USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 611 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 8 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 11 LYS NZ :NH3+ 167:sc= -0.939 (180deg=-1.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -157:sc= -1.38 (180deg=-2.14!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.0527 X(o=-0.053,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.0372 K(o=-0.037,f=-1.1!) USER MOD Single : A 31 ASN : amide:sc=-0.00076 X(o=-0.00076,f=-0.022) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.0404 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 74:sc= 1.03 USER MOD Single : A 44 GLN : amide:sc= -0.141 K(o=-0.14,f=-3.1!) USER MOD Single : A 49 GLN : amide:sc= -1.38 K(o=-1.4,f=-7.2!) USER MOD Single : A 73 GLN : amide:sc= -0.213 K(o=-0.21,f=-1.7!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 6.436 16.359 -0.732 1.00 0.00 N ATOM 67 CA SER A 8 5.801 15.397 0.162 1.00 0.00 C ATOM 68 C SER A 8 4.635 14.699 -0.533 1.00 0.00 C ATOM 69 O SER A 8 4.514 13.474 -0.485 1.00 0.00 O ATOM 70 CB SER A 8 5.310 16.095 1.431 1.00 0.00 C ATOM 71 OG SER A 8 6.318 16.112 2.427 1.00 0.00 O ATOM 0 HA SER A 8 6.542 14.646 0.434 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.010 17.116 1.195 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.426 15.583 1.812 1.00 0.00 H new ATOM 0 HG SER A 8 5.980 16.565 3.227 1.00 0.00 H new ATOM 77 N ILE A 9 3.780 15.487 -1.175 1.00 0.00 N ATOM 78 CA ILE A 9 2.624 14.945 -1.880 1.00 0.00 C ATOM 79 C ILE A 9 3.009 13.728 -2.713 1.00 0.00 C ATOM 80 O ILE A 9 2.237 12.776 -2.837 1.00 0.00 O ATOM 81 CB ILE A 9 1.979 16.000 -2.799 1.00 0.00 C ATOM 82 CG1 ILE A 9 1.607 17.247 -1.996 1.00 0.00 C ATOM 83 CG2 ILE A 9 0.754 15.421 -3.490 1.00 0.00 C ATOM 84 CD1 ILE A 9 2.710 18.280 -1.936 1.00 0.00 C ATOM 0 H ILE A 9 3.865 16.502 -1.222 1.00 0.00 H new ATOM 0 HA ILE A 9 1.902 14.648 -1.120 1.00 0.00 H new ATOM 0 HB ILE A 9 2.701 16.286 -3.564 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.719 17.701 -2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.343 16.950 -0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.309 16.178 -4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.048 14.559 -4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.026 15.110 -2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.375 19.136 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.592 17.843 -1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.959 18.606 -2.946 1.00 0.00 H new ATOM 96 N LEU A 10 4.209 13.764 -3.283 1.00 0.00 N ATOM 97 CA LEU A 10 4.700 12.663 -4.104 1.00 0.00 C ATOM 98 C LEU A 10 4.928 11.412 -3.259 1.00 0.00 C ATOM 99 O LEU A 10 4.445 10.329 -3.592 1.00 0.00 O ATOM 100 CB LEU A 10 5.999 13.061 -4.805 1.00 0.00 C ATOM 101 CG LEU A 10 5.846 13.771 -6.151 1.00 0.00 C ATOM 102 CD1 LEU A 10 7.188 14.300 -6.633 1.00 0.00 C ATOM 103 CD2 LEU A 10 5.241 12.830 -7.183 1.00 0.00 C ATOM 0 H LEU A 10 4.860 14.544 -3.191 1.00 0.00 H new ATOM 0 HA LEU A 10 3.943 12.439 -4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.565 13.710 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.596 12.162 -4.957 1.00 0.00 H new ATOM 0 HG LEU A 10 5.172 14.617 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.058 14.802 -7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.583 15.007 -5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.886 13.471 -6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.139 13.351 -8.135 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.891 11.964 -7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.259 12.500 -6.843 1.00 0.00 H new ATOM 115 N LYS A 11 5.663 11.571 -2.165 1.00 0.00 N ATOM 116 CA LYS A 11 5.953 10.457 -1.269 1.00 0.00 C ATOM 117 C LYS A 11 4.761 9.509 -1.176 1.00 0.00 C ATOM 118 O LYS A 11 4.878 8.319 -1.466 1.00 0.00 O ATOM 119 CB LYS A 11 6.315 10.976 0.123 1.00 0.00 C ATOM 120 CG LYS A 11 7.739 11.493 0.228 1.00 0.00 C ATOM 121 CD LYS A 11 8.237 11.471 1.664 1.00 0.00 C ATOM 122 CE LYS A 11 9.256 12.570 1.919 1.00 0.00 C ATOM 123 NZ LYS A 11 8.735 13.910 1.531 1.00 0.00 N ATOM 0 H LYS A 11 6.070 12.461 -1.876 1.00 0.00 H new ATOM 0 HA LYS A 11 6.801 9.907 -1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.626 11.776 0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.174 10.175 0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.395 10.884 -0.395 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.787 12.511 -0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.394 11.591 2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.685 10.501 1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.526 12.577 2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.167 12.358 1.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.357 14.649 1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.709 13.985 0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.775 14.033 1.911 1.00 0.00 H new ATOM 137 N ILE A 12 3.614 10.046 -0.772 1.00 0.00 N ATOM 138 CA ILE A 12 2.401 9.250 -0.644 1.00 0.00 C ATOM 139 C ILE A 12 1.927 8.747 -2.003 1.00 0.00 C ATOM 140 O ILE A 12 1.738 7.548 -2.201 1.00 0.00 O ATOM 141 CB ILE A 12 1.266 10.054 0.018 1.00 0.00 C ATOM 142 CG1 ILE A 12 1.745 10.664 1.337 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.053 9.165 0.250 1.00 0.00 C ATOM 144 CD1 ILE A 12 1.051 11.959 1.692 1.00 0.00 C ATOM 0 H ILE A 12 3.500 11.030 -0.528 1.00 0.00 H new ATOM 0 HA ILE A 12 2.649 8.398 -0.010 1.00 0.00 H new ATOM 0 HB ILE A 12 0.977 10.864 -0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.585 9.944 2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.819 10.842 1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.741 9.747 0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.299 8.774 -0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.329 8.337 0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.441 12.333 2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.232 12.695 0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.021 11.784 1.785 1.00 0.00 H new ATOM 156 N GLU A 13 1.737 9.674 -2.938 1.00 0.00 N ATOM 157 CA GLU A 13 1.286 9.324 -4.279 1.00 0.00 C ATOM 158 C GLU A 13 1.975 8.054 -4.770 1.00 0.00 C ATOM 159 O GLU A 13 1.392 7.266 -5.517 1.00 0.00 O ATOM 160 CB GLU A 13 1.561 10.474 -5.250 1.00 0.00 C ATOM 161 CG GLU A 13 0.431 11.487 -5.329 1.00 0.00 C ATOM 162 CD GLU A 13 -0.926 10.834 -5.513 1.00 0.00 C ATOM 163 OE1 GLU A 13 -1.164 10.255 -6.594 1.00 0.00 O ATOM 164 OE2 GLU A 13 -1.749 10.900 -4.576 1.00 0.00 O ATOM 0 H GLU A 13 1.889 10.672 -2.791 1.00 0.00 H new ATOM 0 HA GLU A 13 0.212 9.142 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.475 10.985 -4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.740 10.064 -6.244 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.421 12.087 -4.419 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.617 12.170 -6.158 1.00 0.00 H new ATOM 171 N LYS A 14 3.219 7.860 -4.347 1.00 0.00 N ATOM 172 CA LYS A 14 3.989 6.687 -4.742 1.00 0.00 C ATOM 173 C LYS A 14 3.483 5.439 -4.026 1.00 0.00 C ATOM 174 O LYS A 14 3.146 4.440 -4.661 1.00 0.00 O ATOM 175 CB LYS A 14 5.473 6.899 -4.436 1.00 0.00 C ATOM 176 CG LYS A 14 6.401 6.140 -5.370 1.00 0.00 C ATOM 177 CD LYS A 14 7.762 6.809 -5.467 1.00 0.00 C ATOM 178 CE LYS A 14 7.784 7.872 -6.556 1.00 0.00 C ATOM 179 NZ LYS A 14 8.111 7.294 -7.889 1.00 0.00 N ATOM 0 H LYS A 14 3.716 8.501 -3.729 1.00 0.00 H new ATOM 0 HA LYS A 14 3.864 6.544 -5.815 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.700 7.963 -4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.672 6.590 -3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.522 5.117 -5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.952 6.080 -6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.015 7.263 -4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.524 6.058 -5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.813 8.365 -6.602 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.518 8.637 -6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.116 8.050 -8.