 98 -11.316 -14.912 -4.689 1.00 0.00 O ATOM 0 H GLU A 98 -8.257 -17.315 -0.730 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.770 -15.790 -2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.828 -17.089 -3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.781 -15.949 -2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.248 -14.455 -4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.985 -15.803 -4.870 1.00 0.00 H new ATOM 180 N ARG A 99 -8.584 -14.014 -0.420 1.00 0.00 N ATOM 181 CA ARG A 99 -8.767 -12.676 0.130 1.00 0.00 C ATOM 182 C ARG A 99 -7.440 -12.103 0.618 1.00 0.00 C ATOM 183 O ARG A 99 -7.222 -10.893 0.575 1.00 0.00 O ATOM 184 CB ARG A 99 -9.775 -12.709 1.280 1.00 0.00 C ATOM 185 CG ARG A 99 -11.220 -12.815 0.820 1.00 0.00 C ATOM 186 CD ARG A 99 -12.015 -11.572 1.187 1.00 0.00 C ATOM 187 NE ARG A 99 -12.969 -11.206 0.143 1.00 0.00 N ATOM 188 CZ ARG A 99 -14.023 -10.425 0.353 1.00 0.00 C ATOM 189 NH1 ARG A 99 -14.257 -9.931 1.561 1.00 0.00 N ATOM 190 NH2 ARG A 99 -14.846 -10.137 -0.647 1.00 0.00 N ATOM 0 H ARG A 99 -9.141 -14.737 0.035 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.151 -12.033 -0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.546 -13.555 1.929 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.659 -11.806 1.880 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.249 -12.961 -0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.684 -13.691 1.273 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.549 -11.745 2.121 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.331 -10.742 1.360 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.818 -11.570 -0.798 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.627 -10.150 2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -15.067 -9.332 1.719 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.670 -10.515 -1.578 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.655 -9.537 -0.485 1.00 0.00 H new ATOM 204 N ALA A 100 -6.557 -12.981 1.082 1.00 0.00 N ATOM 205 CA ALA A 100 -5.251 -12.563 1.578 1.00 0.00 C ATOM 206 C ALA A 100 -4.187 -12.692 0.494 1.00 0.00 C ATOM 207 O ALA A 100 -2.991 -12.712 0.786 1.00 0.00 O ATOM 208 CB ALA A 100 -4.864 -13.381 2.801 1.00 0.00 C ATOM 0 H ALA A 100 -6.722 -13.987 1.125 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.317 -11.513 1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.887 -13.058 3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.606 -13.235 3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.822 -14.437 2.534 1.00 0.00 H new ATOM 214 N GLU A 101 -4.629 -12.779 -0.757 1.00 0.00 N ATOM 215 CA GLU A 101 -3.712 -12.908 -1.884 1.00 0.00 C ATOM 216 C GLU A 101 -3.755 -11.663 -2.765 1.00 0.00 C ATOM 217 O GLU A 101 -2.724 -11.194 -3.247 1.00 0.00 O ATOM 218 CB GLU A 101 -4.058 -14.146 -2.713 1.00 0.00 C ATOM 219 CG GLU A 101 -3.253 -14.264 -3.996 1.00 0.00 C ATOM 220 CD GLU A 101 -2.669 -15.650 -4.192 1.00 0.00 C ATOM 221 OE1 GLU A 101 -3.380 -16.639 -3.918 1.00 0.00 O ATOM 222 OE2 GLU A 101 -1.499 -15.746 -4.620 1.00 0.00 O ATOM 0 H GLU A 101 -5.616 -12.763 -1.015 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.702 -13.017 -1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.892 -15.037 -2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -5.119 -14.122 -2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.891 -14.019 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.446 -13.532 -3.983 1.00 0.00 H new ATOM 229 N ARG A 102 -4.956 -11.134 -2.972 1.00 0.00 N ATOM 230 CA ARG A 102 -5.135 -9.945 -3.797 1.00 0.00 C ATOM 231 C ARG A 102 -4.988 -8.677 -2.962 1.00 0.00 C ATOM 232 O ARG A 102 -4.493 -7.658 -3.445 1.00 0.00 O ATOM 233 CB ARG A 102 -6.508 -9.969 -4.471 1.00 0.00 C ATOM 234 CG ARG A 102 -7.665 -10.097 -3.494 1.00 0.00 C ATOM 235 CD ARG A 102 -8.482 -8.816 -3.426 1.00 0.00 C ATOM 236 NE ARG A 102 -9.781 -9.029 -2.794 1.00 0.00 N ATOM 237 CZ ARG A 102 -10.672 -8.062 -2.601 1.00 0.00 C ATOM 238 NH1 ARG A 102 -10.404 -6.823 -2.989 1.00 0.00 N ATOM 239 NH2 ARG A 102 -11.833 -8.334 -2.018 1.00 0.00 N ATOM 0 H ARG A 102 -5.820 -11.510 -2.580 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.361 -9.945 -4.564 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.634 -9.055 -5.052 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.544 -10.801 -5.174 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.308 -10.924 -3.796 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.281 -10.338 -2.503 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.927 -8.061 -2.869 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.628 -8.425 -4.433 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.017 -9.971 -2.484 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -9.513 -6.610 -3.437 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -11.089 -6.082 -2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -12.042 -9.286 -1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.516 -7.591 -1.870 1.00 0.00 H new ATOM 253 N ARG A 103 -5.422 -8.747 -1.708 1.00 0.00 N ATOM 254 CA ARG A 103 -5.340 -7.604 -0.807 1.00 0.00 C ATOM 255 C ARG A 103 -3.911 -7.403 -0.311 1.00 0.00 C ATOM 256 O ARG A 103 -3.452 -6.272 -0.147 1.00 0.00 O ATOM 257 CB ARG A 103 -6.281 -7.798 0.384 1.00 0.00 C ATOM 258 CG ARG A 103 -7.146 -6.583 0.681 1.00 0.00 C ATOM 259 CD ARG A 103 -6.452 -5.627 1.639 1.00 0.00 C ATOM 260 NE ARG A 103 -6.164 -4.339 1.013 1.00 0.00 N ATOM 261 CZ ARG A 103 -7.071 -3.381 0.851 1.00 0.00 C ATOM 262 NH1 ARG A 103 -8.315 -3.566 1.268 1.00 0.00 N ATOM 263 NH2 ARG A 103 -6.731 -2.237 0.273 1.00 0.00 N ATOM 0 H ARG A 103 -5.834 -9.583 -1.293 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.643 -6.715 -1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -6.927 -8.655 0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -5.690 -8.038 1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -7.378 -6.064 -0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -8.094 -6.906 1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.081 -5.472 2.515 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -5.523 -6.076 1.989 1.00 0.00 H new ATOM 0 HE ARG A 103 -5.215 -4.165 0.682 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.578 -4.445 1.714 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -9.010 -2.830 1.143 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.773 -2.092 -0.047 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -7.427 -1.502 0.149 1.00 0.00 H new ATOM 277 N LEU A 104 -3.212 -8.508 -0.075 1.00 0.00 N ATOM 278 CA LEU A 104 -1.834 -8.455 0.403 1.00 0.00 C ATOM 279 C LEU A 104 -0.928 -7.781 -0.624 1.00 0.00 C ATOM 280 O LEU A 