USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 13 ASN : amide:sc= -0.215 K(o=-0.21,f=-1.7!) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc=0.000737 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.6!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc=-0.00327 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0.15 USER MOD Set 4.2: A 21 THR OG1 : rot -70:sc= 0.151 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= -0.0178 (180deg=-0.234) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.415 K(o=-0.41,f=-1.5) USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.062 K(o=-0.062,f=-2) USER MOD Single : A 38 LYS NZ :NH3+ -171:sc=-0.00267 (180deg=-0.115) USER MOD Single : A 43 HIS : no HE2:sc= -1.56 K(o=-1.6,f=-2.6) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.934 K(o=0.93,f=0) USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ -160:sc= -0.0719 (180deg=-0.446) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= 0.0835 K(o=0.083,f=-1.3) USER MOD Single : C 29 GLN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : C 35 ASN : amide:sc= -0.11 K(o=-0.11,f=-2.1) USER MOD Single : C 38 LYS NZ :NH3+ 135:sc= -0.593 (180deg=-2.72!) USER MOD Single : C 43 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-2) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 49 GLN : amide:sc= 0.88 K(o=0.88,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.953 3.014 -1.772 1.00 0.00 N ATOM 2 CA MET A 1 -11.989 2.473 -0.797 1.00 0.00 C ATOM 3 C MET A 1 -12.003 0.958 -0.813 1.00 0.00 C ATOM 4 O MET A 1 -13.057 0.353 -0.649 1.00 0.00 O ATOM 5 CB MET A 1 -12.313 2.948 0.621 1.00 0.00 C ATOM 6 CG MET A 1 -11.354 2.322 1.638 1.00 0.00 C ATOM 7 SD MET A 1 -9.664 2.950 1.571 1.00 0.00 S ATOM 8 CE MET A 1 -9.922 4.412 2.601 1.00 0.00 C ATOM 0 H1 MET A 1 -12.928 4.053 -1.745 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.702 2.686 -2.727 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.910 2.685 -1.533 1.00 0.00 H new ATOM 0 HA MET A 1 -11.002 2.837 -1.084 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.243 4.035 0.670 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.340 2.683 0.872 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.749 2.489 2.640 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.332 1.244 1.480 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.985 4.961 2.695 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.673 5.053 2.141 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.263 4.105 3.590 1.00 0.00 H new ATOM 20 N LEU A 2 -10.838 0.336 -1.001 1.00 0.00 N ATOM 21 CA LEU A 2 -10.702 -1.107 -0.962 1.00 0.00 C ATOM 22 C LEU A 2 -9.560 -1.413 0.003 1.00 0.00 C ATOM 23 O LEU A 2 -8.400 -1.128 -0.291 1.00 0.00 O ATOM 24 CB LEU A 2 -10.457 -1.610 -2.388 1.00 0.00 C ATOM 25 CG LEU A 2 -10.515 -3.137 -2.553 1.00 0.00 C ATOM 26 CD1 LEU A 2 -9.109 -3.709 -2.581 1.00 0.00 C ATOM 27 CD2 LEU A 2 -11.287 -3.873 -1.462 1.00 0.00 C ATOM 0 H LEU A 2 -9.963 0.828 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.596 -1.619 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.197 -1.159 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.479 -1.260 -2.718 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.049 -3.294 -3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.159 -4.792 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.558 -3.279 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.600 -3.468 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -11.272 -4.944 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.823 -3.681 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.318 -3.521 -1.446 1.00 0.00 H new ATOM 39 N ILE A 3 -9.896 -1.994 1.159 1.00 0.00 N ATOM 40 CA ILE A 3 -8.931 -2.334 2.193 1.00 0.00 C ATOM 41 C ILE A 3 -8.405 -3.742 1.955 1.00 0.00 C ATOM 42 O ILE A 3 -9.141 -4.614 1.487 1.00 0.00 O ATOM 43 CB ILE A 3 -9.568 -2.280 3.591 1.00 0.00 C ATOM 44 CG1 ILE A 3 -9.978 -0.856 3.978 1.00 0.00 C ATOM 45 CG2 ILE A 3 -8.537 -2.746 4.624 1.00 0.00 C ATOM 46 CD1 ILE A 3 -11.394 -0.525 3.528 1.00 0.00 C ATOM 0 H ILE A 3 -10.856 -2.241 1.399 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.120 -1.607 2.146 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.452 -2.917 3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.905 -0.740 5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.281 -0.145 3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.979 -2.712 5.620 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.231 -3.767 4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.666 -2.091 4.590 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.641 0.495 3.824 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.461 -0.614 2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.095 -1.218 3.993 1.00 0.00 H new ATOM 58 N LEU A 4 -7.129 -3.951 2.285 1.00 0.00 N ATOM 59 CA LEU A 4 -6.484 -5.250 2.246 1.00 0.00 C ATOM 60 C LEU A 4 -5.555 -5.334 3.459 1.00 0.00 C ATOM 61 O LEU A 4 -5.173 -4.303 4.013 1.00 0.00 O ATOM 62 CB LEU A 4 -5.694 -5.390 0.938 1.00 0.00 C ATOM 63 CG LEU A 4 -6.593 -5.303 -0.304 1.00 0.00 C ATOM 64 CD1 LEU A 4 -5.741 -5.235 -1.564 1.00 0.00 C ATOM 65 CD2 LEU A 4 -7.513 -6.522 -0.409 1.00 0.00 C ATOM 0 H LEU A 4 -6.509 -3.202 2.592 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.215 -6.058 2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.936 -4.608 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.168 -6.345 0.936 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.199 -4.402 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.389 -5.174 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.101 -4.353 -1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.122 -6.129 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.137 -6.431 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.910 -7.428 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.148 -6.576 0.476 1.00 0.00 H new ATOM 77 N THR A 5 -5.191 -6.549 3.875 1.00 0.00 N ATOM 78 CA THR A 5 -4.270 -6.737 4.990 1.00 0.00 C ATOM 79 C THR A 5 -3.055 -7.515 4.528 1.00 0.00 C ATOM 80 O THR A 5 -3.166 -8.419 3.699 1.00 0.00 O ATOM 81 CB THR A 5 -4.934 -7.479 6.154 1.00 0.00 C ATOM 82 OG1 THR A 5 -5.501 -8.688 5.707 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.021 -6.629 6.795 1.00 0.00 C ATOM 0 H THR A 5 -5.523 -7.417 3.453 1.00 0.00 H new ATOM 0 HA THR A 5 -3.971 -5.750 5.342 1.00 0.00 H new ATOM 0 HB THR A 5 -4.162 -7.687 6.895 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.920 -9.152 6.462 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.476 -7.180 7.618 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.584 -5.705 7.174 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.783 -6.392 6.052 1.00 0.00 H new ATOM 91 N ARG A 6 -1.887 -7.165 5.069 1.00 0.00 N ATOM 92 CA ARG A 6 -0.633 -7.814 4.717 1.00 0.00 C ATOM 93 C ARG A 6 0.284 -7.882 5.930 1.00 0.00 C ATOM 94 O ARG A 6 0.423 -6.897 6.655 1.00 0.00 O ATOM 95 CB ARG A 6 0.066 -6.989 3.632 1.00 0.00 C ATOM 96 CG ARG A 6 -0.647 -6.972 2.281 1.00 0.00 C ATOM 97 CD ARG A 6 -0.397 -8.256 1.479 1.00 0.00 C ATOM 98 NE ARG A 6 -1.171 -9.399 1.965 1.00 0.00 N ATOM 99 CZ ARG A 6 -1.314 -10.536 1.283 1.00 0.00 C ATOM 100 NH1 ARG A 6 -0.776 -10.680 0.073 1.00 0.00 N ATOM 101 NH2 ARG A 6 -2.003 -11.543 1.804 1.00 0.00 N ATOM 0 H ARG A 6 -1.789 -6.424 5.763 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.844 -8.823 4.362 1.00 0.00 H new ATOM 0 HB2 ARG A 6 0.169 -5.963 3.985 1.00 0.00 H new ATOM 0 HB3 ARG A 6 1.073 -7.380 3.490 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.718 -6.847 2.439 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.307 -6.112 1.703 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.644 -8.077 0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.664 -8.501 1.519 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.626 -9.322 2.875 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.246 -9.915 -0.344 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.894 -11.556 -0.437 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.425 -11.448 2.728 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.111 -12.412 1.281 1.00 0.00 H new ATOM 115 N LYS A 7 0.904 -9.042 6.151 1.00 0.00 N ATOM 116 CA LYS A 7 1.946 -9.194 7.160 1.00 0.00 C ATOM 117 C LYS A 7 3.226 -8.621 6.554 1.00 0.00 C ATOM 118 O LYS A 7 3.358 -8.609 5.330 1.00 0.00 O ATOM 119 CB LYS A 7 2.132 -10.677 7.508 1.00 0.00 C ATOM 120 CG LYS A 7 2.120 -10.953 9.017 1.00 0.00 C ATOM 121 CD LYS A 7 0.754 -10.664 9.641 1.00 0.00 C ATOM 122 CE LYS A 7 0.736 -11.014 11.132 1.00 0.00 C ATOM 123 NZ LYS A 7 0.939 -12.456 11.361 1.00 0.00 N ATOM 0 H LYS A 7 0.697 -9.898 5.636 1.00 0.00 H new ATOM 0 HA LYS A 7 1.685 -8.673 8.081 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.340 -11.256 7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.076 -11.025 7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.388 -11.994 9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.878 -10.340 9.504 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.508 -9.610 9.510 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.014 -11.238 9.122 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.515 -10.452 11.646 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.216 -10.708 11.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.688 -12.690 12.