USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 569 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 16 TYR OH : rot 180:sc= -0.468 USER MOD Set 1.2: A 42 LYS NZ :NH3+ -105:sc= 1.2 (180deg=0.0769) USER MOD Set 2.1: A 3 GLN : amide:sc= -2.28 K(o=-1.1,f=-7.4) USER MOD Set 2.2: A 6 SER OG : rot 148:sc= 1.23 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -120:sc= -2.21 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 147:sc= 1.29 USER MOD Single : A 33 LYS NZ :NH3+ -103:sc= -0.0361 (180deg=-0.439) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.73! C(o=-1.7!,f=-17!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.837 X(o=-0.84,f=-0.47) USER MOD Single : A 57 THR OG1 : rot 43:sc= 0.0942 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.573 F(o=-2.4,f=-0.57) USER MOD Single : A 59 ASN : amide:sc= -1.6 K(o=-1.6,f=-5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -113:sc= -0.0053 (180deg=-0.245) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.453 6.928 -4.389 1.00 0.00 N ATOM 2 CA MET A 1 -7.096 7.763 -3.206 1.00 0.00 C ATOM 3 C MET A 1 -7.179 6.928 -1.925 1.00 0.00 C ATOM 4 O MET A 1 -8.167 6.964 -1.217 1.00 0.00 O ATOM 5 CB MET A 1 -8.134 8.884 -3.185 1.00 0.00 C ATOM 6 CG MET A 1 -7.514 10.144 -2.578 1.00 0.00 C ATOM 7 SD MET A 1 -6.710 11.109 -3.882 1.00 0.00 S ATOM 8 CE MET A 1 -5.512 11.962 -2.828 1.00 0.00 C ATOM 0 H1 MET A 1 -7.393 7.505 -5.252 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.793 6.128 -4.461 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.423 6.568 -4.280 1.00 0.00 H new ATOM 0 HA MET A 1 -6.079 8.151 -3.266 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.483 9.089 -4.197 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.004 8.578 -2.604 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.284 10.742 -2.090 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.788 9.872 -1.812 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.897 12.624 -3.438 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.041 12.548 -2.076 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.875 11.228 -2.334 1.00 0.00 H new ATOM 20 N VAL A 2 -6.140 6.194 -1.618 1.00 0.00 N ATOM 21 CA VAL A 2 -6.142 5.370 -0.369 1.00 0.00 C ATOM 22 C VAL A 2 -6.287 6.271 0.862 1.00 0.00 C ATOM 23 O VAL A 2 -6.628 7.433 0.753 1.00 0.00 O ATOM 24 CB VAL A 2 -4.792 4.641 -0.356 1.00 0.00 C ATOM 25 CG1 VAL A 2 -4.685 3.745 -1.590 1.00 0.00 C ATOM 26 CG2 VAL A 2 -3.645 5.661 -0.367 1.00 0.00 C ATOM 0 H VAL A 2 -5.290 6.129 -2.178 1.00 0.00 H new ATOM 0 HA VAL A 2 -6.975 4.667 -0.345 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.723 4.034 0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.726 3.227 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -5.493 3.013 -1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.760 4.355 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.690 5.135 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.712 6.275 -1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.717 6.299 0.514 1.00 0.00 H new ATOM 36 N GLN A 3 -6.010 5.744 2.029 1.00 0.00 N ATOM 37 CA GLN A 3 -6.106 6.568 3.271 1.00 0.00 C ATOM 38 C GLN A 3 -4.948 6.237 4.215 1.00 0.00 C ATOM 39 O GLN A 3 -4.303 5.214 4.084 1.00 0.00 O ATOM 40 CB GLN A 3 -7.442 6.177 3.902 1.00 0.00 C ATOM 41 CG GLN A 3 -8.585 6.544 2.953 1.00 0.00 C ATOM 42 CD GLN A 3 -8.904 5.350 2.052 1.00 0.00 C ATOM 43 OE1 GLN A 3 -9.033 4.237 2.522 1.00 0.00 O ATOM 44 NE2 GLN A 3 -9.038 5.534 0.767 1.00 0.00 N ATOM 0 H GLN A 3 -5.721 4.777 2.174 1.00 0.00 H new ATOM 0 HA GLN A 3 -6.051 7.637 3.064 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.458 5.107 4.110 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.569 6.689 4.856 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -9.469 6.828 3.524 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -8.306 7.406 2.347 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -8.930 6.468 0.372 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -9.251 4.744 0.158 1.00 0.00 H new ATOM 53 N ARG A 4 -4.724 7.066 5.203 1.00 0.00 N ATOM 54 CA ARG A 4 -3.655 6.773 6.206 1.00 0.00 C ATOM 55 C ARG A 4 -4.088 5.619 7.115 1.00 0.00 C ATOM 56 O ARG A 4 -4.763 5.821 8.107 1.00 0.00 O ATOM 57 CB ARG A 4 -3.496 8.062 7.014 1.00 0.00 C ATOM 58 CG ARG A 4 -2.448 8.956 6.349 1.00 0.00 C ATOM 59 CD ARG A 4 -1.689 9.740 7.423 1.00 0.00 C ATOM 60 NE ARG A 4 -2.611 10.850 7.819 1.00 0.00 N ATOM 61 CZ ARG A 4 -2.482 11.471 8.975 1.00 0.00 C ATOM 62 NH1 ARG A 4 -1.513 11.175 9.811 1.00 0.00 N ATOM 63 NH2 ARG A 4 -3.337 12.404 9.295 1.00 0.00 N ATOM 0 H ARG A 4 -5.236 7.934 5.359 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.719 6.474 5.734 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.450 8.586 7.075 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.195 7.829 8.035 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -1.754 8.350 5.768 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.930 9.644 5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.446 9.106 8.276 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.747 10.129 7.036 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.355 11.132 7.181 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.837 10.449 9.572 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -1.436 11.671 10.699 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.093 12.645 8.654 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.249 12.892 10.186 1.00 0.00 H new ATOM 77 N GLY A 5 -3.714 4.412 6.774 1.00 0.00 N ATOM 78 CA GLY A 5 -4.112 3.236 7.601 1.00 0.00 C ATOM 79 C GLY A 5 -5.131 2.393 6.834 1.00 0.00 C ATOM 80 O GLY A 5 -5.960 1.722 7.420 1.00 0.00 O ATOM 0 H GLY A 5 -3.148 4.191 5.955 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.235 2.635 7.843 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.539 3.571 8.546 1.00 0.00 H new ATOM 84 N SER A 6 -5.051 2.392 5.527 1.00 0.00 N ATOM 85 CA SER A 6 -5.986 1.560 4.712 1.00 0.00 C ATOM 86 C SER A 6 -5.311 0.245 4.312 1.00 0.00 C ATOM 87 O SER A 6 -4.256 -0.097 4.813 1.00 0.00 O ATOM 88 CB SER A 6 -6.292 2.403 3.476 1.00 0.00 C ATOM 89 OG SER A 6 -7.640 2.182 3.080 1.00 0.00 O ATOM 0 H SER A 6 -4.375 2.934 4.988 1.00 0.00 H new ATOM 0 HA SER A 6 -6.891 1.299 5.260 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.133 3.459 3.693 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.614 2.139 2.664 1.00 0.00 H new ATOM 0 HG SER A 6 -8.003 3.002 2.684 1.00 0.00 H new ATOM 95 N LYS A 7 -5.903 -0.481 3.399 1.00 0.00 N ATOM 96 CA LYS A 7 -5.293 -1.765 2.941 1.00 0.00 C ATOM 97 C LYS A 7 -5.370 -1.874 1.416 1.00 0.00 C ATOM 98 O LYS A 7 -6.439 -2.004 0.849 1.00 0.00 O ATOM 99 CB LYS A 7 -6.131 -2.860 3.600 1.00 0.00 C ATOM 100 CG LYS A 7 -5.529 -3.214 4.962 1.00 0.00 C ATOM 101 CD LYS A 7 -6.217 -2.392 6.054 1.00 0.00 C ATOM 102 CE LYS A 7 -6.095 -3.119 7.394 1.00 0.00 C ATOM 103 NZ LYS A 7 -6.717 -2.200 8.388 1.00 0.00 N ATOM 0 H LYS A 7 -6.786 -0.239 2.949 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.240 -1.840 3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.160 -2.521 3.722 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.160 -3.744 2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.653 -4.278 5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.458 -3.013 4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.761 -1.404 6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.267 -2.242 5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.608 -4.080 7.370 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.053 -3.320 7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.672 -2.630 9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.203 -1.296 8.