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.049 6.846 -7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.397 6.582 -8.143 1.00 0.00 H new ATOM 193 N VAL A 15 3.433 5.503 -2.699 1.00 0.00 N ATOM 194 CA VAL A 15 2.967 4.379 -1.896 1.00 0.00 C ATOM 195 C VAL A 15 1.672 3.803 -2.457 1.00 0.00 C ATOM 196 O VAL A 15 1.385 2.616 -2.296 1.00 0.00 O ATOM 197 CB VAL A 15 2.740 4.792 -0.430 1.00 0.00 C ATOM 198 CG1 VAL A 15 2.478 3.569 0.435 1.00 0.00 C ATOM 199 CG2 VAL A 15 3.931 5.580 0.092 1.00 0.00 C ATOM 0 H VAL A 15 3.710 6.322 -2.157 1.00 0.00 H new ATOM 0 HA VAL A 15 3.746 3.618 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 15 1.861 5.434 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.320 3.881 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.590 3.050 0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.336 2.898 0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.753 5.864 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.829 4.965 0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.066 6.478 -0.511 1.00 0.00 H new ATOM 209 N LEU A 16 0.891 4.652 -3.118 1.00 0.00 N ATOM 210 CA LEU A 16 -0.375 4.228 -3.705 1.00 0.00 C ATOM 211 C LEU A 16 -0.199 3.863 -5.175 1.00 0.00 C ATOM 212 O LEU A 16 -0.854 2.953 -5.684 1.00 0.00 O ATOM 213 CB LEU A 16 -1.421 5.335 -3.564 1.00 0.00 C ATOM 214 CG LEU A 16 -1.957 5.576 -2.151 1.00 0.00 C ATOM 215 CD1 LEU A 16 -2.817 6.829 -2.115 1.00 0.00 C ATOM 216 CD2 LEU A 16 -2.747 4.369 -1.668 1.00 0.00 C ATOM 0 H LEU A 16 1.113 5.637 -3.260 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.717 3.343 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.988 6.266 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.263 5.097 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.110 5.722 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.190 6.985 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.220 7.689 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.659 6.712 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.121 4.558 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.587 4.191 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.100 3.492 -1.656 1.00 0.00 H new ATOM 228 N LYS A 17 0.691 4.579 -5.854 1.00 0.00 N ATOM 229 CA LYS A 17 0.957 4.329 -7.266 1.00 0.00 C ATOM 230 C LYS A 17 1.111 2.836 -7.536 1.00 0.00 C ATOM 231 O LYS A 17 0.380 2.263 -8.342 1.00 0.00 O ATOM 232 CB LYS A 17 2.222 5.071 -7.707 1.00 0.00 C ATOM 233 CG LYS A 17 2.570 4.864 -9.170 1.00 0.00 C ATOM 234 CD LYS A 17 1.766 5.786 -10.072 1.00 0.00 C ATOM 235 CE LYS A 17 2.370 5.869 -11.464 1.00 0.00 C ATOM 236 NZ LYS A 17 1.639 6.839 -12.328 1.00 0.00 N ATOM 0 H LYS A 17 1.240 5.337 -5.449 1.00 0.00 H new ATOM 0 HA LYS A 17 0.107 4.698 -7.840 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.091 6.137 -7.521 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.060 4.740 -7.093 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.634 5.044 -9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.380 3.827 -9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.740 5.425 -10.141 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.725 6.782 -9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.416 6.166 -11.389 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.351 4.883 -11.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.081 6.867 -13.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.647 6.542 -12.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.679 7.785 -11.898 1.00 0.00 H new ATOM 250 N ARG A 18 2.066 2.213 -6.854 1.00 0.00 N ATOM 251 CA ARG A 18 2.316 0.786 -7.020 1.00 0.00 C ATOM 252 C ARG A 18 1.171 -0.038 -6.437 1.00 0.00 C ATOM 253 O ARG A 18 0.705 -0.995 -7.053 1.00 0.00 O ATOM 254 CB ARG A 18 3.634 0.394 -6.349 1.00 0.00 C ATOM 255 CG ARG A 18 4.334 -0.777 -7.018 1.00 0.00 C ATOM 256 CD ARG A 18 5.066 -0.343 -8.279 1.00 0.00 C ATOM 257 NE ARG A 18 4.145 -0.071 -9.379 1.00 0.00 N ATOM 258 CZ ARG A 18 4.433 0.735 -10.395 1.00 0.00 C ATOM 259 NH1 ARG A 18 5.609 1.345 -10.450 1.00 0.00 N ATOM 260 NH2 ARG A 18 3.542 0.933 -11.359 1.00 0.00 N ATOM 0 H ARG A 18 2.679 2.673 -6.181 1.00 0.00 H new ATOM 0 HA ARG A 18 2.385 0.577 -8.088 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.303 1.255 -6.351 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.440 0.143 -5.306 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.042 -1.225 -6.321 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.602 -1.545 -7.267 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.653 0.551 -8.068 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.767 -1.122 -8.577 1.00 0.00 H new ATOM 0 HE ARG A 18 3.231 -0.524 -9.367 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.296 1.196 -9.711 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.827 1.963 -11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.636 0.466 -11.320 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.763 1.552 -12.139 1.00 0.00 H new ATOM 274 N MET A 19 0.725 0.341 -5.243 1.00 0.00 N ATOM 275 CA MET A 19 -0.365 -0.362 -4.577 1.00 0.00 C ATOM 276 C MET A 19 -1.381 -0.876 -5.591 1.00 0.00 C ATOM 277 O MET A 19 -1.886 -1.992 -5.467 1.00 0.00 O ATOM 278 CB MET A 19 -1.054 0.560 -3.569 1.00 0.00 C ATOM 279 CG MET A 19 -2.143 -0.127 -2.762 1.00 0.00 C ATOM 280 SD MET A 19 -3.638 -0.425 -3.726 1.00 0.00 S ATOM 281 CE MET A 19 -3.895 1.188 -4.460 1.00 0.00 C ATOM 0 H MET A 19 1.102 1.130 -4.718 1.00 0.00 H new ATOM 0 HA MET A 19 0.057 -1.216 -4.048 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.306 0.962 -2.886 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.487 1.407 -4.101 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.765 -1.076 -2.383 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.390 0.487 -1.896 1.00 0.00 H new ATOM 0 HE1 MET A 19 -4.944 1.300 -4.734 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.623 1.962 -3.742 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.275 1.285 -5.351 1.00 0.00 H new ATOM 291 N ARG A 20 -1.677 -0.055 -6.593 1.00 0.00 N ATOM 292 CA ARG A 20 -2.635 -0.427 -7.628 1.00 0.00 C ATOM 293 C ARG A 20 -2.171 -1.675 -8.375 1.00 0.00 C ATOM 294 O ARG A 20 -2.924 -2.636 -8.522 1.00 0.00 O ATOM 295 CB ARG A 20 -2.828 0.728 -8.613 1.00 0.00 C ATOM 296 CG ARG A 20 -4.182 0.719 -9.303 1.00 0.00 C ATOM 297 CD ARG A 20 -4.166 -0.153 -10.549 1.00 0.00 C ATOM 298 NE ARG A 20 -3.234 0.347 -11.556 1.00 0.00 N ATOM 299 CZ ARG A 20 -3.450 1.440 -12.279 1.00 0.00 C ATOM 300 NH1 ARG A 20 -4.560 2.144 -12.107 1.00 0.00 N ATOM 301 NH2 ARG A 20 -2.553 1.831 -13.176 1.00 0.00 N ATOM 0 H ARG A 20 -1.268 0.872 -6.710 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.587 -0.647 -7.145 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.707 1.672 -8.082 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.044 0.685 -9.369 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.942 0.354 -8.612 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.461 1.737 -9.574 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.891 -1.172 -10.275 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.169 -0.197 -10.974 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.370 -0.172 -11.713 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.251 1.847 -11.418 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.723 2.983 -12.664 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.698 1.292 -13.310 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.719 2.670 -13.731 1.00 0.00 H new ATOM 315 N GLU A 21 -0.928 -1.649 -8.845 1.00 0.00 N ATOM 316 CA GLU A 21 -0.365 -2.776 -9.578 1.00 0.00 C ATOM 317 C GLU A 21 -0.421 -4.051 -8.741 1.00 0.00 C ATOM 318 O GLU A 21 -1.189 -4.968 -9.037 1.00 0.00 O ATOM 319 CB GLU A 21 1.081 -2.481 -9.982 1.00 0.00 C ATOM 320 CG GLU A 21 1.208 -1.800 -11.334 1.00 0.00 C ATOM 321 CD GLU A 21 0.997 -2.758 -12.491 1.00 0.00 C ATOM 322 OE1 GLU A 21 0.663 -3.934 -12.236 1.00 0.00 O ATOM 323 OE2 GLU A 21 1.167 -2.331 -13.652 1.00 0.00 O ATOM 0 H GLU A 21 -0.292 -0.860 -8.731 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.962 -2.925 -10.478 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.540 -1.849 -9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.642 -3.415 -10.001 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.480 -0.991 -11.399 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.196 -1.347 -11.417 1.00 0.00 H new ATOM 330 N ILE A 22 0.398 -4.102 -7.695 1.00 0.00 N ATOM 331 CA ILE A 22 0.442 -5.263 -6.816 1.00 0.00 C ATOM 332 C ILE A 22 -0.938 -5.897 -6.673 1.00 0.00 C ATOM 333 O ILE A 22 -1.087 -7.115 -6.767 1.00 0.00 O ATOM 334 CB ILE A 22 0.971 -4.890 -5.418 1.00 0.00 C ATOM 335 CG1 ILE A 22 2.420 -4.406 -5.510 1.00 0.00 C ATOM 336 CG2 ILE A 22 0.863 -6.081 -4.476 1.00 0.00 C ATOM 337 CD1 ILE A 22 2.826 -3.500 -4.368 1.00 0.00 C ATOM 0 H ILE A 22 1.040 -3.352 -7.436 1.00 0.00 H new ATOM 0 HA ILE A 22 1.123 -5.981 -7.274 1.00 0.00 H new ATOM 0 HB ILE A 22 0.362 -4.079 -5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.083 -5.271 -5.531 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.559 -3.875 -6.452 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.241 -5.802 -3.492 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.180 -6.385 -4.392 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.451 -6.910 -4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.864 -3.195 -4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.187 -2.617 -4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.720 -4.035 -3.424 1.00 0.00 H new ATOM 349 N LYS A 23 -1.946 -5.061 -6.445 1.00 0.00 N ATOM 350 CA LYS A 23 -3.316 -5.538 -6.292 1.00 0.00 C ATOM 351 C LYS A 23 -3.796 -6.229 -7.564 1.00 0.00 C ATOM 352 O LYS A 23 -4.133 -7.413 -7.548 1.00 0.00 O ATOM 353 CB