USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 13 ASN : amide:sc= -8.15! C(o=-8.2!,f=-11!) USER MOD Single : A 15 ASN : amide:sc= -0.513 X(o=-0.51,f=-0.49) USER MOD Single : A 16 ASN : amide:sc= -1 X(o=-1,f=-1.3) USER MOD Single : A 21 THR OG1 : rot 71:sc= -0.104 USER MOD Single : A 31 ASN : amide:sc=-0.00724 X(o=-0.0072,f=-0.0072) USER MOD Single : A 32 LYS NZ :NH3+ -143:sc= -0.35 (180deg=-1.17!) USER MOD Single : A 39 LYS NZ :NH3+ -138:sc= -2.71 (180deg=-7.17!) USER MOD Single : A 42 MET CE :methyl 171:sc= 0 (180deg=-0.0951) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.568 USER MOD Single : A 48 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.29) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 63 GLN : amide:sc= -0.0912 K(o=-0.091,f=-0.92) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -20.4! C(o=-24!,f=-20!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -145:sc= -0.377 USER MOD Single : A 79 HIS : no HE2:sc= -1.36 X(o=-1.4,f=-1.3) USER MOD Single : A 81 THR OG1 : rot -160:sc= -0.969 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl -132:sc= -0.833 (180deg=-2.24!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 ASN : amide:sc= -0.762 K(o=-0.76,f=-5.3!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.573 -5.597 -1.341 1.00 0.00 N ATOM 21 CA LYS A 2 -20.410 -4.860 -1.819 1.00 0.00 C ATOM 22 C LYS A 2 -19.137 -5.683 -1.650 1.00 0.00 C ATOM 23 O LYS A 2 -18.912 -6.292 -0.604 1.00 0.00 O ATOM 24 CB LYS A 2 -20.278 -3.530 -1.075 1.00 0.00 C ATOM 25 CG LYS A 2 -19.820 -2.381 -1.959 1.00 0.00 C ATOM 26 CD LYS A 2 -20.465 -1.068 -1.545 1.00 0.00 C ATOM 27 CE LYS A 2 -19.516 0.105 -1.737 1.00 0.00 C ATOM 28 NZ LYS A 2 -19.835 0.882 -2.966 1.00 0.00 N ATOM 0 HA LYS A 2 -20.551 -4.658 -2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.240 -3.275 -0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.570 -3.651 -0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -18.735 -2.288 -1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.069 -2.598 -2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -21.369 -0.905 -2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -20.768 -1.124 -0.500 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -19.570 0.761 -0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -18.492 -0.263 -1.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -19.166 1.672 -3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -19.759 0.262 -3.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -20.804 1.255 -2.899 1.00 0.00 H new ATOM 42 N LYS A 3 -18.309 -5.693 -2.688 1.00 0.00 N ATOM 43 CA LYS A 3 -17.054 -6.436 -2.665 1.00 0.00 C ATOM 44 C LYS A 3 -15.947 -5.640 -3.345 1.00 0.00 C ATOM 45 O LYS A 3 -16.118 -5.152 -4.463 1.00 0.00 O ATOM 46 CB LYS A 3 -17.226 -7.795 -3.348 1.00 0.00 C ATOM 47 CG LYS A 3 -17.470 -7.701 -4.846 1.00 0.00 C ATOM 48 CD LYS A 3 -17.696 -9.073 -5.462 1.00 0.00 C ATOM 49 CE LYS A 3 -19.173 -9.340 -5.708 1.00 0.00 C ATOM 50 NZ LYS A 3 -19.655 -10.531 -4.956 1.00 0.00 N ATOM 0 H LYS A 3 -18.485 -5.193 -3.559 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.772 -6.601 -1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.334 -8.396 -3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -18.061 -8.321 -2.885 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.338 -7.069 -5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.616 -7.222 -5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.151 -9.144 -6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.292 -9.840 -4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -19.754 -8.466 -5.414 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -19.342 -9.491 -6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.666 -10.679 -5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.119 -11.370 -5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.518 -10.377 -3.937 1.00 0.00 H new ATOM 64 N LEU A 4 -14.816 -5.500 -2.663 1.00 0.00 N ATOM 65 CA LEU A 4 -13.693 -4.747 -3.205 1.00 0.00 C ATOM 66 C LEU A 4 -12.352 -5.334 -2.766 1.00 0.00 C ATOM 67 O LEU A 4 -12.185 -5.737 -1.617 1.00 0.00 O ATOM 68 CB LEU A 4 -13.795 -3.290 -2.758 1.00 0.00 C ATOM 69 CG LEU A 4 -13.691 -3.076 -1.248 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.243 -2.862 -0.841 1.00 0.00 C ATOM 71 CD2 LEU A 4 -14.552 -1.898 -0.819 1.00 0.00 C ATOM 0 H LEU A 4 -14.653 -5.897 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.738 -4.807 -4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.007 -2.718 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.745 -2.884 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.059 -3.970 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.187 -2.711 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.655 -3.737 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.848 -1.984 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.467 -1.759 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.215 -0.996 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -15.592 -2.094 -1.079 1.00 0.00 H new ATOM 83 N GLN A 5 -11.401 -5.373 -3.694 1.00 0.00 N ATOM 84 CA GLN A 5 -10.070 -5.902 -3.412 1.00 0.00 C ATOM 85 C GLN A 5 -9.040 -4.785 -3.300 1.00 0.00 C ATOM 86 O GLN A 5 -9.223 -3.695 -3.844 1.00 0.00 O ATOM 87 CB GLN A 5 -9.644 -6.874 -4.504 1.00 0.00 C ATOM 88 CG GLN A 5 -10.728 -7.867 -4.865 1.00 0.00 C ATOM 89 CD GLN A 5 -10.227 -8.984 -5.760 1.00 0.00 C ATOM 90 OE1 GLN A 5 -9.055 -9.019 -6.133 1.00 0.00 O ATOM 91 NE2 GLN A 5 -11.118 -9.907 -6.107 1.00 0.00 N ATOM 0 H GLN A 5 -11.528 -5.044 -4.651 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.120 -6.424 -2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.362 -6.312 -5.394 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.757 -7.416 -4.175 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.140 -8.296 -3.952 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.542 -7.343 -5.366 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -12.080 -9.838 -5.774 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.840 -10.684 -6.706 1.00 0.00 H new ATOM 100 N ILE A 6 -7.956 -5.064 -2.586 1.00 0.00 N ATOM 101 CA ILE A 6 -6.894 -4.094 -2.393 1.00 0.00 C ATOM 102 C ILE A 6 -5.530 -4.773 -2.307 1.00 0.00 C ATOM 103 O ILE A 6 -5.327 -5.667 -1.484 1.00 0.00 O ATOM 104 CB ILE A 6 -7.116 -3.286 -1.111 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.562 -2.785 -1.034 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.134 -2.135 -1.056 1.00 0.00 C ATOM 107 CD1 ILE A 6 -8.839 -1.913 0.171 1.00 0.00 C ATOM 0 H ILE A 6 -7.792 -5.961 -2.130 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.913 -3.429 -3.256 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.943 -3.929 -0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.791 -2.223 -1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.234 -3.643 -1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.295 -1.563 -0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.116 -2.524 -1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.283 -1.488 -1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.882 -1.596 0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.642 -2.478 1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.193 -1.036 0.142 1.00 0.00 H new ATOM 119 N ALA A 7 -4.587 -4.330 -3.134 1.00 0.00 N ATOM 120 CA ALA A 7 -3.240 -4.885 -3.111 1.00 0.00 C ATOM 121 C ALA A 7 -2.236 -3.768 -2.920 1.00 0.00 C ATOM 122 O ALA A 7 -2.233 -2.807 -3.677 1.00 0.00 O ATOM 123 CB ALA A 7 -2.947 -5.656 -4.391 1.00 0.00 C ATOM 0 H ALA A 7 -4.731 -3.593 -3.824 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.161 -5.584 -2.278 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.936 -6.060 -4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.660 -6.474 -4.495 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.035 -4.987 -5.247 1.00 0.00 H new ATOM 129 N VAL A 8 -1.388 -3.874 -1.913 1.00 0.00 N ATOM 130 CA VAL A 8 -0.410 -2.827 -1.674 1.00 0.00 C ATOM 131 C VAL A 8 0.908 -3.385 -1.163 1.00 0.00 C ATOM 132 O VAL A 8 0.960 -4.468 -0.584 1.00 0.00 O ATOM 133 CB VAL A 8 -0.952 -1.749 -0.700 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.387 -2.054 -0.287 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.065 -1.610 0.532 1.00 0.00 C ATOM 0 H VAL A 8 -1.355 -4.657 -1.260 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.223 -2.354 -2.638 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.940 -0.798 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.741 -1.282 0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.023 -2.076 -1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.424 -3.023 0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.476 -0.846 1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.025 -2.562 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.941 -1.322 0.226 1.00 0.00 H new ATOM 145 N GLY A 9 1.968 -2.620 -1.376 1.00 0.00 N ATOM 146 CA GLY A 9 3.280 -3.025 -0.931 1.00 0.00 C ATOM 147 C GLY A 9 4.128 -1.839 -0.523 1.00 0.00 C ATOM 148 O GLY A 9 4.330 -0.915 -1.311 1.00 0.00 O ATOM 0 H GLY A 9 1.939 -1.719 -1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.182 -3.709 -0.088 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.781 -3.572 -1.729 1.00 0.00 H new ATOM 152 N ILE A 10 4.633 -1.863 0.703 1.00 0.00 N ATOM 153 CA ILE A 10 5.473 -0.773 1.193 1.00 0.00 C ATOM 154 C ILE A 10 6.815 -0.813 0.476 1.00 0.00 C ATOM 155 O ILE A 10 7.587 -1.752 0.656 1.00 0.00 O ATOM 156 CB ILE A 10 5.715 -0.834 2.728 1.00 0.00 C ATOM 157 CG1 ILE A 10 5.009 -2.036 3.370 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.253 0.458 3.385 1.00 0.00 C ATOM 159 CD1 ILE A 10 5.164 -2.098 4.874 1.00 0.00 C ATOM 0 H ILE A 10 4.479 -2.617 1.373 1.00 0.00 H new ATOM 0 HA ILE A 10 4.943 0.157 0.986 1.00 0.00 H new ATOM 0 HB ILE A 10 6.786 -0.957 2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.948 -1.997 3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.404 -2.954 2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.428 0.403 4.459 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.811 1.297 2.969 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.189 0.601 3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.639 -2.973 5.258 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.222 -2.169 5.128 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.743 -1.197 5.321 1.00 0.00 H new ATOM 171 N ILE A 11 7.080 0.194 -0.353 1.00 0.00 N ATOM 172 CA ILE A 11 8.326 0.240 -1.114 1.00 0.00 C ATOM 173 C ILE A 11 9.516 0.523 -0.212 1.00 0.00 C ATOM 174 O ILE A 11 9.578 1.552 0.456 1.00 0.00 O ATOM 175 CB ILE A 11 8.289 1.297 -2.238 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.875 1.429 -2.817 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.284 0.921 -3.329 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.844 1.988 -4.225 1.00 0.00 C ATOM 0 H ILE A 11 6.454 0.983 -0.514 1.00 0.00 H new ATOM 0 HA ILE A 11 8.436 -0.745 -1.567 1.00 0.00 H new ATOM 0 HB ILE A 11 8.569 2.264 -1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.398 0.449 -2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.284 2.074 -2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.255 1.669 -4.121 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.288 0.878 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.021 -0.053 -3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.811 2.053 -4.568 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.292 2.982 -4.232 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.407 1.332 -4.889 1.00 0.00 H new ATOM 190 N ARG A 12 10.458 -0.413 -0.196 1.00 0.00 N ATOM 191 CA ARG A 12 11.653 -0.290 0.628 1.00 0.00 C ATOM 192 C ARG A 12 12.731 0.531 -0.066 1.00 0.00 C ATOM 193 O ARG A 12 13.149 0.211 -1.181 1.00 0.00 O ATOM 194 CB ARG A 12 12.203 -1.673 0.979 1.00 0.00 C ATOM 195 CG ARG A 12 11.969 -2.066 2.427 1.00 0.00 C ATOM 196 CD ARG A 12 13.278 -2.229 3.184 1.00 0.00 C ATOM 197 NE ARG A 12 14.151 -3.220 2.559 1.00 0.00 N ATOM 198 CZ ARG A 12 13.996 -4.535 2.695 1.00 0.00 C ATOM 199 NH1 ARG A 12 13.005 -5.021 3.431 1.00 0.00 N ATOM 200 NH2 ARG A 12 14.835 -5.367 2.093 1.00 0.00 N ATOM 0 H ARG A 12 10.416 -1.270 -0.748 1.00 0.00 H new ATOM 0 HA ARG A 12 11.367 0.229 1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.740 -2.416 0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.273 -1.693 0.773 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.358 -1.307 2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.408 -3.000 2.465 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.793 -1.269 3.229 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.068 -2.527 4.211 1.00 0.00 H new ATOM 0 HE ARG A 12 14.924 -2.885 1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.357 -4.386 3.896 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.891 -6.030 3.531 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.599 -4.999 1.526 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.716 -6.375 2.197 1.00 0.00 H new ATOM 214 N ASN A 13 13.176 1.582 0.620 1.00 0.00 N ATOM 215 CA ASN A 13 14.216 2.468 0.104 1.00 0.00 C ATOM 216 C ASN A 13 15.604 1.887 0.312 1.00 0.00 C ATOM 217 O ASN A 13 15.770 0.735 0.713 1.00 0.00 O ATOM 218 CB ASN A 13 14.153 3.843 0.757 1.00 0.00 C ATOM 219 CG ASN A 13 14.672 4.949 -0.141 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.819 4.767 -1.350 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.957 6.105 0.447 1.00 0.00 N ATOM 0 H ASN A 13 12.828 1.842 1.543 1.00 0.00 H new ATOM 0 HA ASN A 13 14.029 2.569 -0.965 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.121 4.061 1.034 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.734 3.828 1.679 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.312 6.885 -0.106 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.820 6.213 1.452 1.00 0.00 H new ATOM 228 N GLU A 14 16.592 2.711 0.013 1.00 0.00 N ATOM 229 CA GLU A 14 17.997 2.339 0.128 1.00 0.00 C ATOM 230 C GLU A 14 18.523 2.497 1.559 1.00 0.00 C ATOM 231 O GLU A 14 19.717 2.325 1.805 1.00 0.00 O ATOM 232 CB GLU A 14 18.819 3.206 -0.827 1.00 0.00 C ATOM 233 CG GLU A 14 20.321 2.981 -0.732 1.00 0.00 C ATOM 234 CD GLU A 14 21.008 3.062 -2.081 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.572 2.355 -3.013 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.983 3.834 -2.205 1.00 0.00 O ATOM 0 H GLU A 14 16.445 3.664 -0.319 1.00 0.00 H new ATOM 0 HA GLU A 14 18.092 1.285 -0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.497 3.008 -1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.606 4.255 -0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.754 3.724 -0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.511 2.003 -0.289 1.00 0.00 H new ATOM 243 N ASN A 15 17.645 2.829 2.502 1.00 0.00 N ATOM 244 CA ASN A 15 18.062 3.009 3.890 1.00 0.00 C ATOM 245 C ASN A 15 17.044 2.418 4.861 1.00 0.00 C ATOM 246 O ASN A 15 16.603 3.085 5.798 1.00 0.00 O ATOM 247 CB ASN A 15 18.267 4.496 4.189 1.00 0.00 C ATOM 248 CG ASN A 15 18.781 4.739 5.594 1.00 0.00 C ATOM 249 OD1 ASN A 15 18.172 5.475 6.372 1.00 0.00 O ATOM 250 ND2 ASN A 15 19.908 4.121 5.928 1.00 0.00 N ATOM 0 H ASN A 15 16.650 2.978 2.333 1.00 0.00 H new ATOM 0 HA ASN A 15 19.004 2.478 4.027 