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.711 -2.032 8.131 1.00 0.00 H new ATOM 117 N VAL A 8 -4.241 -1.855 0.753 1.00 0.00 N ATOM 118 CA VAL A 8 -4.237 -1.997 -0.735 1.00 0.00 C ATOM 119 C VAL A 8 -3.334 -3.162 -1.155 1.00 0.00 C ATOM 120 O VAL A 8 -2.424 -3.540 -0.441 1.00 0.00 O ATOM 121 CB VAL A 8 -3.690 -0.667 -1.266 1.00 0.00 C ATOM 122 CG1 VAL A 8 -4.623 0.471 -0.846 1.00 0.00 C ATOM 123 CG2 VAL A 8 -2.290 -0.409 -0.696 1.00 0.00 C ATOM 0 H VAL A 8 -3.320 -1.747 1.179 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.230 -2.210 -1.130 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.631 -0.716 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.235 1.417 -1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.617 0.297 -1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.682 0.511 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.910 0.538 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.342 -0.366 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.621 -1.216 -0.995 1.00 0.00 H new ATOM 133 N ARG A 9 -3.550 -3.696 -2.331 1.00 0.00 N ATOM 134 CA ARG A 9 -2.673 -4.796 -2.833 1.00 0.00 C ATOM 135 C ARG A 9 -1.346 -4.225 -3.338 1.00 0.00 C ATOM 136 O ARG A 9 -1.302 -3.153 -3.912 1.00 0.00 O ATOM 137 CB ARG A 9 -3.453 -5.436 -3.982 1.00 0.00 C ATOM 138 CG ARG A 9 -4.331 -6.566 -3.438 1.00 0.00 C ATOM 139 CD ARG A 9 -3.577 -7.895 -3.540 1.00 0.00 C ATOM 140 NE ARG A 9 -4.604 -8.888 -3.978 1.00 0.00 N ATOM 141 CZ ARG A 9 -5.547 -9.310 -3.159 1.00 0.00 C ATOM 142 NH1 ARG A 9 -5.600 -8.912 -1.908 1.00 0.00 N ATOM 143 NH2 ARG A 9 -6.447 -10.145 -3.600 1.00 0.00 N ATOM 0 H ARG A 9 -4.298 -3.416 -2.966 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.432 -5.519 -2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.071 -4.687 -4.477 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.763 -5.826 -4.731 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.598 -6.366 -2.400 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.262 -6.620 -4.002 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.759 -7.831 -4.257 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.140 -8.176 -2.582 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.575 -9.247 -4.932 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.901 -8.261 -1.550 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.340 -9.254 -1.295 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.416 -10.464 -4.568 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.182 -10.479 -2.976 1.00 0.00 H new ATOM 157 N ILE A 10 -0.272 -4.952 -3.160 1.00 0.00 N ATOM 158 CA ILE A 10 1.053 -4.479 -3.664 1.00 0.00 C ATOM 159 C ILE A 10 1.279 -4.979 -5.095 1.00 0.00 C ATOM 160 O ILE A 10 1.303 -6.170 -5.347 1.00 0.00 O ATOM 161 CB ILE A 10 2.088 -5.087 -2.708 1.00 0.00 C ATOM 162 CG1 ILE A 10 1.806 -4.627 -1.265 1.00 0.00 C ATOM 163 CG2 ILE A 10 3.501 -4.652 -3.123 1.00 0.00 C ATOM 164 CD1 ILE A 10 1.867 -3.098 -1.170 1.00 0.00 C ATOM 0 H ILE A 10 -0.256 -5.855 -2.686 1.00 0.00 H new ATOM 0 HA ILE A 10 1.121 -3.391 -3.692 1.00 0.00 H new ATOM 0 HB ILE A 10 2.018 -6.174 -2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.823 -4.978 -0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.535 -5.069 -0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.231 -5.087 -2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.704 -4.995 -4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.573 -3.565 -3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.666 -2.789 -0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.859 -2.754 -1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.120 -2.662 -1.834 1.00 0.00 H new ATOM 176 N LEU A 11 1.449 -4.077 -6.028 1.00 0.00 N ATOM 177 CA LEU A 11 1.680 -4.491 -7.444 1.00 0.00 C ATOM 178 C LEU A 11 3.170 -4.397 -7.784 1.00 0.00 C ATOM 179 O LEU A 11 3.541 -4.039 -8.887 1.00 0.00 O ATOM 180 CB LEU A 11 0.872 -3.495 -8.286 1.00 0.00 C ATOM 181 CG LEU A 11 -0.590 -3.953 -8.410 1.00 0.00 C ATOM 182 CD1 LEU A 11 -0.653 -5.314 -9.109 1.00 0.00 C ATOM 183 CD2 LEU A 11 -1.222 -4.062 -7.019 1.00 0.00 C ATOM 0 H LEU A 11 1.438 -3.070 -5.869 1.00 0.00 H new ATOM 0 HA LEU A 11 1.376 -5.521 -7.629 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.912 -2.507 -7.828 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.316 -3.405 -9.277 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.141 -3.220 -8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.692 -5.632 -9.193 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.217 -5.232 -10.105 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.095 -6.048 -8.527 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.258 -4.387 -7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.668 -4.787 -6.423 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.191 -3.089 -6.528 1.00 0.00 H new ATOM 195 N ARG A 12 4.021 -4.752 -6.856 1.00 0.00 N ATOM 196 CA ARG A 12 5.490 -4.724 -7.128 1.00 0.00 C ATOM 197 C ARG A 12 6.066 -6.148 -7.070 1.00 0.00 C ATOM 198 O ARG A 12 6.564 -6.564 -6.042 1.00 0.00 O ATOM 199 CB ARG A 12 6.082 -3.859 -6.014 1.00 0.00 C ATOM 200 CG ARG A 12 7.374 -3.205 -6.507 1.00 0.00 C ATOM 201 CD ARG A 12 7.561 -1.854 -5.811 1.00 0.00 C ATOM 202 NE ARG A 12 9.024 -1.770 -5.506 1.00 0.00 N ATOM 203 CZ ARG A 12 9.493 -0.905 -4.626 1.00 0.00 C ATOM 204 NH1 ARG A 12 8.696 -0.110 -3.949 1.00 0.00 N ATOM 205 NH2 ARG A 12 10.781 -0.839 -4.424 1.00 0.00 N ATOM 0 H ARG A 12 3.761 -5.061 -5.919 1.00 0.00 H new ATOM 0 HA ARG A 12 5.721 -4.328 -8.117 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.366 -3.094 -5.714 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.284 -4.469 -5.134 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.225 -3.854 -6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.335 -3.067 -7.588 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.245 -1.033 -6.454 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.965 -1.794 -4.901 1.00 0.00 H new ATOM 0 HE ARG A 12 9.672 -2.394 -5.988 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.688 -0.152 -4.097 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.085 0.549 -3.275 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.411 -1.451 -4.943 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.158 -0.175 -3.747 1.00 0.00 H new ATOM 219 N PRO A 13 5.984 -6.861 -8.177 1.00 0.00 N ATOM 220 CA PRO A 13 6.513 -8.256 -8.229 1.00 0.00 C ATOM 221 C PRO A 13 7.969 -8.311 -7.747 1.00 0.00 C ATOM 222 O PRO A 13 8.417 -9.311 -7.218 1.00 0.00 O ATOM 223 CB PRO A 13 6.425 -8.619 -9.710 1.00 0.00 C ATOM 224 CG PRO A 13 5.354 -7.735 -10.261 1.00 0.00 C ATOM 225 CD PRO A 13 5.400 -6.456 -9.469 1.00 0.00 C ATOM 0 HA PRO A 13 5.958 -8.940 -7.587 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.376 -8.449 -10.215 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.176 -9.672 -9.844 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.520 -7.540 -11.321 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.377 -8.210 -10.173 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.010 -5.701 -9.964 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.405 -6.029 -9.342 1.00 0.00 H new ATOM 233 N GLU A 14 8.688 -7.225 -7.879 1.00 0.00 N ATOM 234 CA GLU A 14 10.095 -7.187 -7.376 1.00 0.00 C ATOM 235 C GLU A 14 10.111 -7.136 -5.846 1.00 0.00 C ATOM 236 O GLU A 14 11.058 -7.565 -5.213 1.00 0.00 O ATOM 237 CB GLU A 14 10.696 -5.907 -7.961 1.00 0.00 C ATOM 238 CG GLU A 14 12.208 -6.077 -8.117 1.00 0.00 C ATOM 239 CD GLU A 14 12.912 -5.566 -6.858 1.00 0.00 C ATOM 240 OE1 GLU A 14 12.746 -4.400 -6.542 1.00 0.00 O ATOM 241 OE2 GLU A 14 13.606 -6.351 -6.231 1.00 0.00 O ATOM 0 H GLU A 14 8.361 -6.362 -8.314 1.00 0.00 H new ATOM 0 HA GLU A 14 10.659 -8.072 -7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.242 -5.689 -8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.480 -5.060 -7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.451 -7.127 -8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.558 -5.527 -8.991 1.00 0.00 H new ATOM 248 N SER A 15 9.076 -6.599 -5.249 1.00 0.00 N ATOM 249 CA SER A 15 9.033 -6.498 -3.758 1.00 0.00 C ATOM 250 C SER A 15 8.680 -7.857 -3.145 1.00 0.00 C ATOM 251 O SER A 15 7.815 -8.560 -3.632 1.00 0.00 O ATOM 252 CB SER A 15 7.940 -5.474 -3.456 1.00 0.00 C ATOM 253 OG SER A 15 8.275 -4.235 -4.065 1.00 0.00 O ATOM 0 H SER A 15 8.258 -6.226 -5.731 1.00 0.00 H new ATOM 0 HA SER A 15 9.994 -6.200 -3.339 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.980 -5.829 -3.831 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.834 -5.346 -2.379 1.00 0.00 H new ATOM 0 HG SER A 15 8.352 -3.542 -3.376 1.00 0.00 H new ATOM 259 N TYR A 16 9.289 -8.189 -2.034 1.00 0.00 N ATOM 260 CA TYR A 16 8.930 -9.458 -1.326 1.00 0.00 C ATOM 261 C TYR A 16 7.445 -9.455 -0.940 1.00 0.00 C ATOM 262 O TYR A 16 6.854 -10.496 -0.720 1.00 0.00 O ATOM 263 CB TYR A 16 9.810 -9.482 -0.072 1.00 0.00 C ATOM 264 CG TYR A 16 9.581 -10.768 0.687 1.00 0.00 C ATOM 265 CD1 TYR A 16 8.441 -10.915 1.487 1.00 0.00 C ATOM 266 CD2 TYR A 16 10.507 -11.814 0.590 1.00 0.00 C ATOM 267 CE1 TYR A 16 8.227 -12.106 2.190 1.00 0.00 C ATOM 268 CE2 TYR A 16 10.293 -13.005 1.293 1.00 0.00 C ATOM 269 CZ TYR A 16 9.154 -13.152 2.094 1.00 0.00 C ATOM 270 OH TYR A 16 8.944 -14.325 2.787 