USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 490 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 1 GLY N :NH3+ -108:sc= 0.0959 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 174:sc= -1.27 USER MOD Single : A 14 SER OG : rot 99:sc= -0.198 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -2.3 USER MOD Single : A 24 SER OG : rot 87:sc= 0.00208 USER MOD Single : A 26 SER OG : rot 29:sc= -0.891 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -63:sc= 0.817 USER MOD Single : A 34 GLN : amide:sc= -1.17 K(o=-1.2,f=-7.1!) USER MOD Single : A 37 GLN : amide:sc= -0.0498 X(o=-0.05,f=-0.2) USER MOD Single : A 38 SER OG : rot 93:sc= 0.093 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0704 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00346 USER MOD Single : A 43 GLN : amide:sc= 1.12 K(o=1.1,f=-0.09) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0694 X(o=-0.069,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 84:sc= 0.879 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -41.554 -5.927 11.342 1.00 0.00 N ATOM 2 CA GLY A 1 -41.207 -5.787 9.900 1.00 0.00 C ATOM 3 C GLY A 1 -39.713 -5.476 9.760 1.00 0.00 C ATOM 4 O GLY A 1 -39.089 -5.012 10.693 1.00 0.00 O ATOM 0 H1 GLY A 1 -41.737 -6.927 11.559 1.00 0.00 H new ATOM 0 H2 GLY A 1 -40.763 -5.585 11.924 1.00 0.00 H new ATOM 0 H3 GLY A 1 -42.405 -5.366 11.550 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -41.449 -6.706 9.366 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -41.799 -4.991 9.449 1.00 0.00 H new ATOM 10 N PRO A 2 -39.185 -5.745 8.592 1.00 0.00 N ATOM 11 CA PRO A 2 -37.747 -5.488 8.334 1.00 0.00 C ATOM 12 C PRO A 2 -37.489 -3.985 8.199 1.00 0.00 C ATOM 13 O PRO A 2 -38.331 -3.240 7.738 1.00 0.00 O ATOM 14 CB PRO A 2 -37.486 -6.204 7.011 1.00 0.00 C ATOM 15 CG PRO A 2 -38.817 -6.265 6.334 1.00 0.00 C ATOM 16 CD PRO A 2 -39.865 -6.305 7.416 1.00 0.00 C ATOM 0 HA PRO A 2 -37.099 -5.837 9.138 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -36.760 -5.662 6.405 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -37.081 -7.202 7.176 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -38.961 -5.397 5.690 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -38.886 -7.148 5.699 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -40.742 -5.717 7.144 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -40.209 -7.323 7.601 1.00 0.00 H new ATOM 24 N MET A 3 -36.328 -3.535 8.596 1.00 0.00 N ATOM 25 CA MET A 3 -36.014 -2.080 8.490 1.00 0.00 C ATOM 26 C MET A 3 -35.599 -1.721 7.056 1.00 0.00 C ATOM 27 O MET A 3 -35.383 -0.568 6.741 1.00 0.00 O ATOM 28 CB MET A 3 -34.849 -1.854 9.455 1.00 0.00 C ATOM 29 CG MET A 3 -34.778 -0.374 9.833 1.00 0.00 C ATOM 30 SD MET A 3 -36.030 -0.011 11.090 1.00 0.00 S ATOM 31 CE MET A 3 -34.983 0.999 12.165 1.00 0.00 C ATOM 0 H MET A 3 -35.584 -4.112 8.989 1.00 0.00 H new ATOM 0 HA MET A 3 -36.875 -1.458 8.733 1.00 0.00 H new ATOM 0 HB2 MET A 3 -34.981 -2.463 10.350 1.00 0.00 H new ATOM 0 HB3 MET A 3 -33.913 -2.167 8.992 1.00 0.00 H new ATOM 0 HG2 MET A 3 -33.785 -0.132 10.213 1.00 0.00 H new ATOM 0 HG3 MET A 3 -34.942 0.246 8.951 1.00 0.00 H new ATOM 0 HE1 MET A 3 -35.563 1.338 13.024 1.00 0.00 H new ATOM 0 HE2 MET A 3 -34.136 0.406 12.510 1.00 0.00 H new ATOM 0 HE3 MET A 3 -34.618 1.863 11.610 1.00 0.00 H new ATOM 41 N SER A 4 -35.492 -2.701 6.189 1.00 0.00 N ATOM 42 CA SER A 4 -35.095 -2.433 4.769 1.00 0.00 C ATOM 43 C SER A 4 -33.647 -1.937 4.692 1.00 0.00 C ATOM 44 O SER A 4 -32.794 -2.582 4.113 1.00 0.00 O ATOM 45 CB SER A 4 -36.060 -1.356 4.264 1.00 0.00 C ATOM 46 OG SER A 4 -36.175 -1.454 2.850 1.00 0.00 O ATOM 0 H SER A 4 -35.664 -3.683 6.406 1.00 0.00 H new ATOM 0 HA SER A 4 -35.148 -3.338 4.163 1.00 0.00 H new ATOM 0 HB2 SER A 4 -37.038 -1.480 4.729 1.00 0.00 H new ATOM 0 HB3 SER A 4 -35.698 -0.367 4.543 1.00 0.00 H new ATOM 0 HG SER A 4 -36.793 -0.767 2.524 1.00 0.00 H new ATOM 52 N THR A 5 -33.362 -0.797 5.263 1.00 0.00 N ATOM 53 CA THR A 5 -31.968 -0.259 5.213 1.00 0.00 C ATOM 54 C THR A 5 -30.976 -1.273 5.790 1.00 0.00 C ATOM 55 O THR A 5 -29.843 -1.357 5.358 1.00 0.00 O ATOM 56 CB THR A 5 -31.999 1.009 6.068 1.00 0.00 C ATOM 57 OG1 THR A 5 -32.997 1.889 5.573 1.00 0.00 O ATOM 58 CG2 THR A 5 -30.635 1.698 6.011 1.00 0.00 C ATOM 0 H THR A 5 -34.033 -0.214 5.762 1.00 0.00 H new ATOM 0 HA THR A 5 -31.647 -0.056 4.192 1.00 0.00 H new ATOM 0 HB THR A 5 -32.228 0.745 7.101 1.00 0.00 H new ATOM 0 HG1 THR A 5 -33.019 2.701 6.121 1.00 0.00 H new ATOM 0 HG21 THR A 5 -30.658 2.601 6.620 1.00 0.00 H new ATOM 0 HG22 THR A 5 -29.870 1.022 6.393 1.00 0.00 H new ATOM 0 HG23 THR A 5 -30.404 1.962 4.979 1.00 0.00 H new ATOM 66 N THR A 6 -31.391 -2.044 6.759 1.00 0.00 N ATOM 67 CA THR A 6 -30.469 -3.055 7.360 1.00 0.00 C ATOM 68 C THR A 6 -29.874 -3.944 6.262 1.00 0.00 C ATOM 69 O THR A 6 -28.797 -4.490 6.410 1.00 0.00 O ATOM 70 CB THR A 6 -31.341 -3.882 8.307 1.00 0.00 C ATOM 71 OG1 THR A 6 -31.925 -3.024 9.277 1.00 0.00 O ATOM 72 CG2 THR A 6 -30.484 -4.938 9.008 1.00 0.00 C ATOM 0 H THR A 6 -32.328 -2.019 7.161 1.00 0.00 H new ATOM 0 HA THR A 6 -29.633 -2.590 7.883 1.00 0.00 H new ATOM 0 HB THR A 6 -32.126 -4.378 7.737 1.00 0.00 H new ATOM 0 HG1 THR A 6 -32.559 -3.533 9.824 1.00 0.00 H new ATOM 0 HG21 THR A 6 -31.109 -5.525 9.682 1.00 0.00 H new ATOM 0 HG22 THR A 6 -30.036 -5.596 8.263 1.00 0.00 H new ATOM 0 HG23 THR A 6 -29.696 -4.447 9.579 1.00 0.00 H new ATOM 80 N GLU A 7 -30.567 -4.093 5.165 1.00 0.00 N ATOM 81 CA GLU A 7 -30.044 -4.948 4.060 1.00 0.00 C ATOM 82 C GLU A 7 -28.880 -4.245 3.356 1.00 0.00 C ATOM 83 O GLU A 7 -27.806 -4.798 3.209 1.00 0.00 O ATOM 84 CB GLU A 7 -31.224 -5.122 3.101 1.00 0.00 C ATOM 85 CG GLU A 7 -30.917 -6.247 2.112 1.00 0.00 C ATOM 86 CD GLU A 7 -32.227 -6.823 1.572 1.00 0.00 C ATOM 87 OE1 GLU A 7 -32.750 -7.735 2.191 1.00 0.00 O ATOM 88 OE2 GLU A 7 -32.685 -6.343 0.548 1.00 0.00 O ATOM 0 H GLU A 7 -31.473 -3.660 4.986 1.00 0.00 H new ATOM 0 HA GLU A 7 -29.667 -5.905 4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -32.130 -5.353 3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -31.410 -4.192 2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -30.308 -5.868 1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -30.338 -7.029 2.603 1.00 0.00 H new ATOM 95 N VAL A 8 -29.084 -3.029 2.924 1.00 0.00 N ATOM 96 CA VAL A 8 -27.988 -2.289 2.235 1.00 0.00 C ATOM 97 C VAL A 8 -26.871 -1.956 3.228 1.00 0.00 C ATOM 98 O VAL A 8 -25.726 -1.789 2.856 1.00 0.00 O ATOM 99 CB VAL A 8 -28.637 -1.008 1.698 1.00 0.00 C ATOM 100 CG1 VAL A 8 -29.761 -1.375 0.729 1.00 0.00 C ATOM 101 CG2 VAL A 8 -29.215 -0.192 2.859 1.00 0.00 C ATOM 0 H VAL A 8 -29.961 -2.517 3.018 1.00 0.00 H new ATOM 0 HA VAL A 8 -27.537 -2.875 1.435 1.00 0.00 H new ATOM 0 HB VAL A 8 -27.884 -0.414 1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -30.223 -0.465 0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -29.352 -1.951 -0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -30.510 -1.971 1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -29.675 0.717 2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -29.966 -0.784 3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -28.416 0.073 3.551 1.00 0.00 H new ATOM 