USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 559 hydrogens (19 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 NoAdj-H: B 9 M3L H2 : B 9 M3L N : B 8 ARG C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 144:sc= 0.841 (180deg=0.562) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.0135 F(o=-1.4!,f=-0.013) USER MOD Single : A 17 LYS NZ :NH3+ -157:sc= 0.779 (180deg=0.463) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= -0.0103 (180deg=-0.0972) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00979 USER MOD Single : A 32 ASN :FLIP amide:sc= -3.26! F(o=-3.9,f=-3.3!) USER MOD Single : A 33 THR OG1 : rot 114:sc= 0.762 USER MOD Single : A 39 ASN : amide:sc= -0.719 K(o=-0.72,f=-4.6!) USER MOD Single : A 42 CYS SG : rot 16:sc= -1.79! USER MOD Single : A 51 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.6) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0548) USER MOD Single : B 1 ALA N :NH3+ 137:sc= 0.0523 (180deg=0) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 1.16 (180deg=1.16) USER MOD Single : B 5 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.44) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 10 SER OG : rot 180:sc=-0.00909 USER MOD Single : B 11 THR OG1 : rot -1:sc= 0.786 USER MOD Single : B 14 LYS NZ :NH3+ 171:sc= 1.05 (180deg=0.997) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.991 1.151 3.244 1.00 0.00 N ATOM 2 CA GLY A 1 4.035 2.524 2.677 1.00 0.00 C ATOM 3 C GLY A 1 5.040 2.633 1.533 1.00 0.00 C ATOM 4 O GLY A 1 5.883 3.521 1.515 1.00 0.00 O ATOM 0 H1 GLY A 1 3.841 1.204 4.272 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.211 0.620 2.807 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.891 0.667 3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.044 2.801 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.299 3.233 3.462 1.00 0.00 H new ATOM 10 N GLU A 2 4.924 1.719 0.569 1.00 0.00 N ATOM 11 CA GLU A 2 5.922 1.521 -0.498 1.00 0.00 C ATOM 12 C GLU A 2 5.703 2.560 -1.607 1.00 0.00 C ATOM 13 O GLU A 2 4.610 2.624 -2.181 1.00 0.00 O ATOM 14 CB GLU A 2 5.807 0.069 -1.063 1.00 0.00 C ATOM 15 CG GLU A 2 6.167 -1.069 -0.071 1.00 0.00 C ATOM 16 CD GLU A 2 5.364 -1.071 1.248 1.00 0.00 C ATOM 17 OE1 GLU A 2 4.118 -1.166 1.193 1.00 0.00 O ATOM 18 OE2 GLU A 2 5.959 -0.900 2.336 1.00 0.00 O ATOM 0 H GLU A 2 4.128 1.085 0.501 1.00 0.00 H new ATOM 0 HA GLU A 2 6.925 1.654 -0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.786 -0.086 -1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.456 -0.015 -1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.016 -2.026 -0.571 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.228 -0.998 0.169 1.00 0.00 H new ATOM 25 N PHE A 3 6.733 3.376 -1.882 1.00 0.00 N ATOM 26 CA PHE A 3 6.691 4.413 -2.928 1.00 0.00 C ATOM 27 C PHE A 3 8.036 4.448 -3.676 1.00 0.00 C ATOM 28 O PHE A 3 9.073 4.075 -3.121 1.00 0.00 O ATOM 29 CB PHE A 3 6.364 5.800 -2.295 1.00 0.00 C ATOM 30 CG PHE A 3 6.011 6.887 -3.317 1.00 0.00 C ATOM 31 CD1 PHE A 3 4.730 6.959 -3.856 1.00 0.00 C ATOM 32 CD2 PHE A 3 6.960 7.815 -3.755 1.00 0.00 C ATOM 33 CE1 PHE A 3 4.406 7.921 -4.791 1.00 0.00 C ATOM 34 CE2 PHE A 3 6.636 8.772 -4.695 1.00 0.00 C ATOM 35 CZ PHE A 3 5.357 8.826 -5.212 1.00 0.00 C ATOM 0 H PHE A 3 7.622 3.336 -1.384 1.00 0.00 H new ATOM 0 HA PHE A 3 5.904 4.176 -3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 3 5.531 5.684 -1.602 1.00 0.00 H new ATOM 0 HB3 PHE A 3 7.222 6.131 -1.710 1.00 0.00 H new ATOM 0 HD1 PHE A 3 3.978 6.252 -3.538 1.00 0.00 H new ATOM 0 HD2 PHE A 3 7.961 7.783 -3.352 1.00 0.00 H new ATOM 0 HE1 PHE A 3 3.405 7.965 -5.194 1.00 0.00 H new ATOM 0 HE2 PHE A 3 7.383 9.479 -5.026 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.102 9.576 -5.946 1.00 0.00 H new ATOM 45 N VAL A 4 8.010 4.907 -4.938 1.00 0.00 N ATOM 46 CA VAL A 4 9.212 5.004 -5.783 1.00 0.00 C ATOM 47 C VAL A 4 10.059 6.237 -5.398 1.00 0.00 C ATOM 48 O VAL A 4 9.609 7.385 -5.522 1.00 0.00 O ATOM 49 CB VAL A 4 8.842 5.065 -7.310 1.00 0.00 C ATOM 50 CG1 VAL A 4 10.105 5.174 -8.207 1.00 0.00 C ATOM 51 CG2 VAL A 4 7.975 3.849 -7.721 1.00 0.00 C ATOM 0 H VAL A 4 7.157 5.221 -5.401 1.00 0.00 H new ATOM 0 HA VAL A 4 9.800 4.103 -5.610 1.00 0.00 H new ATOM 0 HB VAL A 4 8.255 5.970 -7.464 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.805 5.214 -9.254 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.655 6.080 -7.953 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.743 4.305 -8.045 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.733 3.916 -8.782 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.527 2.928 -7.532 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.054 3.846 -7.139 1.00 0.00 H new ATOM 61 N VAL A 5 11.284 5.974 -4.932 1.00 0.00 N ATOM 62 CA VAL A 5 12.275 7.012 -4.595 1.00 0.00 C ATOM 63 C VAL A 5 13.189 7.307 -5.806 1.00 0.00 C ATOM 64 O VAL A 5 13.553 6.404 -6.573 1.00 0.00 O ATOM 65 CB VAL A 5 13.125 6.603 -3.328 1.00 0.00 C ATOM 66 CG1 VAL A 5 13.731 5.191 -3.465 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.226 7.648 -3.009 1.00 0.00 C ATOM 0 H VAL A 5 11.623 5.025 -4.775 1.00 0.00 H new ATOM 0 HA VAL A 5 11.734 7.925 -4.347 1.00 0.00 H new ATOM 0 HB VAL A 5 12.432 6.582 -2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.307 4.954 -2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.930 4.461 -3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.385 5.159 -4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.787 7.329 -2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.902 7.736 -3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.764 8.615 -2.812 1.00 0.00 H new ATOM 77 N GLU A 6 13.525 8.596 -5.967 1.00 0.00 N ATOM 78 CA GLU A 6 14.440 9.084 -6.999 1.00 0.00 C ATOM 79 C GLU A 6 15.912 8.850 -6.585 1.00 0.00 C ATOM 80 O GLU A 6 16.658 8.177 -7.305 1.00 0.00 O ATOM 81 CB GLU A 6 14.166 10.589 -7.270 1.00 0.00 C ATOM 82 CG GLU A 6 15.106 11.262 -8.288 1.00 0.00 C ATOM 83 CD GLU A 6 15.097 10.592 -9.671 1.00 0.00 C ATOM 84 OE1 GLU A 6 14.139 10.811 -10.451 1.00 0.00 O ATOM 85 OE2 GLU A 6 16.031 9.823 -9.985 1.00 0.00 O ATOM 0 H GLU A 6 13.159 9.338 -5.371 1.00 0.00 H new ATOM 0 HA GLU A 6 14.267 8.526 -7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.140 10.696 -7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.236 11.129 -6.326 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.819 12.308 -8.398 1.00 0.00 H new ATOM 0 HG3 GLU A 6 16.122 11.250 -7.894 1.00 0.00 H new ATOM 92 N LYS A 7 16.321 9.407 -5.420 1.00 0.00 N ATOM 93 CA LYS A 7 17.727 9.349 -4.952 1.00 0.00 C ATOM 94 C LYS A 7 17.840 9.619 -3.437 1.00 0.00 C ATOM 95 O LYS A 7 16.870 10.026 -2.789 1.00 0.00 O ATOM 96 CB LYS A 7 18.615 10.361 -5.730 1.00 0.00 C ATOM 97 CG LYS A 7 18.192 11.846 -5.577 1.00 0.00 C ATOM 98 CD LYS A 7 19.226 12.827 -6.186 1.00 0.00 C ATOM 99 CE LYS A 7 20.601 12.762 -5.477 1.00 0.00 C ATOM 100 NZ LYS A 7 21.589 13.686 -6.080 1.00 0.00 N ATOM 0 H LYS A 7 15.695 9.903 -4.785 1.00 0.00 H new ATOM 0 HA LYS A 7 18.082 8.337 -5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.646 10.254 -5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.598 10.100 -6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.226 11.996 -6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.059 12.075 -4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 7 19.356 12.600 -7.244 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.837 13.843 -6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.475 13.006 -4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 7 20.984 11.743 -5.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 22.493 13.607 -5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 21.731 13.438 -7.