USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 621 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= 2.47 (180deg=2.02) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc=-0.00747 X(o=-0.0075,f=-0.39) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= 1.14 (180deg=0.292) USER MOD Single : A 31 LYS NZ :NH3+ 136:sc= 0.388 (180deg=-3.11!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc=0.000144 USER MOD Single : A 43 SER OG : rot -170:sc= -2.1! USER MOD Single : A 44 MET CE :methyl 142:sc= -3.75! (180deg=-7.71!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 145:sc= -0.0244 (180deg=-0.72) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 146:sc= 0.145 USER MOD Single : A 74 THR OG1 : rot 94:sc= 1.22 USER MOD Single : A 75 LYS NZ :NH3+ -143:sc= -0.128 (180deg=-0.427) USER MOD Single : A 76 TYR OH : rot 63:sc= 1.31 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 81 GLN : amide:sc= -1.05! C(o=-1!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.489 -3.159 5.915 1.00 0.00 N ATOM 2 CA MET A 1 13.074 -4.313 5.195 1.00 0.00 C ATOM 3 C MET A 1 12.783 -4.207 3.707 1.00 0.00 C ATOM 4 O MET A 1 11.647 -3.951 3.315 1.00 0.00 O ATOM 5 CB MET A 1 12.518 -5.632 5.743 1.00 0.00 C ATOM 6 CG MET A 1 12.994 -5.974 7.146 1.00 0.00 C ATOM 7 SD MET A 1 12.366 -4.842 8.402 1.00 0.00 S ATOM 8 CE MET A 1 13.152 -5.507 9.867 1.00 0.00 C ATOM 0 H1 MET A 1 12.591 -3.302 6.940 1.00 0.00 H new ATOM 0 H2 MET A 1 12.984 -2.288 5.636 1.00 0.00 H new ATOM 0 H3 MET A 1 11.480 -3.075 5.676 1.00 0.00 H new ATOM 0 HA MET A 1 14.153 -4.300 5.349 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.429 -5.582 5.743 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.800 -6.440 5.069 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.682 -6.989 7.392 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.084 -5.962 7.167 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.863 -4.915 10.735 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.837 -6.540 10.012 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.235 -5.471 9.747 1.00 0.00 H new ATOM 20 N ALA A 2 13.815 -4.379 2.887 1.00 0.00 N ATOM 21 CA ALA A 2 13.648 -4.363 1.440 1.00 0.00 C ATOM 22 C ALA A 2 12.895 -5.605 0.985 1.00 0.00 C ATOM 23 O ALA A 2 13.399 -6.728 1.084 1.00 0.00 O ATOM 24 CB ALA A 2 14.994 -4.255 0.741 1.00 0.00 C ATOM 0 H ALA A 2 14.774 -4.531 3.200 1.00 0.00 H new ATOM 0 HA ALA A 2 13.062 -3.485 1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 2 14.844 -4.245 -0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 2 15.490 -3.334 1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.615 -5.109 1.013 1.00 0.00 H new ATOM 30 N ALA A 3 11.682 -5.395 0.510 1.00 0.00 N ATOM 31 CA ALA A 3 10.787 -6.484 0.182 1.00 0.00 C ATOM 32 C ALA A 3 10.466 -6.506 -1.301 1.00 0.00 C ATOM 33 O ALA A 3 10.403 -5.458 -1.950 1.00 0.00 O ATOM 34 CB ALA A 3 9.507 -6.358 0.989 1.00 0.00 C ATOM 0 H ALA A 3 11.292 -4.468 0.342 1.00 0.00 H new ATOM 0 HA ALA A 3 11.285 -7.421 0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.837 -7.180 0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.743 -6.393 2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.022 -5.410 0.756 1.00 0.00 H new ATOM 40 N THR A 4 10.269 -7.696 -1.837 1.00 0.00 N ATOM 41 CA THR A 4 9.752 -7.831 -3.181 1.00 0.00 C ATOM 42 C THR A 4 8.226 -7.897 -3.107 1.00 0.00 C ATOM 43 O THR A 4 7.668 -7.762 -2.014 1.00 0.00 O ATOM 44 CB THR A 4 10.314 -9.078 -3.882 1.00 0.00 C ATOM 45 OG1 THR A 4 11.564 -9.453 -3.281 1.00 0.00 O ATOM 46 CG2 THR A 4 10.533 -8.793 -5.358 1.00 0.00 C ATOM 0 H THR A 4 10.459 -8.579 -1.362 1.00 0.00 H new ATOM 0 HA THR A 4 10.063 -6.969 -3.771 1.00 0.00 H new ATOM 0 HB THR A 4 9.598 -9.893 -3.775 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.917 -10.249 -3.730 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.931 -9.683 -5.845 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.585 -8.520 -5.820 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.241 -7.971 -5.469 1.00 0.00 H new ATOM 54 N GLN A 5 7.557 -8.118 -4.239 1.00 0.00 N ATOM 55 CA GLN A 5 6.096 -8.042 -4.298 1.00 0.00 C ATOM 56 C GLN A 5 5.433 -8.871 -3.197 1.00 0.00 C ATOM 57 O GLN A 5 4.683 -8.338 -2.392 1.00 0.00 O ATOM 58 CB GLN A 5 5.578 -8.510 -5.660 1.00 0.00 C ATOM 59 CG GLN A 5 4.162 -8.039 -5.952 1.00 0.00 C ATOM 60 CD GLN A 5 3.578 -8.665 -7.202 1.00 0.00 C ATOM 61 OE1 GLN A 5 3.796 -8.182 -8.312 1.00 0.00 O ATOM 62 NE2 GLN A 5 2.798 -9.719 -7.029 1.00 0.00 N ATOM 0 H GLN A 5 8.002 -8.351 -5.127 1.00 0.00 H new ATOM 0 HA GLN A 5 5.833 -6.995 -4.147 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.245 -8.144 -6.441 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.608 -9.599 -5.699 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.523 -8.275 -5.101 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.160 -6.954 -6.060 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.642 -10.090 -6.092 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.352 -10.161 -7.833 1.00 0.00 H new ATOM 71 N GLU A 6 5.747 -10.160 -3.142 1.00 0.00 N ATOM 72 CA GLU A 6 5.091 -11.080 -2.208 1.00 0.00 C ATOM 73 C GLU A 6 5.279 -10.654 -0.748 1.00 0.00 C ATOM 74 O GLU A 6 4.344 -10.708 0.053 1.00 0.00 O ATOM 75 CB GLU A 6 5.625 -12.502 -2.421 1.00 0.00 C ATOM 76 CG GLU A 6 7.126 -12.634 -2.216 1.00 0.00 C ATOM 77 CD GLU A 6 7.674 -13.917 -2.789 1.00 0.00 C ATOM 78 OE1 GLU A 6 7.658 -14.944 -2.079 1.00 0.00 O ATOM 79 OE2 GLU A 6 8.117 -13.903 -3.956 1.00 0.00 O ATOM 0 H GLU A 6 6.454 -10.597 -3.734 1.00 0.00 H new ATOM 0 HA GLU A 6 4.021 -11.055 -2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.114 -13.178 -1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.376 -12.825 -3.432 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.629 -11.787 -2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.350 -12.591 -1.150 1.00 0.00 H new ATOM 86 N GLU A 7 6.481 -10.212 -0.419 1.00 0.00 N ATOM 87 CA GLU A 7 6.817 -9.847 0.947 1.00 0.00 C ATOM 88 C GLU A 7 6.184 -8.511 1.315 1.00 0.00 C ATOM 89 O GLU A 7 5.588 -8.365 2.383 1.00 0.00 O ATOM 90 CB GLU A 7 8.331 -9.770 1.096 1.00 0.00 C ATOM 91 CG GLU A 7 8.804 -9.525 2.520 1.00 0.00 C ATOM 92 CD GLU A 7 10.310 -9.368 2.616 1.00 0.00 C ATOM 93 OE1 GLU A 7 10.995 -9.529 1.584 1.00 0.00 O ATOM 94 OE2 GLU A 7 10.812 -9.080 3.722 1.00 0.00 O ATOM 0 H GLU A 7 7.245 -10.097 -1.084 1.00 0.00 H new ATOM 0 HA GLU A 7 6.426 -10.608 1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.768 -10.701 0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.708 -8.971 0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.323 -8.627 2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.488 -10.355 3.152 1.00 0.00 H new ATOM 101 N ILE A 8 6.307 -7.543 0.417 1.00 0.00 N ATOM 102 CA ILE A 8 5.757 -6.217 0.646 1.00 0.00 C ATOM 103 C ILE A 8 4.230 -6.302 0.693 1.00 0.00 C ATOM 104 O ILE A 8 3.584 -5.594 1.457 1.00 0.00 O ATOM 105 CB ILE A 8 6.233 -5.222 -0.451 1.00 0.00 C ATOM 106 CG1 ILE A 8 6.149 -3.760 0.022 1.00 0.00 C ATOM 107 CG2 ILE A 8 5.439 -5.414 -1.731 1.00 0.00 C ATOM 108 CD1 ILE A 8 4.756 -3.160 0.022 1.00 0.00 C ATOM 0 H ILE A 8 6.784 -7.653 -0.478 1.00 0.00 H new ATOM 0 HA ILE A 8 6.118 -5.840 1.603 1.00 0.00 H new ATOM 0 HB ILE A 8 7.282 -5.440 -0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.554 -3.698 1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.789 -3.151 -0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.788 -4.708 -2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.577 -6.432 -2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.381 -5.240 -1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.804 -2.129 0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.350 -3.182 -0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.111 -3.737 0.684 1.00 0.00 H new ATOM 120 N VAL A 9 3.671 -7.208 -0.102 1.00 0.00 N ATOM 121 CA VAL A 9 2.235 -7.430 -0.138 1.00 0.00 C ATOM 122 C VAL A 9 1.727 -7.934 1.207 1.00 0.00 C ATOM 123 O VAL A 9 0.673 -7.509 1.662 1.00 0.00 O ATOM 124 CB VAL A 9 1.850 -8.411 -1.271 1.00 0.00 C ATOM 125 CG1 VAL A 9 0.537 -9.122 -0.974 1.00 0.00 C ATOM 126 CG2 VAL A 9 1.738 -7.660 -2.591 1.00 0.00 C ATOM 0 H VAL A 9 4.201 -7.806 -0.736 1.00 0.00 H new ATOM 0 HA VAL A 9 1.757 -6.473 -0.345 1.00 0.00 H new ATOM 0 HB VAL A 9 2.634 -9.165 -1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.299 -9.803 -1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.631 -9.687 -0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.260 -8.386 -0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.467 -8.357 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.972 -6.889 -2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.695 -7.196 -2.828 1.00 0.00 H new ATOM 136 N ALA A 10 2.484 -8.816 1.856 1.00 0.00 N ATOM 137 CA ALA A 10 2.111 -9.285 3.188 1.00 0.00 C ATOM 138 C ALA A 10 2.088 -8.119 4.167 1.00 0.00 C ATOM 139 O ALA A 10 1.187 -8.006 4.998 1.00 0.00 O ATOM 140 CB ALA A 10 3.070 -10.357 3.676 1.00 0.00 C ATOM 0 H ALA A 10 3.347 -9.215 1.488 1.00 0.00 H new ATOM 0 HA ALA A 10 1.114 -9.721 3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.770 -10.689 4.670 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.050 -11.203 2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.080 -9.949 