LYS A 23 -4.247 -4.372 -5.948 1.00 0.00 C ATOM 354 CG LYS A 23 -5.582 -4.811 -5.373 1.00 0.00 C ATOM 355 CD LYS A 23 -6.567 -3.656 -5.306 1.00 0.00 C ATOM 356 CE LYS A 23 -7.862 -4.065 -4.621 1.00 0.00 C ATOM 357 NZ LYS A 23 -8.884 -2.984 -4.674 1.00 0.00 N ATOM 0 H LYS A 23 -1.840 -4.050 -6.362 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.335 -6.262 -5.478 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.749 -3.719 -5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.424 -3.782 -6.847 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.998 -5.610 -5.986 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.432 -5.221 -4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.116 -2.823 -4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.784 -3.303 -6.314 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.257 -4.962 -5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.658 -4.321 -3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.751 -3.302 -4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.517 -2.136 -4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.098 -2.757 -5.666 1.00 0.00 H new ATOM 371 N ASN A 24 -3.824 -5.483 -8.663 1.00 0.00 N ATOM 372 CA ASN A 24 -4.263 -6.026 -9.944 1.00 0.00 C ATOM 373 C ASN A 24 -3.542 -7.334 -10.256 1.00 0.00 C ATOM 374 O ASN A 24 -4.161 -8.309 -10.680 1.00 0.00 O ATOM 375 CB ASN A 24 -4.014 -5.014 -11.062 1.00 0.00 C ATOM 376 CG ASN A 24 -4.225 -5.611 -12.441 1.00 0.00 C ATOM 377 OD1 ASN A 24 -5.274 -6.189 -12.725 1.00 0.00 O ATOM 378 ND2 ASN A 24 -3.225 -5.474 -13.303 1.00 0.00 N ATOM 0 H ASN A 24 -3.548 -4.501 -8.693 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.332 -6.228 -9.878 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.681 -4.162 -10.932 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.995 -4.635 -10.985 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.308 -5.856 -14.245 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.374 -4.987 -13.023 1.00 0.00 H new ATOM 385 N GLU A 25 -2.230 -7.345 -10.042 1.00 0.00 N ATOM 386 CA GLU A 25 -1.425 -8.532 -10.302 1.00 0.00 C ATOM 387 C GLU A 25 -1.965 -9.735 -9.533 1.00 0.00 C ATOM 388 O GLU A 25 -1.910 -10.868 -10.011 1.00 0.00 O ATOM 389 CB GLU A 25 0.034 -8.282 -9.917 1.00 0.00 C ATOM 390 CG GLU A 25 1.027 -9.099 -10.724 1.00 0.00 C ATOM 391 CD GLU A 25 1.234 -8.551 -12.123 1.00 0.00 C ATOM 392 OE1 GLU A 25 0.411 -8.858 -13.010 1.00 0.00 O ATOM 393 OE2 GLU A 25 2.221 -7.813 -12.330 1.00 0.00 O ATOM 0 H GLU A 25 -1.703 -6.546 -9.690 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.480 -8.749 -11.369 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.258 -7.223 -10.046 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.165 -8.509 -8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.983 -9.121 -10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.676 -10.129 -10.790 1.00 0.00 H new ATOM 400 N LEU A 26 -2.487 -9.480 -8.338 1.00 0.00 N ATOM 401 CA LEU A 26 -3.037 -10.540 -7.501 1.00 0.00 C ATOM 402 C LEU A 26 -4.446 -10.915 -7.952 1.00 0.00 C ATOM 403 O LEU A 26 -4.821 -12.088 -7.942 1.00 0.00 O ATOM 404 CB LEU A 26 -3.060 -10.101 -6.036 1.00 0.00 C ATOM 405 CG LEU A 26 -4.011 -10.871 -5.118 1.00 0.00 C ATOM 406 CD1 LEU A 26 -3.572 -12.320 -4.989 1.00 0.00 C ATOM 407 CD2 LEU A 26 -4.082 -10.209 -3.750 1.00 0.00 C ATOM 0 H LEU A 26 -2.541 -8.548 -7.927 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.397 -11.416 -7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.050 -10.189 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.327 -9.045 -5.998 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.007 -10.854 -5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.261 -12.852 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.573 -12.790 -5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.567 -12.360 -4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.763 -10.770 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.089 -10.196 -3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.445 -9.187 -3.859 1.00 0.00 H new ATOM 419 N LEU A 27 -5.219 -9.911 -8.351 1.00 0.00 N ATOM 420 CA LEU A 27 -6.586 -10.135 -8.809 1.00 0.00 C ATOM 421 C LEU A 27 -6.606 -11.016 -10.054 1.00 0.00 C ATOM 422 O LEU A 27 -7.488 -11.859 -10.215 1.00 0.00 O ATOM 423 CB LEU A 27 -7.272 -8.800 -9.104 1.00 0.00 C ATOM 424 CG LEU A 27 -7.516 -7.890 -7.899 1.00 0.00 C ATOM 425 CD1 LEU A 27 -8.106 -6.561 -8.345 1.00 0.00 C ATOM 426 CD2 LEU A 27 -8.433 -8.572 -6.893 1.00 0.00 C ATOM 0 H LEU A 27 -4.923 -8.935 -8.367 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.129 -10.648 -8.015 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.666 -8.255 -9.829 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.231 -9.004 -9.580 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.559 -7.695 -7.415 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.273 -5.927 -7.475 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.414 -6.067 -9.027 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.054 -6.736 -8.853 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.596 -7.910 -6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.389 -8.797 -7.366 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.972 -9.498 -6.550 1.00 0.00 H new ATOM 438 N GLN A 28 -5.627 -10.814 -10.931 1.00 0.00 N ATOM 439 CA GLN A 28 -5.532 -11.592 -12.161 1.00 0.00 C ATOM 440 C GLN A 28 -4.935 -12.968 -11.889 1.00 0.00 C ATOM 441 O GLN A 28 -5.467 -13.985 -12.333 1.00 0.00 O ATOM 442 CB GLN A 28 -4.683 -10.849 -13.193 1.00 0.00 C ATOM 443 CG GLN A 28 -5.382 -9.643 -13.802 1.00 0.00 C ATOM 444 CD GLN A 28 -6.245 -10.009 -14.993 1.00 0.00 C ATOM 445 OE1 GLN A 28 -7.465 -9.842 -14.965 1.00 0.00 O ATOM 446 NE2 GLN A 28 -5.615 -10.510 -16.050 1.00 0.00 N ATOM 0 H GLN A 28 -4.890 -10.119 -10.813 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.539 -11.725 -12.557 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.757 -10.522 -12.721 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.408 -11.540 -13.990 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.001 -9.165 -13.043 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.635 -8.912 -14.111 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.602 -10.631 -16.030 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.144 -10.773 -16.882 1.00 0.00 H new ATOM 455 N ALA A 29 -3.826 -12.994 -11.158 1.00 0.00 N ATOM 456 CA ALA A 29 -3.157 -14.245 -10.827 1.00 0.00 C ATOM 457 C ALA A 29 -4.163 -15.308 -10.398 1.00 0.00 C ATOM 458 O ALA A 29 -5.004 -15.067 -9.534 1.00 0.00 O ATOM 459 CB ALA A 29 -2.127 -14.020 -9.730 1.00 0.00 C ATOM 0 H ALA A 29 -3.371 -12.161 -10.783 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.647 -14.602 -11.722 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.635 -14.964 -9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.384 -13.299 -10.071 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.623 -13.636 -8.839 1.00 0.00 H new ATOM 465 N GLN A 30 -4.071 -16.485 -11.011 1.00 0.00 N ATOM 466 CA GLN A 30 -4.974 -17.584 -10.694 1.00 0.00 C ATOM 467 C GLN A 30 -4.471 -18.373 -9.490 1.00 0.00 C ATOM 468 O GLN A 30 -5.258 -18.835 -8.665 1.00 0.00 O ATOM 469 CB GLN A 30 -5.126 -18.512 -11.900 1.00 0.00 C ATOM 470 CG GLN A 30 -6.094 -19.661 -11.666 1.00 0.00 C ATOM 471 CD GLN A 30 -6.544 -20.317 -12.956 1.00 0.00 C ATOM 472 OE1 GLN A 30 -6.674 -19.659 -13.989 1.00 0.00 O ATOM 473 NE2 GLN A 30 -6.785 -21.622 -12.905 1.00 0.00 N ATOM 0 H GLN A 30 -3.380 -16.701 -11.730 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.947 -17.160 -10.446 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.467 -17.929 -12.756 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.149 -18.919 -12.160 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.619 -20.408 -11.030 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.967 -19.292 -11.127 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.665 -22.129 -12.028 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.090 -22.117 -13.743 1.00 0.00 H new ATOM 482 N ASN A 31 -3.154 -18.523 -9.396 1.00 0.00 N ATOM 483 CA ASN A 31 -2.544 -19.257 -8.293 1.00 0.00 C ATOM 484 C ASN A 31 -1.736 -18.324 -7.399 1.00 0.00 C ATOM 485 O ASN A 31 -0.508 -18.397 -7.332 1.00 0.00 O ATOM 486 CB ASN A 31 -1.646 -20.373 -8.830 1.00 0.00 C ATOM 487 CG ASN A 31 -2.439 -21.501 -9.462 1.00 0.00 C ATOM 488 OD1 ASN A 31 -3.301 -22.102 -8.822 1.00 0.00 O ATOM 489 ND2 ASN A 31 -2.151 -21.793 -10.724 1.00 0.00 N ATOM 0 H ASN A 31 -2.488 -18.146 -10.071 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.343 -19.698 -7.698 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.958 -19.959 -9.567 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.040 -20.771 -8.016 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.652 -22.542 -11.201 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.428 -21.268 -11.217 1.00 0.00 H new ATOM 496 N PRO A 32 -2.437 -17.423 -6.695 1.00 0.00 N ATOM 497 CA PRO A 32 -1.804 -16.456 -5.791 1.00 0.00 C ATOM 498 C PRO A 32 -1.224 -17.121 -4.548 1.00 0.00 C ATOM 499 O PRO A 32 -0.628 -16.458 -3.699 1.00 0.00 O ATOM 500 CB PRO A 32 -2.955 -15.522 -5.411 1.00 0.00 C ATOM 501 CG PRO A 32 -4.185 -16.344 -5.583 1.00 0.00 C ATOM 502 CD PRO A 32 -3.902 -17.278 -6.727 1.00 0.00 C ATOM 0 HA PRO A 32 -0.962 -15.948 -6.260 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.856 -15.169 -4.385 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.976 -14.640 -6.051 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.414 -16.899 -4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.048 -15.714 -5.798 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.404 -18.237 -6.596 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.244 -16.866 -7.676 1.00 0.00 H new ATOM 510 N SER A 33 -1.401 -18.434 -4.447 1.00 0.00 N ATOM 511 CA SER A 33 -0.897 -19.188 -3.305 1.00 0.00 C ATOM 512 C SER A 33 0.577 -18.882 -3.060 1.00 0.00 C ATOM 513 O SER A 33 1.097 -19.116 -1.970 1.00 0.00 O ATOM 514 CB SER A 33 -1.087 -20.689 -3.533 1.00 0.00 C ATOM 515 OG SER A 33 -2.452 -21.004 -3.748 1.00 0.00 O ATOM 0 H SER A 33 -1.890 -18.998 -5.142 1.00 0.00 H new ATOM 0 HA SER A 33 -1.464 -18.887 -2.424 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.498 -21.007 -4.393 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.715 -21.241 -2.670 1.00 0.00 H new ATOM 0 HG SER A 33 -2.546 -21.969 -3.893 1.00 0.00 H new ATOM 521 N GLU A 34 1.244 -18.359 -4.083 1.00 0.00 N ATOM 522 CA GLU A 34 2.659 -18.021 -3.979 1.00 0.00 C ATOM 523 C GLU A 34 2.858 -16.509 -3.961 1.00 0.00 C ATOM 524 O GLU A 34 3.844 -16.007 -3.419 1.00 0.00 O ATOM 525 CB GLU A 34 3.439 -18.635 -5.144 1.00 0.00 C ATOM 526 CG GLU A 34 2.861 -18.298 -6.509 1.00 0.00 C ATOM 527 CD GLU A 34 3.838 -18.564 -7.638 1.00 0.00 C ATOM 528 OE1 GLU A 34 4.851 -17.839 -7.728 1.00 0.00 O ATOM 529 OE2 GLU A 34 3.590 -19.495 -8.431 1.00 0.00 O ATOM 0 H GLU A 34 0.828 -18.160 -4.993 1.00 0.00 H new ATOM 0 HA GLU A 34 3.036 -18.430 -3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.472 -18.289 -5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.460 -19.718 -5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.956 -18.884 -6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.568 -17.248 -6.526 1.00 0.00 H new ATOM 536 N LEU A 35 1.916 -15.787 -4.558 1.00 0.00 N ATOM 537 CA LEU A 35 1.987 -14.331 -4.611 1.00 0.00 C ATOM 538 C LEU A 35 1.774 -13.724 -3.228 1.00 0.00 C ATOM 539 O LEU A 35 2.394 -12.721 -2.876 1.00 0.00 O ATOM 540 CB LEU A 35 0.942 -13.785 -5.586 1.00 0.00 C ATOM 541 CG LEU A 35 1.352 -13.753 -7.059 1.00 0.00 C ATOM 542 CD1 LEU A 35 0.129 -13.590 -7.949 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.351 -12.634 -7.312 1.00 0.00 C ATOM 0 H LEU A 35 1.094 -16.186 -5.012 1.00 0.00 H new ATOM 0 HA LEU A 35 2.982 -14.053 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.038 -14.387 -5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.682 -12.772 -5.279 1.00 0.00 H new ATOM 0 HG LEU A 35 1.831 -14.701 -7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.439 -13.569 -8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.551 -14.426 -7.789 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.379 -12.657 -7.703 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.631 -12.627 -8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.899 -11.677 -7.050 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.240 -12.795 -6.702 1.00 0.00 H new ATOM 555 N TYR A 36 0.895 -14.342 -2.446 1.00 0.00 N ATOM 556 CA TYR A 36 0.599 -13.862 -1.101 1.00 0.00 C ATOM 557 C TYR A 36 1.874 -13.425 -0.387 1.00 0.00 C ATOM 558 O TYR A 36 1.895 -12.403 0.303 1.00 0.00 O ATOM 559 CB TYR A 36 -0.103 -14.954 -0.291 1.00 0.00 C ATOM 560 CG TYR A 36 -1.459 -15.337 -0.840 1.00 0.00 C ATOM 561 CD1 TYR A 36 -2.355 -14.367 -1.272 1.00 0.00 C ATOM 562 CD2 TYR A 36 -1.844 -16.670 -0.927 1.00 0.00 C ATOM 563 CE1 TYR A 36 -3.595 -14.712 -1.773 1.00 0.00 C ATOM 564 CE2 TYR A 36 -3.081 -17.024 -1.427 1.00 0.00 C ATOM 565 CZ TYR A 36 -3.953 -16.043 -1.849 1.00 0.00 C ATOM 566 OH TYR A 36 -5.187 -16.391 -2.349 1.00 0.00 O ATOM 0 H TYR A 36 0.375 -15.176 -2.720 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.062 -13.000 -1.187 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.532 -15.839 -0.264 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.220 -14.613 0.738 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.077 -13.325 -1.215 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.164 -17.442 -0.598 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.280 -13.945 -2.103 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.364 -18.064 -1.487 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.282 -17.366 -2.336 1.00 0.00 H new ATOM 576 N LEU A 37 2.937 -14.204 -0.556 1.00 0.00 N ATOM 577 CA LEU A 37 4.218 -13.897 0.071 1.00 0.00 C ATOM 578 C LEU A 37 4.806 -12.607 -0.493 1.00 0.00 C ATOM 579 O LEU A 37 5.156 -11.694 0.254 1.00 0.00 O ATOM 580 CB LEU A 37 5.199 -15.052 -0.138 1.00 0.00 C ATOM 581 CG LEU A 37 5.086 -16.214 0.849 1.00 0.00 C ATOM 582 CD1 LEU A 37 5.930 -17.392 0.385 1.00 0.00 C ATOM 583 CD2 LEU A 37 5.504 -15.773 2.244 1.00 0.00 C ATOM 0 H LEU A 37 2.937 -15.053 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 37 4.048 -13.760 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.060 -15.443 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.213 -14.655 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 37 4.044 -16.532 0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.837 -18.210 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.584 -17.724 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.974 -17.087 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.417 -16.613 2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.538 -15.428 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.857 -14.962 2.578 1.00 0.00 H new ATOM 595 N SER A 38 4.909 -12.539 -1.817 1.00 0.00 N ATOM 596 CA SER A 38 5.456 -11.361 -2.481 1.00 0.00 C ATOM 597 C SER A 38 4.538 -10.157 -2.295 1.00 0.00 C ATOM 598 O SER A 38 4.928 -9.152 -1.701 1.00 0.00 O ATOM 599 CB SER A 38 5.656 -11.638 -3.973 1.00 0.00 C ATOM 600 OG SER A 38 6.507 -10.671 -4.562 1.00 0.00 O ATOM 0 H SER A 38 4.621 -13.285 -2.450 1.00 0.00 H new ATOM 0 HA SER A 38 6.421 -11.134 -2.028 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.082 -12.632 -4.107 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.691 -11.634 -4.479 1.00 0.00 H new ATOM 0 HG SER A 38 6.620 -10.871 -5.515 1.00 0.00 H new ATOM 606 N SER A 39 3.316 -10.268 -2.806 1.00 0.00 N ATOM 607 CA SER A 39 2.342 -9.186 -2.700 1.00 0.00 C ATOM 608 C SER A 39 2.478 -8.463 -1.364 1.00 0.00 C ATOM 609 O SER A 39 2.633 -7.242 -1.318 1.00 0.00 O ATOM 610 CB SER A 39 0.923 -9.735 -2.855 1.00 0.00 C ATOM 611 OG SER A 39 0.759 -10.382 -4.105 1.00 0.00 O ATOM 0 H SER A 39 2.976 -11.095 -3.297 1.00 0.00 H new ATOM 0 HA SER A 39 2.537 -8.472 -3.500 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.711 -10.437 -2.048 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.203 -8.921 -2.766 1.00 0.00 H new ATOM 0 HG SER A 39 -0.156 -10.725 -4.178 1.00 0.00 H new ATOM 617 N LYS A 40 2.419 -9.224 -0.277 1.00 0.00 N ATOM 618 CA LYS A 40 2.536 -8.659 1.062 1.00 0.00 C ATOM 619 C LYS A 40 3.913 -8.037 1.271 1.00 0.00 C ATOM 620 O LYS A 40 4.028 -6.888 1.698 1.00 0.00 O ATOM 621 CB LYS A 40 2.286 -9.738 2.117 1.00 0.00 C ATOM 622 CG LYS A 40 1.856 -9.183 3.464 1.00 0.00 C ATOM 623 CD LYS A 40 1.266 -10.267 4.352 1.00 0.00 C ATOM 624 CE LYS A 40 2.342 -10.967 5.167 1.00 0.00 C ATOM 625 NZ LYS A 40 1.809 -12.159 5.882 1.00 0.00 N ATOM 0 H LYS A 40 2.291 -10.236 -0.297 1.00 0.00 H new ATOM 0 HA LYS A 40 1.784 -7.877 1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.518 -10.420 1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.196 -10.324 2.248 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.713 -8.730 3.962 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.120 -8.393 3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.528 -9.827 5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.741 -10.998 3.736 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.155 -11.272 4.509 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.762 -10.268 5.