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.972 4.914 3.470 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.323 5.024 4.054 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.302 4.247 6.860 1.00 0.00 H new ATOM 0 HD22 ASN A 15 20.380 3.520 5.252 1.00 0.00 H new ATOM 257 N ASN A 16 16.671 1.160 4.632 1.00 0.00 N ATOM 258 CA ASN A 16 15.699 0.470 5.486 1.00 0.00 C ATOM 259 C ASN A 16 14.487 1.356 5.775 1.00 0.00 C ATOM 260 O ASN A 16 13.798 1.178 6.780 1.00 0.00 O ATOM 261 CB ASN A 16 16.341 0.015 6.807 1.00 0.00 C ATOM 262 CG ASN A 16 17.750 0.545 7.006 1.00 0.00 C ATOM 263 OD1 ASN A 16 18.685 0.130 6.321 1.00 0.00 O ATOM 264 ND2 ASN A 16 17.907 1.467 7.949 1.00 0.00 N ATOM 0 H ASN A 16 17.027 0.595 3.861 1.00 0.00 H new ATOM 0 HA ASN A 16 15.363 -0.412 4.941 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.717 0.343 7.638 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.363 -1.074 6.836 1.00 0.00 H new ATOM 0 HD21 ASN A 16 18.831 1.860 8.129 1.00 0.00 H new ATOM 0 HD22 ASN A 16 17.104 1.782 8.493 1.00 0.00 H new ATOM 271 N GLU A 17 14.227 2.299 4.878 1.00 0.00 N ATOM 272 CA GLU A 17 13.095 3.203 5.017 1.00 0.00 C ATOM 273 C GLU A 17 12.167 3.031 3.828 1.00 0.00 C ATOM 274 O GLU A 17 12.623 2.828 2.709 1.00 0.00 O ATOM 275 CB GLU A 17 13.574 4.653 5.110 1.00 0.00 C ATOM 276 CG GLU A 17 14.477 5.069 3.961 1.00 0.00 C ATOM 277 CD GLU A 17 15.100 6.435 4.175 1.00 0.00 C ATOM 278 OE1 GLU A 17 15.155 6.886 5.338 1.00 0.00 O ATOM 279 OE2 GLU A 17 15.534 7.052 3.179 1.00 0.00 O ATOM 0 H GLU A 17 14.789 2.457 4.042 1.00 0.00 H new ATOM 0 HA GLU A 17 12.557 2.964 5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.707 5.313 5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.109 4.791 6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.267 4.328 3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.901 5.077 3.036 1.00 0.00 H new ATOM 286 N ILE A 18 10.867 3.090 4.066 1.00 0.00 N ATOM 287 CA ILE A 18 9.902 2.916 2.992 1.00 0.00 C ATOM 288 C ILE A 18 9.139 4.204 2.704 1.00 0.00 C ATOM 289 O ILE A 18 8.812 4.968 3.612 1.00 0.00 O ATOM 290 CB ILE A 18 8.910 1.785 3.330 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.599 0.425 3.219 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.681 1.836 2.429 1.00 0.00 C ATOM 293 CD1 ILE A 18 9.100 -0.589 4.225 1.00 0.00 C ATOM 0 H ILE A 18 10.458 3.256 4.985 1.00 0.00 H new ATOM 0 HA ILE A 18 10.462 2.647 2.096 1.00 0.00 H new ATOM 0 HB ILE A 18 8.575 1.928 4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.449 0.032 2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.673 0.559 3.352 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.002 1.025 2.694 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.173 2.792 2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.988 1.727 1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.633 -1.530 4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.275 -0.217 5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.032 -0.752 4.078 1.00 0.00 H new ATOM 305 N PHE A 19 8.852 4.427 1.426 1.00 0.00 N ATOM 306 CA PHE A 19 8.118 5.605 0.995 1.00 0.00 C ATOM 307 C PHE A 19 6.616 5.320 0.981 1.00 0.00 C ATOM 308 O PHE A 19 6.153 4.415 0.289 1.00 0.00 O ATOM 309 CB PHE A 19 8.602 6.050 -0.396 1.00 0.00 C ATOM 310 CG PHE A 19 7.519 6.123 -1.440 1.00 0.00 C ATOM 311 CD1 PHE A 19 7.153 4.995 -2.158 1.00 0.00 C ATOM 312 CD2 PHE A 19 6.866 7.317 -1.699 1.00 0.00 C ATOM 313 CE1 PHE A 19 6.156 5.058 -3.114 1.00 0.00 C ATOM 314 CE2 PHE A 19 5.869 7.386 -2.654 1.00 0.00 C ATOM 315 CZ PHE A 19 5.514 6.255 -3.361 1.00 0.00 C ATOM 0 H PHE A 19 9.120 3.800 0.667 1.00 0.00 H new ATOM 0 HA PHE A 19 8.304 6.415 1.701 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.070 7.030 -0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.372 5.358 -0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.652 4.056 -1.968 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.139 8.205 -1.148 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.880 4.172 -3.667 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.369 8.323 -2.847 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.735 6.306 -4.107 1.00 0.00 H new ATOM 325 N ILE A 20 5.863 6.103 1.742 1.00 0.00 N ATOM 326 CA ILE A 20 4.416 5.939 1.807 1.00 0.00 C ATOM 327 C ILE A 20 3.724 7.227 1.376 1.00 0.00 C ATOM 328 O ILE A 20 4.110 8.318 1.796 1.00 0.00 O ATOM 329 CB ILE A 20 3.933 5.556 3.228 1.00 0.00 C ATOM 330 CG1 ILE A 20 5.115 5.392 4.189 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.109 4.277 3.180 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.704 5.323 5.643 1.00 0.00 C ATOM 0 H ILE A 20 6.229 6.857 2.323 1.00 0.00 H new ATOM 0 HA ILE A 20 4.156 5.125 1.131 1.00 0.00 H new ATOM 0 HB ILE A 20 3.306 6.366 3.600 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.660 4.484 3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.802 6.227 4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.777 4.020 4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.241 4.427 2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.719 3.466 2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.590 5.207 6.267 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.184 6.241 5.918 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.040 4.471 5.794 1.00 0.00 H new ATOM 344 N THR A 21 2.705 7.101 0.535 1.00 0.00 N ATOM 345 CA THR A 21 1.976 8.269 0.054 1.00 0.00 C ATOM 346 C THR A 21 1.138 8.882 1.167 1.00 0.00 C ATOM 347 O THR A 21 0.165 8.284 1.629 1.00 0.00 O ATOM 348 CB THR A 21 1.083 7.898 -1.131 1.00 0.00 C ATOM 349 OG1 THR A 21 0.143 8.924 -1.390 1.00 0.00 O ATOM 350 CG2 THR A 21 0.313 6.611 -0.927 1.00 0.00 C ATOM 0 H THR A 21 2.366 6.209 0.174 1.00 0.00 H new ATOM 0 HA THR A 21 2.707 9.007 -0.276 1.00 0.00 H new ATOM 0 HB THR A 21 1.764 7.763 -1.971 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.603 9.701 -1.770 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.299 6.410 -1.806 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.012 5.789 -0.776 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.330 6.706 -0.052 1.00 0.00 H new ATOM 358 N ARG A 22 1.523 10.079 1.595 1.00 0.00 N ATOM 359 CA ARG A 22 0.814 10.782 2.655 1.00 0.00 C ATOM 360 C ARG A 22 0.643 12.254 2.306 1.00 0.00 C ATOM 361 O ARG A 22 1.597 12.923 1.907 1.00 0.00 O ATOM 362 CB ARG A 22 1.568 10.642 3.979 1.00 0.00 C ATOM 363 CG ARG A 22 2.927 11.325 3.982 1.00 0.00 C ATOM 364 CD ARG A 22 3.788 10.849 5.140 1.00 0.00 C ATOM 365 NE ARG A 22 4.978 11.680 5.316 1.00 0.00 N ATOM 366 CZ ARG A 22 4.968 12.873 5.905 1.00 0.00 C ATOM 367 NH1 ARG A 22 3.835 13.379 6.377 1.00 0.00 N ATOM 368 NH2 ARG A 22 6.094 13.561 6.025 1.00 0.00 N ATOM 0 H ARG A 22 2.327 10.584 1.221 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.174 10.335 2.760 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.959 11.060 4.780 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.702 9.583 4.201 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.438 11.124 3.041 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.792 12.405 4.047 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.200 10.860 6.057 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.090 9.816 4.967 1.00 0.00 H new ATOM 0 HE ARG A 22 5.868 11.324 4.967 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.966 12.853 6.289 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.834 14.294 6.828 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.968 13.176 5.666 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.087 14.476 6.476 1.00 0.00 H new ATOM 493 N ASN A 31 -4.805 12.341 5.862 1.00 0.00 N ATOM 494 CA ASN A 31 -5.570 11.141 6.184 1.00 0.00 C ATOM 495 C ASN A 31 -5.414 10.064 5.106 1.00 0.00 C ATOM 496 O ASN A 31 -6.094 9.039 5.146 1.00 0.00 O ATOM 497 CB ASN A 31 -7.050 11.492 6.351 1.00 0.00 C ATOM 498 CG ASN A 31 -7.780 10.512 7.247 1.00 0.00 C ATOM 499 OD1 ASN A 31 -8.511 9.643 6.771 1.00 0.00 O ATOM 500 ND2 ASN A 31 -7.584 10.646 8.554 1.00 0.00 N ATOM 0 HA ASN A 31 -5.179 10.741 7.119 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.138 12.495 6.768 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.529 11.511 5.372 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.048 10.014 9.207 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.969 11.381 8.905 1.00 0.00 H new ATOM 507 N LYS A 32 -4.526 10.301 4.141 1.00 0.00 N ATOM 508 CA LYS A 32 -4.306 9.344 3.058 1.00 0.00 C ATOM 509 C LYS A 32 -2.907 8.746 3.105 1.00 0.00 C ATOM 510 O LYS A 32 -2.367 8.328 2.080 1.00 0.00 O ATOM 511 CB LYS A 32 -4.553 10.000 1.701 1.00 0.00 C ATOM 512 CG LYS A 32 -5.742 9.420 0.956 1.00 0.00 C ATOM 513 CD LYS A 32 -6.951 10.339 1.027 1.00 0.00 C ATOM 514 CE LYS A 32 -7.752 10.108 2.298 1.00 0.00 C ATOM 515 NZ LYS A 32 -8.061 8.666 2.506 1.00 0.00 N ATOM 0 H LYS A 32 -3.951 11.142 4.087 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.019 8.531 3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.711 11.069 1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.660 9.891 1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.472 9.253 -0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.998 8.448 1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.623 11.378 0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.588 10.172 0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.192 10.486 3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.682 10.675 2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.014 8.570 2.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.021 8.167 1.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.364 8.252 3.158 1.00 0.00 H new ATOM 529 N LEU A 33 -2.329 8.709 4.291 1.00 0.00 N ATOM 530 CA LEU A 33 -0.989 8.157 4.480 1.00 0.00 C ATOM 531 C LEU A 33 -0.989 6.645 4.242 1.00 0.00 C ATOM 532 O LEU A 33 -0.715 5.863 5.152 1.00 0.00 O ATOM 533 CB LEU A 33 -0.489 8.473 5.894 1.00 0.00 C ATOM 534 CG LEU A 33 0.811 7.770 6.310 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.932 8.780 6.515 1.00 0.00 C ATOM 536 CD2 LEU A 33 0.594 6.950 7.575 1.00 0.00 C ATOM 0 H LEU A 33 -2.765 9.055 5.146 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.317 8.616 3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.341 9.550 5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.270 8.204 6.605 1.00 0.00 H new ATOM 0 HG LEU A 33 1.104 7.095 5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.843 8.258 6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.108 9.322 5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.649 9.484 7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.526 6.459 7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.273 7.607 8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.173 6.197 7.393 1.00 0.00 H new ATOM 548 N GLU A 34 -1.304 6.241 3.013 1.00 0.00 N ATOM 549 CA GLU A 34 -1.349 4.827 2.661 1.00 0.00 C ATOM 550 C GLU A 34 -0.196 4.445 1.739 1.00 0.00 C ATOM 551 O GLU A 34 0.763 5.200 1.579 1.00 0.00 O ATOM 552 CB GLU A 34 -2.686 4.491 1.993 1.00 0.00 C ATOM 553 CG GLU A 34 -3.265 3.155 2.428 1.00 0.00 C ATOM 554 CD GLU A 34 -3.886 2.388 1.278 1.00 0.00 C ATOM 555 OE1 GLU A 34 -3.343 2.457 0.155 1.00 0.00 O ATOM 556 OE2 GLU A 34 -4.916 1.716 1.499 1.00 0.00 O ATOM 0 H GLU A 34 -1.531 6.874 2.246 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.250 4.251 3.581 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.404 5.279 2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.551 4.484 0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.478 2.551 2.879 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.019 3.323 3.197 1.00 0.00 H new ATOM 563 N PHE A 35 -0.291 3.257 1.144 1.00 0.00 N ATOM 564 CA PHE A 35 0.749 2.761 0.247 1.00 0.00 C ATOM 565 C PHE A 35 0.203 2.512 -1.161 1.00 0.00 C ATOM 566 O PHE A 35 -1.008 2.519 -1.381 1.00 0.00 O ATOM 567 CB PHE A 35 1.363 1.471 0.801 1.00 0.00 C ATOM 568 CG PHE A 35 1.165 1.280 2.278 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.082 0.960 2.791 1.00 0.00 C ATOM 570 CD2 PHE A 35 2.229 1.419 3.153 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.262 0.781 4.148 1.00 0.00 C ATOM 572 CE2 PHE A 35 2.055 1.242 4.511 1.00 0.00 C ATOM 573 CZ PHE A 35 0.808 0.922 5.009 1.00 0.00 C ATOM 0 H PHE A 35 -1.078 2.620 1.268 1.00 0.00 H new ATOM 0 HA PHE A 35 1.520 3.528 0.182 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.930 0.620 0.275 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.432 1.469 0.586 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.922 0.849 2.122 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.207 1.669 2.769 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.239 0.531 4.536 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.893 1.354 5.183 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.670 0.782 6.071 1.00 0.00 H new ATOM 583 N PRO A 36 1.107 2.289 -2.135 1.00 0.00 N ATOM 584 CA PRO A 36 0.740 2.035 -3.534 1.00 0.00 C ATOM 585 C PRO A 36 0.131 0.650 -3.754 1.00 0.00 C ATOM 586 O PRO A 36 0.202 -0.218 -2.888 1.00 0.00 O ATOM 587 CB PRO A 36 2.067 2.154 -4.280 1.00 0.00 C ATOM 588 CG PRO A 36 3.101 1.797 -3.272 1.00 0.00 C ATOM 589 CD PRO A 36 2.573 2.269 -1.946 1.00 0.00 C ATOM 0 HA PRO A 36 -0.026 2.731 -3.875 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.101 1.482 -5.137 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.218 3.164 -4.661 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.278 0.722 -3.260 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.053 2.275 -3.505 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.863 1.597 -1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.957 3.257 -1.692 1.00 0.00 H new ATOM 597 N GLY A 37 -0.458 0.462 -4.930 1.00 0.00 N ATOM 598 CA GLY A 37 -1.076 -0.805 -5.285 1.00 0.00 C ATOM 599 C GLY A 37 -2.592 -0.809 -5.162 1.00 0.00 C ATOM 600 O GLY A 37 -3.241 -1.773 -5.544 1.00 0.00 O ATOM 0 H GLY A 37 -0.519 1.177 -5.655 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.804 -1.056 -6.310 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.668 -1.588 -4.646 1.00 0.00 H new ATOM 604 N GLY A 38 -3.156 0.265 -4.654 1.00 0.00 N ATOM 605 CA GLY A 38 -4.598 0.356 -4.515 1.00 0.00 C ATOM 606 C GLY A 38 -5.322 0.319 -5.851 1.00 0.00 C ATOM 607 O GLY A 38 -4.790 0.788 -6.859 1.00 0.00 O ATOM 0 H GLY A 38 -2.643 1.085 -4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.951 -0.466 -3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.851 1.280 -3.995 1.00 0.00 H new ATOM 611 N LYS A 39 -6.548 -0.226 -5.851 1.00 0.00 N ATOM 612 CA LYS A 39 -7.374 -0.313 -7.056 1.00 0.00 C ATOM 613 C LYS A 39 -7.179 -1.622 -7.816 1.00 0.00 C ATOM 614 O LYS A 39 -7.829 -1.847 -8.836 1.00 0.00 O ATOM 615 CB LYS A 39 -7.120 0.860 -7.999 1.00 0.00 C ATOM 616 CG LYS A 39 -8.187 0.983 -9.071 1.00 0.00 C ATOM 617 CD LYS A 39 -8.861 2.357 -9.088 1.00 0.00 C ATOM 618 CE LYS A 39 -9.080 2.937 -7.690 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.427 1.893 -6.685 1.00 0.00 N ATOM 0 H LYS A 39 -6.989 -0.616 -5.018 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.405 -0.277 -6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.080 1.784 -7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.146 0.738 -8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.739 