USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 382 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 MET CE :methyl -164:sc= 0 (180deg=-0.227) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -1.95 X(o=-1.9,f=-1.5) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ -101:sc= 0.0221 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 150:sc= 0.135 (180deg=0.00278) USER MOD Single : A 34 GLN : amide:sc= -2.57 K(o=-2.6,f=-6.4!) USER MOD Single : A 38 SER OG : rot 73:sc= 0.00206 USER MOD Single : A 41 SER OG : rot 24:sc= 0.294 USER MOD Single : A 42 SER OG : rot 27:sc= 0.418 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 13.924 0.084 7.214 1.00 0.00 N ATOM 2 CA GLY A -6 14.985 -0.732 6.652 1.00 0.00 C ATOM 3 C GLY A -6 16.344 -0.069 6.758 1.00 0.00 C ATOM 4 O GLY A -6 16.448 1.158 6.729 1.00 0.00 O ATOM 0 H1 GLY A -6 13.681 -0.268 8.162 1.00 0.00 H new ATOM 0 H2 GLY A -6 14.244 1.071 7.282 1.00 0.00 H new ATOM 0 H3 GLY A -6 13.086 0.034 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A -6 15.012 -1.693 7.166 1.00 0.00 H new ATOM 0 HA3 GLY A -6 14.765 -0.937 5.604 1.00 0.00 H new ATOM 8 N SER A -5 17.389 -0.880 6.883 1.00 0.00 N ATOM 9 CA SER A -5 18.748 -0.365 6.999 1.00 0.00 C ATOM 10 C SER A -5 19.510 -0.540 5.688 1.00 0.00 C ATOM 11 O SER A -5 19.276 -1.493 4.945 1.00 0.00 O ATOM 12 CB SER A -5 19.491 -1.075 8.132 1.00 0.00 C ATOM 13 OG SER A -5 20.722 -0.433 8.416 1.00 0.00 O ATOM 0 H SER A -5 17.321 -1.897 6.907 1.00 0.00 H new ATOM 0 HA SER A -5 18.688 0.700 7.225 1.00 0.00 H new ATOM 0 HB2 SER A -5 18.869 -1.088 9.027 1.00 0.00 H new ATOM 0 HB3 SER A -5 19.674 -2.114 7.856 1.00 0.00 H new ATOM 0 HG SER A -5 21.177 -0.905 9.145 1.00 0.00 H new ATOM 19 N SER A -4 20.421 0.387 5.412 1.00 0.00 N ATOM 20 CA SER A -4 21.215 0.338 4.190 1.00 0.00 C ATOM 21 C SER A -4 21.757 -1.068 3.950 1.00 0.00 C ATOM 22 O SER A -4 22.506 -1.604 4.766 1.00 0.00 O ATOM 23 CB SER A -4 22.372 1.336 4.268 1.00 0.00 C ATOM 24 OG SER A -4 22.759 1.770 2.976 1.00 0.00 O ATOM 0 H SER A -4 20.628 1.181 6.018 1.00 0.00 H new ATOM 0 HA SER A -4 20.568 0.607 3.355 1.00 0.00 H new ATOM 0 HB2 SER A -4 22.075 2.195 4.870 1.00 0.00 H new ATOM 0 HB3 SER A -4 23.222 0.874 4.770 1.00 0.00 H new ATOM 0 HG SER A -4 23.499 2.408 3.053 1.00 0.00 H new ATOM 30 N GLY A -3 21.372 -1.660 2.824 1.00 0.00 N ATOM 31 CA GLY A -3 21.828 -2.998 2.495 1.00 0.00 C ATOM 32 C GLY A -3 21.198 -3.530 1.224 1.00 0.00 C ATOM 33 O GLY A -3 21.838 -3.563 0.173 1.00 0.00 O ATOM 0 H GLY A -3 20.752 -1.237 2.133 1.00 0.00 H new ATOM 0 HA2 GLY A -3 22.912 -2.992 2.384 1.00 0.00 H new ATOM 0 HA3 GLY A -3 21.596 -3.671 3.321 1.00 0.00 H new ATOM 37 N SER A -2 19.940 -3.948 1.319 1.00 0.00 N ATOM 38 CA SER A -2 19.224 -4.486 0.168 1.00 0.00 C ATOM 39 C SER A -2 18.182 -3.493 -0.337 1.00 0.00 C ATOM 40 O SER A -2 17.488 -2.850 0.451 1.00 0.00 O ATOM 41 CB SER A -2 18.549 -5.810 0.534 1.00 0.00 C ATOM 42 OG SER A -2 19.510 -6.820 0.785 1.00 0.00 O ATOM 0 H SER A -2 19.395 -3.925 2.181 1.00 0.00 H new ATOM 0 HA SER A -2 19.947 -4.663 -0.628 1.00 0.00 H new ATOM 0 HB2 SER A -2 17.924 -5.671 1.416 1.00 0.00 H new ATOM 0 HB3 SER A -2 17.891 -6.123 -0.277 1.00 0.00 H new ATOM 0 HG SER A -2 19.053 -7.655 1.018 1.00 0.00 H new ATOM 48 N SER A -1 18.078 -3.373 -1.657 1.00 0.00 N ATOM 49 CA SER A -1 17.124 -2.456 -2.268 1.00 0.00 C ATOM 50 C SER A -1 16.238 -3.185 -3.274 1.00 0.00 C ATOM 51 O SER A -1 16.511 -4.325 -3.647 1.00 0.00 O ATOM 52 CB SER A -1 17.860 -1.307 -2.960 1.00 0.00 C ATOM 53 OG SER A -1 18.661 -0.587 -2.038 1.00 0.00 O ATOM 0 H SER A -1 18.643 -3.900 -2.323 1.00 0.00 H new ATOM 0 HA SER A -1 16.491 -2.050 -1.479 1.00 0.00 H new ATOM 0 HB2 SER A -1 18.486 -1.701 -3.760 1.00 0.00 H new ATOM 0 HB3 SER A -1 17.138 -0.634 -3.422 1.00 0.00 H new ATOM 0 HG SER A -1 19.123 0.141 -2.504 1.00 0.00 H new ATOM 59 N GLY A 0 15.173 -2.517 -3.708 1.00 0.00 N ATOM 60 CA GLY A 0 14.262 -3.115 -4.666 1.00 0.00 C ATOM 61 C GLY A 0 12.872 -3.319 -4.095 1.00 0.00 C ATOM 62 O GLY A 0 12.704 -3.434 -2.882 1.00 0.00 O ATOM 0 H GLY A 0 14.925 -1.573 -3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 0 14.199 -2.479 -5.549 1.00 0.00 H new ATOM 0 HA3 GLY A 0 14.662 -4.075 -4.993 1.00 0.00 H new ATOM 66 N MET A 1 11.875 -3.362 -4.972 1.00 0.00 N ATOM 67 CA MET A 1 10.492 -3.552 -4.547 1.00 0.00 C ATOM 68 C MET A 1 9.668 -4.199 -5.656 1.00 0.00 C ATOM 69 O MET A 1 9.941 -4.003 -6.840 1.00 0.00 O ATOM 70 CB MET A 1 9.870 -2.213 -4.147 1.00 0.00 C ATOM 71 CG MET A 1 8.476 -2.344 -3.556 1.00 0.00 C ATOM 72 SD MET A 1 7.959 -0.865 -2.663 1.00 0.00 S ATOM 73 CE MET A 1 7.924 -1.480 -0.981 1.00 0.00 C ATOM 0 H MET A 1 11.998 -3.268 -5.980 1.00 0.00 H new ATOM 0 HA MET A 1 10.491 -4.216 -3.683 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.519 -1.722 -3.421 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.825 -1.566 -5.023 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.764 -2.548 -4.356 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.451 -3.199 -2.881 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.361 -0.790 -0.353 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.447 -2.460 -0.962 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.943 -1.565 -0.604 1.00 0.00 H new ATOM 83 N ASP A 2 8.658 -4.968 -5.264 1.00 0.00 N ATOM 84 CA ASP A 2 7.793 -5.642 -6.225 1.00 0.00 C ATOM 85 C ASP A 2 6.323 -5.408 -5.891 1.00 0.00 C ATOM 86 O ASP A 2 5.653 -6.283 -5.343 1.00 0.00 O ATOM 87 CB ASP A 2 8.091 -7.142 -6.247 1.00 0.00 C ATOM 88 CG ASP A 2 9.577 -7.438 -6.213 1.00 0.00 C ATOM 89 OD1 ASP A 2 10.177 -7.336 -5.123 1.00 0.00 O ATOM 90 OD2 ASP A 2 10.141 -7.771 -7.276 1.00 0.00 O ATOM 0 H ASP A 2 8.418 -5.140 -4.288 1.00 0.00 H new ATOM 0 HA ASP A 2 7.994 -5.225 -7.212 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.609 -7.618 -5.393 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.656 -7.583 -7.144 1.00 0.00 H new ATOM 95 N VAL A 3 5.828 -4.220 -6.222 1.00 0.00 N ATOM 96 CA VAL A 3 4.438 -3.870 -5.958 1.00 0.00 C ATOM 97 C VAL A 3 3.486 -4.849 -6.635 1.00 0.00 C ATOM 98 O VAL A 3 2.380 -5.091 -6.151 1.00 0.00 O ATOM 99 CB VAL A 3 4.117 -2.442 -6.440 1.00 0.00 C ATOM 100 CG1 VAL A 3 4.314 -2.330 -7.944 1.00 0.00 C ATOM 101 CG2 VAL A 3 2.698 -2.055 -6.049 1.00 0.00 C ATOM 0 H VAL A 3 6.370 -3.483 -6.674 1.00 0.00 H new ATOM 0 HA VAL A 3 4.299 -3.921 -4.878 1.00 0.00 H new ATOM 0 HB VAL A 3 4.805 -1.749 -5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.083 -1.315 -8.267 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.349 -2.563 -8.194 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.652 -3.032 -8.451 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.488 -1.044 -6.397 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.993 -2.750 -6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.596 -2.094 -4.964 1.00 0.00 H new ATOM 111 N ARG A 4 3.923 -5.411 -7.757 1.00 0.00 N ATOM 112 CA ARG A 4 3.109 -6.364 -8.502 1.00 0.00 C ATOM 113 C ARG A 4 2.790 -7.588 -7.649 1.00 0.00 C ATOM 114 O ARG A 4 1.840 -8.321 -7.929 1.00 0.00 O ATOM 115 CB ARG A 4 3.831 -6.794 -9.780 1.00 0.00 C ATOM 116 CG ARG A 4 3.577 -5.873 -10.963 1.00 0.00 C ATOM 117 CD ARG A 4 4.096 -6.475 -12.259 1.00 0.00 C ATOM 118 NE ARG A 4 4.075 -5.511 -13.356 1.00 0.00 N ATOM 119 CZ ARG A 4 4.208 -5.850 -14.634 1.00 0.00 C ATOM 120 NH1 ARG A 4 4.370 -7.121 -14.973 1.00 0.00 N ATOM 121 NH2 ARG A 4 4.179 -4.915 -15.576 1.00 0.00 N ATOM 0 H ARG A 4 4.836 -5.223 -8.170 1.00 0.00 H new ATOM 0 HA ARG A 4 2.173 -5.874 -8.769 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.903 -6.834 -9.586 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.516 -7.804 -10.043 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.508 -5.680 -11.053 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.060 -4.912 -10.788 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.115 -6.833 -12.110 1.00 0.00 H new ATOM 0 HD3 ARG A 4 3.490 -7.341 -12.525 1.00 0.00 H new ATOM 0 HE ARG A 4 3.952 -4.524 -13.129 1.00 0.00 H new ATOM 0 HH11 ARG A 4 4.393 -7.842 -14.252 1.00 0.00 H new ATOM 0 HH12 ARG A 4 4.472 -7.378 -15.955 1.00 0.00 H new ATOM 0 HH21 ARG A 4 4.055 -3.936 -15.319 1.00 0.00 H new ATOM 0 HH22 ARG A 4 4.281 -5.176 -16.557 1.00 0.00 H new ATOM 135 N ARG A 5 3.588 -7.804 -6.609 1.00 0.00 N ATOM 136 CA ARG A 5 3.392 -8.940 -5.717 1.00 0.00 C ATOM 137 C ARG A 5 2.873 -8.480 -4.358 1.00 0.00 C ATOM 138 O ARG A 5 2.170 -9.220 -3.667 1.00 0.00 O ATOM 139 CB ARG A 5 4.701 -9.710 -5.541 1.00 0.00 C ATOM 140 CG ARG A 5 4.735 -10.578 -4.294 1.00 0.00 C ATOM 141 CD ARG A 5 5.669 -11.765 -4.466 1.00 0.00 C ATOM 142 NE ARG A 5 5.423 -12.805 -3.470 1.00 0.00 N ATOM 143 CZ ARG A 5 5.889 -14.045 -3.571 1.00 0.00 C ATOM 144 NH1 ARG A 5 6.622 -14.398 -4.618 1.00 0.00 N ATOM 145 NH2 ARG A 5 5.622 -14.935 -2.624 1.00 0.00 N ATOM 0 H ARG A 5 4.377 -7.207 -6.363 1.00 0.00 H new ATOM 0 HA ARG A 5 2.649 -9.599 -6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.863 -10.340 -6.416 1.00 0.00 H new ATOM 0 HB3 ARG A 5 5.527 -9.000 -5.502 1.00 0.00 H new ATOM 0 HG2 ARG A 5 5.058 -9.980 -3.442 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.730 -10.934 -4.070 1.00 0.00 H new ATOM 0 HD2 ARG A 5 5.544 -12.183 -5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.702 -11.427 -4.389 1.00 0.00 H new ATOM 0 HE ARG A 5 4.863 -12.566 -2.652 1.00 0.00 H new ATOM 0 HH11 ARG A 5 6.829 -13.717 -5.348 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.979 -15.351 -4.693 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.058 -14.668 -1.817 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.980 -15.887 -2.703 1.00 0.00 H new ATOM 159 N LEU A 6 3.223 -7.256 -3.980 1.00 0.00 N ATOM 160 CA LEU A 6 2.793 -6.697 -2.703 1.00 0.00 C ATOM 161 C LEU A 6 1.339 -7.056 -2.413 1.00 0.00 C ATOM 162 O LEU A 6 0.423 -6.564 -3.072 1.00 0.00 O ATOM 163 CB LEU A 6 2.964 -5.177 -2.705 1.00 0.00 C ATOM 164 CG LEU A 6 4.337 -4.656 -2.278 1.00 0.00 C ATOM 165 CD1 LEU A 6 4.303 -3.146 -2.103 1.00 0.00 C ATOM 166 CD2 LEU A 6 4.789 -5.334 -0.993 1.00 0.00 C ATOM 0 H LEU A 6 3.804 -6.631 -4.540 1.00 0.00 H new ATOM 0 HA LEU A 6 3.417 -7.126 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.754 -4.809 -3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.212 -4.746 -2.044 1.00 0.00 H new ATOM 0 HG LEU A 6 5.055 -4.894 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.288 -2.793 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.024 -2.677 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.572 -2.885 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.768 -4.951 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.070 -5.127 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.853 -6.410 -1.153 1.00 0.00 H new ATOM 178 N LYS A 7 1.134 -7.916 -1.421 1.00 0.00 N ATOM 179 CA LYS A 7 -0.208 -8.339 -1.040 1.00 0.00 C ATOM 180 C LYS A 7 -1.143 -7.140 -0.918 1.00 0.00 C ATOM 181 O LYS A 7 -0.700 -5.991 -0.929 1.00 0.00 O ATOM 182 CB LYS A 7 -0.168 -9.104 0.285 1.00 0.00 C ATOM 183 CG LYS A 7 0.431 -10.495 0.166 1.00 0.00 C ATOM 184 CD LYS A 7 -0.161 -11.447 1.192 1.00 0.00 C ATOM 185 CE LYS A 7 0.542 -12.795 1.172 1.00 0.00 C ATOM 186 NZ LYS A 7 1.807 -12.772 1.957 1.00 0.00 N ATOM 0 H LYS A 7 1.881 -8.334 -0.866 