111 N ARG A 9 -27.197 -1.861 4.490 1.00 0.00 N ATOM 112 CA ARG A 9 -26.156 -1.541 5.509 1.00 0.00 C ATOM 113 C ARG A 9 -25.155 -2.693 5.618 1.00 0.00 C ATOM 114 O ARG A 9 -23.958 -2.499 5.542 1.00 0.00 O ATOM 115 CB ARG A 9 -26.924 -1.374 6.821 1.00 0.00 C ATOM 116 CG ARG A 9 -26.266 -0.281 7.665 1.00 0.00 C ATOM 117 CD ARG A 9 -26.418 -0.622 9.148 1.00 0.00 C ATOM 118 NE ARG A 9 -25.393 0.206 9.841 1.00 0.00 N ATOM 119 CZ ARG A 9 -24.206 -0.284 10.074 1.00 0.00 C ATOM 120 NH1 ARG A 9 -24.055 -1.236 10.953 1.00 0.00 N ATOM 121 NH2 ARG A 9 -23.171 0.178 9.428 1.00 0.00 N ATOM 0 H ARG A 9 -28.139 -1.991 4.859 1.00 0.00 H new ATOM 0 HA ARG A 9 -25.587 -0.647 5.253 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -27.962 -1.113 6.616 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -26.934 -2.315 7.371 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -25.211 -0.193 7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -26.727 0.684 7.454 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -27.421 -0.389 9.506 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -26.254 -1.685 9.327 1.00 0.00 H new ATOM 0 HE ARG A 9 -25.619 1.157 10.134 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -24.864 -1.597 11.458 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -23.128 -1.619 11.135 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -23.289 0.922 8.741 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -22.243 -0.205 9.610 1.00 0.00 H new ATOM 135 N GLU A 10 -25.639 -3.895 5.791 1.00 0.00 N ATOM 136 CA GLU A 10 -24.717 -5.064 5.899 1.00 0.00 C ATOM 137 C GLU A 10 -23.906 -5.212 4.609 1.00 0.00 C ATOM 138 O GLU A 10 -22.716 -5.461 4.638 1.00 0.00 O ATOM 139 CB GLU A 10 -25.629 -6.274 6.103 1.00 0.00 C ATOM 140 CG GLU A 10 -25.882 -6.477 7.599 1.00 0.00 C ATOM 141 CD GLU A 10 -24.877 -7.489 8.154 1.00 0.00 C ATOM 142 OE1 GLU A 10 -23.701 -7.351 7.857 1.00 0.00 O ATOM 143 OE2 GLU A 10 -25.300 -8.384 8.866 1.00 0.00 O ATOM 0 H GLU A 10 -26.632 -4.118 5.862 1.00 0.00 H new ATOM 0 HA GLU A 10 -24.003 -4.954 6.715 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -26.574 -6.123 5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -25.169 -7.166 5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -25.788 -5.528 8.127 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -26.900 -6.832 7.762 1.00 0.00 H new ATOM 150 N ARG A 11 -24.542 -5.059 3.478 1.00 0.00 N ATOM 151 CA ARG A 11 -23.807 -5.189 2.185 1.00 0.00 C ATOM 152 C ARG A 11 -22.735 -4.100 2.078 1.00 0.00 C ATOM 153 O ARG A 11 -21.681 -4.309 1.512 1.00 0.00 O ATOM 154 CB ARG A 11 -24.871 -5.005 1.101 1.00 0.00 C ATOM 155 CG ARG A 11 -25.459 -6.366 0.727 1.00 0.00 C ATOM 156 CD ARG A 11 -26.575 -6.177 -0.302 1.00 0.00 C ATOM 157 NE ARG A 11 -25.904 -5.588 -1.493 1.00 0.00 N ATOM 158 CZ ARG A 11 -26.415 -4.540 -2.080 1.00 0.00 C ATOM 159 NH1 ARG A 11 -27.499 -4.658 -2.796 1.00 0.00 N ATOM 160 NH2 ARG A 11 -25.843 -3.375 -1.948 1.00 0.00 N ATOM 0 H ARG A 11 -25.537 -4.850 3.393 1.00 0.00 H new ATOM 0 HA ARG A 11 -23.297 -6.148 2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -25.659 -4.342 1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -24.432 -4.533 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -24.680 -7.010 0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -25.850 -6.861 1.616 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -27.051 -7.126 -0.547 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -27.355 -5.517 0.078 1.00 0.00 H new ATOM 0 HE ARG A 11 -25.044 -6.004 -1.851 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -27.947 -5.569 -2.897 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -27.899 -3.839 -3.255 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -24.997 -3.283 -1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -26.242 -2.556 -2.407 1.00 0.00 H new ATOM 174 N ARG A 12 -22.998 -2.940 2.620 1.00 0.00 N ATOM 175 CA ARG A 12 -21.994 -1.837 2.552 1.00 0.00 C ATOM 176 C ARG A 12 -20.798 -2.159 3.450 1.00 0.00 C ATOM 177 O ARG A 12 -19.685 -1.750 3.185 1.00 0.00 O ATOM 178 CB ARG A 12 -22.727 -0.595 3.059 1.00 0.00 C ATOM 179 CG ARG A 12 -22.228 0.640 2.304 1.00 0.00 C ATOM 180 CD ARG A 12 -23.420 1.504 1.885 1.00 0.00 C ATOM 181 NE ARG A 12 -24.205 0.650 0.949 1.00 0.00 N ATOM 182 CZ ARG A 12 -25.315 1.100 0.432 1.00 0.00 C ATOM 183 NH1 ARG A 12 -26.178 1.727 1.182 1.00 0.00 N ATOM 184 NH2 ARG A 12 -25.563 0.920 -0.837 1.00 0.00 N ATOM 0 H ARG A 12 -23.864 -2.709 3.107 1.00 0.00 H new ATOM 0 HA ARG A 12 -21.607 -1.694 1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -23.801 -0.711 2.917 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -22.559 -0.472 4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -21.553 1.217 2.936 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -21.660 0.336 1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -24.018 1.797 2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -23.090 2.422 1.399 1.00 0.00 H new ATOM 0 HE ARG A 12 -23.875 -0.286 0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -25.985 1.866 2.174 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -27.046 2.078 0.777 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -24.889 0.428 -1.424 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -26.431 1.272 -1.242 1.00 0.00 H new ATOM 198 N ARG A 13 -21.020 -2.890 4.511 1.00 0.00 N ATOM 199 CA ARG A 13 -19.895 -3.240 5.428 1.00 0.00 C ATOM 200 C ARG A 13 -19.016 -4.323 4.795 1.00 0.00 C ATOM 201 O ARG A 13 -17.820 -4.367 5.007 1.00 0.00 O ATOM 202 CB ARG A 13 -20.566 -3.769 6.697 1.00 0.00 C ATOM 203 CG ARG A 13 -19.555 -3.776 7.845 1.00 0.00 C ATOM 204 CD ARG A 13 -19.910 -4.892 8.830 1.00 0.00 C ATOM 205 NE ARG A 13 -21.208 -4.476 9.430 1.00 0.00 N ATOM 206 CZ ARG A 13 -21.414 -4.629 10.711 1.00 0.00 C ATOM 207 NH1 ARG A 13 -20.683 -3.975 11.572 1.00 0.00 N ATOM 208 NH2 ARG A 13 -22.350 -5.435 11.129 1.00 0.00 N ATOM 0 H ARG A 13 -21.931 -3.260 4.782 1.00 0.00 H new ATOM 0 HA ARG A 13 -19.250 -2.386 5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -21.421 -3.145 6.956 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -20.946 -4.776 6.527 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -18.548 -3.926 7.456 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -19.560 -2.812 8.354 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -19.999 -5.853 8.323 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -19.140 -5.005 9.593 1.00 0.00 H new ATOM 0 HE ARG A 13 -21.936 -4.072 8.841 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -19.951 -3.345 11.245 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -20.844 -4.094 12.572 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -22.921 -5.946 10.456 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -22.511 -5.555 12.129 1.00 0.00 H new ATOM 222 N SER A 14 -19.601 -5.195 4.020 1.00 0.00 N ATOM 223 CA SER A 14 -18.806 -6.279 3.367 1.00 0.00 C ATOM 224 C SER A 14 -17.707 -5.681 2.485 1.00 0.00 C ATOM 225 O SER A 14 -16.669 -6.281 2.288 1.00 0.00 O ATOM 226 CB SER A 14 -19.797 -7.072 2.514 1.00 0.00 C ATOM 227 OG SER A 14 -21.118 -6.584 2.726 1.00 0.00 O ATOM 0 H SER A 14 -20.599 -5.205 3.809 1.00 0.00 H new ATOM 