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.336 -12.999 10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.936 -12.697 11.192 1.00 0.00 H new ATOM 137 N VAL A 8 4.175 -8.144 7.364 1.00 0.00 N ATOM 138 CA VAL A 8 5.399 -7.590 6.783 1.00 0.00 C ATOM 139 C VAL A 8 6.093 -8.639 5.910 1.00 0.00 C ATOM 140 O VAL A 8 6.307 -9.773 6.343 1.00 0.00 O ATOM 141 CB VAL A 8 6.331 -7.011 7.849 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.600 -5.935 8.649 1.00 0.00 C ATOM 143 CG2 VAL A 8 6.863 -8.062 8.819 1.00 0.00 C ATOM 0 H VAL A 8 4.125 -8.129 8.383 1.00 0.00 H new ATOM 0 HA VAL A 8 5.122 -6.752 6.143 1.00 0.00 H new ATOM 0 HB VAL A 8 7.184 -6.592 7.315 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.269 -5.527 9.406 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.281 -5.137 7.979 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.727 -6.372 9.134 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.517 -7.585 9.549 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.028 -8.536 9.335 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.424 -8.816 8.267 1.00 0.00 H new ATOM 153 N GLY A 9 6.439 -8.258 4.679 1.00 0.00 N ATOM 154 CA GLY A 9 7.120 -9.126 3.729 1.00 0.00 C ATOM 155 C GLY A 9 6.220 -9.532 2.558 1.00 0.00 C ATOM 156 O GLY A 9 6.722 -9.994 1.533 1.00 0.00 O ATOM 0 H GLY A 9 6.250 -7.325 4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.004 -8.616 3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.467 -10.022 4.244 1.00 0.00 H new ATOM 160 N GLU A 10 4.899 -9.366 2.693 1.00 0.00 N ATOM 161 CA GLU A 10 3.950 -9.724 1.642 1.00 0.00 C ATOM 162 C GLU A 10 3.798 -8.590 0.616 1.00 0.00 C ATOM 163 O GLU A 10 4.440 -7.549 0.748 1.00 0.00 O ATOM 164 CB GLU A 10 2.602 -10.079 2.274 1.00 0.00 C ATOM 165 CG GLU A 10 2.740 -11.289 3.199 1.00 0.00 C ATOM 166 CD GLU A 10 1.373 -11.796 3.663 1.00 0.00 C ATOM 167 OE1 GLU A 10 0.584 -10.966 4.168 1.00 0.00 O ATOM 168 OE2 GLU A 10 1.131 -13.016 3.509 1.00 0.00 O ATOM 0 H GLU A 10 4.463 -8.981 3.531 1.00 0.00 H new ATOM 0 HA GLU A 10 4.331 -10.592 1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.223 -9.226 2.837 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.874 -10.294 1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.269 -12.088 2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.343 -11.019 4.066 1.00 0.00 H new ATOM 175 N SER A 11 2.951 -8.785 -0.403 1.00 0.00 N ATOM 176 CA SER A 11 2.800 -7.813 -1.482 1.00 0.00 C ATOM 177 C SER A 11 1.348 -7.650 -1.935 1.00 0.00 C ATOM 178 O SER A 11 0.481 -8.451 -1.582 1.00 0.00 O ATOM 179 CB SER A 11 3.660 -8.242 -2.668 1.00 0.00 C ATOM 180 OG SER A 11 5.027 -8.228 -2.318 1.00 0.00 O ATOM 0 H SER A 11 2.360 -9.611 -0.498 1.00 0.00 H new ATOM 0 HA SER A 11 3.125 -6.846 -1.098 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.371 -9.242 -2.991 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.487 -7.573 -3.511 1.00 0.00 H new ATOM 0 HG SER A 11 5.565 -8.507 -3.088 1.00 0.00 H new ATOM 186 N ILE A 12 1.106 -6.599 -2.726 1.00 0.00 N ATOM 187 CA ILE A 12 -0.199 -6.179 -3.232 1.00 0.00 C ATOM 188 C ILE A 12 0.001 -5.672 -4.668 1.00 0.00 C ATOM 189 O ILE A 12 1.135 -5.425 -5.075 1.00 0.00 O ATOM 190 CB ILE A 12 -0.755 -5.080 -2.304 1.00 0.00 C ATOM 191 CG1 ILE A 12 -1.023 -5.595 -0.883 1.00 0.00 C ATOM 192 CG2 ILE A 12 -2.025 -4.425 -2.853 1.00 0.00 C ATOM 193 CD1 ILE A 12 -2.181 -6.592 -0.813 1.00 0.00 C ATOM 0 H ILE A 12 1.858 -5.988 -3.046 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.918 -6.998 -3.246 1.00 0.00 H new ATOM 0 HB ILE A 12 0.029 -4.324 -2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.120 -6.069 -0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.241 -4.749 -0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.370 -3.660 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.810 -3.967 -3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.801 -5.181 -2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.319 -6.918 0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.094 -6.114 -1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.956 -7.455 -1.439 1.00 0.00 H new ATOM 205 N ASN A 13 -1.076 -5.508 -5.447 1.00 0.00 N ATOM 206 CA ASN A 13 -0.982 -5.092 -6.841 1.00 0.00 C ATOM 207 C ASN A 13 -2.061 -4.078 -7.217 1.00 0.00 C ATOM 208 O ASN A 13 -3.139 -4.042 -6.623 1.00 0.00 O ATOM 209 CB ASN A 13 -1.093 -6.322 -7.743 1.00 0.00 C ATOM 210 CG ASN A 13 0.246 -7.020 -7.886 1.00 0.00 C ATOM 211 OD1 ASN A 13 0.490 -8.051 -7.268 1.00 0.00 O ATOM 212 ND2 ASN A 13 1.131 -6.456 -8.701 1.00 0.00 N ATOM 0 H ASN A 13 -2.031 -5.661 -5.124 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.017 -4.605 -6.979 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.825 -7.015 -7.329 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.457 -6.024 -8.726 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.049 -6.881 -8.829 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.892 -5.598 -9.198 1.00 0.00 H new ATOM 219 N ILE A 14 -1.747 -3.254 -8.221 1.00 0.00 N ATOM 220 CA ILE A 14 -2.629 -2.206 -8.721 1.00 0.00 C ATOM 221 C ILE A 14 -2.456 -2.115 -10.236 1.00 0.00 C ATOM 222 O ILE A 14 -1.355 -2.315 -10.755 1.00 0.00 O ATOM 223 CB ILE A 14 -2.280 -0.868 -8.049 1.00 0.00 C ATOM 224 CG1 ILE A 14 -2.368 -0.984 -6.521 1.00 0.00 C ATOM 225 CG2 ILE A 14 -3.229 0.226 -8.553 1.00 0.00 C ATOM 226 CD1 ILE A 14 -1.983 0.323 -5.828 1.00 0.00 C ATOM 0 H ILE A 14 -0.856 -3.301 -8.715 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.668 -2.438 -8.488 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.255 -0.604 -8.310 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.383 -1.261 -6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.711 -1.784 -6.179 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.979 1.173 -8.075 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.127 0.327 -9.633 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.257 -0.043 -8.309 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.059 0.198 -4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.959 0.587 -6.092 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.657 1.117 -6.149 1.00 0.00 H new ATOM 238 N GLY A 15 -3.543 -1.812 -10.948 1.00 0.00 N ATOM 239 CA GLY A 15 -3.514 -1.717 -12.397 1.00 0.00 C ATOM 240 C GLY A 15 -3.002 -3.013 -13.008 1.00 0.00 C ATOM 241 O GLY A 15 -3.333 -4.104 -12.547 1.00 0.00 O ATOM 0 H GLY A 15 -4.457 -1.628 -10.535 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.514 -1.502 -12.773 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.874 -0.888 -12.700 1.00 0.00 H new ATOM 245 N ASP A 16 -2.186 -2.880 -14.054 1.00 0.00 N ATOM 246 CA ASP A 16 -1.554 -4.002 -14.731 1.00 0.00 C ATOM 247 C ASP A 16 -0.054 -3.731 -14.876 1.00 0.00 C ATOM 248 O ASP A 16 0.646 -4.449 -15.589 1.00 0.00 O ATOM 249 CB ASP A 16 -2.216 -4.226 -16.091 1.00 0.00 C ATOM 250 CG ASP A 16 -3.694 -4.580 -15.945 1.00 0.00 C ATOM 251 OD1 ASP A 16 -3.980 -5.773 -15.706 1.00 0.00 O ATOM 252 OD2 ASP A 16 -4.529 -3.656 -16.073 1.00 0.00 O ATOM 0 H ASP A 16 -1.945 -1.975 -14.457 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.681 -4.911 -14.143 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.115 -3.326 -16.698 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.700 -5.027 -16.620 1.00 0.00 H new ATOM 257 N ASP A 17 0.437 -2.688 -14.195 1.00 0.00 N ATOM 258 CA ASP A 17 1.820 -2.248 -14.299 1.00 0.00 C ATOM 259 C ASP A 17 2.370 -1.776 -12.953 1.00 0.00 C ATOM 260 O ASP A 17 3.462 -1.210 -12.913 1.00 0.00 O ATOM 261 CB ASP A 17 1.915 -1.115 -15.322 1.00 0.00 C ATOM 262 CG ASP A 17 1.500 -1.573 -16.719 1.00 0.00 C ATOM 263 OD1 ASP A 17 2.344 -2.201 -17.398 1.00 0.00 O ATOM 264 OD2 ASP A 17 0.342 -1.292 -17.096 1.00 0.00 O ATOM 0 H ASP A 17 -0.124 -2.127 -13.554 1.00 0.00 H new ATOM 0 HA ASP A 17 2.421 -3.098 -14.621 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.279 -0.287 -15.007 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.937 -0.738 -15.352 1.00 0.00 H new ATOM 269 N ILE A 18 1.644 -1.993 -11.842 1.00 0.00 N ATOM 270 CA ILE A 18 2.114 -1.546 -10.537 1.00 0.00 C ATOM 271 C ILE A 18 2.038 -2.680 -9.517 1.00 0.00 C ATOM 272 O ILE A 18 1.136 -3.521 -9.560 1.00 0.00 O ATOM 273 CB ILE A 18 1.312 -0.324 -10.056 1.00 0.00 C ATOM 274 CG1 ILE A 18 1.391 0.851 -11.041 1.00 0.00 C ATOM 275 CG2 ILE A 18 1.862 0.160 -8.711 1.00 0.00 C ATOM 276 CD1 ILE A 18 0.255 0.812 -12.067 1.00 0.00 C ATOM 0 H ILE A 18 0.742 -2.470 -11.830 1.00 0.00 H new ATOM 0 HA ILE A 18 3.158 -1.248 -10.636 1.00 0.00 H new ATOM 0 HB ILE A 18 0.274 -0.644 -9.971 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.350 1.790 -10.490 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.350 0.827 -11.559 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.291 1.025 -8.375 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.778 -0.639 -7.975 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.910 0.439 -8.825 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.348 1.660 -12.745 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.311 -0.116 -12.637 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.704 0.863 -11.551 1.00 0.00 H new ATOM 288 N THR A 19 3.000 -2.692 -8.594 1.00 0.00 N ATOM 289 CA THR A 19 3.086 -3.655 -7.506 1.00 0.00 C ATOM 290 C THR A 19 3.495 -2.909 -6.238 1.00 0.00 C ATOM 291 O THR A 19 4.125 -1.852 -6.315 1.00 0.00 O ATOM 292 CB THR A 19 4.104 -4.747 -7.854 1.00 0.00 C ATOM 293 OG1 THR A 19 3.790 -5.336 -9.095 1.00 0.00 O ATOM 294 CG2 THR A 19 4.134 -5.855 -6.802 1.00 0.00 C ATOM 0 H THR A 19 3.760 -2.012 -8.586 1.00 0.00 H new ATOM 0 HA THR A 19 2.122 -4.138 -7.347 1.00 0.00 H new ATOM 0 HB THR A 19 5.080 -4.263 -7.893 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.450 -6.030 -9.304 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.868 -6.608 -7.088 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.406 -5.431 -5.835 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.149 -6.317 -6.732 1.00 0.00 H new ATOM 302 N ILE A 20 3.143 -3.454 -5.074 1.00 0.00 N ATOM 303 CA ILE A 20 3.402 -2.841 -3.785 1.00 0.00 C ATOM 304 C ILE A 20 3.926 -3.925 -2.846 1.00 0.00 C ATOM 305 O ILE A 20 3.537 -5.085 -2.975 1.00 0.00 O ATOM 306 CB ILE A 20 2.093 -2.254 -3.227 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.416 -1.274 -4.195 1.00 0.00 C ATOM 308 CG2 ILE A 20 2.335 -1.576 -1.875 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.214 0.014 -4.383 1.00 0.00 C ATOM 0 H ILE A 20 2.661 -4.351 -5.006 1.00 0.00 H new ATOM 0 HA ILE A 20 4.134 -2.039 -3.880 1.00 0.00 H new ATOM 0 HB ILE A 20 1.412 -3.094 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.283 -1.759 -5.162 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.422 -1.029 -3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.397 -1.168 -1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.723 -2.307 -1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.058 -0.769 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.688 0.670 -5.077 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.325 0.517 -3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.199 -0.224 -4.784 1.00 0.00 H new ATOM 321 N THR A 21 4.798 -3.555 -1.906 1.00 0.00 N ATOM 322 CA THR A 21 5.369 -4.509 -0.962 1.00 0.00 C ATOM 323 C THR A 21 5.523 -3.855 0.406 1.00 0.00 C ATOM 324 O THR A 21 6.166 -2.813 0.530 1.00 0.00 O ATOM 325 CB THR A 21 6.732 -4.976 -1.473 1.00 0.00 C ATOM 326 OG1 THR A 21 6.607 -5.525 -2.766 1.00 0.00 O ATOM 327 CG2 THR A 21 7.326 -6.043 -0.558 1.00 0.00 C ATOM 0 H THR A 21 5.123 -2.596 -1.781 1.00 0.00 H new ATOM 0 HA THR A 21 4.705 -5.368 -0.869 1.00 0.00 H new ATOM 0 HB THR A 21 7.389 -4.106 -1.492 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.124 -6.376 -2.715 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.295 -6.356 -0.946 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.451 -5.634 0.444 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.656 -6.902 -0.518 1.00 0.00 H new ATOM 335 N ILE A 22 4.935 -4.469 1.433 1.00 0.00 N ATOM 336 CA ILE A 22 5.067 -3.995 2.803 1.00 0.00 C ATOM 337 C ILE A 22 6.438 -4.418 3.334 1.00 0.00 C ATOM 338 O ILE A 22 6.619 -5.539 3.805 1.00 0.00 O ATOM 339 CB ILE A 22 3.898 -4.496 3.667 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.137 -4.240 5.160 1.00 0.00 C ATOM 341 CG2 ILE A 22 3.606 -5.984 