USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 497 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 SER OG : rot -123:sc= 0.702 USER MOD Set 1.2: A 18 SER OG : rot 180:sc= 1.01 USER MOD Set 2.1: A 12 LYS NZ :NH3+ -167:sc= 0.98! (180deg=0.522) USER MOD Set 2.2: A 55 THR OG1 : rot 1:sc= 2.17 USER MOD Set 3.1: A 5 ASN : amide:sc= -2.77! C(o=-5.5!,f=-34!) USER MOD Set 3.2: A 7 LYS NZ :NH3+ -105:sc= -0.731! (180deg=-0.113) USER MOD Set 3.3: A 40 ASN : amide:sc= -1.96! C(o=-5.5!,f=-15!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0386 USER MOD Single : A 29 GLN : amide:sc= -1.54! C(o=-1.5!,f=-10!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0531 USER MOD Single : A 32 ASN : amide:sc= -0.0135 X(o=-0.014,f=-0.3) USER MOD Single : A 36 LYS NZ :NH3+ 159:sc= -0.368 (180deg=-1.37!) USER MOD Single : A 37 ASN : amide:sc= 1.16 K(o=1.2,f=-0.5) USER MOD Single : A 38 LYS NZ :NH3+ -165:sc=-0.00104 (180deg=-0.226) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -1.44 K(o=-1.4,f=-12!) USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= -0.135 (180deg=-0.191) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 -7.378 -3.433 7.166 1.00 0.00 N ATOM 71 CA ASN A 5 -6.328 -3.788 8.094 1.00 0.00 C ATOM 72 C ASN A 5 -5.082 -4.214 7.331 1.00 0.00 C ATOM 73 O ASN A 5 -5.133 -5.117 6.497 1.00 0.00 O ATOM 74 CB ASN A 5 -6.820 -4.930 8.988 1.00 0.00 C ATOM 75 CG ASN A 5 -6.373 -4.702 10.418 1.00 0.00 C ATOM 76 OD1 ASN A 5 -5.305 -5.167 10.819 1.00 0.00 O ATOM 77 ND2 ASN A 5 -7.127 -4.018 11.227 1.00 0.00 N ATOM 0 HA ASN A 5 -6.075 -2.926 8.712 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.907 -4.994 8.944 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.430 -5.881 8.624 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.834 -3.867 12.192 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.012 -3.632 10.896 1.00 0.00 H new ATOM 84 N LEU A 6 -3.982 -3.531 7.574 1.00 0.00 N ATOM 85 CA LEU A 6 -2.739 -3.790 6.861 1.00 0.00 C ATOM 86 C LEU A 6 -2.192 -5.197 7.125 1.00 0.00 C ATOM 87 O LEU A 6 -1.629 -5.826 6.229 1.00 0.00 O ATOM 88 CB LEU A 6 -1.699 -2.691 7.126 1.00 0.00 C ATOM 89 CG LEU A 6 -2.177 -1.378 6.455 1.00 0.00 C ATOM 90 CD1 LEU A 6 -1.312 -0.198 6.886 1.00 0.00 C ATOM 91 CD2 LEU A 6 -2.089 -1.508 4.934 1.00 0.00 C ATOM 0 H LEU A 6 -3.920 -2.784 8.266 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.969 -3.758 5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.572 -2.542 8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.728 -2.986 6.728 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.208 -1.203 6.763 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.668 0.711 6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.371 -0.079 7.968 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.277 -0.381 6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.427 -0.581 4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.056 -1.704 4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.721 -2.332 4.602 1.00 0.00 H new ATOM 103 N LYS A 7 -2.354 -5.701 8.341 1.00 0.00 N ATOM 104 CA LYS A 7 -1.871 -7.057 8.637 1.00 0.00 C ATOM 105 C LYS A 7 -2.567 -8.075 7.724 1.00 0.00 C ATOM 106 O LYS A 7 -1.934 -8.972 7.177 1.00 0.00 O ATOM 107 CB LYS A 7 -2.057 -7.414 10.128 1.00 0.00 C ATOM 108 CG LYS A 7 -3.541 -7.648 10.460 1.00 0.00 C ATOM 109 CD LYS A 7 -3.687 -7.905 11.973 1.00 0.00 C ATOM 110 CE LYS A 7 -5.139 -8.282 12.302 1.00 0.00 C ATOM 111 NZ LYS A 7 -6.026 -7.107 12.082 1.00 0.00 N ATOM 0 H LYS A 7 -2.800 -5.216 9.120 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.800 -7.090 8.437 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.482 -8.309 10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.664 -6.609 10.750 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.133 -6.781 10.167 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.923 -8.499 9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.015 -8.706 12.281 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.398 -7.015 12.531 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.460 -9.114 11.675 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.212 -8.616 13.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.300 -6.702 13.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.520 -6.390 11.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.879 -7.407 11.568 1.00 0.00 H new ATOM 125 N LEU A 8 -3.827 -7.810 7.418 1.00 0.00 N ATOM 126 CA LEU A 8 -4.564 -8.609 6.441 1.00 0.00 C ATOM 127 C LEU A 8 -3.904 -8.498 5.082 1.00 0.00 C ATOM 128 O LEU A 8 -3.760 -9.485 4.370 1.00 0.00 O ATOM 129 CB LEU A 8 -6.035 -8.176 6.369 1.00 0.00 C ATOM 130 CG LEU A 8 -6.858 -8.879 7.472 1.00 0.00 C ATOM 131 CD1 LEU A 8 -7.241 -10.287 7.016 1.00 0.00 C ATOM 132 CD2 LEU A 8 -6.061 -8.978 8.778 1.00 0.00 C ATOM 0 H LEU A 8 -4.365 -7.048 7.830 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.543 -9.651 6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.109 -7.095 6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.445 -8.420 5.389 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.755 -8.286 7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.821 -10.777 7.798 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.838 -10.225 6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.337 -10.864 6.819 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.665 -9.477 9.536 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.150 -9.550 8.606 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.801 -7.977 9.122 1.00 0.00 H new ATOM 144 N ILE A 9 -3.424 -7.310 4.767 1.00 0.00 N ATOM 145 CA ILE A 9 -2.700 -7.103 3.528 1.00 0.00 C ATOM 146 C ILE A 9 -1.455 -7.967 3.550 1.00 0.00 C ATOM 147 O ILE A 9 -1.155 -8.672 2.582 1.00 0.00 O ATOM 148 CB ILE A 9 -2.316 -5.625 3.375 1.00 0.00 C ATOM 149 CG1 ILE A 9 -3.571 -4.746 3.491 1.00 0.00 C ATOM 150 CG2 ILE A 9 -1.623 -5.388 2.028 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.592 -5.120 2.416 1.00 0.00 C ATOM 0 H ILE A 9 -3.522 -6.478 5.349 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.329 -7.378 2.682 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.620 -5.358 4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.015 -4.866 4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.297 -3.696 3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.357 -4.335 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.720 -5.996 1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.298 -5.664 1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.473 -4.486 2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.151 -4.976 1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.881 -6.164 2.536 1.00 0.00 H new ATOM 163 N ARG A 10 -0.791 -7.985 4.691 1.00 0.00 N ATOM 164 CA ARG A 10 0.364 -8.843 4.874 1.00 0.00 C ATOM 165 C ARG A 10 -0.053 -10.290 4.617 1.00 0.00 C ATOM 166 O ARG A 10 0.625 -11.026 3.899 1.00 0.00 O ATOM 167 CB ARG A 10 0.887 -8.697 6.313 1.00 0.00 C ATOM 168 CG ARG A 10 2.242 -9.410 6.474 1.00 0.00 C ATOM 169 CD ARG A 10 3.407 -8.396 6.553 1.00 0.00 C ATOM 170 NE ARG A 10 2.930 -7.012 6.754 1.00 0.00 N ATOM 171 CZ ARG A 10 2.496 -6.565 7.946 1.00 0.00 C ATOM 172 NH1 ARG A 10 2.443 -7.372 8.966 1.00 0.00 N ATOM 173 NH2 ARG A 10 2.109 -5.320 8.074 1.00 