USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 759 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 Set 1.1: A 50 TYR OH : rot 64:sc= 0.788 USER MOD Set 1.2: A 59 THR OG1 : rot 103:sc= 1.23 USER MOD Set 1.3: A 62 GLN : amide:sc= 0.48 K(o=2.5,f=-0.61) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0.24 X(o=0.24,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.13) USER MOD Single : A 38 SER OG : rot 76:sc= 1.23 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= -0.0198 (180deg=-0.168) USER MOD Single : A 54 ASN : amide:sc= 0.215 K(o=0.22,f=-3.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 63:sc= 1.11 USER MOD Single : A 65 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.52) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.539 X(o=-0.54,f=-0.29) USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 96 SER OG : rot 124:sc= 0.923 USER MOD Single : A 98 TYR OH : rot -145:sc= -2.84! USER MOD Single : A 99 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.53) USER MOD Single : A 102 SER OG : rot 38:sc= 0.126 USER MOD Single : A 105 GLN : amide:sc= -0.709 K(o=-0.71,f=0) USER MOD Single : A 106 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.6!) USER MOD Single : A 108 GLN : amide:sc= -2.14! K(o=-2.1!,f=-0.93) USER MOD Single : A 113 SER OG : rot -72:sc= -0.689 USER MOD Single : A 122 SER OG : rot 40:sc= -3.18! USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 ASN : amide:sc= -0.173 K(o=-0.17,f=-5.3!) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N GLU A 29 19.659 -5.233 -4.949 1.00 0.00 N ATOM 64 CA GLU A 29 18.753 -4.209 -4.442 1.00 0.00 C ATOM 65 C GLU A 29 17.712 -3.835 -5.491 1.00 0.00 C ATOM 66 O GLU A 29 16.527 -3.715 -5.185 1.00 0.00 O ATOM 67 CB GLU A 29 19.556 -2.969 -4.043 1.00 0.00 C ATOM 68 CG GLU A 29 18.754 -1.928 -3.284 1.00 0.00 C ATOM 69 CD GLU A 29 18.368 -2.392 -1.898 1.00 0.00 C ATOM 70 OE1 GLU A 29 17.291 -3.004 -1.746 1.00 0.00 O ATOM 71 OE2 GLU A 29 19.136 -2.143 -0.949 1.00 0.00 O ATOM 0 HA GLU A 29 18.232 -4.606 -3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 29 20.401 -3.279 -3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 29 19.967 -2.511 -4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 29 19.337 -1.010 -3.207 1.00 0.00 H new ATOM 0 HG3 GLU A 29 17.852 -1.687 -3.847 1.00 0.00 H new ATOM 78 N LYS A 30 18.165 -3.682 -6.731 1.00 0.00 N ATOM 79 CA LYS A 30 17.286 -3.307 -7.833 1.00 0.00 C ATOM 80 C LYS A 30 16.196 -4.349 -8.036 1.00 0.00 C ATOM 81 O LYS A 30 15.038 -4.014 -8.273 1.00 0.00 O ATOM 82 CB LYS A 30 18.082 -3.160 -9.128 1.00 0.00 C ATOM 83 CG LYS A 30 19.194 -2.130 -9.060 1.00 0.00 C ATOM 84 CD LYS A 30 20.036 -2.164 -10.321 1.00 0.00 C ATOM 85 CE LYS A 30 21.212 -1.211 -10.242 1.00 0.00 C ATOM 86 NZ LYS A 30 22.042 -1.270 -11.471 1.00 0.00 N ATOM 0 H LYS A 30 19.141 -3.813 -6.999 1.00 0.00 H new ATOM 0 HA LYS A 30 16.826 -2.352 -7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.513 -4.127 -9.388 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.399 -2.888 -9.933 1.00 0.00 H new ATOM 0 HG2 LYS A 30 18.767 -1.136 -8.929 1.00 0.00 H new ATOM 0 HG3 LYS A 30 19.823 -2.324 -8.191 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.401 -3.178 -10.487 1.00 0.00 H new ATOM 0 HD3 LYS A 30 19.416 -1.904 -11.179 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.848 -0.194 -10.095 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.825 -1.458 -9.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.838 -0.606 -11.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 22.408 -2.235 -11.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.462 -1.010 -12.294 1.00 0.00 H new ATOM 100 N ALA A 31 16.576 -5.612 -7.932 1.00 0.00 N ATOM 101 CA ALA A 31 15.651 -6.711 -8.152 1.00 0.00 C ATOM 102 C ALA A 31 14.596 -6.766 -7.058 1.00 0.00 C ATOM 103 O ALA A 31 13.414 -6.983 -7.334 1.00 0.00 O ATOM 104 CB ALA A 31 16.409 -8.027 -8.229 1.00 0.00 C ATOM 0 H ALA A 31 17.525 -5.902 -7.695 1.00 0.00 H new ATOM 0 HA ALA A 31 15.141 -6.543 -9.100 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.705 -8.843 -8.394 1.00 0.00 H new ATOM 0 HB2 ALA A 31 17.121 -7.989 -9.054 1.00 0.00 H new ATOM 0 HB3 ALA A 31 16.945 -8.193 -7.295 1.00 0.00 H new ATOM 110 N ASP A 32 15.022 -6.564 -5.816 1.00 0.00 N ATOM 111 CA ASP A 32 14.104 -6.613 -4.683 1.00 0.00 C ATOM 112 C ASP A 32 13.141 -5.438 -4.705 1.00 0.00 C ATOM 113 O ASP A 32 11.930 -5.618 -4.582 1.00 0.00 O ATOM 114 CB ASP A 32 14.863 -6.614 -3.353 1.00 0.00 C ATOM 115 CG ASP A 32 15.641 -7.889 -3.111 1.00 0.00 C ATOM 116 OD1 ASP A 32 16.834 -7.801 -2.754 1.00 0.00 O ATOM 117 OD2 ASP A 32 15.065 -8.987 -3.270 1.00 0.00 O ATOM 0 H ASP A 32 15.991 -6.366 -5.568 1.00 0.00 H new ATOM 0 HA ASP A 32 13.539 -7.541 -4.772 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.550 -5.768 -3.334 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.154 -6.468 -2.538 1.00 0.00 H new ATOM 122 N ARG A 33 13.676 -4.238 -4.897 1.00 0.00 N ATOM 123 CA ARG A 33 12.868 -3.028 -4.814 1.00 0.00 C ATOM 124 C ARG A 33 11.846 -2.951 -5.938 1.00 0.00 C ATOM 125 O ARG A 33 10.754 -2.442 -5.733 1.00 0.00 O ATOM 126 CB ARG A 33 13.728 -1.764 -4.786 1.00 0.00 C ATOM 127 CG ARG A 33 14.596 -1.564 -6.015 1.00 0.00 C ATOM 128 CD ARG A 33 15.382 -0.268 -5.927 1.00 0.00 C ATOM 129 NE ARG A 33 14.506 0.903 -5.964 1.00 0.00 N ATOM 130 CZ ARG A 33 14.345 1.755 -4.950 1.00 0.00 C ATOM 131 NH1 ARG A 33 14.945 1.540 -3.784 1.00 0.00 N ATOM 132 NH2 ARG A 33 13.564 2.815 -5.099 1.00 0.00 N ATOM 0 H ARG A 33 14.660 -4.077 -5.110 1.00 0.00 H new ATOM 0 HA ARG A 33 12.327 -3.085 -3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.075 -0.898 -4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.370 -1.796 -3.905 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.284 -2.403 -6.118 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.970 -1.553 -6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 33 15.964 -0.258 -5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.092 -0.217 -6.752 1.00 0.00 H new ATOM 0 HE ARG A 33 13.984 1.080 -6.822 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.535 0.718 -3.658 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.816 2.197 -3.015 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.088 2.977 -5.987 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.438 3.469 -4.326 1.00 0.00 H new ATOM 146 N GLN A 34 12.198 -3.433 -7.125 1.00 0.00 N ATOM 147 CA GLN A 34 11.265 -3.406 -8.247 1.00 0.00 C ATOM 148 C GLN A 34 10.008 -4.215 -7.936 1.00 0.00 C ATOM 149 O GLN A 34 8.902 -3.816 -8.304 1.00 0.00 O ATOM 150 CB GLN A 34 11.928 -3.903 -9.529 1.00 0.00 C ATOM 151 CG GLN A 34 12.889 -2.893 -10.130 1.00 0.00 C ATOM 152 CD GLN A 34 13.528 -3.380 -11.410 1.00 0.00 C ATOM 153 OE1 GLN A 34 13.005 -3.160 -12.503 1.00 0.00 O ATOM 154 NE2 GLN A 34 14.666 -4.036 -11.288 1.00 0.00 N ATOM 0 H GLN A 34 13.109 -3.842 -7.334 1.00 0.00 H new ATOM 0 HA GLN A 34 10.968 -2.369 -8.404 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.466 -4.827 -9.318 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.157 -4.143 -10.261 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.355 -1.963 -10.327 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.669 -2.665 -9.404 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.065 -4.197 -10.363 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.147 -4.382 -12.118 1.00 0.00 H new ATOM 163 N LYS A 35 10.171 -5.338 -7.244 1.00 0.00 N ATOM 164 CA LYS A 35 9.020 -6.098 -6.770 1.00 0.00 C ATOM 165 C LYS A 35 8.236 -5.273 -5.759 1.00 0.00 C ATOM 166 O LYS A 35 7.007 -5.232 -5.797 1.00 0.00 O ATOM 167 CB LYS A 35 9.441 -7.430 -6.137 1.00 0.00 C ATOM 168 CG LYS A 35 8.383 -7.995 -5.199 1.00 0.00 C ATOM 169 CD LYS A 35 8.649 -9.437 -4.809 1.00 0.00 C ATOM 170 CE LYS A 35 7.928 -9.794 -3.515 1.00 0.00 C ATOM 171 NZ LYS A 35 6.494 -9.392 -3.534 1.00 0.00 N ATOM 0 H LYS A 35 11.077 -5.738 -7.001 1.00 0.00 H new ATOM 0 HA LYS A 35 8.391 -6.321 -7.632 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.645 -8.154 -6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.371 -7.288 -5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.339 -7.383 -4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.406 -7.928 -5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.319 -10.101 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.721 -9.593 -4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.999 -10.869 -3.347 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.428 -9.307 -2.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.011 -9.788 -2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.424 -8.355 -3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.044 -9.752 -4.400 1.00 0.00 H new ATOM 185 N VAL A 36 8.966 -4.597 -4.879 1.00 0.00 N ATOM 186 CA VAL A 36 8.362 -3.775 -3.841 1.00 0.00 C ATOM 187 C VAL A 36 7.530 -2.660 -4.461 1.00 0.00 C ATOM 188 O VAL A 36 6.408 -2.402 -4.037 1.00 0.00 O ATOM 189 CB VAL A 36 9.439 -3.171 -2.913 1.00 0.00 C ATOM 190 CG1 VAL A 36 8.813 -2.338 -1.811 1.00 0.00 C ATOM 191 CG2 VAL A 36 10.304 -4.263 -2.315 1.00 0.00 C ATOM 0 H VAL A 36 9.986 -4.604 -4.866 1.00 0.00 H new ATOM 0 HA VAL A 36 7.712 -4.416 -3.245 1.00 0.00 H new ATOM 0 HB VAL A 36 10.067 -2.517 -3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.597 -1.927 -1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.239 -1.523 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.152 -2.964 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.056 -3.816 -1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.681 -4.944 -1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.798 -4.815 -3.115 1.00 0.00 H new ATOM 201 N VAL A 37 8.081 -2.023 -5.483 1.00 0.00 N ATOM 202 CA VAL A 37 7.368 -1.000 -6.229 1.00 0.00 C ATOM 203 C VAL A 37 6.140 -1.595 -6.915 1.00 0.00 C ATOM 204 O VAL A 37 5.082 -0.976 -6.952 1.00 0.00 O ATOM 205 CB VAL A 37 8.281 -0.325 -7.280 1.00 0.00 C ATOM 206 CG1 VAL A 37 7.487 0.614 -8.174 1.00 0.00 C ATOM 207 CG2 VAL A 37 9.418 0.419 -6.596 1.00 0.00 C ATOM 0 H VAL A 37 9.029 -2.200 -5.816 1.00 0.00 H new ATOM 0 HA VAL A 37 7.048 -0.239 -5.517 1.00 0.00 H new ATOM 0 HB VAL A 37 8.706 -1.106 -7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.155 1.074 -8.903 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.713 0.052 -8.696 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.024 1.391 -7.566 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.051 0.888 -7.349 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.008 1.185 -5.938 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.011 -0.283 -6.010 1.00 0.00 H new ATOM 217 N SER A 38 6.282 -2.809 -7.434 1.00 0.00 N ATOM 218 CA SER A 38 5.172 -3.492 -8.088 1.00 0.00 C ATOM 219 C SER A 38 4.026 -3.738 -7.103 1.00 0.00 C ATOM 220 O SER A 38 2.862 -3.472 -7.413 1.00 0.00 O ATOM 221 CB SER A 38 5.650 -4.811 -8.695 1.00 0.00 C ATOM 222 OG SER A 38 6.698 -4.590 -9.629 1.00 0.00 O ATOM 0 H SER A 38 7.153 -3.340 -7.415 1.00 0.00 H new ATOM 0 HA SER A 38 4.797 -2.853 -8.888 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.997 -5.475 -7.904 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.817 -5.311 -9.189 1.00 0.00 H new ATOM 0 HG SER A 38 7.530 -4.399 -9.148 1.00 0.00 H new ATOM 228 N ASP A 39 4.359 -4.227 -5.909 1.00 0.00 N ATOM 229 CA ASP A 39 3.355 -4.443 -4.868 1.00 0.00 C ATOM 230 C ASP A 39 2.797 -3.104 -4.406 1.00 0.00 C ATOM 231 O ASP A 39 1.611 -2.975 -4.106 1.00 0.00 O ATOM 232 CB ASP A 39 3.946 -5.189 -3.666 1.00 0.00 C ATOM 233 CG ASP A 39 4.491 -6.564 -4.008 1.00 0.00 C ATOM 234 OD1 ASP A 39 5.677 -6.828 -3.713 1.00 0.00 O ATOM 235 OD2 ASP A 39 3.740 -7.387 -4.573 1.00 0.00 O ATOM 0 H ASP A 39 