1.00 0.00 O ATOM 0 H TYR A 16 10.020 -7.636 -1.586 1.00 0.00 H new ATOM 0 HA TYR A 16 9.091 -10.335 -1.953 1.00 0.00 H new ATOM 0 HB2 TYR A 16 10.860 -9.395 -0.351 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.578 -8.627 0.563 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.726 -10.109 1.561 1.00 0.00 H new ATOM 0 HD2 TYR A 16 11.386 -11.702 -0.027 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.347 -12.219 2.806 1.00 0.00 H new ATOM 0 HE2 TYR A 16 11.007 -13.812 1.218 1.00 0.00 H new ATOM 0 HH TYR A 16 9.681 -14.946 2.609 1.00 0.00 H new ATOM 280 N TRP A 17 6.867 -8.292 -0.774 1.00 0.00 N ATOM 281 CA TRP A 17 5.450 -8.215 -0.306 1.00 0.00 C ATOM 282 C TRP A 17 4.503 -8.059 -1.499 1.00 0.00 C ATOM 283 O TRP A 17 3.467 -7.430 -1.398 1.00 0.00 O ATOM 284 CB TRP A 17 5.393 -6.975 0.589 1.00 0.00 C ATOM 285 CG TRP A 17 6.291 -7.167 1.769 1.00 0.00 C ATOM 286 CD1 TRP A 17 6.045 -8.003 2.804 1.00 0.00 C ATOM 287 CD2 TRP A 17 7.570 -6.530 2.053 1.00 0.00 C ATOM 288 NE1 TRP A 17 7.092 -7.918 3.706 1.00 0.00 N ATOM 289 CE2 TRP A 17 8.056 -7.023 3.286 1.00 0.00 C ATOM 290 CE3 TRP A 17 8.348 -5.580 1.365 1.00 0.00 C ATOM 291 CZ2 TRP A 17 9.271 -6.590 3.820 1.00 0.00 C ATOM 292 CZ3 TRP A 17 9.571 -5.142 1.899 1.00 0.00 C ATOM 293 CH2 TRP A 17 10.031 -5.646 3.124 1.00 0.00 C ATOM 0 H TRP A 17 7.316 -7.392 -0.943 1.00 0.00 H new ATOM 0 HA TRP A 17 5.144 -9.116 0.225 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.699 -6.093 0.026 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.370 -6.801 0.922 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.174 -8.633 2.909 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.145 -8.451 4.574 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.002 -5.186 0.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.621 -6.982 4.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.160 -4.413 1.363 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.972 -5.305 3.529 1.00 0.00 H new ATOM 304 N PHE A 18 4.812 -8.700 -2.599 1.00 0.00 N ATOM 305 CA PHE A 18 3.884 -8.673 -3.771 1.00 0.00 C ATOM 306 C PHE A 18 2.646 -9.527 -3.485 1.00 0.00 C ATOM 307 O PHE A 18 2.663 -10.395 -2.634 1.00 0.00 O ATOM 308 CB PHE A 18 4.687 -9.265 -4.931 1.00 0.00 C ATOM 309 CG PHE A 18 3.872 -9.182 -6.200 1.00 0.00 C ATOM 310 CD1 PHE A 18 3.547 -7.933 -6.742 1.00 0.00 C ATOM 311 CD2 PHE A 18 3.444 -10.354 -6.836 1.00 0.00 C ATOM 312 CE1 PHE A 18 2.793 -7.856 -7.919 1.00 0.00 C ATOM 313 CE2 PHE A 18 2.690 -10.276 -8.012 1.00 0.00 C ATOM 314 CZ PHE A 18 2.364 -9.027 -8.554 1.00 0.00 C ATOM 0 H PHE A 18 5.666 -9.240 -2.736 1.00 0.00 H new ATOM 0 HA PHE A 18 3.532 -7.666 -3.993 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.625 -8.723 -5.052 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.944 -10.303 -4.718 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.878 -7.029 -6.252 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.696 -11.318 -6.419 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.542 -6.892 -8.337 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.359 -11.180 -8.502 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.782 -8.967 -9.462 1.00 0.00 H new ATOM 324 N GLN A 19 1.577 -9.304 -4.213 1.00 0.00 N ATOM 325 CA GLN A 19 0.330 -10.117 -4.020 1.00 0.00 C ATOM 326 C GLN A 19 -0.102 -10.113 -2.548 1.00 0.00 C ATOM 327 O GLN A 19 -0.757 -11.026 -2.083 1.00 0.00 O ATOM 328 CB GLN A 19 0.695 -11.536 -4.469 1.00 0.00 C ATOM 329 CG GLN A 19 -0.508 -12.179 -5.159 1.00 0.00 C ATOM 330 CD GLN A 19 -0.212 -13.655 -5.434 1.00 0.00 C ATOM 331 OE1 GLN A 19 -0.404 -14.494 -4.577 1.00 0.00 O ATOM 332 NE2 GLN A 19 0.251 -14.009 -6.601 1.00 0.00 N ATOM 0 H GLN A 19 1.513 -8.589 -4.938 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.506 -9.712 -4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.545 -11.506 -5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.997 -12.134 -3.609 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.393 -12.086 -4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.724 -11.661 -6.093 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.412 -13.305 -7.321 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.452 -14.990 -6.794 1.00 0.00 H new ATOM 341 N ASP A 20 0.242 -9.078 -1.824 1.00 0.00 N ATOM 342 CA ASP A 20 -0.166 -8.990 -0.390 1.00 0.00 C ATOM 343 C ASP A 20 -0.819 -7.635 -0.108 1.00 0.00 C ATOM 344 O ASP A 20 -0.626 -6.680 -0.838 1.00 0.00 O ATOM 345 CB ASP A 20 1.134 -9.134 0.401 1.00 0.00 C ATOM 346 CG ASP A 20 1.377 -10.611 0.721 1.00 0.00 C ATOM 347 OD1 ASP A 20 0.419 -11.289 1.052 1.00 0.00 O ATOM 348 OD2 ASP A 20 2.516 -11.037 0.631 1.00 0.00 O ATOM 0 H ASP A 20 0.789 -8.288 -2.166 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.894 -9.755 -0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.969 -8.734 -0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.077 -8.556 1.323 1.00 0.00 H new ATOM 353 N VAL A 21 -1.569 -7.540 0.960 1.00 0.00 N ATOM 354 CA VAL A 21 -2.215 -6.241 1.316 1.00 0.00 C ATOM 355 C VAL A 21 -1.415 -5.543 2.420 1.00 0.00 C ATOM 356 O VAL A 21 -1.462 -5.931 3.572 1.00 0.00 O ATOM 357 CB VAL A 21 -3.617 -6.613 1.815 1.00 0.00 C ATOM 358 CG1 VAL A 21 -4.381 -5.344 2.203 1.00 0.00 C ATOM 359 CG2 VAL A 21 -4.381 -7.341 0.705 1.00 0.00 C ATOM 0 H VAL A 21 -1.762 -8.308 1.602 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.258 -5.554 0.471 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.526 -7.264 2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.376 -5.612 2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.843 -4.823 2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.469 -4.692 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.377 -7.605 1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.467 -6.690 -0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.843 -8.248 0.427 1.00 0.00 H new ATOM 369 N GLY A 22 -0.705 -4.496 2.077 1.00 0.00 N ATOM 370 CA GLY A 22 0.073 -3.744 3.105 1.00 0.00 C ATOM 371 C GLY A 22 -0.777 -2.597 3.653 1.00 0.00 C ATOM 372 O GLY A 22 -1.769 -2.213 3.062 1.00 0.00 O ATOM 0 H GLY A 22 -0.632 -4.131 1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.366 -4.412 3.915 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.991 -3.353 2.667 1.00 0.00 H new ATOM 376 N THR A 23 -0.384 -2.037 4.768 1.00 0.00 N ATOM 377 CA THR A 23 -1.152 -0.897 5.352 1.00 0.00 C ATOM 378 C THR A 23 -0.463 0.430 5.018 1.00 0.00 C ATOM 379 O THR A 23 0.747 0.544 5.082 1.00 0.00 O ATOM 380 CB THR A 23 -1.139 -1.143 6.861 1.00 0.00 C ATOM 381 OG1 THR A 23 -1.616 -2.453 7.129 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.040 -0.118 7.554 1.00 0.00 C ATOM 0 H THR A 23 0.438 -2.321 5.301 1.00 0.00 H new ATOM 0 HA THR A 23 -2.166 -0.836 4.958 1.00 0.00 H new ATOM 0 HB THR A 23 -0.121 -1.042 7.238 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.607 -2.613 8.096 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.031 -0.294 8.630 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.673 0.887 7.347 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.059 -0.217 7.179 1.00 0.00 H new ATOM 390 N VAL A 24 -1.230 1.439 4.691 1.00 0.00 N ATOM 391 CA VAL A 24 -0.632 2.774 4.383 1.00 0.00 C ATOM 392 C VAL A 24 -0.322 3.520 5.685 1.00 0.00 C ATOM 393 O VAL A 24 -1.206 3.809 6.469 1.00 0.00 O ATOM 394 CB VAL A 24 -1.701 3.516 3.573 1.00 0.00 C ATOM 395 CG1 VAL A 24 -1.187 4.907 3.191 1.00 0.00 C ATOM 396 CG2 VAL A 24 -2.018 2.729 2.298 1.00 0.00 C ATOM 0 H VAL A 24 -2.247 1.396 4.624 1.00 0.00 H new ATOM 0 HA VAL A 24 0.305 2.692 3.831 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.603 3.614 4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.950 5.431 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.962 5.473 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.283 4.808 2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.778 3.258 1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.114 2.629 1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.388 1.739 2.564 1.00 0.00 H new ATOM 406 N ALA A 25 0.925 3.855 5.903 1.00 0.00 N ATOM 407 CA ALA A 25 1.299 4.609 7.137 1.00 0.00 C ATOM 408 C ALA A 25 1.067 6.109 6.930 1.00 0.00 C ATOM 409 O ALA A 25 0.512 6.781 7.778 1.00 0.00 O ATOM 410 CB ALA A 25 2.786 4.320 7.343 1.00 0.00 C ATOM 0 H ALA A 25 1.701 3.638 5.278 1.00 0.00 H new ATOM 0 HA ALA A 25 0.703 4.311 8.000 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.138 4.840 8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.934 3.247 7.467 