3.466 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.367 -2.758 5.440 1.00 0.00 C ATOM 0 H ILE A 22 4.358 -5.304 1.336 1.00 0.00 H new ATOM 0 HA ILE A 22 5.014 -2.907 2.841 1.00 0.00 H new ATOM 0 HB ILE A 22 3.033 -3.923 3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.279 -4.591 5.733 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.001 -4.814 5.496 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.771 -6.280 4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.350 -6.167 2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.488 -6.567 3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.533 -2.611 6.507 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.241 -2.414 4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.492 -2.189 5.127 1.00 0.00 H new ATOM 354 N LEU A 23 7.412 -3.508 3.257 1.00 0.00 N ATOM 355 CA LEU A 23 8.775 -3.805 3.661 1.00 0.00 C ATOM 356 C LEU A 23 8.873 -3.968 5.176 1.00 0.00 C ATOM 357 O LEU A 23 9.710 -4.733 5.652 1.00 0.00 O ATOM 358 CB LEU A 23 9.704 -2.688 3.187 1.00 0.00 C ATOM 359 CG LEU A 23 9.553 -2.396 1.694 1.00 0.00 C ATOM 360 CD1 LEU A 23 10.516 -1.289 1.293 1.00 0.00 C ATOM 361 CD2 LEU A 23 9.873 -3.616 0.841 1.00 0.00 C ATOM 0 H LEU A 23 7.274 -2.557 2.916 1.00 0.00 H new ATOM 0 HA LEU A 23 9.078 -4.746 3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.495 -1.781 3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.737 -2.965 3.397 1.00 0.00 H new ATOM 0 HG LEU A 23 8.516 -2.105 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.408 -1.081 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.292 -0.388 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.539 -1.604 1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.753 -3.365 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.901 -3.929 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.194 -4.429 1.100 1.00 0.00 H new ATOM 373 N GLY A 24 8.033 -3.260 5.943 1.00 0.00 N ATOM 374 CA GLY A 24 7.979 -3.464 7.388 1.00 0.00 C ATOM 375 C GLY A 24 7.390 -2.274 8.138 1.00 0.00 C ATOM 376 O GLY A 24 6.919 -1.325 7.519 1.00 0.00 O ATOM 0 H GLY A 24 7.391 -2.551 5.588 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.383 -4.352 7.602 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.985 -3.658 7.759 1.00 0.00 H new ATOM 380 N VAL A 25 7.419 -2.330 9.474 1.00 0.00 N ATOM 381 CA VAL A 25 6.899 -1.252 10.315 1.00 0.00 C ATOM 382 C VAL A 25 7.863 -0.939 11.459 1.00 0.00 C ATOM 383 O VAL A 25 8.712 -1.760 11.803 1.00 0.00 O ATOM 384 CB VAL A 25 5.503 -1.597 10.871 1.00 0.00 C ATOM 385 CG1 VAL A 25 4.620 -2.263 9.812 1.00 0.00 C ATOM 386 CG2 VAL A 25 5.588 -2.528 12.081 1.00 0.00 C ATOM 0 H VAL A 25 7.801 -3.118 9.997 1.00 0.00 H new ATOM 0 HA VAL A 25 6.804 -0.365 9.688 1.00 0.00 H new ATOM 0 HB VAL A 25 5.058 -0.649 11.173 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.645 -2.491 10.242 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.494 -1.588 8.966 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.091 -3.186 9.473 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.583 -2.747 12.443 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.080 -3.457 11.792 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.161 -2.045 12.872 1.00 0.00 H new ATOM 396 N SER A 26 7.712 0.253 12.042 1.00 0.00 N ATOM 397 CA SER A 26 8.495 0.714 13.183 1.00 0.00 C ATOM 398 C SER A 26 7.630 1.667 13.996 1.00 0.00 C ATOM 399 O SER A 26 7.404 2.803 13.586 1.00 0.00 O ATOM 400 CB SER A 26 9.755 1.442 12.705 1.00 0.00 C ATOM 401 OG SER A 26 10.583 0.577 11.952 1.00 0.00 O ATOM 0 H SER A 26 7.026 0.937 11.724 1.00 0.00 H new ATOM 0 HA SER A 26 8.801 -0.138 13.791 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.474 2.303 12.098 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.307 1.824 13.564 1.00 0.00 H new ATOM 0 HG SER A 26 11.381 1.063 11.656 1.00 0.00 H new ATOM 407 N GLY A 27 7.143 1.213 15.153 1.00 0.00 N ATOM 408 CA GLY A 27 6.184 1.973 15.936 1.00 0.00 C ATOM 409 C GLY A 27 4.873 2.063 15.173 1.00 0.00 C ATOM 410 O GLY A 27 4.065 1.139 15.224 1.00 0.00 O ATOM 0 H GLY A 27 7.403 0.317 15.565 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.024 1.493 16.902 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.571 2.972 16.136 1.00 0.00 H new ATOM 414 N GLN A 28 4.669 3.177 14.465 1.00 0.00 N ATOM 415 CA GLN A 28 3.518 3.374 13.592 1.00 0.00 C ATOM 416 C GLN A 28 3.980 3.769 12.195 1.00 0.00 C ATOM 417 O GLN A 28 3.149 3.968 11.313 1.00 0.00 O ATOM 418 CB GLN A 28 2.587 4.450 14.153 1.00 0.00 C ATOM 419 CG GLN A 28 1.886 4.064 15.453 1.00 0.00 C ATOM 420 CD GLN A 28 0.906 2.905 15.287 1.00 0.00 C ATOM 421 OE1 GLN A 28 -0.302 3.109 15.274 1.00 0.00 O ATOM 422 NE2 GLN A 28 1.405 1.681 15.157 1.00 0.00 N ATOM 0 H GLN A 28 5.307 3.973 14.485 1.00 0.00 H new ATOM 0 HA GLN A 28 2.968 2.434 13.537 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.163 5.360 14.322 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.832 4.686 13.404 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.636 3.793 16.196 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.351 4.931 15.841 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.415 1.538 15.171 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.778 0.884 15.043 1.00 0.00 H new ATOM 431 N GLN A 29 5.293 3.883 11.985 1.00 0.00 N ATOM 432 CA GLN A 29 5.847 4.112 10.660 1.00 0.00 C ATOM 433 C GLN A 29 5.751 2.810 9.882 1.00 0.00 C ATOM 434 O GLN A 29 5.732 1.731 10.471 1.00 0.00 O ATOM 435 CB GLN A 29 7.311 4.544 10.765 1.00 0.00 C ATOM 436 CG GLN A 29 7.408 5.947 11.362 1.00 0.00 C ATOM 437 CD GLN A 29 8.824 6.317 11.748 1.00 0.00 C ATOM 438 OE1 GLN A 29 9.813 5.711 11.099 1.00 0.00 O flip ATOM 439 NE2 GLN A 29 9.018 7.149 12.626 1.00 0.00 N flip ATOM 0 H GLN A 29 5.992 3.819 12.725 1.00 0.00 H new ATOM 0 HA GLN A 29 5.293 4.903 10.154 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.862 3.838 11.386 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.774 4.528 9.778 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.030 6.672 10.641 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.767 6.009 12.242 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.227 7.588 13.097 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.971 7.403 12.886 1.00 0.00 H new ATOM 448 N VAL A 30 5.690 2.913 8.554 1.00 0.00 N ATOM 449 CA VAL A 30 5.586 1.755 7.693 1.00 0.00 C ATOM 450 C VAL A 30 6.438 2.004 6.461 1.00 0.00 C ATOM 451 O VAL A 30 6.162 2.938 5.707 1.00 0.00 O ATOM 452 CB VAL A 30 4.123 1.544 7.298 1.00 0.00 C ATOM 453 CG1 VAL A 30 3.999 0.289 6.442 1.00 0.00 C ATOM 454 CG2 VAL A 30 3.229 1.370 8.527 1.00 0.00 C ATOM 0 H VAL A 30 5.712 3.802 8.055 1.00 0.00 H new ATOM 0 HA VAL A 30 5.936 0.860 8.207 1.00 0.00 H new ATOM 0 HB VAL A 30 3.802 2.427 6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.956 0.141 6.162 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.604 0.401 5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.348 -0.574 7.009 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.197 1.222 8.208 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.560 0.502 9.098 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.292 2.261 9.152 1.00 0.00 H new ATOM 464 N ARG A 31 7.467 1.179 6.253 1.00 0.00 N ATOM 465 CA ARG A 31 8.209 1.204 5.006 1.00 0.00 C ATOM 466 C ARG A 31 7.354 0.493 3.974 1.00 0.00 C ATOM 467 O ARG A 31 7.025 -0.682 4.143 1.00 0.00 O ATOM 468 CB ARG A 31 9.536 0.450 5.114 1.00 0.00 C ATOM 469 CG ARG A 31 10.671 1.235 5.763 1.00 0.00 C ATOM 470 CD ARG A 31 11.963 0.489 5.421 1.00 0.00 C ATOM 471 NE ARG A 31 13.149 1.112 6.014 1.00 0.00 N ATOM 472 CZ ARG A 31 14.393 0.689 5.768 1.00 0.00 C ATOM 473 NH1 ARG A 31 14.605 -0.369 4.989 1.00 0.00 N ATOM 474 NH2 ARG A 31 15.432 1.322 6.303 1.00 0.00 N ATOM 0 H ARG A 31 7.798 0.493 6.931 1.00 0.00 H new ATOM 0 HA ARG A 31 8.428 2.239 4.742 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.372 -0.463 5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.848 0.148 4.114 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.701 2.257 5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.533 1.297 6.842 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.886 -0.541 5.769 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.080 0.451 4.338 1.00 0.00 H new ATOM 0 HE ARG A 31 13.020 1.904 6.643 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.815 -0.864 4.575 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.557 -0.685 4.806 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.281 2.133 6.903 1.00 0.00 H new ATOM 0 HH22 ARG A 31 16.380 0.997 6.113 1.00 0.00 H new ATOM 488 N ILE A 32 7.001 1.215 2.911 1.00 0.00 N ATOM 489 CA ILE A 32 6.195 0.690 1.826 1.00 0.00 C ATOM 490 C ILE A 32 6.987 0.839 0.534 1.00 0.00 C ATOM 491 O ILE A 32 7.346 1.950 0.145 1.00 0.00 O ATOM 492 CB ILE A 32 4.862 1.444 1.741 1.00 0.00 C ATOM 493 CG1 ILE A 32 4.212 1.551 3.131 1.00 0.00 C ATOM 494 CG2 ILE A 32 3.952 0.718 0.746 1.00 0.00 C ATOM 495 CD1 ILE A 32 2.821 2.183 3.080 1.00 0.00 C ATOM 0 H ILE A 32 7.273 2.190 2.784 1.00 0.00 H new ATOM 0 HA ILE A 32 5.966 -0.362 1.998 1.00 0.00 H new ATOM 0 HB ILE A 32 5.030 2.462 1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.140 0.557 3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.853 2.144 3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.999 1.243 0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.429 0.696 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.779 -0.302 1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.408 2.235 4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.893 3.188 2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.169 1.577 2.451 1.00 0.00 H new ATOM 507 N GLY A 33 7.254 -0.286 -0.126 1.00 0.00 N ATOM 508 CA GLY A 33 7.966 -0.295 -1.391 1.00 0.00 C ATOM 509 C GLY A 33 6.951 -0.256 -2.520 1.00 0.00 C ATOM 510 O GLY A 33 5.847 -0.783 -2.380 1.00 0.00 O ATOM 0 H GLY A 33 6.982 -1.212 0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.635 0.563 -1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.585 -1.189 -1.470 1.00 0.00 H new ATOM 514 N ILE A 34 7.321 0.359 -3.641 1.00 0.00 N ATOM 515 CA ILE A 34 6.450 0.457 -4.800 1.00 0.00 C ATOM 516 C ILE A 34 7.270 0.108 -6.031 1.00 0.00 C ATOM 517 O ILE A 34 8.453 0.433 -6.108 1.00 0.00 O ATOM 518 CB ILE A 34 5.857 1.869 -4.887 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.105 2.192 -3.586 1.00 0.00 C ATOM 520 CG2 ILE A 34 4.925 1.963 -6.103 1.00 0.00 C ATOM 521 CD1 ILE A 34 4.523 3.606 -3.572 1.00 0.00 C ATOM 0 H ILE A 34 8.232 0.801 -3.767 1.00 0.00 H new ATOM 0 HA ILE A 34 5.613 -0.237 -4.723 1.00 0.00 H new ATOM 0 HB ILE A 34 6.656 2.600 -5.012 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.299 1.471 -3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.784 2.075 -2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.505 