3.719 1.00 0.00 H new ATOM 146 N GLY A 11 3.081 -7.246 4.045 1.00 0.00 N ATOM 147 CA GLY A 11 3.138 -6.065 4.877 1.00 0.00 C ATOM 148 C GLY A 11 2.019 -5.095 4.562 1.00 0.00 C ATOM 149 O GLY A 11 1.365 -4.581 5.465 1.00 0.00 O ATOM 0 H GLY A 11 3.850 -7.338 3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.080 -6.357 5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.098 -5.569 4.737 1.00 0.00 H new ATOM 153 N LEU A 12 1.794 -4.859 3.275 1.00 0.00 N ATOM 154 CA LEU A 12 0.726 -3.976 2.823 1.00 0.00 C ATOM 155 C LEU A 12 -0.630 -4.553 3.235 1.00 0.00 C ATOM 156 O LEU A 12 -1.521 -3.822 3.662 1.00 0.00 O ATOM 157 CB LEU A 12 0.794 -3.800 1.300 1.00 0.00 C ATOM 158 CG LEU A 12 0.633 -2.361 0.778 1.00 0.00 C ATOM 159 CD1 LEU A 12 -0.689 -1.759 1.227 1.00 0.00 C ATOM 160 CD2 LEU A 12 1.802 -1.483 1.218 1.00 0.00 C ATOM 0 H LEU A 12 2.342 -5.271 2.520 1.00 0.00 H new ATOM 0 HA LEU A 12 0.849 -2.998 3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.752 -4.186 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.018 -4.418 0.848 1.00 0.00 H new ATOM 0 HG LEU A 12 0.632 -2.404 -0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.775 -0.742 0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.512 -2.362 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.729 -1.740 2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.662 -0.472 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.847 -1.456 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.733 -1.893 0.827 1.00 0.00 H new ATOM 172 N ALA A 13 -0.762 -5.871 3.118 1.00 0.00 N ATOM 173 CA ALA A 13 -1.972 -6.579 3.529 1.00 0.00 C ATOM 174 C ALA A 13 -2.266 -6.326 4.995 1.00 0.00 C ATOM 175 O ALA A 13 -3.353 -5.877 5.357 1.00 0.00 O ATOM 176 CB ALA A 13 -1.816 -8.074 3.289 1.00 0.00 C ATOM 0 H ALA A 13 -0.036 -6.478 2.737 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.804 -6.205 2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.725 -8.589 3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.640 -8.256 2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.971 -8.449 3.866 1.00 0.00 H new ATOM 182 N GLU A 14 -1.274 -6.614 5.827 1.00 0.00 N ATOM 183 CA GLU A 14 -1.355 -6.371 7.257 1.00 0.00 C ATOM 184 C GLU A 14 -1.749 -4.926 7.529 1.00 0.00 C ATOM 185 O GLU A 14 -2.572 -4.637 8.393 1.00 0.00 O ATOM 186 CB GLU A 14 0.005 -6.649 7.889 1.00 0.00 C ATOM 187 CG GLU A 14 0.050 -6.377 9.385 1.00 0.00 C ATOM 188 CD GLU A 14 1.380 -6.732 10.010 1.00 0.00 C ATOM 189 OE1 GLU A 14 2.408 -6.152 9.607 1.00 0.00 O ATOM 190 OE2 GLU A 14 1.397 -7.584 10.925 1.00 0.00 O ATOM 0 H GLU A 14 -0.390 -7.024 5.526 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.111 -7.029 7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.273 -7.690 7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.758 -6.036 7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.159 -5.322 9.563 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.739 -6.946 9.876 1.00 0.00 H new ATOM 197 N ILE A 15 -1.146 -4.036 6.768 1.00 0.00 N ATOM 198 CA ILE A 15 -1.364 -2.610 6.898 1.00 0.00 C ATOM 199 C ILE A 15 -2.813 -2.216 6.609 1.00 0.00 C ATOM 200 O ILE A 15 -3.457 -1.561 7.425 1.00 0.00 O ATOM 201 CB ILE A 15 -0.397 -1.854 5.965 1.00 0.00 C ATOM 202 CG1 ILE A 15 1.008 -1.790 6.584 1.00 0.00 C ATOM 203 CG2 ILE A 15 -0.914 -0.473 5.614 1.00 0.00 C ATOM 204 CD1 ILE A 15 1.078 -1.129 7.946 1.00 0.00 C ATOM 0 H ILE A 15 -0.483 -4.285 6.034 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.165 -2.333 7.933 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.332 -2.411 5.030 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.398 -2.804 6.669 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.665 -1.252 5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.203 0.025 4.955 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.876 -0.562 5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.036 0.112 6.525 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.109 -1.132 8.299 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.723 -0.101 7.870 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.452 -1.678 8.649 1.00 0.00 H new ATOM 216 N VAL A 16 -3.332 -2.617 5.461 1.00 0.00 N ATOM 217 CA VAL A 16 -4.691 -2.246 5.088 1.00 0.00 C ATOM 218 C VAL A 16 -5.700 -2.996 5.951 1.00 0.00 C ATOM 219 O VAL A 16 -6.834 -2.552 6.134 1.00 0.00 O ATOM 220 CB VAL A 16 -4.980 -2.526 3.601 1.00 0.00 C ATOM 221 CG1 VAL A 16 -6.294 -1.880 3.189 1.00 0.00 C ATOM 222 CG2 VAL A 16 -3.835 -2.032 2.729 1.00 0.00 C ATOM 0 H VAL A 16 -2.842 -3.193 4.777 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.787 -1.173 5.254 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.068 -3.603 3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.486 -2.086 2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.105 -2.288 3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.234 -0.803 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.059 -2.239 1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.709 -0.958 2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.915 -2.544 3.012 1.00 0.00 H new ATOM 232 N ASN A 17 -5.274 -4.135 6.483 1.00 0.00 N ATOM 233 CA ASN A 17 -6.104 -4.927 7.383 1.00 0.00 C ATOM 234 C ASN A 17 -6.352 -4.155 8.683 1.00 0.00 C ATOM 235 O ASN A 17 -7.291 -4.441 9.427 1.00 0.00 O ATOM 236 CB ASN A 17 -5.428 -6.271 7.676 1.00 0.00 C ATOM 237 CG ASN A 17 -6.368 -7.277 8.317 1.00 0.00 C ATOM 238 OD1 ASN A 17 -6.477 -7.347 9.539 1.00 0.00 O ATOM 239 ND2 ASN A 17 -7.043 -8.070 7.493 1.00 0.00 N ATOM 0 H ASN A 17 -4.352 -4.533 6.305 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.064 -5.120 6.905 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.038 -6.686 6.747 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.575 -6.107 8.335 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.682 -8.771 7.869 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.923 -7.978 6.484 1.00 0.00 H new ATOM 246 N GLU A 18 -5.496 -3.168 8.942 1.00 0.00 N ATOM 247 CA GLU A 18 -5.659 -2.275 10.086 1.00 0.00 C ATOM 248 C GLU A 18 -6.635 -1.155 9.743 1.00 0.00 C ATOM 249 O GLU A 18 -7.332 -0.636 10.609 1.00 0.00 O ATOM 250 CB GLU A 18 -4.312 -1.659 10.470 1.00 0.00 C ATOM 251 CG GLU A 18 -3.213 -2.682 10.695 1.00 0.00 C ATOM 252 CD GLU A 18 -3.253 -3.308 12.070 1.00 0.00 C ATOM 253 OE1 GLU A 18 -4.161 -4.123 12.344 1.00 0.00 O ATOM 254 OE2 GLU A 18 -2.360 -2.996 12.884 1.00 0.00 O ATOM 0 H GLU A 18 -4.676 -2.966 8.369 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.048 -2.856 10.923 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.000 -0.971 9.684 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.438 -1.069 11.378 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.297 -3.467 9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.245 -2.203 10.549 1.00 0.00 H new ATOM 261 N ILE A 19 -6.675 -0.796 8.463 1.00 0.00 N ATOM 262 CA ILE A 19 -7.465 0.340 8.004 1.00 0.00 C ATOM 263 C ILE A 19 -8.919 -0.054 7.741 1.00 0.00 C ATOM 264 O ILE A 19 -9.843 0.563 8.265 1.00 0.00 O ATOM 265 CB ILE A 19 -6.886 0.936 6.701 1.00 0.00 C ATOM 266 CG1 ILE A 19 -5.392 1.241 6.845 1.00 0.00 C ATOM 267 CG2 ILE A 19 -7.647 2.194 6.331 1.00 0.00 C ATOM 268 CD1 ILE A 19 -4.770 1.869 5.611 1.00 0.00 C ATOM 0 H ILE A 19 -6.166 -1.279 7.722 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.426 1.082 8.802 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.999 0.199 5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.248 1.911 7.693 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.863 0.316 7.076 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.236 2.611 5.412 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.699 1.952 6.181 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.554 2.925 7.134 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.711 2.055 5.792 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.880 1.192 4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.271 2.811 5.390 1.00 0.00 H new ATOM 280 N ALA A 20 -9.112 -1.087 6.935 1.00 0.00 N ATOM 281 CA ALA A 20 -10.446 -1.468 6.501 1.00 0.00 C ATOM 282 C ALA A 20 -10.667 -2.967 6.663 1.00 0.00 C ATOM 283 O ALA A 20 -11.160 -3.416 7.696 1.00 0.00 O ATOM 284 CB ALA A 20 -10.674 -1.029 5.060 1.00 0.00 C ATOM 0 H ALA A 20 -8.363 -1.675 6.569 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.175 -0.961 7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.676 -1.320 4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.571 0.054 4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.938 -1.507 4.413 1.00 0.00 H new ATOM 290 N GLY A 21 -10.287 -3.749 5.657 1.00 0.00 N ATOM 291 CA GLY A 21 -10.415 -5.185 5.781 1.00 0.00 C ATOM 292 C GLY A 21 -10.358 -5.938 4.464 1.00 0.00 C ATOM 293 O GLY A 21 -11.298 -6.655 4.123 1.00 0.00 O ATOM 0 H GLY A 21 -9.899 -3.419 4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.621 -5.553 6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -11.360 -5.412 6.274 1.00 0.00 H new ATOM 297 N ILE A 22 -9.281 -5.762 3.708 1.00 0.00 N ATOM 298 CA ILE A 22 -8.981 -6.684 2.621 1.00 0.00 C ATOM 299 C ILE A 22 -8.153 -7.839 3.181 1.00 0.00 C ATOM 300 O ILE A 22 -7.131 -7.611 3.830 1.00 0.00 O ATOM 301 CB ILE A 22 -8.221 -6.013 1.440 1.00 0.00 C ATOM 302 CG1 ILE A 22 -9.168 -5.143 0.598 