USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 475 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -152:sc= -0.465 (180deg=-1.59!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0449 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.0472 X(o=-0.047,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.2 K(o=0.2,f=-2.6!) USER MOD Single : A 40 THR OG1 : rot -170:sc= -0.807 USER MOD Single : A 44 TYR OH : rot -116:sc= 0.274 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 84:sc= 0.809 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 54 THR OG1 : rot 92:sc= 1.17 USER MOD Single : A 56 GLN : amide:sc= -0.159 K(o=-0.16,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.450 1.019 -2.242 1.00 0.00 N ATOM 2 CA GLY A 1 9.172 0.660 -2.829 1.00 0.00 C ATOM 3 C GLY A 1 8.086 1.672 -2.519 1.00 0.00 C ATOM 4 O GLY A 1 8.311 2.879 -2.606 1.00 0.00 O ATOM 0 H1 GLY A 1 11.220 0.625 -2.819 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.538 2.055 -2.208 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.509 0.635 -1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.284 0.572 -3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.868 -0.319 -2.459 1.00 0.00 H new ATOM 8 N SER A 2 6.906 1.179 -2.158 1.00 0.00 N ATOM 9 CA SER A 2 5.780 2.049 -1.840 1.00 0.00 C ATOM 10 C SER A 2 5.905 2.604 -0.424 1.00 0.00 C ATOM 11 O SER A 2 5.823 3.813 -0.210 1.00 0.00 O ATOM 12 CB SER A 2 4.461 1.286 -1.986 1.00 0.00 C ATOM 13 OG SER A 2 4.663 0.039 -2.628 1.00 0.00 O ATOM 0 H SER A 2 6.705 0.182 -2.078 1.00 0.00 H new ATOM 0 HA SER A 2 5.789 2.884 -2.541 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.019 1.125 -1.003 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.753 1.884 -2.560 1.00 0.00 H new ATOM 0 HG SER A 2 3.806 -0.430 -2.708 1.00 0.00 H new ATOM 19 N MET A 3 6.104 1.710 0.539 1.00 0.00 N ATOM 20 CA MET A 3 6.241 2.109 1.935 1.00 0.00 C ATOM 21 C MET A 3 7.554 2.852 2.161 1.00 0.00 C ATOM 22 O MET A 3 7.588 3.877 2.841 1.00 0.00 O ATOM 23 CB MET A 3 6.172 0.883 2.848 1.00 0.00 C ATOM 24 CG MET A 3 5.558 1.173 4.208 1.00 0.00 C ATOM 25 SD MET A 3 5.445 -0.298 5.246 1.00 0.00 S ATOM 26 CE MET A 3 5.271 0.444 6.866 1.00 0.00 C ATOM 0 H MET A 3 6.174 0.705 0.378 1.00 0.00 H new ATOM 0 HA MET A 3 5.417 2.780 2.178 1.00 0.00 H new ATOM 0 HB2 MET A 3 5.590 0.105 2.354 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.178 0.488 2.989 1.00 0.00 H new ATOM 0 HG2 MET A 3 6.155 1.928 4.719 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.562 1.594 4.071 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.189 -0.340 7.619 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.143 1.062 7.079 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.374 1.063 6.888 1.00 0.00 H new ATOM 36 N GLU A 4 8.632 2.327 1.587 1.00 0.00 N ATOM 37 CA GLU A 4 9.947 2.942 1.728 1.00 0.00 C ATOM 38 C GLU A 4 9.910 4.409 1.311 1.00 0.00 C ATOM 39 O GLU A 4 10.357 5.287 2.049 1.00 0.00 O ATOM 40 CB GLU A 4 10.980 2.187 0.887 1.00 0.00 C ATOM 41 CG GLU A 4 12.417 2.550 1.220 1.00 0.00 C ATOM 42 CD GLU A 4 13.421 1.632 0.550 1.00 0.00 C ATOM 43 OE1 GLU A 4 13.650 1.793 -0.668 1.00 0.00 O ATOM 44 OE2 GLU A 4 13.976 0.753 1.241 1.00 0.00 O ATOM 0 H GLU A 4 8.621 1.479 1.021 1.00 0.00 H new ATOM 0 HA GLU A 4 10.234 2.888 2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.842 1.116 1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.797 2.392 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.609 3.578 0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.557 2.509 2.300 1.00 0.00 H new ATOM 51 N ARG A 5 9.375 4.667 0.122 1.00 0.00 N ATOM 52 CA ARG A 5 9.280 6.027 -0.395 1.00 0.00 C ATOM 53 C ARG A 5 8.367 6.879 0.481 1.00 0.00 C ATOM 54 O ARG A 5 8.596 8.077 0.654 1.00 0.00 O ATOM 55 CB ARG A 5 8.758 6.013 -1.833 1.00 0.00 C ATOM 56 CG ARG A 5 8.730 7.387 -2.484 1.00 0.00 C ATOM 57 CD ARG A 5 9.991 7.645 -3.294 1.00 0.00 C ATOM 58 NE ARG A 5 9.691 8.212 -4.606 1.00 0.00 N ATOM 59 CZ ARG A 5 10.598 8.803 -5.376 1.00 0.00 C ATOM 60 NH1 ARG A 5 11.855 8.904 -4.966 1.00 0.00 N ATOM 61 NH2 ARG A 5 10.249 9.294 -6.558 1.00 0.00 N ATOM 0 H ARG A 5 9.001 3.952 -0.502 1.00 0.00 H new ATOM 0 HA ARG A 5 10.278 6.465 -0.382 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.383 5.350 -2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.751 5.596 -1.841 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.857 7.466 -3.132 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.627 8.153 -1.715 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.642 8.326 -2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.539 6.711 -3.419 1.00 0.00 H new ATOM 0 HE ARG A 5 8.733 8.151 -4.950 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.127 8.528 -4.058 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.550 9.358 -5.559 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.283 9.218 -6.877 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.947 9.747 -7.148 1.00 0.00 H new ATOM 75 N LEU A 6 7.332 6.254 1.031 1.00 0.00 N ATOM 76 CA LEU A 6 6.383 6.956 1.889 1.00 0.00 C ATOM 77 C LEU A 6 7.073 7.493 3.139 1.00 0.00 C ATOM 78 O LEU A 6 7.095 8.700 3.377 1.00 0.00 O ATOM 79 CB LEU A 6 5.238 6.022 2.286 1.00 0.00 C ATOM 80 CG LEU A 6 3.994 6.695 2.868 1.00 0.00 C ATOM 81 CD1 LEU A 6 2.869 6.713 1.846 1.00 0.00 C ATOM 82 CD2 LEU A 6 3.551 5.987 4.140 1.00 0.00 C ATOM 0 H LEU A 6 7.128 5.263 0.899 1.00 0.00 H new ATOM 0 HA LEU A 6 5.979 7.799 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.940 5.451 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.616 5.307 3.017 1.00 0.00 H new ATOM 0 HG LEU A 6 4.245 7.726 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.992 7.196 2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.189 7.266 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.618 5.691 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.665 6.479 4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.318 4.946 3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.353 6.028 4.877 1.00 0.00 H new ATOM 94 N ARG A 7 7.636 6.588 3.932 1.00 0.00 N ATOM 95 CA ARG A 7 8.328 6.971 5.157 1.00 0.00 C ATOM 96 C ARG A 7 9.530 7.859 4.848 1.00 0.00 C ATOM 97 O ARG A 7 9.854 8.769 5.610 1.00 0.00 O ATOM 98 CB ARG A 7 8.783 5.726 5.922 1.00 0.00 C ATOM 99 CG ARG A 7 9.413 6.036 7.270 1.00 0.00 C ATOM 100 CD ARG A 7 10.931 6.004 7.196 1.00 0.00 C ATOM 101 NE ARG A 7 11.448 4.639 7.153 1.00 0.00 N ATOM 102 CZ ARG A 7 12.668 4.328 6.730 1.00 0.00 C ATOM 103 NH1 ARG A 7 13.492 5.280 6.315 1.00 0.00 N ATOM 104 NH2 ARG A 7 13.066 3.062 6.721 1.00 0.00 N ATOM 0 H ARG A 7 7.627 5.585 3.749 1.00 0.00 H new ATOM 0 HA ARG A 7 7.631 7.535 5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.926 5.070 6.073 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.501 5.178 5.312 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.085 7.019 7.609 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.068 5.313 8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.262 6.545 6.310 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.347 