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.348 4.666 6.475 1.00 0.00 H new ATOM 416 N SER A 26 1.467 6.628 5.797 1.00 0.00 N ATOM 417 CA SER A 26 1.247 8.077 5.510 1.00 0.00 C ATOM 418 C SER A 26 1.475 8.364 4.024 1.00 0.00 C ATOM 419 O SER A 26 2.009 7.543 3.301 1.00 0.00 O ATOM 420 CB SER A 26 2.282 8.810 6.362 1.00 0.00 C ATOM 421 OG SER A 26 3.566 8.249 6.125 1.00 0.00 O ATOM 0 H SER A 26 1.938 6.108 5.056 1.00 0.00 H new ATOM 0 HA SER A 26 0.230 8.393 5.741 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.285 9.872 6.117 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.025 8.727 7.418 1.00 0.00 H new ATOM 0 HG SER A 26 4.233 8.718 6.669 1.00 0.00 H new ATOM 427 N VAL A 27 1.094 9.531 3.572 1.00 0.00 N ATOM 428 CA VAL A 27 1.310 9.892 2.138 1.00 0.00 C ATOM 429 C VAL A 27 2.181 11.149 2.041 1.00 0.00 C ATOM 430 O VAL A 27 1.888 12.165 2.643 1.00 0.00 O ATOM 431 CB VAL A 27 -0.091 10.159 1.575 1.00 0.00 C ATOM 432 CG1 VAL A 27 0.009 10.532 0.093 1.00 0.00 C ATOM 433 CG2 VAL A 27 -0.950 8.899 1.720 1.00 0.00 C ATOM 0 H VAL A 27 0.642 10.251 4.135 1.00 0.00 H new ATOM 0 HA VAL A 27 1.822 9.105 1.585 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.547 10.981 2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.989 10.721 -0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.618 11.429 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.469 9.712 -0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.946 9.089 1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.489 8.079 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.028 8.631 2.774 1.00 0.00 H new ATOM 443 N ASP A 28 3.233 11.093 1.264 1.00 0.00 N ATOM 444 CA ASP A 28 4.113 12.288 1.097 1.00 0.00 C ATOM 445 C ASP A 28 3.897 12.914 -0.284 1.00 0.00 C ATOM 446 O ASP A 28 4.021 12.255 -1.299 1.00 0.00 O ATOM 447 CB ASP A 28 5.539 11.752 1.226 1.00 0.00 C ATOM 448 CG ASP A 28 6.456 12.858 1.748 1.00 0.00 C ATOM 449 OD1 ASP A 28 6.030 13.587 2.629 1.00 0.00 O ATOM 450 OD2 ASP A 28 7.570 12.959 1.259 1.00 0.00 O ATOM 0 H ASP A 28 3.521 10.268 0.737 1.00 0.00 H new ATOM 0 HA ASP A 28 3.902 13.063 1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.558 10.899 1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.894 11.397 0.258 1.00 0.00 H new ATOM 455 N GLN A 29 3.605 14.189 -0.327 1.00 0.00 N ATOM 456 CA GLN A 29 3.413 14.876 -1.639 1.00 0.00 C ATOM 457 C GLN A 29 4.743 15.450 -2.135 1.00 0.00 C ATOM 458 O GLN A 29 4.825 16.601 -2.524 1.00 0.00 O ATOM 459 CB GLN A 29 2.415 16.000 -1.355 1.00 0.00 C ATOM 460 CG GLN A 29 1.637 16.327 -2.631 1.00 0.00 C ATOM 461 CD GLN A 29 0.662 17.473 -2.354 1.00 0.00 C ATOM 462 OE1 GLN A 29 0.840 18.570 -2.846 1.00 0.00 O ATOM 463 NE2 GLN A 29 -0.369 17.264 -1.582 1.00 0.00 N ATOM 0 H GLN A 29 3.491 14.785 0.493 1.00 0.00 H new ATOM 0 HA GLN A 29 3.053 14.197 -2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.728 15.699 -0.564 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.941 16.886 -1.000 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.326 16.606 -3.428 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.093 15.447 -2.974 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.519 16.343 -1.169 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.025 18.021 -1.392 1.00 0.00 H new ATOM 472 N SER A 30 5.777 14.648 -2.145 1.00 0.00 N ATOM 473 CA SER A 30 7.101 15.129 -2.640 1.00 0.00 C ATOM 474 C SER A 30 7.395 14.540 -4.022 1.00 0.00 C ATOM 475 O SER A 30 6.503 14.089 -4.716 1.00 0.00 O ATOM 476 CB SER A 30 8.114 14.623 -1.614 1.00 0.00 C ATOM 477 OG SER A 30 7.692 15.002 -0.311 1.00 0.00 O ATOM 0 H SER A 30 5.761 13.678 -1.831 1.00 0.00 H new ATOM 0 HA SER A 30 7.134 16.213 -2.745 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.204 13.539 -1.679 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.100 15.037 -1.824 1.00 0.00 H new ATOM 0 HG SER A 30 7.964 14.316 0.334 1.00 0.00 H new ATOM 483 N GLY A 31 8.645 14.514 -4.411 1.00 0.00 N ATOM 484 CA GLY A 31 9.012 13.923 -5.732 1.00 0.00 C ATOM 485 C GLY A 31 9.941 12.727 -5.516 1.00 0.00 C ATOM 486 O GLY A 31 11.071 12.719 -5.970 1.00 0.00 O ATOM 0 H GLY A 31 9.428 14.878 -3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.114 13.608 -6.263 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.504 14.672 -6.353 1.00 0.00 H new ATOM 490 N ILE A 32 9.463 11.708 -4.848 1.00 0.00 N ATOM 491 CA ILE A 32 10.304 10.492 -4.622 1.00 0.00 C ATOM 492 C ILE A 32 9.792 9.327 -5.476 1.00 0.00 C ATOM 493 O ILE A 32 8.750 9.415 -6.098 1.00 0.00 O ATOM 494 CB ILE A 32 10.167 10.176 -3.129 1.00 0.00 C ATOM 495 CG1 ILE A 32 8.692 9.945 -2.774 1.00 0.00 C ATOM 496 CG2 ILE A 32 10.705 11.349 -2.308 1.00 0.00 C ATOM 497 CD1 ILE A 32 8.596 9.257 -1.411 1.00 0.00 C ATOM 0 H ILE A 32 8.525 11.665 -4.449 1.00 0.00 H new ATOM 0 HA ILE A 32 11.345 10.654 -4.903 1.00 0.00 H new ATOM 0 HB ILE A 32 10.737 9.275 -2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.159 10.896 -2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.215 9.330 -3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.608 11.125 -1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.755 11.511 -2.550 1.00 0.00 H new ATOM 0 HG23 ILE A 32 10.136 12.249 -2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.548 9.093 -1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.114 8.299 -1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.057 9.888 -0.651 1.00 0.00 H new ATOM 509 N LYS A 33 10.544 8.259 -5.548 1.00 0.00 N ATOM 510 CA LYS A 33 10.138 7.104 -6.409 1.00 0.00 C ATOM 511 C LYS A 33 8.785 6.545 -5.951 1.00 0.00 C ATOM 512 O LYS A 33 8.047 5.973 -6.731 1.00 0.00 O ATOM 513 CB LYS A 33 11.244 6.055 -6.238 1.00 0.00 C ATOM 514 CG LYS A 33 11.376 5.664 -4.762 1.00 0.00 C ATOM 515 CD LYS A 33 12.265 4.425 -4.639 1.00 0.00 C ATOM 516 CE LYS A 33 13.713 4.856 -4.401 1.00 0.00 C ATOM 517 NZ LYS A 33 14.349 4.828 -5.748 1.00 0.00 N ATOM 0 H LYS A 33 11.424 8.135 -5.047 1.00 0.00 H new ATOM 0 HA LYS A 33 10.021 7.397 -7.452 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.015 5.173 -6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.191 6.451 -6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.804 6.489 -4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.392 5.462 -4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.921 3.798 -3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.198 3.825 -5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.761 5.853 -3.962 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.218 4.179 -3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.937 3.975 -5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.611 4.817 -6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.944 5.673 -5.869 1.00 0.00 H new ATOM 531 N TYR A 34 8.455 6.712 -4.695 1.00 0.00 N ATOM 532 CA TYR A 34 7.149 6.200 -4.182 1.00 0.00 C ATOM 533 C TYR A 34 6.517 7.220 -3.222 1.00 0.00 C ATOM 534 O TYR A 34 6.845 7.242 -2.052 1.00 0.00 O ATOM 535 CB TYR A 34 7.496 4.907 -3.441 1.00 0.00 C ATOM 536 CG TYR A 34 7.979 3.870 -4.428 1.00 0.00 C ATOM 537 CD1 TYR A 34 7.190 3.532 -5.534 1.00 0.00 C ATOM 538 CD2 TYR A 34 9.218 3.247 -4.235 1.00 0.00 C ATOM 539 CE1 TYR A 34 7.640 2.570 -6.447 1.00 0.00 C ATOM 540 CE2 TYR A 34 9.668 2.285 -5.149 1.00 0.00 C ATOM 541 CZ TYR A 34 8.878 1.948 -6.254 1.00 0.00 C ATOM 542 OH TYR A 34 9.322 1.000 -7.154 1.00 0.00 O ATOM 0 H TYR A 34 9.036 7.182 -4.001 1.00 0.00 H new ATOM 0 HA TYR A 34 6.428 6.031 -4.982 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.267 5.100 -2.694 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.621 4.536 -2.907 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.235 4.013 -5.683 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.827 3.508 -3.382 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.031 2.308 -7.300 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.624 1.804 -5.001 1.00 0.00 H new ATOM 0 HH TYR A 34 10.200 0.668 -6.873 1.00 0.00 H new ATOM 552 N PRO A 35 5.624 8.042 -3.741 1.00 0.00 N ATOM 553 CA PRO A 35 4.952 9.071 -2.897 1.00 0.00 C ATOM 554 C PRO A 35 4.321 8.436 -1.649 1.00 0.00 C ATOM 555 O PRO A 35 4.398 8.980 -0.563 1.00 0.00 O ATOM 556 CB PRO A 35 3.868 9.635 -3.813 1.00 0.00 C ATOM 557 CG PRO A 35 4.361 9.375 -5.199 1.00 0.00 C ATOM 558 CD PRO A 35 5.161 8.102 -5.140 1.00 0.00 C ATOM 0 HA PRO A 35 5.644 9.830 -2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.909 9.147 -3.637 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.720 10.701 -3.640 