0.00 N ATOM 0 H ARG A 10 -1.031 -7.416 5.503 1.00 0.00 H new ATOM 0 HA ARG A 10 1.155 -8.560 4.179 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.994 -7.641 6.561 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.164 -9.117 7.012 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.228 -10.022 7.376 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.402 -10.085 5.633 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.072 -8.672 7.372 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.993 -8.447 5.636 1.00 0.00 H new ATOM 0 HE ARG A 10 2.930 -6.372 5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.731 -8.345 8.862 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.114 -7.031 9.869 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.137 -4.692 7.271 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.779 -4.979 8.977 1.00 0.00 H new ATOM 187 N GLU A 11 -1.197 -10.676 5.164 1.00 0.00 N ATOM 188 CA GLU A 11 -1.732 -12.012 4.939 1.00 0.00 C ATOM 189 C GLU A 11 -2.140 -12.184 3.485 1.00 0.00 C ATOM 190 O GLU A 11 -1.877 -13.221 2.869 1.00 0.00 O ATOM 191 CB GLU A 11 -2.925 -12.276 5.854 1.00 0.00 C ATOM 192 CG GLU A 11 -2.452 -12.279 7.308 1.00 0.00 C ATOM 193 CD GLU A 11 -1.427 -13.377 7.510 1.00 0.00 C ATOM 194 OE1 GLU A 11 -1.731 -14.502 7.191 1.00 0.00 O ATOM 195 OE2 GLU A 11 -0.353 -13.078 7.979 1.00 0.00 O ATOM 0 H GLU A 11 -1.771 -10.085 5.765 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.950 -12.735 5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.687 -11.510 5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.384 -13.233 5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.018 -11.312 7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.300 -12.432 7.976 1.00 0.00 H new ATOM 202 N LYS A 12 -2.723 -11.142 2.919 1.00 0.00 N ATOM 203 CA LYS A 12 -3.117 -11.150 1.525 1.00 0.00 C ATOM 204 C LYS A 12 -1.898 -11.372 0.656 1.00 0.00 C ATOM 205 O LYS A 12 -1.940 -12.139 -0.304 1.00 0.00 O ATOM 206 CB LYS A 12 -3.777 -9.815 1.169 1.00 0.00 C ATOM 207 CG LYS A 12 -4.245 -9.817 -0.295 1.00 0.00 C ATOM 208 CD LYS A 12 -4.854 -8.452 -0.642 1.00 0.00 C ATOM 209 CE LYS A 12 -3.781 -7.361 -0.466 1.00 0.00 C ATOM 210 NZ LYS A 12 -3.898 -6.344 -1.542 1.00 0.00 N ATOM 0 H LYS A 12 -2.935 -10.273 3.410 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.830 -11.956 1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.627 -9.636 1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.071 -9.000 1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.405 -10.030 -0.956 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.981 -10.605 -0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.223 -8.455 -1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.708 -8.247 0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.894 -6.884 0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.788 -7.811 -0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.049 -5.744 -1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.990 -6.821 -2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.738 -5.754 -1.373 1.00 0.00 H new ATOM 224 N LYS A 13 -0.816 -10.687 0.987 1.00 0.00 N ATOM 225 CA LYS A 13 0.412 -10.809 0.218 1.00 0.00 C ATOM 226 C LYS A 13 1.132 -12.123 0.511 1.00 0.00 C ATOM 227 O LYS A 13 2.046 -12.505 -0.218 1.00 0.00 O ATOM 228 CB LYS A 13 1.348 -9.620 0.464 1.00 0.00 C ATOM 229 CG LYS A 13 0.684 -8.298 0.015 1.00 0.00 C ATOM 230 CD LYS A 13 0.321 -8.345 -1.485 1.00 0.00 C ATOM 231 CE LYS A 13 1.519 -7.923 -2.342 1.00 0.00 C ATOM 232 NZ LYS A 13 1.508 -8.683 -3.611 1.00 0.00 N ATOM 0 H LYS A 13 -0.762 -10.045 1.778 1.00 0.00 H new ATOM 0 HA LYS A 13 0.128 -10.808 -0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.602 -9.564 1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.281 -9.767 -0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.215 -8.119 0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.360 -7.464 0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.009 -9.353 -1.758 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.524 -7.685 -1.681 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.475 -6.853 -2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.448 -8.107 -1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.321 -8.397 -4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.569 -9.701 -3.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.626 -8.486 -4.126 1.00 0.00 H new ATOM 246 N LYS A 14 0.703 -12.820 1.553 1.00 0.00 N ATOM 247 CA LYS A 14 1.295 -14.109 1.925 1.00 0.00 C ATOM 248 C LYS A 14 2.821 -13.996 2.013 1.00 0.00 C ATOM 249 O LYS A 14 3.541 -14.386 1.084 1.00 0.00 O ATOM 250 CB LYS A 14 0.896 -15.226 0.920 1.00 0.00 C ATOM 251 CG LYS A 14 -0.277 -14.776 0.020 1.00 0.00 C ATOM 252 CD LYS A 14 -0.807 -15.980 -0.778 1.00 0.00 C ATOM 253 CE LYS A 14 -1.918 -15.529 -1.743 1.00 0.00 C ATOM 254 NZ LYS A 14 -1.309 -15.004 -3.000 1.00 0.00 N ATOM 0 H LYS A 14 -0.057 -12.517 2.163 1.00 0.00 H new ATOM 0 HA LYS A 14 0.905 -14.382 2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.755 -15.485 0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.614 -16.126 1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.075 -14.352 0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.054 -13.993 -0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.006 -16.441 -1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.193 -16.737 -0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.578 -16.366 -1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.530 -14.758 -1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.062 -14.700 -3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.696 -14.194 -2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.744 -15.752 -3.451 1.00 0.00 H new ATOM 268 N ILE A 15 3.307 -13.406 3.098 1.00 0.00 N ATOM 269 CA ILE A 15 4.741 -13.168 3.260 1.00 0.00 C ATOM 270 C ILE A 15 5.324 -14.096 4.315 1.00 0.00 C ATOM 271 O ILE A 15 4.925 -14.039 5.487 1.00 0.00 O ATOM 272 CB ILE A 15 4.960 -11.703 3.680 1.00 0.00 C ATOM 273 CG1 ILE A 15 4.353 -10.786 2.614 1.00 0.00 C ATOM 274 CG2 ILE A 15 6.465 -11.402 3.812 1.00 0.00 C ATOM 275 CD1 ILE A 15 4.368 -9.348 3.104 1.00 0.00 C ATOM 0 H ILE A 15 2.734 -13.084 3.878 1.00 0.00 H new ATOM 0 HA ILE A 15 5.244 -13.366 2.314 1.00 0.00 H new ATOM 0 HB ILE A 15 4.481 -11.531 4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.917 -10.869 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.331 -11.095 2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.603 -10.363 4.109 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.902 -12.057 4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.956 -11.574 2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.935 -8.700 2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.784 -9.270 4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.395 -9.041 3.301 1.00 0.00 H new ATOM 287 N SER A 16 6.323 -14.878 3.939 1.00 0.00 N ATOM 288 CA SER A 16 6.993 -15.737 4.897 1.00 0.00 C ATOM 289 C SER A 16 7.768 -14.882 5.883 1.00 0.00 C ATOM 290 O SER A 16 8.216 -13.786 5.537 1.00 0.00 O ATOM 291 CB SER A 16 7.935 -16.718 4.181 1.00 0.00 C ATOM 292 OG SER A 16 8.715 -17.445 5.141 1.00 0.00 O ATOM 0 H SER A 16 6.684 -14.935 2.987 1.00 0.00 H new ATOM 