6.522 8.060 1.00 0.00 H new ATOM 0 HE ARG A 7 10.839 3.883 7.465 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.190 6.254 6.320 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.428 5.038 5.991 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.435 2.327 7.039 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.003 2.824 6.396 1.00 0.00 H new ATOM 118 N ASP A 8 10.187 7.586 3.726 1.00 0.00 N ATOM 119 CA ASP A 8 11.352 8.360 3.315 1.00 0.00 C ATOM 120 C ASP A 8 10.963 9.799 2.991 1.00 0.00 C ATOM 121 O ASP A 8 11.479 10.743 3.589 1.00 0.00 O ATOM 122 CB ASP A 8 12.019 7.713 2.100 1.00 0.00 C ATOM 123 CG ASP A 8 13.206 8.511 1.598 1.00 0.00 C ATOM 124 OD1 ASP A 8 14.169 8.694 2.372 1.00 0.00 O ATOM 125 OD2 ASP A 8 13.172 8.951 0.430 1.00 0.00 O ATOM 0 H ASP A 8 9.932 6.834 3.085 1.00 0.00 H new ATOM 0 HA ASP A 8 12.059 8.372 4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.346 6.707 2.362 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.287 7.612 1.298 1.00 0.00 H new ATOM 130 N VAL A 9 10.049 9.959 2.039 1.00 0.00 N ATOM 131 CA VAL A 9 9.589 11.282 1.634 1.00 0.00 C ATOM 132 C VAL A 9 8.898 12.000 2.788 1.00 0.00 C ATOM 133 O VAL A 9 9.193 13.160 3.076 1.00 0.00 O ATOM 134 CB VAL A 9 8.620 11.199 0.441 1.00 0.00 C ATOM 135 CG1 VAL A 9 8.121 12.585 0.060 1.00 0.00 C ATOM 136 CG2 VAL A 9 9.291 10.520 -0.744 1.00 0.00 C ATOM 0 H VAL A 9 9.612 9.188 1.534 1.00 0.00 H new ATOM 0 HA VAL A 9 10.472 11.847 1.335 1.00 0.00 H new ATOM 0 HB VAL A 9 7.760 10.598 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.437 12.506 -0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.600 13.030 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.968 13.213 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.592 10.470 -1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.170 11.092 -1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.593 9.511 -0.462 1.00 0.00 H new ATOM 146 N ARG A 10 7.977 11.303 3.444 1.00 0.00 N ATOM 147 CA ARG A 10 7.242 11.874 4.567 1.00 0.00 C ATOM 148 C ARG A 10 8.200 12.393 5.636 1.00 0.00 C ATOM 149 O ARG A 10 8.085 13.533 6.084 1.00 0.00 O ATOM 150 CB ARG A 10 6.302 10.830 5.173 1.00 0.00 C ATOM 151 CG ARG A 10 5.587 11.309 6.425 1.00 0.00 C ATOM 152 CD ARG A 10 4.077 11.184 6.287 1.00 0.00 C ATOM 153 NE ARG A 10 3.374 11.742 7.440 1.00 0.00 N ATOM 154 CZ ARG A 10 3.226 13.045 7.649 1.00 0.00 C ATOM 155 NH1 ARG A 10 3.728 13.920 6.789 1.00 0.00 N ATOM 156 NH2 ARG A 10 2.573 13.476 8.722 1.00 0.00 N ATOM 0 H ARG A 10 7.721 10.342 3.218 1.00 0.00 H new ATOM 0 HA ARG A 10 6.652 12.711 4.194 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.560 10.545 4.427 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.874 9.933 5.412 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.924 10.727 7.283 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.851 12.348 6.621 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.752 11.696 5.381 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.809 10.134 6.173 1.00 0.00 H new ATOM 0 HE ARG A 10 2.975 11.096 8.121 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.230 13.593 5.963 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.612 14.920 6.953 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.185 12.806 9.386 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.460 14.477 8.882 1.00 0.00 H new ATOM 170 N GLU A 11 9.144 11.547 6.038 1.00 0.00 N ATOM 171 CA GLU A 11 10.119 11.921 7.055 1.00 0.00 C ATOM 172 C GLU A 11 11.026 13.041 6.554 1.00 0.00 C ATOM 173 O GLU A 11 11.323 13.987 7.284 1.00 0.00 O ATOM 174 CB GLU A 11 10.962 10.708 7.455 1.00 0.00 C ATOM 175 CG GLU A 11 11.809 10.937 8.695 1.00 0.00 C ATOM 176 CD GLU A 11 13.291 11.017 8.384 1.00 0.00 C ATOM 177 OE1 GLU A 11 13.654 11.679 7.390 1.00 0.00 O ATOM 178 OE2 GLU A 11 14.088 10.416 9.135 1.00 0.00 O ATOM 0 H GLU A 11 9.254 10.600 5.675 1.00 0.00 H new ATOM 0 HA GLU A 11 9.575 12.281 7.928 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.301 9.859 7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.615 10.440 6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.493 11.861 9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.634 10.128 9.404 1.00 0.00 H new ATOM 185 N ARG A 12 11.462 12.927 5.304 1.00 0.00 N ATOM 186 CA ARG A 12 12.336 13.928 4.705 1.00 0.00 C ATOM 187 C ARG A 12 11.666 15.299 4.695 1.00 0.00 C ATOM 188 O ARG A 12 12.278 16.304 5.057 1.00 0.00 O ATOM 189 CB ARG A 12 12.711 13.522 3.279 1.00 0.00 C ATOM 190 CG ARG A 12 13.870 12.540 3.210 1.00 0.00 C ATOM 191 CD ARG A 12 15.210 13.258 3.228 1.00 0.00 C ATOM 192 NE ARG A 12 16.063 12.798 4.321 1.00 0.00 N ATOM 193 CZ ARG A 12 16.715 11.641 4.308 1.00 0.00 C ATOM 194 NH1 ARG A 12 16.612 10.830 3.264 1.00 0.00 N ATOM 195 NH2 ARG A 12 17.471 11.292 5.341 1.00 0.00 N ATOM 0 H ARG A 12 11.224 12.151 4.686 1.00 0.00 H new ATOM 0 HA ARG A 12 13.242 13.989 5.308 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.841 13.078 2.796 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.969 14.416 2.712 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.814 11.850 4.052 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.788 11.942 2.302 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.720 13.098 2.278 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.045 14.331 3.324 1.00 0.00 H new ATOM 0 HE ARG A 12 16.163 13.399 5.139 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.031 11.094 2.468 1.00 0.00 H new ATOM 0 HH12 ARG A 12 17.114 9.942 3.257 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.552 11.913 6.146 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.971 10.403 5.330 1.00 0.00 H new ATOM 209 N LEU A 13 10.405 15.332 4.277 1.00 0.00 N ATOM 210 CA LEU A 13 9.651 16.579 4.219 1.00 0.00 C ATOM 211 C LEU A 13 9.453 17.161 5.615 1.00 0.00 C ATOM 212 O LEU A 13 9.712 18.342 5.847 1.00 0.00 O ATOM 213 CB LEU A 13 8.293 16.346 3.554 1.00 0.00 C ATOM 214 CG LEU A 13 7.912 17.327 2.445 1.00 0.00 C ATOM 215 CD1 LEU A 13 6.595 16.920 1.801 1.00 0.00 C ATOM 216 CD2 LEU A 13 7.823 18.744 2.994 1.00 0.00 C ATOM 0 H LEU A 13 9.884 14.510 3.973 1.00 0.00 H new ATOM 0 HA LEU A 13 10.222 17.293 3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.282 15.338 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.523 16.382 4.324 1.00 0.00 H new ATOM 0 HG LEU A 13 8.689 17.302 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.340 17.630 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.693 15.923 1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.808 16.916 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.551 19.429 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.066 18.784 3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.788 19.035 3.408 1.00 0.00 H new ATOM 228 N GLN A 14 8.993 16.325 6.540 1.00 0.00 N ATOM 229 CA GLN A 14 8.763 16.757 7.913 1.00 0.00 C ATOM 230 C GLN A 14 10.001 17.439 8.484 1.00 0.00 C ATOM 231 O GLN A 14 9.978 18.629 8.795 1.00 0.00 O ATOM 232 CB GLN A 14 8.374 15.563 8.787 1.00 0.00 C ATOM 233 CG GLN A 14 7.045 14.934 8.402 1.00 0.00 C ATOM 234 CD