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.527 9.277 -5.894 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.976 10.203 -5.553 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.553 7.235 -5.398 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.998 8.123 -5.838 1.00 0.00 H new ATOM 566 N VAL A 36 3.636 7.333 -1.815 1.00 0.00 N ATOM 567 CA VAL A 36 2.921 6.708 -0.660 1.00 0.00 C ATOM 568 C VAL A 36 3.840 5.706 0.046 1.00 0.00 C ATOM 569 O VAL A 36 4.798 5.220 -0.526 1.00 0.00 O ATOM 570 CB VAL A 36 1.710 5.996 -1.274 1.00 0.00 C ATOM 571 CG1 VAL A 36 0.890 5.326 -0.168 1.00 0.00 C ATOM 572 CG2 VAL A 36 0.830 7.016 -2.004 1.00 0.00 C ATOM 0 H VAL A 36 3.541 6.837 -2.701 1.00 0.00 H new ATOM 0 HA VAL A 36 2.619 7.442 0.087 1.00 0.00 H new ATOM 0 HB VAL A 36 2.059 5.241 -1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.030 4.821 -0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.510 4.598 0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.545 6.082 0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.030 6.508 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.486 7.771 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.408 7.495 -2.795 1.00 0.00 H new ATOM 582 N ILE A 37 3.543 5.384 1.279 1.00 0.00 N ATOM 583 CA ILE A 37 4.383 4.399 2.028 1.00 0.00 C ATOM 584 C ILE A 37 3.512 3.242 2.527 1.00 0.00 C ATOM 585 O ILE A 37 2.357 3.425 2.866 1.00 0.00 O ATOM 586 CB ILE A 37 4.969 5.186 3.206 1.00 0.00 C ATOM 587 CG1 ILE A 37 5.802 6.358 2.678 1.00 0.00 C ATOM 588 CG2 ILE A 37 5.865 4.269 4.043 1.00 0.00 C ATOM 589 CD1 ILE A 37 4.923 7.605 2.573 1.00 0.00 C ATOM 0 H ILE A 37 2.753 5.762 1.802 1.00 0.00 H new ATOM 0 HA ILE A 37 5.166 3.963 1.407 1.00 0.00 H new ATOM 0 HB ILE A 37 4.155 5.565 3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.643 6.549 3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.218 6.111 1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.280 4.831 4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.277 3.434 4.423 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.677 3.889 3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.517 8.438 2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.097 7.411 1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.528 7.856 3.558 1.00 0.00 H new ATOM 601 N VAL A 38 4.063 2.056 2.583 1.00 0.00 N ATOM 602 CA VAL A 38 3.279 0.882 3.073 1.00 0.00 C ATOM 603 C VAL A 38 4.074 0.133 4.149 1.00 0.00 C ATOM 604 O VAL A 38 5.286 0.050 4.089 1.00 0.00 O ATOM 605 CB VAL A 38 3.069 -0.003 1.839 1.00 0.00 C ATOM 606 CG1 VAL A 38 2.257 -1.243 2.225 1.00 0.00 C ATOM 607 CG2 VAL A 38 2.307 0.782 0.767 1.00 0.00 C ATOM 0 H VAL A 38 5.024 1.850 2.310 1.00 0.00 H new ATOM 0 HA VAL A 38 2.331 1.175 3.524 1.00 0.00 H new ATOM 0 HB VAL A 38 4.040 -0.309 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.110 -1.870 1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.795 -1.807 2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.288 -0.936 2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.159 0.151 -0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.338 1.089 1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.881 1.665 0.486 1.00 0.00 H new ATOM 617 N ARG A 39 3.392 -0.454 5.100 1.00 0.00 N ATOM 618 CA ARG A 39 4.094 -1.250 6.150 1.00 0.00 C ATOM 619 C ARG A 39 3.783 -2.739 5.981 1.00 0.00 C ATOM 620 O ARG A 39 2.724 -3.111 5.510 1.00 0.00 O ATOM 621 CB ARG A 39 3.536 -0.733 7.477 1.00 0.00 C ATOM 622 CG ARG A 39 4.629 -0.784 8.546 1.00 0.00 C ATOM 623 CD ARG A 39 3.989 -0.960 9.925 1.00 0.00 C ATOM 624 NE ARG A 39 4.819 -0.126 10.850 1.00 0.00 N ATOM 625 CZ ARG A 39 4.822 -0.338 12.151 1.00 0.00 C ATOM 626 NH1 ARG A 39 4.066 -1.261 12.700 1.00 0.00 N ATOM 627 NH2 ARG A 39 5.596 0.386 12.912 1.00 0.00 N ATOM 0 H ARG A 39 2.377 -0.416 5.194 1.00 0.00 H new ATOM 0 HA ARG A 39 5.177 -1.144 6.094 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.176 0.289 7.359 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.683 -1.338 7.785 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.312 -1.609 8.343 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.219 0.132 8.522 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.950 -0.630 9.922 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.991 -2.007 10.230 1.00 0.00 H new ATOM 0 HE ARG A 39 5.395 0.623 10.465 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.457 -1.835 12.117 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.088 -1.404 13.710 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.189 1.106 12.499 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.608 0.232 13.920 1.00 0.00 H new ATOM 641 N PHE A 40 4.695 -3.593 6.373 1.00 0.00 N ATOM 642 CA PHE A 40 4.455 -5.062 6.253 1.00 0.00 C ATOM 643 C PHE A 40 4.711 -5.752 7.596 1.00 0.00 C ATOM 644 O PHE A 40 5.644 -5.425 8.303 1.00 0.00 O ATOM 645 CB PHE A 40 5.460 -5.542 5.205 1.00 0.00 C ATOM 646 CG PHE A 40 5.154 -4.892 3.877 1.00 0.00 C ATOM 647 CD1 PHE A 40 3.880 -5.023 3.310 1.00 0.00 C ATOM 648 CD2 PHE A 40 6.144 -4.159 3.212 1.00 0.00 C ATOM 649 CE1 PHE A 40 3.597 -4.420 2.078 1.00 0.00 C ATOM 650 CE2 PHE A 40 5.861 -3.557 1.981 1.00 0.00 C ATOM 651 CZ PHE A 40 4.587 -3.686 1.414 1.00 0.00 C ATOM 0 H PHE A 40 5.597 -3.334 6.772 1.00 0.00 H new ATOM 0 HA PHE A 40 3.428 -5.291 5.969 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.474 -5.294 5.518 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.412 -6.627 5.110 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.116 -5.589 3.823 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.126 -4.058 3.649 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.615 -4.521 1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.625 -2.993 1.468 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.368 -3.219 0.465 1.00 0.00 H new ATOM 661 N GLU A 41 3.934 -6.759 7.910 1.00 0.00 N ATOM 662 CA GLU A 41 4.179 -7.539 9.159 1.00 0.00 C ATOM 663 C GLU A 41 5.128 -8.707 8.876 1.00 0.00 C ATOM 664 O GLU A 41 5.897 -9.111 9.727 1.00 0.00 O ATOM 665 CB GLU A 41 2.803 -8.055 9.580 1.00 0.00 C ATOM 666 CG GLU A 41 2.010 -6.924 10.237 1.00 0.00 C ATOM 667 CD GLU A 41 0.657 -7.456 10.709 1.00 0.00 C ATOM 668 OE1 GLU A 41 -0.223 -7.603 9.877 1.00 0.00 O ATOM 669 OE2 GLU A 41 0.521 -7.704 11.896 1.00 0.00 O ATOM 0 H GLU A 41 3.140 -7.074 7.353 1.00 0.00 H new ATOM 0 HA GLU A 41 4.643 -6.935 9.939 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.264 -8.434 8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.913 -8.887 10.275 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.567 -6.518 11.081 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.865 -6.108 9.529 1.00 0.00 H new ATOM 676 N LYS A 42 5.110 -9.214 7.670 1.00 0.00 N ATOM 677 CA LYS A 42 6.047 -10.318 7.302 1.00 0.00 C ATOM 678 C LYS A 42 7.426 -9.749 6.958 1.00 0.00 C ATOM 679 O LYS A 42 7.574 -8.989 6.019 1.00 0.00 O ATOM 680 CB LYS A 42 5.419 -10.979 6.074 1.00 0.00 C ATOM 681 CG LYS A 42 5.857 -12.443 5.999 1.00 0.00 C ATOM 682 CD LYS A 42 7.344 -12.515 5.646 1.00 0.00 C ATOM 683 CE LYS A 42 7.729 -13.967 5.354 1.00 0.00 C ATOM 684 NZ LYS A 42 9.219 -13.978 5.365 1.00 0.00 N ATOM 0 H LYS A 42 4.486 -8.910 6.923 1.00 0.00 H new ATOM 0 HA LYS A 42 6.190 -11.026 8.118 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.332 -10.916 6.131 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.722 -10.451 5.170 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.675 -12.937 6.953 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.269 -12.971 5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.553 -11.890 4.778 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.943 -12.127 6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.323 -14.642 6.107 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.339 -14.293 4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.573 -14.040 4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.569 -13.103 5.