0 HA SER A 14 -18.316 -6.913 4.106 1.00 0.00 H new ATOM 0 HB2 SER A 14 -19.533 -6.986 1.460 1.00 0.00 H new ATOM 0 HB3 SER A 14 -19.745 -8.130 2.770 1.00 0.00 H new ATOM 0 HG SER A 14 -21.359 -5.968 2.003 1.00 0.00 H new ATOM 233 N TYR A 15 -17.933 -4.508 1.942 1.00 0.00 N ATOM 234 CA TYR A 15 -16.905 -3.867 1.057 1.00 0.00 C ATOM 235 C TYR A 15 -15.494 -4.040 1.641 1.00 0.00 C ATOM 236 O TYR A 15 -14.517 -4.085 0.919 1.00 0.00 O ATOM 237 CB TYR A 15 -17.309 -2.385 0.984 1.00 0.00 C ATOM 238 CG TYR A 15 -16.630 -1.588 2.078 1.00 0.00 C ATOM 239 CD1 TYR A 15 -16.959 -1.815 3.420 1.00 0.00 C ATOM 240 CD2 TYR A 15 -15.674 -0.620 1.746 1.00 0.00 C ATOM 241 CE1 TYR A 15 -16.331 -1.076 4.430 1.00 0.00 C ATOM 242 CE2 TYR A 15 -15.046 0.119 2.757 1.00 0.00 C ATOM 243 CZ TYR A 15 -15.375 -0.109 4.098 1.00 0.00 C ATOM 244 OH TYR A 15 -14.756 0.620 5.093 1.00 0.00 O ATOM 0 H TYR A 15 -18.786 -3.965 2.073 1.00 0.00 H new ATOM 0 HA TYR A 15 -16.873 -4.322 0.067 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -17.039 -1.977 0.010 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -18.391 -2.293 1.079 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -17.697 -2.560 3.676 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -15.421 -0.443 0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -16.584 -1.252 5.465 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -14.308 0.865 2.501 1.00 0.00 H new ATOM 0 HH TYR A 15 -14.119 1.247 4.691 1.00 0.00 H new ATOM 254 N LEU A 16 -15.386 -4.151 2.938 1.00 0.00 N ATOM 255 CA LEU A 16 -14.047 -4.336 3.563 1.00 0.00 C ATOM 256 C LEU A 16 -14.148 -5.295 4.742 1.00 0.00 C ATOM 257 O LEU A 16 -13.508 -5.116 5.759 1.00 0.00 O ATOM 258 CB LEU A 16 -13.619 -2.949 4.032 1.00 0.00 C ATOM 259 CG LEU A 16 -12.148 -2.982 4.466 1.00 0.00 C ATOM 260 CD1 LEU A 16 -11.271 -3.431 3.295 1.00 0.00 C ATOM 261 CD2 LEU A 16 -11.719 -1.585 4.917 1.00 0.00 C ATOM 0 H LEU A 16 -16.169 -4.121 3.591 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.325 -4.762 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.755 -2.225 3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.246 -2.626 4.863 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.033 -3.685 5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.228 -3.452 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.574 -4.428 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.386 -2.733 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.674 -1.607 5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.839 -0.883 4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.338 -1.267 5.756 1.00 0.00 H new ATOM 273 N THR A 17 -14.940 -6.322 4.613 1.00 0.00 N ATOM 274 CA THR A 17 -15.066 -7.299 5.731 1.00 0.00 C ATOM 275 C THR A 17 -13.673 -7.803 6.138 1.00 0.00 C ATOM 276 O THR A 17 -13.348 -7.832 7.308 1.00 0.00 O ATOM 277 CB THR A 17 -15.929 -8.450 5.194 1.00 0.00 C ATOM 278 OG1 THR A 17 -16.437 -8.116 3.909 1.00 0.00 O ATOM 279 CG2 THR A 17 -17.094 -8.708 6.150 1.00 0.00 C ATOM 0 H THR A 17 -15.503 -6.527 3.787 1.00 0.00 H new ATOM 0 HA THR A 17 -15.521 -6.852 6.615 1.00 0.00 H new ATOM 0 HB THR A 17 -15.316 -9.348 5.116 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.985 -8.855 3.572 1.00 0.00 H new ATOM 0 HG21 THR A 17 -17.705 -9.525 5.767 1.00 0.00 H new ATOM 0 HG22 THR A 17 -16.706 -8.975 7.133 1.00 0.00 H new ATOM 0 HG23 THR A 17 -17.703 -7.808 6.233 1.00 0.00 H new ATOM 287 N PRO A 18 -12.884 -8.168 5.154 1.00 0.00 N ATOM 288 CA PRO A 18 -11.519 -8.649 5.414 1.00 0.00 C ATOM 289 C PRO A 18 -10.554 -7.469 5.361 1.00 0.00 C ATOM 290 O PRO A 18 -10.084 -7.087 4.306 1.00 0.00 O ATOM 291 CB PRO A 18 -11.263 -9.607 4.258 1.00 0.00 C ATOM 292 CG PRO A 18 -12.169 -9.153 3.145 1.00 0.00 C ATOM 293 CD PRO A 18 -13.173 -8.177 3.720 1.00 0.00 C ATOM 0 HA PRO A 18 -11.391 -9.122 6.388 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.218 -9.578 3.949 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.481 -10.635 4.546 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.590 -8.679 2.353 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.681 -10.006 2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -13.058 -7.184 3.284 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -14.196 -8.495 3.522 1.00 0.00 H new ATOM 301 N VAL A 19 -10.265 -6.877 6.484 1.00 0.00 N ATOM 302 CA VAL A 19 -9.343 -5.707 6.486 1.00 0.00 C ATOM 303 C VAL A 19 -7.904 -6.148 6.220 1.00 0.00 C ATOM 304 O VAL A 19 -7.018 -5.335 6.039 1.00 0.00 O ATOM 305 CB VAL A 19 -9.471 -5.098 7.880 1.00 0.00 C ATOM 306 CG1 VAL A 19 -8.584 -3.855 7.982 1.00 0.00 C ATOM 307 CG2 VAL A 19 -10.928 -4.704 8.138 1.00 0.00 C ATOM 0 H VAL A 19 -10.625 -7.150 7.398 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.596 -4.991 5.704 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.156 -5.832 8.622 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.677 -3.422 8.978 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.545 -4.133 7.803 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.897 -3.123 7.238 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.017 -4.270 9.134 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.245 -3.973 7.394 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.562 -5.588 8.070 1.00 0.00 H new ATOM 317 N ARG A 20 -7.674 -7.426 6.189 1.00 0.00 N ATOM 318 CA ARG A 20 -6.296 -7.950 5.927 1.00 0.00 C ATOM 319 C ARG A 20 -5.668 -7.237 4.722 1.00 0.00 C ATOM 320 O ARG A 20 -4.464 -7.100 4.632 1.00 0.00 O ATOM 321 CB ARG A 20 -6.490 -9.436 5.623 1.00 0.00 C ATOM 322 CG ARG A 20 -7.604 -9.607 4.586 1.00 0.00 C ATOM 323 CD ARG A 20 -7.451 -10.959 3.885 1.00 0.00 C ATOM 324 NE ARG A 20 -6.530 -10.697 2.744 1.00 0.00 N ATOM 325 CZ ARG A 20 -5.617 -11.575 2.427 1.00 0.00 C ATOM 326 NH1 ARG A 20 -4.755 -11.973 3.323 1.00 0.00 N ATOM 327 NH2 ARG A 20 -5.567 -12.055 1.215 1.00 0.00 N ATOM 0 H ARG A 20 -8.385 -8.143 6.335 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.629 -7.786 6.773 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.561 -9.865 5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.744 -9.974 6.536 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.578 -9.546 5.071 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.561 -8.800 3.855 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.040 -11.710 4.560 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.413 -11.335 3.538 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.613 -9.832 2.210 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.795 -11.598 4.271 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.042 -12.659 3.075 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.241 -11.744 0.515 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.854 -12.741 0.967 1.00 0.00 H new ATOM 341 N ASP A 21 -6.475 -6.777 3.801 1.00 0.00 N ATOM 342 CA ASP A 21 -5.920 -6.067 2.613 1.00 0.00 C ATOM 343 C ASP A 21 -5.371 -4.716 3.042 1.00 0.00 C ATOM 344 O ASP A 21 -4.331 -4.272 2.593 1.00 0.00 O ATOM 345 CB ASP A 21 -7.099 -5.897 1.654 1.00 0.00 C ATOM 346 CG ASP A 21 -6.588 -5.410 0.297 1.00 0.00 C ATOM 347 OD1 ASP A 21 -5.785 -6.110 -0.296 1.00 0.00 O ATOM 348 OD2 ASP A 21 -7.010 -4.346 -0.125 1.00 0.00 O ATOM 