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.238 14.663 -6.012 1.00 0.00 H new ATOM 114 N VAL A 8 19.049 9.365 -2.898 1.00 0.00 N ATOM 115 CA VAL A 8 19.432 9.728 -1.522 1.00 0.00 C ATOM 116 C VAL A 8 20.097 11.122 -1.531 1.00 0.00 C ATOM 117 O VAL A 8 20.869 11.448 -2.440 1.00 0.00 O ATOM 118 CB VAL A 8 20.430 8.684 -0.888 1.00 0.00 C ATOM 119 CG1 VAL A 8 20.742 9.029 0.589 1.00 0.00 C ATOM 120 CG2 VAL A 8 19.910 7.228 -1.025 1.00 0.00 C ATOM 0 H VAL A 8 19.794 8.897 -3.413 1.00 0.00 H new ATOM 0 HA VAL A 8 18.526 9.734 -0.916 1.00 0.00 H new ATOM 0 HB VAL A 8 21.361 8.749 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.432 8.291 0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.195 10.019 0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 8 19.818 9.021 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.628 6.542 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.951 7.135 -0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.786 6.984 -2.080 1.00 0.00 H new ATOM 130 N LEU A 9 19.799 11.923 -0.502 1.00 0.00 N ATOM 131 CA LEU A 9 20.286 13.305 -0.352 1.00 0.00 C ATOM 132 C LEU A 9 21.278 13.410 0.818 1.00 0.00 C ATOM 133 O LEU A 9 22.243 14.182 0.757 1.00 0.00 O ATOM 134 CB LEU A 9 19.086 14.257 -0.109 1.00 0.00 C ATOM 135 CG LEU A 9 17.978 14.258 -1.209 1.00 0.00 C ATOM 136 CD1 LEU A 9 16.772 15.119 -0.782 1.00 0.00 C ATOM 137 CD2 LEU A 9 18.540 14.716 -2.579 1.00 0.00 C ATOM 0 H LEU A 9 19.200 11.625 0.268 1.00 0.00 H new ATOM 0 HA LEU A 9 20.802 13.593 -1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 9 18.625 13.992 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.469 15.272 -0.006 1.00 0.00 H new ATOM 0 HG LEU A 9 17.629 13.232 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.016 15.101 -1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.348 14.720 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.099 16.146 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 9 17.742 14.705 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 9 18.938 15.727 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.335 14.039 -2.891 1.00 0.00 H new ATOM 149 N ASP A 10 21.020 12.623 1.884 1.00 0.00 N ATOM 150 CA ASP A 10 21.779 12.694 3.153 1.00 0.00 C ATOM 151 C ASP A 10 21.649 11.360 3.915 1.00 0.00 C ATOM 152 O ASP A 10 20.806 10.528 3.576 1.00 0.00 O ATOM 153 CB ASP A 10 21.270 13.892 4.014 1.00 0.00 C ATOM 154 CG ASP A 10 22.142 14.232 5.244 1.00 0.00 C ATOM 155 OD1 ASP A 10 23.388 14.157 5.146 1.00 0.00 O ATOM 156 OD2 ASP A 10 21.589 14.625 6.293 1.00 0.00 O ATOM 0 H ASP A 10 20.280 11.921 1.890 1.00 0.00 H new ATOM 0 HA ASP A 10 22.834 12.860 2.937 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.206 14.775 3.378 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.259 13.671 4.355 1.00 0.00 H new ATOM 161 N ARG A 11 22.521 11.149 4.910 1.00 0.00 N ATOM 162 CA ARG A 11 22.551 9.923 5.737 1.00 0.00 C ATOM 163 C ARG A 11 22.642 10.297 7.230 1.00 0.00 C ATOM 164 O ARG A 11 23.127 11.377 7.578 1.00 0.00 O ATOM 165 CB ARG A 11 23.765 9.064 5.310 1.00 0.00 C ATOM 166 CG ARG A 11 23.977 7.747 6.087 1.00 0.00 C ATOM 167 CD ARG A 11 25.256 7.013 5.653 1.00 0.00 C ATOM 168 NE ARG A 11 25.562 5.871 6.526 1.00 0.00 N ATOM 169 CZ ARG A 11 26.463 5.866 7.528 1.00 0.00 C ATOM 170 NH1 ARG A 11 27.134 6.972 7.852 1.00 0.00 N ATOM 171 NH2 ARG A 11 26.675 4.748 8.204 1.00 0.00 N ATOM 0 H ARG A 11 23.235 11.829 5.171 1.00 0.00 H new ATOM 0 HA ARG A 11 21.636 9.349 5.589 1.00 0.00 H new ATOM 0 HB2 ARG A 11 23.659 8.824 4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 11 24.665 9.670 5.411 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.028 7.962 7.154 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.117 7.095 5.934 1.00 0.00 H new ATOM 0 HD2 ARG A 11 25.142 6.664 4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 11 26.094 7.710 5.662 1.00 0.00 H new ATOM 0 HE ARG A 11 25.047 5.006 6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 11 26.968 7.838 7.339 1.00 0.00 H new ATOM 0 HH12 ARG A 11 27.813 6.952 8.613 1.00 0.00 H new ATOM 0 HH21 ARG A 11 26.159 3.902 7.965 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.355 4.733 8.964 1.00 0.00 H new ATOM 185 N ARG A 12 22.149 9.395 8.098 1.00 0.00 N ATOM 186 CA ARG A 12 22.246 9.524 9.564 1.00 0.00 C ATOM 187 C ARG A 12 22.396 8.124 10.189 1.00 0.00 C ATOM 188 O ARG A 12 22.082 7.107 9.549 1.00 0.00 O ATOM 189 CB ARG A 12 20.979 10.231 10.141 1.00 0.00 C ATOM 190 CG ARG A 12 19.720 9.332 10.215 1.00 0.00 C ATOM 191 CD ARG A 12 18.448 10.097 10.601 1.00 0.00 C ATOM 192 NE ARG A 12 18.547 10.788 11.894 1.00 0.00 N ATOM 193 CZ ARG A 12 17.677 11.714 12.332 1.00 0.00 C ATOM 194 NH1 ARG A 12 16.650 12.110 11.580 1.00 0.00 N ATOM 195 NH2 ARG A 12 17.857 12.259 13.518 1.00 0.00 N ATOM 0 H ARG A 12 21.667 8.547 7.799 1.00 0.00 H new ATOM 0 HA ARG A 12 23.117 10.131 9.808 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.207 10.598 11.142 1.00 0.00 H new ATOM 0 HB3 ARG A 12 20.753 11.102 9.526 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.568 8.853 9.248 1.00 0.00 H new ATOM 0 HG3 ARG A 12 19.892 8.538 10.941 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.224 10.828 9.824 1.00 0.00 H new ATOM 0 HD3 ARG A 12 17.611 9.400 10.634 1.00 0.00 H new ATOM 0 HE ARG A 12 19.331 10.548 12.501 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.513 11.709 10.652 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.002 12.814 11.932 1.00 0.00 H new ATOM 0 HH21 ARG A 12 18.650 11.977 14.094 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.203 12.963 13.860 1.00 0.00 H new ATOM 209 N VAL A 13 22.873 8.086 11.436 1.00 0.00 N ATOM 210 CA VAL A 13 22.881 6.877 12.277 1.00 0.00 C ATOM 211 C VAL A 13 21.987 7.136 13.502 1.00 0.00 C ATOM 212 O VAL A 13 22.178 8.129 14.215 1.00 0.00 O ATOM 213 CB VAL A 13 24.334 6.470 12.742 1.00 0.00 C ATOM 214 CG1 VAL A 13 24.305 5.235 13.694 1.00 0.00 C ATOM 215 CG2 VAL A 13 25.259 6.209 11.521 1.00 0.00 C ATOM 0 H VAL A 13 23.271 8.903 11.900 1.00 0.00 H new ATOM 0 HA VAL A 13 22.501 6.044 11.685 1.00 0.00 H new ATOM 0 HB VAL A 13 24.745 7.309 13.304 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.322 4.983 13.994 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.714 5.471 14.579 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.859 4.386 13.176 1.00 0.00 H new ATOM 0 HG21 VAL A 13 26.253 5.931 11.871 1.00 0.00 H new ATOM 0 HG22 VAL A 13 24.846 5.400 10.918 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.327 7.113 10.916 1.00 0.00 H new ATOM 225 N VAL A 14 20.987 6.264 13.710 1.00 0.00 N ATOM 226 CA VAL A 14 20.087 6.318 14.874 1.00 0.00 C ATOM 227 C VAL A 14 20.363 5.086 15.750 1.00 0.00 C ATOM 228 O VAL A 14 20.045 3.966 15.348 1.00 0.00 O ATOM 229 CB VAL A 14 18.571 6.376 14.445 1.00 0.00 C ATOM 230 CG1 VAL A 14 17.633 6.513 15.673 1.00 0.00 C ATOM 231 CG2 VAL A 14 18.328 7.515 13.424 1.00 0.00 C ATOM 0 H VAL A 14 20.779 5.497 13.071 1.00 0.00 H new ATOM 0 HA VAL A 14 20.282 7.232 15.436 1.00 0.00 H new ATOM 0 HB VAL A 14 18.331 5.430 13.959 1.00 0.00 H new ATOM 0 HG11 VAL A 14 16.597 6.550 15.337 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.770 5.657 16.333 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.872 7.429 16.213 1.00 0.00 H new ATOM 0 HG21 VAL A 14 17.275 7.534 13.144 1.00 0.00 H new ATOM 0 HG22 VAL A 14 18.601 8.470 13.872 1.00 0.00 H new ATOM 0 HG23 VAL A 14 18.937 7.344 12.536 1.00 0.00 H new ATOM 241 N ASN A 15 20.988 5.319 16.930 1.00 0.00 N ATOM 242 CA ASN A 15 21.484 4.266 17.861 1.00 0.00 C ATOM 243 C ASN A 15 22.622 3.445 17.214 1.00 0.00 C ATOM 244 O ASN A 15 23.797 3.598 17.573 1.00 0.00 O ATOM 245 CB ASN A 15 20.346 3.338 18.387 1.00 0.00 C ATOM 246 CG ASN A 15 19.307 4.077 19.230 1.00 0.00 C ATOM 247 OD1 ASN A 15 18.277 4.616 18.587 1.00 0.00 O flip ATOM 248 ND2 ASN A 15 19.427 4.169 20.452 1.00 0.00 N flip ATOM 0 H ASN A 15 21.167 6.263 17.272 1.00 0.00 H new ATOM 0 HA ASN A 15 21.886 4.784 18.732 1.00 0.00 H new ATOM 0 HB2 ASN A 15 19.848 2.868 17.539 1.00 0.00 H new ATOM 0 HB3 ASN A 15 20.785 2.538 18.983 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.229 3.745 20.919 1.00 0.00 H new ATOM 0 HD22 ASN A 15 18.725 4.669 20.997 1.00 0.00 H new ATOM 255 N GLY A 16 22.247 2.581 16.261 1.00 0.00 N ATOM 256 CA GLY A 16 23.191 1.777 15.479 1.00 0.00 C ATOM 257 C GLY A 16 22.701 1.515 14.056 1.00 0.00 C ATOM 258 O GLY A 16 23.456 1.002 13.221 1.00 0.00 O ATOM 0 H GLY A 16 21.271 2.420 16.010 1.00 0.00 H new ATOM 0 HA2 GLY A 16 24.153 2.289 15.440 1.00 0.00 H new ATOM 0 HA3 GLY A 16 23.357 0.825 15.983 1.00 0.00 H new ATOM 262 N LYS A 17 21.429 1.868 13.773 1.00 0.00 N ATOM 263 CA LYS A 17 20.824 1.706 12.435 1.00 0.00 C ATOM 264 C LYS A 17 21.251 2.881 11.542 1.00 0.00 C ATOM 265 O LYS A 17 21.816 3.865 12.027 1.00 0.00 O ATOM 266 CB LYS A 17 19.264 1.648 12.532 1.00 0.00 C ATOM 267 CG LYS A 17 18.564 3.032 12.556 1.00 0.00 C ATOM 268 CD LYS A 17 17.045 2.958 12.828 1.00 0.00 C ATOM 269 CE LYS A 17 16.311 2.038 11.847 1.00 0.00 C ATOM 270 NZ LYS A 17 14.834 2.126 11.983 1.00 0.00 N ATOM 0 H LYS A 17 20.795 2.272 14.463 1.00 0.00 H new ATOM 0 HA LYS A 17 21.171 0.768 12.002 1.00 0.00 H new ATOM 0 HB2 LYS A 17 18.882 1.077 11.685 1.00 0.00 H new ATOM 0 HB3 LYS A 17 18.990 1.102 13.434 1.00 0.00 H new ATOM 0 HG2 LYS A 17 19.031 3.652 13.322 1.00 0.00 H new ATOM 0 HG3 LYS A 17 18.729 3.529 11.600 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.879 2.603 13.845 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.620 3.960 12.767 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.595 2.298 10.827 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.627 1.008 12.