2.967 -6.163 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.489 1.751 -7.011 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.118 1.238 -6.000 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.004 3.776 -2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.329 4.332 -3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.821 3.719 -4.398 1.00 0.00 H new ATOM 533 N ASN A 35 6.641 -0.560 -6.996 1.00 0.00 N ATOM 534 CA ASN A 35 7.320 -0.999 -8.197 1.00 0.00 C ATOM 535 C ASN A 35 6.429 -0.703 -9.395 1.00 0.00 C ATOM 536 O ASN A 35 5.453 -1.407 -9.651 1.00 0.00 O ATOM 537 CB ASN A 35 7.659 -2.487 -8.071 1.00 0.00 C ATOM 538 CG ASN A 35 8.582 -2.965 -9.183 1.00 0.00 C ATOM 539 OD1 ASN A 35 8.896 -2.224 -10.108 1.00 0.00 O ATOM 540 ND2 ASN A 35 9.025 -4.213 -9.096 1.00 0.00 N ATOM 0 H ASN A 35 5.652 -0.807 -6.961 1.00 0.00 H new ATOM 0 HA ASN A 35 8.259 -0.464 -8.338 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.132 -2.669 -7.106 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.738 -3.070 -8.090 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.648 -4.584 -9.813 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.743 -4.801 -8.312 1.00 0.00 H new ATOM 547 N ALA A 36 6.790 0.358 -10.117 1.00 0.00 N ATOM 548 CA ALA A 36 6.054 0.828 -11.276 1.00 0.00 C ATOM 549 C ALA A 36 7.042 1.369 -12.309 1.00 0.00 C ATOM 550 O ALA A 36 8.144 1.778 -11.944 1.00 0.00 O ATOM 551 CB ALA A 36 5.092 1.923 -10.808 1.00 0.00 C ATOM 0 H ALA A 36 7.615 0.919 -9.905 1.00 0.00 H new ATOM 0 HA ALA A 36 5.486 0.022 -11.740 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.524 2.296 -11.660 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.407 1.513 -10.066 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.660 2.741 -10.364 1.00 0.00 H new ATOM 557 N PRO A 37 6.675 1.385 -13.595 1.00 0.00 N ATOM 558 CA PRO A 37 7.507 1.936 -14.648 1.00 0.00 C ATOM 559 C PRO A 37 7.535 3.457 -14.551 1.00 0.00 C ATOM 560 O PRO A 37 6.585 4.069 -14.068 1.00 0.00 O ATOM 561 CB PRO A 37 6.833 1.500 -15.949 1.00 0.00 C ATOM 562 CG PRO A 37 5.363 1.356 -15.567 1.00 0.00 C ATOM 563 CD PRO A 37 5.426 0.863 -14.126 1.00 0.00 C ATOM 0 HA PRO A 37 8.539 1.591 -14.584 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.971 2.239 -16.738 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.245 0.560 -16.317 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.832 2.304 -15.646 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.846 0.647 -16.213 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.573 1.222 -13.550 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.405 -0.226 -14.082 1.00 0.00 H new ATOM 571 N LYS A 38 8.623 4.077 -15.009 1.00 0.00 N ATOM 572 CA LYS A 38 8.733 5.532 -15.053 1.00 0.00 C ATOM 573 C LYS A 38 7.698 6.119 -16.017 1.00 0.00 C ATOM 574 O LYS A 38 7.585 7.338 -16.142 1.00 0.00 O ATOM 575 CB LYS A 38 10.158 5.936 -15.436 1.00 0.00 C ATOM 576 CG LYS A 38 11.181 5.505 -14.376 1.00 0.00 C ATOM 577 CD LYS A 38 10.982 6.215 -13.034 1.00 0.00 C ATOM 578 CE LYS A 38 11.106 7.732 -13.144 1.00 0.00 C ATOM 579 NZ LYS A 38 12.429 8.134 -13.661 1.00 0.00 N ATOM 0 H LYS A 38 9.447 3.587 -15.357 1.00 0.00 H new ATOM 0 HA LYS A 38 8.523 5.939 -14.064 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.417 5.486 -16.394 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.206 7.017 -15.568 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.109 4.428 -14.226 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.186 5.709 -14.744 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.999 5.963 -12.637 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.718 5.846 -12.320 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.326 8.114 -13.803 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.945 8.183 -12.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.535 9.165 -13.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.175 7.665 -13.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.511 7.855 -14.660 1.00 0.00 H new ATOM 593 N ASP A 39 6.945 5.250 -16.693 1.00 0.00 N ATOM 594 CA ASP A 39 5.829 5.629 -17.547 1.00 0.00 C ATOM 595 C ASP A 39 4.672 6.195 -16.716 1.00 0.00 C ATOM 596 O ASP A 39 3.728 6.757 -17.272 1.00 0.00 O ATOM 597 CB ASP A 39 5.368 4.388 -18.311 1.00 0.00 C ATOM 598 CG ASP A 39 4.370 4.736 -19.414 1.00 0.00 C ATOM 599 OD1 ASP A 39 4.739 5.538 -20.302 1.00 0.00 O ATOM 600 OD2 ASP A 39 3.242 4.193 -19.359 1.00 0.00 O ATOM 0 H ASP A 39 7.101 4.243 -16.658 1.00 0.00 H new ATOM 0 HA ASP A 39 6.149 6.406 -18.242 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.233 3.889 -18.748 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.910 3.683 -17.617 1.00 0.00 H new ATOM 605 N VAL A 40 4.748 6.045 -15.386 1.00 0.00 N ATOM 606 CA VAL A 40 3.730 6.529 -14.460 1.00 0.00 C ATOM 607 C VAL A 40 4.403 7.150 -13.241 1.00 0.00 C ATOM 608 O VAL A 40 5.573 6.891 -12.967 1.00 0.00 O ATOM 609 CB VAL A 40 2.776 5.403 -14.042 1.00 0.00 C ATOM 610 CG1 VAL A 40 2.159 4.718 -15.262 1.00 0.00 C ATOM 611 CG2 VAL A 40 3.481 4.340 -13.198 1.00 0.00 C ATOM 0 H VAL A 40 5.529 5.578 -14.924 1.00 0.00 H new ATOM 0 HA VAL A 40 3.133 7.289 -14.965 1.00 0.00 H new ATOM 0 HB VAL A 40 1.994 5.873 -13.445 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.488 3.925 -14.933 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.599 5.449 -15.845 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.950 4.291 -15.879 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.769 3.562 -12.924 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.296 3.900 -13.773 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.882 4.800 -12.295 1.00 0.00 H new ATOM 621 N ALA A 41 3.660 7.976 -12.503 1.00 0.00 N ATOM 622 CA ALA A 41 4.205 8.707 -11.374 1.00 0.00 C ATOM 623 C ALA A 41 3.850 8.036 -10.050 1.00 0.00 C ATOM 624 O ALA A 41 2.877 7.289 -9.967 1.00 0.00 O ATOM 625 CB ALA A 41 3.651 10.131 -11.409 1.00 0.00 C ATOM 0 H ALA A 41 2.670 8.152 -12.675 1.00 0.00 H new ATOM 0 HA ALA A 41 5.292 8.720 -11.449 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.049 10.697 -10.567 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.944 10.613 -12.342 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.563 10.100 -11.343 1.00 0.00 H new ATOM 631 N VAL A 42 4.642 8.310 -9.012 1.00 0.00 N ATOM 632 CA VAL A 42 4.347 7.863 -7.651 1.00 0.00 C ATOM 633 C VAL A 42 4.999 8.833 -6.666 1.00 0.00 C ATOM 634 O VAL A 42 6.162 9.190 -6.836 1.00 0.00 O ATOM 635 CB VAL A 42 4.836 6.420 -7.466 1.00 0.00 C ATOM 636 CG1 VAL A 42 6.268 6.211 -7.946 1.00 0.00 C ATOM 637 CG2 VAL A 42 4.779 5.976 -6.010 1.00 0.00 C ATOM 0 H VAL A 42 5.505 8.848 -9.092 1.00 0.00 H new ATOM 0 HA VAL A 42 3.273 7.863 -7.463 1.00 0.00 H new ATOM 0 HB VAL A 42 4.156 5.823 -8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.556 5.172 -7.789 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.334 6.450 -9.007 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.938 6.862 -7.385 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.135 4.949 -5.929 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.411 6.627 -5.406 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.751 6.034 -5.652 1.00 0.00 H new ATOM 647 N HIS A 43 4.255 9.255 -5.639 1.00 0.00 N ATOM 648 CA HIS A 43 4.728 10.247 -4.681 1.00 0.00 C ATOM 649 C HIS A 43 3.971 10.153 -3.356 1.00 0.00 C ATOM 650 O HIS A 43 2.953 9.473 -3.264 1.00 0.00 O ATOM 651 CB HIS A 43 4.485 11.655 -5.233 1.00 0.00 C ATOM 652 CG HIS A 43 5.069 11.898 -6.595 1.00 0.00 C ATOM 653 ND1 HIS A 43 6.388 12.279 -6.851 1.00 0.00 N ATOM 654 CD2 HIS A 43 4.394 11.785 -7.775 1.00 0.00 C ATOM 655 CE1 HIS A 43 6.478 12.375 -8.187 1.00 0.00 C ATOM 656 NE2 HIS A 43 5.300 12.087 -8.765 1.00 0.00 N ATOM 0 H HIS A 43 3.311 8.917 -5.453 1.00 0.00 H new ATOM 0 HA HIS A 43 5.788 10.055 -4.517 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.411 11.835 -5.275 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.903 12.382 -4.537 1.00 0.00 H new ATOM 0 HD1 HIS A 43 7.126 12.448 -6.168 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.357 11.513 -7.906 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.375 12.647 -8.724 1.00 0.00 H new ATOM 664 N ARG A 44 4.470 10.844 -2.326 1.00 0.00 N ATOM 665 CA ARG A 44 3.729 11.002 -1.080 1.00 0.00 C ATOM 666 C ARG A 44 2.556 11.937 -1.337 1.00 0.00 C ATOM 667 O ARG A 44 2.573 12.700 -2.299 1.00 0.00 O ATOM 668 CB ARG A 44 4.634 11.573 0.018 1.00 0.00 C ATOM 669 CG ARG A 44 5.908 10.743 0.156 1.00 0.00 C ATOM 670 CD ARG A 44 6.679 11.080 1.435 1.00 0.00 C ATOM 671 NE ARG A 44 6.882 12.523 1.625 1.00 0.00 N ATOM 672 CZ ARG A 44 7.754 13.280 0.954 1.00 0.00 C ATOM 673 NH1 ARG A 44 8.516 12.781 -0.014 1.00 0.00 N ATOM 674 NH2 ARG A 44 7.868 14.565 1.258 1.00 0.00 N ATOM 0 H ARG A 44 5.382 11.300 -2.335 1.00 0.00 H new ATOM 0 HA ARG A 44 3.367 10.031 -0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.891 12.606 -0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.098 11.586 0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.652 9.684 0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.548 10.916 -0.709 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.139 10.679 2.293 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.649 10.584 1.408 1.00 0.00 H new ATOM 0 HE ARG A 44 6.308 12.986 2.330 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.444 11.794 -0.262 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.173 13.385 -0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.293 14.967 1.998 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.531 15.152 0.752 1.00 0.00 H new ATOM 688 N GLU A 45 1.525 11.901 -0.491 1.00 0.00 N ATOM 689 CA GLU A 45 0.354 12.751 -0.679 1.00 0.00 C ATOM 690 C GLU A 45 0.720 14.230 -0.530 1.00 0.00 C ATOM 691 O GLU A 45 0.023 15.094 -1.060 1.00 0.00 O ATOM 692 CB GLU A 45 -0.731 12.302 0.297 1.00 0.00 C ATOM 693 CG GLU A 45 -2.077 12.997 0.059 1.00 0.00 C ATOM 694 CD GLU A 45 -2.247 14.309 0.828 1.00 0.00 C ATOM 695 OE1 GLU A 45 -1.341 14.659 1.616 1.00 0.00 O ATOM 696 OE2 GLU A 45 -3.295 14.961 0.614 1.00 0.00 O ATOM 0 H GLU A 45 1.479 11.294 0.327 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.034 12.646 -1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.865 11.224 0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.400 12.502 1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.187 13.196 -1.007 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.880 12.316 0.341 1.00 0.00 H new ATOM 703 N GLU A 46 1.809 14.534 0.187 1.00 0.00 N ATOM 704 CA GLU A 46 2.277 15.904 0.374 1.00 0.00 C ATOM 705 C GLU A 46 3.206 16.353 -0.758 1.00 0.00 C ATOM 706 O GLU A 46 3.688 17.484 -0.747 1.00 0.00 O ATOM 707 CB GLU A 46 2.964 16.038 1.738 1.00 0.00 C ATOM 708 CG GLU A 46 4.186 15.122 1.865 1.00 0.00 C ATOM 709 CD GLU A 46 4.859 15.256 3.230 1.00 