104 0.047 -7.121 -0.265 1.00 0.00 O ATOM 281 CB LEU A 104 -1.323 -9.864 0.704 1.00 0.00 C ATOM 282 CG LEU A 104 -0.707 -10.074 2.088 1.00 0.00 C ATOM 283 CD1 LEU A 104 -1.796 -10.286 3.129 1.00 0.00 C ATOM 284 CD2 LEU A 104 0.254 -11.252 2.072 1.00 0.00 C ATOM 0 H LEU A 104 -3.576 -9.452 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.815 -7.866 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.152 -10.562 0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.578 -10.127 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.146 -9.178 2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.340 -10.434 4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.445 -9.411 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.384 -11.165 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.682 -11.386 3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.283 -12.156 1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.053 -11.060 1.355 1.00 0.00 H new ATOM 296 N GLN A 105 -1.259 -7.951 -1.899 1.00 0.00 N ATOM 297 CA GLN A 105 -0.476 -7.359 -2.977 1.00 0.00 C ATOM 298 C GLN A 105 -0.458 -5.837 -2.864 1.00 0.00 C ATOM 299 O GLN A 105 0.522 -5.189 -3.230 1.00 0.00 O ATOM 300 CB GLN A 105 -1.042 -7.774 -4.336 1.00 0.00 C ATOM 301 CG GLN A 105 -0.574 -9.145 -4.797 1.00 0.00 C ATOM 302 CD GLN A 105 0.306 -9.077 -6.030 1.00 0.00 C ATOM 303 OE1 GLN A 105 0.082 -8.258 -6.921 1.00 0.00 O ATOM 304 NE2 GLN A 105 1.314 -9.940 -6.086 1.00 0.00 N ATOM 0 H GLN A 105 -2.064 -8.494 -2.211 1.00 0.00 H new ATOM 0 HA GLN A 105 0.547 -7.725 -2.891 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.131 -7.770 -4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -0.756 -7.032 -5.081 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -0.024 -9.628 -3.989 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.442 -9.769 -5.009 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.462 -10.602 -5.324 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.940 -9.941 -6.891 1.00 0.00 H new ATOM 313 N SER A 106 -1.549 -5.274 -2.355 1.00 0.00 N ATOM 314 CA SER A 106 -1.660 -3.829 -2.197 1.00 0.00 C ATOM 315 C SER A 106 -0.630 -3.310 -1.199 1.00 0.00 C ATOM 316 O SER A 106 0.009 -2.283 -1.429 1.00 0.00 O ATOM 317 CB SER A 106 -3.069 -3.452 -1.735 1.00 0.00 C ATOM 318 OG SER A 106 -3.143 -2.079 -1.392 1.00 0.00 O ATOM 0 H SER A 106 -2.368 -5.796 -2.045 1.00 0.00 H new ATOM 0 HA SER A 106 -1.467 -3.367 -3.165 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.786 -3.671 -2.527 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.348 -4.061 -0.875 1.00 0.00 H new ATOM 0 HG SER A 106 -4.054 -1.863 -1.102 1.00 0.00 H new ATOM 324 N GLN A 107 -0.474 -4.028 -0.092 1.00 0.00 N ATOM 325 CA GLN A 107 0.478 -3.640 0.942 1.00 0.00 C ATOM 326 C GLN A 107 1.902 -4.000 0.532 1.00 0.00 C ATOM 327 O GLN A 107 2.848 -3.275 0.839 1.00 0.00 O ATOM 328 CB GLN A 107 0.129 -4.319 2.268 1.00 0.00 C ATOM 329 CG GLN A 107 0.515 -3.502 3.490 1.00 0.00 C ATOM 330 CD GLN A 107 0.054 -4.138 4.786 1.00 0.00 C ATOM 331 OE1 GLN A 107 -0.543 -3.477 5.637 1.00 0.00 O ATOM 332 NE2 GLN A 107 0.330 -5.427 4.944 1.00 0.00 N ATOM 0 H GLN A 107 -0.994 -4.881 0.112 1.00 0.00 H new ATOM 0 HA GLN A 107 0.418 -2.559 1.069 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.943 -4.514 2.296 1.00 0.00 H new ATOM 0 HB3 GLN A 107 