0.792 -10.046 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.944 0.215 -8.912 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.250 3.047 -9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.822 2.277 -9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.177 3.457 -7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.878 3.678 -7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.187 2.244 -6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.748 1.033 -7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.589 1.672 -6.110 1.00 0.00 H new ATOM 633 N ILE A 40 -6.300 -2.490 -7.326 1.00 0.00 N ATOM 634 CA ILE A 40 -6.065 -3.773 -7.991 1.00 0.00 C ATOM 635 C ILE A 40 -7.382 -4.472 -8.284 1.00 0.00 C ATOM 636 O ILE A 40 -7.514 -5.226 -9.248 1.00 0.00 O ATOM 637 CB ILE A 40 -5.167 -4.705 -7.149 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.953 -5.337 -5.989 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.968 -3.932 -6.628 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.755 -6.833 -5.860 1.00 0.00 C ATOM 0 H ILE A 40 -5.745 -2.335 -6.484 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.549 -3.556 -8.926 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.816 -5.516 -7.787 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.654 -4.859 -5.056 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.014 -5.131 -6.127 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.338 -4.594 -6.035 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.394 -3.541 -7.468 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.311 -3.104 -6.007 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.341 -7.206 -5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.082 -7.324 -6.777 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.700 -7.047 -5.690 1.00 0.00 H new ATOM 652 N GLU A 41 -8.346 -4.196 -7.425 1.00 0.00 N ATOM 653 CA GLU A 41 -9.683 -4.753 -7.524 1.00 0.00 C ATOM 654 C GLU A 41 -10.180 -4.729 -8.963 1.00 0.00 C ATOM 655 O GLU A 41 -10.601 -5.756 -9.496 1.00 0.00 O ATOM 656 CB GLU A 41 -10.616 -3.951 -6.626 1.00 0.00 C ATOM 657 CG GLU A 41 -10.455 -2.443 -6.789 1.00 0.00 C ATOM 658 CD GLU A 41 -11.593 -1.812 -7.567 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.757 -2.201 -7.335 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.320 -0.931 -8.409 1.00 0.00 O ATOM 0 H GLU A 41 -8.221 -3.571 -6.629 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.663 -5.794 -7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.647 -4.226 -6.846 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.430 -4.220 -5.586 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.394 -1.980 -5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.514 -2.235 -7.298 1.00 0.00 H new ATOM 667 N MET A 42 -10.113 -3.545 -9.576 1.00 0.00 N ATOM 668 CA MET A 42 -10.538 -3.332 -10.967 1.00 0.00 C ATOM 669 C MET A 42 -11.070 -4.610 -11.621 1.00 0.00 C ATOM 670 O MET A 42 -12.277 -4.770 -11.798 1.00 0.00 O ATOM 671 CB MET A 42 -9.368 -2.780 -11.788 1.00 0.00 C ATOM 672 CG MET A 42 -9.686 -1.473 -12.495 1.00 0.00 C ATOM 673 SD MET A 42 -8.285 -0.339 -12.524 1.00 0.00 S ATOM 674 CE MET A 42 -9.129 1.241 -12.512 1.00 0.00 C ATOM 0 H MET A 42 -9.761 -2.702 -9.122 1.00 0.00 H new ATOM 0 HA MET A 42 -11.357 -2.613 -10.948 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.512 -2.629 -11.130 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.073 -3.522 -12.529 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.998 -1.684 -13.518 1.00 0.00 H new ATOM 0 HG3 MET A 42 -10.528 -0.991 -11.998 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.402 2.040 -12.367 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.643 1.386 -13.462 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.856 1.259 -11.700 1.00 0.00 H new ATOM 684 N GLY A 43 -10.159 -5.514 -11.976 1.00 0.00 N ATOM 685 CA GLY A 43 -10.562 -6.759 -12.603 1.00 0.00 C ATOM 686 C GLY A 43 -9.389 -7.617 -13.019 1.00 0.00 C ATOM 687 O GLY A 43 -9.437 -8.298 -14.043 1.00 0.00 O ATOM 0 H GLY A 43 -9.154 -5.406 -11.841 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.189 -7.321 -11.911 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.172 -6.538 -13.479 1.00 0.00 H new ATOM 691 N GLU A 44 -8.338 -7.581 -12.224 1.00 0.00 N ATOM 692 CA GLU A 44 -7.136 -8.360 -12.507 1.00 0.00 C ATOM 693 C GLU A 44 -7.176 -9.709 -11.791 1.00 0.00 C ATOM 694 O GLU A 44 -8.198 -10.083 -11.216 1.00 0.00 O ATOM 695 CB GLU A 44 -5.890 -7.578 -12.091 1.00 0.00 C ATOM 696 CG GLU A 44 -5.204 -6.868 -13.247 1.00 0.00 C ATOM 697 CD GLU A 44 -5.741 -5.469 -13.473 1.00 0.00 C ATOM 698 OE1 GLU A 44 -6.864 -5.344 -14.008 1.00 0.00 O ATOM 699 OE2 GLU A 44 -5.041 -4.499 -13.116 1.00 0.00 O ATOM 0 H GLU A 44 -8.286 -7.021 -11.373 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.096 -8.546 -13.580 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.168 -6.842 -11.337 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.181 -8.262 -11.623 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.133 -6.815 -13.052 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.333 -7.454 -14.157 1.00 0.00 H new ATOM 706 N THR A 45 -6.060 -10.435 -11.830 1.00 0.00 N ATOM 707 CA THR A 45 -5.976 -11.738 -11.182 1.00 0.00 C ATOM 708 C THR A 45 -5.333 -11.604 -9.807 1.00 0.00 C ATOM 709 O THR A 45 -4.538 -10.698 -9.576 1.00 0.00 O ATOM 710 CB THR A 45 -5.164 -12.708 -12.049 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.879 -12.136 -13.313 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.865 -14.027 -12.294 1.00 0.00 C ATOM 0 H THR A 45 -5.205 -10.142 -12.303 1.00 0.00 H new ATOM 0 HA THR A 45 -6.985 -12.132 -11.061 1.00 0.00 H new ATOM 0 HB THR A 45 -4.251 -12.898 -11.485 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.359 -12.770 -13.849 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.235 -14.664 -12.914 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.055 -14.521 -11.341 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.811 -13.847 -12.804 1.00 0.00 H new ATOM 720 N PRO A 46 -5.661 -12.509 -8.869 1.00 0.00 N ATOM 721 CA PRO A 46 -5.104 -12.485 -7.516 1.00 0.00 C ATOM 722 C PRO A 46 -3.599 -12.220 -7.508 1.00 0.00 C ATOM 723 O PRO A 46 -3.053 -11.727 -6.522 1.00 0.00 O ATOM 724 CB PRO A 46 -5.410 -13.891 -6.968 1.00 0.00 C ATOM 725 CG PRO A 46 -6.014 -14.654 -8.106 1.00 0.00 C ATOM 726 CD PRO A 46 -6.589 -13.629 -9.037 1.00 0.00 C ATOM 0 HA PRO A 46 -5.535 -11.682 -6.918 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.502 -14.377 -6.611 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.098 -13.840 -6.124 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.262 -15.260 -8.611 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.787 -15.335 -7.751 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.617 -13.984 -10.067 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.609 -13.358 -8.765 1.00 0.00 H new ATOM 734 N GLU A 47 -2.933 -12.554 -8.612 1.00 0.00 N ATOM 735 CA GLU A 47 -1.493 -12.354 -8.721 1.00 0.00 C ATOM 736 C GLU A 47 -1.154 -11.144 -9.595 1.00 0.00 C ATOM 737 O GLU A 47 -0.235 -10.388 -9.283 1.00 0.00 O ATOM 738 CB GLU A 47 -0.829 -13.609 -9.292 1.00 0.00 C ATOM 739 CG GLU A 47 -0.178 -14.486 -8.234 1.00 0.00 C ATOM 740 CD GLU A 47 -1.056 -15.650 -7.820 1.00 0.00 C ATOM 741 OE1 GLU A 47 -1.196 -16.600 -8.618 1.00 0.00 O ATOM 742 OE2 GLU A 47 -1.604 -15.611 -6.698 1.00 0.00 O ATOM 0 H GLU A 47 -3.367 -12.963 -9.440 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.110 -12.162 -7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.577 -14.194 -9.828 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.075 -13.312 -10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.769 -14.868 -8.616 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.053 -13.881 -7.358 1.00 0.00 H new ATOM 749 N GLN A 48 -1.885 -10.969 -10.695 1.00 0.00 N ATOM 750 CA GLN A 48 -1.635 -9.854 -11.605 1.00 0.00 C ATOM 751 C GLN A 48 -2.258 -8.557 -11.095 1.00 0.00 C ATOM 752 O GLN A 48 -1.939 -7.475 -11.584 1.00 0.00 O ATOM 753 CB GLN A 48 -2.176 -10.177 -12.998 1.00 0.00 C ATOM 754 CG GLN A 48 -1.270 -11.091 -13.806 1.00 0.00 C ATOM 755 CD GLN A 48 0.133 -10.535 -13.957 1.00 0.00 C ATOM 756 OE1 GLN A 48 1.117 -11.214 -13.661 1.00 0.00 O ATOM 757 NE2 GLN A 48 0.232 -9.293 -14.416 1.00 0.00 N ATOM 0 H GLN A 48 -2.651 -11.582 -10.976 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.556 -9.709 -11.658 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.155 -10.645 -12.899 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.322 -9.247 -13.547 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.220 -12.067 -13.323 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.704 -11.246 -14.794 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.610 -8.767 -14.649 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.150 -8.865 -14.536 1.00 0.00 H new ATOM 766 N ALA A 49 -3.145 -8.667 -10.115 1.00 0.00 N ATOM 767 CA ALA A 49 -3.804 -7.497 -9.553 1.00 0.00 C ATOM 768 C ALA A 49 -2.788 -6.517 -8.983 1.00 0.00 C ATOM 769 O ALA A 49 -2.795 -5.334 -9.321 1.00 0.00 O ATOM 770 CB ALA A 49 -4.801 -7.919 -8.485 1.00 0.00 C ATOM 0 H ALA A 49 -3.424 -9.553 -9.694 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.342 -6.990 -10.354 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.288 -7.035 -8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.552 -8.574 -8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.279 -8.451 -7.690 1.00 0.00 H new ATOM 776 N VAL A 50 -1.909 -7.017 -8.123 1.00 0.00 N ATOM 777 CA VAL A 50 -0.881 -6.176 -7.517 1.00 0.00 C ATOM 778 C VAL A 50 0.268 -5.943 -8.494 1.00 0.00 C ATOM 779 O VAL A 50 0.710 -4.812 -8.691 1.00 0.00 O ATOM 780 CB VAL A 50 -0.331 -6.765 -6.181 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.170 -7.939 -5.698 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.133 -7.177 -6.307 1.00 0.00 C ATOM 0 H VAL A 50 -1.886 -7.994 -7.830 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.358 -5.225 -7.281 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.397 -5.971 -5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.756 -8.323 -4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.195 -7.609 -5.532 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.160 -8.727 -6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.480 -7.582 -5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.232 -7.936 -7.083 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.734 -6.307 -6.572 1.00 0.00 H new ATOM 792 N VAL A 51 0.756 -7.027 -9.089 1.00 0.00 N ATOM 793 CA VAL A 51 1.864 -6.953 -10.033 1.00 0.00 C ATOM 794 C VAL A 51 1.567 -5.975 -11.163 1.00 0.00 C ATOM 795 O VAL A 51 2.462 -5.277 -11.640 1.00 0.00 O ATOM 796 CB VAL A 51 2.192 -8.337 -10.630 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.428 -8.261 -11.516 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.386 -9.364 -9.524 1.00 0.00 C ATOM 0 H VAL A 51 0.400 -7.970 -8.933 1.00 0.00 H new ATOM 0 HA VAL A 51 2.729 -6.597 -9.473 1.00 0.00 H new ATOM 0 HB VAL A 51 1.350 -8.652 -11.246 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.642 -9.248 -11.927 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.249 -7.559 -12.331 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.279 -7.922 -10.925 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.617 -10.334 -9.965 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.208 -9.054 -8.879 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.472 -9.441 -8.935 1.00 0.00 H new ATOM 808 N ARG A 52 0.310 -5.924 -11.586 1.00 0.00 N ATOM 809 CA ARG A 52 -0.084 -5.021 -12.657 1.00 0.00 C ATOM 810 C ARG A 52 -0.226 -3.598 -12.133 1.00 0.00 C ATOM 811 O ARG A 52 0.359 -2.663 -12.680 1.00 0.00 O ATOM 812 CB ARG A 52 -1.396 -5.478 -13.296 1.00 0.00 C ATOM 813 CG ARG A 52 -1.736 -4.742 -14.583 1.00 0.00 C ATOM 814 CD ARG A 52 -2.288 -3.353 -14.302 1.00 0.00 C ATOM 815 NE ARG A 52 -1.320 -2.305 -14.619 1.00 0.00 N ATOM 816 CZ ARG A 52 -0.879 -2.053 -15.849 1.00 0.00 C ATOM 817 NH1 ARG A 52 -1.315 -2.768 -16.879 1.00 0.00 N ATOM 818 NH2 ARG A 52 0.002 -1.082 -16.050 1.00 0.00 N ATOM 0 H ARG A 52 -0.447 -6.492 -11.207 1.00 0.00 H new ATOM 0 HA ARG A 52 0.697 -5.038 -13.417 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.336 -6.546 -13.503 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.207 -5.337 -12.581 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.844 -4.661 -15.204 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.468 -5.318 -15.150 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.195 -3.198 -14.887 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.570 -3.281 -13.252 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.962 -1.734 -13.854 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.992 -3.516 -16.730 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.973 -2.569 -17.819 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.341 -0.530 -15.262 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.341 -0.888 -16.992 1.00 0.00 H new ATOM 832 N GLU A 53 -0.998 -3.443 -11.064 1.00 0.00 N ATOM 833 CA GLU A 53 -1.207 -2.134 -10.460 1.00 0.00 C ATOM 834 C GLU A 53 0.112 -1.554 -9.961 1.00 0.00 C ATOM 835 O GLU A 53 0.243 -0.341 -9.793 1.00 0.00 O ATOM 836 CB GLU A 53 -2.205 -2.236 -9.305 1.00 0.00 C ATOM 837 CG GLU A 53 -3.636 -1.926 -9.711 1.00 0.00 C ATOM 838 CD GLU A 53 -3.824 -0.482 -10.126 1.00 0.00 C ATOM 839 OE1 GLU A 53 -2.808 0.204 -10.357 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.987 -0.037 -10.221 1.00 0.00 O ATOM 0 H GLU A 53 -1.489 -4.207 -10.599 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.613 -1.467 -11.221 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.164 -3.242 -8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.904 -1.550 -8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.925 -2.578 -10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.303 -2.151 -8.878 1.00 0.00 H new ATOM 847 N LEU A 54 1.089 -2.427 -9.723 1.00 0.00 N ATOM 848 CA LEU A 54 2.395 -1.996 -9.244 1.00 0.00 C ATOM 849 C LEU A 54 3.033 -1.012 -10.218 1.00 0.00 C ATOM 850 O LEU A 54 3.573 0.016 -9.812 1.00 0.00 O ATOM 851 CB LEU A 54 3.311 -3.206 -9.048 1.00 0.00 C ATOM 852 CG LEU A 54 3.976 -3.293 -7.676 1.00 0.00 C ATOM 853 CD1 LEU A 54 3.031 -3.917 -6.661 1.00 0.00 C ATOM 854 CD2 LEU A 54 5.270 -4.082 -7.765 1.00 0.00 C ATOM 0 H LEU A 54 0.999 -3.434 -9.855 1.00 0.00 H new ATOM 0 HA LEU A 54 2.258 -1.493 -8.287 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.730 -4.114 -9.212 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.088 -3.182 -9.812 1.00 0.00 H new ATOM 0 HG LEU A 54 4.213 -2.283 -7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.523 -3.970 -5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.131 -3.307 -6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.760 -4.922 -6.986 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.732 -4.135 -6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.058 -5.090 -8.121 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.950 -3.588 -8.459 1.00 0.00 H new ATOM 866 N GLN A 55 2.957 -1.328 -11.506 1.00 0.00 N ATOM 867 CA GLN A 55 3.517 -0.462 -12.534 1.00 0.00 C ATOM 868 C GLN A 55 2.728 0.839 -12.610 