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.556 -14.798 5.908 1.00 0.00 H new ATOM 698 N VAL A 43 8.445 -10.180 7.657 1.00 0.00 N ATOM 699 CA VAL A 43 9.834 -9.741 7.313 1.00 0.00 C ATOM 700 C VAL A 43 10.195 -10.195 5.895 1.00 0.00 C ATOM 701 O VAL A 43 9.346 -10.630 5.141 1.00 0.00 O ATOM 702 CB VAL A 43 10.746 -10.413 8.348 1.00 0.00 C ATOM 703 CG1 VAL A 43 10.381 -9.914 9.748 1.00 0.00 C ATOM 704 CG2 VAL A 43 10.572 -11.936 8.292 1.00 0.00 C ATOM 0 H VAL A 43 8.377 -10.817 8.451 1.00 0.00 H new ATOM 0 HA VAL A 43 9.937 -8.656 7.335 1.00 0.00 H new ATOM 0 HB VAL A 43 11.783 -10.162 8.125 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.028 -10.391 10.484 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.513 -8.833 9.795 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.342 -10.163 9.963 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.223 -12.404 9.030 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.535 -12.192 8.509 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.834 -12.296 7.297 1.00 0.00 H new ATOM 714 N ASN A 44 11.458 -10.146 5.552 1.00 0.00 N ATOM 715 CA ASN A 44 11.892 -10.633 4.208 1.00 0.00 C ATOM 716 C ASN A 44 13.359 -11.075 4.249 1.00 0.00 C ATOM 717 O ASN A 44 13.907 -11.330 5.305 1.00 0.00 O ATOM 718 CB ASN A 44 11.710 -9.434 3.268 1.00 0.00 C ATOM 719 CG ASN A 44 12.556 -8.247 3.746 1.00 0.00 C ATOM 720 OD1 ASN A 44 13.066 -8.250 4.848 1.00 0.00 O ATOM 721 ND2 ASN A 44 12.728 -7.226 2.952 1.00 0.00 N ATOM 0 H ASN A 44 12.207 -9.790 6.145 1.00 0.00 H new ATOM 0 HA ASN A 44 11.314 -11.496 3.877 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.000 -9.711 2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 44 10.659 -9.148 3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.290 -6.432 3.257 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.300 -7.222 2.026 1.00 0.00 H new ATOM 728 N TYR A 45 13.964 -11.251 3.103 1.00 0.00 N ATOM 729 CA TYR A 45 15.365 -11.778 3.061 1.00 0.00 C ATOM 730 C TYR A 45 16.312 -10.827 3.798 1.00 0.00 C ATOM 731 O TYR A 45 17.341 -11.233 4.305 1.00 0.00 O ATOM 732 CB TYR A 45 15.726 -11.849 1.577 1.00 0.00 C ATOM 733 CG TYR A 45 14.871 -12.894 0.900 1.00 0.00 C ATOM 734 CD1 TYR A 45 14.872 -14.212 1.372 1.00 0.00 C ATOM 735 CD2 TYR A 45 14.078 -12.545 -0.200 1.00 0.00 C ATOM 736 CE1 TYR A 45 14.080 -15.181 0.745 1.00 0.00 C ATOM 737 CE2 TYR A 45 13.285 -13.514 -0.826 1.00 0.00 C ATOM 738 CZ TYR A 45 13.286 -14.832 -0.354 1.00 0.00 C ATOM 739 OH TYR A 45 12.505 -15.786 -0.973 1.00 0.00 O ATOM 0 H TYR A 45 13.550 -11.053 2.192 1.00 0.00 H new ATOM 0 HA TYR A 45 15.450 -12.751 3.545 1.00 0.00 H new ATOM 0 HB2 TYR A 45 15.572 -10.878 1.107 1.00 0.00 H new ATOM 0 HB3 TYR A 45 16.781 -12.096 1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 45 15.484 -14.481 2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 45 14.078 -11.529 -0.565 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.081 -16.198 1.109 1.00 0.00 H new ATOM 0 HE2 TYR A 45 12.672 -13.245 -1.673 1.00 0.00 H new ATOM 0 HH TYR A 45 12.016 -15.376 -1.717 1.00 0.00 H new ATOM 749 N SER A 46 15.990 -9.559 3.826 1.00 0.00 N ATOM 750 CA SER A 46 16.888 -8.566 4.489 1.00 0.00 C ATOM 751 C SER A 46 16.479 -8.374 5.952 1.00 0.00 C ATOM 752 O SER A 46 17.288 -8.012 6.787 1.00 0.00 O ATOM 753 CB SER A 46 16.692 -7.269 3.705 1.00 0.00 C ATOM 754 OG SER A 46 17.596 -7.242 2.608 1.00 0.00 O ATOM 0 H SER A 46 15.141 -9.168 3.417 1.00 0.00 H new ATOM 0 HA SER A 46 17.929 -8.889 4.490 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.665 -7.199 3.347 1.00 0.00 H new ATOM 0 HB3 SER A 46 16.863 -6.409 4.353 1.00 0.00 H new ATOM 0 HG SER A 46 17.472 -6.412 2.102 1.00 0.00 H new ATOM 760 N GLY A 47 15.221 -8.566 6.256 1.00 0.00 N ATOM 761 CA GLY A 47 14.739 -8.340 7.650 1.00 0.00 C ATOM 762 C GLY A 47 14.135 -6.940 7.762 1.00 0.00 C ATOM 763 O GLY A 47 14.603 -6.113 8.522 1.00 0.00 O ATOM 0 H GLY A 47 14.505 -8.871 5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.994 -9.091 7.914 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.565 -8.448 8.353 1.00 0.00 H new ATOM 767 N ILE A 55 13.136 -6.651 6.966 1.00 0.00 N ATOM 768 CA ILE A 55 12.538 -5.282 6.970 1.00 0.00 C ATOM 769 C ILE A 55 11.017 -5.377 7.121 1.00 0.00 C ATOM 770 O ILE A 55 10.412 -6.375 6.774 1.00 0.00 O ATOM 771 CB ILE A 55 12.913 -4.676 5.612 1.00 0.00 C ATOM 772 CG1 ILE A 55 14.438 -4.626 5.473 1.00 0.00 C ATOM 773 CG2 ILE A 55 12.351 -3.256 5.506 1.00 0.00 C ATOM 774 CD1 ILE A 55 14.809 -4.394 4.008 1.00 0.00 C ATOM 0 H ILE A 55 12.708 -7.307 6.312 1.00 0.00 H new ATOM 0 HA ILE A 55 12.903 -4.672 7.796 1.00 0.00 H new ATOM 0 HB ILE A 55 12.493 -5.294 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.844 -3.827 6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.877 -5.559 5.827 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.620 -2.829 4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.265 -3.286 5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.767 -2.640 6.303 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.894 -4.358 3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.415 -5.208 3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.382 -3.450 3.670 1.00 0.00 H new ATOM 786 N ASN A 56 10.390 -4.318 7.567 1.00 0.00 N ATOM 787 CA ASN A 56 8.897 -4.308 7.664 1.00 0.00 C ATOM 788 C ASN A 56 8.347 -2.922 7.306 1.00 0.00 C ATOM 789 O ASN A 56 7.260 -2.556 7.711 1.00 0.00 O ATOM 790 CB ASN A 56 8.585 -4.657 9.124 1.00 0.00 C ATOM 791 CG ASN A 56 9.238 -3.634 10.060 1.00 0.00 C ATOM 792 OD1 ASN A 56 10.396 -3.763 10.407 1.00 0.00 O ATOM 793 ND2 ASN A 56 8.540 -2.616 10.483 1.00 0.00 N ATOM 0 H ASN A 56 10.848 -3.458 7.869 1.00 0.00 H new ATOM 0 HA ASN A 56 8.437 -5.015 6.974 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.506 -4.669 9.281 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.951 -5.658 9.353 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.966 -1.929 11.105 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.568 -2.508 10.192 1.00 0.00 H new ATOM 800 N THR A 57 9.063 -2.179 6.499 1.00 0.00 N ATOM 801 CA THR A 57 8.557 -0.847 6.052 1.00 0.00 C ATOM 802 C THR A 57 9.199 -0.459 4.717 1.00 0.00 C ATOM 803 O THR A 57 10.410 -0.419 4.591 1.00 0.00 O ATOM 804 CB THR A 57 8.979 0.130 7.152 1.00 0.00 C ATOM 805 OG1 THR A 57 10.305 -0.169 7.567 1.00 0.00 O ATOM 806 CG2 THR A 57 8.029 0.001 8.344 1.00 0.00 C ATOM 0 H THR A 57 9.978 -2.439 6.130 1.00 0.00 H new ATOM 0 HA THR A 57 7.478 -0.847 5.899 1.00 0.00 H new ATOM 0 HB THR A 57 8.939 1.149 6.767 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.861 -0.352 6.781 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.331 0.697 9.127 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.012 0.231 8.026 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.066 -1.018 8.730 1.00 0.00 H new ATOM 814 N ASN A 58 8.397 -0.149 3.731 1.00 0.00 N ATOM 815 CA ASN A 58 8.952 0.267 2.408 1.00 0.00 C ATOM 816 C ASN A 58 8.130 1.422 1.828 1.00 0.00 C ATOM 817 O ASN A 58 7.274 1.978 2.491 1.00 0.00 O ATOM 818 CB ASN A 58 8.834 -0.974 1.522 1.00 0.00 C ATOM 819 CG ASN A 58 10.152 -1.750 1.551 1.00 0.00 C ATOM 820 OD1 ASN A 58 10.462 -2.445 2.610 1.00 0.00 O flip ATOM 821 ND2 ASN A 58 10.907 -1.724 0.600 1.00 0.00 N flip ATOM 0 H ASN A 58 7.379 -0.166 3.785 1.00 0.00 H new ATOM 0 HA ASN A 58 9.981 0.618 2.484 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.019 -1.608 1.872 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.594 -0.682 0.500 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.665 -1.181 -0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.783 -2.246 0.630 1.00 0.00 H new ATOM 828 N ASN A 59 8.385 1.782 0.597 1.00 0.00 N ATOM 829 CA ASN A 59 7.622 2.899 -0.037 1.00 0.00 C ATOM 830 C ASN A 59 7.043 2.450 -1.380 1.00 0.00 C ATOM 831 O ASN A 59 7.728 1.860 -2.195 1.00 0.00 O ATOM 832 CB ASN A 59 8.648 4.013 -0.242 1.00 0.00 C ATOM 833 CG ASN A 59 9.191 4.465 1.116 1.00 0.00 C ATOM 834 OD1 ASN A 59 9.743 3.676 1.856 1.00 0.00 O ATOM 835 ND2 ASN A 59 9.054 5.713 1.476 1.00 0.00 N ATOM 0 H ASN A 59 9.091 1.349 0.001 1.00 0.00 H new ATOM 0 HA ASN A 59 6.782 3.225 0.577 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.464 3.659 -0.872 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.188 4.855 -0.760 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.411 6.025 2.379 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.590 6.375 0.854 1.00 0.00 H new ATOM 842 N PHE A 60 5.796 2.762 -1.633 1.00 0.00 N ATOM 843 CA PHE A 60 5.177 2.399 -2.942 1.00 0.00 C ATOM 844 C PHE A 60 4.380 3.584 -3.497 1.00 0.00 C ATOM 845 O PHE A 60 4.003 4.483 -2.770 1.00 0.00 O ATOM 846 CB PHE A 60 4.245 1.227 -2.628 1.00 0.00 C ATOM 847 CG PHE A 60 5.057 0.058 -2.126 1.00 0.00 C ATOM 848 CD1 PHE A 60 5.430 -0.007 -0.779 1.00 0.00 C ATOM 849 CD2 PHE A 60 5.436 -0.962 -3.007 1.00 0.00 C ATOM 850 CE1 PHE A 60 6.182 -1.092 -0.312 1.00 0.00 C ATOM 851 CE2 PHE A 60 6.188 -2.047 -2.540 1.00 0.00 C ATOM 852 CZ PHE A 60 6.562 -2.112 -1.192 1.00 0.00 C