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.399 1.256 11.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.584 2.240 12.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.484 2.943 11.444 1.00 0.00 H new ATOM 284 N VAL A 18 20.949 2.782 10.243 1.00 0.00 N ATOM 285 CA VAL A 18 21.229 3.849 9.268 1.00 0.00 C ATOM 286 C VAL A 18 19.931 4.236 8.545 1.00 0.00 C ATOM 287 O VAL A 18 19.220 3.370 8.039 1.00 0.00 O ATOM 288 CB VAL A 18 22.312 3.398 8.228 1.00 0.00 C ATOM 289 CG1 VAL A 18 22.583 4.500 7.181 1.00 0.00 C ATOM 290 CG2 VAL A 18 23.621 2.971 8.935 1.00 0.00 C ATOM 0 H VAL A 18 20.503 1.960 9.835 1.00 0.00 H new ATOM 0 HA VAL A 18 21.621 4.713 9.804 1.00 0.00 H new ATOM 0 HB VAL A 18 21.917 2.530 7.699 1.00 0.00 H new ATOM 0 HG11 VAL A 18 23.339 4.154 6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.662 4.726 6.644 1.00 0.00 H new ATOM 0 HG13 VAL A 18 22.940 5.399 7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.354 2.663 8.189 1.00 0.00 H new ATOM 0 HG22 VAL A 18 24.016 3.811 9.507 1.00 0.00 H new ATOM 0 HG23 VAL A 18 23.416 2.138 9.608 1.00 0.00 H new ATOM 300 N GLU A 19 19.610 5.538 8.528 1.00 0.00 N ATOM 301 CA GLU A 19 18.478 6.065 7.748 1.00 0.00 C ATOM 302 C GLU A 19 18.992 7.057 6.702 1.00 0.00 C ATOM 303 O GLU A 19 19.901 7.846 6.975 1.00 0.00 O ATOM 304 CB GLU A 19 17.421 6.729 8.667 1.00 0.00 C ATOM 305 CG GLU A 19 16.944 5.836 9.829 1.00 0.00 C ATOM 306 CD GLU A 19 15.688 6.371 10.533 1.00 0.00 C ATOM 307 OE1 GLU A 19 15.771 7.431 11.191 1.00 0.00 O ATOM 308 OE2 GLU A 19 14.620 5.724 10.441 1.00 0.00 O ATOM 0 H GLU A 19 20.122 6.250 9.049 1.00 0.00 H new ATOM 0 HA GLU A 19 17.989 5.234 7.240 1.00 0.00 H new ATOM 0 HB2 GLU A 19 17.839 7.648 9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.559 7.013 8.064 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.740 4.835 9.448 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.748 5.741 10.559 1.00 0.00 H new ATOM 315 N TYR A 20 18.414 6.988 5.501 1.00 0.00 N ATOM 316 CA TYR A 20 18.781 7.831 4.357 1.00 0.00 C ATOM 317 C TYR A 20 17.634 8.809 4.046 1.00 0.00 C ATOM 318 O TYR A 20 16.471 8.401 3.989 1.00 0.00 O ATOM 319 CB TYR A 20 19.076 6.937 3.127 1.00 0.00 C ATOM 320 CG TYR A 20 20.276 5.988 3.306 1.00 0.00 C ATOM 321 CD1 TYR A 20 21.573 6.389 2.970 1.00 0.00 C ATOM 322 CD2 TYR A 20 20.113 4.693 3.811 1.00 0.00 C ATOM 323 CE1 TYR A 20 22.651 5.543 3.133 1.00 0.00 C ATOM 324 CE2 TYR A 20 21.190 3.849 3.974 1.00 0.00 C ATOM 325 CZ TYR A 20 22.456 4.277 3.632 1.00 0.00 C ATOM 326 OH TYR A 20 23.531 3.435 3.796 1.00 0.00 O ATOM 0 H TYR A 20 17.662 6.332 5.290 1.00 0.00 H new ATOM 0 HA TYR A 20 19.676 8.405 4.598 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.189 6.344 2.902 1.00 0.00 H new ATOM 0 HB3 TYR A 20 19.259 7.576 2.263 1.00 0.00 H new ATOM 0 HD1 TYR A 20 21.734 7.381 2.575 1.00 0.00 H new ATOM 0 HD2 TYR A 20 19.125 4.349 4.078 1.00 0.00 H new ATOM 0 HE1 TYR A 20 23.645 5.874 2.869 1.00 0.00 H new ATOM 0 HE2 TYR A 20 21.043 2.854 4.369 1.00 0.00 H new ATOM 0 HH TYR A 20 23.223 2.578 4.159 1.00 0.00 H new ATOM 336 N PHE A 21 17.973 10.095 3.860 1.00 0.00 N ATOM 337 CA PHE A 21 17.016 11.147 3.497 1.00 0.00 C ATOM 338 C PHE A 21 16.722 11.035 2.002 1.00 0.00 C ATOM 339 O PHE A 21 17.581 11.325 1.175 1.00 0.00 O ATOM 340 CB PHE A 21 17.605 12.537 3.848 1.00 0.00 C ATOM 341 CG PHE A 21 16.608 13.683 3.766 1.00 0.00 C ATOM 342 CD1 PHE A 21 15.492 13.703 4.601 1.00 0.00 C ATOM 343 CD2 PHE A 21 16.781 14.736 2.874 1.00 0.00 C ATOM 344 CE1 PHE A 21 14.590 14.740 4.547 1.00 0.00 C ATOM 345 CE2 PHE A 21 15.873 15.773 2.818 1.00 0.00 C ATOM 346 CZ PHE A 21 14.775 15.775 3.653 1.00 0.00 C ATOM 0 H PHE A 21 18.930 10.435 3.959 1.00 0.00 H new ATOM 0 HA PHE A 21 16.087 11.029 4.055 1.00 0.00 H new ATOM 0 HB2 PHE A 21 18.014 12.500 4.857 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.436 12.746 3.174 1.00 0.00 H new ATOM 0 HD1 PHE A 21 15.334 12.894 5.299 1.00 0.00 H new ATOM 0 HD2 PHE A 21 17.638 14.742 2.216 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.734 14.744 5.206 1.00 0.00 H new ATOM 0 HE2 PHE A 21 16.022 16.584 2.120 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.062 16.585 3.607 1.00 0.00 H new ATOM 356 N LEU A 22 15.517 10.585 1.668 1.00 0.00 N ATOM 357 CA LEU A 22 15.159 10.180 0.311 1.00 0.00 C ATOM 358 C LEU A 22 14.354 11.252 -0.416 1.00 0.00 C ATOM 359 O LEU A 22 13.288 11.658 0.058 1.00 0.00 O ATOM 360 CB LEU A 22 14.345 8.874 0.364 1.00 0.00 C ATOM 361 CG LEU A 22 15.086 7.628 0.929 1.00 0.00 C ATOM 362 CD1 LEU A 22 14.222 6.376 0.773 1.00 0.00 C ATOM 363 CD2 LEU A 22 16.471 7.432 0.272 1.00 0.00 C ATOM 0 H LEU A 22 14.753 10.490 2.337 1.00 0.00 H new ATOM 0 HA LEU A 22 16.085 10.029 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.456 9.048 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.003 8.642 -0.645 1.00 0.00 H new ATOM 0 HG LEU A 22 15.259 7.801 1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 22 14.755 5.514 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 22 13.287 6.509 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 22 14.007 6.212 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.953 6.551 0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.348 7.297 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 22 17.090 8.310 0.459 1.00 0.00 H new ATOM 375 N LYS A 23 14.874 11.683 -1.575 1.00 0.00 N ATOM 376 CA LYS A 23 14.128 12.463 -2.548 1.00 0.00 C ATOM 377 C LYS A 23 13.228 11.483 -3.308 1.00 0.00 C ATOM 378 O LYS A 23 13.733 10.649 -4.053 1.00 0.00 O ATOM 379 CB LYS A 23 15.092 13.213 -3.528 1.00 0.00 C ATOM 380 CG LYS A 23 14.551 14.552 -4.089 1.00 0.00 C ATOM 381 CD LYS A 23 13.232 14.419 -4.876 1.00 0.00 C ATOM 382 CE LYS A 23 12.695 15.774 -5.365 1.00 0.00 C ATOM 383 NZ LYS A 23 13.678 16.502 -6.214 1.00 0.00 N ATOM 0 H LYS A 23 15.836 11.493 -1.857 1.00 0.00 H new ATOM 0 HA LYS A 23 13.533 13.229 -2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.031 13.407 -3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.320 12.552 -4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.399 15.245 -3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.307 14.993 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.389 13.764 -5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.483 13.942 -4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.777 15.615 -5.932 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.435 16.391 -4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.224 17.341 -6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.487 16.798 -5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.010 15.876 -6.975 1.00 0.00 H new ATOM 397 N TRP A 24 11.917 11.567 -3.082 1.00 0.00 N ATOM 398 CA TRP A 24 10.934 10.706 -3.757 1.00 0.00 C ATOM 399 C TRP A 24 10.631 11.242 -5.160 1.00 0.00 C ATOM 400 O TRP A 24 10.672 12.456 -5.375 1.00 0.00 O ATOM 401 CB TRP A 24 9.640 10.631 -2.920 1.00 0.00 C ATOM 402 CG TRP A 24 9.881 10.166 -1.505 1.00 0.00 C ATOM 403 CD1 TRP A 24 10.100 10.946 -0.403 1.00 0.00 C ATOM 404 CD2 TRP A 24 9.962 8.810 -1.054 1.00 0.00 C ATOM 405 NE1 TRP A 24 10.300 10.158 0.698 1.00 0.00 N ATOM 406 CE2 TRP A 24 10.212 8.845 0.323 1.00 0.00 C ATOM 407 CE3 TRP A 24 9.828 7.569 -1.680 1.00 0.00 C ATOM 408 CZ2 TRP A 24 10.354 7.695 1.080 1.00 0.00 C ATOM 409 CZ3 TRP A 24 9.960 6.423 -0.924 1.00 0.00 C ATOM 410 CH2 TRP A 24 10.212 6.493 0.447 1.00 0.00 C ATOM 0 H TRP A 24 11.503 12.231 -2.428 1.00 0.00 H new ATOM 0 HA TRP A 24 11.350 9.703 -3.854 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.170 11.614 -2.899 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.938 9.953 -3.405 1.00 0.00 H new ATOM 0 HD1 TRP A 24 10.113 12.026 -0.402 1.00 0.00 H new ATOM 0 HE1 TRP A 24 10.484 10.494 1.643 1.00 0.00 H new ATOM 0 HE3 TRP A 24 9.624 7.508 -2.