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.589 -8.997 -1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.409 -8.530 1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.181 -9.186 0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.254 -10.884 -0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.511 -10.440 0.300 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.080 -11.008 2.186 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.223 -11.586 0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.123 -13.558 1.577 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.759 -13.076 0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.256 -13.709 1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.452 -12.062 1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.597 -12.529 2.946 1.00 0.00 H new ATOM 200 N VAL A 8 -2.438 -7.414 -0.801 1.00 0.00 N ATOM 201 CA VAL A 8 -3.435 -6.357 -0.674 1.00 0.00 C ATOM 202 C VAL A 8 -3.177 -5.505 0.563 1.00 0.00 C ATOM 203 O VAL A 8 -3.330 -4.284 0.531 1.00 0.00 O ATOM 204 CB VAL A 8 -4.860 -6.937 -0.598 1.00 0.00 C ATOM 205 CG1 VAL A 8 -5.030 -8.071 -1.596 1.00 0.00 C ATOM 206 CG2 VAL A 8 -5.168 -7.408 0.815 1.00 0.00 C ATOM 0 H VAL A 8 -2.822 -8.359 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.352 -5.733 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.568 -6.150 -0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.043 -8.468 -1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.854 -7.697 -2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.315 -8.862 -1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.179 -7.815 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.455 -8.180 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.091 -6.567 1.504 1.00 0.00 H new ATOM 216 N ASN A 9 -2.785 -6.156 1.653 1.00 0.00 N ATOM 217 CA ASN A 9 -2.506 -5.458 2.902 1.00 0.00 C ATOM 218 C ASN A 9 -1.293 -4.544 2.755 1.00 0.00 C ATOM 219 O ASN A 9 -1.264 -3.443 3.303 1.00 0.00 O ATOM 220 CB ASN A 9 -2.268 -6.463 4.030 1.00 0.00 C ATOM 221 CG ASN A 9 -1.137 -7.424 3.719 1.00 0.00 C ATOM 222 OD1 ASN A 9 0.020 -7.168 4.054 1.00 0.00 O ATOM 223 ND2 ASN A 9 -1.467 -8.537 3.075 1.00 0.00 N ATOM 0 H ASN A 9 -2.653 -7.167 1.696 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.373 -4.845 3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.041 -5.925 4.950 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -3.183 -7.028 4.208 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -0.749 -9.221 2.838 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.439 -8.708 2.817 1.00 0.00 H new ATOM 230 N GLU A 10 -0.295 -5.010 2.011 1.00 0.00 N ATOM 231 CA GLU A 10 0.921 -4.234 1.792 1.00 0.00 C ATOM 232 C GLU A 10 0.618 -2.954 1.018 1.00 0.00 C ATOM 233 O GLU A 10 1.091 -1.874 1.372 1.00 0.00 O ATOM 234 CB GLU A 10 1.955 -5.069 1.034 1.00 0.00 C ATOM 235 CG GLU A 10 2.358 -6.343 1.758 1.00 0.00 C ATOM 236 CD GLU A 10 3.401 -6.100 2.831 1.00 0.00 C ATOM 237 OE1 GLU A 10 3.103 -5.358 3.790 1.00 0.00 O ATOM 238 OE2 GLU A 10 4.516 -6.650 2.710 1.00 0.00 O ATOM 0 H GLU A 10 -0.304 -5.920 1.550 1.00 0.00 H new ATOM 0 HA GLU A 10 1.328 -3.961 2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.552 -5.329 0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.844 -4.462 0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.475 -6.794 2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.747 -7.060 1.035 1.00 0.00 H new ATOM 245 N LEU A 11 -0.174 -3.084 -0.041 1.00 0.00 N ATOM 246 CA LEU A 11 -0.541 -1.939 -0.867 1.00 0.00 C ATOM 247 C LEU A 11 -1.365 -0.933 -0.068 1.00 0.00 C ATOM 248 O LEU A 11 -1.167 0.276 -0.183 1.00 0.00 O ATOM 249 CB LEU A 11 -1.329 -2.402 -2.093 1.00 0.00 C ATOM 250 CG LEU A 11 -0.681 -3.505 -2.931 1.00 0.00 C ATOM 251 CD1 LEU A 11 -1.715 -4.175 -3.822 1.00 0.00 C ATOM 252 CD2 LEU A 11 0.459 -2.940 -3.765 1.00 0.00 C ATOM 0 H LEU A 11 -0.574 -3.971 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 11 0.376 -1.450 -1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.306 -2.753 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.502 -1.539 -2.736 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.273 -4.256 -2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.236 -4.957 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.498 -4.614 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.154 -3.434 -4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.909 -3.739 -4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.074 -2.169 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.212 -2.507 -3.106 1.00 0.00 H new ATOM 264 N ARG A 12 -2.287 -1.442 0.742 1.00 0.00 N ATOM 265 CA ARG A 12 -3.140 -0.589 1.560 1.00 0.00 C ATOM 266 C ARG A 12 -2.317 0.162 2.603 1.00 0.00 C ATOM 267 O ARG A 12 -2.579 1.329 2.892 1.00 0.00 O ATOM 268 CB ARG A 12 -4.221 -1.423 2.250 1.00 0.00 C ATOM 269 CG ARG A 12 -5.458 -1.644 1.396 1.00 0.00 C ATOM 270 CD ARG A 12 -6.313 -2.779 1.937 1.00 0.00 C ATOM 271 NE ARG A 12 -7.481 -3.033 1.097 1.00 0.00 N ATOM 272 CZ ARG A 12 -8.576 -3.649 1.528 1.00 0.00 C ATOM 273 NH1 ARG A 12 -8.653 -4.071 2.783 1.00 0.00 N ATOM 274 NH2 ARG A 12 -9.597 -3.843 0.704 1.00 0.00 N ATOM 0 H ARG A 12 -2.462 -2.441 0.849 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.617 0.140 0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.801 -2.391 2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.513 -0.929 3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.047 -0.727 1.363 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.159 -1.868 0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.711 -3.685 2.005 