5.310 -4.480 -5.640 1.00 0.00 H new ATOM 0 HA ASP A 39 2.558 -5.054 -5.292 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.746 -4.588 -3.234 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.177 -5.293 -2.900 1.00 0.00 H new ATOM 240 N LEU A 40 3.674 -2.112 -4.364 1.00 0.00 N ATOM 241 CA LEU A 40 3.318 -0.758 -3.967 1.00 0.00 C ATOM 242 C LEU A 40 2.276 -0.166 -4.915 1.00 0.00 C ATOM 243 O LEU A 40 1.321 0.476 -4.479 1.00 0.00 O ATOM 244 CB LEU A 40 4.573 0.111 -3.965 1.00 0.00 C ATOM 245 CG LEU A 40 4.425 1.488 -3.327 1.00 0.00 C ATOM 246 CD1 LEU A 40 4.252 1.361 -1.822 1.00 0.00 C ATOM 247 CD2 LEU A 40 5.632 2.345 -3.662 1.00 0.00 C ATOM 0 H LEU A 40 4.658 -2.225 -4.606 1.00 0.00 H new ATOM 0 HA LEU A 40 2.886 -0.787 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.364 -0.427 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.903 0.242 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 40 3.534 1.971 -3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.148 2.353 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.360 0.773 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.124 0.865 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.519 3.327 -3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.534 1.867 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.710 2.457 -4.743 1.00 0.00 H new ATOM 259 N VAL A 41 2.468 -0.388 -6.212 1.00 0.00 N ATOM 260 CA VAL A 41 1.517 0.067 -7.222 1.00 0.00 C ATOM 261 C VAL A 41 0.166 -0.612 -7.019 1.00 0.00 C ATOM 262 O VAL A 41 -0.888 0.007 -7.185 1.00 0.00 O ATOM 263 CB VAL A 41 2.032 -0.201 -8.657 1.00 0.00 C ATOM 264 CG1 VAL A 41 0.981 0.163 -9.693 1.00 0.00 C ATOM 265 CG2 VAL A 41 3.315 0.573 -8.918 1.00 0.00 C ATOM 0 H VAL A 41 3.277 -0.882 -6.590 1.00 0.00 H new ATOM 0 HA VAL A 41 1.403 1.145 -7.104 1.00 0.00 H new ATOM 0 HB VAL A 41 2.241 -1.267 -8.742 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.370 -0.036 -10.692 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.085 -0.435 -9.527 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.733 1.221 -9.604 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.662 0.372 -9.932 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.125 1.640 -8.805 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.079 0.262 -8.205 1.00 0.00 H new ATOM 275 N ALA A 42 0.206 -1.887 -6.647 1.00 0.00 N ATOM 276 CA ALA A 42 -1.007 -2.629 -6.334 1.00 0.00 C ATOM 277 C ALA A 42 -1.712 -2.021 -5.124 1.00 0.00 C ATOM 278 O ALA A 42 -2.938 -1.904 -5.103 1.00 0.00 O ATOM 279 CB ALA A 42 -0.687 -4.096 -6.087 1.00 0.00 C ATOM 0 H ALA A 42 1.066 -2.427 -6.555 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.679 -2.564 -7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.606 -4.635 -5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.231 -4.524 -6.980 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.005 -4.181 -5.250 1.00 0.00 H new ATOM 285 N LEU A 43 -0.926 -1.628 -4.124 1.00 0.00 N ATOM 286 CA LEU A 43 -1.460 -0.978 -2.930 1.00 0.00 C ATOM 287 C LEU A 43 -2.084 0.369 -3.287 1.00 0.00 C ATOM 288 O LEU A 43 -3.203 0.674 -2.877 1.00 0.00 O ATOM 289 CB LEU A 43 -0.352 -0.771 -1.891 1.00 0.00 C ATOM 290 CG LEU A 43 0.317 -2.042 -1.368 1.00 0.00 C ATOM 291 CD1 LEU A 43 1.427 -1.681 -0.397 1.00 0.00 C ATOM 292 CD2 LEU A 43 -0.701 -2.949 -0.693 1.00 0.00 C ATOM 0 H LEU A 43 0.087 -1.749 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.229 -1.625 -2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.416 -0.133 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.772 -0.229 -1.043 1.00 0.00 H new ATOM 0 HG LEU A 43 0.745 -2.581 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.899 -2.592 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.170 -1.068 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.010 -1.124 0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.203 -3.847 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.158 -2.423 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.472 -3.228 -1.411 1.00 0.00 H new ATOM 304 N GLU A 44 -1.350 1.164 -4.060 1.00 0.00 N ATOM 305 CA GLU A 44 -1.830 2.465 -4.515 1.00 0.00 C ATOM 306 C GLU A 44 -3.123 2.331 -5.305 1.00 0.00 C ATOM 307 O GLU A 44 -4.068 3.092 -5.099 1.00 0.00 O ATOM 308 CB GLU A 44 -0.767 3.150 -5.374 1.00 0.00 C ATOM 309 CG GLU A 44 0.126 4.100 -4.599 1.00 0.00 C ATOM 310 CD GLU A 44 -0.612 5.350 -4.160 1.00 0.00 C ATOM 311 OE1 GLU A 44 -1.272 5.327 -3.099 1.00 0.00 O ATOM 312 OE2 GLU A 44 -0.543 6.366 -4.887 1.00 0.00 O ATOM 0 H GLU A 44 -0.413 0.927 -4.387 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.030 3.074 -3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.148 2.387 -5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.260 3.701 -6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.524 3.588 -3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.978 4.382 -5.218 1.00 0.00 H new ATOM 319 N GLY A 45 -3.159 1.360 -6.207 1.00 0.00 N ATOM 320 CA GLY A 45 -4.355 1.121 -6.985 1.00 0.00 C ATOM 321 C GLY A 45 -5.520 0.706 -6.116 1.00 0.00 C ATOM 322 O GLY A 45 -6.645 1.156 -6.328 1.00 0.00 O ATOM 0 H GLY A 45 -2.380 0.734 -6.413 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.617 2.025 -7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.158 0.344 -7.724 1.00 0.00 H new ATOM 326 N ALA A 46 -5.251 -0.143 -5.131 1.00 0.00 N ATOM 327 CA ALA A 46 -6.272 -0.563 -4.183 1.00 0.00 C ATOM 328 C ALA A 46 -6.815 0.631 -3.409 1.00 0.00 C ATOM 329 O ALA A 46 -8.016 0.750 -3.197 1.00 0.00 O ATOM 330 CB ALA A 46 -5.708 -1.595 -3.226 1.00 0.00 C ATOM 0 H ALA A 46 -4.332 -0.554 -4.969 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.093 -1.012 -4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.482 -1.900 -2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.366 -2.464 -3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.870 -1.164 -2.678 1.00 0.00 H new ATOM 336 N LEU A 47 -5.913 1.513 -2.997 1.00 0.00 N ATOM 337 CA LEU A 47 -6.284 2.727 -2.279 1.00 0.00 C ATOM 338 C LEU A 47 -7.123 3.649 -3.157 1.00 0.00 C ATOM 339 O LEU A 47 -8.148 4.173 -2.715 1.00 0.00 O ATOM 340 CB LEU A 47 -5.027 3.453 -1.792 1.00 0.00 C ATOM 341 CG LEU A 47 -4.584 3.132 -0.358 1.00 0.00 C ATOM 342 CD1 LEU A 47 -4.587 1.634 -0.094 1.00 0.00 C ATOM 343 CD2 LEU A 47 -3.205 3.711 -0.096 1.00 0.00 C ATOM 0 H LEU A 47 -4.910 1.409 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.888 2.444 -1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.207 3.213 -2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.198 4.527 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.300 3.589 0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.268 1.445 0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.593 1.241 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.902 1.142 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.900 3.478 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.490 3.279 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.234 4.793 -0.228 1.00 0.00 H new ATOM 355 N ASP A 48 -6.691 3.835 -4.400 1.00 0.00 N ATOM 356 CA ASP A 48 -7.430 4.659 -5.354 1.00 0.00 C ATOM 357 C ASP A 48 -8.815 4.081 -5.609 1.00 0.00 C ATOM 358 O ASP A 48 -9.808 4.809 -5.643 1.00 0.00 O ATOM 359 CB ASP A 48 -6.671 4.789 -6.681 1.00 0.00 C ATOM 360 CG ASP A 48 -5.692 5.948 -6.685 1.00 0.00 C ATOM 361 OD1 ASP A 48 -6.138 7.112 -6.597 1.00 0.00 O ATOM 362 OD2 ASP A 48 -4.471 5.706 -6.796 1.00 0.00 O ATOM 0 H ASP A 48 -5.833 3.427 -4.772 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.535 5.651 -4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.132 3.863 -6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.387 4.920 -7.493 1.00 0.00 H new ATOM 367 N MET A 49 -8.880 2.767 -5.781 1.00 0.00 N ATOM 368 CA MET A 49 -10.149 2.092 -6.023 1.00 0.00 C ATOM 369 C MET A 49 -11.053 2.163 -4.799 1.00 0.00 C ATOM 370 O MET A 49 -12.247 2.445 -4.915 1.00 0.00 O ATOM 371 CB MET A 49 -9.922 0.631 -6.426 1.00 0.00 C ATOM 372 CG MET A 49 -9.305 0.472 -7.806 1.00 0.00 C ATOM 373 SD MET A 49 -10.283 1.270 -9.095 1.00 0.00 S ATOM 374 CE MET A 49 -9.310 0.864 -10.542 1.00 0.00 C ATOM 0 H MET A 49 -8.070 2.148 -5.758 1.00 0.00 H new ATOM 0 HA MET A 49 -10.644 2.608 -6.845 1.00 0.00 H new ATOM 0 HB2 MET A 49 -9.274 0.156 -5.690 1.00 0.00 H new ATOM 0 HB3 MET A 49 -10.875 0.103 -6.400 1.00 0.00 H new ATOM 0 HG2 MET A 49 -8.300 0.895 -7.802 1.00 0.00 H new ATOM 0 HG3 MET A 49 -9.204 -0.589 -8.035 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.782 1.287 -11.429 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.307 1.277 -10.433 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.247 -0.219 -10.646 1.00 0.00 H new ATOM 384 N TYR A 50 -10.475 1.930 -3.627 1.00 0.00 N ATOM 385 CA TYR A 50 -11.234 1.926 -2.385 1.00 0.00 C ATOM 386 C TYR A 50 -11.822 3.306 -2.116 1.00 0.00 C ATOM 387 O TYR A 50 -12.968 3.426 -1.691 1.00 0.00 O ATOM 388 CB TYR A 50 -10.346 1.498 -1.215 1.00 0.00 C ATOM 389 CG TYR A 50 -11.114 0.903 -0.055 1.00 0.00 C ATOM 390 CD1 TYR A 50 -11.599 1.696 0.978 1.00 0.00 C ATOM 391 CD2 TYR A 50 -11.354 -0.462 0.000 1.00 0.00 C ATOM 392 CE1 TYR A 50 -12.302 1.140 2.033 1.00 0.00 C ATOM 393 CE2 TYR A 50 -12.053 -1.023 1.047 1.00 0.00 C ATOM 394 CZ TYR A 50 -12.526 -0.221 2.060 1.00 0.00 C ATOM 395 OH TYR A 50 -13.220 -0.787 3.105 1.00 0.00 O ATOM 0 H TYR A 50 -9.479 1.741 -3.512 1.00 0.00 H new ATOM 0 HA TYR A 50 -12.050 1.210 -2.485 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.619 0.768 -1.570 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.784 2.362 -0.862 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -11.425 2.762 0.957 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.986 -1.097 -0.792 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -12.673 1.768 2.830 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -12.229 -2.088 1.072 1.00 0.00 H new ATOM 0 HH TYR A 50 -14.137 -0.441 3.114 1.00 0.00 H new ATOM 405 N LYS A 51 -11.035 4.343 -2.373 1.00 0.00 N ATOM 406 CA LYS A 51 -11.496 5.713 -2.190 1.00 0.00 C ATOM 407 C LYS A 51 -12.581 6.058 -3.200 1.00 0.00 C ATOM 408 O LYS A 51 -13.488 6.825 -2.901 1.00 0.00 O ATOM 409 CB LYS A 51 -10.336 6.703 -2.320 1.00 0.00 C ATOM 410 CG LYS A 51 -10.762 8.154 -2.151 1.00 0.00 C ATOM 411 CD LYS A 51 -9.607 9.113 -2.382 1.00 0.00 C ATOM 412 CE LYS A 51 -10.038 10.559 -2.191 1.00 0.00 C ATOM 413 NZ LYS A 51 -11.103 10.961 -3.149 1.00 0.00 N ATOM 0 H LYS A 51 -10.075 4.261 -2.709 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.911 5.790 -1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.578 6.465 -1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.870 6.580 -3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.567 8.380 -2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.161 8.301 -1.147 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.795 8.880 -1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.217 8.978 -3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.398 10.697 -1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.175 11.213 -2.