1.00 0.00 C ATOM 869 O GLN A 55 3.284 1.903 -12.880 1.00 0.00 O ATOM 870 CB GLN A 55 3.505 -1.169 -13.892 1.00 0.00 C ATOM 871 CG GLN A 55 4.892 -1.479 -14.429 1.00 0.00 C ATOM 872 CD GLN A 55 4.984 -1.318 -15.934 1.00 0.00 C ATOM 873 OE1 GLN A 55 5.760 -0.504 -16.437 1.00 0.00 O ATOM 874 NE2 GLN A 55 4.192 -2.096 -16.663 1.00 0.00 N ATOM 0 H GLN A 55 2.514 -2.175 -11.861 1.00 0.00 H new ATOM 0 HA GLN A 55 4.550 -0.232 -12.272 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.943 -2.099 -13.803 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.977 -0.545 -14.613 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.618 -0.821 -13.952 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.162 -2.500 -14.159 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.564 -2.757 -16.205 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.212 -2.033 -17.681 1.00 0.00 H new ATOM 883 N GLU A 56 1.428 0.739 -12.362 1.00 0.00 N ATOM 884 CA GLU A 56 0.548 1.899 -12.390 1.00 0.00 C ATOM 885 C GLU A 56 0.703 2.731 -11.133 1.00 0.00 C ATOM 886 O GLU A 56 0.438 3.932 -11.140 1.00 0.00 O ATOM 887 CB GLU A 56 -0.907 1.461 -12.511 1.00 0.00 C ATOM 888 CG GLU A 56 -1.881 2.615 -12.689 1.00 0.00 C ATOM 889 CD GLU A 56 -3.162 2.426 -11.900 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.135 2.623 -10.665 1.00 0.00 O ATOM 891 OE2 GLU A 56 -4.193 2.082 -12.515 1.00 0.00 O ATOM 0 H GLU A 56 0.959 -0.138 -12.138 1.00 0.00 H new ATOM 0 HA GLU A 56 0.827 2.500 -13.255 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.003 0.782 -13.358 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.183 0.899 -11.619 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.400 3.542 -12.377 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.123 2.721 -13.747 1.00 0.00 H new ATOM 898 N GLU A 57 1.104 2.087 -10.045 1.00 0.00 N ATOM 899 CA GLU A 57 1.256 2.784 -8.781 1.00 0.00 C ATOM 900 C GLU A 57 2.726 2.965 -8.394 1.00 0.00 C ATOM 901 O GLU A 57 3.033 3.449 -7.304 1.00 0.00 O ATOM 902 CB GLU A 57 0.490 2.064 -7.675 1.00 0.00 C ATOM 903 CG GLU A 57 -0.728 2.842 -7.198 1.00 0.00 C ATOM 904 CD GLU A 57 -2.005 2.030 -7.259 1.00 0.00 C ATOM 905 OE1 GLU A 57 -2.158 1.230 -8.207 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.855 2.196 -6.359 1.00 0.00 O ATOM 0 H GLU A 57 1.327 1.092 -10.014 1.00 0.00 H new ATOM 0 HA GLU A 57 0.833 3.781 -8.909 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.172 1.086 -8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.158 1.890 -6.831 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.563 3.174 -6.173 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.843 3.738 -7.808 1.00 0.00 H new ATOM 913 N VAL A 58 3.629 2.594 -9.297 1.00 0.00 N ATOM 914 CA VAL A 58 5.059 2.739 -9.058 1.00 0.00 C ATOM 915 C VAL A 58 5.719 3.358 -10.279 1.00 0.00 C ATOM 916 O VAL A 58 6.537 4.272 -10.165 1.00 0.00 O ATOM 917 CB VAL A 58 5.730 1.382 -8.752 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.205 1.569 -8.439 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.033 0.682 -7.601 1.00 0.00 C ATOM 0 H VAL A 58 3.393 2.190 -10.203 1.00 0.00 H new ATOM 0 HA VAL A 58 5.186 3.384 -8.189 1.00 0.00 H new ATOM 0 HB VAL A 58 5.641 0.756 -9.640 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.658 0.600 -8.227 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.704 2.023 -9.295 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.313 2.218 -7.570 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.524 -0.271 -7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.085 1.307 -6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.989 0.506 -7.861 1.00 0.00 H new ATOM 929 N GLY A 59 5.334 2.864 -11.452 1.00 0.00 N ATOM 930 CA GLY A 59 5.863 3.378 -12.699 1.00 0.00 C ATOM 931 C GLY A 59 7.325 3.060 -12.924 1.00 0.00 C ATOM 932 O GLY A 59 7.735 2.736 -14.039 1.00 0.00 O ATOM 0 H GLY A 59 4.657 2.108 -11.559 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.281 2.969 -13.525 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.729 4.460 -12.720 1.00 0.00 H new ATOM 936 N ILE A 60 8.105 3.162 -11.872 1.00 0.00 N ATOM 937 CA ILE A 60 9.531 2.894 -11.946 1.00 0.00 C ATOM 938 C ILE A 60 9.806 1.399 -11.971 1.00 0.00 C ATOM 939 O ILE A 60 8.885 0.584 -11.978 1.00 0.00 O ATOM 940 CB ILE A 60 10.316 3.514 -10.765 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.440 3.740 -9.533 1.00 0.00 C ATOM 942 CG2 ILE A 60 10.984 4.812 -11.186 1.00 0.00 C ATOM 943 CD1 ILE A 60 10.188 3.545 -8.231 1.00 0.00 C ATOM 0 H ILE A 60 7.776 3.431 -10.945 1.00 0.00 H new ATOM 0 HA ILE A 60 9.872 3.357 -12.872 1.00 0.00 H new ATOM 0 HB ILE A 60 11.084 2.793 -10.484 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.033 4.751 -9.564 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.593 3.054 -9.565 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.530 5.231 -10.341 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.677 4.616 -12.005 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.225 5.522 -11.515 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.512 3.719 -7.394 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.572 2.526 -8.181 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.019 4.249 -8.180 1.00 0.00 H new ATOM 955 N THR A 61 11.088 1.052 -11.987 1.00 0.00 N ATOM 956 CA THR A 61 11.514 -0.326 -12.013 1.00 0.00 C ATOM 957 C THR A 61 12.218 -0.680 -10.709 1.00 0.00 C ATOM 958 O THR A 61 13.431 -0.509 -10.587 1.00 0.00 O ATOM 959 CB THR A 61 12.470 -0.506 -13.176 1.00 0.00 C ATOM 960 OG1 THR A 61 13.205 0.686 -13.403 1.00 0.00 O ATOM 961 CG2 THR A 61 11.776 -0.866 -14.468 1.00 0.00 C ATOM 0 H THR A 61 11.855 1.725 -11.982 1.00 0.00 H new ATOM 0 HA THR A 61 10.650 -0.981 -12.129 1.00 0.00 H new ATOM 0 HB THR A 61 13.124 -1.330 -12.892 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.819 0.554 -14.155 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.517 -0.980 -15.259 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.233 -1.803 -14.341 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.076 -0.075 -14.738 1.00 0.00 H new ATOM 969 N PRO A 62 11.464 -1.133 -9.696 1.00 0.00 N ATOM 970 CA PRO A 62 11.997 -1.453 -8.393 1.00 0.00 C ATOM 971 C PRO A 62 12.005 -2.938 -8.072 1.00 0.00 C ATOM 972 O PRO A 62 11.068 -3.657 -8.423 1.00 0.00 O ATOM 973 CB PRO A 62 10.944 -0.774 -7.532 1.00 0.00 C ATOM 974 CG PRO A 62 9.658 -1.103 -8.227 1.00 0.00 C ATOM 975 CD PRO A 62 10.005 -1.309 -9.688 1.00 0.00 C ATOM 0 HA PRO A 62 13.036 -1.149 -8.270 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.956 -1.153 -6.510 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.105 0.302 -7.475 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.206 -2.000 -7.804 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.935 -0.296 -8.109 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.714 -2.299 -10.039 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.505 -0.584 -10.330 1.00 0.00 H new ATOM 983 N GLN A 63 13.017 -3.388 -7.332 1.00 0.00 N ATOM 984 CA GLN A 63 13.042 -4.773 -6.907 1.00 0.00 C ATOM 985 C GLN A 63 12.013 -4.875 -5.800 1.00 0.00 C ATOM 986 O GLN A 63 12.329 -4.794 -4.614 1.00 0.00 O ATOM 987 CB GLN A 63 14.430 -5.178 -6.407 1.00 0.00 C ATOM 988 CG GLN A 63 15.469 -5.276 -7.512 1.00 0.00 C ATOM 989 CD GLN A 63 16.862 -5.552 -6.981 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.039 -5.870 -5.804 1.00 0.00 O ATOM 991 NE2 GLN A 63 17.860 -5.434 -7.848 1.00 0.00 N ATOM 0 H GLN A 63 13.809 -2.824 -7.024 1.00 0.00 H new ATOM 0 HA GLN A 63 12.814 -5.447 -7.733 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.766 -4.452 -5.666 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.358 -6.141 -5.901 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.184 -6.069 -8.204 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.479 -4.346 -8.080 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.668 -5.168 -8.814 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.819 -5.609 -7.548 1.00 0.00 H new ATOM 1000 N HIS A 64 10.764 -4.968 -6.225 1.00 0.00 N ATOM 1001 CA HIS A 64 9.631 -4.986 -5.319 1.00 0.00 C ATOM 1002 C HIS A 64 8.805 -6.252 -5.487 1.00 0.00 C ATOM 1003 O HIS A 64 8.454 -6.638 -6.602 1.00 0.00 O ATOM 1004 CB HIS A 64 8.803 -3.730 -5.618 1.00 0.00 C ATOM 1005 CG HIS A 64 7.376 -3.745 -5.139 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.699 -4.607 -4.342 1.00 0.00 N flip ATOM 1007 CD2 HIS A 64 6.466 -2.770 -5.496 1.00 0.00 C flip ATOM 1008 CE1 HIS A 64 5.412 -4.143 -4.237 1.00 0.00 C flip ATOM 1009 NE2 HIS A 64 5.298 -3.033 -4.941 1.00 0.00 N flip ATOM 0 H HIS A 64 10.508 -5.033 -7.210 1.00 0.00 H new ATOM 0 HA HIS A 64 9.968 -4.985 -4.282 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.306 -2.873 -5.169 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.801 -3.570 -6.696 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.677 -1.923 -6.131 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.621 -4.611 -3.670 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.451 -2.473 -5.040 1.00 0.00 H new ATOM 1018 N PHE A 65 8.505 -6.899 -4.366 1.00 0.00 N ATOM 1019 CA PHE A 65 7.732 -8.126 -4.377 1.00 0.00 C ATOM 1020 C PHE A 65 7.477 -8.611 -2.938 1.00 0.00 C ATOM 1021 O PHE A 65 7.101 -7.822 -2.074 1.00 0.00 O ATOM 1022 CB PHE A 65 8.499 -9.167 -5.191 1.00 0.00 C ATOM 1023 CG PHE A 65 7.627 -10.141 -5.933 1.00 0.00 C ATOM 1024 CD1 PHE A 65 6.454 -10.622 -5.371 1.00 0.00 C ATOM 1025 CD2 PHE A 65 7.980 -10.570 -7.203 1.00 0.00 C ATOM 1026 CE1 PHE A 65 5.654 -11.512 -6.061 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.184 -11.461 -7.896 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.019 -11.932 -7.325 1.00 0.00 C ATOM 0 H PHE A 65 8.789 -6.589 -3.437 1.00 0.00 H new ATOM 0 HA PHE A 65 6.758 -7.958 -4.836 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.138 -8.651 -5.908 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.155 -9.723 -4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.163 -10.297 -4.383 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.889 -10.203 -7.656 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.743 -11.879 -5.612 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.473 -11.789 -8.884 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.394 -12.628 -7.866 1.00 0.00 H new ATOM 1038 N SER A 66 7.690 -9.903 -2.690 1.00 0.00 N ATOM 1039 CA SER A 66 7.504 -10.493 -1.370 1.00 0.00 C ATOM 1040 C SER A 66 6.112 -10.222 -0.817 1.00 0.00 C ATOM 1041 O SER A 66 5.343 -9.449 -1.386 1.00 0.00 O ATOM 1042 CB SER A 66 8.563 -9.965 -0.401 1.00 0.00 C ATOM 1043 OG SER A 66 9.142 -11.021 0.346 1.00 0.00 O ATOM 0 H SER A 66 7.996 -10.568 -3.400 1.00 0.00 H new ATOM 0 HA SER A 66 7.614 -11.572 -1.476 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.340 -9.440 -0.957 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.111 -9.241 0.277 1.00 0.00 H new ATOM 0 HG SER A 66 9.817 -10.658 0.957 1.00 0.00 H new ATOM 1049 N LEU A 67 5.799 -10.870 0.300 1.00 0.00 N ATOM 1050 CA LEU A 67 4.505 -10.708 0.944 1.00 0.00 C ATOM 1051 C LEU A 67 4.667 -10.578 2.456 1.00 0.00 C ATOM 1052 O LEU A 67 4.977 -11.551 3.143 1.00 0.00 O ATOM 1053 CB LEU A 67 3.596 -11.893 0.614 1.00 0.00 C ATOM 1054 CG LEU A 67 2.256 -11.907 1.353 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.191 -12.606 0.520 1.00 0.00 C ATOM 1056 CD2 LEU A 67 2.406 -12.578 2.712 1.00 0.00 C ATOM 0 H LEU A 67 6.428 -11.515 0.778 1.00 0.00 H new ATOM 0 HA LEU A 67 4.047 -9.794 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.402 -11.895 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.130 -12.815 0.843 1.00 0.00 H new ATOM 0 HG LEU A 67 1.939 -10.877 1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.246 -12.605 1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.066 -12.080 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.497 -13.634 0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.444 -12.580 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.746 -13.604 2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.135 -12.031 3.310 1.00 0.00 H new ATOM 1068 N PHE A 68 4.451 -9.371 2.969 1.00 0.00 N ATOM 1069 CA PHE A 68 4.569 -9.116 4.399 1.00 0.00 C ATOM 1070 C PHE A 68 3.340 -9.653 5.128 1.00 0.00 C ATOM 1071 O PHE A 68 3.454 -10.300 6.169 1.00 0.00 O ATOM 1072 CB PHE A 68 4.757 -7.608 4.650 1.00 0.00 C ATOM 1073 CG PHE A 68 3.844 -7.008 5.691 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.506 -6.776 5.411 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.330 -6.664 6.943 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.671 -6.217 6.358 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.498 -6.102 7.894 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.167 -5.878 7.600 1.00 0.00 C ATOM 0 H PHE A 68 4.193 -8.554 2.415 1.00 0.00 H new ATOM 0 HA PHE A 68 5.445 -9.634 4.790 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.790 -7.433 4.952 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.606 -7.078 3.709 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.112 -7.036 4.440 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.370 -6.837 7.178 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.630 -6.045 6.127 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.889 -5.838 8.866 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.516 -5.438 8.341 1.00 0.00 H new ATOM 1088 N GLU A 69 2.171 -9.384 4.563 1.00 0.00 N ATOM 1089 CA GLU A 69 0.916 -9.840 5.140 1.00 0.00 C ATOM 1090 C GLU A 69 -0.239 -9.566 4.185 1.00 0.00 C ATOM 1091 O GLU A 69 -0.265 -8.540 3.511 1.00 0.00 O ATOM 1092 CB GLU A 69 0.662 -9.153 6.483 1.00 0.00 C ATOM 1093 CG GLU A 69 0.245 -10.112 7.587 1.00 0.00 C ATOM 1094 CD GLU A 69 -0.062 -9.401 8.891 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -0.905 -8.479 8.881 1.00 0.00 O ATOM 1096 OE2 GLU A 69 0.540 -9.767 9.922 1.00 0.00 O ATOM 0 H GLU A 69 2.067 -8.849 3.701 1.00 0.00 H new ATOM 0 HA GLU A 69 0.986 -10.915 5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.567 -8.629 6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.115 -8.399 6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.635 -10.670 7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.041 -10.839 7.752 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.191 -10.484 4.135 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.351 -10.332 3.266 1.00 0.00 C ATOM 1105 C LYS A 70 -3.599 -10.883 3.951 1.00 0.00 C ATOM 1106 O LYS A 70 -3.783 -12.097 4.037 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.119 -11.056 1.938 1.00 0.00 C ATOM 1108 CG LYS A 70 -1.931 -12.558 2.087 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.174 -13.321 1.661 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.134 -13.673 0.183 1.00 0.00 C ATOM 1111 NZ LYS A 70 -2.566 -15.030 -0.051 1.00 0.00 N ATOM 0 H LYS A 70 -1.185 -11.343 4.685 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.498 -9.271 3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.966 -10.868 1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.238 -10.635 1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.081 -12.881 1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.695 -12.795 3.125 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.262 -14.233 2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.060 -12.721 1.869 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.142 -13.626 -0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.537 -12.933 -0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.556 -15.231 -1.