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.570 7.746 2.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.867 5.458 -1.400 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.296 5.580 1.018 1.00 0.00 H new ATOM 421 N LYS A 25 10.314 10.329 -6.096 1.00 0.00 N ATOM 422 CA LYS A 25 9.972 10.685 -7.486 1.00 0.00 C ATOM 423 C LYS A 25 8.754 11.638 -7.529 1.00 0.00 C ATOM 424 O LYS A 25 8.784 12.681 -8.187 1.00 0.00 O ATOM 425 CB LYS A 25 9.662 9.395 -8.292 1.00 0.00 C ATOM 426 CG LYS A 25 9.187 9.640 -9.749 1.00 0.00 C ATOM 427 CD LYS A 25 8.602 8.377 -10.429 1.00 0.00 C ATOM 428 CE LYS A 25 7.397 7.802 -9.674 1.00 0.00 C ATOM 429 NZ LYS A 25 6.800 6.636 -10.365 1.00 0.00 N ATOM 0 H LYS A 25 10.288 9.326 -5.911 1.00 0.00 H new ATOM 0 HA LYS A 25 10.823 11.199 -7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.557 8.774 -8.316 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.895 8.829 -7.764 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.432 10.426 -9.749 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.027 10.005 -10.340 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.303 8.623 -11.448 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.378 7.615 -10.500 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.707 7.507 -8.672 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.641 8.578 -9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.990 6.284 -9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.478 6.921 -11.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.512 5.883 -10.453 1.00 0.00 H new ATOM 443 N GLY A 26 7.700 11.264 -6.790 1.00 0.00 N ATOM 444 CA GLY A 26 6.421 11.976 -6.831 1.00 0.00 C ATOM 445 C GLY A 26 6.167 12.872 -5.628 1.00 0.00 C ATOM 446 O GLY A 26 5.023 13.280 -5.406 1.00 0.00 O ATOM 0 H GLY A 26 7.712 10.467 -6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.385 12.583 -7.736 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.614 11.247 -6.904 1.00 0.00 H new ATOM 450 N PHE A 27 7.218 13.171 -4.839 1.00 0.00 N ATOM 451 CA PHE A 27 7.127 14.111 -3.700 1.00 0.00 C ATOM 452 C PHE A 27 8.295 15.098 -3.744 1.00 0.00 C ATOM 453 O PHE A 27 9.448 14.710 -3.981 1.00 0.00 O ATOM 454 CB PHE A 27 7.099 13.365 -2.338 1.00 0.00 C ATOM 455 CG PHE A 27 5.869 12.470 -2.134 1.00 0.00 C ATOM 456 CD1 PHE A 27 4.583 13.021 -2.124 1.00 0.00 C ATOM 457 CD2 PHE A 27 5.992 11.094 -1.947 1.00 0.00 C ATOM 458 CE1 PHE A 27 3.468 12.223 -1.935 1.00 0.00 C ATOM 459 CE2 PHE A 27 4.875 10.302 -1.756 1.00 0.00 C ATOM 460 CZ PHE A 27 3.616 10.868 -1.749 1.00 0.00 C ATOM 0 H PHE A 27 8.148 12.772 -4.970 1.00 0.00 H new ATOM 0 HA PHE A 27 6.189 14.658 -3.791 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.997 12.753 -2.253 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.137 14.100 -1.534 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.459 14.084 -2.266 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.972 10.641 -1.951 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.482 12.664 -1.934 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.988 9.238 -1.612 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.746 10.246 -1.597 1.00 0.00 H new ATOM 470 N THR A 28 7.971 16.372 -3.494 1.00 0.00 N ATOM 471 CA THR A 28 8.911 17.494 -3.573 1.00 0.00 C ATOM 472 C THR A 28 9.781 17.605 -2.302 1.00 0.00 C ATOM 473 O THR A 28 9.637 16.804 -1.367 1.00 0.00 O ATOM 474 CB THR A 28 8.124 18.824 -3.839 1.00 0.00 C ATOM 475 OG1 THR A 28 7.060 18.952 -2.888 1.00 0.00 O ATOM 476 CG2 THR A 28 7.541 18.885 -5.264 1.00 0.00 C ATOM 0 H THR A 28 7.029 16.657 -3.226 1.00 0.00 H new ATOM 0 HA THR A 28 9.592 17.312 -4.404 1.00 0.00 H new ATOM 0 HB THR A 28 8.832 19.646 -3.734 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.571 19.784 -3.055 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.006 19.825 -5.398 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.350 18.821 -5.991 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.854 18.052 -5.412 1.00 0.00 H new ATOM 484 N ASP A 29 10.659 18.627 -2.298 1.00 0.00 N ATOM 485 CA ASP A 29 11.734 18.824 -1.297 1.00 0.00 C ATOM 486 C ASP A 29 11.244 18.724 0.163 1.00 0.00 C ATOM 487 O ASP A 29 11.792 17.951 0.962 1.00 0.00 O ATOM 488 CB ASP A 29 12.408 20.200 -1.544 1.00 0.00 C ATOM 489 CG ASP A 29 13.563 20.513 -0.576 1.00 0.00 C ATOM 490 OD1 ASP A 29 14.650 19.909 -0.720 1.00 0.00 O ATOM 491 OD2 ASP A 29 13.391 21.348 0.342 1.00 0.00 O ATOM 0 H ASP A 29 10.643 19.359 -3.008 1.00 0.00 H new ATOM 0 HA ASP A 29 12.450 18.013 -1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.786 20.230 -2.566 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.654 20.983 -1.460 1.00 0.00 H new ATOM 496 N ALA A 30 10.186 19.481 0.480 1.00 0.00 N ATOM 497 CA ALA A 30 9.660 19.605 1.855 1.00 0.00 C ATOM 498 C ALA A 30 8.959 18.319 2.344 1.00 0.00 C ATOM 499 O ALA A 30 8.808 18.112 3.555 1.00 0.00 O ATOM 500 CB ALA A 30 8.711 20.810 1.938 1.00 0.00 C ATOM 0 H ALA A 30 9.666 20.027 -0.207 1.00 0.00 H new ATOM 0 HA ALA A 30 10.510 19.762 2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.324 20.899 2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.253 21.719 1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.882 20.668 1.245 1.00 0.00 H new ATOM 506 N ASP A 31 8.530 17.460 1.403 1.00 0.00 N ATOM 507 CA ASP A 31 7.809 16.206 1.728 1.00 0.00 C ATOM 508 C ASP A 31 8.790 15.023 1.890 1.00 0.00 C ATOM 509 O ASP A 31 8.429 13.998 2.485 1.00 0.00 O ATOM 510 CB ASP A 31 6.744 15.886 0.641 1.00 0.00 C ATOM 511 CG ASP A 31 5.707 14.837 1.106 1.00 0.00 C ATOM 512 OD1 ASP A 31 5.926 13.616 0.919 1.00 0.00 O ATOM 513 OD2 ASP A 31 4.677 15.231 1.692 1.00 0.00 O ATOM 0 H ASP A 31 8.669 17.608 0.403 1.00 0.00 H new ATOM 0 HA ASP A 31 7.298 16.353 2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.226 16.805 0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.245 15.522 -0.256 1.00 0.00 H new ATOM 518 N ASN A 32 10.029 15.180 1.370 1.00 0.00 N ATOM 519 CA ASN A 32 11.071 14.123 1.403 1.00 0.00 C ATOM 520 C ASN A 32 11.388 13.679 2.849 1.00 0.00 C ATOM 521 O ASN A 32 11.500 14.521 3.746 1.00 0.00 O ATOM 522 CB ASN A 32 12.350 14.608 0.675 1.00 0.00 C ATOM 523 CG ASN A 32 12.140 14.916 -0.821 1.00 0.00 C ATOM 524 OD1 ASN A 32 11.196 14.235 -1.480 1.00 0.00 O flip ATOM 525 ND2 ASN A 32 12.835 15.752 -1.393 1.00 0.00 N flip ATOM 0 H ASN A 32 10.336 16.040 0.916 1.00 0.00 H new ATOM 0 HA ASN A 32 10.682 13.250 0.878 1.00 0.00 H new ATOM 0 HB2 ASN A 32 12.721 15.505 1.172 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.123 13.846 0.774 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.550 16.262 -0.874 1.00 0.00 H new ATOM 0 HD22 ASN A 32 12.697 15.936 -2.387 1.00 0.00 H new ATOM 532 N THR A 33 11.523 12.348 3.061 1.00 0.00 N ATOM 533 CA THR A 33 11.543 11.735 4.411 1.00 0.00 C ATOM 534 C THR A 33 12.757 10.808 4.625 1.00 0.00 C ATOM 535 O THR A 33 13.339 10.294 3.663 1.00 0.00 O ATOM 536 CB THR A 33 10.227 10.915 4.656 1.00 0.00 C ATOM 537 OG1 THR A 33 10.013 9.997 3.574 1.00 0.00 O ATOM 538 CG2 THR A 33 8.990 11.815 4.800 1.00 0.00 C ATOM 0 H THR A 33 11.621 11.671 2.304 1.00 0.00 H new ATOM 0 HA THR A 33 11.618 12.557 5.123 1.00 0.00 H new ATOM 0 HB THR A 33 10.360 10.377 5.594 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.098 9.078 3.903 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.108 