0 HA SER A 16 6.246 -16.321 5.435 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.355 -17.412 3.572 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.593 -16.173 3.504 1.00 0.00 H new ATOM 0 HG SER A 16 9.668 -17.314 4.955 1.00 0.00 H new ATOM 298 N GLN A 17 7.978 -15.387 7.087 1.00 0.00 N ATOM 299 CA GLN A 17 8.747 -14.644 8.065 1.00 0.00 C ATOM 300 C GLN A 17 10.149 -14.406 7.524 1.00 0.00 C ATOM 301 O GLN A 17 10.721 -13.331 7.700 1.00 0.00 O ATOM 302 CB GLN A 17 8.786 -15.375 9.407 1.00 0.00 C ATOM 303 CG GLN A 17 7.385 -15.351 10.026 1.00 0.00 C ATOM 304 CD GLN A 17 7.391 -16.093 11.352 1.00 0.00 C ATOM 305 OE1 GLN A 17 7.572 -17.317 11.381 1.00 0.00 O ATOM 306 NE2 GLN A 17 7.225 -15.433 12.451 1.00 0.00 N ATOM 0 H GLN A 17 7.633 -16.293 7.405 1.00 0.00 H new ATOM 0 HA GLN A 17 8.267 -13.681 8.241 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.118 -16.404 9.266 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.502 -14.897 10.076 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.063 -14.321 10.178 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.669 -15.812 9.345 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.076 -14.424 12.423 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.243 -15.921 13.347 1.00 0.00 H new ATOM 315 N SER A 18 10.619 -15.347 6.728 1.00 0.00 N ATOM 316 CA SER A 18 11.879 -15.186 6.028 1.00 0.00 C ATOM 317 C SER A 18 11.809 -13.949 5.138 1.00 0.00 C ATOM 318 O SER A 18 12.715 -13.112 5.135 1.00 0.00 O ATOM 319 CB SER A 18 12.123 -16.422 5.164 1.00 0.00 C ATOM 320 OG SER A 18 10.892 -16.801 4.528 1.00 0.00 O ATOM 0 H SER A 18 10.146 -16.233 6.550 1.00 0.00 H new ATOM 0 HA SER A 18 12.691 -15.068 6.745 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.885 -16.212 4.413 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.497 -17.242 5.777 1.00 0.00 H new ATOM 0 HG SER A 18 11.042 -17.593 3.971 1.00 0.00 H new ATOM 326 N GLU A 19 10.694 -13.806 4.448 1.00 0.00 N ATOM 327 CA GLU A 19 10.446 -12.640 3.619 1.00 0.00 C ATOM 328 C GLU A 19 10.242 -11.424 4.515 1.00 0.00 C ATOM 329 O GLU A 19 10.705 -10.321 4.219 1.00 0.00 O ATOM 330 CB GLU A 19 9.210 -12.870 2.766 1.00 0.00 C ATOM 331 CG GLU A 19 9.456 -14.044 1.824 1.00 0.00 C ATOM 332 CD GLU A 19 8.243 -14.250 0.960 1.00 0.00 C ATOM 333 OE1 GLU A 19 8.010 -13.425 0.108 1.00 0.00 O ATOM 334 OE2 GLU A 19 7.543 -15.213 1.175 1.00 0.00 O ATOM 0 H GLU A 19 9.938 -14.490 4.445 1.00 0.00 H new ATOM 0 HA GLU A 19 11.299 -12.468 2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.349 -13.074 3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.978 -11.972 2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.330 -13.850 1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.666 -14.947 2.397 1.00 0.00 H new ATOM 341 N LEU A 20 9.582 -11.654 5.639 1.00 0.00 N ATOM 342 CA LEU A 20 9.330 -10.603 6.617 1.00 0.00 C ATOM 343 C LEU A 20 10.665 -10.071 7.105 1.00 0.00 C ATOM 344 O LEU A 20 10.862 -8.865 7.241 1.00 0.00 O ATOM 345 CB LEU A 20 8.506 -11.158 7.801 1.00 0.00 C ATOM 346 CG LEU A 20 8.180 -10.040 8.802 1.00 0.00 C ATOM 347 CD1 LEU A 20 7.325 -8.967 8.129 1.00 0.00 C ATOM 348 CD2 LEU A 20 7.422 -10.621 9.998 1.00 0.00 C ATOM 0 H LEU A 20 9.208 -12.566 5.900 1.00 0.00 H new ATOM 0 HA LEU A 20 8.757 -9.798 6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.582 -11.604 7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.064 -11.950 8.301 1.00 0.00 H new ATOM 0 HG LEU A 20 9.112 -9.591 9.146 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.099 -8.179 8.847 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.870 -8.544 7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.395 -9.412 7.774 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.193 -9.824 10.706 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.494 -11.078 9.654 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.038 -11.375 10.488 1.00 0.00 H new ATOM 360 N ALA A 21 11.603 -10.978 7.298 1.00 0.00 N ATOM 361 CA ALA A 21 12.950 -10.595 7.689 1.00 0.00 C ATOM 362 C ALA A 21 13.498 -9.568 6.704 1.00 0.00 C ATOM 363 O ALA A 21 14.134 -8.589 7.106 1.00 0.00 O ATOM 364 CB ALA A 21 13.863 -11.821 7.711 1.00 0.00 C ATOM 0 H ALA A 21 11.460 -11.982 7.191 1.00 0.00 H new ATOM 0 HA ALA A 21 12.917 -10.160 8.688 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.869 -11.521 8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.478 -12.549 8.425 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.894 -12.269 6.718 1.00 0.00 H new ATOM 370 N ALA A 22 13.178 -9.756 5.422 1.00 0.00 N ATOM 371 CA ALA A 22 13.562 -8.797 4.390 1.00 0.00 C ATOM 372 C ALA A 22 12.857 -7.469 4.637 1.00 0.00 C ATOM 373 O ALA A 22 13.456 -6.398 4.540 1.00 0.00 O ATOM 374 CB ALA A 22 13.199 -9.329 2.998 1.00 0.00 C ATOM 0 H ALA A 22 12.656 -10.561 5.077 1.00 0.00 H new ATOM 0 HA ALA A 22 14.641 -8.649 4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.493 -8.601 2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.722 -10.268 2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.123 -9.497 2.942 1.00 0.00 H new ATOM 380 N LEU A 23 11.602 -7.551 5.024 1.00 0.00 N ATOM 381 CA LEU A 23 10.852 -6.361 5.394 1.00 0.00 C ATOM 382 C LEU A 23 11.486 -5.745 6.631 1.00 0.00 C ATOM 383 O LEU A 23 11.585 -4.529 6.759 1.00 0.00 O ATOM 384 CB LEU A 23 9.393 -6.722 5.702 1.00 0.00 C ATOM 385 CG LEU A 23 8.682 -7.199 4.430 1.00 0.00 C ATOM 386 CD1 LEU A 23 7.286 -7.716 4.781 1.00 0.00 C ATOM 387 CD2 LEU A 23 8.559 -6.042 3.436 1.00 0.00 C ATOM 0 H LEU A 23 11.078 -8.423 5.092 1.00 0.00 H new ATOM 0 HA LEU A 23 10.872 -5.654 4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.357 -7.503 6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.876 -5.855 6.112 1.00 0.00 H new ATOM 0 HG LEU A 23 9.265 -8.002 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.784 -8.054 3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.371 -8.548 5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.706 -6.915 5.239 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.053 -6.389 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.983 -5.234 3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.553 -5.678 3.176 1.00 0.00 H new ATOM 399 N LEU A 24 11.876 -6.611 7.552 1.00 0.00 N ATOM 400 CA LEU A 24 12.419 -6.210 8.841 1.00 0.00 C ATOM 401 C LEU A 24 13.918 -5.967 8.832 1.00 0.00 C ATOM 402 O LEU A 24 14.536 -5.886 9.897 1.00 0.00 O ATOM 403 CB LEU A 24 12.019 -7.191 9.947 1.00 0.00 C ATOM 404 CG LEU A 24 10.558 -6.931 10.342 1.00 0.00 C ATOM 405 CD1 LEU A 24 10.054 -8.041 11.261 1.00 0.00 C ATOM 406 CD2 LEU A 24 10.460 -5.581 11.074 1.00 0.00 C ATOM 0 H LEU A 24 11.824 -7.622 7.425 1.00 0.00 H new ATOM 0 HA LEU A 24 11.967 -5.242 9.058 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.138 -8.218 9.601 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.670 -7.069 10.812 1.00 0.00 H new ATOM 0 HG LEU A 24 9.945 -6.910 9.441 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.017 -7.845 11.534 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.118 -8.999 10.744 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.666 -8.073 12.162 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.424 -5.394 11.355 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.080 -5.607 11.970 