GLN A 14 5.917 15.337 9.331 1.00 0.00 C ATOM 235 OE1 GLN A 14 5.398 14.517 10.089 1.00 0.00 O ATOM 236 NE2 GLN A 14 5.531 16.607 9.277 1.00 0.00 N ATOM 0 H GLN A 14 8.772 15.345 6.363 1.00 0.00 H new ATOM 0 HA GLN A 14 7.945 17.477 7.909 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.156 14.807 8.723 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.326 15.885 9.827 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.792 15.224 7.382 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.146 13.849 8.409 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.989 17.252 8.634 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.776 16.937 9.879 1.00 0.00 H new ATOM 245 N ALA A 15 11.081 16.676 8.620 1.00 0.00 N ATOM 246 CA ALA A 15 12.329 17.208 9.153 1.00 0.00 C ATOM 247 C ALA A 15 12.792 18.423 8.357 1.00 0.00 C ATOM 248 O ALA A 15 13.257 19.410 8.928 1.00 0.00 O ATOM 249 CB ALA A 15 13.405 16.131 9.149 1.00 0.00 C ATOM 0 H ALA A 15 11.117 15.688 8.369 1.00 0.00 H new ATOM 0 HA ALA A 15 12.151 17.526 10.180 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.332 16.541 9.549 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.083 15.292 9.766 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.572 15.787 8.128 1.00 0.00 H new ATOM 255 N TRP A 16 12.664 18.345 7.038 1.00 0.00 N ATOM 256 CA TRP A 16 13.070 19.439 6.164 1.00 0.00 C ATOM 257 C TRP A 16 12.452 20.757 6.617 1.00 0.00 C ATOM 258 O TRP A 16 13.126 21.596 7.212 1.00 0.00 O ATOM 259 CB TRP A 16 12.666 19.143 4.719 1.00 0.00 C ATOM 260 CG TRP A 16 12.828 20.318 3.803 1.00 0.00 C ATOM 261 CD1 TRP A 16 11.866 20.883 3.016 1.00 0.00 C ATOM 262 CD2 TRP A 16 14.026 21.070 3.579 1.00 0.00 C ATOM 263 NE1 TRP A 16 12.393 21.941 2.315 1.00 0.00 N ATOM 264 CE2 TRP A 16 13.716 22.077 2.644 1.00 0.00 C ATOM 265 CE3 TRP A 16 15.328 20.993 4.078 1.00 0.00 C ATOM 266 CZ2 TRP A 16 14.663 22.997 2.200 1.00 0.00 C ATOM 267 CZ3 TRP A 16 16.267 21.906 3.636 1.00 0.00 C ATOM 268 CH2 TRP A 16 15.930 22.897 2.705 1.00 0.00 C ATOM 0 H TRP A 16 12.282 17.535 6.550 1.00 0.00 H new ATOM 0 HA TRP A 16 14.155 19.530 6.219 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.266 18.314 4.344 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.626 18.817 4.700 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.841 20.548 2.954 1.00 0.00 H new ATOM 0 HE1 TRP A 16 11.882 22.529 1.657 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.597 20.233 4.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 14.406 23.762 1.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 17.277 21.854 4.015 1.00 0.00 H new ATOM 0 HH2 TRP A 16 16.686 23.596 2.379 1.00 0.00 H new ATOM 279 N GLU A 17 11.165 20.931 6.333 1.00 0.00 N ATOM 280 CA GLU A 17 10.457 22.148 6.713 1.00 0.00 C ATOM 281 C GLU A 17 10.653 22.452 8.195 1.00 0.00 C ATOM 282 O GLU A 17 10.707 23.613 8.600 1.00 0.00 O ATOM 283 CB GLU A 17 8.965 22.014 6.402 1.00 0.00 C ATOM 284 CG GLU A 17 8.269 20.930 7.208 1.00 0.00 C ATOM 285 CD GLU A 17 7.811 21.418 8.568 1.00 0.00 C ATOM 286 OE1 GLU A 17 7.897 22.639 8.820 1.00 0.00 O ATOM 287 OE2 GLU A 17 7.365 20.581 9.381 1.00 0.00 O ATOM 0 H GLU A 17 10.592 20.245 5.841 1.00 0.00 H new ATOM 0 HA GLU A 17 10.870 22.974 6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.475 22.969 6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.842 21.801 5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.408 20.563 6.649 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.948 20.087 7.338 1.00 0.00 H new ATOM 294 N ARG A 18 10.759 21.399 9.000 1.00 0.00 N ATOM 295 CA ARG A 18 10.947 21.553 10.437 1.00 0.00 C ATOM 296 C ARG A 18 12.136 22.462 10.736 1.00 0.00 C ATOM 297 O ARG A 18 11.964 23.619 11.120 1.00 0.00 O ATOM 298 CB ARG A 18 11.159 20.187 11.094 1.00 0.00 C ATOM 299 CG ARG A 18 9.922 19.650 11.795 1.00 0.00 C ATOM 300 CD ARG A 18 9.556 20.495 13.005 1.00 0.00 C ATOM 301 NE ARG A 18 9.190 19.674 14.156 1.00 0.00 N ATOM 302 CZ ARG A 18 8.825 20.175 15.330 1.00 0.00 C ATOM 303 NH1 ARG A 18 8.776 21.488 15.508 1.00 0.00 N ATOM 304 NH2 ARG A 18 8.507 19.362 16.330 1.00 0.00 N ATOM 0 H ARG A 18 10.718 20.431 8.681 1.00 0.00 H new ATOM 0 HA ARG A 18 10.048 22.012 10.848 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.474 19.473 10.334 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.972 20.263 11.817 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.086 19.632 11.096 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.098 18.621 12.108 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.399 21.134 13.269 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.725 21.152 12.750 1.00 0.00 H new ATOM 0 HE ARG A 18 9.216 18.660 14.052 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.019 22.116 14.742 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.495 21.870 16.411 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.543 18.351 16.197 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.227 19.748 17.232 1.00 0.00 H new ATOM 318 N ALA A 19 13.341 21.931 10.557 1.00 0.00 N ATOM 319 CA ALA A 19 14.557 22.694 10.806 1.00 0.00 C ATOM 320 C ALA A 19 14.674 23.870 9.842 1.00 0.00 C ATOM 321 O ALA A 19 15.183 24.932 10.201 1.00 0.00 O ATOM 322 CB ALA A 19 15.778 21.794 10.694 1.00 0.00 C ATOM 0 H ALA A 19 13.501 20.975 10.240 1.00 0.00 H new ATOM 0 HA ALA A 19 14.505 23.092 11.819 1.00 0.00 H new ATOM 0 HB1 ALA A 19 16.679 22.378 10.882 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.706 20.991 11.427 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.825 21.368 9.692 1.00 0.00 H new ATOM 328 N PHE A 20 14.201 23.673 8.616 1.00 0.00 N ATOM 329 CA PHE A 20 14.254 24.717 7.599 1.00 0.00 C ATOM 330 C PHE A 20 13.709 26.034 8.143 1.00 0.00 C ATOM 331 O PHE A 20 14.441 27.016 8.268 1.00 0.00 O ATOM 332 CB PHE A 20 13.458 24.294 6.362 1.00 0.00 C ATOM 333 CG PHE A 20 12.982 25.452 5.532 1.00 0.00 C ATOM 334 CD1 PHE A 20 13.871 26.176 4.754 1.00 0.00 C ATOM 335 CD2 PHE A 20 11.645 25.817 5.529 1.00 0.00 C ATOM 336 CE1 PHE A 20 13.437 27.241 3.988 1.00 0.00 C ATOM 337 CE2 PHE A 20 11.205 26.881 4.765 1.00 0.00 C ATOM 338 CZ PHE A 20 12.102 27.595 3.995 1.00 0.00 C ATOM 0 H PHE A 20 13.777 22.800 8.302 1.00 0.00 H new ATOM 0 HA PHE A 20 15.297 24.864 7.318 1.00 0.00 H new ATOM 0 HB2 PHE A 20 14.079 23.645 5.744 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.597 23.705 6.678 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.916 25.905 4.746 1.00 0.00 H new ATOM 0 HD2 PHE A 20 10.939 25.264 6.131 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.141 27.796 3.385 1.00 0.00 H new ATOM 0 HE2 PHE A 20 10.160 27.154 4.770 1.00 0.00 H new ATOM 0 HZ PHE A 20 11.760 28.429 3.399 1.00 0.00 H new ATOM 348 N ARG A 21 12.419 26.047 8.463 1.00 0.00 N ATOM 349 CA ARG A 21 11.775 27.243 8.992 1.00 0.00 C ATOM 350 C ARG A 21 12.303 27.574 10.385 1.00 0.00 C ATOM 351 O ARG A 21 12.047 28.655 10.916 1.00 0.00 O ATOM 352 CB ARG A 21 10.258 27.052 9.042 1.00 0.00 C ATOM 353 CG ARG A 21 9.520 28.204 9.703 1.00 0.00 C ATOM 354 CD ARG A 21 8.220 28.520 8.981 1.00 0.00 C ATOM 355 NE ARG A 