11.197 4.968 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.127 12.489 5.646 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.856 12.398 3.889 1.00 0.00 H new ATOM 546 N TRP A 34 13.116 10.611 5.908 1.00 0.00 N ATOM 547 CA TRP A 34 14.159 9.658 6.339 1.00 0.00 C ATOM 548 C TRP A 34 13.593 8.228 6.382 1.00 0.00 C ATOM 549 O TRP A 34 12.668 7.955 7.156 1.00 0.00 O ATOM 550 CB TRP A 34 14.690 10.024 7.754 1.00 0.00 C ATOM 551 CG TRP A 34 15.464 11.317 7.825 1.00 0.00 C ATOM 552 CD1 TRP A 34 15.004 12.558 8.175 1.00 0.00 C ATOM 553 CD2 TRP A 34 16.853 11.478 7.539 1.00 0.00 C ATOM 554 NE1 TRP A 34 16.030 13.466 8.133 1.00 0.00 N ATOM 555 CE2 TRP A 34 17.173 12.828 7.740 1.00 0.00 C ATOM 556 CE3 TRP A 34 17.856 10.597 7.136 1.00 0.00 C ATOM 557 CZ2 TRP A 34 18.456 13.319 7.551 1.00 0.00 C ATOM 558 CZ3 TRP A 34 19.126 11.085 6.942 1.00 0.00 C ATOM 559 CH2 TRP A 34 19.418 12.433 7.153 1.00 0.00 C ATOM 0 H TRP A 34 12.686 11.114 6.684 1.00 0.00 H new ATOM 0 HA TRP A 34 14.975 9.713 5.619 1.00 0.00 H new ATOM 0 HB2 TRP A 34 13.845 10.085 8.439 1.00 0.00 H new ATOM 0 HB3 TRP A 34 15.329 9.215 8.107 1.00 0.00 H new ATOM 0 HD1 TRP A 34 13.984 12.788 8.444 1.00 0.00 H new ATOM 0 HE1 TRP A 34 15.953 14.458 8.359 1.00 0.00 H new ATOM 0 HE3 TRP A 34 17.639 9.551 6.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 18.686 14.362 7.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 19.910 10.415 6.621 1.00 0.00 H new ATOM 0 HH2 TRP A 34 20.427 12.785 6.998 1.00 0.00 H new ATOM 570 N GLU A 35 14.143 7.322 5.556 1.00 0.00 N ATOM 571 CA GLU A 35 13.768 5.895 5.564 1.00 0.00 C ATOM 572 C GLU A 35 14.985 5.026 5.913 1.00 0.00 C ATOM 573 O GLU A 35 16.068 5.241 5.358 1.00 0.00 O ATOM 574 CB GLU A 35 13.201 5.454 4.198 1.00 0.00 C ATOM 575 CG GLU A 35 11.953 6.208 3.725 1.00 0.00 C ATOM 576 CD GLU A 35 10.817 6.268 4.762 1.00 0.00 C ATOM 577 OE1 GLU A 35 10.425 5.210 5.301 1.00 0.00 O ATOM 578 OE2 GLU A 35 10.311 7.377 5.044 1.00 0.00 O ATOM 0 H GLU A 35 14.857 7.555 4.866 1.00 0.00 H new ATOM 0 HA GLU A 35 12.994 5.763 6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 35 13.981 5.571 3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.964 4.391 4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.238 7.225 3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.577 5.732 2.819 1.00 0.00 H new ATOM 585 N PRO A 36 14.822 4.010 6.810 1.00 0.00 N ATOM 586 CA PRO A 36 15.926 3.120 7.205 1.00 0.00 C ATOM 587 C PRO A 36 16.282 2.098 6.107 1.00 0.00 C ATOM 588 O PRO A 36 15.414 1.682 5.330 1.00 0.00 O ATOM 589 CB PRO A 36 15.377 2.441 8.472 1.00 0.00 C ATOM 590 CG PRO A 36 13.895 2.388 8.264 1.00 0.00 C ATOM 591 CD PRO A 36 13.550 3.645 7.500 1.00 0.00 C ATOM 0 HA PRO A 36 16.862 3.654 7.373 1.00 0.00 H new ATOM 0 HB2 PRO A 36 15.795 1.442 8.599 1.00 0.00 H new ATOM 0 HB3 PRO A 36 15.631 3.009 9.367 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.609 1.497 7.704 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.366 2.350 9.216 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.745 3.470 6.786 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.216 4.439 8.168 1.00 0.00 H new ATOM 599 N GLU A 37 17.563 1.693 6.089 1.00 0.00 N ATOM 600 CA GLU A 37 18.109 0.713 5.122 1.00 0.00 C ATOM 601 C GLU A 37 17.376 -0.650 5.179 1.00 0.00 C ATOM 602 O GLU A 37 17.318 -1.365 4.169 1.00 0.00 O ATOM 603 CB GLU A 37 19.660 0.534 5.300 1.00 0.00 C ATOM 604 CG GLU A 37 20.229 0.618 6.746 1.00 0.00 C ATOM 605 CD GLU A 37 19.465 -0.178 7.817 1.00 0.00 C ATOM 606 OE1 GLU A 37 19.598 -1.415 7.852 1.00 0.00 O ATOM 607 OE2 GLU A 37 18.708 0.433 8.609 1.00 0.00 O ATOM 0 H GLU A 37 18.259 2.037 6.750 1.00 0.00 H new ATOM 0 HA GLU A 37 17.930 1.124 4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 37 19.937 -0.435 4.885 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.158 1.293 4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 37 21.262 0.269 6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 37 20.251 1.666 7.047 1.00 0.00 H new ATOM 614 N GLU A 38 16.820 -0.982 6.358 1.00 0.00 N ATOM 615 CA GLU A 38 16.037 -2.219 6.564 1.00 0.00 C ATOM 616 C GLU A 38 14.792 -2.248 5.638 1.00 0.00 C ATOM 617 O GLU A 38 14.395 -3.306 5.136 1.00 0.00 O ATOM 618 CB GLU A 38 15.612 -2.356 8.058 1.00 0.00 C ATOM 619 CG GLU A 38 14.677 -1.234 8.557 1.00 0.00 C ATOM 620 CD GLU A 38 14.172 -1.407 9.998 1.00 0.00 C ATOM 621 OE1 GLU A 38 13.590 -2.469 10.307 1.00 0.00 O ATOM 622 OE2 GLU A 38 14.336 -0.486 10.823 1.00 0.00 O ATOM 0 H GLU A 38 16.899 -0.404 7.194 1.00 0.00 H new ATOM 0 HA GLU A 38 16.671 -3.068 6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.114 -3.316 8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.508 -2.370 8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.204 -0.282 8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.817 -1.174 7.890 1.00 0.00 H new ATOM 629 N ASN A 39 14.193 -1.062 5.415 1.00 0.00 N ATOM 630 CA ASN A 39 12.999 -0.893 4.566 1.00 0.00 C ATOM 631 C ASN A 39 13.384 -0.780 3.086 1.00 0.00 C ATOM 632 O ASN A 39 12.638 -1.251 2.219 1.00 0.00 O ATOM 633 CB ASN A 39 12.200 0.375 4.985 1.00 0.00 C ATOM 634 CG ASN A 39 11.418 0.239 6.293 1.00 0.00 C ATOM 635 OD1 ASN A 39 11.803 -0.494 7.194 1.00 0.00 O ATOM 636 ND2 ASN A 39 10.308 0.957 6.403 1.00 0.00 N ATOM 0 H ASN A 39 14.527 -0.188 5.822 1.00 0.00 H new ATOM 0 HA ASN A 39 12.375 -1.776 4.703 1.00 0.00 H new ATOM 0 HB2 ASN A 39 12.894 1.210 5.079 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.503 0.628 4.186 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.750 0.907 7.256 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.012 1.559 5.635 1.00 0.00 H new ATOM 643 N LEU A 40 14.539 -0.148 2.806 1.00 0.00 N ATOM 644 CA LEU A 40 14.933 0.222 1.428 1.00 0.00 C ATOM 645 C LEU A 40 15.114 -1.006 0.526 1.00 0.00 C ATOM 646 O LEU A 40 15.695 -2.010 0.938 1.00 0.00 O ATOM 647 CB LEU A 40 16.233 1.083 1.417 1.00 0.00 C ATOM 648 CG LEU A 40 16.209 2.389 2.271 1.00 0.00 C ATOM 649 CD1 LEU A 40 17.398 3.313 1.938 1.00 0.00 C ATOM 650 CD2 LEU A 40 14.873 3.128 2.130 1.00 0.00 C ATOM 0 H LEU A 40 15.220 0.119 3.517 1.00 0.00 H new ATOM 0 HA LEU A 40 14.113 0.818 1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 40 17.057 0.461 1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 40 16.454 1.354 0.385 1.00 0.00 H new ATOM 0 HG LEU A 40 16.313 2.091 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 40 17.345 4.211 2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.333 2.790 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 40 17.358 3.592 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 40 14.892 4.032 2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.714 3.396 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.062 2.481 2.466 1.00 0.00 H new ATOM 662 N ASP A 41 14.596 -0.904 -0.705 1.00 0.00 N ATOM 663 CA ASP A 41 14.817 -1.896 -1.767 1.00 0.00 C ATOM 664 C ASP A 41 15.753 -1.271 -2.822 1.00 0.00 C ATOM 665 O ASP A 41 15.720 -1.608 -4.008 1.00 0.00 O ATOM 666 CB ASP A 41 13.447 -2.322 -2.370 1.00 0.00 C ATOM 667 CG ASP A 41 13.531 -3.565 -3.278 1.00 0.00 C ATOM 668 OD1 ASP A 41 13.760 -4.678 -2.752 1.00 0.00 O ATOM 669 OD2 ASP A 41 13.356 -3.439 -4.503 1.00 0.00 O ATOM 0 H ASP A 41 14.006 -0.124 -0.995 1.00 0.00 H new ATOM 0 HA ASP A 41 15.291 -2.797 -1.377 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.749 -2.523 -1.557 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.038 -1.490 -2.944 1.00 0.00 H new ATOM 674 N CYS A 42 16.624 -0.355 -2.354 1.00 0.00 N ATOM 675 CA CYS A 42 17.517 0.420 -3.215 1.00 0.00 C ATOM 676 C CYS A 42 18.989 0.080 -2.902 1.00 0.00 C ATOM 677 O CYS A 42 19.586 0.709 -2.031 1.00 0.00 O ATOM 678 CB CYS A 42 17.243 1.928 -2.982 1.00 0.00 C ATOM 679 SG CYS A 42 15.495 2.359 -3.015 1.00 0.00 S ATOM 0 H CYS A 42 16.722 -0.137 -1.363 1.00 0.00 H new ATOM 0 HA CYS A 42 17.332 0.173 -4.260 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.662 2.220 -2.019 1.00 0.00 H new ATOM 0 HB3 CYS A 42 17.765 2.505 -3.745 1.00 0.00 H new ATOM 0 HG CYS A 42 14.780 1.279 -2.903 1.00 0.00 H new ATOM 685 N PRO A 43 19.601 -0.949 -3.574 1.00 0.00 N ATOM 