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.807 -4.784 10.416 1.00 0.00 H new ATOM 418 N GLU A 25 14.502 -5.792 7.652 1.00 0.00 N ATOM 419 CA GLU A 25 15.921 -5.441 7.572 1.00 0.00 C ATOM 420 C GLU A 25 16.181 -4.134 8.317 1.00 0.00 C ATOM 421 O GLU A 25 17.328 -3.756 8.547 1.00 0.00 O ATOM 422 CB GLU A 25 16.402 -5.327 6.126 1.00 0.00 C ATOM 423 CG GLU A 25 16.388 -6.709 5.473 1.00 0.00 C ATOM 424 CD GLU A 25 17.114 -6.661 4.154 1.00 0.00 C ATOM 425 OE1 GLU A 25 18.293 -6.400 4.173 1.00 0.00 O ATOM 426 OE2 GLU A 25 16.495 -6.890 3.142 1.00 0.00 O ATOM 0 H GLU A 25 14.029 -5.884 6.753 1.00 0.00 H new ATOM 0 HA GLU A 25 16.485 -6.246 8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 25 15.759 -4.644 5.571 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.409 -4.910 6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.861 -7.437 6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.360 -7.038 5.320 1.00 0.00 H new ATOM 433 N VAL A 26 15.107 -3.472 8.708 1.00 0.00 N ATOM 434 CA VAL A 26 15.175 -2.250 9.488 1.00 0.00 C ATOM 435 C VAL A 26 14.836 -2.569 10.932 1.00 0.00 C ATOM 436 O VAL A 26 14.508 -3.712 11.259 1.00 0.00 O ATOM 437 CB VAL A 26 14.185 -1.211 8.936 1.00 0.00 C ATOM 438 CG1 VAL A 26 14.691 -0.686 7.595 1.00 0.00 C ATOM 439 CG2 VAL A 26 12.807 -1.859 8.721 1.00 0.00 C ATOM 0 H VAL A 26 14.156 -3.770 8.491 1.00 0.00 H new ATOM 0 HA VAL A 26 16.181 -1.836 9.427 1.00 0.00 H new ATOM 0 HB VAL A 26 14.099 -0.393 9.652 1.00 0.00 H new ATOM 0 HG11 VAL A 26 13.989 0.050 7.204 1.00 0.00 H new ATOM 0 HG12 VAL A 26 15.667 -0.220 7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 26 14.779 -1.513 6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.112 -1.116 8.330 1.00 0.00 H new ATOM 0 HG22 VAL A 26 12.898 -2.680 8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 26 12.433 -2.241 9.671 1.00 0.00 H new ATOM 449 N SER A 27 14.943 -1.590 11.796 1.00 0.00 N ATOM 450 CA SER A 27 14.695 -1.818 13.207 1.00 0.00 C ATOM 451 C SER A 27 13.305 -2.436 13.398 1.00 0.00 C ATOM 452 O SER A 27 12.320 -1.971 12.816 1.00 0.00 O ATOM 453 CB SER A 27 14.801 -0.493 13.964 1.00 0.00 C ATOM 454 OG SER A 27 15.858 0.292 13.390 1.00 0.00 O ATOM 0 H SER A 27 15.198 -0.632 11.554 1.00 0.00 H new ATOM 0 HA SER A 27 15.439 -2.510 13.601 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.857 0.049 13.908 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.000 -0.678 15.020 1.00 0.00 H new ATOM 0 HG SER A 27 15.930 1.144 13.869 1.00 0.00 H new ATOM 460 N ARG A 28 13.244 -3.506 14.175 1.00 0.00 N ATOM 461 CA ARG A 28 11.992 -4.234 14.404 1.00 0.00 C ATOM 462 C ARG A 28 11.085 -3.445 15.345 1.00 0.00 C ATOM 463 O ARG A 28 9.927 -3.824 15.570 1.00 0.00 O ATOM 464 CB ARG A 28 12.267 -5.602 15.057 1.00 0.00 C ATOM 465 CG ARG A 28 13.577 -6.249 14.550 1.00 0.00 C ATOM 466 CD ARG A 28 13.376 -6.961 13.203 1.00 0.00 C ATOM 467 NE ARG A 28 14.170 -8.198 13.191 1.00 0.00 N ATOM 468 CZ ARG A 28 15.074 -8.501 12.243 1.00 0.00 C ATOM 469 NH1 ARG A 28 15.268 -7.708 11.229 1.00 0.00 N ATOM 470 NH2 ARG A 28 15.762 -9.602 12.342 1.00 0.00 N ATOM 0 H ARG A 28 14.050 -3.897 14.664 1.00 0.00 H new ATOM 0 HA ARG A 28 11.512 -4.371 13.435 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.321 -5.480 16.139 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.432 -6.272 14.853 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.345 -5.482 14.445 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.939 -6.964 15.289 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.321 -7.190 13.052 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.681 -6.310 12.384 1.00 0.00 H new ATOM 0 HE ARG A 28 14.026 -8.867 13.948 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.731 -6.845 11.147 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.957 -7.950 10.517 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.613 -10.227 13.134 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.450 -9.840 11.627 1.00 0.00 H new ATOM 484 N GLN A 29 11.694 -2.516 16.069 1.00 0.00 N ATOM 485 CA GLN A 29 11.053 -1.858 17.212 1.00 0.00 C ATOM 486 C GLN A 29 9.596 -1.491 16.943 1.00 0.00 C ATOM 487 O GLN A 29 8.747 -1.649 17.821 1.00 0.00 O ATOM 488 CB GLN A 29 11.823 -0.589 17.652 1.00 0.00 C ATOM 489 CG GLN A 29 13.205 -0.504 16.982 1.00 0.00 C ATOM 490 CD GLN A 29 14.057 -1.712 17.342 1.00 0.00 C ATOM 491 OE1 GLN A 29 14.235 -2.605 16.511 1.00 0.00 O ATOM 492 NE2 GLN A 29 14.580 -1.804 18.526 1.00 0.00 N ATOM 0 H GLN A 29 12.644 -2.194 15.886 1.00 0.00 H new ATOM 0 HA GLN A 29 11.077 -2.592 18.018 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.240 0.297 17.399 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.943 -0.593 18.735 1.00 0.00 H new ATOM 0 HG2 GLN A 29 13.086 -0.447 15.900 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.710 0.409 17.296 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.429 -1.062 19.209 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.142 -2.618 18.773 1.00 0.00 H new ATOM 501 N THR A 30 9.310 -0.965 15.772 1.00 0.00 N ATOM 502 CA THR A 30 7.955 -0.535 15.476 1.00 0.00 C ATOM 503 C THR A 30 6.977 -1.714 15.534 1.00 0.00 C ATOM 504 O THR A 30 6.023 -1.693 16.311 1.00 0.00 O ATOM 505 CB THR A 30 7.910 0.169 14.117 1.00 0.00 C ATOM 506 OG1 THR A 30 8.787 -0.500 13.209 1.00 0.00 O ATOM 507 CG2 THR A 30 8.366 1.625 14.287 1.00 0.00 C ATOM 0 H THR A 30 9.983 -0.825 15.018 1.00 0.00 H new ATOM 0 HA THR A 30 7.642 0.179 16.238 1.00 0.00 H new ATOM 0 HB THR A 30 6.893 0.147 13.725 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.759 -0.053 12.338 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.336 2.131 13.322 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.702 2.135 14.985 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.384 1.644 14.675 1.00 0.00 H new ATOM 515 N ILE A 31 7.307 -2.795 14.838 1.00 0.00 N ATOM 516 CA ILE A 31 6.531 -4.027 14.942 1.00 0.00 C ATOM 517 C ILE A 31 6.619 -4.600 16.346 1.00 0.00 C ATOM 518 O ILE A 31 5.626 -5.061 16.900 1.00 0.00 O ATOM 519 CB ILE A 31 6.945 -5.057 13.883 1.00 0.00 C ATOM 520 CG1 ILE A 31 6.517 -4.549 12.506 1.00 0.00 C ATOM 521 CG2 ILE A 31 6.249 -6.397 14.151 1.00 0.00 C ATOM 522 CD1 ILE A 31 7.160 -5.402 11.407 1.00 0.00 C ATOM 0 H ILE A 31 8.101 -2.845 14.199 1.00 0.00 H new ATOM 0 HA ILE A 31 5.488 -3.779 14.744 1.00 0.00 H new ATOM 0 HB ILE A 31 8.025 -5.197 13.921 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.431 -4.586 12.417 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.811 -3.506 12.387 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.550 -7.121 13.394 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.534 -6.764 15.137 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.168 -6.260 14.113 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.849 -5.032 10.430 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.245 -5.343 11.489 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.844 -6.439 11.520 1.00 0.00 H new ATOM 534 N ASN A 32 7.814 -4.599 16.909 1.00 0.00 N ATOM 535 CA ASN A 32 7.993 -5.137 18.250 1.00 0.00 C ATOM 536 C ASN A 32 7.155 -4.339 19.243 1.00 0.00 C ATOM 537 O ASN A 32 6.573 -4.894 20.181 1.00 0.00 O ATOM 538 CB ASN A 32 9.468 -5.111 18.664 1.00 0.00 C ATOM 539 CG ASN A 32 9.624 -5.738 20.047 1.00 0.00 C