21 7.109 28.707 9.911 1.00 0.00 N ATOM 356 CZ ARG A 21 5.848 28.866 9.527 1.00 0.00 C ATOM 357 NH1 ARG A 21 5.538 28.862 8.237 1.00 0.00 N ATOM 358 NH2 ARG A 21 4.892 29.030 10.433 1.00 0.00 N ATOM 0 H ARG A 21 11.799 25.243 8.365 1.00 0.00 H new ATOM 0 HA ARG A 21 12.008 28.075 8.327 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.883 26.926 8.026 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.034 26.131 9.581 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.308 27.953 10.742 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.157 29.088 9.712 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.348 29.422 8.383 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.983 27.711 8.291 1.00 0.00 H new ATOM 0 HE ARG A 21 7.313 28.716 10.910 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.269 28.737 7.537 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.568 28.984 7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.126 29.034 11.426 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.924 29.152 10.136 1.00 0.00 H new ATOM 372 N ARG A 22 13.039 26.636 10.971 1.00 0.00 N ATOM 373 CA ARG A 22 13.601 26.827 12.303 1.00 0.00 C ATOM 374 C ARG A 22 14.799 27.772 12.257 1.00 0.00 C ATOM 375 O ARG A 22 14.882 28.721 13.036 1.00 0.00 O ATOM 376 CB ARG A 22 14.021 25.483 12.901 1.00 0.00 C ATOM 377 CG ARG A 22 13.714 25.354 14.384 1.00 0.00 C ATOM 378 CD ARG A 22 12.274 24.925 14.620 1.00 0.00 C ATOM 379 NE ARG A 22 11.556 25.865 15.475 1.00 0.00 N ATOM 380 CZ ARG A 22 10.264 25.755 15.765 1.00 0.00 C ATOM 381 NH1 ARG A 22 9.553 24.750 15.273 1.00 0.00 N ATOM 382 NH2 ARG A 22 9.681 26.652 16.551 1.00 0.00 N ATOM 0 H ARG A 22 13.260 25.736 10.545 1.00 0.00 H new ATOM 0 HA ARG A 22 12.832 27.273 12.934 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.515 24.681 12.363 1.00 0.00 H new ATOM 0 HB3 ARG A 22 15.091 25.345 12.747 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.390 24.627 14.835 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.896 26.308 14.879 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.760 24.840 13.663 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.261 23.936 15.078 1.00 0.00 H new ATOM 0 HE ARG A 22 12.074 26.649 15.871 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.998 24.058 14.670 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.561 24.669 15.498 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.225 27.426 16.932 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.689 26.567 16.773 1.00 0.00 H new ATOM 396 N GLN A 23 15.723 27.503 11.341 1.00 0.00 N ATOM 397 CA GLN A 23 16.916 28.328 11.195 1.00 0.00 C ATOM 398 C GLN A 23 16.726 29.372 10.099 1.00 0.00 C ATOM 399 O GLN A 23 17.011 30.553 10.297 1.00 0.00 O ATOM 400 CB GLN A 23 18.131 27.454 10.878 1.00 0.00 C ATOM 401 CG GLN A 23 18.454 26.444 11.967 1.00 0.00 C ATOM 402 CD GLN A 23 19.726 26.783 12.719 1.00 0.00 C ATOM 403 OE1 GLN A 23 19.693 27.461 13.746 1.00 0.00 O ATOM 404 NE2 GLN A 23 20.858 26.311 12.210 1.00 0.00 N ATOM 0 H GLN A 23 15.669 26.721 10.689 1.00 0.00 H new ATOM 0 HA GLN A 23 17.086 28.846 12.139 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.952 26.923 9.943 1.00 0.00 H new ATOM 0 HB3 GLN A 23 18.998 28.095 10.720 1.00 0.00 H new ATOM 0 HG2 GLN A 23 17.623 26.395 12.670 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.553 25.454 11.521 1.00 0.00 H new ATOM 0 HE21 GLN A 23 20.840 25.753 11.356 1.00 0.00 H new ATOM 0 HE22 GLN A 23 21.746 26.506 12.673 1.00 0.00 H new ATOM 413 N ARG A 24 16.244 28.927 8.943 1.00 0.00 N ATOM 414 CA ARG A 24 16.017 29.822 7.815 1.00 0.00 C ATOM 415 C ARG A 24 14.933 30.845 8.141 1.00 0.00 C ATOM 416 O ARG A 24 15.121 32.046 7.953 1.00 0.00 O ATOM 417 CB ARG A 24 15.621 29.022 6.573 1.00 0.00 C ATOM 418 CG ARG A 24 16.518 27.824 6.309 1.00 0.00 C ATOM 419 CD ARG A 24 17.977 28.236 6.184 1.00 0.00 C ATOM 420 NE ARG A 24 18.854 27.088 5.976 1.00 0.00 N ATOM 421 CZ ARG A 24 20.171 27.186 5.828 1.00 0.00 C ATOM 422 NH1 ARG A 24 20.758 28.374 5.864 1.00 0.00 N ATOM 423 NH2 ARG A 24 20.902 26.095 5.642 1.00 0.00 N ATOM 0 H ARG A 24 16.003 27.952 8.763 1.00 0.00 H new ATOM 0 HA ARG A 24 16.946 30.355 7.615 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.593 28.678 6.685 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.643 29.680 5.705 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.411 27.103 7.119 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.200 27.325 5.394 1.00 0.00 H new ATOM 0 HD2 ARG A 24 18.087 28.932 5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 24 18.282 28.767 7.086 1.00 0.00 H new ATOM 0 HE ARG A 24 18.433 26.160 5.942 1.00 0.00 H new ATOM 0 HH11 ARG A 24 20.199 29.215 6.006 1.00 0.00 H new ATOM 0 HH12 ARG A 24 21.769 28.447 5.750 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.453 25.179 5.612 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.913 26.172 5.529 1.00 0.00 H new ATOM 437 N GLY A 25 13.796 30.359 8.632 1.00 0.00 N ATOM 438 CA GLY A 25 12.699 31.243 8.976 1.00 0.00 C ATOM 439 C GLY A 25 12.204 32.043 7.787 1.00 0.00 C ATOM 440 O GLY A 25 11.711 33.161 7.944 1.00 0.00 O ATOM 0 H GLY A 25 13.616 29.369 8.797 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.876 30.655 9.382 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.020 31.927 9.762 1.00 0.00 H new ATOM 444 N ARG A 26 12.337 31.472 6.594 1.00 0.00 N ATOM 445 CA ARG A 26 11.903 32.141 5.374 1.00 0.00 C ATOM 446 C ARG A 26 12.213 31.288 4.147 1.00 0.00 C ATOM 447 O ARG A 26 12.918 30.283 4.239 1.00 0.00 O ATOM 448 CB ARG A 26 12.583 33.505 5.245 1.00 0.00 C ATOM 449 CG ARG A 26 14.099 33.441 5.337 1.00 0.00 C ATOM 450 CD ARG A 26 14.661 34.630 6.101 1.00 0.00 C ATOM 451 NE ARG A 26 14.259 34.618 7.505 1.00 0.00 N ATOM 452 CZ ARG A 26 14.308 35.686 8.293 1.00 0.00 C ATOM 453 NH1 ARG A 26 14.740 36.846 7.816 1.00 0.00 N ATOM 454 NH2 ARG A 26 13.925 35.596 9.560 1.00 0.00 N ATOM 0 H ARG A 26 12.742 30.547 6.447 1.00 0.00 H new ATOM 0 HA ARG A 26 10.824 32.285 5.432 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.304 33.952 4.291 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.207 34.164 6.028 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.396 32.516 5.831 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.525 33.417 4.334 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.749 34.622 6.035 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.321 35.554 5.634 1.00 0.00 H new ATOM 0 HE ARG A 26 13.922 33.741 7.902 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.035 36.919 6.842 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.777 37.665 8.423 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.592 34.706 9.930 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.963 36.417 10.164 1.00 0.00 H new ATOM 468 N ARG A 27 11.680 31.696 3.000 1.00 0.00 N ATOM 469 CA ARG A 27 11.898 30.969 1.755 1.00 0.00 C ATOM 470 C ARG A 27 13.367 30.583 1.601 1.00 0.00 C ATOM 471 O ARG A 27 14.273 31.334 1.962 1.00 0.00 O ATOM 472 CB ARG A 27 11.455 31.816 0.561 1.00 0.00 C ATOM 473 CG ARG A 27 10.488 31.100 -0.368 1.00 0.00 C ATOM 474 CD ARG A 27 11.134 30.782 -1.708 1.00 0.00 C ATOM 475 NE ARG A 27 10.862 31.814 -2.705 1.00 0.00 N ATOM 476 CZ ARG A 27 11.486 31.887 -3.875 1.00 0.00 C ATOM 477 NH1 ARG A 27 12.412 30.994 -4.194 1.00 0.00 N ATOM 478 NH2 ARG A 27 11.183 32.856 -4.730 1.00 0.00 N ATOM 0 H ARG A 27 11.094 32.526 2.907 1.00 0.00 H new ATOM 0 HA ARG A 27 11.302 30.057 1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.985 32.728 0.928 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.335 32.117 -0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.147 30.177 0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.606 31.721 -0.526 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.211 30.680 -1.576 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.765 29.822 -2.070 1.00 0.00 H new ATOM 0 HE ARG A 27 10.154 32.517 -2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.647 30.248 -3.540 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.889 31.053 -5.094 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.471 33.545 -4.488 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.663 32.912 -5.629 1.00 0.00 H new ATOM 492 N PRO A 28 13.608 29.383 1.053 1.00 0.00 N ATOM 493 CA PRO A 28 14.965 28.869 0.839 1.00 0.00 C ATOM 494 C PRO A 28 15.706 29.628 -0.256 1.00 0.00 C ATOM 495 O PRO A 28 15.102 30.378 -1.023 1.00 0.00 O ATOM 496 CB PRO A 28 14.731 27.416 0.419 1.00 0.00 C ATOM 497 CG PRO A 28 13.361 27.406 -0.167 1.00 0.00 C ATOM 498 CD PRO A 28 12.577 28.435 0.599 1.00 0.00 C ATOM 0 HA PRO A 28 15.587 28.975 1.728 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.475 27.090 -0.308 1.00 0.00 H new ATOM 0 HB3 PRO A 28 14.801 26.741 1.272 1.00 0.00 H new ATOM 0 HG2 PRO A 28 13.389 27.648 -1.229 1.00 0.00 H new ATOM 0 HG3 PRO A 28 12.905 26.420 -0.076 1.00 0.00 H new ATOM 0 HD2 PRO A 28 11.832 28.923 -0.030 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.043 27.990 1.439 1.00 0.00 H new ATOM 506 N SER A 29 17.018 29.428 -0.324 1.00 0.00 N ATOM 507 CA SER A 29 17.843 30.097 -1.324 1.00 0.00 C ATOM 508 C SER A 29 18.422 29.089 -2.312 1.00 0.00 C ATOM 509 O SER A 29 18.473 27.892 -2.035 1.00 0.00 O ATOM 510 CB SER A 29 18.974 30.873 -0.647 1.00 0.00 C ATOM 511 OG SER A 29 18.659 32.251 -0.546 1.00 0.00 O ATOM 0 H SER A 29 17.533 28.808 0.301 1.00 0.00 H new ATOM 0 HA SER A 29 17.211 30.796 -1.873 1.00 0.00 H new ATOM 0 HB2 SER A 29 19.155 30.464 0.347 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.896 30.748 -1.215 1.00 0.00 H new ATOM 0 HG SER A 29 19.397 32.724 -0.108 1.00 0.00 H new ATOM 517 N GLN A 30 18.857 29.585 -3.466 1.00 0.00 N ATOM 518 CA GLN A 30 19.432 28.728 -4.497 1.00 0.00 C ATOM 519 C GLN A 30 20.638 27.965 -3.959 1.00 0.00 C ATOM 520 O GLN A 30 21.028 26.934 -4.508 1.00 0.00 O ATOM 521 CB GLN A 30 19.841 29.562 -5.712 1.00 0.00 C ATOM 522 CG GLN A 30 20.720 30.753 -5.366 1.00 0.00 C ATOM 523 CD GLN A 30 19.962 32.065 -5.395 1.00 0.00 C ATOM 524 OE1 GLN A 30 19.326 32.450 -4.413 1.00 0.00 O ATOM 525 NE2 GLN A 30 20.026 32.761 -6.524 1.00 0.00 N ATOM 0 H GLN A 30 18.822 30.575 -3.711 1.00 0.00 H new ATOM 0 HA GLN A 30 18.674 28.006 -4.800 1.00 0.00 H new ATOM 0 HB2 GLN A 30 20.371 28.923 -6.419 1.00 0.00 H new ATOM 0 HB3 GLN A 30 18.943 29.919 -6.216 1.00 0.00 H new ATOM 0 HG2 GLN A 30 21.149 30.607 -4.375 1.00 0.00 H new ATOM 0 HG3 GLN A 30 21.552 30.802 -6.069 1.00 0.00 H new ATOM 0 HE21 GLN A 30 20.565 32.404 -7.313 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.536 33.652 -6.602 1.00 0.00 H new ATOM 534 N ASP A 31 21.225 28.478 -2.883 1.00 0.00 N ATOM 535 CA ASP A 31 22.387 27.844 -2.271 1.00 0.00 C ATOM 536 C ASP A 31 21.993 26.544 -1.576 1.00 0.00 C ATOM 537 O ASP A 31 22.641 25.512 -1.754 1.00 0.00 O ATOM 538 CB ASP A 31 23.044 28.794 -1.269 1.00 0.00 C ATOM 539 CG ASP A 31 24.047 29.723 -1.924 1.00 0.00 C ATOM 540 OD1 ASP A 31 23.842 30.082 -3.102 1.00 0.00 O ATOM 541 OD2 ASP A 31 25.036 30.092 -1.258 1.00 0.00 O ATOM 0 H ASP A 31 20.915 29.331 -2.417 1.00 0.00 H new ATOM 0 HA ASP A 31 23.101 27.611 -3.061 1.00 0.00 H new ATOM 0 HB2 ASP A 31 22.274 29.386 -0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 31 23.544 28.212 -0.495 1.00 0.00 H new ATOM 546 N ASP A 32 20.929 26.602 -0.783 1.00 0.00 N ATOM 547 CA ASP A 32 20.449 25.430 -0.060 1.00 0.00 C ATOM 548 C ASP A 32 19.587 24.551 -0.962 1.00 0.00 C ATOM 549 O ASP A 32 19.570 23.328 -0.822 1.00 0.00 O ATOM 550 CB ASP A 32 19.650 25.856 1.172 1.00 0.00 C ATOM 551 CG ASP A 32 20.197 25.256 2.453 1.00 0.00 C ATOM 552 OD1 ASP A 32 21.278 25.694 2.899 1.00 0.00 O ATOM 553 OD2 ASP A 32 19.544 24.349 3.009 1.00 0.00 O ATOM 0 H ASP A 32 20.382 27.448 -0.624 1.00 0.00 H new ATOM 0 HA ASP A 32 21.315 24.852 0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 32 19.660 26.943 1.250 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.610 25.555 1.049 1.00 0.00 H new ATOM 558 N VAL A 33 18.871 25.183 -1.886 1.00 0.00 N ATOM 559 CA VAL A 33 18.007 24.459 -2.811 1.00 0.00 C ATOM 560 C VAL A 33 18.826 23.645 -3.806 1.00 0.00 C ATOM 561 O VAL A 33 18.555 22.466 -4.030 1.00 0.00 O ATOM 562 CB VAL A 33 17.085 25.419 -3.586 1.00 0.00 C ATOM 563 CG1 VAL A 33 16.243 24.653 -4.595 1.00 0.00 C ATOM 564 CG2 VAL A 33 16.201 26.200 -2.625 1.00 0.00 C ATOM 0 H VAL A 33 18.872 26.195 -2.014 1.00 0.00 H new ATOM 0 HA VAL A 33 17.396 23.785 -2.211 1.00 0.00 H new ATOM 0 HB VAL A 33 17.706 26.130 -4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.598 25.348 -5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.897 24.143 -5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.630 23.918 -4.074 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.556 26.873 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.587 25.507 -2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.826 26.780 -1.946 1.00 0.00 H new ATOM 574 N GLU A 34 19.830 24.283 -4.400 1.00 0.00 N ATOM 575 CA GLU A 34 20.689 23.617 -5.372 1.00 0.00 C ATOM 576 C GLU A 34 21.672 22.678 -4.677 1.00 0.00 C ATOM 577 O GLU A 34 22.359 21.891 -5.326 1.00 0.00 O ATOM 578 CB GLU A 34 21.454 24.649 -6.202 1.00 0.00 C ATOM 579 CG GLU A 34 21.839 24.153 -7.586 1.00 0.00 C ATOM 580 CD GLU A 34 23.263 23.636 -7.645 1.00 0.00 C ATOM 581 OE1 GLU A 34 24.198 24.453 -7.517 1.00 0.00 O ATOM 582 OE2 GLU A 34 23.441 22.412 -7.819 1.00 0.00 O ATOM 0 H GLU A 34 20.068 25.259 -4.225 1.00 0.00 H new ATOM 0 HA GLU A 34 20.055 23.027 -6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 34 20.843 25.546 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.357 24.938 -5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.155 23.359 -7.886 1.00 0.00 H new ATOM 0 HG3 GLU A 34 21.721 24.964 -8.304 1.00 0.00 H new ATOM 589 N ALA A 35 21.732 22.770 -3.352 1.00 0.00 N ATOM 590 CA ALA A 35 22.628 21.929 -2.569 1.00 0.00 C ATOM 591 C ALA A 35 22.111 20.497 -2.492 1.00 0.00 C ATOM 592 O ALA A 35 22.889 19.551 -2.369 1.00 0.00 O ATOM 593 CB ALA A 35 22.804 22.504 -1.171 1.00 0.00 C ATOM 0 H ALA A 35 21.171 23.418 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 35 23.597 21.911 