0.00 C ATOM 710 OE1 GLU A 46 4.146 15.563 4.213 1.00 0.00 O ATOM 711 OE2 GLU A 46 6.092 15.047 3.282 1.00 0.00 O ATOM 0 H GLU A 46 2.387 13.834 0.652 1.00 0.00 H new ATOM 0 HA GLU A 46 1.410 16.563 0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.271 17.073 1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.250 15.800 2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.881 14.087 1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.904 15.363 1.081 1.00 0.00 H new ATOM 718 N ILE A 47 3.461 15.475 -1.735 1.00 0.00 N ATOM 719 CA ILE A 47 4.308 15.770 -2.885 1.00 0.00 C ATOM 720 C ILE A 47 3.499 15.645 -4.166 1.00 0.00 C ATOM 721 O ILE A 47 3.737 16.381 -5.118 1.00 0.00 O ATOM 722 CB ILE A 47 5.513 14.822 -2.884 1.00 0.00 C ATOM 723 CG1 ILE A 47 6.423 15.092 -1.681 1.00 0.00 C ATOM 724 CG2 ILE A 47 6.321 14.946 -4.176 1.00 0.00 C ATOM 725 CD1 ILE A 47 6.946 16.530 -1.628 1.00 0.00 C ATOM 0 H ILE A 47 3.078 14.530 -1.745 1.00 0.00 H new ATOM 0 HA ILE A 47 4.679 16.793 -2.824 1.00 0.00 H new ATOM 0 HB ILE A 47 5.123 13.807 -2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.874 14.878 -0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.269 14.406 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.168 14.261 -4.143 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.687 14.698 -5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.685 15.968 -4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.583 16.653 -0.752 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.522 16.741 -2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.105 17.221 -1.565 1.00 0.00 H new ATOM 737 N TYR A 48 2.540 14.719 -4.207 1.00 0.00 N ATOM 738 CA TYR A 48 1.702 14.535 -5.378 1.00 0.00 C ATOM 739 C TYR A 48 0.997 15.836 -5.747 1.00 0.00 C ATOM 740 O TYR A 48 0.889 16.167 -6.926 1.00 0.00 O ATOM 741 CB TYR A 48 0.671 13.450 -5.088 1.00 0.00 C ATOM 742 CG TYR A 48 -0.464 13.433 -6.085 1.00 0.00 C ATOM 743 CD1 TYR A 48 -0.200 13.401 -7.460 1.00 0.00 C ATOM 744 CD2 TYR A 48 -1.787 13.461 -5.623 1.00 0.00 C ATOM 745 CE1 TYR A 48 -1.258 13.424 -8.380 1.00 0.00 C ATOM 746 CE2 TYR A 48 -2.851 13.467 -6.533 1.00 0.00 C ATOM 747 CZ TYR A 48 -2.590 13.453 -7.920 1.00 0.00 C ATOM 748 OH TYR A 48 -3.622 13.462 -8.810 1.00 0.00 O ATOM 0 H TYR A 48 2.329 14.086 -3.436 1.00 0.00 H new ATOM 0 HA TYR A 48 2.327 14.236 -6.219 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.164 12.478 -5.090 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.266 13.599 -4.087 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.820 13.359 -7.812 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.986 13.478 -4.562 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.052 13.419 -9.440 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.870 13.482 -6.174 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.473 13.481 -8.324 1.00 0.00 H new ATOM 758 N GLN A 49 0.517 16.582 -4.750 1.00 0.00 N ATOM 759 CA GLN A 49 -0.178 17.834 -4.987 1.00 0.00 C ATOM 760 C GLN A 49 0.741 18.861 -5.645 1.00 0.00 C ATOM 761 O GLN A 49 0.264 19.815 -6.258 1.00 0.00 O ATOM 762 CB GLN A 49 -0.699 18.385 -3.657 1.00 0.00 C ATOM 763 CG GLN A 49 -1.697 17.426 -3.007 1.00 0.00 C ATOM 764 CD GLN A 49 -2.155 17.968 -1.659 1.00 0.00 C ATOM 765 OE1 GLN A 49 -2.897 18.944 -1.596 1.00 0.00 O ATOM 766 NE2 GLN A 49 -1.721 17.339 -0.571 1.00 0.00 N ATOM 0 H GLN A 49 0.602 16.332 -3.765 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.011 17.643 -5.663 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.138 18.556 -2.980 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.176 19.351 -3.824 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.557 17.288 -3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.237 16.447 -2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.105 16.531 -0.661 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.004 17.665 0.353 1.00 0.00 H new ATOM 775 N ARG A 50 2.059 18.668 -5.520 1.00 0.00 N ATOM 776 CA ARG A 50 3.034 19.604 -6.055 1.00 0.00 C ATOM 777 C ARG A 50 3.361 19.297 -7.509 1.00 0.00 C ATOM 778 O ARG A 50 3.580 20.223 -8.284 1.00 0.00 O ATOM 779 CB ARG A 50 4.286 19.548 -5.180 1.00 0.00 C ATOM 780 CG ARG A 50 5.301 20.587 -5.640 1.00 0.00 C ATOM 781 CD ARG A 50 6.481 20.601 -4.677 1.00 0.00 C ATOM 782 NE ARG A 50 6.108 21.173 -3.379 1.00 0.00 N ATOM 783 CZ ARG A 50 6.680 20.856 -2.214 1.00 0.00 C ATOM 784 NH1 ARG A 50 7.668 19.966 -2.163 1.00 0.00 N ATOM 785 NH2 ARG A 50 6.263 21.432 -1.091 1.00 0.00 N ATOM 0 H ARG A 50 2.470 17.863 -5.048 1.00 0.00 H new ATOM 0 HA ARG A 50 2.619 20.612 -6.038 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.018 19.728 -4.139 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.727 18.553 -5.228 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.643 20.356 -6.649 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.837 21.573 -5.679 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.849 19.585 -4.536 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.298 21.179 -5.109 1.00 0.00 H new ATOM 0 HE ARG A 50 5.357 21.863 -3.365 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.996 19.518 -3.019 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.097 19.732 -1.268 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.507 22.116 -1.119 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.699 21.190 -0.201 1.00 0.00 H new ATOM 799 N ILE A 51 3.395 18.020 -7.902 1.00 0.00 N ATOM 800 CA ILE A 51 3.624 17.670 -9.301 1.00 0.00 C ATOM 801 C ILE A 51 2.481 18.218 -10.158 1.00 0.00 C ATOM 802 O ILE A 51 2.617 18.355 -11.374 1.00 0.00 O ATOM 803 CB ILE A 51 3.800 16.146 -9.464 1.00 0.00 C ATOM 804 CG1 ILE A 51 5.182 15.693 -8.978 1.00 0.00 C ATOM 805 CG2 ILE A 51 3.734 15.718 -10.935 1.00 0.00 C ATOM 806 CD1 ILE A 51 5.315 15.710 -7.459 1.00 0.00 C ATOM 0 H ILE A 51 3.268 17.223 -7.278 1.00 0.00 H new ATOM 0 HA ILE A 51 4.552 18.128 -9.644 1.00 0.00 H new ATOM 0 HB ILE A 51 2.994 15.698 -8.883 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.377 14.685 -9.343 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.944 16.341 -9.411 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.862 14.638 -11.006 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.766 15.996 -11.352 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.527 16.215 -11.494 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.315 15.379 -7.178 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.151 16.723 -7.091 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.575 15.040 -7.021 1.00 0.00 H new ATOM 1635 N MET C 1 12.012 0.031 -7.735 1.00 0.00 N ATOM 1636 CA MET C 1 11.562 0.085 -6.331 1.00 0.00 C ATOM 1637 C MET C 1 11.698 1.493 -5.781 1.00 0.00 C ATOM 1638 O MET C 1 12.794 2.044 -5.780 1.00 0.00 O ATOM 1639 CB MET C 1 12.383 -0.862 -5.458 1.00 0.00 C ATOM 1640 CG MET C 1 11.988 -0.734 -3.989 1.00 0.00 C ATOM 1641 SD MET C 1 10.368 -1.411 -3.568 1.00 0.00 S ATOM 1642 CE MET C 1 10.897 -3.113 -3.265 1.00 0.00 C ATOM 0 H1 MET C 1 11.912 -0.940 -8.095 1.00 0.00 H new ATOM 0 H2 MET C 1 11.432 0.675 -8.310 1.00 0.00 H new ATOM 0 H3 MET C 1 13.010 0.320 -7.791 1.00 0.00 H new ATOM 0 HA MET C 1 10.516 -0.219 -6.311 1.00 0.00 H new ATOM 0 HB2 MET C 1 12.234 -1.889 -5.790 1.00 0.00 H new ATOM 0 HB3 MET C 1 13.444 -0.641 -5.573 1.00 0.00 H new ATOM 0 HG2 MET C 1 12.742 -1.234 -3.381 1.00 0.00 H new ATOM 0 HG3 MET C 1 12.006 0.321 -3.715 1.00 0.00 H new ATOM 0 HE1 MET C 1 10.034 -3.718 -2.985 1.00 0.00 H new ATOM 0 HE2 MET C 1 11.347 -3.521 -4.170 1.00 0.00 H new ATOM 0 HE3 MET C 1 11.629 -3.128 -2.457 1.00 0.00 H new ATOM 1654 N LEU C 2 10.595 2.075 -5.311 1.00 0.00 N ATOM 1655 CA LEU C 2 10.603 3.386 -4.680 1.00 0.00 C ATOM 1656 C LEU C 2 9.969 3.222 -3.297 1.00 0.00 C ATOM 1657 O LEU C 2 8.755 3.053 -3.182 1.00 0.00 O ATOM 1658 CB LEU C 2 9.854 4.373 -5.580 1.00 0.00 C ATOM 1659 CG LEU C 2 9.975 5.853 -5.181 1.00 0.00 C ATOM 1660 CD1 LEU C 2 8.721 6.287 -4.444 1.00 0.00 C ATOM 1661 CD2 LEU C 2 11.165 6.166 -4.276 1.00 0.00 C ATOM 0 H LEU C 2 9.671 1.646 -5.359 1.00 0.00 H new ATOM 0 HA LEU C 2 11.608 3.788 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.221 4.258 -6.600 1.00 0.00 H new ATOM 0 HB3 LEU C 2 8.798 4.102 -5.588 1.00 0.00 H new ATOM 0 HG LEU C 2 10.119 6.392 -6.117 1.00 0.00 H new ATOM 0 HD11 LEU C 2 8.809 7.336 -4.162 1.00 0.00 H new ATOM 0 HD12 LEU C 2 7.855 6.157 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU C 2 8.597 5.680 -3.547 1.00 0.00 H new ATOM 0 HD21 LEU C 2 11.175 7.231 -4.043 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.080 5.593 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.090 5.897 -4.786 1.00 0.00 H new ATOM 1673 N ILE C 3 10.798 3.267 -2.250 1.00 0.00 N ATOM 1674 CA ILE C 3 10.345 3.144 -0.872 1.00 0.00 C ATOM 1675 C ILE C 3 9.868 4.501 -0.378 1.00 0.00 C ATOM 1676 O ILE C 3 10.396 5.540 -0.771 1.00 0.00 O ATOM 1677 CB ILE C 3 11.466 2.637 0.053 1.00 0.00 C ATOM 1678 CG1 ILE C 3 11.888 1.204 -0.271 1.00 0.00 C ATOM 1679 CG2 ILE C 3 10.936 2.628 1.488 1.00 0.00 C ATOM 1680 CD1 ILE C 3 12.986 1.159 -1.321 1.00 0.00 C ATOM 0 H ILE C 3 11.806 3.391 -2.341 1.00 0.00 H new ATOM 0 HA ILE C 3 9.532 2.419 -0.849 1.00 0.00 H new ATOM 0 HB ILE C 3 12.324 3.296 -0.081 1.00 0.00 H new ATOM 0 HG12 ILE C 3 12.235 0.714 0.638 1.00 0.00 H new ATOM 0 HG13 ILE C 3 11.024 0.643 -0.626 1.00 0.00 H new ATOM 0 HG21 ILE C 3 11.715 2.271 2.161 1.00 0.00 H new ATOM 0 HG22 ILE C 3 10.643 3.638 1.774 1.00 0.00 H new ATOM 0 HG23 ILE C 3 10.071 1.968 1.552 1.00 0.00 H new ATOM 0 HD11 ILE C 3 13.256 0.122 -1.521 1.00 0.00 H new ATOM 0 HD12 ILE C 3 12.630 1.625 -2.240 1.00 0.00 H new ATOM 0 HD13 ILE C 3 13.861 1.697 -0.956 1.00 0.00 H new ATOM 1692 N LEU C 4 8.862 4.473 0.498 1.00 0.00 N ATOM 1693 CA LEU C 4 8.362 5.632 1.208 1.00 0.00 C ATOM 1694 C LEU C 4 8.031 5.187 2.629 1.00 0.00 C ATOM 1695 O LEU C 4 7.812 3.999 2.872 1.00 0.00 O ATOM 1696 CB LEU C 4 7.104 6.169 0.512 1.00 0.00 C ATOM 1697 CG LEU C 4 7.386 6.684 -0.905 1.00 0.00 C ATOM 1698 CD1 LEU C 4 6.067 7.036 -1.585 1.00 0.00 C ATOM 1699 CD2 LEU C 4 8.266 7.934 -0.879 1.00 0.00 C ATOM 0 H LEU C 4 8.364 3.614 0.734 1.00 0.00 H new ATOM 0 HA LEU C 4 9.105 6.429 1.221 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.355 5.379 0.465 1.00 0.00 H new ATOM 0 HB3 LEU C 4 6.679 6.976 1.110 1.00 0.00 H new ATOM 0 HG LEU C 4 7.908 5.898 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU C 4 6.264 7.403 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU C 4 5.437 6.148 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU C 4 5.557 7.809 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU C 4 8.447 8.273 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU C 4 7.763 8.722 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU C 4 9.217 7.700 -0.401 1.00 0.00 H new ATOM 1711 N THR C 5 7.996 6.132 3.571 1.00 0.00 N ATOM 1712 