0.630 -5.286 2.315 1.00 0.00 H new ATOM 0 HG2 GLN A 107 1.598 -3.381 3.514 1.00 0.00 H new ATOM 0 HG3 GLN A 107 0.085 -2.504 3.406 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.827 -5.936 4.213 1.00 0.00 H new ATOM 0 HE22 GLN A 107 0.045 -5.909 5.797 1.00 0.00 H new ATOM 341 N GLN A 108 2.047 -5.125 -0.161 1.00 0.00 N ATOM 342 CA GLN A 108 3.357 -5.581 -0.611 1.00 0.00 C ATOM 343 C GLN A 108 3.964 -4.598 -1.606 1.00 0.00 C ATOM 344 O GLN A 108 5.184 -4.455 -1.688 1.00 0.00 O ATOM 345 CB GLN A 108 3.247 -6.967 -1.248 1.00 0.00 C ATOM 346 CG GLN A 108 4.114 -8.018 -0.573 1.00 0.00 C ATOM 347 CD GLN A 108 3.298 -9.128 0.061 1.00 0.00 C ATOM 348 OE1 GLN A 108 2.678 -9.933 -0.635 1.00 0.00 O ATOM 349 NE2 GLN A 108 3.295 -9.177 1.388 1.00 0.00 N ATOM 0 H GLN A 108 1.274 -5.737 -0.423 1.00 0.00 H new ATOM 0 HA GLN A 108 4.011 -5.639 0.259 1.00 0.00 H new ATOM 0 HB2 GLN A 108 2.207 -7.291 -1.216 1.00 0.00 H new ATOM 0 HB3 GLN A 108 3.527 -6.898 -2.299 1.00 0.00 H new ATOM 0 HG2 GLN A 108 4.796 -8.447 -1.307 1.00 0.00 H new ATOM 0 HG3 GLN A 108 4.728 -7.541 0.191 1.00 0.00 H new ATOM 0 HE21 GLN A 108 3.823 -8.489 1.925 1.00 0.00 H new ATOM 0 HE22 GLN A 108 2.764 -9.902 1.870 1.00 0.00 H new ATOM 358 N ASP A 109 3.104 -3.923 -2.362 1.00 0.00 N ATOM 359 CA ASP A 109 3.555 -2.952 -3.353 1.00 0.00 C ATOM 360 C ASP A 109 4.229 -1.761 -2.678 1.00 0.00 C ATOM 361 O ASP A 109 5.197 -1.206 -3.198 1.00 0.00 O ATOM 362 CB ASP A 109 2.377 -2.474 -4.202 1.00 0.00 C ATOM 363 CG ASP A 109 2.815 -1.591 -5.354 1.00 0.00 C ATOM 364 OD1 ASP A 109 4.037 -1.486 -5.592 1.00 0.00 O ATOM 365 OD2 ASP A 109 1.936 -1.005 -6.019 1.00 0.00 O ATOM 0 H ASP A 109 2.091 -4.030 -2.307 1.00 0.00 H new ATOM 0 HA ASP A 109 4.284 -3.440 -4.000 1.00 0.00 H new ATOM 0 HB2 ASP A 109 1.841 -3.338 -4.594 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.678 -1.924 -3.572 1.00 0.00 H new ATOM 382 N ILE A 111 5.688 -1.906 0.272 1.00 0.00 N ATOM 383 CA ILE A 111 6.889 -2.403 0.930 1.00 0.00 C ATOM 384 C ILE A 111 7.983 -2.716 -0.086 1.00 0.00 C ATOM 385 O ILE A 111 9.172 -2.587 0.207 1.00 0.00 O ATOM 386 CB ILE A 111 6.596 -3.669 1.757 1.00 0.00 C ATOM 387 CG1 ILE A 111 5.518 -3.382 2.805 1.00 0.00 C ATOM 388 CG2 ILE A 111 7.868 -4.174 2.423 1.00 0.00 C ATOM 389 CD1 ILE A 111 4.971 -4.627 3.466 1.00 0.00 C ATOM 0 HA ILE A 111 7.231 -1.613 1.599 1.00 0.00 H new ATOM 0 HB ILE A 111 6.228 -4.445 1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 111 5.933 -2.726 3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 111 4.698 -2.841 2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.644 -5.069 3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 111 8.608 -4.413 1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.264 -3.403 3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 111 4.212 -4.347 4.197 1.00 0.00 H new ATOM 0 HD12 ILE A 111 4.526 -5.275 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 111 5.780 -5.158 3.968 1.00 0.00 H new ATOM 401 N ASP A 112 7.573 -3.127 -1.280 1.00 0.00 N ATOM 402 CA ASP A 112 8.518 -3.455 -2.342 1.00 0.00 C ATOM 403 C ASP A 112 9.472 -2.292 -2.599 1.00 0.00 C ATOM 404 O ASP A 112 10.650 -2.496 -2.891 1.00 0.00 O ATOM 405 CB ASP A 112 7.770 -3.811 -3.627 1.00 0.00 C ATOM 406 CG ASP A 112 8.699 -3.962 -4.815 1.00 0.00 C ATOM 407 OD1 ASP A 112 9.680 -4.726 -4.708 1.00 0.00 O ATOM 408 OD2 ASP A 112 8.446 -3.314 -5.853 1.00 0.00 O ATOM 0 H ASP A 112 6.593 -3.241 -1.538 1.00 0.00 H new ATOM 0 HA ASP A 112 9.103 -4.317 -2.021 1.00 0.00 H new ATOM 0 HB2 ASP A 112 7.221 -4.741 -3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 112 7.034 -3.037 -3.842 1.00 0.00 H new ATOM 413 N PHE A 113 8.954 -1.074 -2.489 1.00 0.00 N ATOM 414 CA PHE A 113 9.759 0.122 -2.713 1.00 0.00 C ATOM 415 C PHE A 113 10.979 0.135 -1.796 1.00 0.00 C ATOM 416 O PHE A 113 12.117 0.199 -2.260 1.00 0.00 O ATOM 417 CB PHE A 113 8.918 1.379 -2.479 1.00 0.00 C ATOM 418 CG PHE A 113 9.151 2.454 -3.502 1.00 0.00 C ATOM 419 CD1 PHE A 113 10.424 2.953 -3.726 1.00 0.00 C ATOM 420 CD2 PHE A 113 8.096 2.965 -4.241 1.00 0.00 C ATOM 421 CE1 PHE A 113 10.641 3.942 -4.667 1.00 0.00 C ATOM 422 CE2 PHE A 113 8.307 3.954 -5.184 1.00 0.00 C ATOM 423 CZ PHE A 113 9.581 4.443 -5.396 1.00 0.00 C ATOM 0 H PHE A 113 7.981 -0.888 -2.246 1.00 0.00 H new ATOM 0 HA PHE A 113 10.103 0.110 -3.747 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.863 1.107 -2.484 1.00 0.00 H new ATOM 0 HB3 PHE A 113 9.140 1.776 -1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 113 11.257 2.565 -3.159 1.00 0.00 H new ATOM 0 HD2 PHE A 113 7.098 2.586 -4.079 1.00 0.00 H new ATOM 0 HE1 PHE A 113 11.638 4.322 -4.832 1.00 0.00 H new ATOM 0 HE2 PHE A 113 7.477 4.344 -5.754 1.00 0.00 H new ATOM 0 HZ PHE A 113 9.748 5.216 -6.131 1.00 0.00 H new ATOM 433 N LYS A 114 10.732 0.073 -0.492 1.00 0.00 N ATOM 434 CA LYS A 114 11.809 0.077 0.492 1.00 0.00 C ATOM 435 C LYS A 114 12.773 -1.079 0.248 1.00 0.00 C ATOM 436 O LYS A 114 13.983 -0.938 0.424 1.00 0.00 O ATOM 437 CB LYS A 114 11.234 -0.014 1.907 1.00 0.00 C ATOM 438 CG LYS A 114 11.959 0.859 2.916 1.00 0.00 C ATOM 439 CD LYS A 114 10.994 1.754 3.676 1.00 0.00 C ATOM 440 CE LYS A 114 11.651 2.367 4.903 1.00 0.00 C ATOM 441 NZ LYS A 114 10.950 3.603 5.348 1.00 0.00 N ATOM 0 H LYS A 114 9.795 0.019 -0.092 1.00 0.00 H new ATOM 0 HA LYS A 114 12.359 1.013 0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 114 10.182 0.271 1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 114 11.275 -1.051 2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 114 12.502 0.228 3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 114 12.698 1.473 2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.637 2.547 3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.122 1.175 3.980 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.655 1.639 5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 114 12.692 2.600 4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 11.428 3.990 6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 10.968 4.307 4.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 9.963 3.376 5.586 1.00 0.00 H new ATOM 455 N ARG A 115 12.229 -2.221 -0.161 1.00 0.00 N ATOM 456 CA ARG A 115 13.042 -3.401 -0.429 1.00 0.00 C ATOM 457 C ARG A 115 13.973 -3.162 -1.613 1.00 0.00 C ATOM 458 O ARG A 115 15.055 -3.743 -1.692 1.00 0.00 O ATOM 459 CB ARG A 115 12.146 -4.610 -0.707 1.00 0.00 C ATOM 460 CG ARG A 115 12.688 -5.912 -0.139 1.00 0.00 C ATOM 461 CD ARG A 115 12.488 -7.068 -1.107 1.00 0.00 C ATOM 462 NE ARG A 115 13.195 -8.271 -0.676 1.00 0.00 N ATOM 463 CZ ARG A 115 13.045 -9.458 -1.254 1.00 0.00 C ATOM 464 NH1 ARG A 115 12.218 -9.599 -2.281 