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 35 23.476 21.866 -0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 35 23.227 23.506 -1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 35 21.836 22.552 -0.673 1.00 0.00 H new ATOM 599 N ALA A 36 20.793 20.344 -2.565 1.00 0.00 N ATOM 600 CA ALA A 36 20.172 19.026 -2.505 1.00 0.00 C ATOM 601 C ALA A 36 20.129 18.377 -3.884 1.00 0.00 C ATOM 602 O ALA A 36 20.259 19.040 -4.913 1.00 0.00 O ATOM 603 CB ALA A 36 18.769 19.130 -1.924 1.00 0.00 C ATOM 0 H ALA A 36 20.134 21.116 -2.666 1.00 0.00 H new ATOM 0 HA ALA A 36 20.777 18.395 -1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 36 18.317 18.139 -1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.822 19.545 -0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.162 19.781 -2.553 1.00 0.00 H new ATOM 609 N PRO A 37 19.942 17.049 -3.908 1.00 0.00 N ATOM 610 CA PRO A 37 19.878 16.281 -5.155 1.00 0.00 C ATOM 611 C PRO A 37 18.610 16.571 -5.950 1.00 0.00 C ATOM 612 O PRO A 37 17.822 17.442 -5.582 1.00 0.00 O ATOM 613 CB PRO A 37 19.888 14.827 -4.676 1.00 0.00 C ATOM 614 CG PRO A 37 19.334 14.879 -3.294 1.00 0.00 C ATOM 615 CD PRO A 37 19.780 16.195 -2.719 1.00 0.00 C ATOM 0 HA PRO A 37 20.698 16.528 -5.829 1.00 0.00 H new ATOM 0 HB2 PRO A 37 19.281 14.193 -5.322 1.00 0.00 H new ATOM 0 HB3 PRO A 37 20.897 14.415 -4.683 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.246 14.807 -3.306 1.00 0.00 H new ATOM 0 HG3 PRO A 37 19.702 14.046 -2.694 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.042 16.603 -2.029 1.00 0.00 H new ATOM 0 HD3 PRO A 37 20.714 16.096 -2.165 1.00 0.00 H new ATOM 623 N GLU A 38 18.419 15.836 -7.041 1.00 0.00 N ATOM 624 CA GLU A 38 17.246 16.017 -7.888 1.00 0.00 C ATOM 625 C GLU A 38 15.969 15.670 -7.128 1.00 0.00 C ATOM 626 O GLU A 38 15.089 16.513 -6.955 1.00 0.00 O ATOM 627 CB GLU A 38 17.357 15.150 -9.144 1.00 0.00 C ATOM 628 CG GLU A 38 16.106 15.164 -10.006 1.00 0.00 C ATOM 629 CD GLU A 38 16.412 14.983 -11.480 1.00 0.00 C ATOM 630 OE1 GLU A 38 17.024 15.895 -12.075 1.00 0.00 O ATOM 631 OE2 GLU A 38 16.040 13.930 -12.039 1.00 0.00 O ATOM 0 H GLU A 38 19.061 15.110 -7.359 1.00 0.00 H new ATOM 0 HA GLU A 38 17.200 17.065 -8.183 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.202 15.495 -9.740 1.00 0.00 H new ATOM 0 HB3 GLU A 38 17.573 14.123 -8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.434 14.371 -9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.580 16.108 -9.861 1.00 0.00 H new ATOM 638 N GLU A 39 15.875 14.422 -6.679 1.00 0.00 N ATOM 639 CA GLU A 39 14.705 13.963 -5.939 1.00 0.00 C ATOM 640 C GLU A 39 14.352 14.938 -4.820 1.00 0.00 C ATOM 641 O GLU A 39 13.199 15.347 -4.677 1.00 0.00 O ATOM 642 CB GLU A 39 14.956 12.570 -5.357 1.00 0.00 C ATOM 643 CG GLU A 39 16.268 12.454 -4.600 1.00 0.00 C ATOM 644 CD GLU A 39 16.605 11.022 -4.233 1.00 0.00 C ATOM 645 OE1 GLU A 39 16.692 10.180 -5.151 1.00 0.00 O ATOM 646 OE2 GLU A 39 16.782 10.744 -3.029 1.00 0.00 O ATOM 0 H GLU A 39 16.594 13.712 -6.815 1.00 0.00 H new ATOM 0 HA GLU A 39 13.865 13.913 -6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.136 12.312 -4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.948 11.840 -6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 39 17.072 12.868 -5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.214 13.055 -3.692 1.00 0.00 H new ATOM 653 N THR A 40 15.353 15.307 -4.027 1.00 0.00 N ATOM 654 CA THR A 40 15.149 16.232 -2.919 1.00 0.00 C ATOM 655 C THR A 40 14.667 17.589 -3.418 1.00 0.00 C ATOM 656 O THR A 40 13.740 18.174 -2.857 1.00 0.00 O ATOM 657 CB THR A 40 16.442 16.426 -2.105 1.00 0.00 C ATOM 658 OG1 THR A 40 16.868 15.175 -1.555 1.00 0.00 O ATOM 659 CG2 THR A 40 16.229 17.432 -0.983 1.00 0.00 C ATOM 0 H THR A 40 16.313 14.979 -4.132 1.00 0.00 H new ATOM 0 HA THR A 40 14.386 15.793 -2.276 1.00 0.00 H new ATOM 0 HB THR A 40 17.212 16.809 -2.775 1.00 0.00 H new ATOM 0 HG1 THR A 40 17.594 15.329 -0.915 1.00 0.00 H new ATOM 0 HG21 THR A 40 17.156 17.553 -0.422 1.00 0.00 H new ATOM 0 HG22 THR A 40 15.933 18.392 -1.406 1.00 0.00 H new ATOM 0 HG23 THR A 40 15.445 17.073 -0.316 1.00 0.00 H new ATOM 667 N ARG A 41 15.301 18.086 -4.475 1.00 0.00 N ATOM 668 CA ARG A 41 14.937 19.375 -5.049 1.00 0.00 C ATOM 669 C ARG A 41 13.467 19.391 -5.460 1.00 0.00 C ATOM 670 O ARG A 41 12.780 20.400 -5.305 1.00 0.00 O ATOM 671 CB ARG A 41 15.820 19.687 -6.258 1.00 0.00 C ATOM 672 CG ARG A 41 16.945 20.663 -5.956 1.00 0.00 C ATOM 673 CD ARG A 41 18.076 20.539 -6.965 1.00 0.00 C ATOM 674 NE ARG A 41 18.227 21.749 -7.769 1.00 0.00 N ATOM 675 CZ ARG A 41 17.469 22.030 -8.823 1.00 0.00 C ATOM 676 NH1 ARG A 41 16.512 21.193 -9.198 1.00 0.00 N ATOM 677 NH2 ARG A 41 17.668 23.152 -9.504 1.00 0.00 N ATOM 0 H ARG A 41 16.070 17.615 -4.951 1.00 0.00 H new ATOM 0 HA ARG A 41 15.092 20.140 -4.288 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.248 18.758 -6.634 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.199 20.097 -7.054 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.557 21.682 -5.966 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.329 20.478 -4.953 1.00 0.00 H new ATOM 0 HD2 ARG A 41 19.009 20.334 -6.440 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.885 19.689 -7.621 1.00 0.00 H new ATOM 0 HE ARG A 41 18.954 22.415 -7.507 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.356 20.330 -8.677 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.932 21.412 -10.008 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.403 23.799 -9.218 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.086 23.367 -10.313 1.00 0.00 H new ATOM 691 N ALA A 42 12.993 18.267 -5.986 1.00 0.00 N ATOM 692 CA ALA A 42 11.606 18.151 -6.419 1.00 0.00 C ATOM 693 C ALA A 42 10.655 18.183 -5.227 1.00 0.00 C ATOM 694 O ALA A 42 9.692 18.951 -5.208 1.00 0.00 O ATOM 695 CB ALA A 42 11.408 16.874 -7.221 1.00 0.00 C ATOM 0 H ALA A 42 13.549 17.423 -6.123 1.00 0.00 H new ATOM 0 HA ALA A 42 11.377 19.005 -7.056 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.368 16.801 -7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.054 16.892 -8.099 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.660 16.013 -6.602 1.00 0.00 H new ATOM 701 N LEU A 43 10.930 17.343 -4.235 1.00 0.00 N ATOM 702 CA LEU A 43 10.098 17.274 -3.038 1.00 0.00 C ATOM 703 C LEU A 43 10.112 18.602 -2.288 1.00 0.00 C ATOM 704 O LEU A 43 9.069 19.094 -1.857 1.00 0.00 O ATOM 705 CB LEU A 43 10.583 16.151 -2.120 1.00 0.00 C ATOM 706 CG LEU A 43 10.882 14.813 -2.796 1.00 0.00 C ATOM 707 CD1 LEU A 43 12.108 14.163 -2.176 1.00 0.00 C ATOM 708 CD2 LEU A 43 9.678 13.886 -2.699 1.00 0.00 C ATOM 0 H LEU A 43 11.722 16.700 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 43 9.074 17.064 -3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.487 16.489 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.828 15.986 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 43 11.089 14.999 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.305 13.212 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.969 14.820 -2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.931 