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.233 11.992 -3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.827 10.683 -4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.994 10.490 -2.895 1.00 0.00 H new ATOM 427 N LEU A 52 -12.491 5.495 -4.391 1.00 0.00 N ATOM 428 CA LEU A 52 -13.470 5.784 -5.426 1.00 0.00 C ATOM 429 C LEU A 52 -14.835 5.220 -5.050 1.00 0.00 C ATOM 430 O LEU A 52 -15.838 5.933 -5.076 1.00 0.00 O ATOM 431 CB LEU A 52 -13.020 5.201 -6.767 1.00 0.00 C ATOM 432 CG LEU A 52 -13.976 5.455 -7.932 1.00 0.00 C ATOM 433 CD1 LEU A 52 -14.101 6.945 -8.206 1.00 0.00 C ATOM 434 CD2 LEU A 52 -13.509 4.718 -9.177 1.00 0.00 C ATOM 0 H LEU A 52 -11.758 4.841 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.552 6.867 -5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.045 5.618 -7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.887 4.125 -6.653 1.00 0.00 H new ATOM 0 HG LEU A 52 -14.960 5.074 -7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -14.786 7.106 -9.039 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -14.485 7.447 -7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -13.122 7.352 -8.458 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -14.202 4.911 -9.996 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.514 5.066 -9.454 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.475 3.647 -8.975 1.00 0.00 H new ATOM 446 N ASP A 53 -14.865 3.948 -4.676 1.00 0.00 N ATOM 447 CA ASP A 53 -16.119 3.281 -4.334 1.00 0.00 C ATOM 448 C ASP A 53 -16.615 3.679 -2.948 1.00 0.00 C ATOM 449 O ASP A 53 -17.796 3.969 -2.763 1.00 0.00 O ATOM 450 CB ASP A 53 -15.971 1.758 -4.416 1.00 0.00 C ATOM 451 CG ASP A 53 -15.872 1.252 -5.843 1.00 0.00 C ATOM 452 OD1 ASP A 53 -16.884 1.314 -6.576 1.00 0.00 O ATOM 453 OD2 ASP A 53 -14.787 0.770 -6.238 1.00 0.00 O ATOM 0 H ASP A 53 -14.038 3.356 -4.601 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.860 3.606 -5.065 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.081 1.454 -3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.824 1.288 -3.927 1.00 0.00 H new ATOM 458 N ASN A 54 -15.710 3.703 -1.978 1.00 0.00 N ATOM 459 CA ASN A 54 -16.090 3.935 -0.585 1.00 0.00 C ATOM 460 C ASN A 54 -15.947 5.403 -0.203 1.00 0.00 C ATOM 461 O ASN A 54 -16.138 5.768 0.955 1.00 0.00 O ATOM 462 CB ASN A 54 -15.252 3.066 0.356 1.00 0.00 C ATOM 463 CG ASN A 54 -15.448 1.584 0.107 1.00 0.00 C ATOM 464 OD1 ASN A 54 -16.320 0.953 0.699 1.00 0.00 O ATOM 465 ND2 ASN A 54 -14.634 1.020 -0.772 1.00 0.00 N ATOM 0 H ASN A 54 -14.710 3.565 -2.126 1.00 0.00 H new ATOM 0 HA ASN A 54 -17.140 3.659 -0.484 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.198 3.315 0.233 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -15.516 3.296 1.388 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.718 0.025 -0.980 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.923 1.581 -1.242 1.00 0.00 H new ATOM 472 N SER A 55 -15.572 6.226 -1.179 1.00 0.00 N ATOM 473 CA SER A 55 -15.556 7.686 -1.032 1.00 0.00 C ATOM 474 C SER A 55 -14.478 8.182 -0.061 1.00 0.00 C ATOM 475 O SER A 55 -14.391 9.381 0.207 1.00 0.00 O ATOM 476 CB SER A 55 -16.930 8.177 -0.574 1.00 0.00 C ATOM 477 OG SER A 55 -17.966 7.636 -1.383 1.00 0.00 O ATOM 0 H SER A 55 -15.269 5.902 -2.098 1.00 0.00 H new ATOM 0 HA SER A 55 -15.313 8.098 -2.011 1.00 0.00 H new ATOM 0 HB2 SER A 55 -17.092 7.894 0.466 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.963 9.266 -0.617 1.00 0.00 H new ATOM 0 HG SER A 55 -18.833 7.965 -1.067 1.00 0.00 H new ATOM 483 N ARG A 56 -13.657 7.278 0.459 1.00 0.00 N ATOM 484 CA ARG A 56 -12.620 7.656 1.413 1.00 0.00 C ATOM 485 C ARG A 56 -11.525 6.601 1.479 1.00 0.00 C ATOM 486 O ARG A 56 -11.699 5.482 0.994 1.00 0.00 O ATOM 487 CB ARG A 56 -13.226 7.911 2.807 1.00 0.00 C ATOM 488 CG ARG A 56 -14.218 6.852 3.281 1.00 0.00 C ATOM 489 CD ARG A 56 -13.538 5.562 3.714 1.00 0.00 C ATOM 490 NE ARG A 56 -12.663 5.756 4.869 1.00 0.00 N ATOM 491 CZ ARG A 56 -13.060 5.662 6.137 1.00 0.00 C ATOM 492 NH1 ARG A 56 -14.339 5.466 6.433 1.00 0.00 N ATOM 493 NH2 ARG A 56 -12.176 5.788 7.117 1.00 0.00 N ATOM 0 H ARG A 56 -13.688 6.283 0.238 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.166 8.584 1.066 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.415 7.979 3.532 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.727 8.879 2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.797 7.250 4.114 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.922 6.635 2.478 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -14.297 4.818 3.957 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.956 5.164 2.883 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.683 5.978 4.692 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.029 5.386 5.686 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.632 5.396 7.407 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.194 5.957 6.899 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.478 5.716 8.089 1.00 0.00 H new ATOM 507 N TYR A 57 -10.403 6.972 2.077 1.00 0.00 N ATOM 508 CA TYR A 57 -9.254 6.085 2.193 1.00 0.00 C ATOM 509 C TYR A 57 -9.486 5.003 3.236 1.00 0.00 C ATOM 510 O TYR A 57 -10.085 5.250 4.283 1.00 0.00 O ATOM 511 CB TYR A 57 -8.004 6.883 2.550 1.00 0.00 C ATOM 512 CG TYR A 57 -7.426 7.649 1.386 1.00 0.00 C ATOM 513 CD1 TYR A 57 -6.763 6.985 0.362 1.00 0.00 C ATOM 514 CD2 TYR A 57 -7.537 9.029 1.312 1.00 0.00 C ATOM 515 CE1 TYR A 57 -6.226 7.676 -0.703 1.00 0.00 C ATOM 516 CE2 TYR A 57 -7.003 9.728 0.249 1.00 0.00 C ATOM 517 CZ TYR A 57 -6.348 9.048 -0.754 1.00 0.00 C ATOM 518 OH TYR A 57 -5.812 9.744 -1.813 1.00 0.00 O ATOM 0 H TYR A 57 -10.263 7.892 2.494 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.113 5.601 1.226 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.245 7.582 3.351 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.247 6.202 2.939 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.667 5.910 0.401 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.049 9.565 2.098 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.713 7.146 -1.492 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.098 10.803 0.204 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.986 10.701 -1.697 1.00 0.00 H new ATOM 528 N PRO A 58 -9.004 3.789 2.948 1.00 0.00 N ATOM 529 CA PRO A 58 -9.142 2.638 3.844 1.00 0.00 C ATOM 530 C PRO A 58 -8.260 2.753 5.086 1.00 0.00 C ATOM 531 O PRO A 58 -7.139 3.262 5.022 1.00 0.00 O ATOM 532 CB PRO A 58 -8.677 1.468 2.974 1.00 0.00 C ATOM 533 CG PRO A 58 -7.728 2.077 2.003 1.00 0.00 C ATOM 534 CD PRO A 58 -8.273 3.442 1.711 1.00 0.00 C ATOM 0 HA PRO A 58 -10.158 2.538 4.226 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.192 0.697 3.573 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.516 0.995 2.465 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.723 2.137 2.422 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.659 1.479 1.094 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.477 4.156 1.501 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.932 3.435 0.843 1.00 0.00 H new ATOM 542 N THR A 59 -8.778 2.286 6.215 1.00 0.00 N ATOM 543 CA THR A 59 -8.013 2.235 7.452 1.00 0.00 C ATOM 544 C THR A 59 -6.959 1.123 7.359 1.00 0.00 C ATOM 545 O THR A 59 -6.919 0.395 6.368 1.00 0.00 O ATOM 546 CB THR A 59 -8.952 2.001 8.656 1.00 0.00 C ATOM 547 OG1 THR A 59 -10.201 2.671 8.427 1.00 0.00 O ATOM 548 CG2 THR A 59 -8.351 2.525 9.953 1.00 0.00 C ATOM 0 H THR A 59 -9.732 1.935 6.298 1.00 0.00 H new ATOM 0 HA THR A 59 -7.506 3.189 7.601 1.00 0.00 H new ATOM 0 HB THR A 59 -9.100 0.926 8.753 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.880 2.016 8.163 1.00 0.00 H new ATOM 0 HG21 THR A 59 -9.043 2.341 10.775 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.409 2.014 10.150 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.171 3.596 9.864 1.00 0.00 H new ATOM 556 N THR A 60 -6.131 0.990 8.390 1.00 0.00 N ATOM 557 CA THR A 60 -4.962 0.107 8.356 1.00 0.00 C ATOM 558 C THR A 60 -5.298 -1.322 7.903 1.00 0.00 C ATOM 559 O THR A 60 -4.583 -1.895 7.081 1.00 0.00 O ATOM 560 CB THR A 60 -4.247 0.081 9.732 1.00 0.00 C ATOM 561 OG1 THR A 60 -3.106 -0.785 9.693 1.00 0.00 O ATOM 562 CG2 THR A 60 -5.184 -0.366 10.847 1.00 0.00 C ATOM 0 H THR A 60 -6.248 1.488 9.272 1.00 0.00 H new ATOM 0 HA THR A 60 -4.288 0.525 7.609 1.00 0.00 H new ATOM 0 HB THR A 60 -3.923 1.100 9.943 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.451 -0.435 9.053 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.645 -0.371 11.795 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.027 0.322 10.912 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.551 -1.370 10.633 1.00 0.00 H new ATOM 570 N GLU A 61 -6.387 -1.886 8.407 1.00 0.00 N ATOM 571 CA GLU A 61 -6.772 -3.244 8.036 1.00 0.00 C ATOM 572 C GLU A 61 -7.408 -3.255 6.649 1.00 0.00 C ATOM 573 O GLU A 61 -7.153 -4.146 5.839 1.00 0.00 O ATOM 574 CB GLU A 61 -7.741 -3.827 9.073 1.00 0.00 C ATOM 575 CG GLU A 61 -8.135 -5.277 8.820 1.00 0.00 C ATOM 576 CD GLU A 61 -6.950 -6.224 8.831 1.00 0.00 C ATOM 577 OE1 GLU A 61 -6.079 -6.087 9.716 1.00 0.00 O ATOM 578 OE2 GLU A 61 -6.890 -7.120 7.965 1.00 0.00 O ATOM 0 H GLU A 61 -7.016 -1.430 9.068 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.876 -3.864 8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.285 -3.754 10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.643 -3.216 9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.851 -5.591 9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.641 -5.348 7.857 1.00 0.00 H new ATOM 585 N GLN A 62 -8.206 -2.236 6.370 1.00 0.00 N ATOM 586 CA GLN A 62 -8.969 -2.174 5.129 1.00 0.00 C ATOM 587 C GLN A 62 -8.064 -1.925 3.926 1.00 0.00 C ATOM 588 O GLN A 62 -8.350 -2.389 2.825 1.00 0.00 O ATOM 589 CB GLN A 62 -10.029 -1.077 5.217 1.00 0.00 C ATOM 590 CG GLN A 62 -10.961 -1.231 6.407 1.00 0.00 C ATOM 591 CD GLN A 62 -11.965 -0.102 6.510 1.00 0.00 C ATOM 592 OE1 GLN A 62 -11.692 0.925 7.124 1.00 0.00 O ATOM 593 NE2 GLN A 62 -13.131 -0.284 5.916 1.00 0.00 N ATOM 0 H GLN A 62 -8.344 -1.436 6.988 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.456 -3.139 4.991 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.534 -0.108 5.276 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.619 -1.078 4.301 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.493 -2.179 6.327 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.371 -1.273 7.323 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.318 -1.153 5.416 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.844 0.444 5.958 1.00 0.00 H new ATOM 602 N GLY A 63 -6.978 -1.191 4.143 1.00 0.00 N ATOM 603 CA GLY A 63 -6.068 -0.864 3.060 1.00 0.00 C ATOM 604 C GLY A 63 -5.411 -2.090 2.465 1.00 0.00 C ATOM 605 O GLY A 63 -5.403 -2.272 1.250 1.00 0.00 O ATOM 0 H GLY A 63 -6.711 -0.815 5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.613 -0.333 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.298 -0.186 3.429 1.00 0.00 H new ATOM 609 N LEU A 64 -4.874 -2.937 3.327 1.00 0.00 N ATOM 610 CA LEU A 64 -4.220 -4.161 2.894 1.00 0.00 C ATOM 611 C LEU A 64 -5.233 -5.159 2.342 1.00 0.00 C ATOM 612 O LEU A 64 -4.947 -5.894 1.399 1.00 0.00 O ATOM 613 CB LEU A 64 -3.457 -4.779 4.062 1.00 0.00 C ATOM 614 CG LEU A 64 -1.945 -4.882 3.880 1.00 0.00 C ATOM 615 CD1 LEU A 64 -1.332 -3.502 3.666 1.00 0.00 C ATOM 616 CD2 LEU A 64 -1.325 -5.563 5.089 1.00 0.00 C ATOM 0 H LEU A 64 -4.878 -2.798 4.337 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.521 -3.914 2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.658 -4.190 4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.852 -5.779 4.243 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.738 -5.482 2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.254 -3.599 3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.763 -3.046 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.540 -2.873 4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.246 -5.634 4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.541 -4.981 5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.743 -6.564 5.197 1.00 0.00 H new ATOM 628 N GLN A 65 -6.420 -5.181 2.935 1.00 0.00 N ATOM 629 CA GLN A 65 -7.468 -6.102 2.510 1.00 0.00 C ATOM 630 C GLN A 65 -8.076 -5.699 1.169 1.00 0.00 C ATOM 631 O GLN A 65 -8.584 -6.546 0.442 1.00 0.00 O ATOM 