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.640 -2.537 2.948 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.454 -2.720 0.127 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.870 -3.923 3.420 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.495 -4.544 3.111 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.542 -3.519 -0.262 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.437 -4.316 1.036 1.00 0.00 H new ATOM 288 N GLU A 13 -1.323 -0.518 3.166 1.00 0.00 N ATOM 289 CA GLU A 13 -0.463 0.085 4.178 1.00 0.00 C ATOM 290 C GLU A 13 0.344 1.238 3.590 1.00 0.00 C ATOM 291 O GLU A 13 0.437 2.311 4.186 1.00 0.00 O ATOM 292 CB GLU A 13 0.482 -0.965 4.767 1.00 0.00 C ATOM 293 CG GLU A 13 -0.184 -1.885 5.776 1.00 0.00 C ATOM 294 CD GLU A 13 -0.509 -1.183 7.080 1.00 0.00 C ATOM 295 OE1 GLU A 13 -1.601 -0.584 7.174 1.00 0.00 O ATOM 296 OE2 GLU A 13 0.327 -1.233 8.006 1.00 0.00 O ATOM 0 H GLU A 13 -1.093 -1.486 2.939 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.099 0.477 4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.894 -1.566 3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.320 -0.459 5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.101 -2.287 5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.471 -2.732 5.977 1.00 0.00 H new ATOM 303 N GLU A 14 0.925 1.009 2.416 1.00 0.00 N ATOM 304 CA GLU A 14 1.725 2.028 1.748 1.00 0.00 C ATOM 305 C GLU A 14 0.859 3.215 1.334 1.00 0.00 C ATOM 306 O GLU A 14 1.218 4.370 1.566 1.00 0.00 O ATOM 307 CB GLU A 14 2.422 1.438 0.520 1.00 0.00 C ATOM 308 CG GLU A 14 3.690 0.670 0.850 1.00 0.00 C ATOM 309 CD GLU A 14 4.704 1.512 1.599 1.00 0.00 C ATOM 310 OE1 GLU A 14 4.941 2.666 1.183 1.00 0.00 O ATOM 311 OE2 GLU A 14 5.262 1.017 2.601 1.00 0.00 O ATOM 0 H GLU A 14 0.856 0.127 1.909 1.00 0.00 H new ATOM 0 HA GLU A 14 2.480 2.379 2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.729 0.774 0.004 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.665 2.245 -0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.435 -0.204 1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.139 0.303 -0.073 1.00 0.00 H new ATOM 318 N LEU A 15 -0.282 2.921 0.721 1.00 0.00 N ATOM 319 CA LEU A 15 -1.200 3.963 0.274 1.00 0.00 C ATOM 320 C LEU A 15 -1.695 4.795 1.452 1.00 0.00 C ATOM 321 O LEU A 15 -1.785 6.019 1.364 1.00 0.00 O ATOM 322 CB LEU A 15 -2.389 3.341 -0.461 1.00 0.00 C ATOM 323 CG LEU A 15 -2.075 2.673 -1.800 1.00 0.00 C ATOM 324 CD1 LEU A 15 -3.253 1.831 -2.266 1.00 0.00 C ATOM 325 CD2 LEU A 15 -1.718 3.719 -2.847 1.00 0.00 C ATOM 0 H LEU A 15 -0.594 1.970 0.522 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.661 4.619 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.848 2.600 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.133 4.119 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.216 2.016 -1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.011 1.363 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.463 1.058 -1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.130 2.467 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.497 3.226 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.557 4.402 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.843 4.280 -2.518 1.00 0.00 H new ATOM 337 N GLN A 16 -2.012 4.122 2.554 1.00 0.00 N ATOM 338 CA GLN A 16 -2.496 4.801 3.750 1.00 0.00 C ATOM 339 C GLN A 16 -1.447 5.766 4.291 1.00 0.00 C ATOM 340 O GLN A 16 -1.762 6.898 4.660 1.00 0.00 O ATOM 341 CB GLN A 16 -2.868 3.779 4.826 1.00 0.00 C ATOM 342 CG GLN A 16 -4.299 3.277 4.719 1.00 0.00 C ATOM 343 CD GLN A 16 -4.880 2.880 6.062 1.00 0.00 C ATOM 344 OE1 GLN A 16 -4.543 1.831 6.611 1.00 0.00 O ATOM 345 NE2 GLN A 16 -5.759 3.718 6.598 1.00 0.00 N ATOM 0 H GLN A 16 -1.942 3.108 2.643 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.383 5.373 3.478 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.188 2.930 4.759 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.722 4.228 5.808 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.920 4.054 4.274 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.330 2.420 4.046 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.009 4.577 6.108 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.184 3.503 7.500 1.00 0.00 H new ATOM 354 N ARG A 17 -0.198 5.312 4.335 1.00 0.00 N ATOM 355 CA ARG A 17 0.897 6.135 4.832 1.00 0.00 C ATOM 356 C ARG A 17 1.068 7.387 3.976 1.00 0.00 C ATOM 357 O ARG A 17 1.406 8.456 4.484 1.00 0.00 O ATOM 358 CB ARG A 17 2.200 5.333 4.848 1.00 0.00 C ATOM 359 CG ARG A 17 3.429 6.174 5.151 1.00 0.00 C ATOM 360 CD ARG A 17 4.695 5.331 5.148 1.00 0.00 C ATOM 361 NE ARG A 17 5.719 5.878 6.034 1.00 0.00 N ATOM 362 CZ ARG A 17 6.506 6.897 5.708 1.00 0.00 C ATOM 363 NH1 ARG A 17 6.386 7.477 4.521 1.00 0.00 N ATOM 364 NH2 ARG A 17 7.414 7.338 6.569 1.00 0.00 N ATOM 0 H ARG A 17 0.080 4.378 4.032 1.00 0.00 H new ATOM 0 HA ARG A 17 0.655 6.442 5.850 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.120 4.541 5.592 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.331 4.849 3.880 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.518 6.969 4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.312 6.654 6.123 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.454 4.314 5.457 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.088 5.271 4.133 1.00 0.00 H new ATOM 0 HE ARG A 17 5.836 5.454 6.954 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.689 7.141 3.857 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.991 8.259 4.272 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.508 6.894 7.483 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.018 