0 H ASP A 21 -7.491 -6.863 3.821 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.104 -6.614 2.141 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.626 -6.844 1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.814 -5.183 2.063 1.00 0.00 H new ATOM 353 N GLU A 22 -6.067 -4.074 3.922 1.00 0.00 N ATOM 354 CA GLU A 22 -5.617 -2.753 4.425 1.00 0.00 C ATOM 355 C GLU A 22 -4.310 -2.924 5.199 1.00 0.00 C ATOM 356 O GLU A 22 -3.400 -2.124 5.094 1.00 0.00 O ATOM 357 CB GLU A 22 -6.734 -2.272 5.353 1.00 0.00 C ATOM 358 CG GLU A 22 -6.826 -0.747 5.294 1.00 0.00 C ATOM 359 CD GLU A 22 -5.974 -0.140 6.411 1.00 0.00 C ATOM 360 OE1 GLU A 22 -6.256 -0.422 7.563 1.00 0.00 O ATOM 361 OE2 GLU A 22 -5.056 0.597 6.093 1.00 0.00 O ATOM 0 H GLU A 22 -6.943 -4.410 4.323 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.432 -2.039 3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.684 -2.716 5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.537 -2.596 6.375 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.482 -0.389 4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.864 -0.430 5.401 1.00 0.00 H new ATOM 368 N GLU A 23 -4.211 -3.977 5.966 1.00 0.00 N ATOM 369 CA GLU A 23 -2.962 -4.221 6.743 1.00 0.00 C ATOM 370 C GLU A 23 -1.824 -4.577 5.786 1.00 0.00 C ATOM 371 O GLU A 23 -0.671 -4.287 6.039 1.00 0.00 O ATOM 372 CB GLU A 23 -3.286 -5.400 7.663 1.00 0.00 C ATOM 373 CG GLU A 23 -2.720 -5.132 9.059 1.00 0.00 C ATOM 374 CD GLU A 23 -3.714 -4.293 9.862 1.00 0.00 C ATOM 375 OE1 GLU A 23 -4.844 -4.728 10.007 1.00 0.00 O ATOM 376 OE2 GLU A 23 -3.328 -3.228 10.318 1.00 0.00 O ATOM 0 H GLU A 23 -4.941 -4.678 6.088 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.644 -3.347 7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.365 -5.545 7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.861 -6.318 7.257 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.527 -6.074 9.571 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.766 -4.610 8.982 1.00 0.00 H new ATOM 383 N SER A 24 -2.143 -5.203 4.683 1.00 0.00 N ATOM 384 CA SER A 24 -1.084 -5.578 3.701 1.00 0.00 C ATOM 385 C SER A 24 -0.406 -4.318 3.159 1.00 0.00 C ATOM 386 O SER A 24 0.804 -4.203 3.163 1.00 0.00 O ATOM 387 CB SER A 24 -1.820 -6.314 2.582 1.00 0.00 C ATOM 388 OG SER A 24 -1.818 -7.708 2.856 1.00 0.00 O ATOM 0 H SER A 24 -3.092 -5.471 4.420 1.00 0.00 H new ATOM 0 HA SER A 24 -0.305 -6.196 4.147 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.844 -5.949 2.503 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.337 -6.119 1.624 1.00 0.00 H new ATOM 0 HG SER A 24 -2.581 -7.930 3.429 1.00 0.00 H new ATOM 394 N GLU A 25 -1.178 -3.369 2.698 1.00 0.00 N ATOM 395 CA GLU A 25 -0.578 -2.112 2.161 1.00 0.00 C ATOM 396 C GLU A 25 0.265 -1.432 3.243 1.00 0.00 C ATOM 397 O GLU A 25 1.397 -1.048 3.015 1.00 0.00 O ATOM 398 CB GLU A 25 -1.767 -1.232 1.775 1.00 0.00 C ATOM 399 CG GLU A 25 -1.347 -0.260 0.670 1.00 0.00 C ATOM 400 CD GLU A 25 -0.911 1.067 1.294 1.00 0.00 C ATOM 401 OE1 GLU A 25 0.124 1.084 1.939 1.00 0.00 O ATOM 402 OE2 GLU A 25 -1.620 2.043 1.117 1.00 0.00 O ATOM 0 H GLU A 25 -2.197 -3.410 2.670 1.00 0.00 H new ATOM 0 HA GLU A 25 0.079 -2.298 1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.596 -1.852 1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.121 -0.679 2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.530 -0.686 0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.176 -0.095 -0.018 1.00 0.00 H new ATOM 409 N SER A 26 -0.276 -1.289 4.424 1.00 0.00 N ATOM 410 CA SER A 26 0.497 -0.643 5.526 1.00 0.00 C ATOM 411 C SER A 26 1.722 -1.494 5.865 1.00 0.00 C ATOM 412 O SER A 26 2.776 -0.982 6.191 1.00 0.00 O ATOM 413 CB SER A 26 -0.465 -0.588 6.712 1.00 0.00 C ATOM 414 OG SER A 26 -1.143 -1.832 6.825 1.00 0.00 O ATOM 0 H SER A 26 -1.218 -1.591 4.673 1.00 0.00 H new ATOM 0 HA SER A 26 0.858 0.349 5.256 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.083 -0.375 7.630 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.184 0.220 6.575 1.00 0.00 H new ATOM 0 HG SER A 26 -0.570 -2.549 6.482 1.00 0.00 H new ATOM 420 N GLN A 27 1.591 -2.791 5.785 1.00 0.00 N ATOM 421 CA GLN A 27 2.747 -3.683 6.095 1.00 0.00 C ATOM 422 C GLN A 27 3.808 -3.561 5.001 1.00 0.00 C ATOM 423 O GLN A 27 4.995 -3.575 5.268 1.00 0.00 O ATOM 424 CB GLN A 27 2.164 -5.097 6.124 1.00 0.00 C ATOM 425 CG GLN A 27 1.674 -5.420 7.538 1.00 0.00 C ATOM 426 CD GLN A 27 2.797 -6.098 8.324 1.00 0.00 C ATOM 427 OE1 GLN A 27 2.910 -7.308 8.324 1.00 0.00 O ATOM 428 NE2 GLN A 27 3.637 -5.364 9.000 1.00 0.00 N ATOM 0 H GLN A 27 0.732 -3.272 5.518 1.00 0.00 H new ATOM 0 HA GLN A 27 3.229 -3.425 7.038 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.340 -5.176 5.415 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.920 -5.820 5.816 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.362 -4.506 8.044 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.802 -6.073 7.492 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.542 -4.348 9.000 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.389 -5.806 9.529 1.00 0.00 H new ATOM 437 N ARG A 28 3.390 -3.439 3.769 1.00 0.00 N ATOM 438 CA ARG A 28 4.374 -3.311 2.652 1.00 0.00 C ATOM 439 C ARG A 28 5.267 -2.089 2.878 1.00 0.00 C ATOM 440 O ARG A 28 6.473 -2.159 2.758 1.00 0.00 O ATOM 441 CB ARG A 28 3.528 -3.134 1.388 1.00 0.00 C ATOM 442 CG ARG A 28 3.614 -4.399 0.531 1.00 0.00 C ATOM 443 CD ARG A 28 2.875 -5.545 1.230 1.00 0.00 C ATOM 444 NE ARG A 28 1.675 -5.800 0.388 1.00 0.00 N ATOM 445 CZ ARG A 28 1.719 -6.699 -0.558 1.00 0.00 C ATOM 446 NH1 ARG A 28 2.242 -6.402 -1.716 1.00 0.00 N ATOM 447 NH2 ARG A 28 1.242 -7.894 -0.346 1.00 0.00 N ATOM 0 H ARG A 28 2.410 -3.422 3.487 1.00 0.00 H new ATOM 0 HA ARG A 28 5.031 -4.178 2.579 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.491 -2.935 1.657 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.881 -2.273 0.820 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.177 -4.216 -0.450 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.657 -4.671 0.369 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.503 -6.433 1.302 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.593 -5.271 2.246 1.00 0.00 H new ATOM 0 HE ARG A 28 0.817 -5.272 0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.616 -5.468 -1.882 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.277 -7.104 -2.455 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.834 -8.127 0.559 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.277 -8.596 -1.086 1.00 0.00 H new ATOM 461 N LYS A 29 4.680 -0.969 3.208 1.00 0.00 N ATOM 462 CA LYS A 29 5.494 0.257 3.448 1.00 0.00 C ATOM 463 C LYS A 29 6.448 0.031 4.624 1.00 0.00 C ATOM 464 O LYS A 29 7.610 0.387 4.573 1.00 0.00 O ATOM 465 CB LYS A 29 4.480 1.353 3.783 1.00 0.00 C ATOM 466 CG LYS A 29 3.882 1.906 2.489 1.00 0.00 C ATOM 467 CD LYS A 29 3.577 3.395 2.663 1.00 0.00 C ATOM 468 CE LYS A 29 2.173 3.565 3.246 1.00 0.00 C ATOM 469 NZ LYS A 29 1.785 4.963 2.911 1.00 0.00 N ATOM 0 H LYS A 29 3.673 -0.851 3.321 1.00 0.00 H new ATOM 0 HA LYS A 29 6.105 0.522 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.691 0.951 4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.964 2.153 4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.578 1.761 1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.970 1.364 2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.314 3.853 3.323 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.648 3.906 1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.476 2.847 2.813 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.170 3.402 4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.831 5.156 3.