632 CB GLN A 65 -8.571 -6.196 3.566 1.00 0.00 C ATOM 633 CG GLN A 65 -8.169 -6.950 4.823 1.00 0.00 C ATOM 634 CD GLN A 65 -7.646 -8.341 4.527 1.00 0.00 C ATOM 635 OE1 GLN A 65 -8.415 -9.296 4.414 1.00 0.00 O ATOM 636 NE2 GLN A 65 -6.333 -8.472 4.431 1.00 0.00 N ATOM 0 H GLN A 65 -6.681 -4.573 3.711 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.999 -7.078 2.389 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.879 -5.188 3.844 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.440 -6.685 3.125 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.403 -6.383 5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.029 -7.023 5.489 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.730 -7.655 4.531 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.923 -9.390 4.257 1.00 0.00 H new ATOM 645 N ALA A 66 -7.988 -4.419 0.827 1.00 0.00 N ATOM 646 CA ALA A 66 -8.681 -3.878 -0.343 1.00 0.00 C ATOM 647 C ALA A 66 -8.264 -4.569 -1.642 1.00 0.00 C ATOM 648 O ALA A 66 -9.054 -4.668 -2.581 1.00 0.00 O ATOM 649 CB ALA A 66 -8.435 -2.383 -0.445 1.00 0.00 C ATOM 0 H ALA A 66 -7.441 -3.731 1.345 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.745 -4.069 -0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.954 -1.988 -1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.809 -1.891 0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.366 -2.196 -0.543 1.00 0.00 H new ATOM 655 N LEU A 67 -7.034 -5.054 -1.691 1.00 0.00 N ATOM 656 CA LEU A 67 -6.536 -5.722 -2.885 1.00 0.00 C ATOM 657 C LEU A 67 -6.508 -7.230 -2.709 1.00 0.00 C ATOM 658 O LEU A 67 -6.144 -7.961 -3.626 1.00 0.00 O ATOM 659 CB LEU A 67 -5.146 -5.221 -3.306 1.00 0.00 C ATOM 660 CG LEU A 67 -4.016 -5.273 -2.267 1.00 0.00 C ATOM 661 CD1 LEU A 67 -2.677 -5.108 -2.967 1.00 0.00 C ATOM 662 CD2 LEU A 67 -4.166 -4.185 -1.211 1.00 0.00 C ATOM 0 H LEU A 67 -6.365 -4.999 -0.923 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.236 -5.471 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.830 -5.802 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.249 -4.187 -3.636 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.069 -6.240 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.874 -5.145 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.543 -5.912 -3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.652 -4.148 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.347 -4.257 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.144 -3.207 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.115 -4.312 -0.690 1.00 0.00 H new ATOM 674 N VAL A 68 -6.886 -7.688 -1.532 1.00 0.00 N ATOM 675 CA VAL A 68 -6.822 -9.103 -1.208 1.00 0.00 C ATOM 676 C VAL A 68 -8.220 -9.709 -1.117 1.00 0.00 C ATOM 677 O VAL A 68 -8.565 -10.632 -1.854 1.00 0.00 O ATOM 678 CB VAL A 68 -6.078 -9.309 0.124 1.00 0.00 C ATOM 679 CG1 VAL A 68 -6.121 -10.765 0.564 1.00 0.00 C ATOM 680 CG2 VAL A 68 -4.642 -8.832 0.009 1.00 0.00 C ATOM 0 H VAL A 68 -7.243 -7.099 -0.779 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.279 -9.608 -2.007 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.585 -8.715 0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.587 -10.876 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.158 -11.075 0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.649 -11.389 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.131 -8.985 0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.133 -9.396 -0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.630 -7.772 -0.243 1.00 0.00 H new ATOM 690 N SER A 69 -9.014 -9.175 -0.210 1.00 0.00 N ATOM 691 CA SER A 69 -10.373 -9.635 0.005 1.00 0.00 C ATOM 692 C SER A 69 -11.177 -8.517 0.645 1.00 0.00 C ATOM 693 O SER A 69 -10.693 -7.868 1.572 1.00 0.00 O ATOM 694 CB SER A 69 -10.371 -10.884 0.892 1.00 0.00 C ATOM 695 OG SER A 69 -9.541 -10.707 2.030 1.00 0.00 O ATOM 0 H SER A 69 -8.735 -8.407 0.401 1.00 0.00 H new ATOM 0 HA SER A 69 -10.830 -9.901 -0.948 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.389 -11.107 1.213 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.024 -11.741 0.316 1.00 0.00 H new ATOM 0 HG SER A 69 -9.560 -11.519 2.579 1.00 0.00 H new ATOM 701 N ALA A 70 -12.397 -8.304 0.159 1.00 0.00 N ATOM 702 CA ALA A 70 -13.200 -7.157 0.571 1.00 0.00 C ATOM 703 C ALA A 70 -13.319 -7.080 2.085 1.00 0.00 C ATOM 704 O ALA A 70 -13.794 -8.019 2.727 1.00 0.00 O ATOM 705 CB ALA A 70 -14.582 -7.235 -0.051 1.00 0.00 C ATOM 0 H ALA A 70 -12.852 -8.912 -0.522 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.697 -6.255 0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.172 -6.374 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.493 -7.236 -1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.076 -8.151 0.273 1.00 0.00 H new ATOM 711 N PRO A 71 -12.875 -5.955 2.669 1.00 0.00 N ATOM 712 CA PRO A 71 -12.912 -5.740 4.115 1.00 0.00 C ATOM 713 C PRO A 71 -14.315 -5.871 4.690 1.00 0.00 C ATOM 714 O PRO A 71 -15.287 -5.371 4.117 1.00 0.00 O ATOM 715 CB PRO A 71 -12.412 -4.302 4.282 1.00 0.00 C ATOM 716 CG PRO A 71 -11.615 -4.030 3.058 1.00 0.00 C ATOM 717 CD PRO A 71 -12.277 -4.809 1.959 1.00 0.00 C ATOM 0 HA PRO A 71 -12.313 -6.482 4.643 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.243 -3.603 4.376 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.804 -4.197 5.181 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.601 -2.964 2.829 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.579 -4.341 3.189 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.033 -4.216 1.444 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.558 -5.133 1.206 1.00 0.00 H new ATOM 725 N SER A 72 -14.414 -6.543 5.826 1.00 0.00 N ATOM 726 CA SER A 72 -15.684 -6.674 6.520 1.00 0.00 C ATOM 727 C SER A 72 -15.860 -5.516 7.497 1.00 0.00 C ATOM 728 O SER A 72 -16.834 -5.455 8.245 1.00 0.00 O ATOM 729 CB SER A 72 -15.750 -8.017 7.248 1.00 0.00 C ATOM 730 OG SER A 72 -15.525 -9.089 6.344 1.00 0.00 O ATOM 0 H SER A 72 -13.630 -7.006 6.286 1.00 0.00 H new ATOM 0 HA SER A 72 -16.497 -6.641 5.794 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.005 -8.042 8.043 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.725 -8.132 7.721 1.00 0.00 H new ATOM 0 HG SER A 72 -15.569 -9.940 6.828 1.00 0.00 H new ATOM 736 N ALA A 73 -14.899 -4.602 7.470 1.00 0.00 N ATOM 737 CA ALA A 73 -14.946 -3.400 8.285 1.00 0.00 C ATOM 738 C ALA A 73 -15.640 -2.281 7.524 1.00 0.00 C ATOM 739 O ALA A 73 -15.566 -2.224 6.296 1.00 0.00 O ATOM 740 CB ALA A 73 -13.537 -2.977 8.665 1.00 0.00 C ATOM 0 H ALA A 73 -14.068 -4.675 6.883 1.00 0.00 H new ATOM 0 HA ALA A 73 -15.510 -3.609 9.194 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.580 -2.075 9.276 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.057 -3.776 9.231 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.961 -2.776 7.762 1.00 0.00 H new ATOM 746 N GLU A 74 -16.314 -1.404 8.254 1.00 0.00 N ATOM 747 CA GLU A 74 -17.023 -0.283 7.651 1.00 0.00 C ATOM 748 C GLU A 74 -16.056 0.829 7.255 1.00 0.00 C ATOM 749 O GLU A 74 -15.141 1.163 8.009 1.00 0.00 O ATOM 750 CB GLU A 74 -18.076 0.254 8.620 1.00 0.00 C ATOM 751 CG GLU A 74 -19.315 -0.621 8.710 1.00 0.00 C ATOM 752 CD GLU A 74 -20.177 -0.529 7.469 1.00 0.00 C ATOM 753 OE1 GLU A 74 -21.164 0.235 7.485 1.00 0.00 O ATOM 754 OE2 GLU A 74 -19.875 -1.209 6.466 1.00 0.00 O ATOM 0 H GLU A 74 -16.385 -1.447 9.271 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.518 -0.639 6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.633 0.347 9.612 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -18.370 1.256 8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -19.014 -1.657 8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -19.902 -0.327 9.580 1.00 0.00 H new ATOM 761 N PRO A 75 -16.240 1.419 6.062 1.00 0.00 N ATOM 762 CA PRO A 75 -17.311 1.034 5.139 1.00 0.00 C ATOM 763 C PRO A 75 -16.983 -0.245 4.375 1.00 0.00 C ATOM 764 O PRO A 75 -15.882 -0.397 3.837 1.00 0.00 O ATOM 765 CB PRO A 75 -17.384 2.224 4.186 1.00 0.00 C ATOM 766 CG PRO A 75 -15.995 2.759 4.152 1.00 0.00 C ATOM 767 CD PRO A 75 -15.414 2.513 5.521 1.00 0.00 C ATOM 0 HA PRO A 75 -18.247 0.821 5.655 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -17.716 1.918 3.194 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -18.090 2.975 4.541 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -15.405 2.260 3.384 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -15.994 3.823 3.914 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -14.363 2.230 5.465 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -15.471 3.404 6.146 1.00 0.00 H new ATOM 775 N HIS A 76 -17.937 -1.164 4.351 1.00 0.00 N ATOM 776 CA HIS A 76 -17.771 -2.422 3.641 1.00 0.00 C ATOM 777 C HIS A 76 -17.614 -2.165 2.146 1.00 0.00 C ATOM 778 O HIS A 76 -18.446 -1.495 1.532 1.00 0.00 O ATOM 779 CB HIS A 76 -18.974 -3.332 3.904 1.00 0.00 C ATOM 780 CG HIS A 76 -18.745 -4.763 3.525 1.00 0.00 C ATOM 781 ND1 HIS A 76 -18.639 -5.774 4.454 1.00 0.00 N ATOM 782 CD2 HIS A 76 -18.606 -5.353 2.316 1.00 0.00 C ATOM 783 CE1 HIS A 76 -18.441 -6.920 3.832 1.00 0.00 C ATOM 784 NE2 HIS A 76 -18.417 -6.692 2.534 1.00 0.00 N ATOM 0 H HIS A 76 -18.838 -1.060 4.818 1.00 0.00 H new ATOM 0 HA HIS A 76 -16.871 -2.918 4.003 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -19.230 -3.283 4.962 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -19.833 -2.952 3.350 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -18.638 -4.859 1.356 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -18.319 -7.883 4.306 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -18.280 -7.397 1.810 1.00 0.00 H new ATOM 793 N ALA A 77 -16.539 -2.701 1.580 1.00 0.00 N ATOM 794 CA ALA A 77 -16.227 -2.511 0.170 1.00 0.00 C ATOM 795 C ALA A 77 -17.329 -3.063 -0.731 1.00 0.00 C ATOM 796 O ALA A 77 -17.798 -4.185 -0.541 1.00 0.00 O ATOM 797 CB ALA A 77 -14.897 -3.167 -0.160 1.00 0.00 C ATOM 0 H ALA A 77 -15.863 -3.276 2.083 1.00 0.00 H new ATOM 0 HA ALA A 77 -16.157 -1.439 -0.016 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -14.671 -3.020 -1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -14.110 -2.718 0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.955 -4.234 0.054 1.00 0.00 H new ATOM 803 N ARG A 78 -17.735 -2.260 -1.704 1.00 0.00 N ATOM 804 CA ARG A 78 -18.774 -2.647 -2.647 1.00 0.00 C ATOM 805 C ARG A 78 -18.216 -2.678 -4.060 1.00 0.00 C ATOM 806 O ARG A 78 -17.288 -1.931 -4.378 1.00 0.00 O ATOM 807 CB ARG A 78 -19.948 -1.668 -2.583 1.00 0.00 C ATOM 808 CG ARG A 78 -20.662 -1.644 -1.240 1.00 0.00 C ATOM 809 CD ARG A 78 -21.321 -2.979 -0.930 1.00 0.00 C ATOM 810 NE ARG A 78 -22.300 -3.359 -1.947 1.00 0.00 N ATOM 811 CZ ARG A 78 -23.429 -4.016 -1.689 1.00 0.00 C ATOM 812 NH1 ARG A 78 -23.734 -4.364 -0.445 1.00 0.00 N ATOM 813 NH2 ARG A 78 -24.252 -4.323 -2.682 1.00 0.00 N ATOM 0 H ARG A 78 -17.356 -1.326 -1.862 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.127 -3.642 -2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.584 -0.665 -2.807 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -20.667 -1.927 -3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -19.949 -1.399 -0.453 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -21.417 -0.857 -1.243 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -20.556 -3.752 -0.857 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -21.812 -2.924 0.042 1.00 0.00 H new ATOM 0 HE ARG A 78 -22.106 -3.105 -2.916 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -23.102 -4.128 0.320 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -24.600 -4.867 -0.254 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -24.019 -4.056 -3.638 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -25.118 -4.826 -2.489 1.00 0.00 H new ATOM 827 N ASN A 79 -18.780 -3.552 -4.893 1.00 0.00 N ATOM 828 CA ASN A 79 -18.386 -3.662 -6.299 1.00 0.00 C ATOM 829 C ASN A 79 -16.909 -4.010 -6.414 1.00 0.00 C ATOM 830 O ASN A 79 -16.174 -3.434 -7.220 1.00 0.00 O ATOM 831 CB ASN A 79 -18.693 -2.362 -7.052 1.00 0.00 C ATOM 832 CG ASN A 79 -20.181 -2.085 -7.147 1.00 0.00 C ATOM 833 OD1 ASN A 79 -20.994 -3.003 -7.251 1.00 0.00 O ATOM 834 ND2 ASN A 79 -20.552 -0.818 -7.091 1.00 0.00 N ATOM 0 H ASN A 79 -19.518 -4.200 -4.616 1.00 0.00 H new ATOM 0 HA ASN A 79 -18.966 -4.465 -6.754 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -18.203 -1.529 -6.548 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -18.272 -2.419 -8.056 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -21.541 -0.574 -7.134 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -19.849 -0.084 -7.005 1.00 0.00 H new ATOM 841 N TYR A 80 -16.486 -4.955 -5.593 1.00 0.00 N ATOM 842 CA TYR A 80 -15.095 -5.374 -5.555 1.00 0.00 C ATOM 843 C TYR A 80 -14.885 -6.592 -6.450 1.00 0.00 C ATOM 844 O TYR A 80 -15.819 -7.359 -6.697 1.00 0.00 O ATOM 845 CB TYR A 80 -14.686 -5.699 -4.112 1.00 0.00 C ATOM 846 CG TYR A 80 -15.435 -6.868 -3.503 1.00 0.00 C ATOM 847 CD1 TYR A 80 -14.905 -8.152 -3.543 1.00 0.00 C ATOM 848 CD2 TYR A 80 -16.667 -6.686 -2.886 1.00 0.00 C ATOM 849 CE1 TYR A 80 -15.580 -9.220 -2.987 1.00 0.00 C ATOM 850 CE2 TYR A 80 -17.349 -7.751 -2.327 1.00 0.00 C ATOM 851 CZ TYR A 80 -16.801 -9.016 -2.382 1.00 0.00 C ATOM 852 OH TYR A 80 -17.472 -10.080 -1.824 1.00 0.00 O ATOM 0 H TYR A 80 -17.091 -5.451 -4.938 1.00 0.00 H new ATOM 0 HA TYR A 80 -14.471 -4.560 -5.925 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -13.618 -5.914 -4.089 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -14.847 -4.816 -3.493 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -13.949 -8.317 -4.017 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -17.099 -5.697 -2.842 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -15.153 -10.211 -3.026 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -18.305 -7.594 -1.850 1.00 0.00 H new ATOM 0 HH TYR A 80 -18.316 -9.768 -1.437 1.00 0.00 H new ATOM 862 N PRO A 81 -13.664 -6.778 -6.963 1.00 0.00 N ATOM 863 CA PRO A 81 -13.322 -7.954 -7.754 1.00 0.00 C ATOM 864 C PRO A 81 -13.118 -9.176 -6.866 1.00 0.00 C ATOM 865 O PRO A 81 -12.554 -9.071 -5.774 1.00 0.00 O ATOM 866 CB PRO A 81 -12.016 -7.553 -8.443 1.00 0.00 C ATOM 867 CG PRO A 81 -11.397 -6.536 -7.547 1.00 0.00 C ATOM 868 CD PRO A 81 -12.524 -5.853 -6.817 1.00 0.00 C ATOM 0 HA PRO A 81 -14.107 -8.232 -8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.360 -8.413 -8.574 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.204 -7.142 -9.435 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.711 -7.008 -6.844 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.817 -5.815 -8.123 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.277 -5.688 -5.768 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.745 -4.877 -7.250 1.00 0.00 H new ATOM 876 N GLU A 82 -13.591 -10.329 -7.324 1.00 0.00 N ATOM 877 CA GLU A 82 -13.449 -11.563 -6.562 1.00 0.00 C ATOM 878 C GLU A 82 -11.980 -11.920 -6.411 1.00 0.00 C ATOM 879 O GLU A 82 -11.251 -12.004 -7.401 1.00 0.00 O ATOM 880 CB GLU A 82 -14.200 -12.709 -7.235 1.00 0.00 C ATOM 881 CG GLU A 82 -15.700 -12.488 -7.319 1.00 0.00 C ATOM 882 CD GLU A 82 -16.432 -13.702 -7.845 1.00 0.00 C ATOM 883 OE1 GLU A 82 -16.640 -13.792 -9.073 1.00 0.00 O ATOM 884 OE2 GLU A 82 -16.802 -14.573 -7.031 1.00 0.00 O ATOM 0 H GLU A 82 -14.074 -10.435 -8.216 1.00 0.00 H new ATOM 0 HA GLU A 82 -13.881 -11.404 -5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.805 -12.849 -8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.007 -13.630 -6.686 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -16.083 -12.236 -6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.903 -11.635 -7.967 1.00 0.00 H new ATOM 891 N GLY A 83 -11.545 -12.100 -5.174 1.00 0.00 N ATOM 892 CA GLY A 83 -10.148 -12.376 -4.915 1.00 0.00 C ATOM 893 C GLY A 83 -9.312 -11.116 -4.967 1.00 0.00 C ATOM 894 O GLY A 83 -8.082 -11.179 -4.973 1.00 0.00 O ATOM 0 H GLY A 83 -12.135 -12.060 -4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.044 -12.842 -3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.776 -13.091 -5.649 1.00 0.00 H new ATOM 898 N GLY A 84 -9.994 -9.973 -5.020 1.00 0.00 N ATOM 899 CA GLY A 84 -9.322 -8.692 -5.081 1.00 0.00 C ATOM 900 C GLY A 84 -8.427 -8.577 -6.296 1.00 0.00 C ATOM 901 O GLY A 84 -8.886 -8.680 -7.432 1.00 0.00 O ATOM 0 H GLY A 84 -11.012 -9.916 -5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.064 -7.894 -5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.727 -8.552 -4.178 1.00 0.00 H new ATOM 905 N TYR A 85 -7.148 -8.373 -6.049 1.00 0.00 N ATOM 906 CA TYR A 85 -6.153 -8.323 -7.103 1.00 0.00 C ATOM 907 C TYR A 85 -5.042 -9.316 -6.779 1.00 0.00 C ATOM 908 O TYR A 85 -4.515 -9.994 -7.660 1.00 0.00 O ATOM 909 CB TYR A 85 -5.602 -6.900 -7.250 1.00 0.00 C ATOM 910 CG TYR A 85 -6.650 -5.890 -7.682 1.00 0.00 C ATOM 911 CD1 TYR A 85 -7.239 -5.024 -6.763 1.00 0.00 C ATOM 912 CD2 TYR A 85 -7.055 -5.808 -9.008 1.00 0.00 C ATOM 913 CE1 TYR A 85 -8.201 -4.112 -7.158 1.00 0.00 C ATOM 914 CE2 TYR A 85 -8.014 -4.896 -9.409 1.00 0.00 C ATOM 915 CZ TYR A 85 -8.585 -4.051 -8.481 1.00 0.00 C ATOM 916 OH TYR A 85 -9.543 -3.144 -8.877 1.00 0.00 O ATOM 0 H TYR A 85 -6.769 -8.237 -5.112 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.607 -8.597 -8.055 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.174 -6.584 -6.299 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.791 -6.906 -7.978 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.940 -5.065 -5.726 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.613 -6.469 -9.739 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -8.650 -3.450 -6.433 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.315 -4.846 -10.445 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.697 -3.231 -9.841 1.00 0.00 H new ATOM 926 N ILE A 86 -4.722 -9.413 -5.497 1.00 0.00 N ATOM 927 CA ILE A 86 -3.797 -10.416 -5.000 1.00 0.00 C ATOM 928 C ILE A 86 -4.484 -11.217 -3.891 1.00 0.00 C ATOM 929 O ILE A 86 -5.037 -10.648 -2.955 1.00 0.00 O ATOM 930 CB ILE A 86 -2.479 -9.777 -4.494 1.00 0.00 C ATOM 931 CG1 ILE A 86 -1.521 -10.854 -3.979 1.00 0.00 C ATOM 932 CG2 ILE A 86 -2.750 -8.735 -3.418 1.00 0.00 C ATOM 933 CD1 ILE A 86 -0.163 -10.319 -3.572 1.00 0.00 C ATOM 0 H ILE A 86 -5.097 -8.799 -4.774 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.526 -11.084 -5.817 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.006 -9.271 -5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.976 -11.353 -3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.387 -11.609 -4.754 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.806 -8.304 -3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.384 -7.947 -3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.254 -9.206 -2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.460 -11.140 -3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.314 -9.845 -4.430 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.285 -9.586 -2.774 1.00 0.00 H new ATOM 945 N ARG A 87 -4.475 -12.537 -4.017 1.00 0.00 N ATOM 946 CA ARG A 87 -5.279 -13.395 -3.147 1.00 0.00 C ATOM 947 C ARG A 87 -4.776 -13.415 -1.706 1.00 0.00 C ATOM 948 O ARG A 87 -5.532 -13.739 -0.787 1.00 0.00 O ATOM 949 CB ARG A 87 -5.349 -14.820 -3.697 1.00 0.00 C ATOM 950 CG ARG A 87 -6.089 -14.919 -5.021 1.00 0.00 C ATOM 951 CD ARG A 87 -6.378 -16.364 -5.394 1.00 0.00 C ATOM 952 NE ARG A 87 -7.300 -16.996 -4.452 1.00 0.00 N ATOM 953 CZ ARG A 87 -7.418 -18.312 -4.290 1.00 0.00 C ATOM 954 NH1 ARG A 87 -6.660 -19.147 -4.993 1.00 0.00 N ATOM 955 NH2 ARG A 87 -8.296 -18.794 -3.422 1.00 0.00 N ATOM 0 H ARG A 87 -3.922 -13.040 -4.711 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.280 -12.964 -3.134 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.336 -15.202 -3.825 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.841 -15.461 -2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.025 -14.365 -4.957 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.495 -14.452 -5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.802 -16.402 -6.398 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.444 -16.926 -5.421 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.891 -16.390 -3.883 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.983 -18.781 -5.662 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.756 -20.154 -4.864 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.880 -18.157 -2.880 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.388 -19.802 -3.296 1.00 0.00 H new ATOM 969 N ARG A 88 -3.516 -13.070 -1.503 1.00 0.00 N ATOM 970 CA ARG A 88 -2.934 -13.080 -0.168 1.00 0.00 C ATOM 971 C ARG A 88 -2.243 -11.759 0.121 1.00 0.00 C ATOM 972 O ARG A 88 -2.002 -10.970 -0.790 1.00 0.00 O ATOM 973 CB ARG A 88 -1.932 -14.226 -0.024 1.00 0.00 C ATOM 974 CG ARG A 88 -2.555 -15.607 -0.142 1.00 0.00 C ATOM 975 CD ARG A 88 -1.517 -16.697 0.051 1.00 0.00 C ATOM 976 NE ARG A 88 -0.898 -16.637 1.376 1.00 0.00 N ATOM 977 CZ ARG A 88 0.275 -17.192 1.680 1.00 0.00 C ATOM 978 NH1 ARG A 88 0.968 -17.841 0.751 1.00 0.00 N ATOM 979 NH2 ARG A 88 0.758 -17.092 2.913 1.00 0.00 N ATOM 0 H ARG A 88 -2.876 -12.780 -2.242 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.741 -13.225 0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.161 -14.120 -0.787 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.437 -14.143 0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.344 -15.717 0.602 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.022 -15.715 -1.121 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.985 -17.672 -0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.746 -16.603 -0.714 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.396 -16.139 2.114 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.603 -17.916 -0.198 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.865 -18.265 0.987 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.231 -16.590 3.628 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.656 -17.517 3.145 1.00 0.00 H new ATOM 993 N LEU A 89 -1.944 -11.521 1.393 1.00 0.00 N ATOM 994 CA LEU A 89 -1.264 -10.300 1.805 1.00 0.00 C ATOM 995 C LEU A 89 0.098 -10.183 1.135 1.00 0.00 C ATOM 996 O LEU A 89 0.913 -11.107 1.198 1.00 0.00 O ATOM 997 CB LEU A 89 -1.094 -10.259 3.325 1.00 0.00 C ATOM 998 CG LEU A 89 -2.378 -10.039 4.125 1.00 0.00 C ATOM 999 CD1 LEU A 89 -2.081 -10.059 5.615 1.00 0.00 C ATOM 1000 CD2 LEU A 89 -3.031 -8.723 3.733 1.00 0.00 C ATOM 0 H LEU A 89 -2.163 -12.159 2.158 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.882 -9.458 1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.642 -11.197 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.391 -9.464 3.573 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.071 -10.849 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.004 -9.901 6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.653 -11.024 5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.372 -9.267 5.855 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.944 -8.583 4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.344 -7.901 3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.275 -8.740 2.671 1.00 0.00 H new ATOM 1012 N PRO A 90 0.352 -9.047 0.469 1.00 0.00 N ATOM 1013 CA PRO A 90 1.629 -8.795 -0.192 1.00 0.00 C ATOM 1014 C PRO A 90 2.762 -8.653 0.817 1.00 0.00 C ATOM 1015 O PRO A 90 2.599 -8.032 1.871 1.00 0.00 O ATOM 1016 CB PRO A 90 1.399 -7.480 -0.943 1.00 0.00 C ATOM 1017 CG PRO A 90 