8.121 6.317 1.00 0.00 H new ATOM 378 N ARG A 18 0.834 7.245 2.676 1.00 0.00 N ATOM 379 CA ARG A 18 0.964 8.363 1.749 1.00 0.00 C ATOM 380 C ARG A 18 -0.304 9.212 1.741 1.00 0.00 C ATOM 381 O ARG A 18 -0.276 10.384 1.367 1.00 0.00 O ATOM 382 CB ARG A 18 1.257 7.852 0.338 1.00 0.00 C ATOM 383 CG ARG A 18 2.729 7.567 0.087 1.00 0.00 C ATOM 384 CD ARG A 18 2.983 7.178 -1.361 1.00 0.00 C ATOM 385 NE ARG A 18 4.325 7.550 -1.801 1.00 0.00 N ATOM 386 CZ ARG A 18 4.680 8.793 -2.107 1.00 0.00 C ATOM 387 NH1 ARG A 18 3.797 9.778 -2.021 1.00 0.00 N ATOM 388 NH2 ARG A 18 5.921 9.052 -2.500 1.00 0.00 N ATOM 0 H ARG A 18 0.553 6.367 2.240 1.00 0.00 H new ATOM 0 HA ARG A 18 1.795 8.984 2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.684 6.941 0.164 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.910 8.589 -0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.319 8.449 0.337 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.062 6.764 0.744 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.849 6.102 -1.476 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.245 7.661 -2.001 1.00 0.00 H new ATOM 0 HE ARG A 18 5.028 6.815 -1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.842 9.582 -1.719 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.072 10.732 -2.257 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.603 8.296 -2.567 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.193 10.007 -2.735 1.00 0.00 H new ATOM 402 N GLY A 19 -1.415 8.612 2.156 1.00 0.00 N ATOM 403 CA GLY A 19 -2.678 9.327 2.188 1.00 0.00 C ATOM 404 C GLY A 19 -3.474 9.155 0.909 1.00 0.00 C ATOM 405 O GLY A 19 -4.377 9.941 0.621 1.00 0.00 O ATOM 0 H GLY A 19 -1.463 7.643 2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.271 8.974 3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.488 10.387 2.354 1.00 0.00 H new ATOM 409 N LEU A 20 -3.140 8.124 0.141 1.00 0.00 N ATOM 410 CA LEU A 20 -3.829 7.851 -1.116 1.00 0.00 C ATOM 411 C LEU A 20 -4.985 6.879 -0.902 1.00 0.00 C ATOM 412 O LEU A 20 -4.935 6.025 -0.017 1.00 0.00 O ATOM 413 CB LEU A 20 -2.851 7.281 -2.144 1.00 0.00 C ATOM 414 CG LEU A 20 -1.715 8.209 -2.576 1.00 0.00 C ATOM 415 CD1 LEU A 20 -0.687 7.448 -3.399 1.00 0.00 C ATOM 416 CD2 LEU A 20 -2.262 9.391 -3.363 1.00 0.00 C ATOM 0 H LEU A 20 -2.396 7.463 0.366 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.233 8.791 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.414 6.371 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.415 6.992 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.223 8.590 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.114 8.125 -3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.272 6.636 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.165 7.037 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.440 10.041 -3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.780 9.029 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.959 9.952 -2.740 1.00 0.00 H new ATOM 428 N ASP A 21 -6.022 7.012 -1.721 1.00 0.00 N ATOM 429 CA ASP A 21 -7.189 6.143 -1.625 1.00 0.00 C ATOM 430 C ASP A 21 -6.769 4.685 -1.464 1.00 0.00 C ATOM 431 O ASP A 21 -5.824 4.225 -2.106 1.00 0.00 O ATOM 432 CB ASP A 21 -8.072 6.299 -2.864 1.00 0.00 C ATOM 433 CG ASP A 21 -9.505 5.875 -2.611 1.00 0.00 C ATOM 434 OD1 ASP A 21 -9.961 5.985 -1.453 1.00 0.00 O ATOM 435 OD2 ASP A 21 -10.171 5.435 -3.571 1.00 0.00 O ATOM 0 H ASP A 21 -6.078 7.714 -2.459 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.759 6.438 -0.744 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.056 7.339 -3.189 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.659 5.704 -3.678 1.00 0.00 H new ATOM 440 N THR A 22 -7.477 3.962 -0.603 1.00 0.00 N ATOM 441 CA THR A 22 -7.177 2.557 -0.356 1.00 0.00 C ATOM 442 C THR A 22 -8.323 1.661 -0.811 1.00 0.00 C ATOM 443 O THR A 22 -8.504 0.558 -0.296 1.00 0.00 O ATOM 444 CB THR A 22 -6.898 2.296 1.136 1.00 0.00 C ATOM 445 OG1 THR A 22 -7.855 2.991 1.943 1.00 0.00 O ATOM 446 CG2 THR A 22 -5.493 2.743 1.510 1.00 0.00 C ATOM 0 H THR A 22 -8.263 4.326 -0.064 1.00 0.00 H new ATOM 0 HA THR A 22 -6.283 2.319 -0.933 1.00 0.00 H new ATOM 0 HB THR A 22 -6.982 1.224 1.316 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.671 2.818 2.890 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.319 2.549 2.568 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.765 2.191 0.915 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.387 3.810 1.315 1.00 0.00 H new ATOM 454 N ARG A 23 -9.095 2.143 -1.780 1.00 0.00 N ATOM 455 CA ARG A 23 -10.225 1.385 -2.304 1.00 0.00 C ATOM 456 C ARG A 23 -9.880 0.755 -3.650 1.00 0.00 C ATOM 457 O ARG A 23 -9.004 1.238 -4.367 1.00 0.00 O ATOM 458 CB ARG A 23 -11.449 2.290 -2.451 1.00 0.00 C ATOM 459 CG ARG A 23 -11.861 2.974 -1.158 1.00 0.00 C ATOM 460 CD ARG A 23 -12.402 1.975 -0.148 1.00 0.00 C ATOM 461 NE ARG A 23 -13.778 1.586 -0.446 1.00 0.00 N ATOM 462 CZ ARG A 23 -14.546 0.899 0.392 1.00 0.00 C ATOM 463 NH1 ARG A 23 -14.075 0.528 1.575 1.00 0.00 N ATOM 464 NH2 ARG A 23 -15.788 0.582 0.048 1.00 0.00 N ATOM 0 H ARG A 23 -8.959 3.054 -2.218 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.454 0.587 -1.597 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.240 3.050 -3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.286 1.698 -2.821 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.004 3.496 -0.732 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.620 3.727 -1.369 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.768 1.088 -0.140 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.356 2.409 0.851 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.171 