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.463 5.624 3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.790 5.087 1.878 1.00 0.00 H new ATOM 483 N ALA A 30 5.965 -0.564 5.683 1.00 0.00 N ATOM 484 CA ALA A 30 6.841 -0.820 6.863 1.00 0.00 C ATOM 485 C ALA A 30 7.896 -1.875 6.519 1.00 0.00 C ATOM 486 O ALA A 30 9.044 -1.768 6.905 1.00 0.00 O ATOM 487 CB ALA A 30 5.902 -1.337 7.953 1.00 0.00 C ATOM 0 H ALA A 30 5.001 -0.884 5.781 1.00 0.00 H new ATOM 0 HA ALA A 30 7.377 0.075 7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.474 -1.549 8.856 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.147 -0.582 8.171 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.414 -2.250 7.610 1.00 0.00 H new ATOM 493 N ARG A 31 7.515 -2.894 5.793 1.00 0.00 N ATOM 494 CA ARG A 31 8.497 -3.956 5.421 1.00 0.00 C ATOM 495 C ARG A 31 9.633 -3.355 4.589 1.00 0.00 C ATOM 496 O ARG A 31 10.793 -3.651 4.799 1.00 0.00 O ATOM 497 CB ARG A 31 7.701 -4.965 4.589 1.00 0.00 C ATOM 498 CG ARG A 31 7.410 -6.211 5.431 1.00 0.00 C ATOM 499 CD ARG A 31 7.540 -7.460 4.556 1.00 0.00 C ATOM 500 NE ARG A 31 7.031 -8.575 5.401 1.00 0.00 N ATOM 501 CZ ARG A 31 6.501 -9.629 4.841 1.00 0.00 C ATOM 502 NH1 ARG A 31 5.384 -9.522 4.176 1.00 0.00 N ATOM 503 NH2 ARG A 31 7.089 -10.789 4.947 1.00 0.00 N ATOM 0 H ARG A 31 6.568 -3.037 5.442 1.00 0.00 H new ATOM 0 HA ARG A 31 8.952 -4.420 6.296 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.767 -4.516 4.251 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.264 -5.240 3.697 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.105 -6.267 6.269 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.406 -6.152 5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.959 -7.362 3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.575 -7.629 4.260 1.00 0.00 H new ATOM 0 HE ARG A 31 7.096 -8.516 6.417 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.925 -8.615 4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.970 -10.345 3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.962 -10.872 5.467 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.675 -11.612 4.510 1.00 0.00 H new ATOM 517 N SER A 32 9.306 -2.512 3.646 1.00 0.00 N ATOM 518 CA SER A 32 10.364 -1.888 2.799 1.00 0.00 C ATOM 519 C SER A 32 11.330 -1.079 3.670 1.00 0.00 C ATOM 520 O SER A 32 12.533 -1.176 3.533 1.00 0.00 O ATOM 521 CB SER A 32 9.611 -0.970 1.837 1.00 0.00 C ATOM 522 OG SER A 32 9.084 0.136 2.559 1.00 0.00 O ATOM 0 H SER A 32 8.351 -2.228 3.426 1.00 0.00 H new ATOM 0 HA SER A 32 10.961 -2.631 2.269 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.280 -0.620 1.051 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.805 -1.518 1.349 1.00 0.00 H new ATOM 0 HG SER A 32 8.437 -0.184 3.222 1.00 0.00 H new ATOM 528 N ARG A 33 10.810 -0.284 4.567 1.00 0.00 N ATOM 529 CA ARG A 33 11.697 0.529 5.451 1.00 0.00 C ATOM 530 C ARG A 33 12.588 -0.389 6.291 1.00 0.00 C ATOM 531 O ARG A 33 13.785 -0.195 6.384 1.00 0.00 O ATOM 532 CB ARG A 33 10.747 1.324 6.348 1.00 0.00 C ATOM 533 CG ARG A 33 10.506 2.707 5.739 1.00 0.00 C ATOM 534 CD ARG A 33 9.205 3.290 6.297 1.00 0.00 C ATOM 535 NE ARG A 33 8.939 4.496 5.464 1.00 0.00 N ATOM 536 CZ ARG A 33 7.713 4.900 5.275 1.00 0.00 C ATOM 537 NH1 ARG A 33 6.795 4.050 4.905 1.00 0.00 N ATOM 538 NH2 ARG A 33 7.405 6.155 5.457 1.00 0.00 N ATOM 0 H ARG A 33 9.810 -0.162 4.726 1.00 0.00 H new ATOM 0 HA ARG A 33 12.359 1.182 4.883 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.801 0.793 6.455 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.172 1.424 7.347 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.342 3.368 5.969 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.448 2.633 4.653 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.388 2.572 6.226 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.309 3.552 7.350 1.00 0.00 H new ATOM 0 HE ARG A 33 9.715 5.006 5.042 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.036 3.069 4.763 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.837 4.366 4.757 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.123 6.819 5.747 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.447 6.472 5.309 1.00 0.00 H new ATOM 552 N GLN A 34 12.012 -1.391 6.901 1.00 0.00 N ATOM 553 CA GLN A 34 12.824 -2.327 7.733 1.00 0.00 C ATOM 554 C GLN A 34 13.855 -3.045 6.859 1.00 0.00 C ATOM 555 O GLN A 34 14.942 -3.363 7.300 1.00 0.00 O ATOM 556 CB GLN A 34 11.818 -3.325 8.309 1.00 0.00 C ATOM 557 CG GLN A 34 11.495 -2.950 9.757 1.00 0.00 C ATOM 558 CD GLN A 34 10.309 -1.985 9.782 1.00 0.00 C ATOM 559 OE1 GLN A 34 10.246 -1.062 8.995 1.00 0.00 O ATOM 560 NE2 GLN A 34 9.360 -2.159 10.661 1.00 0.00 N ATOM 0 H GLN A 34 11.015 -1.602 6.859 1.00 0.00 H new ATOM 0 HA GLN A 34 13.376 -1.810 8.519 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.907 -3.325 7.711 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.227 -4.335 8.267 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.261 -3.846 10.332 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.363 -2.488 10.226 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.413 -2.934 11.322 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.565 -1.520 10.687 1.00 0.00 H new ATOM 569 N ALA A 35 13.522 -3.298 5.622 1.00 0.00 N ATOM 570 CA ALA A 35 14.483 -3.994 4.715 1.00 0.00 C ATOM 571 C ALA A 35 15.749 -3.151 4.548 1.00 0.00 C ATOM 572 O ALA A 35 16.854 -3.652 4.617 1.00 0.00 O ATOM 573 CB ALA A 35 13.747 -4.127 3.381 1.00 0.00 C ATOM 0 H ALA A 35 12.627 -3.053 5.199 1.00 0.00 H new ATOM 0 HA ALA A 35 14.793 -4.963 5.105 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.390 -4.630 2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.837 -4.709 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.489 -3.136 3.008 1.00 0.00 H new ATOM 579 N ARG A 36 15.595 -1.870 4.334 1.00 0.00 N ATOM 580 CA ARG A 36 16.789 -0.990 4.168 1.00 0.00 C ATOM 581 C ARG A 36 17.632 -1.003 5.446 1.00 0.00 C ATOM 582 O ARG A 36 18.817 -1.274 5.417 1.00 0.00 O ATOM 583 CB ARG A 36 16.223 0.407 3.912 1.00 0.00 C ATOM 584 CG ARG A 36 16.070 0.630 2.406 1.00 0.00 C ATOM 585 CD ARG A 36 15.409 1.986 2.153 1.00 0.00 C ATOM 586 NE ARG A 36 16.165 2.576 1.014 1.00 0.00 N ATOM 587 CZ ARG A 36 15.594 3.457 0.239 1.00 0.00 C ATOM 588 NH1 ARG A 36 15.076 4.539 0.751 1.00 0.00 N ATOM 589 NH2 ARG A 36 15.543 3.257 -1.050 1.00 0.00 N ATOM 0 H ARG A 36 14.694 -1.396 4.267 1.00 0.00 H new ATOM 0 HA ARG A 36 17.436 -1.320 3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 36 15.257 0.515 4.406 1.00 0.00 H new ATOM 0 HB3 ARG A 36 16.885 1.162 4.336 1.00 0.00 H new ATOM 0 HG2 ARG A 36 17.046 0.594 1.922 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.468 -0.167 1.969 