1.00 0.00 N ATOM 465 NH2 ARG A 115 13.723 -10.505 -0.806 1.00 0.00 N ATOM 0 H ARG A 115 11.229 -2.354 -0.314 1.00 0.00 H new ATOM 0 HA ARG A 115 13.649 -3.602 0.454 1.00 0.00 H new ATOM 0 HB2 ARG A 115 11.158 -4.424 -0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 115 12.019 -4.718 -1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 115 13.750 -5.800 0.081 1.00 0.00 H new ATOM 0 HG3 ARG A 115 12.188 -6.135 0.804 1.00 0.00 H new ATOM 0 HD2 ARG A 115 11.424 -7.286 -1.197 1.00 0.00 H new ATOM 0 HD3 ARG A 115 12.839 -6.777 -2.097 1.00 0.00 H new ATOM 0 HE ARG A 115 13.839 -8.196 0.111 1.00 0.00 H new ATOM 0 HH11 ARG A 115 11.695 -8.795 -2.629 1.00 0.00 H new ATOM 0 HH12 ARG A 115 12.105 -10.511 -2.723 1.00 0.00 H new ATOM 0 HH21 ARG A 115 14.361 -10.400 -0.017 1.00 0.00 H new ATOM 0 HH22 ARG A 115 13.607 -11.416 -1.250 1.00 0.00 H new ATOM 479 N ALA A 116 13.545 -2.303 -2.532 1.00 0.00 N ATOM 480 CA ALA A 116 14.341 -1.985 -3.712 1.00 0.00 C ATOM 481 C ALA A 116 15.749 -1.547 -3.322 1.00 0.00 C ATOM 482 O ALA A 116 16.715 -1.836 -4.026 1.00 0.00 O ATOM 483 CB ALA A 116 13.658 -0.903 -4.534 1.00 0.00 C ATOM 0 H ALA A 116 12.651 -1.814 -2.482 1.00 0.00 H new ATOM 0 HA ALA A 116 14.424 -2.887 -4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 116 14.264 -0.676 -5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.676 -1.253 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 116 13.545 -0.004 -3.929 1.00 0.00 H new ATOM 489 N GLU A 117 15.856 -0.848 -2.196 1.00 0.00 N ATOM 490 CA GLU A 117 17.146 -0.369 -1.715 1.00 0.00 C ATOM 491 C GLU A 117 18.135 -1.522 -1.570 1.00 0.00 C ATOM 492 O GLU A 117 19.341 -1.347 -1.748 1.00 0.00 O ATOM 493 CB GLU A 117 16.981 0.347 -0.373 1.00 0.00 C ATOM 494 CG GLU A 117 16.041 1.540 -0.431 1.00 0.00 C ATOM 495 CD GLU A 117 16.581 2.745 0.313 1.00 0.00 C ATOM 496 OE1 GLU A 117 17.703 3.188 -0.010 1.00 0.00 O ATOM 497 OE2 GLU A 117 15.883 3.245 1.220 1.00 0.00 O ATOM 0 H GLU A 117 15.065 -0.601 -1.601 1.00 0.00 H new ATOM 0 HA GLU A 117 17.540 0.335 -2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 117 16.608 -0.363 0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 117 17.959 0.682 -0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 117 15.866 1.809 -1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 117 15.077 1.259 -0.008 1.00 0.00 H new ATOM 504 N LEU A 118 17.616 -2.701 -1.246 1.00 0.00 N ATOM 505 CA LEU A 118 18.452 -3.885 -1.076 1.00 0.00 C ATOM 506 C LEU A 118 18.921 -4.418 -2.426 1.00 0.00 C ATOM 507 O LEU A 118 20.037 -4.920 -2.552 1.00 0.00 O ATOM 508 CB LEU A 118 17.683 -4.972 -0.324 1.00 0.00 C ATOM 509 CG LEU A 118 18.513 -6.152 0.183 1.00 0.00 C ATOM 510 CD1 LEU A 118 19.279 -5.765 1.438 1.00 0.00 C ATOM 511 CD2 LEU A 118 17.621 -7.356 0.450 1.00 0.00 C ATOM 0 H LEU A 118 16.620 -2.863 -1.096 1.00 0.00 H new ATOM 0 HA LEU A 118 19.329 -3.601 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 118 17.183 -4.512 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 118 16.903 -5.358 -0.981 1.00 0.00 H new ATOM 0 HG LEU A 118 19.234 -6.423 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 118 19.864 -6.617 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 118 19.947 -4.933 1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 118 18.576 -5.467 2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 