1.857 -1.348 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.121 0.770 1.843 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.667 0.000 2.217 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.154 0.866 -0.861 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.377 0.054 0.692 1.00 0.00 H new ATOM 478 N GLY A 24 -10.574 -0.327 -3.987 1.00 0.00 N ATOM 479 CA GLY A 24 -10.326 -1.006 -5.246 1.00 0.00 C ATOM 480 C GLY A 24 -9.580 -2.312 -5.063 1.00 0.00 C ATOM 481 O GLY A 24 -8.982 -2.552 -4.013 1.00 0.00 O ATOM 0 H GLY A 24 -11.304 -0.746 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.276 -1.201 -5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.751 -0.351 -5.901 1.00 0.00 H new ATOM 485 N LEU A 25 -9.615 -3.160 -6.085 1.00 0.00 N ATOM 486 CA LEU A 25 -8.938 -4.451 -6.032 1.00 0.00 C ATOM 487 C LEU A 25 -7.436 -4.270 -5.843 1.00 0.00 C ATOM 488 O LEU A 25 -6.915 -3.160 -5.946 1.00 0.00 O ATOM 489 CB LEU A 25 -9.210 -5.245 -7.311 1.00 0.00 C ATOM 490 CG LEU A 25 -10.678 -5.548 -7.613 1.00 0.00 C ATOM 491 CD1 LEU A 25 -10.846 -5.989 -9.059 1.00 0.00 C ATOM 492 CD2 LEU A 25 -11.210 -6.612 -6.664 1.00 0.00 C ATOM 0 H LEU A 25 -10.105 -2.977 -6.961 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.330 -5.004 -5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.793 -4.693 -8.153 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.670 -6.190 -7.250 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.255 -4.635 -7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.897 -6.200 -9.255 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.505 -5.195 -9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.256 -6.888 -9.236 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.256 -6.815 -6.894 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.629 -7.527 -6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.126 -6.258 -5.637 1.00 0.00 H new ATOM 504 N LYS A 26 -6.743 -5.370 -5.566 1.00 0.00 N ATOM 505 CA LYS A 26 -5.299 -5.335 -5.366 1.00 0.00 C ATOM 506 C LYS A 26 -4.602 -4.664 -6.545 1.00 0.00 C ATOM 507 O LYS A 26 -3.787 -3.760 -6.363 1.00 0.00 O ATOM 508 CB LYS A 26 -4.755 -6.753 -5.178 1.00 0.00 C ATOM 509 CG LYS A 26 -3.255 -6.804 -4.947 1.00 0.00 C ATOM 510 CD LYS A 26 -2.669 -8.139 -5.375 1.00 0.00 C ATOM 511 CE LYS A 26 -1.176 -8.033 -5.643 1.00 0.00 C ATOM 512 NZ LYS A 26 -0.596 -9.334 -6.077 1.00 0.00 N ATOM 0 H LYS A 26 -7.159 -6.297 -5.475 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.096 -4.752 -4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.260 -7.218 -4.331 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.999 -7.346 -6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.773 -5.999 -5.502 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.043 -6.634 -3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.848 -8.882 -4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.177 -8.489 -6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.998 -7.281 -6.412 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.668 -7.692 -4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.213 -9.160 -6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.277 -9.867 -5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.318 -9.884 -6.584 1.00 0.00 H new ATOM 526 N ALA A 27 -4.929 -5.110 -7.753 1.00 0.00 N ATOM 527 CA ALA A 27 -4.337 -4.550 -8.961 1.00 0.00 C ATOM 528 C ALA A 27 -4.494 -3.034 -8.996 1.00 0.00 C ATOM 529 O ALA A 27 -3.542 -2.309 -9.285 1.00 0.00 O ATOM 530 CB ALA A 27 -4.966 -5.177 -10.196 1.00 0.00 C ATOM 0 H ALA A 27 -5.601 -5.858 -7.921 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.271 -4.779 -8.954 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.514 -4.749 -11.091 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.797 -6.254 -10.183 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.038 -4.978 -10.200 1.00 0.00 H new ATOM 536 N GLU A 28 -5.701 -2.561 -8.702 1.00 0.00 N ATOM 537 CA GLU A 28 -5.981 -1.130 -8.703 1.00 0.00 C ATOM 538 C GLU A 28 -5.112 -0.405 -7.679 1.00 0.00 C ATOM 539 O GLU A 28 -4.561 0.660 -7.959 1.00 0.00 O ATOM 540 CB GLU A 28 -7.460 -0.877 -8.403 1.00 0.00 C ATOM 541 CG GLU A 28 -8.362 -1.036 -9.615 1.00 0.00 C ATOM 542 CD GLU A 28 -8.245 0.122 -10.586 1.00 0.00 C ATOM 543 OE1 GLU A 28 -7.108 0.447 -10.988 1.00 0.00 O ATOM 544 OE2 GLU A 28 -9.291 0.704 -10.945 1.00 0.00 O ATOM 0 H GLU A 28 -6.500 -3.147 -8.460 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.747 -0.741 -9.694 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.787 -1.566 -7.624 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.574 0.131 -8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.112 -1.964 -10.130 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.397 -1.124 -9.284 1.00 0.00 H new ATOM 551 N LEU A 29 -4.996 -0.989 -6.492 1.00 0.00 N ATOM 552 CA LEU A 29 -4.195 -0.400 -5.424 1.00 0.00 C ATOM 553 C LEU A 29 -2.715 -0.394 -5.794 1.00 0.00 C ATOM 554 O LEU A 29 -2.002 0.573 -5.526 1.00 0.00 O ATOM 555 CB LEU A 29 -4.402 -1.170 -4.119 1.00 0.00 C ATOM 556 CG LEU A 29 -5.818 -1.144 -3.543 1.00 0.00 C ATOM 557 CD1 LEU A 29 -5.958 -2.166 -2.425 1.00 0.00 C ATOM 558 CD2 LEU A 29 -6.164 0.250 -3.040 1.00 0.00 C ATOM 0 H LEU A 29 -5.446 -1.870 -6.244 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.521 0.631 -5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.117 -2.209 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.719 -0.768 -3.371 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.517 -1.406 -4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.972 -2.133 -2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.753 -3.163 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.249 -1.935 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.175 0.250 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.460 0.541 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.105 0.960 -3.865 1.00 0.00 H new ATOM 570 N ALA A 30 -2.260 -1.478 -6.414 1.00 0.00 N ATOM 571 CA ALA A 30 -0.867 -1.595 -6.825 1.00 0.00 C ATOM 572 C ALA A 30 -0.493 -0.500 -7.817 1.00 0.00 C ATOM 573 O ALA A 30 0.547 0.144 -7.682 1.00 0.00 O ATOM 574 CB ALA A 30 -0.608 -2.968 -7.428 1.00 0.00 C ATOM 0 H ALA A 30 -2.837 -2.288 -6.643 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.242 -1.475 -5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.437 -3.041 -7.731 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.826 -3.738 -6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.249 -3.110 -8.298 1.00 0.00 H new ATOM 580 N GLU A 31 -1.348 -0.294 -8.814 1.00 0.00 N ATOM 581 CA GLU A 31 -1.105 0.723 -9.830 1.00 0.00 C ATOM 582 C GLU A 31 -1.084 2.117 -9.210 1.00 0.00 C ATOM 583 O GLU A 31 -0.265 2.960 -9.579 1.00 0.00 O ATOM 584 CB GLU A 31 -2.177 0.654 -10.920 1.00 0.00 C ATOM 585 CG GLU A 31 -2.201 -0.670 -11.667 1.00 0.00 C ATOM 586 CD GLU A 31 -1.244 -0.694 -12.843 1.00 0.00 C ATOM 587 OE1 GLU A 31 -0.172 -0.061 -12.749 1.00 0.00 O ATOM 588 OE2 GLU A 31 -1.568 -1.346 -13.857 1.00 0.00 O ATOM 0 H GLU A 31 -2.214 -0.818 -8.940 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.130 0.528 -10.277 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.154 0.824 -10.468 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.010 1.461 -11.633 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.945 -1.476 -10.979 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.213 -0.864 -12.023 1.00 0.00 H new ATOM 595 N ARG A 32 -1.990 2.353 -8.267 1.00 0.00 N ATOM 596 CA ARG A 32 -2.078 3.644 -7.597 1.00 0.00 C ATOM 597 C ARG A 32 -0.814 3.925 -6.790 1.00 0.00 C ATOM 598 O ARG A 32 -0.282 5.036 -6.814 1.00 0.00 O ATOM 599 CB ARG A 32 -3.301 3.685 -6.680 1.00 0.00 C ATOM 600 CG ARG A 32 -3.376 4.935 -5.819 1.00 0.00 C ATOM 601 CD ARG A 32 -4.643 4.959 -4.979 1.00 0.00 C ATOM 602 NE ARG A 32 -5.100 6.321 -4.716 1.00 0.00 N ATOM 603 CZ ARG A 32 -5.466 7.170 -5.670 1.00 0.00 C ATOM 604 NH1 ARG A 32 -5.429 6.799 -6.943 1.00 0.00 N ATOM 605 NH2 ARG A 32 -5.871 8.393 -5.352 1.00 0.00 N ATOM 0 H ARG A 32 -2.674 1.666 -7.950 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.180 4.415 -8.361 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.203 3.619 -7.288 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.288 2.808 -6.032 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.505 4.981 -5.166 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.344 5.819 -6.456 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.429 4.406 -5.493 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.460 4.449 -4.033 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.140 6.638 -3.747 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.119 5.860 -7.192 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.711 7.453 -7.673 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.901 8.682 -4.374 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.152 9.044 -6.085 1.00 0.00 H new ATOM 619 N LEU A 33 -0.338 2.911 -6.075 1.00 0.00 N ATOM 620 CA LEU A 33 0.864 3.048 -5.259 1.00 0.00 C ATOM 621 C LEU A 33 2.091 3.290 -6.133 1.00 0.00 C ATOM 622 O LEU A 33 2.918 4.150 -5.833 1.00 0.00 O ATOM 623 CB LEU A 33 1.071 1.795 -4.406 1.00 0.00 C ATOM 624 CG LEU A 33 2.403 1.703 -3.661 1.00 0.00 C ATOM 625 CD1 LEU A 33 2.541 2.849 -2.671 1.00 0.00 C ATOM 626 CD2 LEU A 33 2.523 0.363 -2.948 1.00 0.00 C ATOM 0 H LEU A 33 -0.766 1.986 -6.044 1.00 0.00 H new ATOM 0 HA LEU A 33 0.732 3.909 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.264 1.740 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.977 0.921 -5.051 1.00 0.00 H new ATOM 0 HG LEU A 33 3.211 1.779 -4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.495 2.767 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.500 3.798 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.727 2.804 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.477 0.314 -2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.708 0.258 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.470 -0.444 -3.679 1.00 0.00 H new ATOM 638 N GLN A 34 2.200 2.527 -7.216 1.00 0.00 N ATOM 639 CA GLN A 34 3.325 2.660 -8.134 1.00 0.00 C ATOM 640 C GLN A 34 3.350 4.047 -8.765 1.00 0.00 C ATOM 641 O GLN A 34 4.409 4.663 -8.892 1.00 0.00 O ATOM 642 CB GLN A 34 3.249 1.591 -9.225 1.00 0.00 C ATOM 643 CG GLN A 34 4.591 1.282 -9.869 1.00 0.00 C ATOM 644 CD GLN A 34 5.547 0.586 -8.921 1.00 0.00 C ATOM 645 OE1 GLN A 34 5.307 0.523 -7.715 1.00 0.00 O ATOM 646 NE2 GLN A 34 6.639 0.059 -9.462 1.00 0.00 N ATOM 0 H GLN A 34 1.523 1.811 -7.479 1.00 0.00 H new ATOM 0 HA GLN A 34 4.245 2.523 -7.565 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.841 0.675 -8.797 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.552 1.920 -9.996 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.433 0.654 -10.746 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.044 2.210 -10.219 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.798 0.135 -10.467 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.319 -0.422 -8.873 1.00 0.00 H new ATOM 655 N ALA A 35 2.178 4.534 -9.160 1.00 0.00 N ATOM 656 CA ALA A 35 2.067 5.850 -9.777 1.00 0.00 C ATOM 657 C ALA A 35 2.649 6.932 -8.874 1.00 0.00 C ATOM 658 O ALA A 35 3.363 7.821 -9.335 1.00 0.00 O ATOM 