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.353 1.871 1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.464 2.623 3.036 1.00 0.00 H new ATOM 0 HE ARG A 36 17.129 2.292 0.840 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.117 4.697 1.758 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.630 5.227 0.145 1.00 0.00 H new ATOM 0 HH21 ARG A 36 15.949 2.412 -1.451 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.097 3.946 -1.656 1.00 0.00 H new ATOM 603 N GLN A 37 17.026 -0.713 6.568 1.00 0.00 N ATOM 604 CA GLN A 37 17.789 -0.711 7.851 1.00 0.00 C ATOM 605 C GLN A 37 18.408 -2.089 8.096 1.00 0.00 C ATOM 606 O GLN A 37 19.503 -2.207 8.610 1.00 0.00 O ATOM 607 CB GLN A 37 16.755 -0.388 8.930 1.00 0.00 C ATOM 608 CG GLN A 37 16.312 1.071 8.793 1.00 0.00 C ATOM 609 CD GLN A 37 16.019 1.648 10.179 1.00 0.00 C ATOM 610 OE1 GLN A 37 16.853 1.599 11.060 1.00 0.00 O ATOM 611 NE2 GLN A 37 14.857 2.197 10.410 1.00 0.00 N ATOM 0 H GLN A 37 16.037 -0.478 6.651 1.00 0.00 H new ATOM 0 HA GLN A 37 18.606 0.010 7.844 1.00 0.00 H new ATOM 0 HB2 GLN A 37 15.895 -1.051 8.834 1.00 0.00 H new ATOM 0 HB3 GLN A 37 17.180 -0.559 9.919 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.091 1.654 8.302 1.00 0.00 H new ATOM 0 HG3 GLN A 37 15.423 1.135 8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 37 14.156 2.238 9.670 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.650 2.585 11.330 1.00 0.00 H new ATOM 620 N SER A 38 17.715 -3.133 7.725 1.00 0.00 N ATOM 621 CA SER A 38 18.261 -4.506 7.930 1.00 0.00 C ATOM 622 C SER A 38 19.464 -4.732 7.010 1.00 0.00 C ATOM 623 O SER A 38 20.456 -5.317 7.400 1.00 0.00 O ATOM 624 CB SER A 38 17.117 -5.450 7.559 1.00 0.00 C ATOM 625 OG SER A 38 16.288 -5.652 8.696 1.00 0.00 O ATOM 0 H SER A 38 16.794 -3.094 7.289 1.00 0.00 H new ATOM 0 HA SER A 38 18.603 -4.668 8.952 1.00 0.00 H new ATOM 0 HB2 SER A 38 16.534 -5.029 6.740 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.515 -6.403 7.211 1.00 0.00 H new ATOM 0 HG SER A 38 15.553 -5.004 8.684 1.00 0.00 H new ATOM 631 N ARG A 39 19.383 -4.265 5.791 1.00 0.00 N ATOM 632 CA ARG A 39 20.523 -4.447 4.843 1.00 0.00 C ATOM 633 C ARG A 39 21.785 -3.793 5.410 1.00 0.00 C ATOM 634 O ARG A 39 22.882 -4.290 5.246 1.00 0.00 O ATOM 635 CB ARG A 39 20.087 -3.743 3.557 1.00 0.00 C ATOM 636 CG ARG A 39 20.692 -4.464 2.349 1.00 0.00 C ATOM 637 CD ARG A 39 22.116 -3.956 2.111 1.00 0.00 C ATOM 638 NE ARG A 39 22.714 -4.925 1.152 1.00 0.00 N ATOM 639 CZ ARG A 39 23.756 -4.582 0.443 1.00 0.00 C ATOM 640 NH1 ARG A 39 24.807 -4.079 1.030 1.00 0.00 N ATOM 641 NH2 ARG A 39 23.747 -4.745 -0.852 1.00 0.00 N ATOM 0 H ARG A 39 18.578 -3.766 5.411 1.00 0.00 H new ATOM 0 HA ARG A 39 20.756 -5.498 4.672 1.00 0.00 H new ATOM 0 HB2 ARG A 39 18.999 -3.738 3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 39 20.410 -2.702 3.572 1.00 0.00 H new ATOM 0 HG2 ARG A 39 20.703 -5.540 2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 39 20.080 -4.290 1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 39 22.112 -2.946 1.701 1.00 0.00 H new ATOM 0 HD3 ARG A 39 22.683 -3.920 3.041 1.00 0.00 H new ATOM 0 HE ARG A 39 22.310 -5.856 1.049 1.00 0.00 H new ATOM 0 HH11 ARG A 39 24.815 -3.954 2.042 1.00 0.00 H new ATOM 0 HH12 ARG A 39 25.621 -3.811 0.477 1.00 0.00 H new ATOM 0 HH21 ARG A 39 22.926 -5.140 -1.311 1.00 0.00 H new ATOM 0 HH22 ARG A 39 24.561 -4.477 -1.405 1.00 0.00 H new ATOM 655 N ARG A 40 21.635 -2.682 6.083 1.00 0.00 N ATOM 656 CA ARG A 40 22.824 -1.995 6.667 1.00 0.00 C ATOM 657 C ARG A 40 23.399 -2.829 7.816 1.00 0.00 C ATOM 658 O ARG A 40 24.583 -3.102 7.864 1.00 0.00 O ATOM 659 CB ARG A 40 22.296 -0.655 7.187 1.00 0.00 C ATOM 660 CG ARG A 40 23.207 0.477 6.707 1.00 0.00 C ATOM 661 CD ARG A 40 22.382 1.753 6.528 1.00 0.00 C ATOM 662 NE ARG A 40 23.001 2.454 5.368 1.00 0.00 N ATOM 663 CZ ARG A 40 22.792 3.729 5.188 1.00 0.00 C ATOM 664 NH1 ARG A 40 21.594 4.222 5.343 1.00 0.00 N ATOM 665 NH2 ARG A 40 23.781 4.512 4.854 1.00 0.00 N ATOM 0 H ARG A 40 20.741 -2.221 6.253 1.00 0.00 H new ATOM 0 HA ARG A 40 23.623 -1.860 5.938 1.00 0.00 H new ATOM 0 HB2 ARG A 40 21.278 -0.491 6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 40 22.256 -0.666 8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 40 24.006 0.646 7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 40 23.681 0.202 5.765 1.00 0.00 H new ATOM 0 HD2 ARG A 40 21.334 1.522 6.336 1.00 0.00 H new ATOM 0 HD3 ARG A 40 22.413 2.372 7.425 1.00 0.00 H new ATOM 0 HE ARG A 40 23.589 1.937 4.714 1.00 0.00 H new ATOM 0 HH11 ARG A 40 20.821 3.610 5.605 1.00 0.00 H new ATOM 0 HH12 ARG A 40 21.431 5.219 5.202 1.00 0.00 H new ATOM 0 HH21 ARG A 40 24.718 4.127 4.734 1.00 0.00 H new ATOM 0 HH22 ARG A 40 23.617 5.509 4.713 1.00 0.00 H new ATOM 679 N SER A 41 22.567 -3.235 8.740 1.00 0.00 N ATOM 680 CA SER A 41 23.061 -4.054 9.889 1.00 0.00 C ATOM 681 C SER A 41 23.799 -5.295 9.383 1.00 0.00 C ATOM 682 O SER A 41 24.672 -5.820 10.045 1.00 0.00 O ATOM 683 CB SER A 41 21.808 -4.463 10.657 1.00 0.00 C ATOM 684 OG SER A 41 20.927 -3.351 10.747 1.00 0.00 O ATOM 0 H SER A 41 21.567 -3.035 8.749 1.00 0.00 H new ATOM 0 HA SER A 41 23.761 -3.498 10.512 1.00 0.00 H new ATOM 0 HB2 SER A 41 21.313 -5.293 10.153 1.00 0.00 H new ATOM 0 HB3 SER A 41 22.076 -4.810 11.655 1.00 0.00 H new ATOM 0 HG SER A 41 20.120 -3.612 11.239 1.00 0.00 H new ATOM 690 N THR A 42 23.455 -5.766 8.214 1.00 0.00 N ATOM 691 CA THR A 42 24.138 -6.975 7.664 1.00 0.00 C ATOM 692 C THR A 42 25.655 -6.769 7.676 1.00 0.00 C ATOM 693 O THR A 42 26.417 -7.695 7.870 1.00 0.00 O ATOM 694 CB THR A 42 23.627 -7.104 6.227 1.00 0.00 C ATOM 695 OG1 THR A 42 22.210 -7.206 6.239 1.00 0.00 O ATOM 696 CG2 THR A 42 24.227 -8.352 5.579 1.00 0.00 C ATOM 0 H THR A 42 22.731 -5.367 7.616 1.00 0.00 H new ATOM 0 HA THR A 42 23.930 -7.870 8.250 1.00 0.00 H new ATOM 0 HB THR A 42 23.923 -6.225 5.655 1.00 0.00 H new ATOM 0 HG1 THR A 42 21.880 -7.287 5.320 1.00 0.00 H new ATOM 0 HG21 THR A 42 23.862 -8.442 4.556 1.00 0.00 H new ATOM 0 HG22 THR A 42 25.314 -8.271 5.571 1.00 0.00 H new ATOM 0 HG23 THR A 42 23.934 -9.234 6.148 1.00 0.00 H new ATOM 704 N GLN A 43 26.095 -5.553 7.478 1.00 0.00 N ATOM 705 CA GLN A 43 27.563 -5.272 7.485 1.00 0.00 C ATOM 706 C GLN A 43 27.827 -3.800 7.149 1.00 0.00 C ATOM 707 O GLN A 43 28.797 -3.220 7.595 1.00 0.00 O ATOM 708 CB GLN A 43 28.160 -6.180 6.403 1.00 0.00 C ATOM 709 CG GLN A 43 29.027 -7.257 7.059 1.00 0.00 C ATOM 710 CD GLN A 43 28.974 -8.535 6.219 1.00 0.00 C ATOM 711 OE1 GLN A 43 29.925 -8.869 5.540 1.00 0.00 O ATOM 712 NE2 GLN A 43 27.895 -9.270 6.237 1.00 0.00 N ATOM 0 H GLN A 43 25.501 -4.741 7.311 1.00 0.00 H new ATOM 0 HA GLN A 43 28.006 -5.462 8.463 1.00 0.00 H new ATOM 0 HB2 GLN A 43 27.363 -6.644 5.823 1.00 0.00 H new ATOM 0 HB3 GLN A 43 28.758 -5.590 5.708 1.00 0.00 H new ATOM 0 HG2 GLN A 43 30.056 -6.908 7.145 1.00 0.00 H new ATOM 0 HG3 GLN A 43 28.673 -7.458 8.070 1.00 0.00 H new ATOM 0 HE21 GLN A 43 27.097 -8.990 6.807 1.00 0.00 H new ATOM 0 HE22 GLN A 43 27.850 -10.124 5.681 1.00 0.00 H new ATOM 721 N GLY A 44 26.975 -3.193 6.361 1.00 0.00 N ATOM 722 CA GLY A 44 27.176 -1.759 5.987 1.00 0.00 C ATOM 723 C GLY A 44 27.440 -0.921 7.230 1.00 0.00 C ATOM 724 O GLY A 44 