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.595 -15.068 0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.150 -15.739 0.436 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.448 -9.991 4.448 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.667 -10.405 5.134 1.00 0.00 C ATOM 1127 C LEU A 71 -6.909 -10.072 4.315 1.00 0.00 C ATOM 1128 O LEU A 71 -6.915 -9.122 3.531 1.00 0.00 O ATOM 1129 CB LEU A 71 -5.756 -9.740 6.508 1.00 0.00 C ATOM 1130 CG LEU A 71 -5.768 -8.211 6.489 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -7.148 -7.692 6.121 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -5.330 -7.659 7.837 1.00 0.00 C ATOM 0 H LEU A 71 -4.316 -8.981 4.390 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.624 -11.487 5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.661 -10.089 7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.912 -10.074 7.111 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.062 -7.870 5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.137 -6.602 6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.423 -8.060 5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.875 -8.042 6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.344 -6.570 7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.012 -8.009 8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.320 -8.002 8.060 1.00 0.00 H new ATOM 1144 N GLU A 72 -7.961 -10.863 4.506 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.214 -10.664 3.796 1.00 0.00 C ATOM 1146 C GLU A 72 -10.389 -10.691 4.772 1.00 0.00 C ATOM 1147 O GLU A 72 -10.729 -11.739 5.321 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.382 -11.745 2.722 1.00 0.00 C ATOM 1149 CG GLU A 72 -10.817 -11.952 2.271 1.00 0.00 C ATOM 1150 CD GLU A 72 -10.915 -12.655 0.931 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -9.956 -12.557 0.137 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.950 -13.306 0.676 1.00 0.00 O ATOM 0 H GLU A 72 -7.967 -11.652 5.152 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.195 -9.688 3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.775 -11.480 1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.994 -12.688 3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.349 -12.536 3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.316 -10.985 2.207 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.004 -9.532 4.983 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.139 -9.423 5.894 1.00 0.00 C ATOM 1161 C TYR A 73 -13.321 -8.749 5.206 1.00 0.00 C ATOM 1162 O TYR A 73 -13.142 -7.957 4.280 1.00 0.00 O ATOM 1163 CB TYR A 73 -11.742 -8.632 7.141 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.402 -7.185 6.860 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.263 -6.847 6.139 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.221 -6.157 7.312 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -9.950 -5.527 5.878 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -11.913 -4.835 7.054 1.00 0.00 C ATOM 1169 CZ TYR A 73 -10.778 -4.525 6.337 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.468 -3.209 6.079 1.00 0.00 O ATOM 0 H TYR A 73 -10.736 -8.655 4.536 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.437 -10.429 6.190 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.560 -8.671 7.861 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.883 -9.114 7.608 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.612 -7.629 5.777 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.112 -6.395 7.874 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.061 -5.281 5.317 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.559 -4.048 7.413 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.741 -2.654 6.839 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.530 -9.062 5.662 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.733 -8.477 5.083 1.00 0.00 C ATOM 1182 C GLU A 74 -16.541 -7.722 6.131 1.00 0.00 C ATOM 1183 O GLU A 74 -16.850 -8.249 7.200 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.606 -9.549 4.425 1.00 0.00 C ATOM 1185 CG GLU A 74 -16.695 -10.842 5.218 1.00 0.00 C ATOM 1186 CD GLU A 74 -17.057 -12.033 4.352 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -18.178 -12.050 3.802 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -16.217 -12.950 4.223 1.00 0.00 O ATOM 0 H GLU A 74 -14.702 -9.714 6.427 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.412 -7.770 4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.611 -9.150 4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.209 -9.769 3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.739 -11.030 5.707 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.440 -10.730 6.006 1.00 0.00 H new ATOM 1195 N PHE A 75 -16.879 -6.483 5.805 1.00 0.00 N ATOM 1196 CA PHE A 75 -17.653 -5.629 6.686 1.00 0.00 C ATOM 1197 C PHE A 75 -19.141 -5.723 6.348 1.00 0.00 C ATOM 1198 O PHE A 75 -19.507 -6.195 5.272 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.172 -4.183 6.558 1.00 0.00 C ATOM 1200 CG PHE A 75 -16.217 -3.751 7.640 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -16.367 -4.189 8.949 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -15.164 -2.900 7.342 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -15.487 -3.785 9.935 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -14.281 -2.495 8.324 1.00 0.00 C ATOM 1205 CZ PHE A 75 -14.442 -2.938 9.622 1.00 0.00 C ATOM 0 H PHE A 75 -16.623 -6.044 4.921 1.00 0.00 H new ATOM 0 HA PHE A 75 -17.512 -5.962 7.714 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -16.687 -4.058 5.590 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.038 -3.522 6.568 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -17.181 -4.853 9.200 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -15.032 -2.549 6.329 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -15.616 -4.131 10.950 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -13.465 -1.832 8.077 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.752 -2.623 10.391 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.018 -5.276 7.264 1.00 0.00 N ATOM 1216 CA PRO A 76 -21.468 -5.310 7.063 1.00 0.00 C ATOM 1217 C PRO A 76 -21.882 -4.651 5.752 1.00 0.00 C ATOM 1218 O PRO A 76 -22.269 -3.484 5.726 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.031 -4.530 8.259 1.00 0.00 C ATOM 1220 CG PRO A 76 -20.860 -3.841 8.875 1.00 0.00 C ATOM 1221 CD PRO A 76 -19.666 -4.692 8.558 1.00 0.00 C ATOM 0 HA PRO A 76 -21.841 -6.332 7.003 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -22.785 -3.811 7.938 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -22.512 -5.199 8.972 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -20.741 -2.836 8.470 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -20.990 -3.737 9.952 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -18.752 -4.101 8.500 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -19.502 -5.458 9.316 1.00 0.00 H new ATOM 1229 N ASP A 77 -21.792 -5.425 4.672 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.148 -4.968 3.322 1.00 0.00 C ATOM 1231 C ASP A 77 -20.941 -4.383 2.589 1.00 0.00 C ATOM 1232 O ASP A 77 -21.084 -3.800 1.515 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.285 -3.940 3.354 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.426 -4.363 4.260 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -24.532 -5.572 4.557 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.213 -3.486 4.673 1.00 0.00 O ATOM 0 H ASP A 77 -21.469 -6.392 4.705 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.492 -5.847 2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -22.893 -2.981 3.692 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.664 -3.791 2.343 1.00 0.00 H new ATOM 1241 N ARG A 78 -19.751 -4.548 3.163 1.00 0.00 N ATOM 1242 CA ARG A 78 -18.530 -4.041 2.547 1.00 0.00 C ATOM 1243 C ARG A 78 -17.406 -5.068 2.654 1.00 0.00 C ATOM 1244 O ARG A 78 -16.692 -5.113 3.654 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.105 -2.725 3.207 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.664 -1.658 2.215 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.806 -0.260 2.799 1.00 0.00 C ATOM 1248 NE ARG A 78 -16.523 0.297 3.236 1.00 0.00 N ATOM 1249 CZ ARG A 78 -16.035 0.176 4.472 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -16.694 -0.522 5.389 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.878 0.749 4.792 1.00 0.00 N ATOM 0 H ARG A 78 -19.608 -5.028 4.052 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.732 -3.856 1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -18.937 -2.339 3.796 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -17.288 -2.924 3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.626 -1.831 1.931 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.261 -1.736 1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -18.250 0.399 2.053 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -18.492 -0.291 3.645 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.967 0.810 2.552 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -17.579 -0.970 5.151 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.315 -0.611 6.332 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.362 1.282 4.092 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.507 0.655 5.737 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.247 -5.888 1.619 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.206 -6.908 1.611 1.00 0.00 C ATOM 1267 C HIS A 79 -14.917 -6.356 1.017 1.00 0.00 C ATOM 1268 O HIS A 79 -14.763 -6.286 -0.201 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.666 -8.138 0.824 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.661 -9.247 0.806 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -15.921 -10.490 0.268 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -14.387 -9.296 1.264 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -14.851 -11.256 0.396 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -13.907 -10.555 0.997 1.00 0.00 N ATOM 0 H HIS A 79 -17.824 -5.866 0.778 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.013 -7.205 2.642 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.596 -8.508 1.255 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.886 -7.842 -0.202 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -16.801 -10.774 -0.162 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -13.849 -8.495 1.749 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -14.764 -12.280 0.065 1.00 0.00 H new ATOM 1283 N ILE A 80 -13.995 -5.960 1.886 1.00 0.00 N ATOM 1284 CA ILE A 80 -12.724 -5.407 1.451 1.00 0.00 C ATOM 1285 C ILE A 80 -11.589 -6.405 1.655 1.00 0.00 C ATOM 1286 O ILE A 80 -11.465 -7.016 2.717 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.391 -4.097 2.205 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -10.914 -3.735 2.045 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -12.738 -4.232 3.681 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -10.522 -2.458 2.754 1.00 0.00 C ATOM 0 H ILE A 80 -14.107 -6.013 2.898 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.822 -5.189 0.387 1.00 0.00 H new ATOM 0 HB ILE A 80 -12.990 -3.296 1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.305 -4.554 2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.686 -3.636 0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.498 -3.303 4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.802 -4.442 3.787 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.162 -5.048 4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.461 -2.265 2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.105 -1.627 2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.717 -2.560 3.821 1.00 0.00 H new ATOM 1302 N THR A 81 -10.749 -6.540 0.639 1.00 0.00 N ATOM 1303 CA THR A 81 -9.603 -7.434 0.706 1.00 0.00 C ATOM 1304 C THR A 81 -8.323 -6.609 0.732 1.00 0.00 C ATOM 1305 O THR A 81 -8.046 -5.858 -0.201 1.00 0.00 O ATOM 1306 CB THR A 81 -9.596 -8.388 -0.493 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.762 -8.220 -1.280 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.520 -9.846 -0.095 1.00 0.00 C ATOM 0 H THR A 81 -10.841 -6.039 -0.245 1.00 0.00 H new ATOM 0 HA THR A 81 -9.667 -8.032 1.615 1.00 0.00 H new ATOM 0 HB THR A 81 -8.700 -8.132 -1.058 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.901 -9.017 -1.833 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.519 -10.468 -0.990 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.605 -10.022 0.470 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.382 -10.100 0.522 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.552 -6.732 1.805 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.317 -5.967 1.928 1.00 0.00 C ATOM 1318 C LEU A 82 -5.094 -6.871 1.854 1.00 0.00 C ATOM 1319 O LEU A 82 -4.855 -7.688 2.742 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.317 -5.187 3.250 1.00 0.00 C ATOM 1321 CG LEU A 82 -5.798 -3.743 3.176 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -6.350 -3.029 1.953 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -6.163 -2.981 4.444 1.00 0.00 C ATOM 0 H LEU A 82 -7.756 -7.346 2.594 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.267 -5.268 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.335 -5.167 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.711 -5.734 3.972 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.712 -3.777 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.968 -2.009 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.040 -3.558 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.439 -3.007 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.788 -1.960 4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.247 -2.963 4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.716 -3.475 5.307 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.310 -6.701 0.792 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.097 -7.486 0.606 1.00 0.00 C ATOM 1337 C TRP A 83 -1.880 -6.593 0.757 1.00 0.00 C ATOM 1338 O TRP A 83 -1.727 -5.605 0.037 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.075 -8.148 -0.775 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.180 -9.131 -0.982 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.456 -9.023 -0.525 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.110 -10.371 -1.696 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.191 -10.116 -0.911 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.386 -10.960 -1.631 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.094 -11.038 -2.385 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.674 -12.184 -2.230 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.380 -12.254 -2.978 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.661 -12.816 -2.897 1.00 0.00 C ATOM 0 H TRP A 83 -4.495 -6.027 0.049 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.079 -8.268 1.365 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.139 -7.375 -1.541 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.119 -8.654 -0.912 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.836 -8.197 0.057 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.176 -10.274 -0.697 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.104 -10.612 -2.