ATOM 0 H PHE A 60 5.180 3.254 -0.986 1.00 0.00 H new ATOM 0 HA PHE A 60 5.923 2.138 -3.693 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.512 1.523 -1.878 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.690 0.941 -3.521 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.138 0.780 -0.099 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.148 -0.912 -4.047 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.469 -1.142 0.728 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.480 -2.834 -3.220 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.143 -2.948 -0.832 1.00 0.00 H new ATOM 862 N ALA A 61 4.114 3.581 -4.778 1.00 0.00 N ATOM 863 CA ALA A 61 3.332 4.697 -5.388 1.00 0.00 C ATOM 864 C ALA A 61 1.838 4.355 -5.391 1.00 0.00 C ATOM 865 O ALA A 61 1.458 3.203 -5.309 1.00 0.00 O ATOM 866 CB ALA A 61 3.858 4.813 -6.819 1.00 0.00 C ATOM 0 H ALA A 61 4.406 2.852 -5.429 1.00 0.00 H new ATOM 0 HA ALA A 61 3.444 5.630 -4.836 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.331 5.615 -7.336 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.925 5.035 -6.798 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.693 3.872 -7.345 1.00 0.00 H new ATOM 872 N GLU A 62 0.994 5.355 -5.423 1.00 0.00 N ATOM 873 CA GLU A 62 -0.480 5.101 -5.357 1.00 0.00 C ATOM 874 C GLU A 62 -0.946 4.344 -6.606 1.00 0.00 C ATOM 875 O GLU A 62 -1.911 3.604 -6.568 1.00 0.00 O ATOM 876 CB GLU A 62 -1.132 6.489 -5.287 1.00 0.00 C ATOM 877 CG GLU A 62 -0.749 7.314 -6.522 1.00 0.00 C ATOM 878 CD GLU A 62 -0.585 8.783 -6.127 1.00 0.00 C ATOM 879 OE1 GLU A 62 0.167 9.045 -5.201 1.00 0.00 O ATOM 880 OE2 GLU A 62 -1.211 9.620 -6.755 1.00 0.00 O ATOM 0 H GLU A 62 1.261 6.337 -5.492 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.750 4.488 -4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.216 6.388 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.811 7.005 -4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.179 6.936 -6.951 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.517 7.217 -7.289 1.00 0.00 H new ATOM 887 N ASP A 63 -0.268 4.529 -7.711 1.00 0.00 N ATOM 888 CA ASP A 63 -0.669 3.826 -8.968 1.00 0.00 C ATOM 889 C ASP A 63 -0.365 2.326 -8.865 1.00 0.00 C ATOM 890 O ASP A 63 -0.997 1.513 -9.512 1.00 0.00 O ATOM 891 CB ASP A 63 0.161 4.481 -10.085 1.00 0.00 C ATOM 892 CG ASP A 63 1.662 4.254 -9.851 1.00 0.00 C ATOM 893 OD1 ASP A 63 2.043 4.014 -8.715 1.00 0.00 O ATOM 894 OD2 ASP A 63 2.406 4.323 -10.815 1.00 0.00 O ATOM 0 H ASP A 63 0.546 5.137 -7.797 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.738 3.913 -9.161 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.128 4.066 -11.051 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.049 5.550 -10.121 1.00 0.00 H new ATOM 899 N GLU A 64 0.601 1.959 -8.059 1.00 0.00 N ATOM 900 CA GLU A 64 0.954 0.515 -7.914 1.00 0.00 C ATOM 901 C GLU A 64 0.270 -0.078 -6.679 1.00 0.00 C ATOM 902 O GLU A 64 0.739 -1.042 -6.105 1.00 0.00 O ATOM 903 CB GLU A 64 2.473 0.495 -7.748 1.00 0.00 C ATOM 904 CG GLU A 64 3.134 1.040 -9.016 1.00 0.00 C ATOM 905 CD GLU A 64 4.585 1.421 -8.713 1.00 0.00 C ATOM 906 OE1 GLU A 64 4.837 1.887 -7.613 1.00 0.00 O ATOM 907 OE2 GLU A 64 5.418 1.240 -9.584 1.00 0.00 O ATOM 0 H GLU A 64 1.160 2.599 -7.495 1.00 0.00 H new ATOM 0 HA GLU A 64 0.629 -0.077 -8.769 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.763 1.097 -6.887 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.815 -0.522 -7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.101 0.290 -9.807 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.587 1.910 -9.379 1.00 0.00 H new ATOM 914 N LEU A 65 -0.865 0.457 -6.305 1.00 0.00 N ATOM 915 CA LEU A 65 -1.623 -0.113 -5.151 1.00 0.00 C ATOM 916 C LEU A 65 -3.120 -0.154 -5.469 1.00 0.00 C ATOM 917 O LEU A 65 -3.736 0.864 -5.722 1.00 0.00 O ATOM 918 CB LEU A 65 -1.348 0.839 -3.986 1.00 0.00 C ATOM 919 CG LEU A 65 0.114 0.711 -3.555 1.00 0.00 C ATOM 920 CD1 LEU A 65 0.426 1.767 -2.493 1.00 0.00 C ATOM 921 CD2 LEU A 65 0.354 -0.682 -2.971 1.00 0.00 C ATOM 0 H LEU A 65 -1.300 1.265 -6.750 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.319 -1.135 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.562 1.866 -4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.006 0.606 -3.149 1.00 0.00 H new ATOM 0 HG LEU A 65 0.761 0.860 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.468 1.677 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.255 2.761 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.222 1.617 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.396 -0.773 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.293 -0.831 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.131 -1.436 -3.726 1.00 0.00 H new ATOM 933 N VAL A 66 -3.716 -1.317 -5.407 1.00 0.00 N ATOM 934 CA VAL A 66 -5.186 -1.427 -5.649 1.00 0.00 C ATOM 935 C VAL A 66 -5.934 -1.471 -4.312 1.00 0.00 C ATOM 936 O VAL A 66 -5.435 -1.990 -3.330 1.00 0.00 O ATOM 937 CB VAL A 66 -5.370 -2.741 -6.418 1.00 0.00 C ATOM 938 CG1 VAL A 66 -6.854 -2.953 -6.730 1.00 0.00 C ATOM 939 CG2 VAL A 66 -4.583 -2.682 -7.730 1.00 0.00 C ATOM 0 H VAL A 66 -3.246 -2.198 -5.198 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.580 -0.577 -6.207 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.004 -3.567 -5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.981 -3.888 -7.276 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.419 -2.997 -5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.220 -2.125 -7.337 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.715 -3.616 -8.276 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.948 -1.853 -8.336 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.525 -2.534 -7.513 1.00 0.00 H new ATOM 949 N GLU A 67 -7.135 -0.952 -4.277 1.00 0.00 N ATOM 950 CA GLU A 67 -7.934 -0.981 -3.016 1.00 0.00 C ATOM 951 C GLU A 67 -8.620 -2.342 -2.856 1.00 0.00 C ATOM 952 O GLU A 67 -9.321 -2.799 -3.738 1.00 0.00 O ATOM 953 CB GLU A 67 -8.975 0.127 -3.178 1.00 0.00 C ATOM 954 CG GLU A 67 -8.442 1.422 -2.562 1.00 0.00 C ATOM 955 CD GLU A 67 -9.612 2.351 -2.233 1.00 0.00 C ATOM 956 OE1 GLU A 67 -10.240 2.831 -3.162 1.00 0.00 O ATOM 957 OE2 GLU A 67 -9.859 2.567 -1.059 1.00 0.00 O ATOM 0 H GLU A 67 -7.597 -0.508 -5.070 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.314 -0.831 -2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.198 0.279 -4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.908 -0.162 -2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.875 1.200 -1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.758 1.912 -3.255 1.00 0.00 H new ATOM 964 N VAL A 68 -8.436 -2.978 -1.727 1.00 0.00 N ATOM 965 CA VAL A 68 -9.092 -4.300 -1.490 1.00 0.00 C ATOM 966 C VAL A 68 -9.707 -4.344 -0.087 1.00 0.00 C ATOM 967 O VAL A 68 -9.475 -5.266 0.672 1.00 0.00 O ATOM 968 CB VAL A 68 -7.970 -5.338 -1.626 1.00 0.00 C ATOM 969 CG1 VAL A 68 -7.394 -5.282 -3.040 1.00 0.00 C ATOM 970 CG2 VAL A 68 -6.857 -5.042 -0.613 1.00 0.00 C ATOM 0 H VAL A 68 -7.859 -2.638 -0.958 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.902 -4.489 -2.194 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.377 -6.331 -1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.597 -6.019 -3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.181 -5.500 -3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.993 -4.286 -3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.065 -5.783 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.450 -4.048 -0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.264 -5.084 0.397 1.00 0.00 H new ATOM 980 N GLU A 69 -10.526 -3.377 0.240 1.00 0.00 N ATOM 981 CA GLU A 69 -11.204 -3.379 1.571 1.00 0.00 C ATOM 982 C GLU A 69 -12.708 -3.604 1.397 1.00 0.00 C ATOM 983 O GLU A 69 -13.390 -2.827 0.754 1.00 0.00 O ATOM 984 CB GLU A 69 -10.934 -1.993 2.156 1.00 0.00 C ATOM 985 CG GLU A 69 -11.343 -1.972 3.630 1.00 0.00 C ATOM 986 CD GLU A 69 -11.859 -0.579 3.997 1.00 0.00 C ATOM 987 OE1 GLU A 69 -11.078 0.356 3.934 1.00 0.00 O ATOM 988 OE2 GLU A 69 -13.027 -0.471 4.334 1.00 0.00 O ATOM 0 H GLU A 69 -10.755 -2.584 -0.359 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.836 -4.174 2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.877 -1.745 2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.492 -1.238 1.602 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.116 -2.718 3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.492 -2.233 4.258 1.00 0.00 H new ATOM 995 N ALA A 70 -13.229 -4.657 1.974 1.00 0.00 