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.573 -12.608 6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.050 -11.865 6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.431 -12.838 5.191 1.00 0.00 H new ATOM 639 N THR A 41 4.956 -8.804 0.967 1.00 0.00 N ATOM 640 CA THR A 41 6.325 -8.328 1.123 1.00 0.00 C ATOM 641 C THR A 41 6.509 -6.962 0.472 1.00 0.00 C ATOM 642 O THR A 41 6.884 -5.995 1.134 1.00 0.00 O ATOM 643 CB THR A 41 7.335 -9.316 0.510 1.00 0.00 C ATOM 644 OG1 THR A 41 7.229 -10.590 1.155 1.00 0.00 O ATOM 645 CG2 THR A 41 8.756 -8.790 0.644 1.00 0.00 C ATOM 0 H THR A 41 4.878 -9.757 0.612 1.00 0.00 H new ATOM 0 HA THR A 41 6.512 -8.245 2.194 1.00 0.00 H new ATOM 0 HB THR A 41 7.104 -9.426 -0.549 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.412 -11.041 0.856 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.452 -9.505 0.204 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.841 -7.835 0.126 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.995 -8.653 1.699 1.00 0.00 H new ATOM 653 N GLU A 42 6.241 -6.889 -0.828 1.00 0.00 N ATOM 654 CA GLU A 42 6.378 -5.639 -1.567 1.00 0.00 C ATOM 655 C GLU A 42 5.676 -4.497 -0.838 1.00 0.00 C ATOM 656 O GLU A 42 6.275 -3.455 -0.570 1.00 0.00 O ATOM 657 CB GLU A 42 5.803 -5.789 -2.978 1.00 0.00 C ATOM 658 CG GLU A 42 6.215 -4.674 -3.924 1.00 0.00 C ATOM 659 CD GLU A 42 7.618 -4.858 -4.466 1.00 0.00 C ATOM 660 OE1 GLU A 42 8.038 -6.021 -4.642 1.00 0.00 O ATOM 661 OE2 GLU A 42 8.296 -3.840 -4.718 1.00 0.00 O ATOM 0 H GLU A 42 5.928 -7.680 -1.391 1.00 0.00 H new ATOM 0 HA GLU A 42 7.440 -5.403 -1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.125 -6.744 -3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.715 -5.819 -2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.511 -4.629 -4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.153 -3.719 -3.403 1.00 0.00 H new ATOM 668 N LEU A 43 4.402 -4.700 -0.521 1.00 0.00 N ATOM 669 CA LEU A 43 3.616 -3.688 0.176 1.00 0.00 C ATOM 670 C LEU A 43 4.408 -3.084 1.331 1.00 0.00 C ATOM 671 O LEU A 43 4.731 -1.896 1.320 1.00 0.00 O ATOM 672 CB LEU A 43 2.314 -4.295 0.698 1.00 0.00 C ATOM 673 CG LEU A 43 1.188 -4.453 -0.325 1.00 0.00 C ATOM 674 CD1 LEU A 43 0.066 -5.308 0.243 1.00 0.00 C ATOM 675 CD2 LEU A 43 0.661 -3.091 -0.752 1.00 0.00 C ATOM 0 H LEU A 43 3.891 -5.556 -0.736 1.00 0.00 H new ATOM 0 HA LEU A 43 3.380 -2.894 -0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.537 -5.276 1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.950 -3.674 1.516 1.00 0.00 H new ATOM 0 HG LEU A 43 1.590 -4.957 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.726 -5.409 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.453 -6.295 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.335 -4.834 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.140 -3.223 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.276 -2.560 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.469 -2.513 -1.201 1.00 0.00 H new ATOM 687 N GLN A 44 4.719 -3.910 2.324 1.00 0.00 N ATOM 688 CA GLN A 44 5.476 -3.457 3.486 1.00 0.00 C ATOM 689 C GLN A 44 6.535 -2.438 3.082 1.00 0.00 C ATOM 690 O GLN A 44 6.847 -1.519 3.839 1.00 0.00 O ATOM 691 CB GLN A 44 6.136 -4.646 4.186 1.00 0.00 C ATOM 692 CG GLN A 44 5.141 -5.636 4.772 1.00 0.00 C ATOM 693 CD GLN A 44 4.608 -5.199 6.121 1.00 0.00 C ATOM 694 OE1 GLN A 44 4.375 -4.012 6.355 1.00 0.00 O ATOM 695 NE2 GLN A 44 4.412 -6.157 7.020 1.00 0.00 N ATOM 0 H GLN A 44 4.459 -4.896 2.348 1.00 0.00 H new ATOM 0 HA GLN A 44 4.782 -2.978 4.176 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.777 -5.166 3.474 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.780 -4.276 4.984 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.308 -5.761 4.080 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.620 -6.610 4.873 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.618 -7.128 6.784 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.055 -5.922 7.946 1.00 0.00 H new ATOM 704 N GLY A 45 7.085 -2.606 1.883 1.00 0.00 N ATOM 705 CA GLY A 45 8.105 -1.693 1.400 1.00 0.00 C ATOM 706 C GLY A 45 7.533 -0.352 0.987 1.00 0.00 C ATOM 707 O GLY A 45 8.087 0.697 1.319 1.00 0.00 O ATOM 0 H GLY A 45 6.843 -3.358 1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.852 -1.542 2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.618 -2.143 0.550 1.00 0.00 H new ATOM 711 N LEU A 46 6.422 -0.383 0.259 1.00 0.00 N ATOM 712 CA LEU A 46 5.775 0.840 -0.203 1.00 0.00 C ATOM 713 C LEU A 46 5.486 1.777 0.966 1.00 0.00 C ATOM 714 O LEU A 46 5.774 2.973 0.901 1.00 0.00 O ATOM 715 CB LEU A 46 4.474 0.507 -0.937 1.00 0.00 C ATOM 716 CG LEU A 46 4.624 -0.262 -2.251 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.264 -0.706 -2.766 1.00 0.00 C ATOM 718 CD2 LEU A 46 5.337 0.591 -3.289 1.00 0.00 C ATOM 0 H LEU A 46 5.950 -1.242 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 46 6.454 1.344 -0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.841 -0.076 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.947 1.439 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 46 5.227 -1.150 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.389 -1.251 -3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.790 -1.354 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.637 0.169 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.435 0.028 -4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.760 1.497 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.327 0.860 -2.921 1.00 0.00 H new ATOM 730 N ILE A 47 4.919 1.226 2.033 1.00 0.00 N ATOM 731 CA ILE A 47 4.595 2.013 3.217 1.00 0.00 C ATOM 732 C ILE A 47 5.830 2.727 3.758 1.00 0.00 C ATOM 733 O ILE A 47 5.743 3.850 4.251 1.00 0.00 O ATOM 734 CB ILE A 47 3.996 1.133 4.331 1.00 0.00 C ATOM 735 CG1 ILE A 47 2.651 0.555 3.886 1.00 0.00 C ATOM 736 CG2 ILE A 47 3.837 1.938 5.612 1.00 0.00 C ATOM 737 CD1 ILE A 47 1.982 -0.297 4.942 1.00 0.00 C ATOM 0 H ILE A 47 4.674 0.238 2.103 1.00 0.00 H new ATOM 0 HA ILE A 47 3.855 2.753 2.911 1.00 0.00 H new ATOM 0 HB ILE A 47 4.677 0.305 4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.984 1.374 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.801 -0.044 2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.413 1.303 6.390 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.811 2.305 5.934 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.173 2.783 5.431 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.034 -0.674 4.559 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.630 -1.136 5.196 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.800 0.304 5.833 1.00 0.00 H new ATOM 749 N GLY A 48 6.979 2.067 3.658 1.00 0.00 N ATOM 750 CA GLY A 48 8.216 2.655 4.139 1.00 0.00 C ATOM 751 C GLY A 48 8.378 4.099 3.707 1.00 0.00 C ATOM 752 O GLY A 48 9.058 4.879 4.374 1.00 0.00 O ATOM 0 H GLY A 48 7.076 1.136 3.253 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.242 2.599 5.227 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.060 2.072 3.770 1.00 0.00 H new ATOM 756 N GLN A 49 7.753 4.454 2.590 1.00 0.00 N ATOM 757 CA GLN A 49 7.833 5.814 2.070 1.00 0.00 C ATOM 758 C GLN A 49 7.007 6.773 2.921 1.00 0.00 C ATOM 759 O GLN A 49 7.428 7.897 3.196 1.00 0.00 O ATOM 760 CB GLN A 49 7.352 5.857 0.618 1.00 0.00 C ATOM 761 CG GLN A 49 8.288 5.157 -0.354 1.00 0.00 C ATOM 762 CD GLN A 49 7.925 5.418 -1.803 1.00 0.00 C ATOM 763 OE1 GLN A 49 7.474 6.508 -2.156 1.00 0.00 O ATOM 764 NE2 GLN A 49 8.121 4.416 -2.652 1.00 0.00 N ATOM 0 H GLN A 49 7.186 3.820 2.028 1.00 0.00 H new ATOM 0 HA GLN A 49 8.876 6.130 2.109 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.366 5.395 0.557 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.236 6.897 0.313 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.310 5.491 -0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.266 4.084 -0.165 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.497 3.529 -2.316 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.896 4.533 -3.640 1.00 0.00 H new ATOM 773 N LEU A 50 5.828 6.321 3.334 1.00 0.00 N ATOM 774 CA LEU A 50 4.940 7.139 4.154 1.00 0.00 C ATOM 775 C LEU A 50 5.625 7.549 5.454 1.00 0.00 C ATOM 776 O LEU A 50 5.551 8.706 5.868 1.00 0.00 O ATOM 777 CB LEU A 50 3.651 6.375 4.462 1.00 0.00 C ATOM 778 CG LEU A 50 2.624 6.309 3.332 1.00 0.00 C ATOM 779 CD1 LEU A 50 1.592 5.226 3.610 1.00 0.00 C ATOM 780 CD2 LEU A 50 1.945 7.659 3.149 1.00 0.00 C ATOM 0 H LEU A 50 5.465 5.393 3.115 1.00 0.00 H new ATOM 0 HA LEU A 50 4.695 8.041 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.915 5.356 4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.178 6.835 5.330 1.00 0.00 H new ATOM 0 HG LEU A 50 3.145 6.058 2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.869 5.194 2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.091 4.260 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.076 5.447 4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.217 7.593 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.438 7.939 4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.693 8.412 2.903 1.00 0.00 H new ATOM 792 N ASP A 51 6.292 6.594 6.093 1.00 0.00 N ATOM 793 CA ASP A 51 6.992 6.856 7.345 1.00 0.00 C ATOM 794 C ASP A 51 7.618 8.247 7.335 1.00 0.00 C ATOM 795 O ASP A 51 7.667 8.922 8.363 1.00 0.00 O ATOM 796 CB ASP A 51 8.071 5.798 7.581 1.00 0.00 C ATOM 797 CG ASP A 51 7.501 4.498 8.113 1.00 0.00 C ATOM 798 OD1 ASP A 51 6.846 4.528 9.176 1.00 0.00 O ATOM 799 OD2 ASP A 51 7.710 3.450 7.466 1.00 0.00 O ATOM 0 