1.00 0.00 C ATOM 303 CG2 ILE A 22 -7.543 -7.057 0.560 1.00 0.00 C ATOM 304 CD1 ILE A 22 -10.345 -5.900 0.015 1.00 0.00 C ATOM 0 H ILE A 22 -8.611 -5.002 3.825 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.928 -7.038 2.214 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.451 -5.371 1.868 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.544 -4.329 1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.602 -4.690 -0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.020 -6.560 -0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.829 -7.626 1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.295 -7.732 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.966 -5.217 -0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.980 -6.697 -0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.937 -6.331 0.823 1.00 0.00 H new ATOM 316 N PRO A 23 -8.611 -9.088 2.985 1.00 0.00 N ATOM 317 CA PRO A 23 -7.871 -10.277 3.419 1.00 0.00 C ATOM 318 C PRO A 23 -6.456 -10.298 2.856 1.00 0.00 C ATOM 319 O PRO A 23 -6.214 -9.808 1.753 1.00 0.00 O ATOM 320 CB PRO A 23 -8.690 -11.439 2.852 1.00 0.00 C ATOM 321 CG PRO A 23 -10.064 -10.891 2.681 1.00 0.00 C ATOM 322 CD PRO A 23 -9.893 -9.437 2.345 1.00 0.00 C ATOM 0 HA PRO A 23 -7.755 -10.317 4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.281 -11.784 1.902 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.687 -12.293 3.530 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.596 -11.415 1.887 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.649 -11.014 3.592 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.862 -9.274 1.268 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.714 -8.835 2.735 1.00 0.00 H new ATOM 330 N VAL A 24 -5.530 -10.867 3.616 1.00 0.00 N ATOM 331 CA VAL A 24 -4.123 -10.900 3.225 1.00 0.00 C ATOM 332 C VAL A 24 -3.937 -11.518 1.836 1.00 0.00 C ATOM 333 O VAL A 24 -3.158 -11.022 1.022 1.00 0.00 O ATOM 334 CB VAL A 24 -3.284 -11.679 4.263 1.00 0.00 C ATOM 335 CG1 VAL A 24 -1.841 -11.840 3.803 1.00 0.00 C ATOM 336 CG2 VAL A 24 -3.340 -10.988 5.618 1.00 0.00 C ATOM 0 H VAL A 24 -5.727 -11.314 4.511 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.774 -9.868 3.187 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.714 -12.676 4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.279 -12.392 4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.819 -12.386 2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.392 -10.857 3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.744 -11.549 6.338 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.942 -9.977 5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.374 -10.942 5.961 1.00 0.00 H new ATOM 346 N GLU A 25 -4.681 -12.578 1.562 1.00 0.00 N ATOM 347 CA GLU A 25 -4.579 -13.281 0.287 1.00 0.00 C ATOM 348 C GLU A 25 -5.261 -12.497 -0.836 1.00 0.00 C ATOM 349 O GLU A 25 -5.033 -12.765 -2.013 1.00 0.00 O ATOM 350 CB GLU A 25 -5.208 -14.676 0.396 1.00 0.00 C ATOM 351 CG GLU A 25 -4.710 -15.485 1.583 1.00 0.00 C ATOM 352 CD GLU A 25 -3.201 -15.615 1.624 1.00 0.00 C ATOM 353 OE1 GLU A 25 -2.631 -16.321 0.760 1.00 0.00 O ATOM 354 OE2 GLU A 25 -2.582 -15.016 2.525 1.00 0.00 O ATOM 0 H GLU A 25 -5.365 -12.974 2.206 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.520 -13.378 0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.290 -14.571 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.002 -15.229 -0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.053 -15.015 2.505 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.153 -16.480 1.548 1.00 0.00 H new ATOM 361 N ASP A 26 -6.110 -11.540 -0.472 1.00 0.00 N ATOM 362 CA ASP A 26 -6.908 -10.822 -1.463 1.00 0.00 C ATOM 363 C ASP A 26 -6.177 -9.586 -1.965 1.00 0.00 C ATOM 364 O ASP A 26 -6.650 -8.908 -2.877 1.00 0.00 O ATOM 365 CB ASP A 26 -8.262 -10.406 -0.880 1.00 0.00 C ATOM 366 CG ASP A 26 -9.352 -10.328 -1.938 1.00 0.00 C ATOM 367 OD1 ASP A 26 -9.901 -11.391 -2.306 1.00 0.00 O ATOM 368 OD2 ASP A 26 -9.673 -9.210 -2.398 1.00 0.00 O ATOM 0 H ASP A 26 -6.263 -11.245 0.492 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.072 -11.502 -2.299 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.557 -11.119 -0.111 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.162 -9.436 -0.394 1.00 0.00 H new ATOM 373 N VAL A 27 -5.030 -9.287 -1.370 1.00 0.00 N ATOM 374 CA VAL A 27 -4.262 -8.120 -1.767 1.00 0.00 C ATOM 375 C VAL A 27 -3.691 -8.332 -3.159 1.00 0.00 C ATOM 376 O VAL A 27 -2.888 -9.234 -3.395 1.00 0.00 O ATOM 377 CB VAL A 27 -3.142 -7.789 -0.757 1.00 0.00 C ATOM 378 CG1 VAL A 27 -2.404 -6.510 -1.148 1.00 0.00 C ATOM 379 CG2 VAL A 27 -3.734 -7.658 0.638 1.00 0.00 C ATOM 0 H VAL A 27 -4.615 -9.834 -0.616 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.935 -7.263 -1.780 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.417 -8.603 -0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.622 -6.304 -0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.956 -6.635 -2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.107 -5.677 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.942 -7.424 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.475 -6.859 0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.210 -8.597 0.921 1.00 0.00 H new ATOM 389 N LYS A 28 -4.135 -7.494 -4.077 1.00 0.00 N ATOM 390 CA LYS A 28 -3.851 -7.662 -5.486 1.00 0.00 C ATOM 391 C LYS A 28 -3.393 -6.346 -6.067 1.00 0.00 C ATOM 392 O LYS A 28 -3.891 -5.295 -5.679 1.00 0.00 O ATOM 393 CB LYS A 28 -5.109 -8.118 -6.219 1.00 0.00 C ATOM 394 CG LYS A 28 -5.503 -9.557 -5.948 1.00 0.00 C ATOM 395 CD LYS A 28 -7.018 -9.730 -5.932 1.00 0.00 C ATOM 396 CE LYS A 28 -7.703 -9.123 -7.153 1.00 0.00 C ATOM 397 NZ LYS A 28 -7.272 -9.749 -8.430 1.00 0.00 N ATOM 0 H LYS A 28 -4.705 -6.675 -3.863 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.069 -8.413 -5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.936 -7.468 -5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.957 -7.991 -7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.070 -10.203 -6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.090 -9.874 -4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.256 -10.792 -5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.421 -9.269 -5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.783 -9.230 -7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.491 -8.054 -7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.981 -9.558 -9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.356 -9.351 -8.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.178 -10.776 -8.299 1.00 0.00 H new ATOM 411 N LEU A 29 -2.474 -6.403 -7.011 1.00 0.00 N ATOM 412 CA LEU A 29 -1.955 -5.195 -7.636 1.00 0.00 C ATOM 413 C LEU A 29 -2.976 -4.595 -8.597 1.00 0.00 C ATOM 414 O LEU A 29 -2.756 -3.529 -9.165 1.00 0.00 O ATOM 415 CB LEU A 29 -0.633 -5.476 -8.360 1.00 0.00 C ATOM 416 CG LEU A 29 0.627 -5.382 -7.491 1.00 0.00 C ATOM 417 CD1 LEU A 29 0.537 -6.305 -6.286 1.00 0.00 C ATOM 418 CD2 LEU A 29 1.854 -5.698 -8.325 1.00 0.00 C ATOM 0 H LEU A 29 -2.070 -7.270 -7.364 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.763 -4.468 -6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.681 -6.475 -8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.536 -4.774 -9.188 1.00 0.00 H new ATOM 0 HG LEU A 29 0.711 -4.363 -7.114 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.445 -6.215 -5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.324 -6.027 -5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.425 -7.335 -6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.745 -5.629 -7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.770 -6.707 -8.728 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.930 -4.985 -9.146 1.00 0.00 H new ATOM 430 N ASP A 30 -4.100 -5.282 -8.759 1.00 0.00 N ATOM 431 CA ASP A 30 -5.143 -4.835 -9.668 1.00 0.00 C ATOM 432 C ASP A 30 -6.364 -4.311 -8.915 1.00 0.00 C ATOM 433 O ASP A 30 -7.268 -3.745 -9.525 1.00 0.00 O ATOM 434 CB ASP A 30 -5.565 -5.975 -10.600 1.00 0.00 C ATOM 435 CG ASP A 30 -6.199 -7.135 -9.860 1.00 0.00 C ATOM 436 OD1 ASP A 30 -5.451 -7.997 -9.343 1.00 0.00 O ATOM 437 OD2 ASP A 30 -7.445 -7.203 -9.796 1.00 0.00 O ATOM 0 H ASP A 30 -4.311 -6.152 -8.271 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.730 -4.016 -10.257 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.270 -5.592 -11.338 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.693 -6.332 -11.147 1.00 0.00 H new ATOM 442 N LYS A 31 -6.397 -4.473 -7.591 1.00 0.00 N ATOM 443 CA LYS A 31 -7.561 -4.038 -6.835 1.00 0.00 C ATOM 444 C LYS A 31 -7.349 -2.603 -6.356 1.00 0.00 C ATOM 445 O LYS A 31 -6.242 -2.219 -5.970 1.00 0.00 O ATOM 446 CB LYS A 31 -7.863 -5.014 -5.686 1.00 0.00 C ATOM 447 CG LYS A 31 -7.163 -4.729 -4.373 1.00 0.00 C ATOM 448 CD LYS A 31 -7.117 -5.960 -3.496 1.00 0.00 C ATOM 449 CE LYS A 31 -8.490 -6.350 -2.947 1.00 0.00 C ATOM 450 NZ LYS A 31 -9.396 -6.963 -3.966 1.00 0.00 N ATOM 0 H LYS A 31 -5.650 -4.891 -7.036 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.442 -4.045 -7.477 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.939 -5.015 -5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.592 -6.019 -6.009 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.149 -4.380 -4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.681 -3.926 -3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.710 -6.793 -4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.436 -5.782 -2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.356 -7.053 -2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.971 -5.463 -2.