0.279 -6.814 -0.220 1.00 0.00 C ATOM 1018 CD PRO A 90 -0.586 -7.921 0.314 1.00 0.00 C ATOM 0 HA PRO A 90 1.925 -9.614 -0.848 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.296 -6.860 -0.938 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.143 -7.661 -1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.655 -6.188 0.589 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -0.286 -6.165 -0.889 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -1.046 -7.648 1.264 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -1.396 -8.165 -0.374 1.00 0.00 H new ATOM 1026 N GLN A 91 3.905 -9.235 0.494 1.00 0.00 N ATOM 1027 CA GLN A 91 5.056 -9.203 1.380 1.00 0.00 C ATOM 1028 C GLN A 91 6.302 -8.833 0.591 1.00 0.00 C ATOM 1029 O GLN A 91 6.493 -9.301 -0.536 1.00 0.00 O ATOM 1030 CB GLN A 91 5.240 -10.568 2.048 1.00 0.00 C ATOM 1031 CG GLN A 91 4.009 -11.036 2.806 1.00 0.00 C ATOM 1032 CD GLN A 91 4.161 -12.429 3.375 1.00 0.00 C ATOM 1033 OE1 GLN A 91 5.261 -12.857 3.728 1.00 0.00 O ATOM 1034 NE2 GLN A 91 3.055 -13.147 3.475 1.00 0.00 N ATOM 0 H GLN A 91 4.060 -9.738 -0.380 1.00 0.00 H new ATOM 0 HA GLN A 91 4.891 -8.454 2.154 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.492 -11.306 1.287 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.084 -10.518 2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.801 -10.338 3.617 1.00 0.00 H new ATOM 0 HG3 GLN A 91 3.148 -11.014 2.139 1.00 0.00 H new ATOM 0 HE21 GLN A 91 2.164 -12.755 3.171 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.093 -14.092 3.856 1.00 0.00 H new ATOM 1043 N ASP A 92 7.138 -7.984 1.176 1.00 0.00 N ATOM 1044 CA ASP A 92 8.373 -7.565 0.528 1.00 0.00 C ATOM 1045 C ASP A 92 9.319 -8.756 0.427 1.00 0.00 C ATOM 1046 O ASP A 92 9.225 -9.702 1.212 1.00 0.00 O ATOM 1047 CB ASP A 92 9.034 -6.379 1.266 1.00 0.00 C ATOM 1048 CG ASP A 92 9.410 -6.652 2.716 1.00 0.00 C ATOM 1049 OD1 ASP A 92 10.067 -7.682 2.993 1.00 0.00 O ATOM 1050 OD2 ASP A 92 9.077 -5.808 3.582 1.00 0.00 O ATOM 0 H ASP A 92 6.983 -7.573 2.097 1.00 0.00 H new ATOM 0 HA ASP A 92 8.138 -7.211 -0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.933 -6.088 0.722 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.354 -5.528 1.237 1.00 0.00 H new ATOM 1055 N PRO A 93 10.215 -8.741 -0.581 1.00 0.00 N ATOM 1056 CA PRO A 93 11.058 -9.892 -0.926 1.00 0.00 C ATOM 1057 C PRO A 93 11.948 -10.345 0.218 1.00 0.00 C ATOM 1058 O PRO A 93 12.470 -11.460 0.202 1.00 0.00 O ATOM 1059 CB PRO A 93 11.925 -9.389 -2.084 1.00 0.00 C ATOM 1060 CG PRO A 93 11.231 -8.183 -2.608 1.00 0.00 C ATOM 1061 CD PRO A 93 10.490 -7.585 -1.450 1.00 0.00 C ATOM 0 HA PRO A 93 10.444 -10.758 -1.173 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.931 -9.145 -1.743 1.00 0.00 H new ATOM 0 HB3 PRO A 93 12.026 -10.150 -2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.946 -7.472 -3.020 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.545 -8.448 -3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.088 -6.831 -0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.570 -7.097 -1.772 1.00 0.00 H new ATOM 1069 N TRP A 94 12.130 -9.476 1.198 1.00 0.00 N ATOM 1070 CA TRP A 94 12.978 -9.783 2.331 1.00 0.00 C ATOM 1071 C TRP A 94 12.228 -10.630 3.351 1.00 0.00 C ATOM 1072 O TRP A 94 12.836 -11.408 4.090 1.00 0.00 O ATOM 1073 CB TRP A 94 13.501 -8.495 2.955 1.00 0.00 C ATOM 1074 CG TRP A 94 14.248 -7.642 1.971 1.00 0.00 C ATOM 1075 CD1 TRP A 94 15.525 -7.830 1.527 1.00 0.00 C ATOM 1076 CD2 TRP A 94 13.760 -6.471 1.306 1.00 0.00 C ATOM 1077 NE1 TRP A 94 15.862 -6.845 0.632 1.00 0.00 N ATOM 1078 CE2 TRP A 94 14.797 -5.998 0.480 1.00 0.00 C ATOM 1079 CE3 TRP A 94 12.551 -5.776 1.330 1.00 0.00 C ATOM 1080 CZ2 TRP A 94 14.658 -4.863 -0.313 1.00 0.00 C ATOM 1081 CZ3 TRP A 94 12.413 -4.649 0.543 1.00 0.00 C ATOM 1082 CH2 TRP A 94 13.463 -4.203 -0.269 1.00 0.00 C ATOM 0 H TRP A 94 11.700 -8.552 1.229 1.00 0.00 H new ATOM 0 HA TRP A 94 13.832 -10.366 1.986 1.00 0.00 H new ATOM 0 HB2 TRP A 94 12.665 -7.927 3.362 1.00 0.00 H new ATOM 0 HB3 TRP A 94 14.157 -8.740 3.790 1.00 0.00 H new ATOM 0 HD1 TRP A 94 16.175 -8.636 1.835 1.00 0.00 H new ATOM 0 HE1 TRP A 94 16.760 -6.758 0.157 1.00 0.00 H new ATOM 0 HE3 TRP A 94 11.736 -6.113 1.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 15.466 -4.517 -0.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 11.481 -4.104 0.554 1.00 0.00 H new ATOM 0 HH2 TRP A 94 13.325 -3.319 -0.873 1.00 0.00 H new ATOM 1093 N GLY A 95 10.905 -10.502 3.371 1.00 0.00 N ATOM 1094 CA GLY A 95 10.099 -11.376 4.199 1.00 0.00 C ATOM 1095 C GLY A 95 9.148 -10.642 5.125 1.00 0.00 C ATOM 1096 O GLY A 95 8.557 -11.257 6.015 1.00 0.00 O ATOM 0 H GLY A 95 10.381 -9.813 2.832 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.523 -12.040 3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.759 -12.005 4.796 1.00 0.00 H new ATOM 1100 N SER A 96 8.989 -9.344 4.934 1.00 0.00 N ATOM 1101 CA SER A 96 8.107 -8.568 5.790 1.00 0.00 C ATOM 1102 C SER A 96 6.792 -8.254 5.081 1.00 0.00 C ATOM 1103 O SER A 96 6.748 -8.111 3.860 1.00 0.00 O ATOM 1104 CB SER A 96 8.792 -7.278 6.223 1.00 0.00 C ATOM 1105 OG SER A 96 10.082 -7.537 6.755 1.00 0.00 O ATOM 0 H SER A 96 9.454 -8.808 4.201 1.00 0.00 H new ATOM 0 HA SER A 96 7.883 -9.164 6.674 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.876 -6.604 5.371 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.182 -6.772 6.971 1.00 0.00 H new ATOM 0 HG SER A 96 10.750 -7.020 6.259 1.00 0.00 H new ATOM 1111 N ASP A 97 5.724 -8.163 5.856 1.00 0.00 N ATOM 1112 CA ASP A 97 4.400 -7.873 5.321 1.00 0.00 C ATOM 1113 C ASP A 97 4.218 -6.368 5.160 1.00 0.00 C ATOM 1114 O ASP A 97 4.554 -5.601 6.065 1.00 0.00 O ATOM 1115 CB ASP A 97 3.320 -8.425 6.260 1.00 0.00 C ATOM 1116 CG ASP A 97 3.376 -9.936 6.423 1.00 0.00 C ATOM 1117 OD1 ASP A 97 4.323 -10.443 7.063 1.00 0.00 O ATOM 1118 OD2 ASP A 97 2.454 -10.623 5.943 1.00 0.00 O ATOM 0 H ASP A 97 5.747 -8.287 6.868 1.00 0.00 H new ATOM 0 HA ASP A 97 4.305 -8.351 4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.426 -7.957 7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.339 -8.144 5.878 1.00 0.00 H new ATOM 1123 N TYR A 98 3.699 -5.952 4.005 1.00 0.00 N ATOM 1124 CA TYR A 98 3.422 -4.537 3.750 1.00 0.00 C ATOM 1125 C TYR A 98 2.419 -4.007 4.757 1.00 0.00 C ATOM 1126 O TYR A 98 1.557 -4.748 5.218 1.00 0.00 O ATOM 1127 CB TYR A 98 2.869 -4.329 2.338 1.00 0.00 C ATOM 1128 CG TYR A 98 3.895 -4.496 1.243 1.00 0.00 C ATOM 1129 CD1 TYR A 98 4.625 -3.414 0.767 1.00 0.00 C ATOM 1130 CD2 TYR A 98 4.130 -5.737 0.680 1.00 0.00 C ATOM 1131 CE1 TYR A 98 5.561 -3.574 -0.237 1.00 0.00 C ATOM 1132 CE2 TYR A 98 5.060 -5.907 -0.319 1.00 0.00 C ATOM 1133 CZ TYR A 98 5.773 -4.827 -0.776 1.00 0.00 C ATOM 1134 OH TYR A 98 6.699 -5.006 -1.774 1.00 0.00 O ATOM 0 H TYR A 98 3.462 -6.573 3.231 1.00 0.00 H new ATOM 0 HA TYR A 98 4.362 -3.994 3.845 1.00 0.00 H new ATOM 0 HB2 TYR A 98 2.056 -5.035 2.170 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.441 -3.329 2.271 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.459 -2.433 1.188 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.571 -6.591 1.032 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.123 -2.725 -0.597 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.228 -6.886 -0.742 1.00 0.00 H new ATOM 0 HH TYR A 98 6.380 -5.692 -2.397 1.00 0.00 H new ATOM 1144 N GLN A 99 2.526 -2.732 5.095 1.00 0.00 N ATOM 1145 CA GLN A 99 1.631 -2.146 6.078 1.00 0.00 C ATOM 1146 C GLN A 99 1.024 -0.848 5.570 1.00 0.00 C ATOM 1147 O GLN A 99 1.677 -0.069 4.866 1.00 0.00 O ATOM 1148 CB GLN A 99 2.368 -1.899 7.396 1.00 0.00 C ATOM 1149 CG GLN A 99 2.893 -3.169 8.044 1.00 0.00 C ATOM 1150 CD GLN A 99 1.790 -4.154 8.381 1.00 0.00 C ATOM 1151 OE1 GLN A 99 0.667 -3.767 8.708 1.00 0.00 O ATOM 1152 NE2 GLN A 99 2.101 -5.435 8.289 1.00 0.00 N ATOM 0 H GLN A 99 3.217 -2.089 4.707 1.00 0.00 H new ATOM 0 HA GLN A 99 0.822 -2.855 6.251 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.202 -1.221 7.215 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.695 -1.397 8.091 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.607 -3.646 7.373 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.434 -2.911 8.954 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.043 -5.713 8.015 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.399 -6.146 8.492 1.00 0.00 H new ATOM 1161 N LEU A 100 -0.233 -0.638 5.922 1.00 0.00 N ATOM 1162 CA LEU A 100 -0.929 0.601 5.634 1.00 0.00 C ATOM 1163 C LEU A 100 -1.168 1.317 6.957 1.00 0.00 C ATOM 1164 O LEU A 100 -1.797 0.768 7.862 1.00 0.00 O ATOM 1165 CB LEU A 100 -2.249 0.287 4.899 1.00 0.00 C ATOM 1166 CG LEU A 100 -3.104 1.482 4.428 1.00 0.00 C ATOM 1167 CD1 LEU A 100 -3.912 2.085 5.567 1.00 0.00 C ATOM 1168 CD2 LEU A 100 -2.237 2.544 3.787 1.00 0.00 C ATOM 0 H LEU A 100 -0.800 -1.326 6.417 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.342 1.249 4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.011 -0.321 4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.863 -0.327 5.558 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.805 1.101 3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.500 2.923 5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.580 1.329 5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.236 2.436 6.347 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.861 3.377 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.504 2.901 4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.721 2.121 2.925 1.00 0.00 H new ATOM 1180 N LEU A 101 -0.658 2.531 7.076 1.00 0.00 N ATOM 1181 CA LEU A 101 -0.698 3.238 8.345 1.00 0.00 C ATOM 1182 C LEU A 101 -1.727 4.365 8.305 1.00 0.00 C ATOM 1183 O LEU A 101 -1.580 5.336 7.557 1.00 0.00 O ATOM 1184 CB LEU A 101 0.709 3.771 8.667 1.00 0.00 C ATOM 1185 CG LEU A 101 0.969 4.237 10.110 1.00 0.00 C ATOM 1186 CD1 LEU A 101 0.470 5.653 10.331 1.00 0.00 C ATOM 1187 CD2 LEU A 101 0.323 3.288 11.110 1.00 0.00 C ATOM 0 H LEU A 101 -0.214 3.045 6.315 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.005 2.553 9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.430 2.989 8.429 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.915 4.608 7.999 1.00 0.00 H new ATOM 0 HG LEU A 101 2.047 4.229 10.268 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.669 5.952 11.360 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.985 6.331 9.650 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.603 5.694 10.142 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.520 3.638 12.123 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.753 3.257 10.940 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.739 2.288 10.984 1.00 0.00 H new ATOM 1199 N SER A 102 -2.787 4.196 9.083 1.00 0.00 N ATOM 1200 CA SER A 102 -3.805 5.219 9.254 1.00 0.00 C ATOM 1201 C SER A 102 -3.696 5.867 10.638 1.00 0.00 C ATOM 1202 O SER A 102 -3.603 5.158 11.641 1.00 0.00 O ATOM 1203 CB SER A 102 -5.185 4.589 9.072 1.00 0.00 C ATOM 1204 OG SER A 102 -5.310 3.414 9.861 1.00 0.00 O ATOM 0 H SER A 102 -2.964 3.343 9.614 1.00 0.00 H new ATOM 0 HA SER A 102 -3.657 5.997 8.506 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.957 5.305 9.353 1.00 0.00 H new ATOM 0 HB3 SER A 102 -5.343 4.346 8.021 1.00 0.00 H new ATOM 0 HG SER A 102 -4.862 3.549 10.722 1.00 0.00 H new ATOM 1210 N PRO A 103 -3.692 7.207 10.730 1.00 0.00 N ATOM 1211 CA PRO A 103 -3.698 8.099 9.572 1.00 0.00 C ATOM 1212 C PRO A 103 -2.295 8.280 9.012 1.00 0.00 C ATOM 1213 O PRO A 103 -1.309 8.048 9.706 1.00 0.00 O ATOM 1214 CB PRO A 103 -4.214 9.410 10.159 1.00 0.00 C ATOM 1215 CG PRO A 103 -3.721 9.406 11.564 1.00 0.00 C ATOM 1216 CD PRO A 103 -3.686 7.963 11.998 1.00 0.00 C ATOM 0 HA PRO A 103 -4.300 7.723 