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.661 -12.618 -2.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.603 -12.780 -3.513 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.852 -13.767 -3.371 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.017 -6.942 1.693 1.00 0.00 N ATOM 1360 CA PHE A 84 0.193 -6.163 1.934 1.00 0.00 C ATOM 1361 C PHE A 84 1.442 -6.958 1.552 1.00 0.00 C ATOM 1362 O PHE A 84 1.785 -7.950 2.194 1.00 0.00 O ATOM 1363 CB PHE A 84 0.271 -5.701 3.398 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.458 -4.409 3.676 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -1.515 -4.001 2.874 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.086 -3.599 4.743 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.183 -2.819 3.127 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.754 -2.416 4.999 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.803 -2.026 4.191 1.00 0.00 C ATOM 0 H PHE A 84 -1.126 -7.755 2.299 1.00 0.00 H new ATOM 0 HA PHE A 84 0.148 -5.276 1.301 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.140 -6.483 4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.318 -5.582 3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.819 -4.617 2.040 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.734 -3.897 5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.002 -2.515 2.493 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.455 -1.797 5.832 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.325 -1.102 4.391 1.00 0.00 H new ATOM 1379 N TRP A 85 2.106 -6.512 0.487 1.00 0.00 N ATOM 1380 CA TRP A 85 3.313 -7.165 -0.017 1.00 0.00 C ATOM 1381 C TRP A 85 4.571 -6.485 0.522 1.00 0.00 C ATOM 1382 O TRP A 85 4.563 -5.285 0.797 1.00 0.00 O ATOM 1383 CB TRP A 85 3.297 -7.164 -1.545 1.00 0.00 C ATOM 1384 CG TRP A 85 2.044 -7.770 -2.103 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.769 -7.318 -1.922 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.940 -8.944 -2.916 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.121 -8.135 -2.574 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.573 -9.140 -3.194 1.00 0.00 C ATOM 1389 CE3 TRP A 85 2.866 -9.848 -3.441 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.113 -10.201 -3.968 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.409 -10.901 -4.211 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.043 -11.070 -4.468 1.00 0.00 C ATOM 0 H TRP A 85 1.824 -5.691 -0.049 1.00 0.00 H new ATOM 0 HA TRP A 85 3.328 -8.197 0.333 1.00 0.00 H new ATOM 0 HB2 TRP A 85 3.394 -6.140 -1.906 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.161 -7.716 -1.915 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.499 -6.444 -1.348 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.134 -8.013 -2.594 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.922 -9.726 -3.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.940 -10.333 -4.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.118 -11.605 -4.621 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.717 -11.903 -5.073 1.00 0.00 H new ATOM 1403 N LEU A 86 5.646 -7.258 0.700 1.00 0.00 N ATOM 1404 CA LEU A 86 6.888 -6.711 1.240 1.00 0.00 C ATOM 1405 C LEU A 86 7.895 -6.361 0.142 1.00 0.00 C ATOM 1406 O LEU A 86 8.571 -7.228 -0.411 1.00 0.00 O ATOM 1407 CB LEU A 86 7.501 -7.694 2.244 1.00 0.00 C ATOM 1408 CG LEU A 86 9.002 -7.531 2.501 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.306 -6.138 3.031 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.493 -8.592 3.474 1.00 0.00 C ATOM 0 H LEU A 86 5.680 -8.253 0.480 1.00 0.00 H new ATOM 0 HA LEU A 86 6.643 -5.780 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.975 -7.590 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.320 -8.708 1.888 1.00 0.00 H new ATOM 0 HG LEU A 86 9.529 -7.660 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.377 -6.042 3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.990 -5.394 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.769 -5.979 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.562 -8.462 3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.959 -8.494 4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.311 -9.582 3.055 1.00 0.00 H new ATOM 1422 N VAL A 87 7.996 -5.068 -0.133 1.00 0.00 N ATOM 1423 CA VAL A 87 8.917 -4.530 -1.133 1.00 0.00 C ATOM 1424 C VAL A 87 10.309 -4.404 -0.561 1.00 0.00 C ATOM 1425 O VAL A 87 10.467 -4.144 0.632 1.00 0.00 O ATOM 1426 CB VAL A 87 8.469 -3.152 -1.597 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.246 -2.710 -2.825 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.972 -3.159 -1.858 1.00 0.00 C ATOM 0 H VAL A 87 7.437 -4.354 0.334 1.00 0.00 H new ATOM 0 HA VAL A 87 8.920 -5.221 -1.976 1.00 0.00 H new ATOM 0 HB VAL A 87 8.678 -2.429 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.905 -1.722 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.309 -2.669 -2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.082 -3.421 -3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.656 -2.170 -2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.741 -3.892 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.444 -3.420 -0.941 1.00 0.00 H new ATOM 1438 N GLU A 88 11.326 -4.617 -1.388 1.00 0.00 N ATOM 1439 CA GLU A 88 12.688 -4.541 -0.880 1.00 0.00 C ATOM 1440 C GLU A 88 13.520 -3.395 -1.465 1.00 0.00 C ATOM 1441 O GLU A 88 14.466 -2.941 -0.822 1.00 0.00 O ATOM 1442 CB GLU A 88 13.417 -5.870 -1.105 1.00 0.00 C ATOM 1443 CG GLU A 88 12.505 -7.086 -1.055 1.00 0.00 C ATOM 1444 CD GLU A 88 13.264 -8.390 -1.207 1.00 0.00 C ATOM 1445 OE1 GLU A 88 13.928 -8.572 -2.249 1.00 0.00 O ATOM 1446 OE2 GLU A 88 13.194 -9.229 -0.285 1.00 0.00 O ATOM 0 H GLU A 88 11.239 -4.837 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 88 12.587 -4.333 0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.915 -5.841 -2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.195 -5.980 -0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.965 -7.092 -0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.759 -7.009 -1.846 1.00 0.00 H new ATOM 1453 N ARG A 89 13.207 -2.930 -2.673 1.00 0.00 N ATOM 1454 CA ARG A 89 13.993 -1.853 -3.272 1.00 0.00 C ATOM 1455 C ARG A 89 13.244 -1.173 -4.413 1.00 0.00 C ATOM 1456 O ARG A 89 12.262 -1.707 -4.926 1.00 0.00 O ATOM 1457 CB ARG A 89 15.338 -2.412 -3.761 1.00 0.00 C ATOM 1458 CG ARG A 89 16.016 -1.579 -4.840 1.00 0.00 C ATOM 1459 CD ARG A 89 17.308 -2.224 -5.313 1.00 0.00 C ATOM 1460 NE ARG A 89 18.424 -1.935 -4.415 1.00 0.00 N ATOM 1461 CZ ARG A 89 18.955 -0.725 -4.258 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.474 0.311 -4.934 1.00 0.00 N ATOM 1463 NH2 ARG A 89 19.969 -0.550 -3.420 1.00 0.00 N ATOM 0 H ARG A 89 12.434 -3.272 -3.245 1.00 0.00 H new ATOM 0 HA ARG A 89 14.171 -1.094 -2.510 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.012 -2.497 -2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.180 -3.420 -4.144 1.00 0.00 H new ATOM 0 HG2 ARG A 89 15.339 -1.456 -5.685 1.00 0.00 H new ATOM 0 HG3 ARG A 89 16.226 -0.582 -4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 89 17.170 -3.303 -5.384 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.546 -1.866 -6.315 1.00 0.00 H new ATOM 0 HE ARG A 89 18.819 -2.706 -3.877 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.693 0.182 -5.578 1.00 0.00 H new ATOM 0 HH12 ARG A 89 18.885 1.236 -4.810 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.341 -1.343 -2.897 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.377 0.377 -3.299 1.00 0.00 H new ATOM 1477 N TRP A 90 13.730 0.000 -4.816 1.00 0.00 N ATOM 1478 CA TRP A 90 13.119 0.742 -5.911 1.00 0.00 C ATOM 1479 C TRP A 90 14.118 1.695 -6.565 1.00 0.00 C ATOM 1480 O TRP A 90 14.748 2.509 -5.891 1.00 0.00 O ATOM 1481 CB TRP A 90 11.868 1.490 -5.422 1.00 0.00 C ATOM 1482 CG TRP A 90 12.126 2.853 -4.852 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.506 3.972 -5.537 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.995 3.246 -3.482 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.624 5.034 -4.676 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.315 4.615 -3.410 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.640 2.574 -2.309 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.286 5.323 -2.213 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.612 3.279 -1.121 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.932 4.641 -1.081 1.00 0.00 C ATOM 0 H TRP A 90 14.543 0.454 -4.400 1.00 0.00 H new ATOM 0 HA TRP A 90 12.810 0.027 -6.674 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.172 1.587 -6.256 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.374 0.883 -4.663 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.687 4.015 -6.601 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.897 5.981 -4.937 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.392 1.523 -2.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.534 6.374 -2.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.339 2.771 -0.208 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.899 5.164 -0.137 1.00 0.00 H new ATOM 1501 N GLU A 91 14.263 1.578 -7.887 1.00 0.00 N ATOM 1502 CA GLU A 91 15.190 2.425 -8.629 1.00 0.00 C ATOM 1503 C GLU A 91 14.615 3.825 -8.821 1.00 0.00 C ATOM 1504 O GLU A 91 13.402 3.998 -8.936 1.00 0.00 O ATOM 1505 CB GLU A 91 15.507 1.800 -9.989 1.00 0.00 C ATOM 1506 CG GLU A 91 16.296 0.505 -9.895 1.00 0.00 C ATOM 1507 CD GLU A 91 16.898 0.091 -11.223 1.00 0.00 C ATOM 1508 OE1 GLU A 91 17.302 0.985 -11.997 1.00 0.00 O ATOM 1509 OE2 GLU A 91 16.967 -1.128 -11.490 1.00 0.00 O ATOM 0 H GLU A 91 13.751 0.907 -8.460 1.00 0.00 H new ATOM 0 HA GLU A 91 16.110 2.507 -8.051 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.573 1.609 -10.518 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.071 2.517 -10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.092 0.622 -9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 91 15.642 -0.289 -9.533 1.00 0.00 H new ATOM 1516 N GLY A 92 15.495 4.822 -8.854 1.00 0.00 N ATOM 1517 CA GLY A 92 15.057 6.194 -9.032 1.00 0.00 C ATOM 1518 C GLY A 92 14.067 6.629 -7.969 1.00 0.00 C ATOM 1519 O GLY A 92 14.382 6.625 -6.780 1.00 0.00 O ATOM 0 H GLY A 92 16.504 4.703 -8.761 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.924 6.855 -9.009 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.600 6.302 -10.016 1.00 0.00 H new ATOM 1523 N GLU A 93 12.868 7.005 -8.399 1.00 0.00 N ATOM 1524 CA GLU A 93 11.829 7.443 -7.476 1.00 0.00 C ATOM 1525 C GLU A 93 10.487 6.802 -7.824 1.00 0.00 C ATOM 1526 O GLU A 93 10.177 6.598 -8.999 1.00 0.00 O ATOM 1527 CB GLU A 93 11.700 8.968 -7.503 1.00 0.00 C ATOM 1528 CG GLU A 93 10.654 9.508 -6.542 1.00 0.00 C ATOM 1529 CD GLU A 93 10.386 10.986 -6.745 1.00 0.00 C ATOM 1530 OE1 GLU A 93 9.991 11.370 -7.865 1.00 0.00 O ATOM 1531 OE2 GLU A 93 10.571 11.761 -5.782 1.00 0.00 O ATOM 0 H GLU A 93 12.592 7.015 -9.381 1.00 0.00 H new ATOM 0 HA GLU A 93 12.114 7.128 -6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.666 9.410 -7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.449 9.285 -8.515 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.725 8.953 -6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.986 9.340 -5.517 1.00 0.00 H new ATOM 1538 N PRO A 94 9.663 6.482 -6.809 1.00 0.00 N ATOM 1539 CA PRO A 94 8.349 5.874 -7.012 1.00 0.00 C ATOM 1540 C PRO A 94 7.334 6.900 -7.485 1.00 0.00 C ATOM 1541 O PRO A 94 7.190 7.960 -6.877 1.00 0.00 O ATOM 1542 CB PRO A 94 7.965 5.341 -5.619 1.00 0.00 C ATOM 1543 CG PRO A 94 9.154 5.586 -4.744 1.00 0.00 C ATOM 1544 CD PRO A 94 9.925 6.700 -5.386 1.00 0.00 C ATOM 0 HA PRO A 94 8.369 5.096 -7.776 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.084 5.854 -5.234 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.723 4.279 -5.660 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.845 5.858 -3.735 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.766 4.688 -4.659 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.578 7.679 -5.054 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.989 6.644 -5.155 1.00 0.00 H new ATOM 1552 N TRP A 95 6.630 6.595 -8.569 1.00 0.00 N ATOM 1553 CA TRP A 95 5.642 7.526 -9.087 1.00 0.00 C ATOM 1554 C TRP A 95 4.338 6.838 -9.456 1.00 0.00 C ATOM 1555 O TRP A 95 3.287 7.132 -8.884 1.00 0.00 O ATOM 1556 CB TRP A 95 6.183 8.287 -10.302 1.00 0.00 C ATOM 1557 CG TRP A 95 6.833 7.432 -11.361 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.142 7.062 -11.417 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.211 6.865 -12.526 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.384 6.321 -12.552 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.214 6.188 -13.250 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.906 6.866 -13.031 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.954 5.531 -14.451 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.649 6.209 -14.220 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.670 5.553 -14.920 1.00 0.00 C ATOM 0 H TRP A 95 6.723 5.727 -9.096 1.00 0.00 H new ATOM 0 HA TRP A 95 5.435 8.232 -8.283 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.362 8.840 -10.758 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.909 9.022 -9.956 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.886 7.314 -10.676 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.287 5.935 -12.827 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.113 7.372 -12.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.739 5.023 -14.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.644 6.201 -14.616 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.438 5.054 -15.849 1.00 0.00 H new ATOM 1576 N GLY A 96 4.407 5.935 -10.423 1.00 0.00 N ATOM 1577 CA GLY A 96 3.217 5.229 -10.871 1.00 0.00 C ATOM 1578 C GLY A 96 2.007 6.138 -11.020 1.00 0.00 C ATOM 1579 O GLY A 96 1.872 6.845 -12.019 1.00 0.00 O ATOM 0 H GLY A 96 5.266 5.676 -10.908 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.424 4.750 -11.828 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.983 4.436 -10.161 1.00 0.00 H new ATOM 1583 N LYS A 97 1.127 6.115 -10.019 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.084 6.938 -10.030 1.00 0.00 C ATOM 1585 C LYS A 97 -1.004 6.580 -8.861 1.00 0.00 C ATOM 1586 O LYS A 97 -2.227 6.560 -9.005 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.836 6.767 -11.356 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.111 8.081 -12.069 1.00 0.00 C ATOM 1589 CD LYS A 97 -2.105 8.936 -11.300 1.00 0.00 C ATOM 1590 CE LYS A 97 -2.775 9.958 -12.204 1.00 0.00 C ATOM 1591 NZ LYS A 97 -4.001 9.410 -12.849 1.00 0.00 N ATOM 0 H LYS A 97 1.230 5.534 -9.187 1.00 0.00 H new ATOM 0 HA LYS A 97 0.219 7.979 -9.923 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.255 6.120 -12.014 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.782 6.261 -11.166 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.178 8.630 -12.194 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.499 7.880 -13.068 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.863 8.297 -10.847 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.593 9.449 -10.486 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.035 10.842 -11.622 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.072 10.278 -12.