ATOM 540 OD1 ASN A 32 9.452 -5.062 21.060 1.00 0.00 O ATOM 541 ND2 ASN A 32 9.934 -6.994 20.151 1.00 0.00 N ATOM 0 H ASN A 32 8.662 -4.239 16.471 1.00 0.00 H new ATOM 0 HA ASN A 32 7.662 -6.175 18.250 1.00 0.00 H new ATOM 0 HB2 ASN A 32 10.070 -5.656 17.937 1.00 0.00 H new ATOM 0 HB3 ASN A 32 9.835 -4.085 18.676 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.035 -7.420 21.072 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.077 -7.555 19.311 1.00 0.00 H new ATOM 548 N GLY A 33 7.111 -3.030 19.041 1.00 0.00 N ATOM 549 CA GLY A 33 6.373 -2.127 19.918 1.00 0.00 C ATOM 550 C GLY A 33 4.929 -1.907 19.453 1.00 0.00 C ATOM 551 O GLY A 33 4.372 -0.818 19.650 1.00 0.00 O ATOM 0 H GLY A 33 7.584 -2.563 18.267 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.368 -2.532 20.930 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.887 -1.167 19.962 1.00 0.00 H new ATOM 555 N ILE A 34 4.298 -2.944 18.898 1.00 0.00 N ATOM 556 CA ILE A 34 2.890 -2.841 18.494 1.00 0.00 C ATOM 557 C ILE A 34 1.936 -2.949 19.680 1.00 0.00 C ATOM 558 O ILE A 34 0.772 -2.601 19.568 1.00 0.00 O ATOM 559 CB ILE A 34 2.512 -3.830 17.366 1.00 0.00 C ATOM 560 CG1 ILE A 34 2.917 -5.270 17.733 1.00 0.00 C ATOM 561 CG2 ILE A 34 3.172 -3.402 16.045 1.00 0.00 C ATOM 562 CD1 ILE A 34 2.893 -6.158 16.474 1.00 0.00 C ATOM 0 H ILE A 34 4.729 -3.851 18.719 1.00 0.00 H new ATOM 0 HA ILE A 34 2.775 -1.840 18.079 1.00 0.00 H new ATOM 0 HB ILE A 34 1.429 -3.810 17.241 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.914 -5.276 18.174 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.234 -5.669 18.483 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.899 -4.105 15.258 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.830 -2.403 15.774 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.255 -3.394 16.165 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.180 -7.175 16.741 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.888 -6.164 16.052 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.594 -5.764 15.738 1.00 0.00 H new ATOM 574 N GLU A 35 2.416 -3.505 20.782 1.00 0.00 N ATOM 575 CA GLU A 35 1.578 -3.753 21.963 1.00 0.00 C ATOM 576 C GLU A 35 0.652 -2.562 22.243 1.00 0.00 C ATOM 577 O GLU A 35 -0.572 -2.691 22.185 1.00 0.00 O ATOM 578 CB GLU A 35 2.484 -3.962 23.178 1.00 0.00 C ATOM 579 CG GLU A 35 3.392 -5.175 22.948 1.00 0.00 C ATOM 580 CD GLU A 35 2.601 -6.467 22.918 1.00 0.00 C ATOM 581 OE1 GLU A 35 1.526 -6.504 23.480 1.00 0.00 O ATOM 582 OE2 GLU A 35 3.100 -7.419 22.358 1.00 0.00 O ATOM 0 H GLU A 35 3.387 -3.797 20.891 1.00 0.00 H new ATOM 0 HA GLU A 35 0.967 -4.636 21.774 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.089 -3.071 23.349 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.879 -4.114 24.072 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.929 -5.055 22.007 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.141 -5.225 23.738 1.00 0.00 H new ATOM 589 N LYS A 36 1.239 -1.404 22.505 1.00 0.00 N ATOM 590 CA LYS A 36 0.468 -0.187 22.758 1.00 0.00 C ATOM 591 C LYS A 36 0.090 0.481 21.451 1.00 0.00 C ATOM 592 O LYS A 36 -0.818 1.308 21.397 1.00 0.00 O ATOM 593 CB LYS A 36 1.288 0.785 23.604 1.00 0.00 C ATOM 594 CG LYS A 36 1.466 0.224 25.019 1.00 0.00 C ATOM 595 CD LYS A 36 2.373 1.159 25.830 1.00 0.00 C ATOM 596 CE LYS A 36 1.611 2.435 26.220 1.00 0.00 C ATOM 597 NZ LYS A 36 0.258 2.093 26.718 1.00 0.00 N ATOM 0 H LYS A 36 2.250 -1.277 22.549 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.440 -0.460 23.295 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.262 0.949 23.143 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.789 1.753 23.647 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.497 0.126 25.508 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.902 -0.774 24.974 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.724 0.649 26.727 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.255 1.419 25.245 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.163 2.976 26.989 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.532 3.098 25.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.108 2.877 27.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.378 1.931 25.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.309 1.231 27.297 1.00 0.00 H new ATOM 611 N ASN A 37 0.791 0.107 20.403 1.00 0.00 N ATOM 612 CA ASN A 37 0.557 0.642 19.072 1.00 0.00 C ATOM 613 C ASN A 37 -0.392 -0.246 18.297 1.00 0.00 C ATOM 614 O ASN A 37 -0.352 -0.278 17.076 1.00 0.00 O ATOM 615 CB ASN A 37 1.874 0.862 18.306 1.00 0.00 C ATOM 616 CG ASN A 37 2.670 1.979 18.966 1.00 0.00 C ATOM 617 OD1 ASN A 37 2.141 3.077 19.178 1.00 0.00 O ATOM 618 ND2 ASN A 37 3.901 1.771 19.324 1.00 0.00 N ATOM 0 H ASN A 37 1.544 -0.580 20.446 1.00 0.00 H new ATOM 0 HA ASN A 37 0.088 1.620 19.185 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.459 -0.058 18.297 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.664 1.117 17.267 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.432 2.513 19.780 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.337 0.866 19.149 1.00 0.00 H new ATOM 625 N LYS A 38 -1.128 -1.090 19.024 1.00 0.00 N ATOM 626 CA LYS A 38 -1.991 -2.112 18.424 1.00 0.00 C ATOM 627 C LYS A 38 -2.939 -1.524 17.365 1.00 0.00 C ATOM 628 O LYS A 38 -3.584 -2.269 16.612 1.00 0.00 O ATOM 629 CB LYS A 38 -2.760 -2.886 19.498 1.00 0.00 C ATOM 630 CG LYS A 38 -2.704 -4.395 19.194 1.00 0.00 C ATOM 631 CD LYS A 38 -1.300 -4.940 19.518 1.00 0.00 C ATOM 632 CE LYS A 38 -1.243 -6.454 19.251 1.00 0.00 C ATOM 633 NZ LYS A 38 -2.069 -7.168 20.258 1.00 0.00 N ATOM 0 H LYS A 38 -1.143 -1.085 20.044 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.340 -2.816 17.906 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.331 -2.687 20.480 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.797 -2.550 19.529 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.454 -4.922 19.784 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.940 -4.573 18.145 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.554 -4.428 18.910 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.055 -4.738 20.561 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.608 -6.671 18.247 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.212 -6.803 19.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.836 -8.181 20.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.874 -6.782 21.