CA THR C 5 7.598 5.831 4.940 1.00 0.00 C ATOM 1713 C THR C 5 6.359 6.632 5.281 1.00 0.00 C ATOM 1714 O THR C 5 6.202 7.762 4.818 1.00 0.00 O ATOM 1715 CB THR C 5 8.717 6.154 5.933 1.00 0.00 C ATOM 1716 OG1 THR C 5 9.144 7.488 5.786 1.00 0.00 O ATOM 1717 CG2 THR C 5 9.904 5.227 5.710 1.00 0.00 C ATOM 0 H THR C 5 8.239 7.109 3.407 1.00 0.00 H new ATOM 0 HA THR C 5 7.388 4.764 5.014 1.00 0.00 H new ATOM 0 HB THR C 5 8.324 6.012 6.939 1.00 0.00 H new ATOM 0 HG1 THR C 5 9.858 7.676 6.430 1.00 0.00 H new ATOM 0 HG21 THR C 5 10.693 5.468 6.423 1.00 0.00 H new ATOM 0 HG22 THR C 5 9.590 4.193 5.852 1.00 0.00 H new ATOM 0 HG23 THR C 5 10.281 5.356 4.695 1.00 0.00 H new ATOM 1725 N ARG C 6 5.471 6.050 6.084 1.00 0.00 N ATOM 1726 CA ARG C 6 4.244 6.735 6.456 1.00 0.00 C ATOM 1727 C ARG C 6 3.766 6.308 7.837 1.00 0.00 C ATOM 1728 O ARG C 6 3.809 5.123 8.164 1.00 0.00 O ATOM 1729 CB ARG C 6 3.205 6.400 5.380 1.00 0.00 C ATOM 1730 CG ARG C 6 2.051 7.392 5.288 1.00 0.00 C ATOM 1731 CD ARG C 6 2.508 8.772 4.801 1.00 0.00 C ATOM 1732 NE ARG C 6 3.025 9.614 5.886 1.00 0.00 N ATOM 1733 CZ ARG C 6 4.097 10.407 5.807 1.00 0.00 C ATOM 1734 NH1 ARG C 6 4.825 10.484 4.696 1.00 0.00 N ATOM 1735 NH2 ARG C 6 4.456 11.136 6.861 1.00 0.00 N ATOM 0 H ARG C 6 5.579 5.118 6.483 1.00 0.00 H new ATOM 0 HA ARG C 6 4.408 7.811 6.512 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.705 6.352 4.412 1.00 0.00 H new ATOM 0 HB3 ARG C 6 2.800 5.408 5.580 1.00 0.00 H new ATOM 0 HG2 ARG C 6 1.293 7.002 4.609 1.00 0.00 H new ATOM 0 HG3 ARG C 6 1.581 7.492 6.267 1.00 0.00 H new ATOM 0 HD2 ARG C 6 3.282 8.647 4.043 1.00 0.00 H new ATOM 0 HD3 ARG C 6 1.671 9.279 4.321 1.00 0.00 H new ATOM 0 HE ARG C 6 2.524 9.592 6.774 1.00 0.00 H new ATOM 0 HH11 ARG C 6 4.569 9.930 3.879 1.00 0.00 H new ATOM 0 HH12 ARG C 6 5.639 11.097 4.661 1.00 0.00 H new ATOM 0 HH21 ARG C 6 3.913 11.087 7.723 1.00 0.00 H new ATOM 0 HH22 ARG C 6 5.274 11.743 6.806 1.00 0.00 H new ATOM 1749 N LYS C 7 3.308 7.262 8.655 1.00 0.00 N ATOM 1750 CA LYS C 7 2.716 6.966 9.954 1.00 0.00 C ATOM 1751 C LYS C 7 1.252 6.592 9.724 1.00 0.00 C ATOM 1752 O LYS C 7 0.635 7.091 8.780 1.00 0.00 O ATOM 1753 CB LYS C 7 2.800 8.203 10.859 1.00 0.00 C ATOM 1754 CG LYS C 7 3.262 7.915 12.291 1.00 0.00 C ATOM 1755 CD LYS C 7 4.713 7.423 12.357 1.00 0.00 C ATOM 1756 CE LYS C 7 5.206 7.359 13.806 1.00 0.00 C ATOM 1757 NZ LYS C 7 5.216 8.684 14.446 1.00 0.00 N ATOM 0 H LYS C 7 3.339 8.257 8.431 1.00 0.00 H new ATOM 0 HA LYS C 7 3.248 6.147 10.438 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.485 8.921 10.408 1.00 0.00 H new ATOM 0 HB3 LYS C 7 1.819 8.677 10.896 1.00 0.00 H new ATOM 0 HG2 LYS C 7 3.162 8.820 12.890 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.608 7.165 12.736 1.00 0.00 H new ATOM 0 HD2 LYS C 7 4.787 6.436 11.900 1.00 0.00 H new ATOM 0 HD3 LYS C 7 5.354 8.090 11.780 1.00 0.00 H new ATOM 0 HE2 LYS C 7 4.566 6.686 14.377 1.00 0.00 H new ATOM 0 HE3 LYS C 7 6.211 6.938 13.828 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 5.851 8.667 15.270 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.551 9.396 13.766 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 4.253 8.927 14.756 1.00 0.00 H new ATOM 1771 N VAL C 8 0.682 5.725 10.567 1.00 0.00 N ATOM 1772 CA VAL C 8 -0.717 5.355 10.391 1.00 0.00 C ATOM 1773 C VAL C 8 -1.586 6.610 10.401 1.00 0.00 C ATOM 1774 O VAL C 8 -1.355 7.524 11.190 1.00 0.00 O ATOM 1775 CB VAL C 8 -1.182 4.340 11.445 1.00 0.00 C ATOM 1776 CG1 VAL C 8 -0.255 3.124 11.452 1.00 0.00 C ATOM 1777 CG2 VAL C 8 -1.241 4.931 12.850 1.00 0.00 C ATOM 0 H VAL C 8 1.154 5.280 11.354 1.00 0.00 H new ATOM 0 HA VAL C 8 -0.821 4.862 9.424 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.194 4.046 11.167 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -0.595 2.412 12.204 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -0.269 2.650 10.470 1.00 0.00 H new ATOM 0 HG13 VAL C 8 0.761 3.442 11.687 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -1.576 4.168 13.552 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -0.250 5.281 13.140 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.939 5.768 12.864 1.00 0.00 H new ATOM 1787 N GLY C 9 -2.587 6.657 9.520 1.00 0.00 N ATOM 1788 CA GLY C 9 -3.495 7.789 9.434 1.00 0.00 C ATOM 1789 C GLY C 9 -3.105 8.785 8.342 1.00 0.00 C ATOM 1790 O GLY C 9 -3.788 9.791 8.172 1.00 0.00 O ATOM 0 H GLY C 9 -2.786 5.913 8.852 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -4.504 7.425 9.242 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -3.519 8.303 10.395 1.00 0.00 H new ATOM 1794 N GLU C 10 -2.021 8.524 7.599 1.00 0.00 N ATOM 1795 CA GLU C 10 -1.589 9.405 6.516 1.00 0.00 C ATOM 1796 C GLU C 10 -1.712 8.691 5.161 1.00 0.00 C ATOM 1797 O GLU C 10 -2.190 7.558 5.103 1.00 0.00 O ATOM 1798 CB GLU C 10 -0.171 9.905 6.791 1.00 0.00 C ATOM 1799 CG GLU C 10 -0.116 10.703 8.095 1.00 0.00 C ATOM 1800 CD GLU C 10 1.293 11.218 8.365 1.00 0.00 C ATOM 1801 OE1 GLU C 10 2.222 10.379 8.397 1.00 0.00 O ATOM 1802 OE2 GLU C 10 1.438 12.448 8.533 1.00 0.00 O ATOM 0 H GLU C 10 -1.428 7.705 7.733 1.00 0.00 H new ATOM 0 HA GLU C 10 -2.240 10.278 6.470 1.00 0.00 H new ATOM 0 HB2 GLU C 10 0.512 9.058 6.849 1.00 0.00 H new ATOM 0 HB3 GLU C 10 0.165 10.530 5.963 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -0.809 11.543 8.041 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -0.442 10.074 8.924 1.00 0.00 H new ATOM 1809 N SER C 11 -1.286 9.342 4.068 1.00 0.00 N ATOM 1810 CA SER C 11 -1.569 8.835 2.728 1.00 0.00 C ATOM 1811 C SER C 11 -0.400 8.972 1.753 1.00 0.00 C ATOM 1812 O SER C 11 0.597 9.637 2.037 1.00 0.00 O ATOM 1813 CB SER C 11 -2.780 9.585 2.169 1.00 0.00 C ATOM 1814 OG SER C 11 -3.882 9.462 3.039 1.00 0.00 O ATOM 0 H SER C 11 -0.751 10.210 4.090 1.00 0.00 H new ATOM 0 HA SER C 11 -1.762 7.767 2.827 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.532 10.638 2.033 1.00 0.00 H new ATOM 0 HB3 SER C 11 -3.039 9.189 1.187 1.00 0.00 H new ATOM 0 HG SER C 11 -4.648 9.948 2.668 1.00 0.00 H new ATOM 1820 N ILE C 12 -0.546 8.321 0.592 1.00 0.00 N ATOM 1821 CA ILE C 12 0.429 8.255 -0.495 1.00 0.00 C ATOM 1822 C ILE C 12 -0.352 8.253 -1.815 1.00 0.00 C ATOM 1823 O ILE C 12 -1.562 8.038 -1.807 1.00 0.00 O ATOM 1824 CB ILE C 12 1.294 6.987 -0.328 1.00 0.00 C ATOM 1825 CG1 ILE C 12 2.000 7.011 1.037 1.00 0.00 C ATOM 1826 CG2 ILE C 12 2.335 6.852 -1.444 1.00 0.00 C ATOM 1827 CD1 ILE C 12 2.910 5.800 1.250 1.00 0.00 C ATOM 0 H ILE C 12 -1.396 7.799 0.378 1.00 0.00 H new ATOM 0 HA ILE C 12 1.106 9.109 -0.485 1.00 0.00 H new ATOM 0 HB ILE C 12 0.629 6.126 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE C 12 2.590 7.924 1.121 1.00 0.00 H new ATOM 0 HG13 ILE C 12 1.251 7.042 1.829 1.00 0.00 H new ATOM 0 HG21 ILE C 12 2.921 5.947 -1.287 1.00 0.00 H new ATOM 0 HG22 ILE C 12 1.830 6.795 -2.408 1.00 0.00 H new ATOM 0 HG23 ILE C 12 2.996 7.719 -1.432 1.00 0.00 H new ATOM 0 HD11 ILE C 12 3.383 5.868 2.230 1.00 0.00 H new ATOM 0 HD12 ILE C 12 2.318 4.886 1.196 1.00 0.00 H new ATOM 0 HD13 ILE C 12 3.678 5.781 0.477 1.00 0.00 H new ATOM 1839 N ASN C 13 0.314 8.495 -2.952 1.00 0.00 N ATOM 1840 CA ASN C 13 -0.357 8.586 -4.244 1.00 0.00 C ATOM 1841 C ASN C 13 0.407 7.862 -5.350 1.00 0.00 C ATOM 1842 O ASN C 13 1.625 7.699 -5.282 1.00 0.00 O ATOM 1843 CB ASN C 13 -0.534 10.057 -4.610 1.00 0.00 C ATOM 1844 CG ASN C 13 -1.771 10.634 -3.941 1.00 0.00 C ATOM 1845 OD1 ASN C 13 -1.682 11.328 -2.936 1.00 0.00 O ATOM 1846 ND2 ASN C 13 -2.941 10.342 -4.505 1.00 0.00 N ATOM 0 H ASN C 13 1.324 8.631 -2.997 1.00 0.00 H new ATOM 0 HA ASN C 13 -1.326 8.096 -4.154 1.00 0.00 H new ATOM 0 HB2 ASN C 13 0.347 10.621 -4.304 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -0.619 10.160 -5.692 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -3.806 10.700 -4.100 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -2.973 9.760 -5.342 1.00 0.00 H new ATOM 1853 N ILE C 14 -0.336 7.426 -6.373 1.00 0.00 N ATOM 1854 CA ILE C 14 0.195 6.710 -7.524 1.00 0.00 C ATOM 1855 C ILE C 14 -0.571 7.159 -8.772 1.00 0.00 C ATOM 1856 O ILE C 14 -1.768 7.445 -8.706 1.00 0.00 O ATOM 1857 CB ILE C 14 0.033 5.196 -7.314 1.00 0.00 C ATOM 1858 CG1 ILE C 14 0.714 4.755 -6.008 1.00 0.00 C ATOM 1859 CG2 ILE C 14 0.631 4.438 -8.503 1.00 0.00 C ATOM 1860 CD1 ILE C 14 0.552 3.258 -5.744 1.00 0.00 C ATOM 0 H ILE C 14 -1.345 7.567 -6.419 1.00 0.00 H new ATOM 0 HA ILE C 14 1.256 6.929 -7.647 1.00 0.00 H new ATOM 0 HB ILE C 14 -1.030 4.966 -7.242 1.00 0.00 H new ATOM 0 HG12 ILE C 14 1.775 5.001 -6.054 1.00 0.00 H new ATOM 0 HG13 ILE C 14 0.293 5.316 -5.174 1.00 0.00 H new ATOM 0 HG21 ILE C 14 0.513 3.366 -8.348 1.00 0.00 H new ATOM 0 HG22 ILE C 14 0.116 4.731 -9.418 1.00 0.00 H new ATOM 0 HG23 ILE C 14 1.691 4.677 -8.591 1.00 0.00 H new ATOM 0 HD11 ILE C 14 1.050 2.997 -4.810 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.508 3.014 -5.670 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.998 2.694 -6.563 1.00 0.00 H new ATOM 1872 N GLY C 15 0.122 7.219 -9.913 1.00 0.00 N ATOM 1873 CA GLY C 15 -0.478 7.659 -11.160 1.00 0.00 C ATOM 1874 C GLY C 15 -1.095 9.043 -11.002 1.00 0.00 C ATOM 1875 O GLY C 15 -0.547 9.906 -10.312 1.00 0.00 O ATOM 0 H GLY C 15 1.107 6.964 -9.991 1.00 0.00 H new ATOM 0 HA2 GLY C 15 0.278 7.680 -11.945 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -1.243 6.948 -11.472 1.00 0.00 H new ATOM 1879 N ASP C 16 -2.242 9.248 -11.646 1.00 0.00 N ATOM 1880 CA ASP C 16 -3.002 10.486 -11.567 1.00 0.00 C ATOM 1881 C ASP C 16 -4.457 10.173 -11.222 1.00 0.00 C ATOM 1882 O ASP C 16 -5.317 11.047 -11.292 1.00 0.00 O ATOM 1883 CB ASP C 16 -2.894 11.242 -12.895 1.00 0.00 C ATOM 1884 CG ASP C 16 -1.448 11.607 -13.217 1.00 0.00 C ATOM 1885 OD1 ASP C 16 -0.984 12.646 -12.696 1.00 0.00 O ATOM 1886 OD2 ASP C 16 -0.816 10.846 -13.982 1.00 0.00 O ATOM 0 H ASP C 16 -2.673 8.545 -12.246 1.00 0.00 H new ATOM 0 HA ASP C 16 -2.595 11.122 -10.781 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -3.303 10.628 -13.698 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -3.497 12.149 -12.848 1.00 0.00 H new ATOM 1891 N ASP C 17 -4.727 8.917 -10.847 1.00 0.00 N ATOM 1892 CA ASP C 17 -6.065 8.429 -10.562 1.00 0.00 C ATOM 1893 C ASP C 17 -6.079 7.466 -9.371 1.00 0.00 C ATOM 1894 O ASP C 17 -7.112 6.843 -9.119 1.00 0.00 O ATOM 1895 CB ASP C 17 -6.629 7.734 -11.803 1.00 0.00 C ATOM 1896 CG ASP C 17 -6.748 8.688 -12.989 1.00 0.00 C ATOM 1897 OD1 ASP C 17 -7.743 9.447 -13.017 1.00 0.00 O ATOM 1898 OD2 ASP C 17 -5.850 8.653 -13.859 1.00 0.00 O ATOM 0 H ASP C 17 -4.004 8.206 -10.734 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.687 9.284 -10.299 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.985 6.897 -12.074 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -7.610 7.319 -11.572 1.00 0.00 H new ATOM 1903 N ILE C 18 -4.969 7.323 -8.634 1.00 0.00 N ATOM 1904 CA ILE C 18 -4.928 6.395 -7.509 1.00 