8.745 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -3.834 10.269 9.607 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.302 9.462 10.120 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -2.730 9.855 11.629 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.379 9.990 12.208 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.796 7.745 12.588 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.548 7.711 12.616 1.00 0.00 H new ATOM 1224 N GLY A 104 -2.211 8.703 7.767 1.00 0.00 N ATOM 1225 CA GLY A 104 -0.928 8.796 7.107 1.00 0.00 C ATOM 1226 C GLY A 104 -0.064 9.920 7.641 1.00 0.00 C ATOM 1227 O GLY A 104 -0.560 10.875 8.241 1.00 0.00 O ATOM 0 H GLY A 104 -3.009 8.985 7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.397 7.851 7.223 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -1.086 8.943 6.039 1.00 0.00 H new ATOM 1231 N GLN A 105 1.227 9.799 7.404 1.00 0.00 N ATOM 1232 CA GLN A 105 2.189 10.811 7.789 1.00 0.00 C ATOM 1233 C GLN A 105 2.465 11.720 6.597 1.00 0.00 C ATOM 1234 O GLN A 105 2.638 12.929 6.744 1.00 0.00 O ATOM 1235 CB GLN A 105 3.488 10.146 8.261 1.00 0.00 C ATOM 1236 CG GLN A 105 4.580 11.130 8.662 1.00 0.00 C ATOM 1237 CD GLN A 105 5.919 10.455 8.904 1.00 0.00 C ATOM 1238 OE1 GLN A 105 6.975 11.052 8.695 1.00 0.00 O ATOM 1239 NE2 GLN A 105 5.890 9.209 9.343 1.00 0.00 N ATOM 0 H GLN A 105 1.640 8.992 6.937 1.00 0.00 H new ATOM 0 HA GLN A 105 1.786 11.405 8.609 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.265 9.501 9.111 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.866 9.505 7.464 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.692 11.880 7.879 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.275 11.656 9.566 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.996 8.746 9.505 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.762 8.710 9.520 1.00 0.00 H new ATOM 1248 N HIS A 106 2.475 11.124 5.410 1.00 0.00 N ATOM 1249 CA HIS A 106 2.730 11.860 4.176 1.00 0.00 C ATOM 1250 C HIS A 106 1.419 12.119 3.444 1.00 0.00 C ATOM 1251 O HIS A 106 1.401 12.693 2.353 1.00 0.00 O ATOM 1252 CB HIS A 106 3.671 11.076 3.257 1.00 0.00 C ATOM 1253 CG HIS A 106 4.917 10.587 3.926 1.00 0.00 C ATOM 1254 ND1 HIS A 106 5.136 9.258 4.213 1.00 0.00 N ATOM 1255 CD2 HIS A 106 6.018 11.248 4.351 1.00 0.00 C ATOM 1256 CE1 HIS A 106 6.315 9.120 4.786 1.00 0.00 C ATOM 1257 NE2 HIS A 106 6.871 10.312 4.880 1.00 0.00 N ATOM 0 H HIS A 106 2.308 10.127 5.275 1.00 0.00 H new ATOM 0 HA HIS A 106 3.201 12.807 4.439 1.00 0.00 H new ATOM 0 HB2 HIS A 106 3.132 10.221 2.848 1.00 0.00 H new ATOM 0 HB3 HIS A 106 3.949 11.710 2.415 1.00 0.00 H new ATOM 0 HD1 HIS A 106 4.486 8.498 4.013 1.00 0.00 H new ATOM 0 HD2 HIS A 106 6.193 12.312 4.286 1.00 0.00 H new ATOM 0 HE1 HIS A 106 6.751 8.190 5.121 1.00 0.00 H new ATOM 1266 N GLY A 107 0.332 11.672 4.049 1.00 0.00 N ATOM 1267 CA GLY A 107 -0.980 11.830 3.460 1.00 0.00 C ATOM 1268 C GLY A 107 -2.057 11.347 4.400 1.00 0.00 C ATOM 1269 O GLY A 107 -1.853 11.324 5.611 1.00 0.00 O ATOM 0 H GLY A 107 0.336 11.196 4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.149 12.879 3.216 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.032 11.273 2.525 1.00 0.00 H new ATOM 1273 N GLN A 108 -3.206 10.970 3.863 1.00 0.00 N ATOM 1274 CA GLN A 108 -4.269 10.418 4.690 1.00 0.00 C ATOM 1275 C GLN A 108 -3.944 8.993 5.108 1.00 0.00 C ATOM 1276 O GLN A 108 -4.367 8.537 6.169 1.00 0.00 O ATOM 1277 CB GLN A 108 -5.617 10.474 3.974 1.00 0.00 C ATOM 1278 CG GLN A 108 -6.091 11.891 3.696 1.00 0.00 C ATOM 1279 CD GLN A 108 -6.017 12.794 4.919 1.00 0.00 C ATOM 1280 OE1 GLN A 108 -5.823 14.001 4.795 1.00 0.00 O ATOM 1281 NE2 GLN A 108 -6.153 12.220 6.111 1.00 0.00 N ATOM 0 H GLN A 108 -3.426 11.034 2.869 1.00 0.00 H new ATOM 0 HA GLN A 108 -4.341 11.032 5.588 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -5.543 9.932 3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -6.364 9.961 4.579 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -5.486 12.320 2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -7.119 11.860 3.336 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -6.313 11.215 6.178 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -6.097 12.785 6.958 1.00 0.00 H new ATOM 1290 N VAL A 109 -3.190 8.300 4.264 1.00 0.00 N ATOM 1291 CA VAL A 109 -2.727 6.949 4.555 1.00 0.00 C ATOM 1292 C VAL A 109 -1.329 6.751 3.977 1.00 0.00 C ATOM 1293 O VAL A 109 -0.968 7.398 2.988 1.00 0.00 O ATOM 1294 CB VAL A 109 -3.671 5.868 3.975 1.00 0.00 C ATOM 1295 CG1 VAL A 109 -4.985 5.811 4.738 1.00 0.00 C ATOM 1296 CG2 VAL A 109 -3.925 6.114 2.494 1.00 0.00 C ATOM 0 H VAL A 109 -2.883 8.658 3.360 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.714 6.837 5.639 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.177 4.903 4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.624 5.042 4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -4.789 5.573 5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.485 6.777 4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.591 5.343 2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.387 7.092 2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -2.979 6.083 1.953 1.00 0.00 H new ATOM 1306 N ASP A 110 -0.539 5.887 4.596 1.00 0.00 N ATOM 1307 CA ASP A 110 0.805 5.602 4.100 1.00 0.00 C ATOM 1308 C ASP A 110 1.022 4.114 3.897 1.00 0.00 C ATOM 1309 O ASP A 110 0.694 3.302 4.761 1.00 0.00 O ATOM 1310 CB ASP A 110 1.875 6.150 5.045 1.00 0.00 C ATOM 1311 CG ASP A 110 2.334 7.535 4.652 1.00 0.00 C ATOM 1312 OD1 ASP A 110 3.139 7.655 3.707 1.00 0.00 O ATOM 1313 OD2 ASP A 110 1.897 8.512 5.281 1.00 0.00 O ATOM 0 H ASP A 110 -0.800 5.372 5.437 1.00 0.00 H new ATOM 0 HA ASP A 110 0.896 6.102 3.136 1.00 0.00 H new ATOM 0 HB2 ASP A 110 1.481 6.175 6.061 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.731 5.475 5.052 1.00 0.00 H new ATOM 1318 N ILE A 111 1.576 3.771 2.744 1.00 0.00 N ATOM 1319 CA ILE A 111 1.904 2.392 2.413 1.00 0.00 C ATOM 1320 C ILE A 111 3.414 2.222 2.344 1.00 0.00 C ATOM 1321 O ILE A 111 4.100 2.980 1.654 1.00 0.00 O ATOM 1322 CB ILE A 111 1.286 1.970 1.062 1.00 0.00 C ATOM 1323 CG1 ILE A 111 1.491 3.075 0.022 1.00 0.00 C ATOM 1324 CG2 ILE A 111 -0.189 1.642 1.220 1.00 0.00 C ATOM 1325 CD1 ILE A 111 0.924 2.754 -1.339 1.00 0.00 C ATOM 0 H ILE A 111 1.811 4.441 2.011 1.00 0.00 H new ATOM 0 HA ILE A 111 1.489 1.757 3.196 1.00 0.00 H new ATOM 0 HB ILE A 111 1.791 1.069 0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 111 1.031 3.993 0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 111 2.559 3.271 -0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -0.602 1.348 0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -0.306 0.823 1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -0.719 2.520 1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 111 1.111 3.587 -2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 111 1.401 1.855 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -0.150 2.588 -1.256 1.00 0.00 H new ATOM 1337 N PHE A 112 3.935 1.247 3.071 1.00 0.00 N ATOM 1338 CA PHE A 112 5.373 1.035 3.122 1.00 0.00 C ATOM 1339 C PHE A 112 5.723 -0.427 3.368 1.00 0.00 C ATOM 1340 O PHE A 112 4.892 -1.215 3.828 1.00 0.00 O ATOM 1341 CB PHE A 112 6.001 1.918 4.206 1.00 0.00 C ATOM 1342 CG PHE A 112 5.249 1.921 5.510 1.00 0.00 C ATOM 1343 CD1 PHE A 112 5.385 0.878 6.411 1.00 0.00 C ATOM 1344 CD2 PHE A 112 4.413 2.977 5.836 1.00 0.00 C ATOM 1345 CE1 PHE A 112 4.699 0.885 7.608 1.00 0.00 C ATOM 1346 CE2 PHE A 112 3.724 2.989 7.031 1.00 0.00 C ATOM 1347 CZ PHE A 112 3.868 1.943 7.920 1.00 0.00 C ATOM 0 H PHE A 112 3.388 0.593 3.631 1.00 0.00 H new ATOM 0 HA PHE A 112 5.780 1.312 2.150 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.021 1.580 4.388 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.065 2.941 3.834 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.036 0.049 6.174 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.300 3.800 5.146 1.00 0.00 H new ATOM 0 HE1 PHE A 112 4.812 0.064 8.300 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.072 3.816 7.271 1.00 0.00 H new ATOM 0 HZ PHE A 112 3.332 1.952 8.858 1.00 0.00 H new ATOM 1357 N SER A 113 6.960 -0.772 3.040 1.00 0.00 N ATOM 1358 CA SER A 113 7.502 -2.094 3.295 1.00 0.00 C ATOM 1359 C SER A 113 8.500 -2.026 4.448 1.00 0.00 C ATOM 1360 O SER A 113 9.197 -1.025 4.620 1.00 0.00 O ATOM 1361 CB SER A 113 8.181 -2.620 2.033 1.00 0.00 C ATOM 1362 OG SER A 113 8.977 -1.610 1.435 1.00 0.00 O ATOM 0 H SER A 113 7.617 -0.137 2.587 1.00 0.00 H new ATOM 0 HA SER A 113 6.695 -2.774 3.570 1.00 0.00 H new ATOM 0 HB2 SER A 113 8.802 -3.481 2.280 1.00 0.00 H new ATOM 0 HB3 SER A 113 7.427 -2.963 1.324 1.00 0.00 H new ATOM 0 HG SER A 113 8.396 -0.936 1.024 1.00 0.00 H new ATOM 1368 N LEU A 114 8.564 -3.089 5.232 1.00 0.00 N ATOM 1369 CA LEU A 114 9.382 -3.102 6.438 1.00 0.00 C ATOM 1370 C LEU A 114 10.806 -3.515 6.118 1.00 0.00 C ATOM 1371 O LEU A 114 11.725 -3.286 6.912 1.00 0.00 O ATOM 1372 CB LEU A 114 8.784 -4.047 7.480 1.00 0.00 C ATOM 1373 CG LEU A 114 7.581 -3.512 8.271 1.00 0.00 C ATOM 1374 CD1 LEU A 114 6.495 -2.977 7.351 1.00 0.00 C ATOM 1375 CD2 LEU A 114 7.017 -4.601 9.169 1.00 0.00 C ATOM 0 H LEU A 114 8.059 -3.957 5.056 1.00 0.00 H new ATOM 0 HA LEU A 114 9.398 -2.092 6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 114 8.482 -4.965 6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 114 9.568 -4.316 8.188 1.00 0.00 H new ATOM 0 HG LEU A 114 7.932 -2.683 8.886 1.00 0.00 H new ATOM 0 HD11 LEU A 114 5.661 -2.608 7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 114 6.898 -2.163 6.748 1.00 0.00 H new ATOM 0 HD13 LEU A 114 6.147 -3.776 6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.165 -4.209 9.724 1.00 0.00 H new ATOM 0 HD22 LEU A 114 6.696 -5.445 8.559 1.00 0.00 H new ATOM 0 HD23 LEU A 114 7.786 -4.930 9.868 1.00 0.00 H new ATOM 1387 N GLY A 115 10.964 -4.175 4.975 1.00 0.00 N ATOM 1388 CA GLY A 115 12.279 -4.440 4.446 1.00 0.00 C ATOM 1389 C GLY A 115 13.001 -5.565 5.155 1.00 0.00 C ATOM 1390 O GLY A 115 12.382 -6.401 5.817 1.00 0.00 O ATOM 0 H GLY A 115 10.196 -4.531 4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 115 12.193 -4.685 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 115 12.879 -3.533 4.516 1.00 0.00 H new ATOM 1394 N PRO A 116 14.331 -5.597 5.025 1.00 0.00 N ATOM 1395 CA PRO A 116 15.178 -6.645 5.601 1.00 0.00 C ATOM 1396 C PRO A 116 15.233 -6.573 7.121 1.00 0.00 C ATOM 1397 O PRO A 116 15.505 -7.565 7.794 1.00 0.00 O ATOM 1398 CB PRO A 116 16.567 -6.370 5.006 1.00 0.00 C ATOM 1399 CG PRO A 116 16.356 -5.362 3.922 1.00 0.00 C ATOM 1400 CD PRO A 116 15.120 -4.599 4.296 1.00 0.00 C ATOM 0 HA PRO A 116 14.795 -7.639 5.371 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.249 -5.989 5.766 1.00 0.00 H new ATOM 0 HB3 PRO A 116 17.010 -7.284 4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 116 17.214 -4.696 3.838 1.00 0.00 H new ATOM 0 HG3 PRO A 116 16.235 -5.850 2.955 1.00 0.00 H new ATOM 0 HD2 PRO A 116 15.351 -3.734 4.917 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.592 -4.229 3.417 1.00 0.00 H new ATOM 1408 N ASP A 117 14.970 -5.392 7.654 1.00 0.00 N ATOM 1409 CA ASP A 117 15.032 -5.167 9.093 1.00 0.00 C ATOM 1410 C ASP A 117 13.694 -5.444 9.758 1.00 0.00 C ATOM 1411 O ASP A 117 13.612 -5.563 10.983 1.00 0.00 O ATOM 1412 CB ASP A 117 15.446 -3.723 9.371 1.00 0.00 C ATOM 1413 CG ASP A 117 14.841 -2.757 8.371 1.00 0.00 C ATOM 1414 OD1 ASP A 117 15.620 -2.209 7.560 1.00 0.00 O ATOM 1415 OD2 ASP A 117 13.596 -2.587 8.364 1.00 0.00 O ATOM 0 H ASP A 117 14.710 -4.569 7.111 1.00 0.00 H new ATOM 0 HA ASP A 117 15.769 -5.855 9.508 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.136 -3.444 10.378 1.00 0.00 H new ATOM 0 HB3 ASP A 117 16.533 -3.645 9.339 1.00 0.00 H new ATOM 1420 N GLY A 118 12.650 -5.551 8.950 1.00 0.00 N ATOM 1421 CA GLY A 118 11.348 -5.911 9.469 1.00 0.00 C ATOM 1422 C GLY A 118 10.704 -4.802 10.281 1.00 0.00 C ATOM 1423 O GLY A 118 9.731 -5.044 10.994 1.00 0.00 O ATOM 0 H GLY A 118 12.682 -5.395 7.943 1.00 0.00 H new ATOM 0 HA2 GLY A 118 10.692 -6.173 8.639 1.00 0.00 H new ATOM 0 HA3 GLY A 118 11.445 -6.800 10.092 1.00 0.00 H new ATOM 1427 N VAL A 119 11.236 -3.586 10.191 1.00 0.00 N ATOM 1428 CA VAL A 119 10.716 -2.488 10.995 1.00 0.00 C ATOM 1429 C VAL A 119 10.007 -1.436 10.145 1.00 0.00 C ATOM 1430 O VAL A 119 10.570 -0.907 9.173 1.00 0.00 O ATOM 1431 CB VAL A 119 11.807 -1.822 11.870 1.00 0.00 C ATOM 1432 CG1 VAL A 119 12.360 -2.818 12.877 1.00 0.00 C ATOM 1433 CG2 VAL A 119 12.933 -1.244 11.025 1.00 0.00 C ATOM 0 H VAL A 119 12.014 -3.340 9.579 1.00 0.00 H new ATOM 0 HA VAL A 119 9.982 -2.937 11.664 1.00 0.00 H new ATOM 0 HB VAL A 119 11.339 -0.996 12.406 1.00 0.00 H new ATOM 0 HG11 VAL A 119 13.125 -2.335 13.484 1.00 0.00 H new ATOM 0 HG12 VAL A 119 11.554 -3.169 13.521 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.797 -3.665 12.348 1.00 0.00 H new ATOM 0 HG21 VAL A 119 13.678 -0.786 11.676 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.399 -2.041 10.445 1.00 0.00 H new ATOM 0 HG23 VAL A 119 12.530 -0.491 10.348 1.00 0.00 H new ATOM 1443 N PRO A 120 8.729 -1.169 10.485 1.00 0.00 N ATOM 1444 CA PRO A 120 7.923 -0.132 9.843 1.00 0.00 C ATOM 1445 C PRO A 120 8.271 1.264 10.352 1.00 0.00 C ATOM 1446 O PRO A 120 8.795 1.415 11.460 1.00 0.00 O ATOM 1447 CB PRO A 120 6.497 -0.505 10.240 1.00 0.00 C ATOM 1448 CG PRO A 120 6.636 -1.174 11.562 1.00 0.00 C ATOM 1449 CD PRO A 120 7.973 -1.871 11.546 1.00 0.00 C ATOM 0 HA PRO A 120 8.084 -0.091 8.766 1.00 0.00 H new ATOM 0 HB2 PRO A 120 5.861 0.378 10.308 1.00 0.00 H new ATOM 0 HB3 PRO A 120 6.042 -1.170 9.506 1.00 0.00 H new ATOM 0 HG2 PRO A 120 6.586 -0.447 12.373 1.00 0.00 H new ATOM 0 HG3 PRO A 120 5.828 -1.887 11.724 1.00 0.00 H new ATOM 0 HD2 PRO A 120 8.475 -1.795 12.511 1.00 0.00 H new ATOM 0 HD3 PRO A 120 7.867 -2.933 11.325 1.00 0.00 H new ATOM 1457 N GLU A 121 7.968 2.274 9.538 1.00 0.00 N ATOM 1458 CA GLU A 121 8.202 3.670 9.895 1.00 0.00 C ATOM 1459 C GLU A 121 9.701 3.909 10.062 1.00 0.00 C ATOM 1460 O GLU A 121 10.159 4.567 10.999 1.00 0.00 O ATOM 1461 CB GLU A 121 7.424 4.048 11.167 1.00 0.00 C ATOM 1462 CG GLU A 121 7.433 5.536 11.481 1.00 0.00 C ATOM 1463 CD GLU A 121 6.640 5.872 12.722 1.00 0.00 C ATOM 1464 OE1 GLU A 121 7.087 5.517 13.833 1.00 0.00 O ATOM 1465 OE2 GLU A 121 5.570 6.501 12.595 1.00 0.00 O ATOM 0 H GLU A 121 7.554 2.147 8.614 1.00 0.00 H new ATOM 0 HA GLU A 121 7.836 4.312 9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.391 3.716 11.060 1.00 0.00 H new ATOM 0 HB3 GLU A 121 7.847 3.506 12.013 1.00 0.00 H new ATOM 0 HG2 GLU A 121 8.462 5.870 11.610 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.024 6.085 10.633 1.00 0.00 H new ATOM 1472 N SER A 122 10.462 3.341 9.148 1.00 0.00 N ATOM 1473 CA SER A 122 11.903 3.471 9.154 1.00 0.00 C ATOM 1474 C SER A 122 12.398 4.110 7.856 1.00 0.00 C ATOM 1475 O SER A 122 11.599 4.398 6.961 1.00 0.00 O ATOM 1476 CB SER A 122 12.518 2.092 9.372 1.00 0.00 C ATOM 1477 OG SER A 122 11.724 1.093 8.753 1.00 0.00 O ATOM 0 H SER A 122 10.098 2.776 8.381 1.00 0.00 H new ATOM 0 HA SER A 122 12.211 4.130 9.966 1.00 0.00 H new ATOM 0 HB2 SER A 122 13.528 2.068 8.963 1.00 0.00 H new ATOM 0 HB3 SER A 122 12.602 1.889 10.440 1.00 0.00 H new ATOM 0 HG SER A 122 11.407 1.419 7.885 1.00 0.00 H new ATOM 1483 N ASN A 123 13.700 4.341 7.749 1.00 0.00 N ATOM 1484 CA ASN A 123 14.264 4.980 6.561 1.00 0.00 C ATOM 1485 C ASN A 123 14.282 4.021 5.376 1.00 0.00 C ATOM 1486 O ASN A 123 14.132 4.437 4.224 1.00 0.00 O ATOM 1487 CB ASN A 123 15.682 5.491 6.832 1.00 0.00 C ATOM 1488 CG ASN A 123 15.705 6.773 7.642 1.00 0.00 C ATOM 1489 OD1 ASN A 123 15.670 7.872 7.085 1.00 0.00 O ATOM 1490 ND2 ASN A 123 15.774 6.648 8.959 1.00 0.00 N ATOM 0 H ASN A 123 14.385 4.098 8.465 1.00 0.00 H new ATOM 0 HA ASN A 123 13.625 5.828 6.315 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.244 4.722 7.362 1.00 0.00 H new ATOM 0 HB3 ASN A 123 16.190 5.659 5.882 1.00 0.00 H new ATOM 0 HD21 ASN A 123 15.800 7.479 9.550 1.00 0.00 H new ATOM 0 HD22 ASN A 123 15.801 5.720 9.383 1.00 0.00 H new ATOM 1497 N ASP A 124 14.446 2.738 5.667 1.00 0.00 N ATOM 1498 CA ASP A 124 14.527 1.712 4.630 1.00 0.00 C ATOM 1499 C ASP A 124 13.194 1.560 3.918 1.00 0.00 C ATOM 1500 O ASP A 124 13.151 1.192 2.746 1.00 0.00 O ATOM 1501 CB ASP A 124 14.908 0.363 5.243 1.00 0.00 C ATOM 1502 CG ASP A 124 13.793 -0.199 6.101 1.00 0.00 C ATOM 1503 OD1 ASP A 124 13.011 -1.044 5.644 1.00 0.00 O ATOM 1504 OD2 ASP A 124 13.625 0.214 7.255 1.00 0.00 O ATOM 0 H ASP A 124 14.526 2.379 6.618 1.00 0.00 H new ATOM 0 HA ASP A 124 15.289 2.023 3.915 1.00 0.00 H new ATOM 0 HB2 ASP A 124 15.146 -0.343 4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 124 15.808 0.479 5.847 1.00 0.00 H new ATOM 1509 N ASP A 125 12.122 1.861 4.650 1.00 0.00 N ATOM 1510 CA ASP A 125 10.751 1.630 4.199 1.00 0.00 C ATOM 1511 C ASP A 125 10.524 2.124 2.775 1.00 0.00 C ATOM 1512 O ASP A 125 10.558 3.328 2.512 1.00 0.00 O ATOM 1513 CB ASP A 125 9.770 2.340 5.133 1.00 0.00 C ATOM 1514 CG ASP A 125 9.548 1.630 6.460 1.00 0.00 C ATOM 1515 OD1 ASP A 125 8.401 1.701 6.965 1.00 0.00 O ATOM 1516 OD2 ASP A 125 10.508 1.038 7.020 1.00 0.00 O ATOM 0 H ASP A 125 12.182 2.275 5.580 1.00 0.00 H new ATOM 0 HA ASP A 125 10.583 0.553 4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 125 10.137 3.347 5.330 1.00 0.00 H new ATOM 0 HB3 ASP A 125 8.812 2.444 4.624 1.00 0.00 H new ATOM 1521 N ILE A 126 10.307 1.190 1.857 1.00 0.00 N ATOM 1522 CA ILE A 126 9.988 1.546 0.487 1.00 0.00 C ATOM 1523 C ILE A 126 8.492 1.804 0.369 1.00 0.00 C ATOM 1524 O ILE A 126 7.685 0.873 0.409 1.00 0.00 O ATOM 1525 CB ILE A 126 10.387 0.453 -0.536 1.00 0.00 C ATOM 1526 CG1 ILE A 126 11.888 0.138 -0.478 1.00 0.00 C ATOM 1527 CG2 ILE A 126 9.997 0.877 -1.947 1.00 0.00 C ATOM 1528 CD1 ILE A 126 12.274 -0.850 0.602 1.00 0.00 C ATOM 0 H ILE A 126 10.347 0.187 2.038 1.00 0.00 H new ATOM 0 HA ILE A 126 10.566 2.440 0.251 1.00 0.00 H new ATOM 0 HB ILE A 126 9.845 -0.455 -0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 126 12.203 -0.256 -1.444 1.00 0.00 H new ATOM 0 HG13 ILE A 126 12.437 1.066 -0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 126 10.284 0.098 -2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 126 8.919 1.031 -1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 126 10.508 1.805 -2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 126 13.351 -1.017 0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 126 11.994 -0.451 1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 126 11.756 -1.794 0.433 1.00 0.00 H new ATOM 1540 N GLY A 127 8.130 3.068 0.254 1.00 0.00 N ATOM 1541 CA GLY A 127 6.739 3.432 0.134 1.00 0.00 C ATOM 1542 C GLY A 127 6.490 4.375 -1.020 1.00 0.00 C ATOM 1543 O GLY A 127 7.391 4.655 -1.812 1.00 0.00 O ATOM 0 H GLY A 127 8.780 3.854 0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 127 6.140 2.531 -0.000 1.00 0.00 H new ATOM 0 HA3 GLY A 127 6.407 3.900 1.061 1.00 0.00 H new ATOM 1547 N ASN A 128 5.270 4.882 -1.102 1.00 0.00 N ATOM 1548 CA ASN A 128 4.858 5.756 -2.197 1.00 0.00 C ATOM 1549 C ASN A 128 5.646 7.065 -2.203 1.00 0.00 C ATOM 1550 O ASN A 128 6.022 7.573 -3.262 1.00 0.00 O ATOM 1551 CB ASN A 128 3.350 6.053 -2.113 1.00 0.00 C ATOM 1552 CG ASN A 128 2.932 6.689 -0.793 1.00 0.00 C ATOM 1553 OD1 ASN A 128 3.499 6.403 0.262 1.00 0.00 O ATOM 1554 ND2 ASN A 128 1.938 7.560 -0.842 1.00 0.00 N ATOM 0 H ASN A 128 4.537 4.702 -0.416 1.00 0.00 H new ATOM 0 HA ASN A 128 5.070 5.231 -3.128 1.00 0.00 H new ATOM 0 HB2 ASN A 128 3.072 6.716 -2.932 1.00 0.00 H new ATOM 0 HB3 ASN A 128 2.796 5.125 -2.252 1.00 0.00 H new ATOM 0 HD21 ASN A 128 1.619 8.018 0.012 1.00 0.00 H new ATOM 0 HD22 ASN A 128 1.491 7.774 -1.733 1.00 0.00 H new ATOM 1561 N TRP A 129 5.928 7.585 -1.019 1.00 0.00 N ATOM 1562 CA TRP A 129 6.556 8.891 -0.887 1.00 0.00 C ATOM 1563 C TRP A 129 8.051 8.826 -1.182 1.00 0.00 C ATOM 1564 O TRP A 129 8.674 9.843 -1.489 1.00 0.00 O ATOM 1565 CB TRP A 129 6.306 9.444 0.519 1.00 0.00 C ATOM 1566 CG TRP A 129 6.760 10.858 0.712 1.00 0.00 C ATOM 1567 CD1 TRP A 129 6.124 11.985 0.283 1.00 0.00 C ATOM 1568 CD2 TRP A 129 7.942 11.298 1.394 1.00 0.00 C ATOM 1569 NE1 TRP A 129 6.839 13.099 0.651 1.00 0.00 N ATOM 1570 CE2 TRP A 129 7.957 12.703 1.335 1.00 0.00 C ATOM 1571 CE3 TRP A 129 8.987 10.640 2.049 1.00 0.00 C ATOM 1572 CZ2 TRP A 129 8.976 13.463 1.905 1.00 0.00 C ATOM 1573 CZ3 TRP A 129 9.998 11.394 2.614 1.00 0.00 C ATOM 1574 CH2 TRP A 129 9.985 12.792 2.540 1.00 0.00 C ATOM 0 H TRP A 129 5.731 7.121 -0.132 1.00 0.00 H new ATOM 0 HA TRP A 129 6.110 9.562 -1.621 1.00 0.00 H new ATOM 0 HB2 TRP A 129 5.240 9.384 0.737 1.00 0.00 H new ATOM 0 HB3 TRP A 129 6.816 8.808 1.243 1.00 0.00 H new ATOM 0 HD1 TRP A 129 5.194 12.000 -0.266 1.00 0.00 H new ATOM 0 HE1 TRP A 129 6.579 14.064 0.448 1.00 0.00 H new ATOM 0 HE3 TRP A 129 9.004 9.562 2.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 8.970 14.541 1.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 10.812 10.897 3.121 1.00 0.00 H new ATOM 0 HH2 TRP A 129 10.789 13.353 2.994 1.00 0.00 H new ATOM 1585 N THR A 130 8.630 7.640 -1.106 1.00 0.00 N ATOM 1586 CA THR A 130 10.052 7.499 -1.362 1.00 0.00 C ATOM 1587 C THR A 130 10.319 7.257 -2.850 1.00 0.00 C ATOM 1588 O THR A 130 11.417 7.522 -3.340 1.00 0.00 O ATOM 1589 CB THR A 130 10.682 6.367 -0.515 1.00 0.00 C ATOM 1590 OG1 THR A 130 12.100 6.546 -0.425 1.00 0.00 O ATOM 1591 CG2 THR A 130 10.397 4.998 -1.110 1.00 0.00 C ATOM 0 H THR A 130 8.146 6.773 -0.873 1.00 0.00 H new ATOM 0 HA THR A 130 10.523 8.437 -1.068 1.00 0.00 H new ATOM 0 HB THR A 130 10.234 6.417 0.477 1.00 0.00 H new ATOM 0 HG1 THR A 130 12.487 5.825 0.114 1.00 0.00 H new ATOM 0 HG21 THR A 130 10.855 4.229 -0.488 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.320 4.837 -1.152 1.00 0.00 H new ATOM 0 HG23 THR A 130 10.812 4.945 -2.117 1.00 0.00 H new ATOM 1599 N ILE A 131 9.316 6.764 -3.577 1.00 0.00 N ATOM 1600 CA ILE A 131 9.496 6.492 -4.999 1.00 0.00 C ATOM 1601 C ILE A 131 9.074 7.684 -5.861 1.00 0.00 C ATOM 1602 O ILE A 131 9.773 8.041 -6.814 1.00 0.00 O ATOM 1603 CB ILE A 131 8.753 5.213 -5.474 1.00 0.00 C ATOM 1604 CG1 ILE A 131 8.891 5.071 -6.995 1.00 0.00 C ATOM 1605 CG2 ILE A 131 7.288 5.245 -5.064 1.00 0.00 C ATOM 1606 CD1 ILE A 131 8.180 3.868 -7.565 1.00 0.00 C ATOM 0 H ILE A 131 8.388 6.549 -3.212 1.00 0.00 H new ATOM 0 HA ILE A 131 10.564 6.319 -5.128 1.00 0.00 H new ATOM 0 HB ILE A 131 9.208 4.346 -4.994 1.00 0.00 H new ATOM 0 HG12 ILE A 131 8.500 5.971 -7.471 1.00 0.00 H new ATOM 0 HG13 ILE A 131 9.949 5.010 -7.250 1.00 0.00 H new ATOM 0 HG21 ILE A 131 6.793 4.337 -5.410 1.00 0.00 H new ATOM 0 HG22 ILE A 131 7.215 5.307 -3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 131 6.804 6.114 -5.510 1.00 0.00 H new ATOM 0 HD11 ILE A 131 8.325 3.838 -8.645 1.00 0.00 H new ATOM 0 HD12 ILE A 131 8.586 2.960 -7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 131 7.115 3.936 -7.343 1.00 0.00 H new ATOM 1618 N GLY A 132 7.948 8.307 -5.531 1.00 0.00 N ATOM 1619 CA GLY A 132 7.475 9.425 -6.326 1.00 0.00 C ATOM 1620 C GLY A 132 5.964 9.503 -6.402 1.00 0.00 C ATOM 1621 O GLY A 132 5.410 10.551 -6.734 1.00 0.00 O ATOM 0 H GLY A 132 7.359 8.061 -4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 132 7.860 10.353 -5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 132 7.880 9.343 -7.335 1.00 0.00 H new