H ASP A 51 6.363 5.631 5.764 1.00 0.00 H new ATOM 0 HA ASP A 51 6.266 6.810 8.157 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.597 5.605 6.646 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.806 6.184 8.287 1.00 0.00 H new ATOM 804 N GLU A 52 8.097 8.667 6.169 1.00 0.00 N ATOM 805 CA GLU A 52 8.723 9.977 6.027 1.00 0.00 C ATOM 806 C GLU A 52 7.727 11.091 6.336 1.00 0.00 C ATOM 807 O GLU A 52 7.867 11.806 7.329 1.00 0.00 O ATOM 808 CB GLU A 52 9.278 10.151 4.612 1.00 0.00 C ATOM 809 CG GLU A 52 10.602 9.441 4.385 1.00 0.00 C ATOM 810 CD GLU A 52 10.506 7.944 4.603 1.00 0.00 C ATOM 811 OE1 GLU A 52 10.188 7.222 3.636 1.00 0.00 O ATOM 812 OE2 GLU A 52 10.750 7.494 5.743 1.00 0.00 O ATOM 0 H GLU A 52 8.064 8.120 5.309 1.00 0.00 H new ATOM 0 HA GLU A 52 9.544 10.039 6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.547 9.776 3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.406 11.214 4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.944 9.635 3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.352 9.855 5.059 1.00 0.00 H new ATOM 819 N VAL A 53 6.722 11.233 5.479 1.00 0.00 N ATOM 820 CA VAL A 53 5.703 12.259 5.659 1.00 0.00 C ATOM 821 C VAL A 53 4.991 12.098 6.998 1.00 0.00 C ATOM 822 O VAL A 53 4.919 10.998 7.545 1.00 0.00 O ATOM 823 CB VAL A 53 4.658 12.219 4.527 1.00 0.00 C ATOM 824 CG1 VAL A 53 4.046 10.830 4.415 1.00 0.00 C ATOM 825 CG2 VAL A 53 3.582 13.268 4.758 1.00 0.00 C ATOM 0 H VAL A 53 6.592 10.650 4.652 1.00 0.00 H new ATOM 0 HA VAL A 53 6.216 13.221 5.636 1.00 0.00 H new ATOM 0 HB VAL A 53 5.158 12.447 3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.310 10.820 3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.829 10.104 4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.559 10.570 5.355 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.853 13.225 3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.083 13.074 5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.038 14.258 4.783 1.00 0.00 H new ATOM 941 N ILE A 61 -1.667 16.101 2.616 1.00 0.00 N ATOM 942 CA ILE A 61 -0.878 15.171 3.414 1.00 0.00 C ATOM 943 C ILE A 61 -1.767 14.353 4.345 1.00 0.00 C ATOM 944 O ILE A 61 -1.943 13.150 4.154 1.00 0.00 O ATOM 945 CB ILE A 61 0.183 15.908 4.252 1.00 0.00 C ATOM 946 CG1 ILE A 61 1.316 16.408 3.355 1.00 0.00 C ATOM 947 CG2 ILE A 61 0.726 14.995 5.341 1.00 0.00 C ATOM 948 CD1 ILE A 61 2.205 17.436 4.020 1.00 0.00 C ATOM 0 HA ILE A 61 -0.377 14.502 2.714 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.286 16.770 4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.925 15.559 3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.888 16.840 2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.475 15.530 5.925 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.089 14.684 5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.182 14.116 4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.986 17.745 3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.609 18.303 4.305 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.662 17.001 4.909 1.00 0.00 H new ATOM 960 N ARG A 62 -2.328 15.016 5.351 1.00 0.00 N ATOM 961 CA ARG A 62 -3.200 14.351 6.312 1.00 0.00 C ATOM 962 C ARG A 62 -4.122 13.358 5.612 1.00 0.00 C ATOM 963 O ARG A 62 -3.920 12.146 5.692 1.00 0.00 O ATOM 964 CB ARG A 62 -4.031 15.383 7.078 1.00 0.00 C ATOM 965 CG ARG A 62 -5.151 14.771 7.902 1.00 0.00 C ATOM 966 CD ARG A 62 -5.665 15.744 8.953 1.00 0.00 C ATOM 967 NE ARG A 62 -6.958 15.333 9.493 1.00 0.00 N ATOM 968 CZ ARG A 62 -7.688 16.089 10.306 1.00 0.00 C ATOM 969 NH1 ARG A 62 -7.254 17.287 10.670 1.00 0.00 N ATOM 970 NH2 ARG A 62 -8.854 15.645 10.756 1.00 0.00 N ATOM 0 H ARG A 62 -2.194 16.013 5.522 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.573 13.804 7.016 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.374 15.949 7.738 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.458 16.092 6.369 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.970 14.478 7.245 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.792 13.864 8.389 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.940 15.818 9.764 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.755 16.738 8.514 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.320 14.416 9.232 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.357 17.631 10.326 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.816 17.865 11.294 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.190 14.723 10.478 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.414 16.225 11.380 1.00 0.00 H new ATOM 984 N GLU A 63 -5.135 13.879 4.926 1.00 0.00 N ATOM 985 CA GLU A 63 -6.088 13.037 4.214 1.00 0.00 C ATOM 986 C GLU A 63 -5.367 11.961 3.408 1.00 0.00 C ATOM 987 O GLU A 63 -5.494 10.769 3.691 1.00 0.00 O ATOM 988 CB GLU A 63 -6.959 13.887 3.286 1.00 0.00 C ATOM 989 CG GLU A 63 -8.303 13.256 2.964 1.00 0.00 C ATOM 990 CD GLU A 63 -8.929 13.824 1.705 1.00 0.00 C ATOM 991 OE1 GLU A 63 -8.261 13.803 0.649 1.00 0.00 O ATOM 992 OE2 GLU A 63 -10.085 14.289 1.777 1.00 0.00 O ATOM 0 H GLU A 63 -5.316 14.880 4.849 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.724 12.549 4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.126 14.860 3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.419 14.064 2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.176 12.180 2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.982 13.408 3.803 1.00 0.00 H new ATOM 999 N ALA A 64 -4.611 12.388 2.403 1.00 0.00 N ATOM 1000 CA ALA A 64 -3.870 11.462 1.557 1.00 0.00 C ATOM 1001 C ALA A 64 -3.360 10.271 2.362 1.00 0.00 C ATOM 1002 O ALA A 64 -3.549 9.119 1.969 1.00 0.00 O ATOM 1003 CB ALA A 64 -2.709 12.179 0.880 1.00 0.00 C ATOM 0 H ALA A 64 -4.496 13.371 2.155 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.548 11.086 0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.164 11.475 0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.093 12.993 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.038 12.582 1.639 1.00 0.00 H new ATOM 1009 N ARG A 65 -2.716 10.556 3.489 1.00 0.00 N ATOM 1010 CA ARG A 65 -2.179 9.508 4.347 1.00 0.00 C ATOM 1011 C ARG A 65 -3.296 8.614 4.879 1.00 0.00 C ATOM 1012 O ARG A 65 -3.417 7.455 4.485 1.00 0.00 O ATOM 1013 CB ARG A 65 -1.404 10.122 5.515 1.00 0.00 C ATOM 1014 CG ARG A 65 0.070 10.346 5.216 1.00 0.00 C ATOM 1015 CD ARG A 65 0.656 11.440 6.094 1.00 0.00 C ATOM 1016 NE ARG A 65 1.198 10.909 7.342 1.00 0.00 N ATOM 1017 CZ ARG A 65 0.460 10.670 8.421 1.00 0.00 C ATOM 1018 NH1 ARG A 65 -0.843 10.914 8.404 1.00 0.00 N ATOM 1019 NH2 ARG A 65 1.026 10.188 9.519 1.00 0.00 N ATOM 0 H ARG A 65 -2.554 11.504 3.829 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.501 8.898 3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.861 11.075 5.783 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.495 9.470 6.384 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.620 9.418 5.374 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.193 10.615 4.167 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.444 11.959 5.549 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.115 12.177 6.318 1.00 0.00 H new ATOM 0 HE ARG A 65 2.198 10.711 7.388 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.281 11.286 7.561 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.407 10.730 9.233 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.028 10.000 9.536 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.459 10.005 10.347 1.00 0.00 H new ATOM 1033 N ARG A 66 -4.109 9.162 5.775 1.00 0.00 N ATOM 1034 CA ARG A 66 -5.215 8.416 6.362 1.00 0.00 C ATOM 1035 C ARG A 66 -5.851 7.488 5.331 1.00 0.00 C ATOM 1036 O ARG A 66 -6.206 6.350 5.640 1.00 0.00 O ATOM 1037 CB ARG A 66 -6.267 9.375 6.920 1.00 0.00 C ATOM 1038 CG ARG A 66 -7.218 8.726 7.912 1.00 0.00 C ATOM 1039 CD ARG A 66 -8.272 9.708 8.400 1.00 0.00 C ATOM 1040 NE ARG A 66 -7.813 10.474 9.557 1.00 0.00 N ATOM 1041 CZ ARG A 66 -7.808 9.998 10.797 1.00 0.00 C ATOM 1042 NH1 ARG A 66 -8.234 8.766 11.040 1.00 0.00 N ATOM 1043 NH2 ARG A 66 -7.375 10.755 11.797 1.00 0.00 N ATOM 0 H ARG A 66 -4.023 10.121 6.111 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.820 7.810 7.177 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.763 10.211 7.406 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.845 9.788 6.093 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.705 7.871 7.444 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.653 8.345 8.763 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.532 10.392 7.592 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.180 9.165 8.662 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.478 11.425 9.404 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.567 8.181 10.274 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.229 8.403 11.993 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.046 11.703 11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.371 