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.871 -7.792 -3.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.109 -6.266 -4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.839 -7.258 -4.793 1.00 0.00 H new ATOM 464 N SER A 32 -8.400 -1.805 -6.413 1.00 0.00 N ATOM 465 CA SER A 32 -8.278 -0.375 -6.190 1.00 0.00 C ATOM 466 C SER A 32 -8.407 -0.028 -4.709 1.00 0.00 C ATOM 467 O SER A 32 -9.275 -0.550 -4.018 1.00 0.00 O ATOM 468 CB SER A 32 -9.337 0.359 -7.013 1.00 0.00 C ATOM 469 OG SER A 32 -9.267 -0.020 -8.378 1.00 0.00 O ATOM 0 H SER A 32 -9.349 -2.123 -6.612 1.00 0.00 H new ATOM 0 HA SER A 32 -7.286 -0.056 -6.511 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.329 0.136 -6.620 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.193 1.436 -6.922 1.00 0.00 H new ATOM 0 HG SER A 32 -9.954 0.460 -8.886 1.00 0.00 H new ATOM 475 N PHE A 33 -7.527 0.850 -4.233 1.00 0.00 N ATOM 476 CA PHE A 33 -7.555 1.312 -2.851 1.00 0.00 C ATOM 477 C PHE A 33 -8.909 1.918 -2.526 1.00 0.00 C ATOM 478 O PHE A 33 -9.532 1.588 -1.519 1.00 0.00 O ATOM 479 CB PHE A 33 -6.468 2.367 -2.619 1.00 0.00 C ATOM 480 CG PHE A 33 -5.294 1.882 -1.816 1.00 0.00 C ATOM 481 CD1 PHE A 33 -5.480 1.258 -0.594 1.00 0.00 C ATOM 482 CD2 PHE A 33 -4.004 2.071 -2.275 1.00 0.00 C ATOM 483 CE1 PHE A 33 -4.400 0.827 0.153 1.00 0.00 C ATOM 484 CE2 PHE A 33 -2.920 1.641 -1.535 1.00 0.00 C ATOM 485 CZ PHE A 33 -3.118 1.019 -0.320 1.00 0.00 C ATOM 0 H PHE A 33 -6.779 1.258 -4.793 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.374 0.455 -2.203 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.110 2.721 -3.586 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.912 3.223 -2.110 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.482 1.106 -0.220 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.842 2.561 -3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.559 0.341 1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.918 1.792 -1.908 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.271 0.683 0.260 1.00 0.00 H new ATOM 495 N THR A 34 -9.361 2.787 -3.407 1.00 0.00 N ATOM 496 CA THR A 34 -10.609 3.492 -3.217 1.00 0.00 C ATOM 497 C THR A 34 -11.807 2.556 -3.399 1.00 0.00 C ATOM 498 O THR A 34 -12.827 2.705 -2.731 1.00 0.00 O ATOM 499 CB THR A 34 -10.703 4.665 -4.214 1.00 0.00 C ATOM 500 OG1 THR A 34 -10.522 4.178 -5.552 1.00 0.00 O ATOM 501 CG2 THR A 34 -9.640 5.715 -3.929 1.00 0.00 C ATOM 0 H THR A 34 -8.874 3.023 -4.272 1.00 0.00 H new ATOM 0 HA THR A 34 -10.631 3.877 -2.197 1.00 0.00 H new ATOM 0 HB THR A 34 -11.687 5.120 -4.105 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.584 4.925 -6.183 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.731 6.529 -4.648 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.775 6.105 -2.920 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.651 5.264 -4.015 1.00 0.00 H new ATOM 509 N ASP A 35 -11.668 1.587 -4.298 1.00 0.00 N ATOM 510 CA ASP A 35 -12.787 0.716 -4.665 1.00 0.00 C ATOM 511 C ASP A 35 -12.821 -0.552 -3.807 1.00 0.00 C ATOM 512 O ASP A 35 -13.735 -0.758 -3.011 1.00 0.00 O ATOM 513 CB ASP A 35 -12.690 0.348 -6.151 1.00 0.00 C ATOM 514 CG ASP A 35 -14.020 -0.066 -6.753 1.00 0.00 C ATOM 515 OD1 ASP A 35 -14.794 0.830 -7.156 1.00 0.00 O ATOM 516 OD2 ASP A 35 -14.281 -1.283 -6.866 1.00 0.00 O ATOM 0 H ASP A 35 -10.796 1.383 -4.786 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.713 1.261 -4.483 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.298 1.201 -6.705 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.975 -0.466 -6.271 1.00 0.00 H new ATOM 521 N ASP A 36 -11.796 -1.380 -3.969 1.00 0.00 N ATOM 522 CA ASP A 36 -11.716 -2.682 -3.309 1.00 0.00 C ATOM 523 C ASP A 36 -11.355 -2.545 -1.840 1.00 0.00 C ATOM 524 O ASP A 36 -12.033 -3.082 -0.967 1.00 0.00 O ATOM 525 CB ASP A 36 -10.641 -3.552 -3.961 1.00 0.00 C ATOM 526 CG ASP A 36 -10.918 -3.916 -5.401 1.00 0.00 C ATOM 527 OD1 ASP A 36 -10.816 -3.027 -6.277 1.00 0.00 O ATOM 528 OD2 ASP A 36 -11.157 -5.109 -5.666 1.00 0.00 O ATOM 0 H ASP A 36 -10.994 -1.169 -4.563 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.700 -3.139 -3.408 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.687 -3.028 -3.909 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.533 -4.469 -3.382 1.00 0.00 H new ATOM 533 N LEU A 37 -10.264 -1.826 -1.583 1.00 0.00 N ATOM 534 CA LEU A 37 -9.689 -1.732 -0.244 1.00 0.00 C ATOM 535 C LEU A 37 -10.637 -0.998 0.703 1.00 0.00 C ATOM 536 O LEU A 37 -10.455 -1.043 1.917 1.00 0.00 O ATOM 537 CB LEU A 37 -8.324 -1.010 -0.277 1.00 0.00 C ATOM 538 CG LEU A 37 -7.126 -1.769 -0.898 1.00 0.00 C ATOM 539 CD1 LEU A 37 -6.744 -2.975 -0.070 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.406 -2.208 -2.315 1.00 0.00 C ATOM 0 H LEU A 37 -9.757 -1.296 -2.292 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.539 -2.748 0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.451 -0.077 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.059 -0.745 0.747 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.294 -1.065 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.900 -3.483 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.465 -2.654 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.591 -3.658 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.538 -2.736 -2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.271 -2.871 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.611 -1.334 -2.933 1.00 0.00 H new ATOM 552 N ASP A 38 -11.638 -0.320 0.128 1.00 0.00 N ATOM 553 CA ASP A 38 -12.642 0.425 0.900 1.00 0.00 C ATOM 554 C ASP A 38 -11.953 1.528 1.694 1.00 0.00 C ATOM 555 O ASP A 38 -12.379 1.906 2.786 1.00 0.00 O ATOM 556 CB ASP A 38 -13.406 -0.518 1.844 1.00 0.00 C ATOM 557 CG ASP A 38 -14.837 -0.077 2.094 1.00 0.00 C ATOM 558 OD1 ASP A 38 -15.082 0.705 3.036 1.00 0.00 O ATOM 559 OD2 ASP A 38 -15.737 -0.527 1.350 1.00 0.00 O ATOM 0 H ASP A 38 -11.775 -0.272 -0.882 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.361 0.872 0.213 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.410 -1.522 1.420 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.878 -0.576 2.796 1.00 0.00 H new ATOM 564 N VAL A 39 -10.889 2.064 1.116 1.00 0.00 N ATOM 565 CA VAL A 39 -10.040 2.989 1.826 1.00 0.00 C ATOM 566 C VAL A 39 -10.383 4.430 1.460 1.00 0.00 C ATOM 567 O VAL A 39 -10.808 4.721 0.339 1.00 0.00 O ATOM 568 CB VAL A 39 -8.544 2.691 1.537 1.00 0.00 C ATOM 569 CG1 VAL A 39 -7.960 3.647 0.508 1.00 0.00 C ATOM 570 CG2 VAL A 39 -7.739 2.707 2.825 1.00 0.00 C ATOM 0 H VAL A 39 -10.599 1.870 0.158 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.215 2.860 2.894 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.484 1.691 1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.912 3.402 0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.512 3.556 -0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.038 4.670 0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.693 2.496 2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.820 3.688 3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.126 1.948 3.505 1.00 0.00 H new ATOM 580 N ASP A 40 -10.229 5.321 2.422 1.00 0.00 N ATOM 581 CA ASP A 40 -10.396 6.743 2.179 1.00 0.00 C ATOM 582 C ASP A 40 -9.035 7.371 1.915 1.00 0.00 C ATOM 583 O ASP A 40 -8.007 6.704 2.064 1.00 0.00 O ATOM 584 CB ASP A 40 -11.062 7.432 3.372 1.00 0.00 C ATOM 585 CG ASP A 40 -12.497 6.994 3.584 1.00 0.00 C ATOM 586 OD1 ASP A 40 -12.720 5.994 4.298 1.00 0.00 O ATOM 587 OD2 ASP A 40 -13.412 7.658 3.050 1.00 0.00 O ATOM 0 H ASP A 40 -9.987 5.084 3.384 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.041 6.874 1.310 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.487 7.221 4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.036 8.511 3.222 1.00 0.00 H new ATOM 592 N SER A 41 -9.027 8.646 1.550 1.00 0.00 N ATOM 593 CA SER A 41 -7.793 9.350 1.242 1.00 0.00 C ATOM 594 C SER A 41 -6.837 9.295 2.429 1.00 0.00 C ATOM 595 O SER A 41 -5.704 8.813 2.319 1.00 0.00 O ATOM 596 CB SER A 41 -8.109 10.802 0.891 1.00 0.00 C ATOM 597 OG SER A 41 -9.140 10.870 -0.079 1.00 0.00 O ATOM 0 H SER A 41 -9.868 9.216 1.460 1.00 0.00 H new ATOM 0 HA SER A 41 -7.313 8.868 0.391 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.412 11.341 1.789 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.213 11.293 0.511 1.00 0.00 H new ATOM 0 HG SER A 41 -9.330 11.808 -0.290 1.00 0.00 H new ATOM 603 N LEU A 42 -7.314 9.765 3.573 1.00 0.00 N ATOM 604 CA LEU A 42 -6.509 9.781 4.778 1.00 0.00 C ATOM 605 C LEU A 42 -6.194 8.367 5.237 1.00 0.00 C ATOM 606 O LEU A 42 -5.076 8.083 5.644 1.00 0.00 O ATOM 607 CB LEU A 42 -7.220 10.550 5.893 1.00 0.00 C ATOM 608 CG LEU A 42 -6.509 10.509 7.246 1.00 0.00 C ATOM 609 CD1 LEU A 42 -5.058 10.949 7.101 1.00 0.00 C ATOM 610 CD2 LEU A 42 -7.241 11.377 8.257 1.00 0.00 C ATOM 0 H LEU A 42 -8.256 10.140 3.688 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.571 10.287 4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.330 