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.428 10.138 -13.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.749 8.581 -13.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.682 9.128 -12.116 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.411 6.304 -7.702 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.177 5.954 -6.507 1.00 0.00 C ATOM 1607 C GLU A 98 -2.151 7.071 -6.140 1.00 0.00 C ATOM 1608 O GLU A 98 -3.330 6.821 -5.893 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.230 5.683 -5.338 1.00 0.00 C ATOM 1610 CG GLU A 98 0.727 6.830 -5.054 1.00 0.00 C ATOM 1611 CD GLU A 98 1.833 6.445 -4.092 1.00 0.00 C ATOM 1612 OE1 GLU A 98 1.779 5.327 -3.538 1.00 0.00 O ATOM 1613 OE2 GLU A 98 2.756 7.263 -3.892 1.00 0.00 O ATOM 0 H GLU A 98 0.600 6.316 -7.564 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.751 5.052 -6.720 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.819 5.481 -4.443 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.347 4.783 -5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.168 7.170 -5.991 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.168 7.670 -4.641 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.650 8.303 -6.106 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.496 9.433 -5.769 1.00 0.00 C ATOM 1622 C GLY A 99 -1.705 10.696 -5.482 1.00 0.00 C ATOM 1623 O GLY A 99 -1.869 11.706 -6.165 1.00 0.00 O ATOM 0 H GLY A 99 -0.677 8.538 -6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.187 9.621 -6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.099 9.182 -4.897 1.00 0.00 H new ATOM 1627 N GLN A 100 -0.850 10.642 -4.465 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.039 11.796 -4.086 1.00 0.00 C ATOM 1629 C GLN A 100 1.382 11.383 -3.731 1.00 0.00 C ATOM 1630 O GLN A 100 1.600 10.515 -2.885 1.00 0.00 O ATOM 1631 CB GLN A 100 -0.679 12.535 -2.907 1.00 0.00 C ATOM 1632 CG GLN A 100 -1.229 11.612 -1.830 1.00 0.00 C ATOM 1633 CD GLN A 100 -2.696 11.861 -1.539 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -3.073 12.929 -1.058 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -3.532 10.871 -1.831 1.00 0.00 N ATOM 0 H GLN A 100 -0.700 9.814 -3.889 1.00 0.00 H new ATOM 0 HA GLN A 100 0.007 12.465 -4.945 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.062 13.198 -2.460 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.487 13.165 -3.280 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.095 10.576 -2.142 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.653 11.746 -0.914 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.175 10.002 -2.229 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.531 10.979 -1.657 1.00 0.00 H new ATOM 1644 N PRO A 101 2.372 12.016 -4.380 1.00 0.00 N ATOM 1645 CA PRO A 101 3.789 11.737 -4.146 1.00 0.00 C ATOM 1646 C PRO A 101 4.126 11.596 -2.664 1.00 0.00 C ATOM 1647 O PRO A 101 3.528 12.258 -1.815 1.00 0.00 O ATOM 1648 CB PRO A 101 4.454 12.977 -4.728 1.00 0.00 C ATOM 1649 CG PRO A 101 3.586 13.346 -5.872 1.00 0.00 C ATOM 1650 CD PRO A 101 2.186 13.068 -5.406 1.00 0.00 C ATOM 0 HA PRO A 101 4.110 10.794 -4.589 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.511 13.781 -3.994 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.474 12.768 -5.052 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.711 14.395 -6.140 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.831 12.760 -6.758 1.00 0.00 H new ATOM 0 HD2 PRO A 101 1.716 13.959 -4.989 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.550 12.726 -6.223 1.00 0.00 H new ATOM 1658 N GLY A 102 5.083 10.723 -2.362 1.00 0.00 N ATOM 1659 CA GLY A 102 5.480 10.504 -0.982 1.00 0.00 C ATOM 1660 C GLY A 102 6.976 10.654 -0.771 1.00 0.00 C ATOM 1661 O GLY A 102 7.725 10.878 -1.723 1.00 0.00 O ATOM 0 H GLY A 102 5.590 10.164 -3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.954 11.211 -0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.172 9.505 -0.674 1.00 0.00 H new ATOM 1665 N GLU A 103 7.409 10.527 0.480 1.00 0.00 N ATOM 1666 CA GLU A 103 8.824 10.643 0.822 1.00 0.00 C ATOM 1667 C GLU A 103 9.317 9.362 1.488 1.00 0.00 C ATOM 1668 O GLU A 103 8.523 8.599 2.039 1.00 0.00 O ATOM 1669 CB GLU A 103 9.052 11.838 1.750 1.00 0.00 C ATOM 1670 CG GLU A 103 9.021 13.178 1.035 1.00 0.00 C ATOM 1671 CD GLU A 103 10.324 13.490 0.327 1.00 0.00 C ATOM 1672 OE1 GLU A 103 11.338 13.712 1.021 1.00 0.00 O ATOM 1673 OE2 GLU A 103 10.330 13.513 -0.922 1.00 0.00 O ATOM 0 H GLU A 103 6.799 10.343 1.276 1.00 0.00 H new ATOM 0 HA GLU A 103 9.389 10.800 -0.097 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.289 11.833 2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.015 11.723 2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.208 13.180 0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.806 13.966 1.757 1.00 0.00 H new ATOM 1680 N TRP A 104 10.625 9.123 1.436 1.00 0.00 N ATOM 1681 CA TRP A 104 11.190 7.919 2.043 1.00 0.00 C ATOM 1682 C TRP A 104 11.260 8.076 3.560 1.00 0.00 C ATOM 1683 O TRP A 104 12.112 8.794 4.083 1.00 0.00 O ATOM 1684 CB TRP A 104 12.592 7.622 1.480 1.00 0.00 C ATOM 1685 CG TRP A 104 12.889 8.311 0.180 1.00 0.00 C ATOM 1686 CD1 TRP A 104 12.064 8.407 -0.903 1.00 0.00 C ATOM 1687 CD2 TRP A 104 14.093 9.003 -0.169 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.682 9.113 -1.906 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.929 9.490 -1.480 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.294 9.258 0.499 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.920 10.217 -2.133 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.277 9.979 -0.152 1.00 0.00 C ATOM 1693 CH2 TRP A 104 16.085 10.452 -1.456 1.00 0.00 C ATOM 0 H TRP A 104 11.305 9.736 0.987 1.00 0.00 H new ATOM 0 HA TRP A 104 10.538 7.080 1.800 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.338 7.921 2.216 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.695 6.546 1.340 1.00 0.00 H new ATOM 0 HD1 TRP A 104 11.070 7.989 -0.963 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.279 9.323 -2.819 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.451 8.898 1.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.774 10.583 -3.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.210 10.181 0.354 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.872 11.013 -1.937 1.00 0.00 H new ATOM 1704 N MET A 105 10.359 7.391 4.258 1.00 0.00 N ATOM 1705 CA MET A 105 10.312 7.441 5.716 1.00 0.00 C ATOM 1706 C MET A 105 10.491 6.051 6.317 1.00 0.00 C ATOM 1707 O MET A 105 10.331 5.043 5.628 1.00 0.00 O ATOM 1708 CB MET A 105 8.992 8.052 6.188 1.00 0.00 C ATOM 1709 CG MET A 105 7.768 7.238 5.802 1.00 0.00 C ATOM 1710 SD MET A 105 6.229 8.001 6.352 1.00 0.00 S ATOM 1711 CE MET A 105 6.006 7.204 7.940 1.00 0.00 C ATOM 0 H MET A 105 9.649 6.793 3.836 1.00 0.00 H new ATOM 0 HA MET A 105 11.134 8.070 6.057 1.00 0.00 H new ATOM 0 HB2 MET A 105 9.019 8.159 7.272 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.897 9.055 5.771 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.743 7.117 4.719 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.849 6.240 6.232 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.983 6.838 8.023 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.699 6.367 8.028 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.201 7.921 8.738 1.00 0.00 H new ATOM 1721 N SER A 106 10.808 6.000 7.606 1.00 0.00 N ATOM 1722 CA SER A 106 10.989 4.726 8.294 1.00 0.00 C ATOM 1723 C SER A 106 9.635 4.076 8.571 1.00 0.00 C ATOM 1724 O SER A 106 8.825 4.608 9.332 1.00 0.00 O ATOM 1725 CB SER A 106 11.753 4.934 9.604 1.00 0.00 C ATOM 1726 OG SER A 106 13.033 4.327 9.549 1.00 0.00 O ATOM 0 H SER A 106 10.945 6.822 8.194 1.00 0.00 H new ATOM 0 HA SER A 106 11.570 4.064 7.652 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.861 6.001 9.800 1.00 0.00 H new ATOM 0 HB3 SER A 106 11.183 4.513 10.432 1.00 0.00 H new ATOM 0 HG SER A 106 13.502 4.475 10.397 1.00 0.00 H new ATOM 1732 N LEU A 107 9.391 2.930 7.944 1.00 0.00 N ATOM 1733 CA LEU A 107 8.130 2.214 8.121 1.00 0.00 C ATOM 1734 C LEU A 107 8.000 1.647 9.532 1.00 0.00 C ATOM 1735 O LEU A 107 6.902 1.321 9.979 1.00 0.00 O ATOM 1736 CB LEU A 107 8.005 1.089 7.092 1.00 0.00 C ATOM 1737 CG LEU A 107 6.573 0.752 6.667 1.00 0.00 C ATOM 1738 CD1 LEU A 107 5.831 0.051 7.794 1.00 0.00 C ATOM 1739 CD2 LEU A 107 5.829 2.011 6.240 1.00 0.00 C ATOM 0 H LEU A 107 10.048 2.477 7.309 1.00 0.00 H new ATOM 0 HA LEU A 107 7.322 2.930 7.969 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.575 1.364 6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.467 0.190 7.501 1.00 0.00 H new ATOM 0 HG LEU A 107 6.621 0.075 5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.815 -0.180 7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.349 -0.873 8.052 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.796 0.703 8.667 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.814 1.750 5.942 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.793 2.713 7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.347 2.472 5.399 1.00 0.00 H new ATOM 1751 N VAL A 108 9.126 1.530 10.230 1.00 0.00 N ATOM 1752 CA VAL A 108 9.132 1.000 11.590 1.00 0.00 C ATOM 1753 C VAL A 108 8.175 1.771 12.503 1.00 0.00 C ATOM 1754 O VAL A 108 7.828 1.302 13.586 1.00 0.00 O ATOM 1755 CB VAL A 108 10.548 1.038 12.199 1.00 0.00 C ATOM 1756 CG1 VAL A 108 11.053 2.470 12.299 1.00 0.00 C ATOM 1757 CG2 VAL A 108 10.564 0.362 13.562 1.00 0.00 C ATOM 0 H VAL A 108 10.045 1.795 9.877 1.00 0.00 H new ATOM 0 HA VAL A 108 8.796 -0.035 11.521 1.00 0.00 H new ATOM 0 HB VAL A 108 11.219 0.488 11.539 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.054 2.474 12.731 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.086 2.915 11.304 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.382 3.049 12.933 1.00 0.00 H new ATOM 0 HG21 VAL A 108 11.572 0.399 13.975 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.878 0.879 14.233 1.00 0.00 H new ATOM 0 HG23 VAL A 108 10.254 -0.677 13.456 1.00 0.00 H new ATOM 1767 N GLY A 109 7.751 2.956 12.063 1.00 0.00 N ATOM 1768 CA GLY A 109 6.844 3.758 12.859 1.00 0.00 C ATOM 1769 C GLY A 109 5.665 4.269 12.054 1.00 0.00 C ATOM 1770 O GLY A 109 5.337 5.454 12.102 1.00 0.00 O ATOM 0 H GLY A 109 8.021 3.371 11.171 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.478 3.164 13.697 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.386 4.604 13.281 1.00 0.00 H new ATOM 1774 N LEU A 110 5.025 3.369 11.316 1.00 0.00 N ATOM 1775 CA LEU A 110 3.870 3.730 10.498 1.00 0.00 C ATOM 1776 C LEU A 110 2.733 4.240 11.377 1.00 0.00 C ATOM 1777 O LEU A 110 2.616 3.853 12.540 1.00 0.00 O ATOM 1778 CB LEU A 110 3.401 2.528 9.678 1.00 0.00 C ATOM 1779 CG LEU A 110 2.123 2.759 8.871 1.00 0.00 C ATOM 1780 CD1 LEU A 110 2.196 2.036 7.536 1.00 0.00 C ATOM 1781 CD2 LEU A 110 0.906 2.304 9.663 1.00 0.00 C ATOM 0 H LEU A 110 5.285 2.384 11.266 1.00 0.00 H new ATOM 0 HA LEU A 110 4.168 4.526 9.815 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.199 2.240 8.993 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.241 1.687 10.352 1.00 0.00 H new ATOM 0 HG LEU A 110 2.026 3.827 8.675 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.278 2.212 6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.046 2.410 6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.317 0.966 7.708 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.004 2.475 9.075 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.996 1.241 9.889 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.845 2.869 10.593 1.00 0.00 H new ATOM 1793 N ASN A 111 1.910 5.131 10.828 1.00 0.00 N ATOM 1794 CA ASN A 111 0.806 5.706 11.586 1.00 0.00 C ATOM 1795 C ASN A 111 -0.558 5.246 11.090 1.00 0.00 C ATOM 1796 O ASN A 111 -0.974 5.575 9.979 1.00 0.00 O ATOM 1797 CB ASN A 111 0.887 7.234 11.549 1.00 0.00 C ATOM 1798 CG ASN A 111 1.175 7.832 12.913 1.00 0.00 C ATOM 1799 OD1 ASN A 111 2.228 8.429 13.131 1.00 0.00 O ATOM 1800 ND2 ASN A 111 0.235 7.674 13.838 1.00 0.00 N ATOM 0 H ASN A 111 1.987 5.467 9.868 1.00 0.00 H new ATOM 0 HA ASN A 111 0.907 5.350 12.611 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.667 7.537 10.851 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.053 7.636 11.170 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.371 8.055 14.774 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.623 7.171 13.612 1.00 0.00 H new ATOM 1807 N ALA A 112 -1.264 4.510 11.946 1.00 0.00 N ATOM 1808 CA ALA A 112 -2.601 4.035 11.623 1.00 0.00 C ATOM 1809 C ALA A 112 -3.594 5.197 11.656 1.00 0.00 C ATOM 1810 O ALA A 112 -4.690 5.114 11.101 1.00 0.00 O ATOM 1811 CB ALA A 112 -3.033 2.939 12.590 1.00 0.00 C ATOM 0 H ALA A 112 -0.929 4.231 12.868 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.585 3.614 10.618 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.035 2.599 12.330 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -2.338 2.102 12.526 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.036 3.331 13.607 1.00 0.00 H new ATOM 1817 N ASP A 113 -3.198 6.285 12.319 1.00 0.00 N ATOM 1818 CA ASP A 113 -4.037 7.471 12.427 1.00 0.00 C ATOM 1819 C ASP A 113 -3.978 8.300 11.146 1.00 0.00 C ATOM 1820 O ASP A 113 -5.006 8.750 10.638 1.00 0.00 O ATOM 1821 CB ASP A 113 -3.599 8.324 13.619 1.00 0.00 C ATOM 1822 CG ASP A 113 -4.773 8.955 14.341 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -5.360 8.287 15.218 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -5.106 10.118 14.030 1.00 0.00 O ATOM 0 H ASP A 113 -2.297 6.365 12.790 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.066 7.144 12.580 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -3.036 7.705 14.318 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.925 9.108 13.273 1.00 0.00 H new ATOM 1829 N ASP A 114 -2.767 8.503 10.632 1.00 0.00 N ATOM 1830 CA ASP A 114 -2.572 9.283 9.414 1.00 0.00 C ATOM 1831 C ASP A 114 -3.174 8.572 8.208 1.00 0.00 C ATOM 1832 O ASP A 114 -3.806 9.195 7.359 1.00 0.00 O ATOM 1833 CB ASP A 114 -1.085 9.544 9.183 1.00 0.00 C ATOM 1834 CG ASP A 114 -0.721 11.007 9.342 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -1.105 11.607 10.368 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -0.052 11.554 8.440 1.00 0.00 O ATOM 0 H ASP A 114 -1.907 8.138 11.041 1.00 0.00 H new ATOM 0 HA ASP A 114 -3.084 10.237 9.538 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.502 8.949 9.886 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.812 9.212 8.181 1.00 0.00 H new ATOM 1841 N PHE A 115 -2.982 7.260 8.142 1.00 0.00 N ATOM 1842 CA PHE A 115 -3.519 6.468 7.044 1.00 0.00 C ATOM 1843 C PHE A 115 -5.010 6.205 7.283 1.00 0.00 C ATOM 1844 O PHE A 115 -5.535 6.556 8.339 1.00 0.00 O ATOM 1845 CB PHE A 115 -2.708 5.167 6.899 1.00 0.00 C ATOM 1846 CG PHE A 115 -3.363 3.936 7.452 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.937 3.953 8.704 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.387 2.760 6.720 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -4.527 