13.990 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.908 12.938 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.440 13.707 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.822 14.348 -3.192 1.00 0.00 H new ATOM 720 N TYR A 44 11.300 19.178 -2.137 1.00 0.00 N ATOM 721 CA TYR A 44 11.450 20.449 -1.439 1.00 0.00 C ATOM 722 C TYR A 44 10.655 21.550 -2.135 1.00 0.00 C ATOM 723 O TYR A 44 9.810 22.202 -1.523 1.00 0.00 O ATOM 724 CB TYR A 44 12.926 20.842 -1.362 1.00 0.00 C ATOM 725 CG TYR A 44 13.693 20.106 -0.287 1.00 0.00 C ATOM 726 CD1 TYR A 44 13.163 18.975 0.322 1.00 0.00 C ATOM 727 CD2 TYR A 44 14.947 20.543 0.122 1.00 0.00 C ATOM 728 CE1 TYR A 44 13.859 18.300 1.306 1.00 0.00 C ATOM 729 CE2 TYR A 44 15.651 19.873 1.104 1.00 0.00 C ATOM 730 CZ TYR A 44 15.103 18.752 1.693 1.00 0.00 C ATOM 731 OH TYR A 44 15.801 18.084 2.673 1.00 0.00 O ATOM 0 H TYR A 44 12.173 18.785 -2.489 1.00 0.00 H new ATOM 0 HA TYR A 44 11.060 20.327 -0.428 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.395 20.651 -2.327 1.00 0.00 H new ATOM 0 HB3 TYR A 44 12.999 21.914 -1.179 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.190 18.617 0.021 1.00 0.00 H new ATOM 0 HD2 TYR A 44 15.379 21.421 -0.335 1.00 0.00 H new ATOM 0 HE1 TYR A 44 13.431 17.423 1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 44 16.625 20.225 1.409 1.00 0.00 H new ATOM 0 HH TYR A 44 15.912 18.669 3.452 1.00 0.00 H new ATOM 741 N ARG A 45 10.933 21.750 -3.419 1.00 0.00 N ATOM 742 CA ARG A 45 10.246 22.772 -4.200 1.00 0.00 C ATOM 743 C ARG A 45 8.754 22.466 -4.301 1.00 0.00 C ATOM 744 O ARG A 45 7.938 23.367 -4.492 1.00 0.00 O ATOM 745 CB ARG A 45 10.854 22.870 -5.600 1.00 0.00 C ATOM 746 CG ARG A 45 12.075 23.771 -5.672 1.00 0.00 C ATOM 747 CD ARG A 45 12.642 23.830 -7.081 1.00 0.00 C ATOM 748 NE ARG A 45 13.477 25.011 -7.287 1.00 0.00 N ATOM 749 CZ ARG A 45 14.331 25.140 -8.297 1.00 0.00 C ATOM 750 NH1 ARG A 45 14.461 24.168 -9.188 1.00 0.00 N ATOM 751 NH2 ARG A 45 15.055 26.246 -8.416 1.00 0.00 N ATOM 0 H ARG A 45 11.629 21.218 -3.941 1.00 0.00 H new ATOM 0 HA ARG A 45 10.370 23.728 -3.691 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.130 21.871 -5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.097 23.242 -6.290 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.807 24.775 -5.344 1.00 0.00 H new ATOM 0 HG3 ARG A 45 12.839 23.405 -4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.230 22.933 -7.273 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.824 23.835 -7.801 1.00 0.00 H new ATOM 0 HE ARG A 45 13.400 25.778 -6.619 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.905 23.318 -9.100 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.117 24.270 -9.962 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.956 26.996 -7.732 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.711 26.345 -9.191 1.00 0.00 H new ATOM 765 N GLU A 46 8.407 21.189 -4.174 1.00 0.00 N ATOM 766 CA GLU A 46 7.014 20.766 -4.253 1.00 0.00 C ATOM 767 C GLU A 46 6.217 21.289 -3.062 1.00 0.00 C ATOM 768 O GLU A 46 5.207 21.974 -3.229 1.00 0.00 O ATOM 769 CB GLU A 46 6.924 19.239 -4.310 1.00 0.00 C ATOM 770 CG GLU A 46 5.500 18.711 -4.278 1.00 0.00 C ATOM 771 CD GLU A 46 5.271 17.590 -5.272 1.00 0.00 C ATOM 772 OE1 GLU A 46 5.325 17.858 -6.491 1.00 0.00 O ATOM 773 OE2 GLU A 46 5.036 16.445 -4.832 1.00 0.00 O ATOM 0 H GLU A 46 9.070 20.431 -4.016 1.00 0.00 H new ATOM 0 HA GLU A 46 6.586 21.183 -5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.412 18.889 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.477 18.819 -3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.272 18.353 -3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.809 19.527 -4.491 1.00 0.00 H new ATOM 780 N TYR A 47 6.679 20.962 -1.860 1.00 0.00 N ATOM 781 CA TYR A 47 6.008 21.396 -0.640 1.00 0.00 C ATOM 782 C TYR A 47 6.180 22.897 -0.428 1.00 0.00 C ATOM 783 O TYR A 47 5.350 23.544 0.210 1.00 0.00 O ATOM 784 CB TYR A 47 6.557 20.634 0.567 1.00 0.00 C ATOM 785 CG TYR A 47 6.003 21.113 1.890 1.00 0.00 C ATOM 786 CD1 TYR A 47 4.669 20.909 2.221 1.00 0.00 C ATOM 787 CD2 TYR A 47 6.812 21.771 2.808 1.00 0.00 C ATOM 788 CE1 TYR A 47 4.157 21.346 3.427 1.00 0.00 C ATOM 789 CE2 TYR A 47 6.309 22.210 4.017 1.00 0.00 C ATOM 790 CZ TYR A 47 4.981 21.996 4.322 1.00 0.00 C ATOM 791 OH TYR A 47 4.476 22.433 5.526 1.00 0.00 O ATOM 0 H TYR A 47 7.515 20.398 -1.704 1.00 0.00 H new ATOM 0 HA TYR A 47 4.944 21.181 -0.745 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.331 19.574 0.450 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.643 20.728 0.582 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.021 20.400 1.523 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.852 21.942 2.572 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.117 21.180 3.668 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.952 22.718 4.720 1.00 0.00 H new ATOM 0 HH TYR A 47 5.187 22.869 6.040 1.00 0.00 H new ATOM 801 N ARG A 48 7.263 23.444 -0.970 1.00 0.00 N ATOM 802 CA ARG A 48 7.546 24.869 -0.841 1.00 0.00 C ATOM 803 C ARG A 48 6.594 25.692 -1.705 1.00 0.00 C ATOM 804 O ARG A 48 6.096 26.734 -1.280 1.00 0.00 O ATOM 805 CB ARG A 48 8.994 25.161 -1.238 1.00 0.00 C ATOM 806 CG ARG A 48 9.960 25.155 -0.064 1.00 0.00 C ATOM 807 CD ARG A 48 9.631 26.254 0.934 1.00 0.00 C ATOM 808 NE ARG A 48 8.853 25.752 2.064 1.00 0.00 N ATOM 809 CZ ARG A 48 9.339 24.919 2.978 1.00 0.00 C ATOM 810 NH1 ARG A 48 10.593 24.496 2.895 1.00 0.00 N ATOM 811 NH2 ARG A 48 8.569 24.507 3.977 1.00 0.00 N ATOM 0 H ARG A 48 7.959 22.922 -1.503 1.00 0.00 H new ATOM 0 HA ARG A 48 7.399 25.151 0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.318 24.420 -1.968 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.038 26.133 -1.729 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.923 24.186 0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.979 25.286 -0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.556 26.700 1.300 1.00 0.00 H new ATOM 0 HD3 ARG A 48 9.073 27.044 0.432 1.00 0.00 H new ATOM 0 HE ARG A 48 7.884 26.058 2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 48 11.187 24.810 2.128 1.00 0.00 H new ATOM 0 HH12 ARG A 48 10.963 23.857 3.598 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.604 24.830 4.043 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.942 23.868 4.678 1.00 0.00 H new ATOM 825 N THR A 49 6.347 25.216 -2.922 1.00 0.00 N ATOM 826 CA THR A 49 5.457 25.908 -3.846 1.00 0.00 C ATOM 827 C THR A 49 3.997 25.717 -3.451 1.00 0.00 C ATOM 828 O THR A 49 3.190 26.641 -3.555 1.00 0.00 O ATOM 829 CB THR A 49 5.655 25.414 -5.292 1.00 0.00 C ATOM 830 OG1 THR A 49 6.988 25.698 -5.729 1.00 0.00 O ATOM 831 CG2 THR A 49 4.656 26.074 -6.230 1.00 0.00 C ATOM 0 H THR A 49 6.751 24.355 -3.290 1.00 0.00 H new ATOM 0 HA THR A 49 5.709 26.967 -3.794 1.00 0.00 H new ATOM 0 HB THR A 49 5.490 24.337 -5.311 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.590 24.985 -5.429 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.815 25.710 -7.245 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.642 