11.590 5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.225 10.145 6.013 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.516 9.482 7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.568 10.913 8.074 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.543 10.281 6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.024 11.968 6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.722 11.337 9.215 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.267 12.407 7.901 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.260 11.011 8.381 1.00 0.00 H new ATOM 622 N SER A 43 -7.179 7.486 5.143 1.00 0.00 N ATOM 623 CA SER A 43 -7.043 6.119 5.626 1.00 0.00 C ATOM 624 C SER A 43 -5.774 5.459 5.090 1.00 0.00 C ATOM 625 O SER A 43 -4.933 4.977 5.865 1.00 0.00 O ATOM 626 CB SER A 43 -8.271 5.318 5.215 1.00 0.00 C ATOM 627 OG SER A 43 -9.456 5.995 5.584 1.00 0.00 O ATOM 0 H SER A 43 -8.089 7.696 4.733 1.00 0.00 H new ATOM 0 HA SER A 43 -6.964 6.141 6.713 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.260 5.154 4.137 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.245 4.336 5.687 1.00 0.00 H new ATOM 0 HG SER A 43 -10.225 5.401 5.457 1.00 0.00 H new ATOM 633 N MET A 44 -5.618 5.457 3.768 1.00 0.00 N ATOM 634 CA MET A 44 -4.449 4.848 3.163 1.00 0.00 C ATOM 635 C MET A 44 -3.194 5.619 3.529 1.00 0.00 C ATOM 636 O MET A 44 -2.178 5.029 3.857 1.00 0.00 O ATOM 637 CB MET A 44 -4.582 4.714 1.641 1.00 0.00 C ATOM 638 CG MET A 44 -4.886 5.998 0.884 1.00 0.00 C ATOM 639 SD MET A 44 -5.184 5.663 -0.863 1.00 0.00 S ATOM 640 CE MET A 44 -5.933 7.192 -1.403 1.00 0.00 C ATOM 0 H MET A 44 -6.280 5.866 3.108 1.00 0.00 H new ATOM 0 HA MET A 44 -4.370 3.838 3.565 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.654 4.296 1.250 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.371 3.993 1.427 1.00 0.00 H new ATOM 0 HG2 MET A 44 -5.760 6.483 1.319 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.052 6.692 0.988 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.580 7.436 -2.405 1.00 0.00 H new ATOM 0 HE2 MET A 44 -7.017 7.081 -1.418 1.00 0.00 H new ATOM 0 HE3 MET A 44 -5.660 7.993 -0.717 1.00 0.00 H new ATOM 650 N VAL A 45 -3.270 6.934 3.529 1.00 0.00 N ATOM 651 CA VAL A 45 -2.109 7.727 3.887 1.00 0.00 C ATOM 652 C VAL A 45 -1.695 7.458 5.343 1.00 0.00 C ATOM 653 O VAL A 45 -0.534 7.580 5.694 1.00 0.00 O ATOM 654 CB VAL A 45 -2.362 9.235 3.646 1.00 0.00 C ATOM 655 CG1 VAL A 45 -1.198 10.080 4.140 1.00 0.00 C ATOM 656 CG2 VAL A 45 -2.603 9.482 2.168 1.00 0.00 C ATOM 0 H VAL A 45 -4.105 7.469 3.290 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.284 7.427 3.240 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.246 9.529 4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.409 11.133 3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.060 9.920 5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.290 9.793 3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.781 10.544 2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.728 9.167 1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.473 8.913 1.841 1.00 0.00 H new ATOM 666 N GLU A 46 -2.631 7.025 6.172 1.00 0.00 N ATOM 667 CA GLU A 46 -2.333 6.793 7.579 1.00 0.00 C ATOM 668 C GLU A 46 -1.514 5.527 7.778 1.00 0.00 C ATOM 669 O GLU A 46 -0.327 5.576 8.132 1.00 0.00 O ATOM 670 CB GLU A 46 -3.630 6.670 8.383 1.00 0.00 C ATOM 671 CG GLU A 46 -4.308 7.991 8.683 1.00 0.00 C ATOM 672 CD GLU A 46 -3.602 8.758 9.776 1.00 0.00 C ATOM 673 OE1 GLU A 46 -3.812 8.425 10.960 1.00 0.00 O ATOM 674 OE2 GLU A 46 -2.839 9.692 9.457 1.00 0.00 O ATOM 0 H GLU A 46 -3.594 6.828 5.901 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.752 7.646 7.930 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.325 6.035 7.833 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.413 6.165 9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.338 8.597 7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.341 7.809 8.978 1.00 0.00 H new ATOM 681 N VAL A 47 -2.108 4.384 7.488 1.00 0.00 N ATOM 682 CA VAL A 47 -1.450 3.145 7.824 1.00 0.00 C ATOM 683 C VAL A 47 -0.591 2.664 6.664 1.00 0.00 C ATOM 684 O VAL A 47 0.373 1.932 6.865 1.00 0.00 O ATOM 685 CB VAL A 47 -2.462 2.064 8.260 1.00 0.00 C ATOM 686 CG1 VAL A 47 -1.756 0.867 8.883 1.00 0.00 C ATOM 687 CG2 VAL A 47 -3.467 2.649 9.241 1.00 0.00 C ATOM 0 H VAL A 47 -3.017 4.292 7.034 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.796 3.333 8.676 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.990 1.720 7.371 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.495 0.123 9.180 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.072 0.429 8.156 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.195 1.191 9.760 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.175 1.876 9.541 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.942 3.021 10.121 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.005 3.469 8.765 1.00 0.00 H new ATOM 697 N VAL A 48 -0.897 3.115 5.449 1.00 0.00 N ATOM 698 CA VAL A 48 -0.098 2.714 4.298 1.00 0.00 C ATOM 699 C VAL A 48 1.175 3.561 4.236 1.00 0.00 C ATOM 700 O VAL A 48 2.172 3.150 3.650 1.00 0.00 O ATOM 701 CB VAL A 48 -0.885 2.774 2.961 1.00 0.00 C ATOM 702 CG1 VAL A 48 -0.093 2.164 1.811 1.00 0.00 C ATOM 703 CG2 VAL A 48 -2.219 2.064 3.105 1.00 0.00 C ATOM 0 H VAL A 48 -1.673 3.743 5.240 1.00 0.00 H new ATOM 0 HA VAL A 48 0.172 1.667 4.433 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.056 3.825 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.678 2.225 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.841 2.710 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.125 1.119 2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.761 2.113 2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.049 1.021 3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.806 2.547 3.886 1.00 0.00 H new ATOM 713 N VAL A 49 1.160 4.737 4.872 1.00 0.00 N ATOM 714 CA VAL A 49 2.404 5.475 5.091 1.00 0.00 C ATOM 715 C VAL A 49 3.211 4.789 6.192 1.00 0.00 C ATOM 716 O VAL A 49 4.441 4.751 6.162 1.00 0.00 O ATOM 717 CB VAL A 49 2.155 6.965 5.427 1.00 0.00 C ATOM 718 CG1 VAL A 49 3.312 7.575 6.212 1.00 0.00 C ATOM 719 CG2 VAL A 49 1.924 7.752 4.144 1.00 0.00 C ATOM 0 H VAL A 49 0.321 5.188 5.236 1.00 0.00 H new ATOM 0 HA VAL A 49 2.974 5.464 4.162 1.00 0.00 H new ATOM 0 HB VAL A 49 1.267 7.018 6.057 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.095 8.621 6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.442 7.032 7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.227 7.508 5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.749 8.800 4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.802 7.669 3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.055 7.351 3.622 1.00 0.00 H new ATOM 729 N ALA A 50 2.509 4.213 7.158 1.00 0.00 N ATOM 730 CA ALA A 50 3.162 3.346 8.132 1.00 0.00 C ATOM 731 C ALA A 50 3.725 2.099 7.442 1.00 0.00 C ATOM 732 O ALA A 50 4.630 1.445 7.957 1.00 0.00 O ATOM 733 CB ALA A 50 2.194 2.959 9.240 1.00 0.00 C ATOM 0 H ALA A 50 1.504 4.326 7.289 1.00 0.00 H new ATOM 0 HA ALA A 50 3.990 3.893 8.582 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.701 2.312 9.956 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.844 3.858 9.747 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.343 2.429 8.811 1.00 0.00 H new ATOM 739 N ALA A 51 3.185 1.783 6.267 1.00 0.00 N ATOM 740 CA ALA A 51 3.651 0.647 5.480 1.00 0.00 C ATOM 741 C ALA A 51 4.897 1.001 4.691 1.00 0.00 C ATOM 742 O ALA A 51 5.856 0.239 4.672 1.00 0.00 O ATOM 743 CB ALA A 51 2.572 0.168 4.522 1.00 0.00 C ATOM 0 H ALA A 51 2.419 2.303 5.838 1.00 0.00 H new ATOM 0 HA ALA A 51 3.889 -0.153 6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.946 -0.680 3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.692 -0.137 5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.304 0.977 3.842 1.00 0.00 H new ATOM 749 N GLU A 52 4.884 2.156 4.043 1.00 0.00 N ATOM 750 CA GLU A 52 5.989 2.548 3.188 1.00 0.00 C ATOM 751 C GLU A 52 7.281 2.608 3.998 1.00 0.00 C ATOM 752 O GLU A 52 8.295 2.007 3.636 1.00 0.00 O ATOM 753 CB GLU A 52 5.706 3.900 2.515 1.00 0.00 C ATOM 754 CG GLU A 52 5.484 5.045 3.486 1.00 0.00 C ATOM 755 CD GLU A 52 5.522 6.400 2.824 1.00 0.00 C ATOM 756 OE1 GLU A 52 6.636 6.922 2.614 1.00 0.00 O ATOM 757 OE2 GLU A 52 4.448 6.941 2.514 1.00 0.00 O ATOM 0 H GLU A 52 4.124 2.834 4.094 1.00 0.00 H new ATOM 0 HA GLU A 52 6.103 1.801 2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.542 4.150 1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.825 3.800 1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.520 4.915 3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.246 5.006 4.264 1.00 0.00 H new ATOM 764 N GLU A 53 7.209 3.283 5.129 1.00 0.00 N ATOM 765 CA GLU A 53 8.373 3.530 5.953 1.00 0.00 C ATOM 766 C GLU A 53 8.984 2.227 6.476 1.00 0.00 C ATOM 767 O GLU A 53 10.197 2.134 6.662 1.00 0.00 O ATOM 768 CB GLU A 53 7.996 4.431 7.121 1.00 0.00 C ATOM 769 CG GLU A 53 7.143 3.739 8.174 1.00 0.00 C ATOM 770 CD GLU A 53 7.176 4.440 9.513 1.00 0.00 C ATOM 771 OE1 GLU A 53 6.630 5.552 9.628 1.00 0.00 O ATOM 772 OE2 GLU A 53 7.756 3.873 10.464 1.00 0.00 O ATOM 0 H GLU A 53 6.343 3.674 5.501 1.00 0.00 H new ATOM 0 HA GLU A 53 9.122 