0.00 C ATOM 1905 C ILE C 18 -4.370 7.072 -6.259 1.00 0.00 C ATOM 1906 O ILE C 18 -3.506 7.949 -6.336 1.00 0.00 O ATOM 1907 CB ILE C 18 -4.099 5.145 -7.861 1.00 0.00 C ATOM 1908 CG1 ILE C 18 -4.626 4.418 -9.106 1.00 0.00 C ATOM 1909 CG2 ILE C 18 -4.133 4.150 -6.696 1.00 0.00 C ATOM 1910 CD1 ILE C 18 -3.954 4.924 -10.384 1.00 0.00 C ATOM 0 H ILE C 18 -4.101 7.833 -8.798 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.950 6.082 -7.298 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.086 5.494 -8.060 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -4.452 3.347 -9.003 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -5.704 4.560 -9.181 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -3.545 3.269 -6.953 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.715 4.619 -5.805 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -5.164 3.854 -6.501 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -4.354 4.385 -11.243 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.150 5.990 -10.501 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.879 4.758 -10.320 1.00 0.00 H new ATOM 1922 N THR C 19 -4.880 6.648 -5.100 1.00 0.00 N ATOM 1923 CA THR C 19 -4.447 7.117 -3.794 1.00 0.00 C ATOM 1924 C THR C 19 -4.359 5.917 -2.858 1.00 0.00 C ATOM 1925 O THR C 19 -5.033 4.911 -3.072 1.00 0.00 O ATOM 1926 CB THR C 19 -5.443 8.153 -3.259 1.00 0.00 C ATOM 1927 OG1 THR C 19 -5.633 9.183 -4.202 1.00 0.00 O ATOM 1928 CG2 THR C 19 -4.961 8.786 -1.959 1.00 0.00 C ATOM 0 H THR C 19 -5.624 5.952 -5.049 1.00 0.00 H new ATOM 0 HA THR C 19 -3.470 7.594 -3.865 1.00 0.00 H new ATOM 0 HB THR C 19 -6.378 7.624 -3.073 1.00 0.00 H new ATOM 0 HG1 THR C 19 -6.272 9.837 -3.848 1.00 0.00 H new ATOM 0 HG21 THR C 19 -5.696 9.514 -1.614 1.00 0.00 H new ATOM 0 HG22 THR C 19 -4.835 8.012 -1.202 1.00 0.00 H new ATOM 0 HG23 THR C 19 -4.007 9.286 -2.129 1.00 0.00 H new ATOM 1936 N ILE C 20 -3.527 6.025 -1.820 1.00 0.00 N ATOM 1937 CA ILE C 20 -3.273 4.954 -0.869 1.00 0.00 C ATOM 1938 C ILE C 20 -3.326 5.552 0.532 1.00 0.00 C ATOM 1939 O ILE C 20 -2.941 6.704 0.719 1.00 0.00 O ATOM 1940 CB ILE C 20 -1.882 4.356 -1.131 1.00 0.00 C ATOM 1941 CG1 ILE C 20 -1.690 3.887 -2.579 1.00 0.00 C ATOM 1942 CG2 ILE C 20 -1.605 3.196 -0.169 1.00 0.00 C ATOM 1943 CD1 ILE C 20 -2.570 2.692 -2.940 1.00 0.00 C ATOM 0 H ILE C 20 -3.004 6.877 -1.618 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.017 4.164 -0.970 1.00 0.00 H new ATOM 0 HB ILE C 20 -1.167 5.160 -0.957 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -1.912 4.713 -3.255 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -0.644 3.621 -2.734 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -0.615 2.785 -0.370 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.646 3.558 0.858 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.356 2.419 -0.310 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -2.389 2.407 -3.976 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -2.331 1.853 -2.286 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.619 2.962 -2.816 1.00 0.00 H new ATOM 1955 N THR C 21 -3.793 4.777 1.513 1.00 0.00 N ATOM 1956 CA THR C 21 -3.917 5.257 2.881 1.00 0.00 C ATOM 1957 C THR C 21 -3.519 4.152 3.848 1.00 0.00 C ATOM 1958 O THR C 21 -4.100 3.067 3.833 1.00 0.00 O ATOM 1959 CB THR C 21 -5.360 5.696 3.149 1.00 0.00 C ATOM 1960 OG1 THR C 21 -5.804 6.577 2.137 1.00 0.00 O ATOM 1961 CG2 THR C 21 -5.469 6.411 4.495 1.00 0.00 C ATOM 0 H THR C 21 -4.091 3.811 1.379 1.00 0.00 H new ATOM 0 HA THR C 21 -3.256 6.112 3.025 1.00 0.00 H new ATOM 0 HB THR C 21 -5.980 4.800 3.160 1.00 0.00 H new ATOM 0 HG1 THR C 21 -6.728 6.848 2.321 1.00 0.00 H new ATOM 0 HG21 THR C 21 -6.503 6.713 4.664 1.00 0.00 H new ATOM 0 HG22 THR C 21 -5.154 5.737 5.292 1.00 0.00 H new ATOM 0 HG23 THR C 21 -4.829 7.293 4.491 1.00 0.00 H new ATOM 1969 N ILE C 22 -2.525 4.427 4.697 1.00 0.00 N ATOM 1970 CA ILE C 22 -2.082 3.487 5.713 1.00 0.00 C ATOM 1971 C ILE C 22 -3.072 3.539 6.880 1.00 0.00 C ATOM 1972 O ILE C 22 -2.914 4.322 7.817 1.00 0.00 O ATOM 1973 CB ILE C 22 -0.623 3.775 6.118 1.00 0.00 C ATOM 1974 CG1 ILE C 22 -0.196 2.961 7.341 1.00 0.00 C ATOM 1975 CG2 ILE C 22 -0.367 5.255 6.403 1.00 0.00 C ATOM 1976 CD1 ILE C 22 -0.425 1.468 7.128 1.00 0.00 C ATOM 0 H ILE C 22 -2.010 5.307 4.694 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.076 2.467 5.330 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.027 3.478 5.255 1.00 0.00 H new ATOM 0 HG12 ILE C 22 0.858 3.142 7.550 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -0.756 3.295 8.215 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.677 5.396 6.683 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -0.586 5.841 5.510 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -1.010 5.585 7.219 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -0.110 0.921 8.017 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -1.484 1.285 6.945 1.00 0.00 H new ATOM 0 HD13 ILE C 22 0.155 1.130 6.270 1.00 0.00 H new ATOM 1988 N LEU C 23 -4.105 2.692 6.810 1.00 0.00 N ATOM 1989 CA LEU C 23 -5.182 2.695 7.790 1.00 0.00 C ATOM 1990 C LEU C 23 -4.680 2.284 9.172 1.00 0.00 C ATOM 1991 O LEU C 23 -5.218 2.743 10.176 1.00 0.00 O ATOM 1992 CB LEU C 23 -6.291 1.742 7.338 1.00 0.00 C ATOM 1993 CG LEU C 23 -6.767 2.023 5.915 1.00 0.00 C ATOM 1994 CD1 LEU C 23 -7.904 1.071 5.575 1.00 0.00 C ATOM 1995 CD2 LEU C 23 -7.286 3.447 5.750 1.00 0.00 C ATOM 0 H LEU C 23 -4.212 1.992 6.076 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.572 3.710 7.862 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.929 0.716 7.400 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.136 1.824 8.022 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.912 1.886 5.253 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -8.250 1.265 4.560 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.551 0.042 5.648 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -8.727 1.223 6.274 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.613 3.598 4.721 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.126 3.608 6.425 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -6.490 4.154 5.986 1.00 0.00 H new ATOM 2007 N GLY C 24 -3.656 1.426 9.232 1.00 0.00 N ATOM 2008 CA GLY C 24 -3.059 1.074 10.514 1.00 0.00 C ATOM 2009 C GLY C 24 -2.283 -0.238 10.479 1.00 0.00 C ATOM 2010 O GLY C 24 -2.086 -0.817 9.412 1.00 0.00 O ATOM 0 H GLY C 24 -3.233 0.973 8.422 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -2.390 1.875 10.827 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -3.845 1.003 11.266 1.00 0.00 H new ATOM 2014 N VAL C 25 -1.842 -0.699 11.655 1.00 0.00 N ATOM 2015 CA VAL C 25 -1.132 -1.967 11.785 1.00 0.00 C ATOM 2016 C VAL C 25 -1.666 -2.738 12.988 1.00 0.00 C ATOM 2017 O VAL C 25 -2.290 -2.158 13.876 1.00 0.00 O ATOM 2018 CB VAL C 25 0.388 -1.748 11.911 1.00 0.00 C ATOM 2019 CG1 VAL C 25 0.885 -0.684 10.931 1.00 0.00 C ATOM 2020 CG2 VAL C 25 0.788 -1.343 13.331 1.00 0.00 C ATOM 0 H VAL C 25 -1.969 -0.203 12.537 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.305 -2.552 10.882 1.00 0.00 H new ATOM 0 HB VAL C 25 0.855 -2.703 11.671 1.00 0.00 H new ATOM 0 HG11 VAL C 25 1.961 -0.556 11.048 1.00 0.00 H new ATOM 0 HG12 VAL C 25 0.666 -0.998 9.911 1.00 0.00 H new ATOM 0 HG13 VAL C 25 0.383 0.262 11.135 1.00 0.00 H new ATOM 0 HG21 VAL C 25 1.867 -1.198 13.378 1.00 0.00 H new ATOM 0 HG22 VAL C 25 0.285 -0.414 13.600 1.00 0.00 H new ATOM 0 HG23 VAL C 25 0.497 -2.128 14.029 1.00 0.00 H new ATOM 2030 N SER C 26 -1.416 -4.047 13.007 1.00 0.00 N ATOM 2031 CA SER C 26 -1.819 -4.928 14.095 1.00 0.00 C ATOM 2032 C SER C 26 -0.811 -6.066 14.183 1.00 0.00 C ATOM 2033 O SER C 26 -0.819 -6.965 13.343 1.00 0.00 O ATOM 2034 CB SER C 26 -3.219 -5.490 13.825 1.00 0.00 C ATOM 2035 OG SER C 26 -4.158 -4.448 13.678 1.00 0.00 O ATOM 0 H SER C 26 -0.921 -4.528 12.256 1.00 0.00 H new ATOM 0 HA SER C 26 -1.846 -4.375 15.034 1.00 0.00 H new ATOM 0 HB2 SER C 26 -3.203 -6.101 12.922 1.00 0.00 H new ATOM 0 HB3 SER C 26 -3.518 -6.142 14.646 1.00 0.00 H new ATOM 0 HG SER C 26 -5.044 -4.828 13.505 1.00 0.00 H new ATOM 2041 N GLY C 27 0.060 -6.032 15.194 1.00 0.00 N ATOM 2042 CA GLY C 27 1.154 -6.987 15.292 1.00 0.00 C ATOM 2043 C GLY C 27 2.137 -6.734 14.161 1.00 0.00 C ATOM 2044 O GLY C 27 2.995 -5.867 14.278 1.00 0.00 O ATOM 0 H GLY C 27 0.025 -5.352 15.953 1.00 0.00 H new ATOM 0 HA2 GLY C 27 1.655 -6.888 16.255 1.00 0.00 H new ATOM 0 HA3 GLY C 27 0.770 -8.006 15.236 1.00 0.00 H new ATOM 2048 N GLN C 28 2.000 -7.497 13.074 1.00 0.00 N ATOM 2049 CA GLN C 28 2.784 -7.308 11.863 1.00 0.00 C ATOM 2050 C GLN C 28 1.873 -7.161 10.651 1.00 0.00 C ATOM 2051 O GLN C 28 2.369 -6.995 9.540 1.00 0.00 O ATOM 2052 CB GLN C 28 3.762 -8.469 11.660 1.00 0.00 C ATOM 2053 CG GLN C 28 4.914 -8.483 12.660 1.00 0.00 C ATOM 2054 CD GLN C 28 5.826 -7.262 12.526 1.00 0.00 C ATOM 2055 OE1 GLN C 28 6.872 -7.332 11.895 1.00 0.00 O ATOM 2056 NE2 GLN C 28 5.441 -6.133 13.115 1.00 0.00 N ATOM 0 H GLN C 28 1.335 -8.268 13.015 1.00 0.00 H new ATOM 0 HA GLN C 28 3.362 -6.390 11.974 1.00 0.00 H new ATOM 0 HB2 GLN C 28 3.216 -9.409 11.735 1.00 0.00 H new ATOM 0 HB3 GLN C 28 4.170 -8.417 10.650 1.00 0.00 H new ATOM 0 HG2 GLN C 28 4.511 -8.521 13.672 1.00 0.00 H new ATOM 0 HG3 GLN C 28 5.503 -9.389 12.517 1.00 0.00 H new ATOM 0 HE21 GLN C 28 4.564 -6.102 13.635 1.00 0.00 H new ATOM 0 HE22 GLN C 28 6.023 -5.298 13.047 1.00 0.00 H new ATOM 2065 N GLN C 29 0.552 -7.216 10.853 1.00 0.00 N ATOM 2066 CA GLN C 29 -0.382 -6.909 9.781 1.00 0.00 C ATOM 2067 C GLN C 29 -0.371 -5.410 9.528 1.00 0.00 C ATOM 2068 O GLN C 29 0.046 -4.627 10.381 1.00 0.00 O ATOM 2069 CB GLN C 29 -1.810 -7.308 10.143 1.00 0.00 C ATOM 2070 CG GLN C 29 -2.041 -8.808 10.026 1.00 0.00 C ATOM 2071 CD GLN C 29 -3.536 -9.093 10.016 1.00 0.00 C ATOM 2072 OE1 GLN C 29 -4.104 -9.421 8.980 1.00 0.00 O ATOM 2073 NE2 GLN C 29 -4.184 -8.971 11.171 1.00 0.00 N ATOM 0 H GLN C 29 0.116 -7.468 11.740 1.00 0.00 H new ATOM 0 HA GLN C 29 -0.070 -7.469 8.900 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -2.026 -6.988 11.162 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -2.507 -6.784 9.490 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -1.582 -9.187 9.113 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -1.567 -9.326 10.860 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -3.678 -8.696 12.013 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -5.187 -9.152 11.215 1.00 0.00 H new ATOM 2082 N VAL C 30 -0.836 -5.019 8.345 1.00 0.00 N ATOM 2083 CA VAL C 30 -0.989 -3.628 7.973 1.00 0.00 C ATOM 2084 C VAL C 30 -2.275 -3.517 7.177 1.00 0.00 C ATOM 2085 O VAL C 30 -2.407 -4.147 6.128 1.00 0.00 O ATOM 2086 CB VAL C 30 0.207 -3.190 7.123 1.00 0.00 C ATOM 2087 CG1 VAL C 30 0.066 -1.711 6.771 1.00 0.00 C ATOM 2088 CG2 VAL C 30 1.525 -3.377 7.877 1.00 0.00 C ATOM 0 H VAL C 30 -1.119 -5.672 