10.389 12.749 1.00 0.00 H new ATOM 1057 N ARG A 67 -5.995 7.982 4.106 1.00 0.00 N ATOM 1058 CA ARG A 67 -6.590 7.199 3.031 1.00 0.00 C ATOM 1059 C ARG A 67 -5.594 6.180 2.484 1.00 0.00 C ATOM 1060 O ARG A 67 -5.956 5.043 2.184 1.00 0.00 O ATOM 1061 CB ARG A 67 -7.065 8.118 1.903 1.00 0.00 C ATOM 1062 CG ARG A 67 -7.539 7.372 0.667 1.00 0.00 C ATOM 1063 CD ARG A 67 -8.334 8.277 -0.260 1.00 0.00 C ATOM 1064 NE ARG A 67 -9.295 7.529 -1.065 1.00 0.00 N ATOM 1065 CZ ARG A 67 -10.428 7.030 -0.582 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -10.739 7.200 0.695 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -11.251 6.360 -1.378 1.00 0.00 N ATOM 0 H ARG A 67 -5.707 8.922 3.833 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.447 6.662 3.439 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.878 8.743 2.273 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.251 8.786 1.623 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.679 6.968 0.133 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.156 6.525 0.967 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.861 9.027 0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.650 8.813 -0.918 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.085 7.381 -2.052 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.108 7.715 1.309 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.609 6.816 1.063 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.014 6.228 -2.361 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.120 5.977 -1.007 1.00 0.00 H new ATOM 1081 N ALA A 68 -4.339 6.596 2.358 1.00 0.00 N ATOM 1082 CA ALA A 68 -3.290 5.720 1.850 1.00 0.00 C ATOM 1083 C ALA A 68 -2.946 4.632 2.862 1.00 0.00 C ATOM 1084 O ALA A 68 -3.103 3.443 2.589 1.00 0.00 O ATOM 1085 CB ALA A 68 -2.050 6.528 1.499 1.00 0.00 C ATOM 0 H ALA A 68 -4.023 7.535 2.601 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.661 5.236 0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.276 5.860 1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.300 7.264 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.685 7.040 2.390 1.00 0.00 H new ATOM 1091 N VAL A 69 -2.473 5.048 4.033 1.00 0.00 N ATOM 1092 CA VAL A 69 -2.106 4.109 5.086 1.00 0.00 C ATOM 1093 C VAL A 69 -3.088 2.945 5.151 1.00 0.00 C ATOM 1094 O VAL A 69 -2.685 1.784 5.239 1.00 0.00 O ATOM 1095 CB VAL A 69 -2.055 4.801 6.461 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -1.737 3.792 7.555 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -1.033 5.929 6.453 1.00 0.00 C ATOM 0 H VAL A 69 -2.335 6.029 4.276 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.114 3.730 4.841 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.035 5.230 6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.705 4.299 8.519 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.508 3.022 7.575 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.770 3.331 7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.011 6.407 7.433 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.047 5.525 6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.309 6.664 5.697 1.00 0.00 H new ATOM 1107 N ILE A 70 -4.377 3.263 5.108 1.00 0.00 N ATOM 1108 CA ILE A 70 -5.417 2.242 5.160 1.00 0.00 C ATOM 1109 C ILE A 70 -5.537 1.512 3.827 1.00 0.00 C ATOM 1110 O ILE A 70 -5.645 0.286 3.788 1.00 0.00 O ATOM 1111 CB ILE A 70 -6.784 2.851 5.525 1.00 0.00 C ATOM 1112 CG1 ILE A 70 -6.767 3.372 6.963 1.00 0.00 C ATOM 1113 CG2 ILE A 70 -7.889 1.819 5.342 1.00 0.00 C ATOM 1114 CD1 ILE A 70 -7.784 4.461 7.223 1.00 0.00 C ATOM 0 H ILE A 70 -4.727 4.219 5.037 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.126 1.532 5.935 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.982 3.690 4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.954 2.542 7.644 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.772 3.754 7.191 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.849 2.264 5.604 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.912 1.491 4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.698 0.963 5.988 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.715 4.782 8.262 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -7.585 5.309 6.567 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.785 4.078 7.027 1.00 0.00 H new ATOM 1126 N GLU A 71 -5.518 2.273 2.737 1.00 0.00 N ATOM 1127 CA GLU A 71 -5.623 1.696 1.402 1.00 0.00 C ATOM 1128 C GLU A 71 -4.480 0.721 1.138 1.00 0.00 C ATOM 1129 O GLU A 71 -4.530 -0.072 0.198 1.00 0.00 O ATOM 1130 CB GLU A 71 -5.621 2.801 0.343 1.00 0.00 C ATOM 1131 CG GLU A 71 -7.007 3.321 0.003 1.00 0.00 C ATOM 1132 CD GLU A 71 -7.033 4.106 -1.295 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -6.748 3.511 -2.355 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -7.339 5.316 -1.249 1.00 0.00 O ATOM 0 H GLU A 71 -5.431 3.289 2.752 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.564 1.149 1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.008 3.630 0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.152 2.422 -0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.698 2.481 -0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.362 3.956 0.815 1.00 0.00 H new ATOM 1141 N VAL A 72 -3.449 0.786 1.974 1.00 0.00 N ATOM 1142 CA VAL A 72 -2.292 -0.090 1.833 1.00 0.00 C ATOM 1143 C VAL A 72 -2.281 -1.164 2.915 1.00 0.00 C ATOM 1144 O VAL A 72 -1.896 -2.306 2.665 1.00 0.00 O ATOM 1145 CB VAL A 72 -0.974 0.704 1.899 1.00 0.00 C ATOM 1146 CG1 VAL A 72 0.214 -0.213 1.654 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -0.991 1.849 0.897 1.00 0.00 C ATOM 0 H VAL A 72 -3.391 1.437 2.757 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.372 -0.564 0.855 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.875 1.128 2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.137 0.365 1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.233 -0.994 2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.125 -0.668 0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.052 2.399 0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.113 1.450 -0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.820 2.519 1.125 1.00 0.00 H new ATOM 1157 N GLN A 73 -2.705 -0.789 4.117 1.00 0.00 N ATOM 1158 CA GLN A 73 -2.744 -1.721 5.238 1.00 0.00 C ATOM 1159 C GLN A 73 -3.903 -2.701 5.091 1.00 0.00 C ATOM 1160 O GLN A 73 -3.895 -3.781 5.683 1.00 0.00 O ATOM 1161 CB GLN A 73 -2.869 -0.958 6.558 1.00 0.00 C ATOM 1162 CG GLN A 73 -1.548 -0.407 7.070 1.00 0.00 C ATOM 1163 CD GLN A 73 -0.733 -1.445 7.816 1.00 0.00 C ATOM 1164 OE1 GLN A 73 -1.261 -2.466 8.258 1.00 0.00 O ATOM 1165 NE2 GLN A 73 0.563 -1.190 7.960 1.00 0.00 N ATOM 0 H GLN A 73 -3.026 0.153 4.340 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.812 -2.287 5.241 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.570 -0.134 6.427 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.293 -1.621 7.312 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.966 -0.029 6.229 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.743 0.439 7.729 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.959 -0.331 7.578 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.162 -1.853 8.453 1.00 0.00 H new ATOM 1174 N THR A 74 -4.899 -2.318 4.300 1.00 0.00 N ATOM 1175 CA THR A 74 -6.067 -3.162 4.077 1.00 0.00 C ATOM 1176 C THR A 74 -5.702 -4.400 3.266 1.00 0.00 C ATOM 1177 O THR A 74 -6.301 -5.463 3.436 1.00 0.00 O ATOM 1178 CB THR A 74 -7.184 -2.394 3.346 1.00 0.00 C ATOM 1179 OG1 THR A 74 -8.454 -2.994 3.624 1.00 0.00 O ATOM 1180 CG2 THR A 74 -6.940 -2.384 1.843 1.00 0.00 C ATOM 0 H THR A 74 -4.921 -1.428 3.802 1.00 0.00 H new ATOM 0 HA THR A 74 -6.429 -3.467 5.059 1.00 0.00 H new ATOM 0 HB THR A 74 -7.182 -1.365 3.705 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.159 -2.499 3.157 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.742 -1.836 1.348 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.986 -1.900 1.632 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.917 -3.408 1.471 1.00 0.00 H new ATOM 1188 N LEU A 75 -4.718 -4.257 2.386 1.00 0.00 N ATOM 1189 CA LEU A 75 -4.272 -5.366 1.549 1.00 0.00 C ATOM 1190 C LEU A 75 -3.409 -6.338 2.347 1.00 0.00 C ATOM 1191 O LEU A 75 -3.591 -7.553 2.269 1.00 0.00 O ATOM 1192 CB LEU A 75 -3.489 -4.839 0.345 1.00 0.00 C ATOM 1193 CG LEU A 75 -4.326 -4.350 -0.837 1.00 0.00 C ATOM 1194 CD1 LEU A 75 -3.494 -3.459 -1.747 1.00 0.00 C ATOM 1195 CD2 LEU A 75 -4.893 -5.528 -1.615 1.00 0.00 C ATOM 0 H LEU A 75 -4.213 -3.384 2.233 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.154 -5.900 1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.855 -4.018 0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.827 -5.630 -0.007 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.159 -3.763 -0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.106 -3.120 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.138 -2.596 