4.023 5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.907 4.803 7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.456 5.298 6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.113 3.687 7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.490 2.713 8.298 1.00 0.00 H new ATOM 779 N ARG A 54 8.147 1.212 6.685 1.00 0.00 N ATOM 780 CA ARG A 54 8.614 -0.043 7.265 1.00 0.00 C ATOM 781 C ARG A 54 9.320 -0.888 6.205 1.00 0.00 C ATOM 782 O ARG A 54 9.881 -1.946 6.499 1.00 0.00 O ATOM 783 CB ARG A 54 7.447 -0.805 7.920 1.00 0.00 C ATOM 784 CG ARG A 54 6.513 -1.503 6.949 1.00 0.00 C ATOM 785 CD ARG A 54 5.196 -1.890 7.613 1.00 0.00 C ATOM 786 NE ARG A 54 5.380 -2.426 8.966 1.00 0.00 N ATOM 787 CZ ARG A 54 4.659 -3.427 9.487 1.00 0.00 C ATOM 788 NH1 ARG A 54 3.748 -4.056 8.753 1.00 0.00 N ATOM 789 NH2 ARG A 54 4.865 -3.802 10.744 1.00 0.00 N ATOM 0 H ARG A 54 7.152 1.234 6.463 1.00 0.00 H new ATOM 0 HA ARG A 54 9.339 0.178 8.048 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.856 -1.548 8.605 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.866 -0.104 8.520 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.314 -0.848 6.101 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.998 -2.396 6.555 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.546 -1.016 7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.688 -2.633 6.998 1.00 0.00 H new ATOM 0 HE ARG A 54 6.105 -2.008 9.549 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.593 -3.778 7.784 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.204 -4.817 9.158 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.570 -3.328 11.309 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.318 -4.564 11.145 1.00 0.00 H new ATOM 803 N PHE A 55 9.293 -0.403 4.968 1.00 0.00 N ATOM 804 CA PHE A 55 10.013 -1.034 3.873 1.00 0.00 C ATOM 805 C PHE A 55 11.128 -0.115 3.370 1.00 0.00 C ATOM 806 O PHE A 55 11.571 -0.224 2.226 1.00 0.00 O ATOM 807 CB PHE A 55 9.054 -1.401 2.738 1.00 0.00 C ATOM 808 CG PHE A 55 8.082 -2.487 3.111 1.00 0.00 C ATOM 809 CD1 PHE A 55 8.524 -3.780 3.334 1.00 0.00 C ATOM 810 CD2 PHE A 55 6.732 -2.214 3.248 1.00 0.00 C ATOM 811 CE1 PHE A 55 7.638 -4.781 3.686 1.00 0.00 C ATOM 812 CE2 PHE A 55 5.840 -3.210 3.600 1.00 0.00 C ATOM 813 CZ PHE A 55 6.294 -4.495 3.819 1.00 0.00 C ATOM 0 H PHE A 55 8.774 0.433 4.700 1.00 0.00 H new ATOM 0 HA PHE A 55 10.468 -1.954 4.241 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.498 -0.512 2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.633 -1.722 1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.574 -4.009 3.232 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.371 -1.210 3.078 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.997 -5.785 3.857 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.789 -2.983 3.703 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.599 -5.275 4.094 1.00 0.00 H new ATOM 823 N ASP A 56 11.550 0.807 4.245 1.00 0.00 N ATOM 824 CA ASP A 56 12.736 1.651 4.021 1.00 0.00 C ATOM 825 C ASP A 56 12.506 2.708 2.944 1.00 0.00 C ATOM 826 O ASP A 56 13.462 3.288 2.425 1.00 0.00 O ATOM 827 CB ASP A 56 13.959 0.803 3.635 1.00 0.00 C ATOM 828 CG ASP A 56 14.385 -0.171 4.715 1.00 0.00 C ATOM 829 OD1 ASP A 56 13.856 -1.299 4.741 1.00 0.00 O ATOM 830 OD2 ASP A 56 15.270 0.173 5.527 1.00 0.00 O ATOM 0 H ASP A 56 11.079 0.991 5.131 1.00 0.00 H new ATOM 0 HA ASP A 56 12.925 2.159 4.967 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.733 0.248 2.725 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.793 1.466 3.405 1.00 0.00 H new ATOM 835 N VAL A 57 11.257 2.983 2.616 1.00 0.00 N ATOM 836 CA VAL A 57 10.957 3.943 1.566 1.00 0.00 C ATOM 837 C VAL A 57 10.248 5.160 2.145 1.00 0.00 C ATOM 838 O VAL A 57 9.690 5.099 3.242 1.00 0.00 O ATOM 839 CB VAL A 57 10.071 3.312 0.466 1.00 0.00 C ATOM 840 CG1 VAL A 57 8.660 3.118 0.977 1.00 0.00 C ATOM 841 CG2 VAL A 57 10.066 4.155 -0.801 1.00 0.00 C ATOM 0 H VAL A 57 10.440 2.560 3.056 1.00 0.00 H new ATOM 0 HA VAL A 57 11.904 4.249 1.121 1.00 0.00 H new ATOM 0 HB VAL A 57 10.494 2.340 0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.047 2.673 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.675 2.458 1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.240 4.083 1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.433 3.681 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.679 5.149 -0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.082 4.240 -1.185 1.00 0.00 H new ATOM 851 N LYS A 58 10.316 6.266 1.424 1.00 0.00 N ATOM 852 CA LYS A 58 9.525 7.439 1.738 1.00 0.00 C ATOM 853 C LYS A 58 8.894 7.978 0.466 1.00 0.00 C ATOM 854 O LYS A 58 9.592 8.487 -0.415 1.00 0.00 O ATOM 855 CB LYS A 58 10.382 8.527 2.389 1.00 0.00 C ATOM 856 CG LYS A 58 10.831 8.202 3.805 1.00 0.00 C ATOM 857 CD LYS A 58 11.668 9.327 4.390 1.00 0.00 C ATOM 858 CE LYS A 58 10.898 10.641 4.417 1.00 0.00 C ATOM 859 NZ LYS A 58 11.761 11.786 4.804 1.00 0.00 N ATOM 0 H LYS A 58 10.919 6.374 0.608 1.00 0.00 H new ATOM 0 HA LYS A 58 8.748 7.150 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.263 8.698 1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.817 9.459 2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.958 8.029 4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.410 7.278 3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.976 9.064 5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.577 9.449 3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.467 10.828 3.434 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.068 10.560 5.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.197 12.660 4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.152 11.620 5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.539 11.881 4.121 1.00 0.00 H new ATOM 873 N ILE A 59 7.584 7.862 0.367 1.00 0.00 N ATOM 874 CA ILE A 59 6.862 8.361 -0.785 1.00 0.00 C ATOM 875 C ILE A 59 6.063 9.597 -0.386 1.00 0.00 C ATOM 876 O ILE A 59 5.900 9.878 0.801 1.00 0.00 O ATOM 877 CB ILE A 59 5.924 7.290 -1.409 1.00 0.00 C ATOM 878 CG1 ILE A 59 4.796 6.902 -0.455 1.00 0.00 C ATOM 879 CG2 ILE A 59 6.708 6.047 -1.816 1.00 0.00 C ATOM 880 CD1 ILE A 59 3.890 5.823 -1.008 1.00 0.00 C ATOM 0 H ILE A 59 6.996 7.424 1.076 1.00 0.00 H new ATOM 0 HA ILE A 59 7.595 8.621 -1.549 1.00 0.00 H new ATOM 0 HB ILE A 59 5.480 7.736 -2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.227 6.558 0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.200 7.786 -0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.028 5.314 -2.250 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.465 6.319 -2.551 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.192 5.619 -0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.111 5.594 -0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.432 6.172 -1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.474 4.925 -1.208 1.00 0.00 H new ATOM 892 N PRO A 60 5.609 10.391 -1.358 1.00 0.00 N ATOM 893 CA PRO A 60 4.775 11.558 -1.077 1.00 0.00 C ATOM 894 C PRO A 60 3.424 11.156 -0.492 1.00 0.00 C ATOM 895 O PRO A 60 2.738 10.296 -1.045 1.00 0.00 O ATOM 896 CB PRO A 60 4.588 12.213 -2.449 1.00 0.00 C ATOM 897 CG PRO A 60 5.654 11.626 -3.314 1.00 0.00 C ATOM 898 CD PRO A 60 5.883 10.240 -2.793 1.00 0.00 C ATOM 0 HA PRO A 60 5.231 12.220 -0.341 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.596 12.006 -2.852 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.686 13.297 -2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.343 11.605 -4.358 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.568 12.218 -3.265 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.216 9.516 -3.260 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.902 9.900 -2.978 1.00 0.00 H new ATOM 906 N ASP A 61 3.053 11.780 0.623 1.00 0.00 N ATOM 907 CA ASP A 61 1.773 11.519 1.284 1.00 0.00 C ATOM 908 C ASP A 61 0.632 11.642 0.281 1.00 0.00 C ATOM 909 O ASP A 61 -0.219 10.757 0.156 1.00 0.00 O ATOM 910 CB ASP A 61 1.538 12.533 2.414 1.00 0.00 C ATOM 911 CG ASP A 61 2.796 12.885 3.184 1.00 0.00 C ATOM 912 OD1 ASP A 61 3.665 13.583 2.615 1.00 0.00 O ATOM 913 OD2 ASP A 61 2.908 12.502 4.366 1.00 0.00 O ATOM 0 H ASP A 61 3.628 12.479 1.094 1.00 0.00 H new ATOM 0 HA ASP A 61 1.803 10.510 1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.114 13.444 1.991 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.799 12.129 3.106 1.00 0.00 H new ATOM 918 N ASP A 62 0.655 12.746 -0.454 1.00 0.00 N ATOM 919 CA ASP A 62 -0.390 13.067 -1.418 1.00 0.00 C ATOM 920 C ASP A 62 -0.365 12.104 -2.604 1.00 0.00 C ATOM 921 O ASP A 62 -1.356 11.956 -3.316 1.00 0.00 O ATOM 922 CB ASP A 62 -0.212 14.513 -1.895 1.00 0.00 C ATOM 923 CG ASP A 62 -1.259 14.946 -2.903 1.00 0.00 C ATOM 924 OD1 ASP A 62 -2.460 14.949 -2.560 1.00 0.00 O ATOM 925 OD2 ASP A 62 -0.877 15.325 -4.029 1.00 0.00 O ATOM 0 H ASP A 62 1.397 13.443 -0.399 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.360 12.961 -0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.250 15.180 -1.033 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.777 14.622 -2.339 1.00 0.00 H new ATOM 930 N ASP A 63 0.763 11.432 -2.800 1.00 0.00 N ATOM 931 CA ASP A 63 0.909 10.516 -3.923 1.00 0.00 C ATOM 932 C ASP A 63 0.114 9.243 -3.660 1.00 0.00 C ATOM 933 O ASP A 63 -0.508 8.700 -4.571 