28.086 0.107 7.166 1.00 0.00 O ATOM 0 H GLY A 44 26.146 -3.631 5.959 1.00 0.00 H new ATOM 0 HA2 GLY A 44 28.014 -1.670 5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 44 26.294 -1.384 5.468 1.00 0.00 H new ATOM 728 N VAL A 45 26.951 -1.343 8.364 1.00 0.00 N ATOM 729 CA VAL A 45 27.190 -0.551 9.599 1.00 0.00 C ATOM 730 C VAL A 45 28.685 -0.332 9.795 1.00 0.00 C ATOM 731 O VAL A 45 29.473 -1.255 9.739 1.00 0.00 O ATOM 732 CB VAL A 45 26.623 -1.372 10.752 1.00 0.00 C ATOM 733 CG1 VAL A 45 25.098 -1.423 10.643 1.00 0.00 C ATOM 734 CG2 VAL A 45 27.193 -2.795 10.710 1.00 0.00 C ATOM 0 H VAL A 45 26.402 -2.194 8.487 1.00 0.00 H new ATOM 0 HA VAL A 45 26.716 0.429 9.542 1.00 0.00 H new ATOM 0 HB VAL A 45 26.903 -0.905 11.696 1.00 0.00 H new ATOM 0 HG11 VAL A 45 24.694 -2.010 11.468 1.00 0.00 H new ATOM 0 HG12 VAL A 45 24.696 -0.411 10.687 1.00 0.00 H new ATOM 0 HG13 VAL A 45 24.816 -1.885 9.697 1.00 0.00 H new ATOM 0 HG21 VAL A 45 26.783 -3.376 11.537 1.00 0.00 H new ATOM 0 HG22 VAL A 45 26.923 -3.268 9.766 1.00 0.00 H new ATOM 0 HG23 VAL A 45 28.279 -2.755 10.798 1.00 0.00 H new ATOM 744 N THR A 46 29.067 0.886 10.017 1.00 0.00 N ATOM 745 CA THR A 46 30.512 1.207 10.219 1.00 0.00 C ATOM 746 C THR A 46 31.047 0.482 11.458 1.00 0.00 C ATOM 747 O THR A 46 31.316 1.086 12.479 1.00 0.00 O ATOM 748 CB THR A 46 30.563 2.726 10.417 1.00 0.00 C ATOM 749 OG1 THR A 46 31.904 3.123 10.665 1.00 0.00 O ATOM 750 CG2 THR A 46 29.684 3.126 11.606 1.00 0.00 C ATOM 0 H THR A 46 28.438 1.687 10.069 1.00 0.00 H new ATOM 0 HA THR A 46 31.126 0.889 9.376 1.00 0.00 H new ATOM 0 HB THR A 46 30.194 3.219 9.518 1.00 0.00 H new ATOM 0 HG1 THR A 46 31.940 4.094 10.790 1.00 0.00 H new ATOM 0 HG21 THR A 46 29.725 4.207 11.741 1.00 0.00 H new ATOM 0 HG22 THR A 46 28.655 2.823 11.416 1.00 0.00 H new ATOM 0 HG23 THR A 46 30.046 2.634 12.508 1.00 0.00 H new ATOM 758 N LEU A 47 31.200 -0.811 11.374 1.00 0.00 N ATOM 759 CA LEU A 47 31.712 -1.593 12.535 1.00 0.00 C ATOM 760 C LEU A 47 32.378 -2.879 12.039 1.00 0.00 C ATOM 761 O LEU A 47 33.451 -3.244 12.478 1.00 0.00 O ATOM 762 CB LEU A 47 30.472 -1.917 13.372 1.00 0.00 C ATOM 763 CG LEU A 47 30.771 -1.669 14.854 1.00 0.00 C ATOM 764 CD1 LEU A 47 30.012 -0.427 15.330 1.00 0.00 C ATOM 765 CD2 LEU A 47 30.322 -2.882 15.675 1.00 0.00 C ATOM 0 H LEU A 47 30.990 -1.364 10.543 1.00 0.00 H new ATOM 0 HA LEU A 47 32.458 -1.046 13.112 1.00 0.00 H new ATOM 0 HB2 LEU A 47 29.633 -1.299 13.052 1.00 0.00 H new ATOM 0 HB3 LEU A 47 30.179 -2.956 13.219 1.00 0.00 H new ATOM 0 HG LEU A 47 31.842 -1.514 14.985 1.00 0.00 H new ATOM 0 HD11 LEU A 47 30.226 -0.252 16.384 1.00 0.00 H new ATOM 0 HD12 LEU A 47 30.328 0.438 14.747 1.00 0.00 H new ATOM 0 HD13 LEU A 47 28.941 -0.582 15.198 1.00 0.00 H new ATOM 0 HD21 LEU A 47 30.534 -2.706 16.730 1.00 0.00 H new ATOM 0 HD22 LEU A 47 29.251 -3.036 15.541 1.00 0.00 H new ATOM 0 HD23 LEU A 47 30.861 -3.768 15.339 1.00 0.00 H new ATOM 777 N THR A 48 31.747 -3.563 11.121 1.00 0.00 N ATOM 778 CA THR A 48 32.339 -4.825 10.587 1.00 0.00 C ATOM 779 C THR A 48 32.878 -4.595 9.172 1.00 0.00 C ATOM 780 O THR A 48 33.869 -5.177 8.774 1.00 0.00 O ATOM 781 CB THR A 48 31.184 -5.827 10.564 1.00 0.00 C ATOM 782 OG1 THR A 48 30.643 -5.952 11.872 1.00 0.00 O ATOM 783 CG2 THR A 48 31.694 -7.188 10.089 1.00 0.00 C ATOM 0 H THR A 48 30.847 -3.302 10.718 1.00 0.00 H new ATOM 0 HA THR A 48 33.173 -5.180 11.193 1.00 0.00 H new ATOM 0 HB THR A 48 30.411 -5.474 9.882 1.00 0.00 H new ATOM 0 HG1 THR A 48 29.901 -6.592 11.859 1.00 0.00 H new ATOM 0 HG21 THR A 48 30.869 -7.900 10.073 1.00 0.00 H new ATOM 0 HG22 THR A 48 32.109 -7.091 9.086 1.00 0.00 H new ATOM 0 HG23 THR A 48 32.468 -7.544 10.769 1.00 0.00 H new ATOM 791 N ASP A 49 32.235 -3.749 8.411 1.00 0.00 N ATOM 792 CA ASP A 49 32.711 -3.479 7.020 1.00 0.00 C ATOM 793 C ASP A 49 34.160 -2.985 7.044 1.00 0.00 C ATOM 794 O ASP A 49 34.919 -3.213 6.122 1.00 0.00 O ATOM 795 CB ASP A 49 31.782 -2.388 6.484 1.00 0.00 C ATOM 796 CG ASP A 49 31.875 -2.344 4.958 1.00 0.00 C ATOM 797 OD1 ASP A 49 31.212 -3.143 4.319 1.00 0.00 O ATOM 798 OD2 ASP A 49 32.610 -1.509 4.453 1.00 0.00 O ATOM 0 H ASP A 49 31.401 -3.233 8.691 1.00 0.00 H new ATOM 0 HA ASP A 49 32.689 -4.373 6.397 1.00 0.00 H new ATOM 0 HB2 ASP A 49 30.755 -2.587 6.791 1.00 0.00 H new ATOM 0 HB3 ASP A 49 32.059 -1.421 6.904 1.00 0.00 H new ATOM 803 N LEU A 50 34.547 -2.309 8.093 1.00 0.00 N ATOM 804 CA LEU A 50 35.948 -1.798 8.182 1.00 0.00 C ATOM 805 C LEU A 50 36.943 -2.954 8.047 1.00 0.00 C ATOM 806 O LEU A 50 38.038 -2.788 7.546 1.00 0.00 O ATOM 807 CB LEU A 50 36.051 -1.161 9.569 1.00 0.00 C ATOM 808 CG LEU A 50 37.400 -0.452 9.708 1.00 0.00 C ATOM 809 CD1 LEU A 50 37.235 1.030 9.364 1.00 0.00 C ATOM 810 CD2 LEU A 50 37.900 -0.587 11.148 1.00 0.00 C ATOM 0 H LEU A 50 33.954 -2.088 8.893 1.00 0.00 H new ATOM 0 HA LEU A 50 36.179 -1.087 7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 50 35.238 -0.450 9.715 1.00 0.00 H new ATOM 0 HB3 LEU A 50 35.949 -1.925 10.340 1.00 0.00 H new ATOM 0 HG LEU A 50 38.121 -0.906 9.028 1.00 0.00 H new ATOM 0 HD11 LEU A 50 38.196 1.536 9.463 1.00 0.00 H new ATOM 0 HD12 LEU A 50 36.877 1.128 8.339 1.00 0.00 H new ATOM 0 HD13 LEU A 50 36.515 1.484 10.045 1.00 0.00 H new ATOM 0 HD21 LEU A 50 38.861 -0.082 11.248 1.00 0.00 H new ATOM 0 HD22 LEU A 50 37.179 -0.133 11.828 1.00 0.00 H new ATOM 0 HD23 LEU A 50 38.017 -1.642 11.395 1.00 0.00 H new ATOM 822 N GLN A 51 36.568 -4.126 8.489 1.00 0.00 N ATOM 823 CA GLN A 51 37.490 -5.295 8.386 1.00 0.00 C ATOM 824 C GLN A 51 37.817 -5.580 6.918 1.00 0.00 C ATOM 825 O GLN A 51 38.968 -5.653 6.532 1.00 0.00 O ATOM 826 CB GLN A 51 36.720 -6.466 9.000 1.00 0.00 C ATOM 827 CG GLN A 51 36.579 -6.250 10.508 1.00 0.00 C ATOM 828 CD GLN A 51 36.236 -7.579 11.184 1.00 0.00 C ATOM 829 OE1 GLN A 51 37.073 -8.453 11.295 1.00 0.00 O ATOM 830 NE2 GLN A 51 35.030 -7.770 11.646 1.00 0.00 N ATOM 0 H GLN A 51 35.663 -4.324 8.917 1.00 0.00 H new ATOM 0 HA GLN A 51 38.437 -5.119 8.896 1.00 0.00 H new ATOM 0 HB2 GLN A 51 35.735 -6.548 8.540 1.00 0.00 H new ATOM 0 HB3 GLN A 51 37.243 -7.402 8.803 1.00 0.00 H new ATOM 0 HG2 GLN A 51 37.507 -5.850 10.917 1.00 0.00 H new ATOM 0 HG3 GLN A 51 35.799 -5.515 10.710 1.00 0.00 H new ATOM 0 HE21 GLN A 51 34.326 -7.037 11.554 1.00 0.00 H new ATOM 0 HE22 GLN A 51 34.791 -8.652 12.099 1.00 0.00 H new ATOM 839 N GLU A 52 36.813 -5.740 6.099 1.00 0.00 N ATOM 840 CA GLU A 52 37.064 -6.019 4.653 1.00 0.00 C ATOM 841 C GLU A 52 37.776 -4.829 4.003 1.00 0.00 C ATOM 842 O GLU A 52 38.598 -4.992 3.124 1.00 0.00 O ATOM 843 CB GLU A 52 35.677 -6.215 4.038 1.00 0.00 C ATOM 844 CG GLU A 52 35.806 -6.997 2.729 1.00 0.00 C ATOM 845 CD GLU A 52 34.488 -7.714 2.430 1.00 0.00 C ATOM 846 OE1 GLU A 52 34.220 -8.713 3.075 1.00 0.00 O ATOM 847 OE2 GLU A 52 33.770 -7.250 1.559 1.00 0.00 O ATOM 0 H GLU A 52 35.830 -5.690 6.367 1.00 0.00 H new ATOM 0 HA GLU A 52 37.701 -6.891 4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 52 35.032 -6.752 4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 52 35.210 -5.248 3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 52 36.057 -6.320 1.912 1.00 0.00 H new ATOM 0 HG3 GLU A 52 36.617 -7.721 2.804 1.00 0.00 H new ATOM 854 N ALA A 