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.641 -4.022 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.486 -5.160 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.075 -6.143 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.525 -6.127 -0.959 1.00 0.00 H new ATOM 1207 N ILE A 76 -2.470 -5.794 3.115 1.00 0.00 N ATOM 1208 CA ILE A 76 -1.581 -6.613 3.929 1.00 0.00 C ATOM 1209 C ILE A 76 -2.371 -7.592 4.791 1.00 0.00 C ATOM 1210 O ILE A 76 -1.948 -8.729 5.006 1.00 0.00 O ATOM 1211 CB ILE A 76 -0.693 -5.745 4.840 1.00 0.00 C ATOM 1212 CG1 ILE A 76 0.391 -5.046 4.016 1.00 0.00 C ATOM 1213 CG2 ILE A 76 -0.068 -6.595 5.936 1.00 0.00 C ATOM 1214 CD1 ILE A 76 1.147 -3.988 4.788 1.00 0.00 C ATOM 0 H ILE A 76 -2.306 -4.790 3.190 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.946 -7.170 3.240 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.315 -4.982 5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.097 -5.792 3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.068 -4.587 3.141 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.557 -5.967 6.572 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.855 -7.050 6.537 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.543 -7.377 5.486 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.899 -3.534 4.143 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.452 -3.221 5.130 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.635 -4.445 5.649 1.00 0.00 H new ATOM 1226 N THR A 77 -3.522 -7.144 5.282 1.00 0.00 N ATOM 1227 CA THR A 77 -4.373 -7.980 6.120 1.00 0.00 C ATOM 1228 C THR A 77 -5.097 -9.034 5.290 1.00 0.00 C ATOM 1229 O THR A 77 -5.080 -10.219 5.623 1.00 0.00 O ATOM 1230 CB THR A 77 -5.414 -7.138 6.881 1.00 0.00 C ATOM 1231 OG1 THR A 77 -4.756 -6.255 7.797 1.00 0.00 O ATOM 1232 CG2 THR A 77 -6.383 -8.031 7.639 1.00 0.00 C ATOM 0 H THR A 77 -3.887 -6.206 5.114 1.00 0.00 H new ATOM 0 HA THR A 77 -3.720 -8.474 6.840 1.00 0.00 H new ATOM 0 HB THR A 77 -5.977 -6.553 6.153 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.425 -5.722 8.275 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.109 -7.414 8.169 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.904 -8.681 6.936 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.832 -8.639 8.356 1.00 0.00 H new ATOM 1240 N TYR A 78 -5.731 -8.596 4.209 1.00 0.00 N ATOM 1241 CA TYR A 78 -6.463 -9.501 3.332 1.00 0.00 C ATOM 1242 C TYR A 78 -5.628 -10.737 3.006 1.00 0.00 C ATOM 1243 O TYR A 78 -6.160 -11.838 2.863 1.00 0.00 O ATOM 1244 CB TYR A 78 -6.860 -8.785 2.041 1.00 0.00 C ATOM 1245 CG TYR A 78 -7.230 -9.725 0.915 1.00 0.00 C ATOM 1246 CD1 TYR A 78 -8.422 -10.439 0.944 1.00 0.00 C ATOM 1247 CD2 TYR A 78 -6.388 -9.900 -0.175 1.00 0.00 C ATOM 1248 CE1 TYR A 78 -8.763 -11.299 -0.082 1.00 0.00 C ATOM 1249 CE2 TYR A 78 -6.721 -10.757 -1.206 1.00 0.00 C ATOM 1250 CZ TYR A 78 -7.910 -11.456 -1.155 1.00 0.00 C ATOM 1251 OH TYR A 78 -8.247 -12.310 -2.179 1.00 0.00 O ATOM 0 H TYR A 78 -5.753 -7.618 3.919 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.365 -9.821 3.853 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.704 -8.127 2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.034 -8.152 1.718 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.093 -10.320 1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.456 -9.356 -0.218 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.693 -11.846 -0.044 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.055 -10.879 -2.047 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.539 -12.304 -2.856 1.00 0.00 H new ATOM 1261 N ILE A 79 -4.319 -10.544 2.890 1.00 0.00 N ATOM 1262 CA ILE A 79 -3.410 -11.641 2.583 1.00 0.00 C ATOM 1263 C ILE A 79 -3.190 -12.530 3.801 1.00 0.00 C ATOM 1264 O ILE A 79 -3.378 -13.746 3.738 1.00 0.00 O ATOM 1265 CB ILE A 79 -2.048 -11.121 2.088 1.00 0.00 C ATOM 1266 CG1 ILE A 79 -2.225 -10.292 0.815 1.00 0.00 C ATOM 1267 CG2 ILE A 79 -1.095 -12.282 1.842 1.00 0.00 C ATOM 1268 CD1 ILE A 79 -1.109 -9.298 0.580 1.00 0.00 C ATOM 0 H ILE A 79 -3.864 -9.638 3.004 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.877 -12.225 1.790 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.619 -10.481 2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.288 -10.964 -0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.172 -9.756 0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.137 -11.898 1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.948 -12.835 2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.517 -12.946 1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.301 -8.746 -0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.059 -8.602 1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.161 -9.829 0.493 1.00 0.00 H new ATOM 1280 N ASP A 80 -2.792 -11.917 4.911 1.00 0.00 N ATOM 1281 CA ASP A 80 -2.549 -12.653 6.146 1.00 0.00 C ATOM 1282 C ASP A 80 -3.591 -13.750 6.339 1.00 0.00 C ATOM 1283 O ASP A 80 -3.258 -14.883 6.688 1.00 0.00 O ATOM 1284 CB ASP A 80 -2.566 -11.700 7.343 1.00 0.00 C ATOM 1285 CG ASP A 80 -2.284 -12.411 8.652 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -1.509 -13.391 8.640 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -2.838 -11.988 9.688 1.00 0.00 O ATOM 0 H ASP A 80 -2.631 -10.912 4.980 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.566 -13.119 6.075 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.823 -10.917 7.191 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.538 -11.211 7.401 1.00 0.00 H new ATOM 1292 N LEU A 81 -4.854 -13.407 6.110 1.00 0.00 N ATOM 1293 CA LEU A 81 -5.946 -14.362 6.260 1.00 0.00 C ATOM 1294 C LEU A 81 -5.830 -15.486 5.236 1.00 0.00 C ATOM 1295 O LEU A 81 -5.810 -16.665 5.590 1.00 0.00 O ATOM 1296 CB LEU A 81 -7.294 -13.655 6.107 1.00 0.00 C ATOM 1297 CG LEU A 81 -7.810 -12.919 7.343 1.00 0.00 C ATOM 1298 CD1 LEU A 81 -7.230 -11.515 7.411 1.00 0.00 C ATOM 1299 CD2 LEU A 81 -9.331 -12.870 7.339 1.00 0.00 C ATOM 0 H LEU A 81 -5.147 -12.474 5.820 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.882 -14.796 7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.215 -12.939 5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.038 -14.395 5.812 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.486 -13.466 8.228 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.609 -11.007 8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.143 -11.573 7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.522 -10.957 6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.680 -12.342 8.226 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.676 -12.347 6.447 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.728 -13.885 7.341 1.00 0.00 H new ATOM 1311 N LYS A 82 -5.750 -15.115 3.963 1.00 0.00 N ATOM 1312 CA LYS A 82 -5.633 -16.090 2.886 1.00 0.00 C ATOM 1313 C LYS A 82 -4.431 -17.003 3.108 1.00 0.00 C ATOM 1314 O LYS A 82 -4.587 -18.195 3.371 1.00 0.00 O ATOM 1315 CB LYS A 82 -5.502 -15.378 1.536 1.00 0.00 C ATOM 1316 CG LYS A 82 -6.710 -14.531 1.176 1.00 0.00 C ATOM 1317 CD LYS A 82 -7.834 -15.378 0.604 1.00 0.00 C ATOM 1318 CE LYS A 82 -9.144 -14.607 0.554 1.00 0.00 C ATOM 1319 NZ LYS A 82 -10.276 -15.463 0.105 1.00 0.00 N ATOM 0 H LYS A 82 -5.764 -14.144 3.652 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.536 -16.700 2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.616 -14.743 1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.345 -16.123 0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.064 -14.005 2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.420 -13.772 0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.567 -15.709 -0.400 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.961 -16.274 1.212 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.365 -14.202 1.542 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.040 -13.759 -0.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.150 -14.900 0.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.078 -15.829 -0.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.392 -16.259 0.764 1.00 0.00 H new ATOM 1333 N GLU A 83 -3.234 -16.436 3.003 1.00 0.00 N ATOM 1334 CA GLU A 83 -2.006 -17.200 3.194 1.00 0.00 C ATOM 1335 C GLU A 83 -2.178 -18.236 4.302 1.00 0.00 C ATOM 1336 O GLU A 83 -1.998 -19.433 4.080 1.00 0.00 O ATOM 1337 CB GLU A 83 -0.844 -16.264 3.531 1.00 0.00 C ATOM 1338 CG GLU A 83 0.512 -16.803 3.109 1.00 0.00 C ATOM 1339 CD GLU A 83 1.120 -17.731 4.144 1.00 0.00 C ATOM 1340 OE1 GLU A 83 1.111 -17.371 5.340 1.00 0.00 O ATOM 1341 OE2 GLU A 83 1.603 -18.816 3.758 1.00 0.00 O ATOM 0 H GLU A 83 -3.088 -15.450 2.787 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.784 -17.722 2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.011 -15.302 3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.835 -16.082 4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.408 -17.337 2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.191 -15.969 2.931 1.00 0.00 H new