659 CB ALA A 35 0.613 6.158 -10.103 1.00 0.00 C ATOM 0 H ALA A 35 1.292 4.037 -9.064 1.00 0.00 H new ATOM 0 HA ALA A 35 2.642 5.839 -10.703 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.544 7.144 -10.563 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.228 5.407 -10.793 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.024 6.144 -9.186 1.00 0.00 H new ATOM 665 N ALA A 36 2.339 6.849 -7.584 1.00 0.00 N ATOM 666 CA ALA A 36 2.833 7.820 -6.616 1.00 0.00 C ATOM 667 C ALA A 36 4.335 7.666 -6.401 1.00 0.00 C ATOM 668 O ALA A 36 5.061 8.654 -6.289 1.00 0.00 O ATOM 669 CB ALA A 36 2.091 7.673 -5.296 1.00 0.00 C ATOM 0 H ALA A 36 1.748 6.119 -7.186 1.00 0.00 H new ATOM 0 HA ALA A 36 2.650 8.818 -7.014 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.470 8.404 -4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.026 7.841 -5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.245 6.668 -4.902 1.00 0.00 H new ATOM 675 N LEU A 37 4.794 6.421 -6.343 1.00 0.00 N ATOM 676 CA LEU A 37 6.211 6.137 -6.140 1.00 0.00 C ATOM 677 C LEU A 37 7.052 6.735 -7.263 1.00 0.00 C ATOM 678 O LEU A 37 8.057 7.400 -7.013 1.00 0.00 O ATOM 679 CB LEU A 37 6.443 4.627 -6.062 1.00 0.00 C ATOM 680 CG LEU A 37 6.037 3.952 -4.752 1.00 0.00 C ATOM 681 CD1 LEU A 37 6.002 2.440 -4.918 1.00 0.00 C ATOM 682 CD2 LEU A 37 6.989 4.345 -3.632 1.00 0.00 C ATOM 0 H LEU A 37 4.206 5.592 -6.434 1.00 0.00 H new ATOM 0 HA LEU A 37 6.517 6.594 -5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.895 4.153 -6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.502 4.433 -6.234 1.00 0.00 H new ATOM 0 HG LEU A 37 5.036 4.291 -4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.711 1.977 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.280 2.175 -5.690 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.990 2.083 -5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.685 3.855 -2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.002 4.036 -3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.964 5.426 -3.495 1.00 0.00 H new ATOM 694 N SER A 38 6.633 6.495 -8.501 1.00 0.00 N ATOM 695 CA SER A 38 7.349 7.009 -9.664 1.00 0.00 C ATOM 696 C SER A 38 7.773 8.458 -9.443 1.00 0.00 C ATOM 697 O SER A 38 6.945 9.324 -9.165 1.00 0.00 O ATOM 698 CB SER A 38 6.474 6.906 -10.914 1.00 0.00 C ATOM 699 OG SER A 38 6.388 5.567 -11.368 1.00 0.00 O ATOM 0 H SER A 38 5.802 5.948 -8.725 1.00 0.00 H new ATOM 0 HA SER A 38 8.245 6.404 -9.806 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.475 7.284 -10.695 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.886 7.535 -11.703 1.00 0.00 H new ATOM 0 HG SER A 38 5.817 5.052 -10.761 1.00 0.00 H new ATOM 705 N GLY A 39 9.072 8.713 -9.570 1.00 0.00 N ATOM 706 CA GLY A 39 9.586 10.057 -9.382 1.00 0.00 C ATOM 707 C GLY A 39 8.787 11.095 -10.145 1.00 0.00 C ATOM 708 O GLY A 39 8.222 10.819 -11.203 1.00 0.00 O ATOM 0 H GLY A 39 9.777 8.013 -9.800 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.574 10.302 -8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.626 10.094 -9.706 1.00 0.00 H new ATOM 712 N PRO A 40 8.732 12.321 -9.603 1.00 0.00 N ATOM 713 CA PRO A 40 7.999 13.428 -10.223 1.00 0.00 C ATOM 714 C PRO A 40 8.663 13.918 -11.506 1.00 0.00 C ATOM 715 O PRO A 40 9.883 14.073 -11.564 1.00 0.00 O ATOM 716 CB PRO A 40 8.033 14.521 -9.152 1.00 0.00 C ATOM 717 CG PRO A 40 9.246 14.218 -8.341 1.00 0.00 C ATOM 718 CD PRO A 40 9.382 12.720 -8.344 1.00 0.00 C ATOM 0 HA PRO A 40 6.992 13.134 -10.519 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.094 15.513 -9.600 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.132 14.503 -8.539 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.130 14.691 -8.769 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.141 14.598 -7.325 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.427 12.411 -8.316 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.894 12.270 -7.480 1.00 0.00 H new ATOM 726 N SER A 41 7.853 14.160 -12.531 1.00 0.00 N ATOM 727 CA SER A 41 8.364 14.629 -13.814 1.00 0.00 C ATOM 728 C SER A 41 7.225 15.106 -14.710 1.00 0.00 C ATOM 729 O SER A 41 6.265 14.376 -14.955 1.00 0.00 O ATOM 730 CB SER A 41 9.146 13.515 -14.514 1.00 0.00 C ATOM 731 OG SER A 41 8.288 12.456 -14.901 1.00 0.00 O ATOM 0 H SER A 41 6.841 14.039 -12.499 1.00 0.00 H new ATOM 0 HA SER A 41 9.032 15.469 -13.626 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.651 13.917 -15.392 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.920 13.135 -13.847 1.00 0.00 H new ATOM 0 HG SER A 41 7.373 12.794 -14.993 1.00 0.00 H new ATOM 737 N SER A 42 7.340 16.338 -15.197 1.00 0.00 N ATOM 738 CA SER A 42 6.318 16.916 -16.063 1.00 0.00 C ATOM 739 C SER A 42 6.916 17.993 -16.963 1.00 0.00 C ATOM 740 O SER A 42 8.100 18.313 -16.866 1.00 0.00 O ATOM 741 CB SER A 42 5.183 17.507 -15.225 1.00 0.00 C ATOM 742 OG SER A 42 4.230 16.515 -14.885 1.00 0.00 O ATOM 0 H SER A 42 8.130 16.955 -15.007 1.00 0.00 H new ATOM 0 HA SER A 42 5.918 16.121 -16.693 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.590 17.951 -14.317 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.696 18.308 -15.780 1.00 0.00 H new ATOM 0 HG SER A 42 4.664 15.636 -14.870 1.00 0.00 H new ATOM 748 N GLY A 43 6.086 18.550 -17.840 1.00 0.00 N ATOM 749 CA GLY A 43 6.549 19.586 -18.745 1.00 0.00 C ATOM 750 C GLY A 43 6.625 19.108 -20.181 1.00 0.00 C ATOM 751 O GLY A 43 5.866 18.231 -20.592 1.00 0.00 O ATOM 0 H GLY A 43 5.102 18.302 -17.940 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.878 20.443 -18.685 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.533 19.929 -18.427 1.00 0.00 H new TER 755 GLY A 43