1.00 0.00 O ATOM 934 CB ASP A 63 2.381 10.180 -4.163 1.00 0.00 C ATOM 935 CG ASP A 63 2.714 9.989 -5.631 1.00 0.00 C ATOM 936 OD1 ASP A 63 1.940 9.327 -6.349 1.00 0.00 O ATOM 937 OD2 ASP A 63 3.762 10.510 -6.073 1.00 0.00 O ATOM 0 H ASP A 63 1.585 11.504 -2.200 1.00 0.00 H new ATOM 0 HA ASP A 63 0.521 11.001 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.001 10.979 -3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.634 9.271 -3.617 1.00 0.00 H new ATOM 942 N VAL A 64 0.112 8.783 -2.403 1.00 0.00 N ATOM 943 CA VAL A 64 -0.701 7.625 -2.024 1.00 0.00 C ATOM 944 C VAL A 64 -2.165 7.939 -2.294 1.00 0.00 C ATOM 945 O VAL A 64 -2.907 7.124 -2.825 1.00 0.00 O ATOM 946 CB VAL A 64 -0.533 7.234 -0.534 1.00 0.00 C ATOM 947 CG1 VAL A 64 -1.252 5.923 -0.242 1.00 0.00 C ATOM 948 CG2 VAL A 64 0.938 7.133 -0.150 1.00 0.00 C ATOM 0 H VAL A 64 0.656 9.189 -1.642 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.361 6.779 -2.621 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.983 8.022 0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.123 5.664 0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.314 6.034 -0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.834 5.132 -0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.022 6.857 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.423 6.374 -0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.423 8.095 -0.312 1.00 0.00 H new ATOM 958 N LYS A 65 -2.550 9.149 -1.935 1.00 0.00 N ATOM 959 CA LYS A 65 -3.872 9.670 -2.232 1.00 0.00 C ATOM 960 C LYS A 65 -4.143 9.711 -3.746 1.00 0.00 C ATOM 961 O LYS A 65 -5.283 9.542 -4.188 1.00 0.00 O ATOM 962 CB LYS A 65 -3.997 11.065 -1.600 1.00 0.00 C ATOM 963 CG LYS A 65 -5.129 11.913 -2.149 1.00 0.00 C ATOM 964 CD LYS A 65 -6.460 11.191 -2.088 1.00 0.00 C ATOM 965 CE LYS A 65 -7.524 11.946 -2.865 1.00 0.00 C ATOM 966 NZ LYS A 65 -7.138 12.138 -4.289 1.00 0.00 N ATOM 0 H LYS A 65 -1.953 9.801 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.625 9.006 -1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.136 10.950 -0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.058 11.600 -1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.194 12.842 -1.582 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.911 12.184 -3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.352 10.186 -2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.772 11.082 -1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.466 11.401 -2.814 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.693 12.917 -2.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.986 12.085 -4.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.690 13.069 -4.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.468 11.394 -4.570 1.00 0.00 H new ATOM 980 N ASN A 66 -3.104 9.911 -4.538 1.00 0.00 N ATOM 981 CA ASN A 66 -3.273 10.068 -5.979 1.00 0.00 C ATOM 982 C ASN A 66 -3.451 8.718 -6.665 1.00 0.00 C ATOM 983 O ASN A 66 -4.084 8.628 -7.720 1.00 0.00 O ATOM 984 CB ASN A 66 -2.077 10.817 -6.579 1.00 0.00 C ATOM 985 CG ASN A 66 -2.294 11.196 -8.034 1.00 0.00 C ATOM 986 OD1 ASN A 66 -2.878 12.238 -8.334 1.00 0.00 O ATOM 987 ND2 ASN A 66 -1.814 10.367 -8.951 1.00 0.00 N ATOM 0 H ASN A 66 -2.139 9.969 -4.214 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.177 10.653 -6.149 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.889 11.719 -5.997 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.186 10.194 -6.499 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.923 10.584 -9.942 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.336 9.513 -8.666 1.00 0.00 H new ATOM 994 N LEU A 67 -2.905 7.668 -6.066 1.00 0.00 N ATOM 995 CA LEU A 67 -2.993 6.343 -6.659 1.00 0.00 C ATOM 996 C LEU A 67 -4.311 5.668 -6.310 1.00 0.00 C ATOM 997 O LEU A 67 -4.783 5.723 -5.177 1.00 0.00 O ATOM 998 CB LEU A 67 -1.786 5.476 -6.269 1.00 0.00 C ATOM 999 CG LEU A 67 -1.423 5.443 -4.781 1.00 0.00 C ATOM 1000 CD1 LEU A 67 -1.875 4.146 -4.129 1.00 0.00 C ATOM 1001 CD2 LEU A 67 0.077 5.616 -4.607 1.00 0.00 C ATOM 0 H LEU A 67 -2.402 7.708 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.968 6.461 -7.742 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.979 4.454 -6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.918 5.830 -6.825 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.942 6.266 -4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.602 4.155 -3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.957 4.049 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.391 3.303 -4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.325 5.591 -3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.598 4.808 -5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.384 6.573 -5.029 1.00 0.00 H new ATOM 1013 N LYS A 68 -4.905 5.042 -7.316 1.00 0.00 N ATOM 1014 CA LYS A 68 -6.238 4.473 -7.194 1.00 0.00 C ATOM 1015 C LYS A 68 -6.204 3.035 -6.703 1.00 0.00 C ATOM 1016 O LYS A 68 -7.188 2.550 -6.164 1.00 0.00 O ATOM 1017 CB LYS A 68 -6.953 4.521 -8.545 1.00 0.00 C ATOM 1018 CG LYS A 68 -7.320 5.920 -9.014 1.00 0.00 C ATOM 1019 CD LYS A 68 -8.408 6.522 -8.144 1.00 0.00 C ATOM 1020 CE LYS A 68 -8.981 7.787 -8.761 1.00 0.00 C ATOM 1021 NZ LYS A 68 -10.168 8.276 -8.011 1.00 0.00 N ATOM 0 H LYS A 68 -4.479 4.915 -8.234 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.776 5.071 -6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.315 4.055 -9.296 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.862 3.922 -8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.437 6.558 -8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.658 5.882 -10.050 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.205 5.793 -8.001 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.003 6.749 -7.158 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.216 8.563 -8.777 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.260 7.593 -9.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.531 9.140 -8.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.908 7.545 -8.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.896 8.485 -7.029 1.00 0.00 H new ATOM 1035 N THR A 69 -5.086 2.351 -6.891 1.00 0.00 N ATOM 1036 CA THR A 69 -5.010 0.933 -6.573 1.00 0.00 C ATOM 1037 C THR A 69 -3.940 0.669 -5.527 1.00 0.00 C ATOM 1038 O THR A 69 -3.010 1.460 -5.371 1.00 0.00 O ATOM 1039 CB THR A 69 -4.689 0.097 -7.830 1.00 0.00 C ATOM 1040 OG1 THR A 69 -3.347 0.350 -8.259 1.00 0.00 O ATOM 1041 CG2 THR A 69 -5.647 0.435 -8.957 1.00 0.00 C ATOM 0 H THR A 69 -4.223 2.751 -7.260 1.00 0.00 H new ATOM 0 HA THR A 69 -5.984 0.640 -6.183 1.00 0.00 H new ATOM 0 HB THR A 69 -4.799 -0.957 -7.575 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.964 -0.469 -8.636 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.404 -0.165 -9.834 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.668 0.221 -8.643 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.558 1.493 -9.205 1.00 0.00 H new ATOM 1049 N VAL A 70 -4.066 -0.444 -4.810 1.00 0.00 N ATOM 1050 CA VAL A 70 -3.025 -0.846 -3.881 1.00 0.00 C ATOM 1051 C VAL A 70 -1.778 -1.235 -4.662 1.00 0.00 C ATOM 1052 O VAL A 70 -0.659 -0.919 -4.267 1.00 0.00 O ATOM 1053 CB VAL A 70 -3.479 -2.010 -2.960 1.00 0.00 C ATOM 1054 CG1 VAL A 70 -4.280 -3.033 -3.737 1.00 0.00 C ATOM 1055 CG2 VAL A 70 -2.286 -2.677 -2.282 1.00 0.00 C ATOM 0 H VAL A 70 -4.868 -1.073 -4.855 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.804 0.001 -3.231 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.117 -1.585 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.586 -3.838 -3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.164 -2.557 -4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.667 -3.441 -4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.637 -3.488 -1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.613 -3.077 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.754 -1.943 -1.677 1.00 0.00 H new ATOM 1065 N GLY A 71 -1.996 -1.866 -5.808 1.00 0.00 N ATOM 1066 CA GLY A 71 -0.901 -2.312 -6.641 1.00 0.00 C ATOM 1067 C GLY A 71 0.006 -1.180 -7.085 1.00 0.00 C ATOM 1068 O GLY A 71 1.230 -1.328 -7.086 1.00 0.00 O ATOM 0 H GLY A 71 -2.923 -2.078 -6.177 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.312 -3.048 -6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.303 -2.815 -7.521 1.00 0.00 H new ATOM 1072 N ASP A 72 -0.596 -0.050 -7.454 1.00 0.00 N ATOM 1073 CA ASP A 72 0.155 1.112 -7.922 1.00 0.00 C ATOM 1074 C ASP A 72 1.098 1.611 -6.833 1.00 0.00 C ATOM 1075 O ASP A 72 2.291 1.789 -7.076 1.00 0.00 O ATOM 1076 CB ASP A 72 -0.799 2.234 -8.347 1.00 0.00 C ATOM 1077 CG ASP A 72 -0.117 3.290 -9.197 1.00 0.00 C ATOM 1078 OD1 ASP A 72 0.129 3.023 -10.395 1.00 0.00 O ATOM 1079 OD2 ASP A 72 0.162 4.391 -8.684 1.00 0.00 O ATOM 0 H ASP A 72 -1.607 0.085 -7.437 1.00 0.00 H new ATOM 0 HA ASP A 72 0.746 0.811 -8.787 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.632 1.806 -8.905 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.219 2.704 -7.458 1.00 0.00 H new ATOM 1084 N ALA A 73 0.554 1.812 -5.631 1.00 0.00 N ATOM 1085 CA ALA A 73 1.355 2.210 -4.472 1.00 0.00 C ATOM 1086 C ALA A 73 2.486 1.246 -4.244 1.00 0.00 C ATOM 1087 O ALA A 73 3.637 1.634 -4.081 1.00 0.00 O ATOM 1088 CB ALA A 73 0.520 2.216 -3.214 1.00 0.00 C ATOM 0 H