53 37.467 -3.634 4.434 1.00 0.00 N ATOM 855 CA ALA A 53 38.126 -2.432 3.845 1.00 0.00 C ATOM 856 C ALA A 53 39.637 -2.489 4.085 1.00 0.00 C ATOM 857 O ALA A 53 40.424 -2.136 3.230 1.00 0.00 O ATOM 858 CB ALA A 53 37.511 -1.240 4.578 1.00 0.00 C ATOM 0 H ALA A 53 36.787 -3.439 5.168 1.00 0.00 H new ATOM 0 HA ALA A 53 37.977 -2.366 2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 53 37.947 -0.316 4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 53 36.434 -1.228 4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 53 37.714 -1.325 5.646 1.00 0.00 H new ATOM 864 N GLU A 54 40.044 -2.935 5.244 1.00 0.00 N ATOM 865 CA GLU A 54 41.504 -3.018 5.543 1.00 0.00 C ATOM 866 C GLU A 54 42.140 -4.153 4.737 1.00 0.00 C ATOM 867 O GLU A 54 43.280 -4.071 4.323 1.00 0.00 O ATOM 868 CB GLU A 54 41.588 -3.310 7.041 1.00 0.00 C ATOM 869 CG GLU A 54 42.734 -2.504 7.656 1.00 0.00 C ATOM 870 CD GLU A 54 42.234 -1.109 8.032 1.00 0.00 C ATOM 871 OE1 GLU A 54 41.441 -0.564 7.281 1.00 0.00 O ATOM 872 OE2 GLU A 54 42.651 -0.609 9.063 1.00 0.00 O ATOM 0 H GLU A 54 39.429 -3.245 5.996 1.00 0.00 H new ATOM 0 HA GLU A 54 42.034 -2.103 5.279 1.00 0.00 H new ATOM 0 HB2 GLU A 54 40.647 -3.051 7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 54 41.749 -4.375 7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 54 43.118 -3.014 8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 54 43.559 -2.427 6.948 1.00 0.00 H new ATOM 879 N LYS A 55 41.408 -5.211 4.510 1.00 0.00 N ATOM 880 CA LYS A 55 41.967 -6.354 3.729 1.00 0.00 C ATOM 881 C LYS A 55 42.073 -5.977 2.249 1.00 0.00 C ATOM 882 O LYS A 55 42.952 -6.433 1.544 1.00 0.00 O ATOM 883 CB LYS A 55 40.966 -7.495 3.921 1.00 0.00 C ATOM 884 CG LYS A 55 41.606 -8.815 3.489 1.00 0.00 C ATOM 885 CD LYS A 55 40.669 -9.974 3.834 1.00 0.00 C ATOM 886 CE LYS A 55 41.007 -10.509 5.227 1.00 0.00 C ATOM 887 NZ LYS A 55 39.695 -10.883 5.824 1.00 0.00 N ATOM 0 H LYS A 55 40.448 -5.334 4.831 1.00 0.00 H new ATOM 0 HA LYS A 55 42.968 -6.631 4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 55 40.660 -7.552 4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 55 40.067 -7.306 3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 55 41.805 -8.801 2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 55 42.565 -8.947 3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 55 39.632 -9.638 3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 55 40.769 -10.768 3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 55 41.674 -11.369 5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 55 41.513 -9.754 5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 39.844 -11.259 6.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 39.084 -10.043 5.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 39.239 -11.608 5.234 1.00 0.00 H new ATOM 901 N THR A 56 41.183 -5.146 1.774 1.00 0.00 N ATOM 902 CA THR A 56 41.230 -4.736 0.338 1.00 0.00 C ATOM 903 C THR A 56 42.575 -4.075 0.019 1.00 0.00 C ATOM 904 O THR A 56 43.203 -4.379 -0.975 1.00 0.00 O ATOM 905 CB THR A 56 40.088 -3.731 0.173 1.00 0.00 C ATOM 906 OG1 THR A 56 38.898 -4.274 0.728 1.00 0.00 O ATOM 907 CG2 THR A 56 39.874 -3.438 -1.312 1.00 0.00 C ATOM 0 H THR A 56 40.425 -4.733 2.318 1.00 0.00 H new ATOM 0 HA THR A 56 41.125 -5.586 -0.336 1.00 0.00 H new ATOM 0 HB THR A 56 40.341 -2.805 0.690 1.00 0.00 H new ATOM 0 HG1 THR A 56 38.881 -4.106 1.693 1.00 0.00 H new ATOM 0 HG21 THR A 56 39.060 -2.722 -1.428 1.00 0.00 H new ATOM 0 HG22 THR A 56 40.787 -3.021 -1.736 1.00 0.00 H new ATOM 0 HG23 THR A 56 39.621 -4.362 -1.832 1.00 0.00 H new ATOM 915 N ILE A 57 43.018 -3.177 0.858 1.00 0.00 N ATOM 916 CA ILE A 57 44.321 -2.497 0.604 1.00 0.00 C ATOM 917 C ILE A 57 45.474 -3.355 1.141 1.00 0.00 C ATOM 918 O ILE A 57 45.436 -3.832 2.260 1.00 0.00 O ATOM 919 CB ILE A 57 44.216 -1.156 1.349 1.00 0.00 C ATOM 920 CG1 ILE A 57 45.250 -0.167 0.791 1.00 0.00 C ATOM 921 CG2 ILE A 57 44.449 -1.358 2.851 1.00 0.00 C ATOM 922 CD1 ILE A 57 46.671 -0.696 1.013 1.00 0.00 C ATOM 0 H ILE A 57 42.534 -2.885 1.707 1.00 0.00 H new ATOM 0 HA ILE A 57 44.522 -2.346 -0.457 1.00 0.00 H new ATOM 0 HB ILE A 57 43.214 -0.753 1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 57 45.076 -0.011 -0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 57 45.136 0.801 1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 57 44.371 -0.399 3.363 1.00 0.00 H new ATOM 0 HG22 ILE A 57 43.699 -2.043 3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 57 45.443 -1.776 3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 57 47.391 0.017 0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 57 46.847 -0.828 2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 57 46.786 -1.653 0.505 1.00 0.00 H new ATOM 934 N GLY A 58 46.495 -3.555 0.351 1.00 0.00 N ATOM 935 CA GLY A 58 47.648 -4.380 0.812 1.00 0.00 C ATOM 936 C GLY A 58 48.518 -4.756 -0.388 1.00 0.00 C ATOM 937 O GLY A 58 49.489 -4.090 -0.695 1.00 0.00 O ATOM 0 H GLY A 58 46.580 -3.182 -0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 58 48.237 -3.825 1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 58 47.289 -5.280 1.310 1.00 0.00 H new ATOM 941 N ARG A 59 48.180 -5.818 -1.069 1.00 0.00 N ATOM 942 CA ARG A 59 48.988 -6.240 -2.251 1.00 0.00 C ATOM 943 C ARG A 59 48.139 -7.097 -3.195 1.00 0.00 C ATOM 944 O ARG A 59 48.632 -8.005 -3.835 1.00 0.00 O ATOM 945 CB ARG A 59 50.144 -7.059 -1.672 1.00 0.00 C ATOM 946 CG ARG A 59 49.593 -8.240 -0.864 1.00 0.00 C ATOM 947 CD ARG A 59 49.874 -8.021 0.624 1.00 0.00 C ATOM 948 NE ARG A 59 49.434 -9.280 1.288 1.00 0.00 N ATOM 949 CZ ARG A 59 50.320 -10.119 1.751 1.00 0.00 C ATOM 950 NH1 ARG A 59 51.182 -9.728 2.647 1.00 0.00 N ATOM 951 NH2 ARG A 59 50.343 -11.349 1.315 1.00 0.00 N ATOM 0 H ARG A 59 47.378 -6.413 -0.858 1.00 0.00 H new ATOM 0 HA ARG A 59 49.345 -5.389 -2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 59 50.782 -7.424 -2.477 1.00 0.00 H new ATOM 0 HB3 ARG A 59 50.764 -6.429 -1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 59 48.520 -8.339 -1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 59 50.055 -9.169 -1.198 1.00 0.00 H new ATOM 0 HD2 ARG A 59 50.932 -7.830 0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 59 49.326 -7.160 1.007 1.00 0.00 H new ATOM 0 HE ARG A 59 48.439 -9.486 1.381 1.00 0.00 H new ATOM 0 HH11 ARG A 59 51.164 -8.766 2.986 1.00 0.00 H new ATOM 0 HH12 ARG A 59 51.874 -10.384 3.009 1.00 0.00 H new ATOM 0 HH21 ARG A 59 49.669 -11.654 0.613 1.00 0.00 H new ATOM 0 HH22 ARG A 59 51.035 -12.005 1.676 1.00 0.00 H new ATOM 965 N SER A 60 46.865 -6.815 -3.285 1.00 0.00 N ATOM 966 CA SER A 60 45.974 -7.609 -4.187 1.00 0.00 C ATOM 967 C SER A 60 46.120 -9.108 -3.899 1.00 0.00 C ATOM 968 O SER A 60 46.972 -9.730 -4.512 1.00 0.00 O ATOM 969 CB SER A 60 46.449 -7.285 -5.605 1.00 0.00 C ATOM 970 OG SER A 60 45.838 -6.078 -6.040 1.00 0.00 O ATOM 971 OXT SER A 60 45.375 -9.607 -3.072 1.00 0.00 O ATOM 0 H SER A 60 46.400 -6.066 -2.771 1.00 0.00 H new ATOM 0 HA SER A 60 44.922 -7.362 -4.044 1.00 0.00 H new ATOM 0 HB2 SER A 60 47.534 -7.184 -5.623 1.00 0.00 H new ATOM 0 HB3 SER A 60 46.193 -8.100 -6.282 1.00 0.00 H new ATOM 0 HG SER A 60 46.141 -5.866 -6.948 1.00 0.00 H new TER 977 SER A 60