686 CA PRO A 43 21.065 -1.160 -3.509 1.00 0.00 C ATOM 687 C PRO A 43 21.810 -0.168 -4.425 1.00 0.00 C ATOM 688 O PRO A 43 22.955 0.190 -4.165 1.00 0.00 O ATOM 689 CB PRO A 43 21.232 -2.630 -3.968 1.00 0.00 C ATOM 690 CG PRO A 43 20.071 -2.881 -4.885 1.00 0.00 C ATOM 691 CD PRO A 43 18.928 -2.010 -4.383 1.00 0.00 C ATOM 0 HA PRO A 43 21.487 -0.987 -2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 43 22.181 -2.778 -4.483 1.00 0.00 H new ATOM 0 HB3 PRO A 43 21.220 -3.313 -3.119 1.00 0.00 H new ATOM 0 HG2 PRO A 43 20.328 -2.629 -5.914 1.00 0.00 H new ATOM 0 HG3 PRO A 43 19.790 -3.934 -4.875 1.00 0.00 H new ATOM 0 HD2 PRO A 43 18.362 -1.581 -5.210 1.00 0.00 H new ATOM 0 HD3 PRO A 43 18.225 -2.585 -3.780 1.00 0.00 H new ATOM 699 N GLU A 44 21.103 0.287 -5.481 1.00 0.00 N ATOM 700 CA GLU A 44 21.623 1.226 -6.483 1.00 0.00 C ATOM 701 C GLU A 44 21.913 2.600 -5.857 1.00 0.00 C ATOM 702 O GLU A 44 23.037 3.092 -5.929 1.00 0.00 O ATOM 703 CB GLU A 44 20.589 1.379 -7.624 1.00 0.00 C ATOM 704 CG GLU A 44 20.999 2.321 -8.772 1.00 0.00 C ATOM 705 CD GLU A 44 22.236 1.827 -9.537 1.00 0.00 C ATOM 706 OE1 GLU A 44 22.086 0.965 -10.426 1.00 0.00 O ATOM 707 OE2 GLU A 44 23.361 2.277 -9.245 1.00 0.00 O ATOM 0 H GLU A 44 20.139 0.004 -5.659 1.00 0.00 H new ATOM 0 HA GLU A 44 22.558 0.830 -6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.387 0.393 -8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 44 19.654 1.742 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 44 20.165 2.423 -9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 44 21.200 3.313 -8.367 1.00 0.00 H new ATOM 714 N LEU A 45 20.877 3.191 -5.228 1.00 0.00 N ATOM 715 CA LEU A 45 20.942 4.564 -4.684 1.00 0.00 C ATOM 716 C LEU A 45 21.934 4.665 -3.527 1.00 0.00 C ATOM 717 O LEU A 45 22.665 5.648 -3.433 1.00 0.00 O ATOM 718 CB LEU A 45 19.545 5.047 -4.225 1.00 0.00 C ATOM 719 CG LEU A 45 18.462 5.127 -5.335 1.00 0.00 C ATOM 720 CD1 LEU A 45 17.131 5.654 -4.768 1.00 0.00 C ATOM 721 CD2 LEU A 45 18.941 5.965 -6.546 1.00 0.00 C ATOM 0 H LEU A 45 19.977 2.734 -5.083 1.00 0.00 H new ATOM 0 HA LEU A 45 21.291 5.210 -5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 45 19.188 4.377 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.652 6.034 -3.775 1.00 0.00 H new ATOM 0 HG LEU A 45 18.289 4.115 -5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.389 5.701 -5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.779 4.984 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.281 6.651 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.155 5.997 -7.300 1.00 0.00 H new ATOM 0 HD22 LEU A 45 19.171 6.979 -6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.835 5.510 -6.973 1.00 0.00 H new ATOM 733 N ILE A 46 21.952 3.641 -2.655 1.00 0.00 N ATOM 734 CA ILE A 46 22.866 3.605 -1.492 1.00 0.00 C ATOM 735 C ILE A 46 24.332 3.494 -1.959 1.00 0.00 C ATOM 736 O ILE A 46 25.184 4.263 -1.510 1.00 0.00 O ATOM 737 CB ILE A 46 22.505 2.431 -0.505 1.00 0.00 C ATOM 738 CG1 ILE A 46 21.064 2.628 0.075 1.00 0.00 C ATOM 739 CG2 ILE A 46 23.549 2.311 0.635 1.00 0.00 C ATOM 740 CD1 ILE A 46 20.587 1.514 1.001 1.00 0.00 C ATOM 0 H ILE A 46 21.344 2.825 -2.731 1.00 0.00 H new ATOM 0 HA ILE A 46 22.744 4.541 -0.946 1.00 0.00 H new ATOM 0 HB ILE A 46 22.526 1.498 -1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 46 21.033 3.572 0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.363 2.716 -0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.271 1.492 1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.533 2.114 0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 46 23.578 3.242 1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.580 1.739 1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 46 20.580 0.568 0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.260 1.437 1.855 1.00 0.00 H new ATOM 752 N GLU A 47 24.593 2.554 -2.892 1.00 0.00 N ATOM 753 CA GLU A 47 25.943 2.327 -3.465 1.00 0.00 C ATOM 754 C GLU A 47 26.477 3.607 -4.127 1.00 0.00 C ATOM 755 O GLU A 47 27.589 4.059 -3.836 1.00 0.00 O ATOM 756 CB GLU A 47 25.896 1.191 -4.521 1.00 0.00 C ATOM 757 CG GLU A 47 27.264 0.780 -5.104 1.00 0.00 C ATOM 758 CD GLU A 47 28.157 0.054 -4.081 1.00 0.00 C ATOM 759 OE1 GLU A 47 27.956 -1.163 -3.867 1.00 0.00 O ATOM 760 OE2 GLU A 47 29.050 0.688 -3.478 1.00 0.00 O ATOM 0 H GLU A 47 23.879 1.932 -3.270 1.00 0.00 H new ATOM 0 HA GLU A 47 26.609 2.042 -2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.434 0.314 -4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.249 1.505 -5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.106 0.132 -5.966 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.782 1.669 -5.465 1.00 0.00 H new ATOM 767 N ALA A 48 25.635 4.185 -4.997 1.00 0.00 N ATOM 768 CA ALA A 48 25.952 5.401 -5.765 1.00 0.00 C ATOM 769 C ALA A 48 26.187 6.608 -4.840 1.00 0.00 C ATOM 770 O ALA A 48 27.063 7.430 -5.100 1.00 0.00 O ATOM 771 CB ALA A 48 24.820 5.699 -6.764 1.00 0.00 C ATOM 0 H ALA A 48 24.703 3.817 -5.190 1.00 0.00 H new ATOM 0 HA ALA A 48 26.877 5.224 -6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 48 25.061 6.600 -7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.710 4.859 -7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.886 5.850 -6.222 1.00 0.00 H new ATOM 777 N PHE A 49 25.397 6.672 -3.754 1.00 0.00 N ATOM 778 CA PHE A 49 25.483 7.733 -2.726 1.00 0.00 C ATOM 779 C PHE A 49 26.838 7.681 -1.999 1.00 0.00 C ATOM 780 O PHE A 49 27.528 8.701 -1.882 1.00 0.00 O ATOM 781 CB PHE A 49 24.306 7.569 -1.725 1.00 0.00 C ATOM 782 CG PHE A 49 24.360 8.445 -0.479 1.00 0.00 C ATOM 783 CD1 PHE A 49 24.253 9.830 -0.566 1.00 0.00 C ATOM 784 CD2 PHE A 49 24.510 7.874 0.784 1.00 0.00 C ATOM 785 CE1 PHE A 49 24.301 10.616 0.570 1.00 0.00 C ATOM 786 CE2 PHE A 49 24.556 8.658 1.911 1.00 0.00 C ATOM 787 CZ PHE A 49 24.448 10.030 1.808 1.00 0.00 C ATOM 0 H PHE A 49 24.671 5.982 -3.560 1.00 0.00 H new ATOM 0 HA PHE A 49 25.409 8.708 -3.207 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.375 7.779 -2.252 1.00 0.00 H new ATOM 0 HB3 PHE A 49 24.266 6.526 -1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.131 10.296 -1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 49 24.591 6.801 0.878 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.223 11.690 0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 49 24.677 8.199 2.881 1.00 0.00 H new ATOM 0 HZ PHE A 49 24.479 10.643 2.696 1.00 0.00 H new ATOM 797 N LEU A 50 27.212 6.476 -1.536 1.00 0.00 N ATOM 798 CA LEU A 50 28.457 6.258 -0.774 1.00 0.00 C ATOM 799 C LEU A 50 29.697 6.511 -1.660 1.00 0.00 C ATOM 800 O LEU A 50 30.675 7.114 -1.220 1.00 0.00 O ATOM 801 CB LEU A 50 28.474 4.829 -0.159 1.00 0.00 C ATOM 802 CG LEU A 50 27.310 4.494 0.839 1.00 0.00 C ATOM 803 CD1 LEU A 50 27.464 3.076 1.424 1.00 0.00 C ATOM 804 CD2 LEU A 50 27.183 5.551 1.962 1.00 0.00 C ATOM 0 H LEU A 50 26.663 5.628 -1.678 1.00 0.00 H new ATOM 0 HA LEU A 50 28.492 6.975 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.447 4.105 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.422 4.690 0.360 1.00 0.00 H new ATOM 0 HG LEU A 50 26.383 4.522 0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.642 2.875 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.448 2.345 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.411 3.004 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 50 26.365 5.278 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 50 28.113 5.594 2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 50 26.981 6.527 1.522 1.00 0.00 H new ATOM 816 N ASN A 51 29.605 6.090 -2.934 1.00 0.00 N ATOM 817 CA ASN A 51 30.685 6.265 -3.939 1.00 0.00 C ATOM 818 C ASN A 51 30.725 7.702 -4.495 1.00 0.00 C ATOM 819 O ASN A 51 31.726 8.106 -5.086 1.00 0.00 O ATOM 820 CB ASN A 51 30.512 5.240 -5.093 1.00 0.00 C ATOM 821 CG ASN A 51 30.778 3.797 -4.657 1.00 0.00 C ATOM 822 OD1 ASN A 51 31.637 3.535 -3.814 1.00 0.00 O ATOM 823 ND2 ASN A 51 30.033 2.853 -5.213 1.00 0.00 N ATOM 0 H ASN A 51 28.780 5.617 -3.303 1.00 0.00 H new ATOM 0 HA ASN A 51 31.636 6.084 -3.439 1.00 0.00 H new ATOM 0 HB2 ASN A 51 29.499 5.313 -5.488 1.00 0.00 H new ATOM 0 HB3 