2.822 9.227 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.978 1.625 7.233 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.547 1.658 8.489 1.00 0.00 C ATOM 0 H PHE A 115 -2.460 6.724 8.835 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.430 7.013 6.104 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.501 5.004 5.841 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -1.747 5.301 7.395 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.925 4.864 9.284 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.938 2.732 5.738 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.972 2.848 10.211 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.995 0.714 6.654 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.009 0.770 8.895 1.00 0.00 H new ATOM 1861 N PRO A 116 -5.724 5.602 6.317 1.00 0.00 N ATOM 1862 CA PRO A 116 -7.156 5.330 6.469 1.00 0.00 C ATOM 1863 C PRO A 116 -7.457 4.533 7.740 1.00 0.00 C ATOM 1864 O PRO A 116 -6.854 3.488 7.983 1.00 0.00 O ATOM 1865 CB PRO A 116 -7.516 4.512 5.219 1.00 0.00 C ATOM 1866 CG PRO A 116 -6.211 4.094 4.625 1.00 0.00 C ATOM 1867 CD PRO A 116 -5.218 5.149 5.014 1.00 0.00 C ATOM 0 HA PRO A 116 -7.735 6.249 6.561 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.124 3.646 5.479 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -8.095 5.108 4.514 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.908 3.117 5.000 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.286 4.010 3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -4.208 4.747 5.089 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -5.184 5.961 4.288 1.00 0.00 H new ATOM 1875 N PRO A 117 -8.394 5.023 8.577 1.00 0.00 N ATOM 1876 CA PRO A 117 -8.763 4.355 9.832 1.00 0.00 C ATOM 1877 C PRO A 117 -9.501 3.040 9.603 1.00 0.00 C ATOM 1878 O PRO A 117 -9.302 2.073 10.336 1.00 0.00 O ATOM 1879 CB PRO A 117 -9.681 5.368 10.521 1.00 0.00 C ATOM 1880 CG PRO A 117 -10.241 6.188 9.412 1.00 0.00 C ATOM 1881 CD PRO A 117 -9.160 6.267 8.371 1.00 0.00 C ATOM 0 HA PRO A 117 -7.884 4.086 10.418 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.471 4.869 11.082 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -9.128 5.985 11.229 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.143 5.730 9.005 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -10.519 7.182 9.763 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.575 6.321 7.364 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.536 7.150 8.506 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.351 3.012 8.585 1.00 0.00 N ATOM 1890 CA ALA A 118 -11.117 1.813 8.265 1.00 0.00 C ATOM 1891 C ALA A 118 -10.226 0.716 7.693 1.00 0.00 C ATOM 1892 O ALA A 118 -10.656 -0.426 7.528 1.00 0.00 O ATOM 1893 CB ALA A 118 -12.244 2.148 7.302 1.00 0.00 C ATOM 0 H ALA A 118 -10.528 3.804 7.967 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.549 1.434 9.191 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.807 1.243 7.072 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.907 2.882 7.759 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -11.827 2.559 6.383 1.00 0.00 H new ATOM 1899 N ASN A 119 -8.987 1.070 7.390 1.00 0.00 N ATOM 1900 CA ASN A 119 -8.029 0.131 6.833 1.00 0.00 C ATOM 1901 C ASN A 119 -6.988 -0.264 7.887 1.00 0.00 C ATOM 1902 O ASN A 119 -5.850 -0.597 7.558 1.00 0.00 O ATOM 1903 CB ASN A 119 -7.359 0.787 5.627 1.00 0.00 C ATOM 1904 CG ASN A 119 -8.041 0.424 4.316 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -8.653 -0.636 4.193 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.950 1.313 3.328 1.00 0.00 N ATOM 0 H ASN A 119 -8.619 2.012 7.523 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.539 -0.780 6.520 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.371 1.870 5.752 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.313 0.483 5.586 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.397 1.126 2.431 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.433 2.181 3.469 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.397 -0.202 9.158 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.524 -0.524 10.290 1.00 0.00 C ATOM 1915 C GLU A 120 -6.296 -2.028 10.493 1.00 0.00 C ATOM 1916 O GLU A 120 -5.243 -2.422 10.989 1.00 0.00 O ATOM 1917 CB GLU A 120 -7.083 0.091 11.576 1.00 0.00 C ATOM 1918 CG GLU A 120 -6.143 1.091 12.228 1.00 0.00 C ATOM 1919 CD GLU A 120 -5.440 0.522 13.445 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -6.020 0.585 14.549 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -4.308 0.015 13.295 1.00 0.00 O ATOM 0 H GLU A 120 -8.341 0.072 9.430 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.551 -0.094 10.051 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -8.028 0.586 11.352 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -7.301 -0.707 12.286 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -5.398 1.412 11.500 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -6.707 1.977 12.520 1.00 0.00 H new ATOM 1928 N PRO A 121 -7.268 -2.897 10.154 1.00 0.00 N ATOM 1929 CA PRO A 121 -7.123 -4.344 10.358 1.00 0.00 C ATOM 1930 C PRO A 121 -5.751 -4.880 9.946 1.00 0.00 C ATOM 1931 O PRO A 121 -5.218 -5.788 10.585 1.00 0.00 O ATOM 1932 CB PRO A 121 -8.220 -4.920 9.467 1.00 0.00 C ATOM 1933 CG PRO A 121 -9.291 -3.885 9.490 1.00 0.00 C ATOM 1934 CD PRO A 121 -8.586 -2.554 9.583 1.00 0.00 C ATOM 0 HA PRO A 121 -7.207 -4.617 11.410 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -7.858 -5.096 8.454 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -8.581 -5.875 9.847 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.904 -3.939 8.591 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.958 -4.033 10.340 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -8.489 -2.083 8.605 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.129 -1.856 10.220 1.00 0.00 H new ATOM 1942 N VAL A 122 -5.173 -4.309 8.897 1.00 0.00 N ATOM 1943 CA VAL A 122 -3.855 -4.730 8.436 1.00 0.00 C ATOM 1944 C VAL A 122 -2.769 -4.149 9.330 1.00 0.00 C ATOM 1945 O VAL A 122 -1.893 -4.866 9.814 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.590 -4.299 6.979 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -2.181 -4.681 6.552 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.614 -4.915 6.043 1.00 0.00 C ATOM 0 H VAL A 122 -5.593 -3.557 8.351 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.834 -5.819 8.483 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.683 -3.214 6.924 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.016 -4.368 5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.458 -4.188 7.202 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.058 -5.762 6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.409 -4.598 5.020 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.556 -6.002 6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.613 -4.588 6.331 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.834 -2.839 9.539 1.00 0.00 N ATOM 1959 CA ILE A 123 -1.859 -2.150 10.368 1.00 0.00 C ATOM 1960 C ILE A 123 -1.938 -2.617 11.814 1.00 0.00 C ATOM 1961 O ILE A 123 -0.934 -2.654 12.512 1.00 0.00 O ATOM 1962 CB ILE A 123 -2.051 -0.624 10.315 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -1.974 -0.137 8.871 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -0.998 0.073 11.163 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -0.611 -0.340 8.249 1.00 0.00 C ATOM 0 H ILE A 123 -3.554 -2.234 9.144 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.875 -2.394 9.967 1.00 0.00 H new ATOM 0 HB ILE A 123 -3.035 -0.381 10.717 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.720 -0.663 8.276 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.228 0.922 8.837 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.148 1.152 11.115 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -1.085 -0.260 12.197 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.006 -0.173 10.785 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.621 0.026 7.222 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.136 0.209 8.823 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.364 -1.402 8.253 1.00 0.00 H new ATOM 1977 N ALA A 124 -3.132 -2.979 12.263 1.00 0.00 N ATOM 1978 CA ALA A 124 -3.311 -3.447 13.630 1.00 0.00 C ATOM 1979 C ALA A 124 -2.371 -4.609 13.927 1.00 0.00 C ATOM 1980 O ALA A 124 -1.983 -4.831 15.074 1.00 0.00 O ATOM 1981 CB ALA A 124 -4.757 -3.857 13.864 1.00 0.00 C ATOM 0 H ALA A 124 -3.986 -2.958 11.705 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.068 -2.629 14.309 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.875 -4.205 14.890 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.410 -3.001 13.693 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.023 -4.660 13.176 1.00 0.00 H new ATOM 1987 N LYS A 125 -2.009 -5.348 12.882 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.112 -6.492 13.028 1.00 0.00 C ATOM 1989 C LYS A 125 0.354 -6.055 13.111 1.00 0.00 C ATOM 1990 O LYS A 125 1.079 -6.464 14.018 1.00 0.00 O ATOM 1991 CB LYS A 125 -1.301 -7.463 11.861 1.00 0.00 C ATOM 1992 CG LYS A 125 -2.095 -8.707 12.227 1.00 0.00 C ATOM 1993 CD LYS A 125 -3.474 -8.352 12.757 1.00 0.00 C ATOM 1994 CE LYS A 125 -4.035 -9.459 13.635 1.00 0.00 C ATOM 1995 NZ LYS A 125 -5.493 -9.286 13.884 1.00 0.00 N ATOM 0 H LYS A 125 -2.322 -5.176 11.926 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.366 -6.993 13.962 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.808 -6.945 11.047 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.322 -7.764 11.487 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.195 -9.347 11.350 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.551 -9.279 12.979 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -3.418 -7.426 13.329 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -4.150 -8.170 11.922 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -3.860 -10.424 13.159 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -3.503 -9.472 14.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -5.837 -10.061 14.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -5.658 -8.377 14.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -6.004 -9.299 12.978 1.00 0.00 H new ATOM 2009 N LEU A 126 0.786 -5.235 12.155 1.00 0.00 N ATOM 2010 CA LEU A 126 2.167 -4.758 12.117 1.00 0.00 C ATOM 2011 C LEU A 126 2.401 -3.635 13.122 1.00 0.00 C ATOM 2012 O LEU A 126 3.514 -3.455 13.616 1.00 0.00 O ATOM 2013 CB LEU A 126 2.520 -4.276 10.708 1.00 0.00 C ATOM 2014 CG LEU A 126 3.919 -3.672 10.560 1.00 0.00 C ATOM 2015 CD1 LEU A 126 4.970 -4.605 11.146 1.00 0.00 C ATOM 2016 CD2 LEU A 126 4.220 -3.379 9.098 1.00 0.00 C ATOM 0 H LEU A 126 0.200 -4.887 11.396 1.00 0.00 H new ATOM 0 HA LEU A 126 2.813 -5.593 12.388 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.429 -5.116 10.020 1.00 0.00 H new ATOM 0 HB3 LEU A 126 1.785 -3.532 10.401 1.00 0.00 H new ATOM 0 HG LEU A 126 3.949 -2.733 11.113 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.958 -4.158 11.031 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.765 -4.765 12.204 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.941 -5.560 10.622 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.218 -2.950 9.011 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.171 -4.304 8.524 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.486 -2.672 8.710 1.00 0.00 H new ATOM 2028 N LYS A 127 1.349 -2.885 13.422 1.00 0.00 N ATOM 2029 CA LYS A 127 1.438 -1.779 14.370 1.00 0.00 C ATOM 2030 C LYS A 127 1.987 -2.259 15.700 1.00 0.00 C ATOM 2031 O LYS A 127 2.843 -1.611 16.305 1.00 0.00 O ATOM 2032 CB LYS A 127 0.064 -1.161 14.578 1.00 0.00 C ATOM 2033 CG LYS A 127 0.080 0.095 15.431 1.00 0.00 C ATOM 2034 CD LYS A 127 -1.161 0.941 15.202 1.00 0.00 C ATOM 2035 CE LYS A 127 -1.131 2.212 16.036 1.00 0.00 C ATOM 2036 NZ LYS A 127 -1.431 1.943 17.469 1.00 0.00 N ATOM 0 H LYS A 127 0.421 -3.022 13.022 1.00 0.00 H new ATOM 0 HA LYS A 127 2.115 -1.029 13.961 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -0.368 -0.923 13.606 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -0.589 -1.898 15.045 1.00 0.00 H new ATOM 0 HG2 LYS A 127 0.145 -0.180 16.484 1.00 0.00 H new ATOM 0 HG3 LYS A 127 0.969 0.682 15.200 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -1.237 1.199 14.146 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -2.049 0.361 15.453 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -0.149 2.678 15.952 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.856 2.923 15.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -1.401 2.835 18.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -2.378 1.522 17.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.724 1.285 17.854 1.00 0.00 H new ATOM 2050 N ARG A 128 1.509 -3.415 16.136 1.00 0.00 N ATOM 2051 CA ARG A 128 1.971 -4.005 17.379 1.00 0.00 C ATOM 2052 C ARG A 128 3.432 -4.426 17.237 1.00 0.00 C ATOM 2053 O ARG A 128 4.089 -4.774 18.218 1.00 0.00 O ATOM 2054 CB ARG A 128 1.105 -5.212 17.750 1.00 0.00 C ATOM 2055 CG ARG A 128 1.582 -5.949 18.992 1.00 0.00 C ATOM 2056 CD ARG A 128 0.573 -6.994 19.442 1.00 0.00 C ATOM 2057 NE ARG A 128 0.676 -7.275 20.871 1.00 0.00 N ATOM 2058 CZ ARG A 128 0.209 -6.470 21.822 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -0.396 -5.333 21.499 1.00 0.00 N ATOM 2060 NH2 ARG A 128 0.344 -6.802 23.098 1.00 0.00 N ATOM 0 H ARG A 128 0.801 -3.962 15.646 1.00 0.00 H new ATOM 0 HA ARG A 128 1.889 -3.265 18.175 1.00 0.00 H new ATOM 0 HB2 ARG A 128 0.080 -4.877 17.908 1.00 0.00 H new ATOM 0 HB3 ARG A 128 1.087 -5.907 16.910 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.538 -6.430 18.786 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.751 -5.235 19.798 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -0.435 -6.647 19.213 1.00 0.00 H new ATOM 0 HD3 ARG A 128 0.729 -7.914 18.879 1.00 0.00 H new ATOM 0 HE ARG A 128 1.133 -8.140 21.158 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -0.504 -5.074 20.519 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -0.752 -4.719 22.231 1.00 0.00 H new ATOM 0 HH21 ARG A 128 0.806 -7.675 23.352 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -0.014 -6.184 23.826 1.00 0.00 H new ATOM 2074 N LEU A 129 3.933 -4.382 16.000 1.00 0.00 N ATOM 2075 CA LEU A 129 5.316 -4.751 15.716 1.00 0.00 C ATOM 2076 C LEU A 129 5.681 -6.080 16.372 1.00 0.00 C ATOM 2077 O LEU A 129 4.883 -7.017 16.384 1.00 0.00 O ATOM 2078 CB LEU A 129 6.262 -3.651 16.202 1.00 0.00 C ATOM 2079 CG LEU A 129 5.865 -2.228 15.796 1.00 0.00 C ATOM 2080 CD1 LEU A 129 5.480 -1.409 17.018 1.00 0.00 C ATOM 2081 CD2 LEU A 129 6.996 -1.549 15.035 1.00 0.00 C ATOM 0 H LEU A 129 3.398 -4.094 15.180 1.00 0.00 H new ATOM 0 HA LEU A 129 5.419 -4.867 14.637 1.00 0.00 H new ATOM 0 HB2 LEU A 129 6.322 -3.699 17.289 1.00 0.00 H new ATOM 0 HB3 LEU A 129 7.261 -3.857 15.818 1.00 0.00 H new ATOM 0 HG LEU A 129 4.999 -2.292 15.138 1.00 0.00 H new ATOM 0 HD11 LEU A 129 5.201 -0.402 16.708 1.00 0.00 H new ATOM 0 HD12 LEU A 129 4.636 -1.880 17.521 1.00 0.00 H new ATOM 0 HD13 LEU A 129 6.327 -1.357 17.703 1.00 0.00 H new ATOM 0 HD21 LEU A 129 6.693 -0.540 14.756 1.00 0.00 H new ATOM 0 HD22 LEU A 129 7.882 -1.500 15.668 1.00 0.00 H new ATOM 0 HD23 LEU A 129 7.224 -2.121 14.135 1.00 0.00 H new