N ATOM 996 CA ALA A 70 -14.693 -4.937 1.859 1.00 0.00 C ATOM 997 C ALA A 70 -15.455 -4.263 3.014 1.00 0.00 C ATOM 998 O ALA A 70 -15.300 -4.656 4.153 1.00 0.00 O ATOM 999 CB ALA A 70 -14.808 -6.458 1.960 1.00 0.00 C ATOM 0 H ALA A 70 -12.702 -5.337 2.522 1.00 0.00 H new ATOM 0 HA ALA A 70 -15.118 -4.553 0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.856 -6.749 1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.243 -6.920 1.150 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -14.407 -6.790 2.918 1.00 0.00 H new ATOM 1005 N PRO A 71 -16.262 -3.263 2.698 1.00 0.00 N ATOM 1006 CA PRO A 71 -17.040 -2.554 3.755 1.00 0.00 C ATOM 1007 C PRO A 71 -17.845 -3.546 4.605 1.00 0.00 C ATOM 1008 O PRO A 71 -17.777 -4.744 4.404 1.00 0.00 O ATOM 1009 CB PRO A 71 -17.978 -1.646 2.964 1.00 0.00 C ATOM 1010 CG PRO A 71 -17.295 -1.438 1.652 1.00 0.00 C ATOM 1011 CD PRO A 71 -16.526 -2.699 1.362 1.00 0.00 C ATOM 0 HA PRO A 71 -16.402 -2.009 4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -18.956 -2.108 2.831 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -18.140 -0.699 3.480 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -18.022 -1.238 0.865 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.627 -0.578 1.695 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.103 -3.387 0.744 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.600 -2.489 0.826 1.00 0.00 H new ATOM 1019 N LYS A 72 -18.632 -3.050 5.525 1.00 0.00 N ATOM 1020 CA LYS A 72 -19.477 -3.951 6.362 1.00 0.00 C ATOM 1021 C LYS A 72 -20.757 -4.325 5.610 1.00 0.00 C ATOM 1022 O LYS A 72 -21.166 -3.645 4.688 1.00 0.00 O ATOM 1023 CB LYS A 72 -19.808 -3.136 7.613 1.00 0.00 C ATOM 1024 CG LYS A 72 -19.995 -4.079 8.804 1.00 0.00 C ATOM 1025 CD LYS A 72 -18.657 -4.262 9.524 1.00 0.00 C ATOM 1026 CE LYS A 72 -18.872 -5.080 10.800 1.00 0.00 C ATOM 1027 NZ LYS A 72 -17.543 -5.099 11.472 1.00 0.00 N ATOM 0 H LYS A 72 -18.725 -2.056 5.733 1.00 0.00 H new ATOM 0 HA LYS A 72 -18.969 -4.884 6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -19.007 -2.427 7.820 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -20.715 -2.554 7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -20.737 -3.672 9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -20.371 -5.043 8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.946 -4.768 8.870 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -18.228 -3.290 9.770 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.630 -4.626 11.437 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.213 -6.089 10.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.609 -5.642 12.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.843 -5.543 10.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.248 -4.125 11.685 1.00 0.00 H new ATOM 1041 N ALA A 73 -21.407 -5.386 6.020 1.00 0.00 N ATOM 1042 CA ALA A 73 -22.680 -5.794 5.355 1.00 0.00 C ATOM 1043 C ALA A 73 -23.853 -4.991 5.923 1.00 0.00 C ATOM 1044 O ALA A 73 -24.557 -5.444 6.805 1.00 0.00 O ATOM 1045 CB ALA A 73 -22.839 -7.279 5.681 1.00 0.00 C ATOM 0 H ALA A 73 -21.109 -5.987 6.788 1.00 0.00 H new ATOM 0 HA ALA A 73 -22.662 -5.613 4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -23.755 -7.655 5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -21.985 -7.831 5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -22.890 -7.411 6.762 1.00 0.00 H new ATOM 1051 N LYS A 74 -24.080 -3.806 5.406 1.00 0.00 N ATOM 1052 CA LYS A 74 -25.224 -2.961 5.889 1.00 0.00 C ATOM 1053 C LYS A 74 -25.178 -2.806 7.422 1.00 0.00 C ATOM 1054 O LYS A 74 -25.773 -3.591 8.132 1.00 0.00 O ATOM 1055 CB LYS A 74 -26.491 -3.708 5.463 1.00 0.00 C ATOM 1056 CG LYS A 74 -26.887 -3.275 4.050 1.00 0.00 C ATOM 1057 CD LYS A 74 -28.223 -3.919 3.674 1.00 0.00 C ATOM 1058 CE LYS A 74 -27.967 -5.233 2.933 1.00 0.00 C ATOM 1059 NZ LYS A 74 -27.938 -4.862 1.491 1.00 0.00 N ATOM 0 H LYS A 74 -23.519 -3.384 4.666 1.00 0.00 H new ATOM 0 HA LYS A 74 -25.186 -1.955 5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -26.318 -4.784 5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -27.302 -3.498 6.160 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -26.968 -2.189 4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -26.116 -3.570 3.338 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -28.814 -4.104 4.571 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -28.801 -3.242 3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -27.025 -5.684 3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -28.752 -5.961 3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -27.767 -5.712 0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -28.850 -4.441 1.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -27.177 -4.173 1.325 1.00 0.00 H new ATOM 1073 N PRO A 75 -24.472 -1.793 7.888 1.00 0.00 N ATOM 1074 CA PRO A 75 -24.362 -1.552 9.356 1.00 0.00 C ATOM 1075 C PRO A 75 -25.750 -1.484 10.007 1.00 0.00 C ATOM 1076 O PRO A 75 -25.928 -1.867 11.149 1.00 0.00 O ATOM 1077 CB PRO A 75 -23.662 -0.198 9.446 1.00 0.00 C ATOM 1078 CG PRO A 75 -22.910 -0.067 8.163 1.00 0.00 C ATOM 1079 CD PRO A 75 -23.712 -0.792 7.116 1.00 0.00 C ATOM 0 HA PRO A 75 -23.825 -2.347 9.874 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -24.382 0.612 9.566 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -22.990 -0.157 10.303 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -22.782 0.982 7.895 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -21.913 -0.497 8.253 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -24.375 -0.114 6.578 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -23.068 -1.264 6.374 1.00 0.00 H new ATOM 1087 N LYS A 76 -26.735 -1.026 9.276 1.00 0.00 N ATOM 1088 CA LYS A 76 -28.119 -0.959 9.833 1.00 0.00 C ATOM 1089 C LYS A 76 -29.136 -1.393 8.773 1.00 0.00 C ATOM 1090 O LYS A 76 -29.120 -0.914 7.655 1.00 0.00 O ATOM 1091 CB LYS A 76 -28.326 0.510 10.205 1.00 0.00 C ATOM 1092 CG LYS A 76 -29.278 0.605 11.399 1.00 0.00 C ATOM 1093 CD LYS A 76 -29.447 2.071 11.803 1.00 0.00 C ATOM 1094 CE LYS A 76 -28.184 2.551 12.523 1.00 0.00 C ATOM 1095 NZ LYS A 76 -28.466 2.346 13.971 1.00 0.00 N ATOM 0 H LYS A 76 -26.639 -0.695 8.316 1.00 0.00 H new ATOM 0 HA LYS A 76 -28.252 -1.619 10.690 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -27.370 0.972 10.451 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -28.735 1.057 9.356 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -30.245 0.174 11.141 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -28.886 0.029 12.237 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -29.630 2.684 10.920 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -30.314 2.182 12.454 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -27.309 1.983 12.207 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -27.979 3.599 12.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -27.645 2.652 14.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -29.300 2.904 14.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -28.650 1.338 14.150 1.00 0.00 H new ATOM 1109 N LYS A 77 -30.034 -2.277 9.128 1.00 0.00 N ATOM 1110 CA LYS A 77 -31.076 -2.726 8.157 1.00 0.00 C ATOM 1111 C LYS A 77 -32.395 -3.010 8.886 1.00 0.00 C ATOM 1112 O LYS A 77 -33.373 -3.288 8.213 1.00 0.00 O ATOM 1113 CB LYS A 77 -30.515 -4.005 7.526 1.00 0.00 C ATOM 1114 CG LYS A 77 -30.253 -5.060 8.610 1.00 0.00 C ATOM 1115 CD LYS A 77 -31.446 -6.014 8.695 1.00 0.00 C ATOM 1116 CE LYS A 77 -31.074 -7.221 9.557 1.00 0.00 C ATOM 1117 NZ LYS A 77 -30.291 -8.112 8.656 1.00 0.00 N ATOM 1118 OXT LYS A 77 -32.401 -2.943 10.104 1.00 0.00 O ATOM 0 H LYS A 77 -30.090 -2.708 10.051 1.00 0.00 H new ATOM 0 HA LYS A 77 -31.291 -1.968 7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -31.219 -4.395 6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -29.590 -3.782 6.995 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -29.345 -5.617 8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -30.093 -4.575 9.573 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -32.307 -5.500 9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -31.735 -6.342 7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -30.485 -6.920 10.424 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -31.963 -7.725 9.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -30.827 -8.986 8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -30.116 -7.626 7.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -29.383 -8.348 9.105 1.00 0.00 H new TER 1132 LYS A 77