ALA A 73 -0.441 1.705 -5.435 1.00 0.00 H new ATOM 0 HA ALA A 73 1.737 3.209 -4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.139 2.515 -2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.304 2.920 -3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.122 1.217 -3.037 1.00 0.00 H new ATOM 1094 N THR A 74 2.127 -0.017 -4.218 1.00 0.00 N ATOM 1095 CA THR A 74 3.055 -1.063 -3.890 1.00 0.00 C ATOM 1096 C THR A 74 4.232 -1.064 -4.862 1.00 0.00 C ATOM 1097 O THR A 74 5.383 -1.051 -4.438 1.00 0.00 O ATOM 1098 CB THR A 74 2.349 -2.425 -3.899 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.125 -2.347 -3.163 1.00 0.00 O ATOM 1100 CG2 THR A 74 3.221 -3.462 -3.255 1.00 0.00 C ATOM 0 H THR A 74 1.183 -0.343 -4.424 1.00 0.00 H new ATOM 0 HA THR A 74 3.441 -0.879 -2.887 1.00 0.00 H new ATOM 0 HB THR A 74 2.146 -2.699 -4.934 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.387 -2.146 -3.776 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.710 -4.425 -3.267 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.159 -3.542 -3.805 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.429 -3.174 -2.224 1.00 0.00 H new ATOM 1108 N LYS A 75 3.938 -1.031 -6.160 1.00 0.00 N ATOM 1109 CA LYS A 75 4.985 -1.028 -7.182 1.00 0.00 C ATOM 1110 C LYS A 75 5.789 0.271 -7.096 1.00 0.00 C ATOM 1111 O LYS A 75 7.012 0.274 -7.252 1.00 0.00 O ATOM 1112 CB LYS A 75 4.372 -1.180 -8.579 1.00 0.00 C ATOM 1113 CG LYS A 75 5.194 -2.050 -9.521 1.00 0.00 C ATOM 1114 CD LYS A 75 5.114 -3.524 -9.133 1.00 0.00 C ATOM 1115 CE LYS A 75 5.856 -4.412 -10.120 1.00 0.00 C ATOM 1116 NZ LYS A 75 5.411 -4.195 -11.522 1.00 0.00 N ATOM 0 H LYS A 75 2.987 -1.006 -6.529 1.00 0.00 H new ATOM 0 HA LYS A 75 5.651 -1.872 -7.005 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.374 -1.608 -8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.254 -0.192 -9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.836 -1.921 -10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.234 -1.724 -9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.533 -3.660 -8.136 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.069 -3.830 -9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.926 -4.217 -10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.703 -5.457 -9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.405 -5.103 -12.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.453 -3.791 -11.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.064 -3.539 -11.996 1.00 0.00 H new ATOM 1130 N TYR A 76 5.079 1.365 -6.832 1.00 0.00 N ATOM 1131 CA TYR A 76 5.686 2.677 -6.620 1.00 0.00 C ATOM 1132 C TYR A 76 6.702 2.609 -5.475 1.00 0.00 C ATOM 1133 O TYR A 76 7.803 3.154 -5.569 1.00 0.00 O ATOM 1134 CB TYR A 76 4.569 3.681 -6.305 1.00 0.00 C ATOM 1135 CG TYR A 76 4.989 5.127 -6.209 1.00 0.00 C ATOM 1136 CD1 TYR A 76 5.019 5.934 -7.338 1.00 0.00 C ATOM 1137 CD2 TYR A 76 5.311 5.697 -4.985 1.00 0.00 C ATOM 1138 CE1 TYR A 76 5.368 7.267 -7.251 1.00 0.00 C ATOM 1139 CE2 TYR A 76 5.652 7.031 -4.889 1.00 0.00 C ATOM 1140 CZ TYR A 76 5.681 7.811 -6.024 1.00 0.00 C ATOM 1141 OH TYR A 76 6.001 9.144 -5.926 1.00 0.00 O ATOM 0 H TYR A 76 4.062 1.367 -6.759 1.00 0.00 H new ATOM 0 HA TYR A 76 6.219 2.997 -7.516 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.803 3.596 -7.076 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.105 3.394 -5.361 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.765 5.513 -8.300 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.294 5.087 -4.094 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.396 7.880 -8.140 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.895 7.461 -3.929 1.00 0.00 H new ATOM 0 HH TYR A 76 5.231 9.686 -6.199 1.00 0.00 H new ATOM 1151 N ILE A 77 6.318 1.925 -4.405 1.00 0.00 N ATOM 1152 CA ILE A 77 7.205 1.684 -3.272 1.00 0.00 C ATOM 1153 C ILE A 77 8.376 0.802 -3.688 1.00 0.00 C ATOM 1154 O ILE A 77 9.537 1.129 -3.446 1.00 0.00 O ATOM 1155 CB ILE A 77 6.449 0.987 -2.114 1.00 0.00 C ATOM 1156 CG1 ILE A 77 5.449 1.945 -1.470 1.00 0.00 C ATOM 1157 CG2 ILE A 77 7.420 0.447 -1.071 1.00 0.00 C ATOM 1158 CD1 ILE A 77 4.513 1.275 -0.485 1.00 0.00 C ATOM 0 H ILE A 77 5.387 1.523 -4.297 1.00 0.00 H new ATOM 0 HA ILE A 77 7.573 2.653 -2.933 1.00 0.00 H new ATOM 0 HB ILE A 77 5.900 0.143 -2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.996 2.737 -0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.859 2.421 -2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.861 -0.037 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.088 -0.277 -1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.006 1.269 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.832 2.017 -0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.939 0.502 -0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.094 0.823 0.319 1.00 0.00 H new ATOM 1170 N LEU A 78 8.040 -0.300 -4.340 1.00 0.00 N ATOM 1171 CA LEU A 78 8.987 -1.360 -4.661 1.00 0.00 C ATOM 1172 C LEU A 78 10.217 -0.860 -5.416 1.00 0.00 C ATOM 1173 O LEU A 78 11.344 -1.233 -5.088 1.00 0.00 O ATOM 1174 CB LEU A 78 8.275 -2.446 -5.465 1.00 0.00 C ATOM 1175 CG LEU A 78 7.209 -3.221 -4.685 1.00 0.00 C ATOM 1176 CD1 LEU A 78 6.516 -4.229 -5.593 1.00 0.00 C ATOM 1177 CD2 LEU A 78 7.856 -3.920 -3.502 1.00 0.00 C ATOM 0 H LEU A 78 7.092 -0.487 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 78 9.353 -1.765 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.807 -1.987 -6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.019 -3.151 -5.837 1.00 0.00 H new ATOM 0 HG LEU A 78 6.455 -2.525 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.761 -4.772 -5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.039 -3.705 -6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.251 -4.932 -5.984 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.098 -4.472 -2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.618 -4.612 -3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.317 -3.179 -2.849 1.00 0.00 H new ATOM 1189 N ASP A 79 10.010 -0.018 -6.413 1.00 0.00 N ATOM 1190 CA ASP A 79 11.118 0.452 -7.241 1.00 0.00 C ATOM 1191 C ASP A 79 11.804 1.678 -6.650 1.00 0.00 C ATOM 1192 O ASP A 79 12.794 2.161 -7.190 1.00 0.00 O ATOM 1193 CB ASP A 79 10.652 0.745 -8.670 1.00 0.00 C ATOM 1194 CG ASP A 79 10.536 -0.513 -9.507 1.00 0.00 C ATOM 1195 OD1 ASP A 79 11.300 -1.469 -9.258 1.00 0.00 O ATOM 1196 OD2 ASP A 79 9.690 -0.549 -10.427 1.00 0.00 O ATOM 0 H ASP A 79 9.096 0.354 -6.671 1.00 0.00 H new ATOM 0 HA ASP A 79 11.851 -0.354 -7.267 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.686 1.248 -8.639 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.353 1.431 -9.145 1.00 0.00 H new ATOM 1201 N HIS A 80 11.284 2.189 -5.546 1.00 0.00 N ATOM 1202 CA HIS A 80 11.834 3.403 -4.952 1.00 0.00 C ATOM 1203 C HIS A 80 12.220 3.179 -3.497 1.00 0.00 C ATOM 1204 O HIS A 80 12.456 4.138 -2.762 1.00 0.00 O ATOM 1205 CB HIS A 80 10.816 4.547 -5.036 1.00 0.00 C ATOM 1206 CG HIS A 80 10.576 5.051 -6.425 1.00 0.00 C ATOM 1207 ND1 HIS A 80 10.910 6.323 -6.839 1.00 0.00 N ATOM 1208 CD2 HIS A 80 10.006 4.452 -7.494 1.00 0.00 C ATOM 1209 CE1 HIS A 80 10.572 6.472 -8.105 1.00 0.00 C ATOM 1210 NE2 HIS A 80 10.019 5.351 -8.526 1.00 0.00 N ATOM 0 H HIS A 80 10.490 1.790 -5.045 1.00 0.00 H new ATOM 0 HA HIS A 80 12.729 3.668 -5.514 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.869 4.208 -4.615 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.163 5.374 -4.416 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.612 3.447 -7.528 1.00 0.00 H new ATOM 0 HE1 HIS A 80 10.723 7.362 -8.697 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.660 5.182 -9.466 1.00 0.00 H new ATOM 1219 N GLN A 81 12.308 1.919 -3.087 1.00 0.00 N ATOM 1220 CA GLN A 81 12.525 1.594 -1.682 1.00 0.00 C ATOM 1221 C GLN A 81 14.016 1.592 -1.330 1.00 0.00 C ATOM 1222 O GLN A 81 14.865 1.372 -2.198 1.00 0.00 O ATOM 1223 CB GLN A 81 11.909 0.230 -1.351 1.00 0.00 C ATOM 1224 CG GLN A 81 12.699 -0.951 -1.890 1.00 0.00 C ATOM 1225 CD GLN A 81 12.003 -2.274 -1.658 1.00 0.00 C ATOM 1226 OE1 GLN A 81 12.128 -2.872 -0.596 1.00 0.00 O ATOM 1227 NE2 GLN A 81 11.290 -2.755 -2.661 1.00 0.00 N ATOM 0 H GLN A 81 12.233 1.110 -3.703 1.00 0.00 H new ATOM 0 HA GLN A 81 12.038 2.365 -1.085 1.00 0.00 H new ATOM 0 HB2 GLN A 81 11.824 0.134 -0.269 1.00 0.00 H new ATOM 0 HB3 GLN A 81 10.897 0.192 -1.755 1.00 0.00 H new ATOM 0 HG2 GLN A 81 12.864 -0.815 -2.959 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.680 -0.973 -1.416 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.210 -2.226 -3.530 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.819 -3.655 -2.567 1.00 0.00 H new ATOM 1236 N ALA A 82 14.308 1.845 -0.053 1.00 0.00 N ATOM 1237 CA ALA A 82 15.671 1.808 0.487 1.00 0.00 C ATOM 1238 C ALA A 82 16.618 2.726 -0.282 1.00 0.00 C ATOM 1239 O ALA A 82 16.421 3.960 -0.238 1.00 0.00 O ATOM 1240 CB ALA A 82 16.203 0.379 0.498 1.00 0.00 C ATOM 1241 OXT ALA A 82 17.568 2.215 -0.915 1.00 0.00 O ATOM 0 H ALA A 82 13.601 2.083 0.642 1.00 0.00 H new ATOM 0 HA ALA A 82 15.624 2.176 1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 82 17.215 0.371 0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.560 -0.244 1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.215 -0.013 -0.519 1.00 0.00 H new TER 1247 ALA A 82