118 18.229 -8.186 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 118 16.877 -7.098 1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 118 17.118 -7.648 -0.472 1.00 0.00 H new ATOM 523 N ALA A 119 18.062 -4.303 -3.433 1.00 0.00 N ATOM 524 CA ALA A 119 18.390 -4.770 -4.774 1.00 0.00 C ATOM 525 C ALA A 119 19.436 -3.873 -5.427 1.00 0.00 C ATOM 526 O ALA A 119 20.183 -4.309 -6.304 1.00 0.00 O ATOM 527 CB ALA A 119 17.135 -4.832 -5.633 1.00 0.00 C ATOM 0 H ALA A 119 17.133 -3.890 -3.346 1.00 0.00 H new ATOM 0 HA ALA A 119 18.810 -5.772 -4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 119 17.395 -5.182 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 119 16.419 -5.519 -5.182 1.00 0.00 H new ATOM 0 HB3 ALA A 119 16.691 -3.839 -5.701 1.00 0.00 H new ATOM 533 N LEU A 120 19.485 -2.617 -4.995 1.00 0.00 N ATOM 534 CA LEU A 120 20.440 -1.658 -5.537 1.00 0.00 C ATOM 535 C LEU A 120 21.796 -1.792 -4.852 1.00 0.00 C ATOM 536 O LEU A 120 22.836 -1.510 -5.448 1.00 0.00 O ATOM 537 CB LEU A 120 19.911 -0.233 -5.371 1.00 0.00 C ATOM 538 CG LEU A 120 20.258 0.748 -6.493 1.00 0.00 C ATOM 539 CD1 LEU A 120 19.490 0.404 -7.759 1.00 0.00 C ATOM 540 CD2 LEU A 120 19.968 2.177 -6.061 1.00 0.00 C ATOM 0 H LEU A 120 18.874 -2.240 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 120 20.568 -1.871 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 120 18.826 -0.278 -5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 120 20.295 0.169 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 120 21.324 0.665 -6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 120 19.750 1.112 -8.546 1.00 0.00 H new ATOM 0 HD12 LEU A 120 19.749 -0.605 -8.079 1.00 0.00 H new ATOM 0 HD13 LEU A 120 18.419 0.458 -7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 120 20.221 2.861 -6.872 1.00 0.00 H new ATOM 0 HD22 LEU A 120 18.910 2.276 -5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 120 20.565 2.420 -5.182 1.00 0.00 H new ATOM 552 N LYS A 121 21.778 -2.227 -3.597 1.00 0.00 N ATOM 553 CA LYS A 121 23.006 -2.403 -2.830 1.00 0.00 C ATOM 554 C LYS A 121 23.060 -3.791 -2.202 1.00 0.00 C ATOM 555 O LYS A 121 22.510 -4.017 -1.124 1.00 0.00 O ATOM 556 CB LYS A 121 23.108 -1.334 -1.740 1.00 0.00 C ATOM 557 CG LYS A 121 23.427 0.051 -2.274 1.00 0.00 C ATOM 558 CD LYS A 121 22.235 0.986 -2.146 1.00 0.00 C ATOM 559 CE LYS A 121 22.161 1.607 -0.759 1.00 0.00 C ATOM 560 NZ LYS A 121 22.390 3.078 -0.796 1.00 0.00 N ATOM 0 H LYS A 121 20.926 -2.464 -3.089 1.00 0.00 H new ATOM 0 HA LYS A 121 23.850 -2.299 -3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 121 22.167 -1.295 -1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 121 23.880 -1.626 -1.028 1.00 0.00 H new ATOM 0 HG2 LYS A 121 24.276 0.465 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 121 23.724 -0.021 -3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 121 22.307 1.774 -2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 121 21.316 0.436 -2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 121 21.184 1.403 -0.321 1.00 0.00 H new ATOM 0 HE3 LYS A 121 22.904 1.140 -0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 22.331 3.463 0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 23.333 3.273 -1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 21.666 3.527 -1.393 1.00 0.00 H new