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.077 -7.042 20.033 1.00 0.00 H new ATOM 647 N TYR A 39 -2.918 -0.206 17.224 1.00 0.00 N ATOM 648 CA TYR A 39 -3.603 0.451 16.121 1.00 0.00 C ATOM 649 C TYR A 39 -2.995 -0.091 14.840 1.00 0.00 C ATOM 650 O TYR A 39 -1.872 -0.597 14.858 1.00 0.00 O ATOM 651 CB TYR A 39 -3.341 1.965 16.168 1.00 0.00 C ATOM 652 CG TYR A 39 -3.992 2.591 17.382 1.00 0.00 C ATOM 653 CD1 TYR A 39 -3.385 2.482 18.639 1.00 0.00 C ATOM 654 CD2 TYR A 39 -5.191 3.301 17.245 1.00 0.00 C ATOM 655 CE1 TYR A 39 -3.975 3.079 19.751 1.00 0.00 C ATOM 656 CE2 TYR A 39 -5.783 3.897 18.362 1.00 0.00 C ATOM 657 CZ TYR A 39 -5.172 3.785 19.616 1.00 0.00 C ATOM 658 OH TYR A 39 -5.741 4.387 20.722 1.00 0.00 O ATOM 0 H TYR A 39 -2.434 0.429 17.859 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.676 0.269 16.178 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.267 2.151 16.190 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.727 2.433 15.262 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.460 1.935 18.747 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -5.659 3.388 16.275 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.505 2.995 20.720 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.709 4.442 18.258 1.00 0.00 H new ATOM 0 HH TYR A 39 -6.570 4.839 20.458 1.00 0.00 H new ATOM 668 N ASN A 40 -3.697 -0.006 13.736 1.00 0.00 N ATOM 669 CA ASN A 40 -3.120 -0.514 12.505 1.00 0.00 C ATOM 670 C ASN A 40 -1.863 0.268 12.177 1.00 0.00 C ATOM 671 O ASN A 40 -1.746 1.446 12.538 1.00 0.00 O ATOM 672 CB ASN A 40 -4.106 -0.470 11.340 1.00 0.00 C ATOM 673 CG ASN A 40 -4.228 -1.860 10.737 1.00 0.00 C ATOM 674 OD1 ASN A 40 -4.053 -2.038 9.531 1.00 0.00 O ATOM 675 ND2 ASN A 40 -4.501 -2.868 11.508 1.00 0.00 N ATOM 0 H ASN A 40 -4.633 0.393 13.658 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.869 -1.563 12.659 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.080 -0.123 11.685 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.765 0.238 10.585 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.570 -3.807 11.115 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.646 -2.721 12.507 1.00 0.00 H new ATOM 682 N PRO A 41 -0.892 -0.369 11.577 1.00 0.00 N ATOM 683 CA PRO A 41 0.418 0.297 11.319 1.00 0.00 C ATOM 684 C PRO A 41 0.247 1.576 10.516 1.00 0.00 C ATOM 685 O PRO A 41 -0.567 1.644 9.587 1.00 0.00 O ATOM 686 CB PRO A 41 1.206 -0.744 10.507 1.00 0.00 C ATOM 687 CG PRO A 41 0.588 -2.053 10.874 1.00 0.00 C ATOM 688 CD PRO A 41 -0.896 -1.763 11.090 1.00 0.00 C ATOM 0 HA PRO A 41 0.917 0.591 12.242 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.127 -0.554 9.437 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.267 -0.722 10.757 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.732 -2.789 10.083 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.043 -2.461 11.777 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.466 -1.867 10.167 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.339 -2.444 11.817 1.00 0.00 H new ATOM 696 N SER A 42 1.017 2.577 10.865 1.00 0.00 N ATOM 697 CA SER A 42 0.966 3.848 10.174 1.00 0.00 C ATOM 698 C SER A 42 1.639 3.712 8.818 1.00 0.00 C ATOM 699 O SER A 42 2.466 2.810 8.614 1.00 0.00 O ATOM 700 CB SER A 42 1.658 4.923 11.007 1.00 0.00 C ATOM 701 OG SER A 42 1.257 4.784 12.377 1.00 0.00 O ATOM 0 H SER A 42 1.692 2.538 11.629 1.00 0.00 H new ATOM 0 HA SER A 42 -0.074 4.141 10.028 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.740 4.828 10.920 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.395 5.914 10.637 1.00 0.00 H new ATOM 0 HG SER A 42 1.699 5.471 12.919 1.00 0.00 H new ATOM 707 N LEU A 43 1.297 4.584 7.895 1.00 0.00 N ATOM 708 CA LEU A 43 1.844 4.494 6.556 1.00 0.00 C ATOM 709 C LEU A 43 3.358 4.630 6.565 1.00 0.00 C ATOM 710 O LEU A 43 4.045 3.872 5.900 1.00 0.00 O ATOM 711 CB LEU A 43 1.194 5.511 5.612 1.00 0.00 C ATOM 712 CG LEU A 43 -0.137 4.947 5.061 1.00 0.00 C ATOM 713 CD1 LEU A 43 0.141 3.772 4.109 1.00 0.00 C ATOM 714 CD2 LEU A 43 -1.032 4.463 6.209 1.00 0.00 C ATOM 0 H LEU A 43 0.649 5.357 8.043 1.00 0.00 H new ATOM 0 HA LEU A 43 1.607 3.501 6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.011 6.446 6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.871 5.739 4.788 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.647 5.744 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.802 3.382 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.755 4.116 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.667 2.984 4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.964 4.070 5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.519 3.678 6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.250 5.297 6.876 1.00 0.00 H new ATOM 726 N GLN A 44 3.888 5.523 7.386 1.00 0.00 N ATOM 727 CA GLN A 44 5.342 5.652 7.474 1.00 0.00 C ATOM 728 C GLN A 44 5.974 4.273 7.701 1.00 0.00 C ATOM 729 O GLN A 44 7.000 3.943 7.099 1.00 0.00 O ATOM 730 CB GLN A 44 5.760 6.636 8.592 1.00 0.00 C ATOM 731 CG GLN A 44 5.057 6.300 9.917 1.00 0.00 C ATOM 732 CD GLN A 44 3.746 7.062 10.022 1.00 0.00 C ATOM 733 OE1 GLN A 44 2.859 6.886 9.180 1.00 0.00 O ATOM 734 NE2 GLN A 44 3.563 7.898 10.992 1.00 0.00 N ATOM 0 H GLN A 44 3.356 6.154 7.986 1.00 0.00 H new ATOM 0 HA GLN A 44 5.705 6.061 6.531 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.841 6.597 8.730 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.514 7.655 8.294 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.869 5.228 9.976 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.704 6.557 10.756 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.296 8.042 11.686 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.685 8.413 11.063 1.00 0.00 H new ATOM 743 N LEU A 45 5.303 3.454 8.512 1.00 0.00 N ATOM 744 CA LEU A 45 5.702 2.063 8.726 1.00 0.00 C ATOM 745 C LEU A 45 5.285 1.203 7.532 1.00 0.00 C ATOM 746 O LEU A 45 6.070 0.399 7.012 1.00 0.00 O ATOM 747 CB LEU A 45 5.046 1.519 10.013 1.00 0.00 C ATOM 748 CG LEU A 45 5.474 0.058 10.276 1.00 0.00 C ATOM 749 CD1 LEU A 45 5.332 -0.256 11.770 1.00 0.00 C ATOM 750 CD2 LEU A 45 4.585 -0.907 9.474 1.00 0.00 C ATOM 0 H LEU A 45 4.473 3.734 9.035 1.00 0.00 H new ATOM 0 HA LEU A 45 6.786 2.023 8.830 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.328 2.143 10.861 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.961 1.574 9.924 1.00 0.00 H new ATOM 0 HG LEU A 45 6.512 -0.066 9.967 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.634 -1.287 11.955 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.967 0.417 12.345 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.294 -0.122 12.073 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.896 -1.934 9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.545 -0.780 9.776 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.683 -0.692 8.410 1.00 0.00 H new ATOM 762 N ALA A 46 4.023 1.350 7.139 1.00 0.00 N ATOM 763 CA ALA A 46 3.442 0.540 6.067 1.00 0.00 C ATOM 764 C ALA A 46 4.152 0.775 4.751 1.00 0.00 C ATOM 765 O ALA A 46 4.321 -0.144 3.961 1.00 0.00 O ATOM 766 CB ALA A 46 1.946 0.826 5.911 1.00 0.00 C ATOM 0 H ALA A 46 3.378 2.026 7.548 1.00 0.00 H new ATOM 0 HA ALA A 46 3.572 -0.506 6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.540 0.211 5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.432 0.592 6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.800 1.879 5.671 1.00 0.00 H new ATOM 772 N LEU A 47 4.559 2.002 4.521 1.00 0.00 N ATOM 773 CA LEU A 47 5.226 2.367 3.287 1.00 0.00 C ATOM 774 C LEU A 47 6.520 1.596 3.132 1.00 0.00 C ATOM 775 O LEU A 47 6.835 1.121 2.047 1.00 0.00 O ATOM 776 CB LEU A 47 5.486 3.877 3.228 1.00 0.00 C ATOM 777 CG LEU A 47 4.150 4.634 3.074 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.387 6.123 3.293 1.00 0.00 C ATOM 779 CD2 LEU A 47 3.592 4.425 1.659 1.00 0.00 C ATOM 0 H LEU A 47 4.439 2.773 5.178 1.00 0.00 H new ATOM 0 HA LEU A 47 4.568 2.106 2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.996 4.203 4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.144 4.109 2.391 1.00 0.00 H new ATOM 0 HG LEU A 47 3.438 4.255 3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.445 