ASN A 51 31.190 5.499 -5.906 1.00 0.00 H new ATOM 0 HD21 ASN A 51 30.163 1.877 -4.946 1.00 0.00 H new ATOM 0 HD22 ASN A 51 29.330 3.102 -5.908 1.00 0.00 H new ATOM 830 N SER A 52 29.625 8.460 -4.328 1.00 0.00 N ATOM 831 CA SER A 52 29.581 9.891 -4.702 1.00 0.00 C ATOM 832 C SER A 52 30.324 10.736 -3.646 1.00 0.00 C ATOM 833 O SER A 52 30.874 11.800 -3.956 1.00 0.00 O ATOM 834 CB SER A 52 28.116 10.371 -4.860 1.00 0.00 C ATOM 835 OG SER A 52 28.043 11.717 -5.307 1.00 0.00 O ATOM 0 H SER A 52 28.752 8.107 -3.936 1.00 0.00 H new ATOM 0 HA SER A 52 30.080 10.017 -5.663 1.00 0.00 H new ATOM 0 HB2 SER A 52 27.597 9.725 -5.568 1.00 0.00 H new ATOM 0 HB3 SER A 52 27.599 10.277 -3.905 1.00 0.00 H new ATOM 0 HG SER A 52 27.104 11.982 -5.396 1.00 0.00 H new ATOM 841 N GLN A 53 30.333 10.240 -2.396 1.00 0.00 N ATOM 842 CA GLN A 53 31.032 10.880 -1.267 1.00 0.00 C ATOM 843 C GLN A 53 32.519 10.491 -1.270 1.00 0.00 C ATOM 844 O GLN A 53 33.389 11.316 -0.958 1.00 0.00 O ATOM 845 CB GLN A 53 30.364 10.452 0.062 1.00 0.00 C ATOM 846 CG GLN A 53 28.867 10.803 0.149 1.00 0.00 C ATOM 847 CD GLN A 53 28.207 10.269 1.414 1.00 0.00 C ATOM 848 OE1 GLN A 53 27.697 9.049 1.354 1.00 0.00 O flip ATOM 849 NE2 GLN A 53 28.167 10.939 2.443 1.00 0.00 N flip ATOM 0 H GLN A 53 29.852 9.378 -2.139 1.00 0.00 H new ATOM 0 HA GLN A 53 30.963 11.963 -1.369 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.483 9.376 0.187 1.00 0.00 H new ATOM 0 HB3 GLN A 53 30.888 10.929 0.891 1.00 0.00 H new ATOM 0 HG2 GLN A 53 28.750 11.886 0.113 1.00 0.00 H new ATOM 0 HG3 GLN A 53 28.352 10.398 -0.722 1.00 0.00 H new ATOM 0 HE21 GLN A 53 28.569 11.876 2.457 1.00 0.00 H new ATOM 0 HE22 GLN A 53 27.732 10.558 3.283 1.00 0.00 H new ATOM 858 N LYS A 54 32.794 9.226 -1.630 1.00 0.00 N ATOM 859 CA LYS A 54 34.162 8.686 -1.694 1.00 0.00 C ATOM 860 C LYS A 54 34.752 8.913 -3.106 1.00 0.00 C ATOM 861 O LYS A 54 34.572 8.049 -3.984 1.00 0.00 O ATOM 862 CB LYS A 54 34.149 7.179 -1.302 1.00 0.00 C ATOM 863 CG LYS A 54 33.690 6.902 0.143 1.00 0.00 C ATOM 864 CD LYS A 54 34.631 7.531 1.199 1.00 0.00 C ATOM 865 CE LYS A 54 34.156 7.273 2.634 1.00 0.00 C ATOM 866 NZ LYS A 54 32.859 7.936 2.925 1.00 0.00 N ATOM 867 OXT LYS A 54 35.376 9.970 -3.338 1.00 0.00 O ATOM 0 H LYS A 54 32.074 8.550 -1.885 1.00 0.00 H new ATOM 0 HA LYS A 54 34.802 9.209 -0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 54 33.493 6.643 -1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 54 35.151 6.772 -1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 54 32.682 7.293 0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 54 33.639 5.825 0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 54 35.635 7.126 1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 54 34.697 8.606 1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 54 34.057 6.199 2.794 1.00 0.00 H new ATOM 0 HE3 LYS A 54 34.910 7.632 3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 32.628 7.819 3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 32.929 8.949 2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 32.111 7.504 2.346 1.00 0.00 H new TER 881 LYS A 54 ATOM 882 N ALA B 1 13.253 8.351 -16.891 1.00 0.00 N ATOM 883 CA ALA B 1 14.138 7.157 -16.933 1.00 0.00 C ATOM 884 C ALA B 1 13.461 5.967 -16.237 1.00 0.00 C ATOM 885 O ALA B 1 12.668 6.165 -15.310 1.00 0.00 O ATOM 886 CB ALA B 1 15.494 7.474 -16.277 1.00 0.00 C ATOM 0 H1 ALA B 1 13.816 9.192 -16.654 1.00 0.00 H new ATOM 0 H2 ALA B 1 12.806 8.484 -17.820 1.00 0.00 H new ATOM 0 H3 ALA B 1 12.517 8.212 -16.169 1.00 0.00 H new ATOM 0 HA ALA B 1 14.316 6.888 -17.974 1.00 0.00 H new ATOM 0 HB1 ALA B 1 16.132 6.591 -16.315 1.00 0.00 H new ATOM 0 HB2 ALA B 1 15.975 8.292 -16.813 1.00 0.00 H new ATOM 0 HB3 ALA B 1 15.337 7.764 -15.238 1.00 0.00 H new ATOM 894 N ARG B 2 13.775 4.725 -16.693 1.00 0.00 N ATOM 895 CA ARG B 2 13.321 3.481 -16.013 1.00 0.00 C ATOM 896 C ARG B 2 14.145 3.245 -14.741 1.00 0.00 C ATOM 897 O ARG B 2 13.724 2.483 -13.868 1.00 0.00 O ATOM 898 CB ARG B 2 13.409 2.215 -16.928 1.00 0.00 C ATOM 899 CG ARG B 2 12.357 2.114 -18.062 1.00 0.00 C ATOM 900 CD ARG B 2 12.518 3.185 -19.148 1.00 0.00 C ATOM 901 NE ARG B 2 13.863 3.171 -19.761 1.00 0.00 N ATOM 902 CZ ARG B 2 14.191 3.746 -20.926 1.00 0.00 C ATOM 903 NH1 ARG B 2 13.272 4.344 -21.672 1.00 0.00 N ATOM 904 NH2 ARG B 2 15.444 3.706 -21.345 1.00 0.00 N ATOM 0 H ARG B 2 14.339 4.559 -17.526 1.00 0.00 H new ATOM 0 HA ARG B 2 12.270 3.630 -15.765 1.00 0.00 H new ATOM 0 HB2 ARG B 2 14.401 2.186 -17.378 1.00 0.00 H new ATOM 0 HB3 ARG B 2 13.319 1.330 -16.298 1.00 0.00 H new ATOM 0 HG2 ARG B 2 12.426 1.129 -18.523 1.00 0.00 H new ATOM 0 HG3 ARG B 2 11.360 2.195 -17.629 1.00 0.00 H new ATOM 0 HD2 ARG B 2 11.767 3.028 -19.923 1.00 0.00 H new ATOM 0 HD3 ARG B 2 12.329 4.168 -18.716 1.00 0.00 H new ATOM 0 HE ARG B 2 14.603 2.683 -19.255 1.00 0.00 H new ATOM 0 HH11 ARG B 2 12.301 4.370 -21.361 1.00 0.00 H new ATOM 0 HH12 ARG B 2 13.536 4.778 -22.557 1.00 0.00 H new ATOM 0 HH21 ARG B 2 16.155 3.239 -20.782 1.00 0.00 H new ATOM 0 HH22 ARG B 2 15.700 4.142 -22.231 1.00 0.00 H new ATOM 918 N THR B 3 15.335 3.887 -14.673 1.00 0.00 N ATOM 919 CA THR B 3 16.219 3.864 -13.498 1.00 0.00 C ATOM 920 C THR B 3 15.509 4.534 -12.300 1.00 0.00 C ATOM 921 O THR B 3 15.648 5.737 -12.063 1.00 0.00 O ATOM 922 CB THR B 3 17.574 4.580 -13.827 1.00 0.00 C ATOM 923 OG1 THR B 3 18.111 4.031 -15.044 1.00 0.00 O ATOM 924 CG2 THR B 3 18.608 4.438 -12.688 1.00 0.00 C ATOM 0 H THR B 3 15.707 4.440 -15.445 1.00 0.00 H new ATOM 0 HA THR B 3 16.443 2.831 -13.232 1.00 0.00 H new ATOM 0 HB THR B 3 17.370 5.644 -13.943 1.00 0.00 H new ATOM 0 HG1 THR B 3 18.958 4.475 -15.257 1.00 0.00 H new ATOM 0 HG21 THR B 3 19.528 4.951 -12.966 1.00 0.00 H new ATOM 0 HG22 THR B 3 18.207 4.880 -11.776 1.00 0.00 H new ATOM 0 HG23 THR B 3 18.819 3.382 -12.517 1.00 0.00 H new ATOM 932 N LYS B 4 14.678 3.730 -11.614 1.00 0.00 N ATOM 933 CA LYS B 4 13.776 4.178 -10.543 1.00 0.00 C ATOM 934 C LYS B 4 13.685 3.084 -9.475 1.00 0.00 C ATOM 935 O LYS B 4 13.181 1.988 -9.748 1.00 0.00 O ATOM 936 CB LYS B 4 12.354 4.502 -11.120 1.00 0.00 C ATOM 937 CG LYS B 4 12.246 5.794 -11.990 1.00 0.00 C ATOM 938 CD LYS B 4 11.907 7.085 -11.191 1.00 0.00 C ATOM 939 CE LYS B 4 12.943 7.483 -10.131 1.00 0.00 C ATOM 940 NZ LYS B 4 14.260 7.785 -10.732 1.00 0.00 N ATOM 0 H LYS B 4 14.615 2.728 -11.794 1.00 0.00 H new ATOM 0 HA LYS B 4 14.172 5.090 -10.095 1.00 0.00 H new ATOM 0 HB2 LYS B 4 12.026 3.654 -11.722 1.00 0.00 H new ATOM 0 HB3 LYS B 4 11.657 4.590 -10.287 1.00 0.00 H new ATOM 0 HG2 LYS B 4 13.190 5.944 -12.514 1.00 0.00 H new ATOM 0 HG3 LYS B 4 11.480 5.641 -12.751 1.00 0.00 H new ATOM 0 HD2 LYS B 4 11.794 7.910 -11.894 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.943 6.949 -10.702 1.00 0.00 H new ATOM 0 HE2 LYS B 4 12.585 8.355 -9.584 1.00 0.00 H new ATOM 0 HE3 LYS B 4 13.051 6.675 -9.408 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 14.931 8.049 -9.983 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 14.614 6.945 -11.233 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 14.163 8.573 -11.403 1.00 0.00 H new ATOM 954 N GLN B 5 14.187 3.387 -8.274 1.00 0.00 N ATOM 955 CA GLN B 5 14.214 2.442 -7.150 1.00 0.00 C ATOM 956 C GLN B 5 12.984 2.633 -6.257 1.00 0.00 C ATOM 957 O GLN B 5 12.380 3.707 -6.238 1.00 0.00 O ATOM 958 CB GLN B 5 15.521 2.639 -6.341 1.00 0.00 C ATOM 959 CG GLN B 5 16.805 2.357 -7.144 1.00 0.00 C ATOM 960 CD GLN B 5 16.972 0.894 -7.555 1.00 0.00 C ATOM 961 OE1 GLN B 5 16.557 -0.022 -6.842 1.00 0.00 O ATOM 962 NE2 GLN B 5 17.572 0.664 -8.713 1.00 0.00 N ATOM 0 H GLN B 5 14.588 4.298 -8.052 1.00 0.00 H new ATOM 0 HA GLN B 5 14.189 1.423 -7.537 1.00 0.00 H new ATOM 0 HB2 GLN B 5 15.555 3.663 -5.969 1.00 0.00 H new ATOM 0 HB3 GLN B 5 15.499 1.984 -5.470 1.00 0.00 H new ATOM 0 HG2 GLN B 5 16.805 2.978 -8.040 1.00 0.00 H new ATOM 0 HG3 GLN B 5 17.667 2.657 -6.548 1.00 0.00 H new ATOM 0 HE21 GLN B 5 17.904 1.445 -9.279 1.00 0.00 H new ATOM 0 HE22 GLN B 5 17.702 -0.294 -9.039 1.00 0.00 H new ATOM 971 N THR B 6 12.619 1.580 -5.520 1.00 0.00 N ATOM 972 CA THR B 6 11.473 1.591 -4.600 1.00 0.00 C ATOM 973 