25.831 -5.912 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.794 27.155 -6.206 1.00 0.00 H new ATOM 839 N LEU A 50 3.665 24.515 -2.996 1.00 0.00 N ATOM 840 CA LEU A 50 2.301 24.203 -2.583 1.00 0.00 C ATOM 841 C LEU A 50 1.941 24.933 -1.294 1.00 0.00 C ATOM 842 O LEU A 50 0.823 25.422 -1.135 1.00 0.00 O ATOM 843 CB LEU A 50 2.137 22.694 -2.391 1.00 0.00 C ATOM 844 CG LEU A 50 1.516 21.932 -3.562 1.00 0.00 C ATOM 845 CD1 LEU A 50 0.047 22.295 -3.716 1.00 0.00 C ATOM 846 CD2 LEU A 50 2.277 22.218 -4.848 1.00 0.00 C ATOM 0 H LEU A 50 4.321 23.740 -2.903 1.00 0.00 H new ATOM 0 HA LEU A 50 1.625 24.539 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.118 22.266 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.522 22.525 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 50 1.585 20.864 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.378 21.743 -4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.489 22.037 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.046 23.365 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.821 21.667 -5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.241 23.286 -5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.315 21.906 -4.734 1.00 0.00 H new ATOM 858 N LYS A 51 2.898 25.006 -0.375 1.00 0.00 N ATOM 859 CA LYS A 51 2.686 25.680 0.901 1.00 0.00 C ATOM 860 C LYS A 51 2.672 27.195 0.720 1.00 0.00 C ATOM 861 O LYS A 51 1.814 27.887 1.268 1.00 0.00 O ATOM 862 CB LYS A 51 3.777 25.284 1.898 1.00 0.00 C ATOM 863 CG LYS A 51 3.605 25.915 3.269 1.00 0.00 C ATOM 864 CD LYS A 51 4.374 27.220 3.383 1.00 0.00 C ATOM 865 CE LYS A 51 5.514 27.110 4.383 1.00 0.00 C ATOM 866 NZ LYS A 51 6.159 28.429 4.638 1.00 0.00 N ATOM 0 H LYS A 51 3.829 24.606 -0.490 1.00 0.00 H new ATOM 0 HA LYS A 51 1.717 25.370 1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.784 24.199 2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.748 25.571 1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.547 26.098 3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.949 25.221 4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.771 27.496 2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.696 28.017 3.689 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.136 26.703 5.321 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.259 26.408 4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.931 28.311 5.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.542 28.806 3.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.454 29.092 5.020 1.00 0.00 H new ATOM 880 N ARG A 52 3.627 27.703 -0.052 1.00 0.00 N ATOM 881 CA ARG A 52 3.724 29.135 -0.305 1.00 0.00 C ATOM 882 C ARG A 52 2.526 29.628 -1.110 1.00 0.00 C ATOM 883 O ARG A 52 2.025 30.731 -0.888 1.00 0.00 O ATOM 884 CB ARG A 52 5.021 29.456 -1.051 1.00 0.00 C ATOM 885 CG ARG A 52 6.259 29.407 -0.170 1.00 0.00 C ATOM 886 CD ARG A 52 6.785 30.801 0.131 1.00 0.00 C ATOM 887 NE ARG A 52 5.774 31.642 0.767 1.00 0.00 N ATOM 888 CZ ARG A 52 6.012 32.874 1.202 1.00 0.00 C ATOM 889 NH1 ARG A 52 7.219 33.406 1.071 1.00 0.00 N ATOM 890 NH2 ARG A 52 5.040 33.577 1.771 1.00 0.00 N ATOM 0 H ARG A 52 4.345 27.144 -0.513 1.00 0.00 H new ATOM 0 HA ARG A 52 3.729 29.649 0.656 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.142 28.750 -1.872 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.939 30.449 -1.493 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.022 28.897 0.764 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.035 28.823 -0.664 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.656 30.727 0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.117 31.271 -0.795 1.00 0.00 H new ATOM 0 HE ARG A 52 4.834 31.262 0.883 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.968 32.869 0.635 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.398 34.353 1.406 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.110 33.171 1.874 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.223 34.523 2.105 1.00 0.00 H new ATOM 904 N THR A 53 2.070 28.803 -2.048 1.00 0.00 N ATOM 905 CA THR A 53 0.932 29.154 -2.888 1.00 0.00 C ATOM 906 C THR A 53 -0.384 28.939 -2.149 1.00 0.00 C ATOM 907 O THR A 53 -1.136 29.884 -1.910 1.00 0.00 O ATOM 908 CB THR A 53 0.918 28.330 -4.189 1.00 0.00 C ATOM 909 OG1 THR A 53 2.117 28.570 -4.934 1.00 0.00 O ATOM 910 CG2 THR A 53 -0.293 28.681 -5.039 1.00 0.00 C ATOM 0 H THR A 53 2.472 27.886 -2.245 1.00 0.00 H new ATOM 0 HA THR A 53 1.037 30.210 -3.137 1.00 0.00 H new ATOM 0 HB THR A 53 0.861 27.274 -3.924 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.869 28.116 -4.499 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.281 28.086 -5.952 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.204 28.469 -4.480 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.263 29.740 -5.295 1.00 0.00 H new ATOM 918 N THR A 54 -0.657 27.689 -1.789 1.00 0.00 N ATOM 919 CA THR A 54 -1.883 27.349 -1.077 1.00 0.00 C ATOM 920 C THR A 54 -1.914 27.994 0.304 1.00 0.00 C ATOM 921 O THR A 54 -2.815 28.770 0.618 1.00 0.00 O ATOM 922 CB THR A 54 -2.039 25.824 -0.923 1.00 0.00 C ATOM 923 OG1 THR A 54 -1.606 25.165 -2.118 1.00 0.00 O ATOM 924 CG2 THR A 54 -3.486 25.456 -0.630 1.00 0.00 C ATOM 0 H THR A 54 -0.046 26.895 -1.979 1.00 0.00 H new ATOM 0 HA THR A 54 -2.711 27.733 -1.673 1.00 0.00 H new ATOM 0 HB THR A 54 -1.421 25.499 -0.086 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.658 24.930 -2.037 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.572 24.374 -0.525 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.803 25.937 0.295 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.120 25.793 -1.450 1.00 0.00 H new ATOM 932 N GLY A 55 -0.921 27.667 1.127 1.00 0.00 N ATOM 933 CA GLY A 55 -0.854 28.224 2.465 1.00 0.00 C ATOM 934 C GLY A 55 -0.082 29.528 2.512 1.00 0.00 C ATOM 935 O GLY A 55 0.766 29.723 3.381 1.00 0.00 O ATOM 0 H GLY A 55 -0.163 27.027 0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.865 28.390 2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.383 27.502 3.133 1.00 0.00 H new ATOM 939 N GLN A 56 -0.377 30.422 1.574 1.00 0.00 N ATOM 940 CA GLN A 56 0.298 31.714 1.511 1.00 0.00 C ATOM 941 C GLN A 56 -0.029 32.559 2.738 1.00 0.00 C ATOM 942 O GLN A 56 -1.155 32.537 3.238 1.00 0.00 O ATOM 943 CB GLN A 56 -0.106 32.462 0.239 1.00 0.00 C ATOM 944 CG GLN A 56 -1.541 32.963 0.257 1.00 0.00 C ATOM 945 CD GLN A 56 -1.634 34.460 0.474 1.00 0.00 C ATOM 946 OE1 GLN A 56 -0.805 35.224 -0.021 1.00 0.00 O ATOM 947 NE2 GLN A 56 -2.648 34.889 1.218 1.00 0.00 N ATOM 0 H GLN A 56 -1.078 30.276 0.848 1.00 0.00 H new ATOM 0 HA GLN A 56 1.373 31.534 1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.564 33.310 0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.029 31.803 -0.618 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.023 32.706 -0.686 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.091 32.451 1.046 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.312 34.221 1.609 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.762 35.886 1.398 1.00 0.00 H new TER 956 GLN A 56