6.661 3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.784 6.285 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.101 6.490 2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.649 4.962 1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.306 4.803 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.425 3.362 1.487 1.00 0.00 H new ATOM 791 N LYS A 48 7.239 1.409 4.230 1.00 0.00 N ATOM 792 CA LYS A 48 8.486 0.656 4.182 1.00 0.00 C ATOM 793 C LYS A 48 8.162 -0.744 3.680 1.00 0.00 C ATOM 794 O LYS A 48 8.793 -1.249 2.744 1.00 0.00 O ATOM 795 CB LYS A 48 9.086 0.539 5.597 1.00 0.00 C ATOM 796 CG LYS A 48 9.237 1.926 6.237 1.00 0.00 C ATOM 797 CD LYS A 48 10.207 2.811 5.440 1.00 0.00 C ATOM 798 CE LYS A 48 10.115 4.268 5.948 1.00 0.00 C ATOM 799 NZ LYS A 48 9.408 4.320 7.263 1.00 0.00 N ATOM 0 H LYS A 48 6.986 1.762 5.153 1.00 0.00 H new ATOM 0 HA LYS A 48 9.199 1.159 3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.445 -0.086 6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.058 0.048 5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.262 2.411 6.292 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.598 1.819 7.260 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.226 2.441 5.549 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.965 2.769 4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.116 4.688 6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.585 4.881 5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.559 5.251 7.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.390 4.167 7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.783 3.578 7.888 1.00 0.00 H new ATOM 813 N ILE A 49 7.096 -1.298 4.226 1.00 0.00 N ATOM 814 CA ILE A 49 6.565 -2.573 3.786 1.00 0.00 C ATOM 815 C ILE A 49 6.023 -2.439 2.360 1.00 0.00 C ATOM 816 O ILE A 49 6.197 -3.332 1.519 1.00 0.00 O ATOM 817 CB ILE A 49 5.442 -3.019 4.750 1.00 0.00 C ATOM 818 CG1 ILE A 49 5.971 -3.046 6.193 1.00 0.00 C ATOM 819 CG2 ILE A 49 4.943 -4.416 4.376 1.00 0.00 C ATOM 820 CD1 ILE A 49 7.130 -4.042 6.307 1.00 0.00 C ATOM 0 H ILE A 49 6.572 -0.873 4.991 1.00 0.00 H new ATOM 0 HA ILE A 49 7.355 -3.324 3.790 1.00 0.00 H new ATOM 0 HB ILE A 49 4.619 -2.309 4.672 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.306 -2.051 6.485 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.171 -3.327 6.877 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.153 -4.716 5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.553 -4.403 3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.768 -5.126 4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.499 -4.055 7.333 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.782 -5.038 6.034 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.935 -3.742 5.636 1.00 0.00 H new ATOM 832 N ALA A 50 5.305 -1.348 2.120 1.00 0.00 N ATOM 833 CA ALA A 50 4.622 -1.112 0.851 1.00 0.00 C ATOM 834 C ALA A 50 5.569 -1.205 -0.331 1.00 0.00 C ATOM 835 O ALA A 50 5.155 -1.566 -1.437 1.00 0.00 O ATOM 836 CB ALA A 50 3.931 0.250 0.851 1.00 0.00 C ATOM 0 H ALA A 50 5.179 -0.599 2.801 1.00 0.00 H new ATOM 0 HA ALA A 50 3.872 -1.896 0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.429 0.403 -0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.197 0.286 1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.673 1.034 1.001 1.00 0.00 H new ATOM 842 N TYR A 51 6.832 -0.880 -0.124 1.00 0.00 N ATOM 843 CA TYR A 51 7.778 -0.986 -1.223 1.00 0.00 C ATOM 844 C TYR A 51 7.832 -2.423 -1.700 1.00 0.00 C ATOM 845 O TYR A 51 7.617 -2.698 -2.879 1.00 0.00 O ATOM 846 CB TYR A 51 9.174 -0.506 -0.809 1.00 0.00 C ATOM 847 CG TYR A 51 9.160 1.001 -0.692 1.00 0.00 C ATOM 848 CD1 TYR A 51 9.230 1.796 -1.840 1.00 0.00 C ATOM 849 CD2 TYR A 51 9.065 1.599 0.561 1.00 0.00 C ATOM 850 CE1 TYR A 51 9.205 3.189 -1.730 1.00 0.00 C ATOM 851 CE2 TYR A 51 9.038 2.992 0.674 1.00 0.00 C ATOM 852 CZ TYR A 51 9.107 3.785 -0.473 1.00 0.00 C ATOM 853 OH TYR A 51 9.079 5.157 -0.367 1.00 0.00 O ATOM 0 H TYR A 51 7.218 -0.552 0.761 1.00 0.00 H new ATOM 0 HA TYR A 51 7.440 -0.343 -2.036 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.460 -0.955 0.142 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.914 -0.820 -1.545 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.303 1.333 -2.813 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.012 0.985 1.448 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.261 3.803 -2.617 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.964 3.454 1.647 1.00 0.00 H new ATOM 0 HH TYR A 51 9.007 5.411 0.577 1.00 0.00 H new ATOM 863 N TYR A 52 7.946 -3.346 -0.752 1.00 0.00 N ATOM 864 CA TYR A 52 7.842 -4.764 -1.069 1.00 0.00 C ATOM 865 C TYR A 52 6.406 -5.165 -1.371 1.00 0.00 C ATOM 866 O TYR A 52 6.160 -6.012 -2.230 1.00 0.00 O ATOM 867 CB TYR A 52 8.397 -5.635 0.060 1.00 0.00 C ATOM 868 CG TYR A 52 9.903 -5.621 0.029 1.00 0.00 C ATOM 869 CD1 TYR A 52 10.592 -6.393 -0.921 1.00 0.00 C ATOM 870 CD2 TYR A 52 10.610 -4.848 0.952 1.00 0.00 C ATOM 871 CE1 TYR A 52 11.987 -6.389 -0.941 1.00 0.00 C ATOM 872 CE2 TYR A 52 12.008 -4.843 0.931 1.00 0.00 C ATOM 873 CZ TYR A 52 12.698 -5.616 -0.018 1.00 0.00 C ATOM 874 OH TYR A 52 14.076 -5.621 -0.047 1.00 0.00 O ATOM 0 H TYR A 52 8.109 -3.140 0.234 1.00 0.00 H new ATOM 0 HA TYR A 52 8.444 -4.930 -1.962 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.041 -5.267 1.022 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.032 -6.657 -0.045 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.043 -6.989 -1.635 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.078 -4.255 1.681 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.518 -6.983 -1.670 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.557 -4.245 1.644 1.00 0.00 H new ATOM 0 HH TYR A 52 14.420 -5.033 0.657 1.00 0.00 H new ATOM 884 N LEU A 53 5.476 -4.656 -0.567 1.00 0.00 N ATOM 885 CA LEU A 53 4.067 -5.048 -0.681 1.00 0.00 C ATOM 886 C LEU A 53 3.295 -4.113 -1.596 1.00 0.00 C ATOM 887 O LEU A 53 3.152 -2.926 -1.307 1.00 0.00 O ATOM 888 CB LEU A 53 3.393 -5.078 0.697 1.00 0.00 C ATOM 889 CG LEU A 53 3.728 -6.391 1.425 1.00 0.00 C ATOM 890 CD1 LEU A 53 5.212 -6.420 1.816 1.00 0.00 C ATOM 891 CD2 LEU A 53 2.856 -6.510 2.679 1.00 0.00 C ATOM 0 H LEU A 53 5.667 -3.975 0.168 1.00 0.00 H new ATOM 0 HA LEU A 53 4.052 -6.048 -1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.728 -4.228 1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.313 -4.982 0.584 1.00 0.00 H new ATOM 0 HG LEU A 53 3.528 -7.231 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.435 -7.355 2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.826 -6.344 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.431 -5.581 2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.090 -7.439 3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.052 -5.666 3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.804 -6.510 2.392 1.00 0.00 H new ATOM 903 N ASN A 54 2.704 -4.668 -2.632 1.00 0.00 N ATOM 904 CA ASN A 54 1.888 -3.886 -3.547 1.00 0.00 C ATOM 905 C ASN A 54 0.437 -3.881 -3.101 1.00 0.00 C ATOM 906 O ASN A 54 -0.325 -4.786 -3.432 1.00 0.00 O ATOM 907 CB ASN A 54 1.976 -4.462 -4.966 1.00 0.00 C ATOM 908 CG ASN A 54 1.216 -3.568 -5.933 1.00 0.00 C ATOM 909 OD1 ASN A 54 1.535 -2.382 -6.058 1.00 0.00 O ATOM 910 ND2 ASN A 54 0.220 -4.048 -6.608 1.00 0.00 N ATOM 0 H ASN A 54 2.771 -5.659 -2.865 1.00 0.00 H new ATOM 0 HA ASN A 54 2.267 -2.864 -3.545 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.019 -4.541 -5.272 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.561 -5.470 -4.986 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.302 -3.446 -7.244 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.042 -5.028 -6.503 1.00 0.00 H new ATOM 917 N THR A 55 0.049 -2.866 -2.363 1.00 0.00 N ATOM 918 CA THR A 55 -1.328 -2.719 -1.948 1.00 0.00 C ATOM 919 C THR A 55 -1.575 -1.308 -1.422 1.00 0.00 C ATOM 920 O THR A 55 -1.090 -0.948 -0.345 1.00 0.00 O ATOM 921 CB THR A 55 -1.708 -3.782 -0.895 1.00 0.00 C ATOM 922 OG1 THR A 55 -1.886 -5.058 -1.539 1.00 0.00 O ATOM 923 CG2 THR A 55 -3.012 -3.383 -0.192 1.00 0.00 C ATOM 0 H THR A 55 0.671 -2.126 -2.036 1.00 0.00 H new ATOM 0 HA THR A 55 -1.967 -2.877 -2.817 1.00 0.00 H new ATOM 0 HB THR A 55 -0.908 -3.851 -0.157 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.708 -4.968 -2.498 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.272 -4.139 0.549 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.879 -2.421 0.303 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.813 -3.305 -0.927 1.00 0.00 H new ATOM 931 N PRO A 56 -2.359 -0.533 -2.123 1.00 0.00 N ATOM 932 CA PRO A 56 -2.739 0.818 -1.652 1.00 0.00 C ATOM 933 C PRO A 56 -3.721 0.734 -0.487 1.00 0.00 C ATOM 934 O PRO A 56 -4.373 -0.293 -0.287 1.00 0.00 O ATOM 935 CB PRO A 56 -3.382 1.458 -2.879 1.00 0.00 C ATOM 936 CG PRO A 56 -3.996 0.322 -3.619 1.00 0.00 C ATOM 937 CD PRO A 56 -3.104 -0.900 -3.353 1.00 0.00 C ATOM 0 HA PRO A 56 -1.892 1.392 -1.276 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.132 2.196 -2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.642 1.975 -3.490 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.015 0.141 -3.277 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.051 0.538 -4.686 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.696 -1.804 -3.208 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.429 -1.092 -4.187 1.00 0.00 H new ATOM 945 N LEU A 57 -3.864 1.824 0.241 1.00 0.00 N ATOM 946 CA LEU A 57 -4.786 1.869 1.362 1.00 0.00 C ATOM 947 C LEU A 57 -6.193 1.613 0.844 1.00 0.00 C ATOM 948 O LEU A 57 -6.985 0.904 1.460 1.00 0.00 O ATOM 949 CB LEU A 57 -4.731 3.244 2.020 1.00 0.00 C ATOM 950 CG LEU A 57 -3.349 3.455 2.651 1.00 0.00 C ATOM 951 CD1 LEU A 57 -3.260 4.871 3.204 1.00 0.00 C ATOM 952 CD2 LEU A 57 -3.133 2.452 3.788 1.00 0.00 C ATOM 0 H LEU A 57 -3.354 2.692 0.077 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.512 1.112 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.927 4.021 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.506 3.326 2.782 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.582 3.305 1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.279 5.025 3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.405 5.587 2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.032 5.016 3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.149 2.609 4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.900 2.594 4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.196 1.437 3.395 1.00 0.00 H new ATOM 964 N GLU A 58 -6.478 2.156 -0.322 1.00 0.00 N ATOM 965 CA GLU A 58 -7.777 1.964 -0.947 1.00 0.00 C ATOM 966 C GLU A 58 -8.114 0.467 -0.981 1.00 0.00 C ATOM 967 O GLU A 58 -9.254 0.070 -0.712 1.00 0.00 O ATOM 968 CB GLU A 58 -7.745 2.521 -2.372 1.00 0.00 C ATOM 969 CG GLU A 58 -7.545 4.047 -2.324 1.00 0.00 C ATOM 970 CD GLU A 58 -7.420 4.626 -3.726 1.00 0.00 C ATOM 971 OE1 GLU A 58 -7.615 3.904 -4.682 1.00 0.00 O ATOM 972 OE2 GLU A 58 -7.106 5.791 -3.826 1.00 0.00 O ATOM 0 H GLU A 58 -5.830 2.734 -0.858 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.539 2.490 -0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.938 2.056 -2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.675 2.282 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.386 4.511 -1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.650 4.282 -1.749 1.00 0.00 H new ATOM 979 N ASP A 59 -7.105 -0.362 -1.241 1.00 0.00 N ATOM 980 CA ASP A 59 -7.293 -1.813 -1.222 1.00 0.00 C ATOM 981 C ASP A 59 -7.650 -2.286 0.181 1.00 0.00 C ATOM 982 O ASP A 59 -8.527 -3.131 0.355 1.00 0.00 O ATOM 983 CB ASP A 59 -6.035 -2.535 -1.711 1.00 0.00 C ATOM 984 CG ASP A 59 -6.321 -4.013 -1.915 1.00 0.00 C ATOM 985 OD1 ASP A 59 -7.080 -4.331 -2.804 1.00 0.00 O ATOM 986 OD2 ASP A 59 -5.764 -4.814 -1.192 1.00 0.00 O ATOM 0 H ASP A 59 -6.157 -0.059 -1.465 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.114 -2.053 -1.897 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.693 -2.091 -2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.231 -2.410 -0.986 1.00 0.00 H new ATOM 991 N ILE A 60 -7.006 -1.706 1.185 1.00 0.00 N ATOM 992 CA ILE A 60 -7.322 -2.043 2.568 1.00 0.00 C ATOM 993 C ILE A 60 -8.707 -1.525 2.900 1.00 0.00 C ATOM 994 O ILE A 60 -9.488 -2.190 3.576 1.00 0.00 O ATOM 995 CB ILE A 60 -6.253 -1.518 3.576 1.00 0.00 C ATOM 996 CG1 ILE A 60 -6.665 -0.170 4.206 1.00 0.00 C ATOM 997 CG2 ILE A 60 -4.899 -1.348 2.883 1.00 0.00 C ATOM 998 CD1 ILE A 60 -5.686 0.177 5.332 1.00 0.00 C ATOM 0 H ILE A 60 -6.271 -1.008 1.072 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.308 -3.128 2.668 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.176 -2.262 4.369 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.662 0.615 3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.681 -0.232 4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.166 -0.981 3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.570 -2.309 2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.996 -0.633 2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.971 1.128 5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.712 -0.605 6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.677 0.255 4.926 1.00 0.00 H new ATOM 1010 N PHE A 61 -9.023 -0.344 2.364 1.00 0.00 N ATOM 1011 CA PHE A 61 -10.329 0.264 2.571 1.00 0.00 C ATOM 1012 C PHE A 61 -11.438 -0.671 2.171 1.00 0.00 C ATOM 1013 O PHE A 61 -12.545 -0.585 2.714 1.00 0.00 O ATOM 1014 CB PHE A 61 -10.475 1.594 1.831 1.00 0.00 C ATOM 1015 CG PHE A 61 -10.042 2.727 2.728 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -10.852 3.111 3.801 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -8.841 3.395 2.487 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -10.461 4.165 4.631 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -8.447 4.449 3.315 1.00 0.00 C ATOM 1020 CZ PHE A 61 -9.257 4.835 4.389 1.00 0.00 C ATOM 0 H PHE A 61 -8.389 0.206 1.784 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.407 0.467 3.639 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.871 1.584 0.924 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.511 1.737 1.522 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -11.781 2.593 3.989 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.215 3.097 1.659 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -11.088 4.462 5.459 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.518 4.966 3.126 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.953 5.649 5.030 1.00 0.00 H new