C THR B 6 11.986 1.531 -3.150 1.00 0.00 C ATOM 974 O THR B 6 12.922 0.785 -2.839 1.00 0.00 O ATOM 975 CB THR B 6 10.517 0.384 -4.891 1.00 0.00 C ATOM 976 OG1 THR B 6 10.140 0.392 -6.284 1.00 0.00 O ATOM 977 CG2 THR B 6 9.243 0.403 -4.017 1.00 0.00 C ATOM 0 H THR B 6 13.113 0.688 -5.544 1.00 0.00 H new ATOM 0 HA THR B 6 10.907 2.511 -4.747 1.00 0.00 H new ATOM 0 HB THR B 6 11.066 -0.525 -4.644 1.00 0.00 H new ATOM 0 HG1 THR B 6 9.544 -0.364 -6.466 1.00 0.00 H new ATOM 0 HG21 THR B 6 8.620 -0.457 -4.263 1.00 0.00 H new ATOM 0 HG22 THR B 6 9.523 0.359 -2.965 1.00 0.00 H new ATOM 0 HG23 THR B 6 8.686 1.321 -4.206 1.00 0.00 H new ATOM 985 N ALA B 7 11.377 2.339 -2.280 1.00 0.00 N ATOM 986 CA ALA B 7 11.677 2.370 -0.848 1.00 0.00 C ATOM 987 C ALA B 7 10.375 2.249 -0.066 1.00 0.00 C ATOM 988 O ALA B 7 9.329 2.750 -0.491 1.00 0.00 O ATOM 989 CB ALA B 7 12.418 3.649 -0.486 1.00 0.00 C ATOM 0 H ALA B 7 10.651 3.000 -2.555 1.00 0.00 H new ATOM 0 HA ALA B 7 12.325 1.532 -0.591 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.633 3.655 0.583 1.00 0.00 H new ATOM 0 HB2 ALA B 7 13.353 3.698 -1.044 1.00 0.00 H new ATOM 0 HB3 ALA B 7 11.800 4.511 -0.737 1.00 0.00 H new ATOM 995 N ARG B 8 10.450 1.577 1.077 1.00 0.00 N ATOM 996 CA ARG B 8 9.277 1.226 1.879 1.00 0.00 C ATOM 997 C ARG B 8 9.207 2.124 3.120 1.00 0.00 C ATOM 998 O ARG B 8 10.236 2.450 3.713 1.00 0.00 O ATOM 999 CB ARG B 8 9.364 -0.278 2.255 1.00 0.00 C ATOM 1000 CG ARG B 8 9.628 -1.205 1.034 1.00 0.00 C ATOM 1001 CD ARG B 8 9.695 -2.694 1.403 1.00 0.00 C ATOM 1002 NE ARG B 8 10.016 -3.542 0.243 1.00 0.00 N ATOM 1003 CZ ARG B 8 11.240 -3.992 -0.067 1.00 0.00 C ATOM 1004 NH1 ARG B 8 12.305 -3.649 0.657 1.00 0.00 N ATOM 1005 NH2 ARG B 8 11.399 -4.775 -1.118 1.00 0.00 N ATOM 0 H ARG B 8 11.331 1.257 1.479 1.00 0.00 H new ATOM 0 HA ARG B 8 8.361 1.388 1.311 1.00 0.00 H new ATOM 0 HB2 ARG B 8 10.160 -0.417 2.986 1.00 0.00 H new ATOM 0 HB3 ARG B 8 8.433 -0.579 2.736 1.00 0.00 H new ATOM 0 HG2 ARG B 8 8.839 -1.056 0.297 1.00 0.00 H new ATOM 0 HG3 ARG B 8 10.566 -0.913 0.561 1.00 0.00 H new ATOM 0 HD2 ARG B 8 10.448 -2.841 2.177 1.00 0.00 H new ATOM 0 HD3 ARG B 8 8.739 -3.005 1.825 1.00 0.00 H new ATOM 0 HE ARG B 8 9.247 -3.808 -0.373 1.00 0.00 H new ATOM 0 HH11 ARG B 8 12.197 -3.034 1.463 1.00 0.00 H new ATOM 0 HH12 ARG B 8 13.228 -4.002 0.405 1.00 0.00 H new ATOM 0 HH21 ARG B 8 10.594 -5.034 -1.688 1.00 0.00 H new ATOM 0 HH22 ARG B 8 12.327 -5.121 -1.360 1.00 0.00 H new HETATM 1019 N M3L B 9 7.992 2.554 3.471 1.00 0.00 N HETATM 1020 CA M3L B 9 7.726 3.308 4.709 1.00 0.00 C HETATM 1021 CB M3L B 9 6.813 4.530 4.413 1.00 0.00 C HETATM 1022 CG M3L B 9 7.428 5.592 3.473 1.00 0.00 C HETATM 1023 CD M3L B 9 6.497 6.811 3.297 1.00 0.00 C HETATM 1024 CE M3L B 9 7.129 7.949 2.455 1.00 0.00 C HETATM 1025 NZ M3L B 9 6.258 9.229 2.390 1.00 0.00 N HETATM 1026 C M3L B 9 7.074 2.373 5.743 1.00 0.00 C HETATM 1027 O M3L B 9 7.091 1.141 5.575 1.00 0.00 O HETATM 1028 CM1 M3L B 9 6.028 9.769 3.808 1.00 0.00 C HETATM 1029 CM2 M3L B 9 6.979 10.308 1.559 1.00 0.00 C HETATM 1030 CM3 M3L B 9 4.903 8.909 1.739 1.00 0.00 C HETATM 0 HM33 M3L B 9 5.064 8.533 0.729 1.00 0.00 H new HETATM 0 HM32 M3L B 9 4.385 8.153 2.329 1.00 0.00 H new HETATM 0 HM31 M3L B 9 4.297 9.814 1.697 1.00 0.00 H new HETATM 0 HM23 M3L B 9 7.936 10.546 2.024 1.00 0.00 H new HETATM 0 HM22 M3L B 9 7.149 9.936 0.549 1.00 0.00 H new HETATM 0 HM21 M3L B 9 6.363 11.206 1.516 1.00 0.00 H new HETATM 0 HM13 M3L B 9 5.518 9.014 4.406 1.00 0.00 H new HETATM 0 HM12 M3L B 9 6.988 10.008 4.267 1.00 0.00 H new HETATM 0 HM11 M3L B 9 5.415 10.669 3.760 1.00 0.00 H new HETATM 0 HG3 M3L B 9 8.386 5.922 3.875 1.00 0.00 H new HETATM 0 HG2 M3L B 9 7.628 5.144 2.500 1.00 0.00 H new HETATM 0 HE3 M3L B 9 8.102 8.203 2.875 1.00 0.00 H new HETATM 0 HE2 M3L B 9 7.303 7.586 1.442 1.00 0.00 H new HETATM 0 HD3 M3L B 9 5.572 6.487 2.821 1.00 0.00 H new HETATM 0 HD2 M3L B 9 6.230 7.201 4.279 1.00 0.00 H new HETATM 0 HB3 M3L B 9 5.883 4.171 3.972 1.00 0.00 H new HETATM 0 HB2 M3L B 9 6.554 5.009 5.358 1.00 0.00 H new HETATM 0 HA M3L B 9 8.665 3.684 5.115 1.00 0.00 H new HETATM 0 H M3L B 9 7.590 2.866 2.587 1.00 0.00 H new ATOM 1050 N SER B 10 6.510 2.971 6.816 1.00 0.00 N ATOM 1051 CA SER B 10 5.741 2.244 7.847 1.00 0.00 C ATOM 1052 C SER B 10 4.433 1.654 7.258 1.00 0.00 C ATOM 1053 O SER B 10 4.033 2.011 6.132 1.00 0.00 O ATOM 1054 CB SER B 10 5.426 3.194 9.033 1.00 0.00 C ATOM 1055 OG SER B 10 4.845 2.503 10.132 1.00 0.00 O ATOM 0 H SER B 10 6.576 3.974 6.990 1.00 0.00 H new ATOM 0 HA SER B 10 6.346 1.412 8.207 1.00 0.00 H new ATOM 0 HB2 SER B 10 6.344 3.684 9.358 1.00 0.00 H new ATOM 0 HB3 SER B 10 4.747 3.978 8.698 1.00 0.00 H new ATOM 0 HG SER B 10 4.664 3.136 10.858 1.00 0.00 H new ATOM 1061 N THR B 11 3.780 0.767 8.047 1.00 0.00 N ATOM 1062 CA THR B 11 2.595 -0.022 7.635 1.00 0.00 C ATOM 1063 C THR B 11 2.853 -0.746 6.290 1.00 0.00 C ATOM 1064 O THR B 11 2.420 -0.301 5.217 1.00 0.00 O ATOM 1065 CB THR B 11 1.256 0.816 7.623 1.00 0.00 C ATOM 1066 OG1 THR B 11 1.355 1.942 6.735 1.00 0.00 O ATOM 1067 CG2 THR B 11 0.889 1.314 9.035 1.00 0.00 C ATOM 0 H THR B 11 4.069 0.577 9.007 1.00 0.00 H new ATOM 0 HA THR B 11 2.443 -0.784 8.400 1.00 0.00 H new ATOM 0 HB THR B 11 0.470 0.149 7.269 1.00 0.00 H new ATOM 0 HG1 THR B 11 2.248 1.963 6.332 1.00 0.00 H new ATOM 0 HG21 THR B 11 -0.037 1.887 8.989 1.00 0.00 H new ATOM 0 HG22 THR B 11 0.755 0.460 9.699 1.00 0.00 H new ATOM 0 HG23 THR B 11 1.689 1.948 9.417 1.00 0.00 H new ATOM 1075 N GLY B 12 3.641 -1.829 6.377 1.00 0.00 N ATOM 1076 CA GLY B 12 4.105 -2.572 5.217 1.00 0.00 C ATOM 1077 C GLY B 12 5.514 -3.086 5.443 1.00 0.00 C ATOM 1078 O GLY B 12 5.701 -4.084 6.147 1.00 0.00 O ATOM 0 H GLY B 12 3.971 -2.208 7.265 1.00 0.00 H new ATOM 0 HA2 GLY B 12 3.434 -3.408 5.021 1.00 0.00 H new ATOM 0 HA3 GLY B 12 4.082 -1.932 4.335 1.00 0.00 H new ATOM 1082 N GLY B 13 6.507 -2.387 4.858 1.00 0.00 N ATOM 1083 CA GLY B 13 7.918 -2.779 4.955 1.00 0.00 C ATOM 1084 C GLY B 13 8.249 -4.063 4.195 1.00 0.00 C ATOM 1085 O GLY B 13 9.349 -4.597 4.327 1.00 0.00 O ATOM 0 H GLY B 13 6.350 -1.541 4.310 1.00 0.00 H new ATOM 0 HA2 GLY B 13 8.539 -1.969 4.572 1.00 0.00 H new ATOM 0 HA3 GLY B 13 8.179 -2.911 6.005 1.00 0.00 H new ATOM 1089 N LYS B 14 7.300 -4.534 3.355 1.00 0.00 N ATOM 1090 CA LYS B 14 7.402 -5.803 2.612 1.00 0.00 C ATOM 1091 C LYS B 14 6.745 -5.636 1.226 1.00 0.00 C ATOM 1092 O LYS B 14 5.544 -5.351 1.140 1.00 0.00 O ATOM 1093 CB LYS B 14 6.699 -6.961 3.402 1.00 0.00 C ATOM 1094 CG LYS B 14 7.408 -7.442 4.710 1.00 0.00 C ATOM 1095 CD LYS B 14 8.411 -8.616 4.508 1.00 0.00 C ATOM 1096 CE LYS B 14 9.654 -8.278 3.662 1.00 0.00 C ATOM 1097 NZ LYS B 14 10.499 -7.221 4.272 1.00 0.00 N ATOM 0 H LYS B 14 6.430 -4.033 3.174 1.00 0.00 H new ATOM 0 HA LYS B 14 8.454 -6.060 2.490 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.691 -6.636 3.660 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.597 -7.817 2.735 1.00 0.00 H new ATOM 0 HG2 LYS B 14 7.940 -6.599 5.151 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.648 -7.750 5.428 1.00 0.00 H new ATOM 0 HD2 LYS B 14 8.741 -8.963 5.487 1.00 0.00 H new ATOM 0 HD3 LYS B 14 7.885 -9.446 4.036 1.00 0.00 H new ATOM 0 HE2 LYS B 14 10.251 -9.180 3.526 1.00 0.00 H new ATOM 0 HE3 LYS B 14 9.336 -7.954 2.671 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 11.391 -7.142 3.744 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 9.995 -6.312 4.239 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 10.703 -7.468 5.262 1.00 0.00 H new ATOM 1111 N ALA B 15 7.544 -5.802 0.159 1.00 0.00 N ATOM 1112 CA ALA B 15 7.066 -5.762 -1.238 1.00 0.00 C ATOM 1113 C ALA B 15 8.100 -6.473 -2.144 1.00 0.00 C ATOM 1114 O ALA B 15 7.953 -7.691 -2.391 1.00 0.00 O ATOM 1115 CB ALA B 15 6.795 -4.308 -1.693 1.00 0.00 C ATOM 1116 OXT ALA B 15 9.086 -5.827 -2.554 1.00 0.00 O ATOM 0 H ALA B 15 8.547 -5.969 0.239 1.00 0.00 H new ATOM 0 HA ALA B 15 6.115 -6.290 -1.315 1.00 0.00 H new ATOM 0 HB1 ALA B 15 6.444 -4.309 -2.725 1.00 0.00 H new ATOM 0 HB2 ALA B 15 6.035 -3.862 -1.052 1.00 0.00 H new ATOM 0 HB3 ALA B 15 7.715 -3.727 -1.623 1.00 0.00 H new TER 1122 ALA B 15