7.614 1.00 0.00 H new ATOM 0 HA VAL C 30 -1.030 -2.985 8.852 1.00 0.00 H new ATOM 0 HB VAL C 30 0.220 -3.806 6.224 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.917 -1.398 6.166 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.855 -1.557 6.209 1.00 0.00 H new ATOM 0 HG13 VAL C 30 0.035 -1.120 7.687 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.354 -3.057 7.246 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.511 -2.779 8.788 1.00 0.00 H new ATOM 0 HG23 VAL C 30 1.651 -4.429 8.135 1.00 0.00 H new ATOM 2098 N ARG C 31 -3.224 -2.717 7.671 1.00 0.00 N ATOM 2099 CA ARG C 31 -4.413 -2.390 6.907 1.00 0.00 C ATOM 2100 C ARG C 31 -4.031 -1.283 5.944 1.00 0.00 C ATOM 2101 O ARG C 31 -3.622 -0.199 6.371 1.00 0.00 O ATOM 2102 CB ARG C 31 -5.551 -1.899 7.801 1.00 0.00 C ATOM 2103 CG ARG C 31 -6.298 -3.042 8.483 1.00 0.00 C ATOM 2104 CD ARG C 31 -7.712 -2.587 8.854 1.00 0.00 C ATOM 2105 NE ARG C 31 -7.717 -1.470 9.803 1.00 0.00 N ATOM 2106 CZ ARG C 31 -8.830 -0.819 10.156 1.00 0.00 C ATOM 2107 NH1 ARG C 31 -10.011 -1.178 9.654 1.00 0.00 N ATOM 2108 NH2 ARG C 31 -8.770 0.198 11.008 1.00 0.00 N ATOM 0 H ARG C 31 -3.185 -2.289 8.596 1.00 0.00 H new ATOM 0 HA ARG C 31 -4.766 -3.283 6.392 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -5.148 -1.229 8.561 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.253 -1.317 7.203 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -6.346 -3.905 7.819 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -5.761 -3.358 9.377 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -8.243 -2.292 7.949 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -8.258 -3.426 9.285 1.00 0.00 H new ATOM 0 HE ARG C 31 -6.831 -1.176 10.213 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -10.070 -1.955 8.995 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -10.856 -0.676 9.928 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -7.872 0.486 11.396 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -9.622 0.691 11.274 1.00 0.00 H new ATOM 2122 N ILE C 32 -4.172 -1.570 4.652 1.00 0.00 N ATOM 2123 CA ILE C 32 -3.838 -0.644 3.588 1.00 0.00 C ATOM 2124 C ILE C 32 -5.106 -0.373 2.789 1.00 0.00 C ATOM 2125 O ILE C 32 -5.697 -1.295 2.230 1.00 0.00 O ATOM 2126 CB ILE C 32 -2.752 -1.243 2.684 1.00 0.00 C ATOM 2127 CG1 ILE C 32 -1.604 -1.833 3.517 1.00 0.00 C ATOM 2128 CG2 ILE C 32 -2.240 -0.152 1.737 1.00 0.00 C ATOM 2129 CD1 ILE C 32 -0.457 -2.361 2.652 1.00 0.00 C ATOM 0 H ILE C 32 -4.527 -2.466 4.317 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.450 0.286 4.003 1.00 0.00 H new ATOM 0 HB ILE C 32 -3.177 -2.059 2.100 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -1.221 -1.069 4.193 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -1.989 -2.643 4.136 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -1.467 -0.566 1.089 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.065 0.217 1.128 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -1.823 0.669 2.320 1.00 0.00 H new ATOM 0 HD11 ILE C 32 0.326 -2.766 3.293 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -0.829 -3.146 1.994 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -0.050 -1.547 2.052 1.00 0.00 H new ATOM 2141 N GLY C 33 -5.513 0.896 2.742 1.00 0.00 N ATOM 2142 CA GLY C 33 -6.676 1.319 1.986 1.00 0.00 C ATOM 2143 C GLY C 33 -6.213 1.811 0.623 1.00 0.00 C ATOM 2144 O GLY C 33 -5.102 2.329 0.491 1.00 0.00 O ATOM 0 H GLY C 33 -5.039 1.656 3.231 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -7.376 0.491 1.872 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -7.204 2.112 2.516 1.00 0.00 H new ATOM 2148 N ILE C 34 -7.060 1.651 -0.390 1.00 0.00 N ATOM 2149 CA ILE C 34 -6.744 2.077 -1.740 1.00 0.00 C ATOM 2150 C ILE C 34 -7.970 2.767 -2.312 1.00 0.00 C ATOM 2151 O ILE C 34 -9.098 2.378 -2.021 1.00 0.00 O ATOM 2152 CB ILE C 34 -6.331 0.863 -2.586 1.00 0.00 C ATOM 2153 CG1 ILE C 34 -5.131 0.161 -1.932 1.00 0.00 C ATOM 2154 CG2 ILE C 34 -5.983 1.326 -4.005 1.00 0.00 C ATOM 2155 CD1 ILE C 34 -4.691 -1.092 -2.686 1.00 0.00 C ATOM 0 H ILE C 34 -7.981 1.223 -0.293 1.00 0.00 H new ATOM 0 HA ILE C 34 -5.906 2.774 -1.744 1.00 0.00 H new ATOM 0 HB ILE C 34 -7.157 0.153 -2.642 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -4.295 0.858 -1.877 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -5.389 -0.109 -0.908 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -5.690 0.466 -4.607 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -6.853 1.804 -4.455 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -5.159 2.038 -3.964 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -3.840 -1.543 -2.176 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.515 -1.805 -2.718 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -4.404 -0.823 -3.702 1.00 0.00 H new ATOM 2167 N ASN C 35 -7.745 3.795 -3.127 1.00 0.00 N ATOM 2168 CA ASN C 35 -8.818 4.571 -3.717 1.00 0.00 C ATOM 2169 C ASN C 35 -8.507 4.792 -5.187 1.00 0.00 C ATOM 2170 O ASN C 35 -7.659 5.613 -5.537 1.00 0.00 O ATOM 2171 CB ASN C 35 -8.976 5.880 -2.951 1.00 0.00 C ATOM 2172 CG ASN C 35 -10.230 6.648 -3.353 1.00 0.00 C ATOM 2173 OD1 ASN C 35 -10.926 6.278 -4.295 1.00 0.00 O ATOM 2174 ND2 ASN C 35 -10.523 7.727 -2.638 1.00 0.00 N ATOM 0 H ASN C 35 -6.812 4.109 -3.393 1.00 0.00 H new ATOM 0 HA ASN C 35 -9.768 4.042 -3.651 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -9.011 5.669 -1.882 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.100 6.506 -3.124 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.350 8.280 -2.864 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -9.921 8.004 -1.862 1.00 0.00 H new ATOM 2181 N ALA C 36 -9.207 4.043 -6.038 1.00 0.00 N ATOM 2182 CA ALA C 36 -9.026 4.080 -7.476 1.00 0.00 C ATOM 2183 C ALA C 36 -10.379 3.867 -8.154 1.00 0.00 C ATOM 2184 O ALA C 36 -11.269 3.253 -7.565 1.00 0.00 O ATOM 2185 CB ALA C 36 -8.039 2.974 -7.868 1.00 0.00 C ATOM 0 H ALA C 36 -9.926 3.385 -5.736 1.00 0.00 H new ATOM 0 HA ALA C 36 -8.628 5.043 -7.794 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -7.890 2.986 -8.948 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -7.085 3.143 -7.368 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -8.439 2.006 -7.568 1.00 0.00 H new ATOM 2191 N PRO C 37 -10.553 4.361 -9.382 1.00 0.00 N ATOM 2192 CA PRO C 37 -11.765 4.162 -10.157 1.00 0.00 C ATOM 2193 C PRO C 37 -11.867 2.713 -10.617 1.00 0.00 C ATOM 2194 O PRO C 37 -10.849 2.043 -10.802 1.00 0.00 O ATOM 2195 CB PRO C 37 -11.630 5.104 -11.354 1.00 0.00 C ATOM 2196 CG PRO C 37 -10.120 5.238 -11.543 1.00 0.00 C ATOM 2197 CD PRO C 37 -9.588 5.161 -10.116 1.00 0.00 C ATOM 0 HA PRO C 37 -12.665 4.370 -9.578 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -12.110 4.693 -12.242 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -12.096 6.070 -11.158 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -9.719 4.439 -12.167 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -9.855 6.181 -12.022 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -8.599 4.703 -10.091 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -9.490 6.155 -9.680 1.00 0.00 H new ATOM 2205 N LYS C 38 -13.092 2.216 -10.812 1.00 0.00 N ATOM 2206 CA LYS C 38 -13.308 0.874 -11.341 1.00 0.00 C ATOM 2207 C LYS C 38 -12.798 0.773 -12.778 1.00 0.00 C ATOM 2208 O LYS C 38 -12.849 -0.300 -13.377 1.00 0.00 O ATOM 2209 CB LYS C 38 -14.794 0.504 -11.239 1.00 0.00 C ATOM 2210 CG LYS C 38 -15.231 0.304 -9.780 1.00 0.00 C ATOM 2211 CD LYS C 38 -14.558 -0.882 -9.068 1.00 0.00 C ATOM 2212 CE LYS C 38 -15.079 -2.246 -9.530 1.00 0.00 C ATOM 2213 NZ LYS C 38 -14.542 -2.645 -10.847 1.00 0.00 N ATOM 0 H LYS C 38 -13.950 2.729 -10.609 1.00 0.00 H new ATOM 0 HA LYS C 38 -12.741 0.159 -10.745 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -15.397 1.289 -11.695 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -14.981 -0.410 -11.803 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -15.017 1.215 -9.222 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -16.311 0.161 -9.754 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -13.482 -0.836 -9.239 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -14.714 -0.787 -7.993 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -14.814 -3.001 -8.790 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -16.167 -2.217 -9.580 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -14.241 -3.640 -10.812 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -15.279 -2.531 -11.572 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -13.727 -2.045 -11.086 1.00 0.00 H new ATOM 2227 N ASP C 39 -12.309 1.887 -13.327 1.00 0.00 N ATOM 2228 CA ASP C 39 -11.653 1.942 -14.621 1.00 0.00 C ATOM 2229 C ASP C 39 -10.314 1.194 -14.582 1.00 0.00 C ATOM 2230 O ASP C 39 -9.705 0.945 -15.619 1.00 0.00 O ATOM 2231 CB ASP C 39 -11.428 3.410 -14.980 1.00 0.00 C ATOM 2232 CG ASP C 39 -10.965 3.573 -16.427 1.00 0.00 C ATOM 2233 OD1 ASP C 39 -11.724 3.149 -17.327 1.00 0.00 O ATOM 2234 OD2 ASP C 39 -9.857 4.117 -16.618 1.00 0.00 O ATOM 0 H ASP C 39 -12.363 2.795 -12.866 1.00 0.00 H new ATOM 0 HA ASP C 39 -12.279 1.462 -15.373 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -12.352 3.968 -14.829 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -10.684 3.839 -14.309 1.00 0.00 H new ATOM 2239 N VAL C 40 -9.853 0.841 -13.375 1.00 0.00 N ATOM 2240 CA VAL C 40 -8.604 0.123 -13.164 1.00 0.00 C ATOM 2241 C VAL C 40 -8.797 -0.949 -12.101 1.00 0.00 C ATOM 2242 O VAL C 40 -9.751 -0.891 -11.322 1.00 0.00 O ATOM 2243 CB VAL C 40 -7.472 1.082 -12.766 1.00 0.00 C ATOM 2244 CG1 VAL C 40 -7.327 2.207 -13.791 1.00 0.00 C ATOM 2245 CG2 VAL C 40 -7.700 1.718 -11.398 1.00 0.00 C ATOM 0 H VAL C 40 -10.350 1.053 -12.510 1.00 0.00 H new ATOM 0 HA VAL C 40 -8.318 -0.354 -14.102 1.00 0.00 H new ATOM 0 HB VAL C 40 -6.566 0.477 -12.728 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -6.519 2.873 -13.488 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -7.099 1.782 -14.768 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -8.259 2.769 -13.848 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -6.871 2.387 -11.165 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -8.631 2.285 -11.411 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -7.761 0.938 -10.640 1.00 0.00 H new ATOM 2255 N ALA C 41 -7.900 -1.934 -12.066 1.00 0.00 N ATOM 2256 CA ALA C 41 -8.013 -3.057 -11.151 1.00 0.00 C ATOM 2257 C ALA C 41 -7.090 -2.888 -9.949 1.00 0.00 C ATOM 2258 O ALA C 41 -6.098 -2.163 -10.014 1.00 0.00 O ATOM 2259 CB ALA C 41 -7.665 -4.337 -11.906 1.00 0.00 C ATOM 0 H ALA C 41 -7.079 -1.971 -12.671 1.00 0.00 H new ATOM 0 HA ALA C 41 -9.035 -3.108 -10.774 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -7.745 -5.190 -11.232 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -8.355 -4.467 -12.740 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -6.646 -4.269 -12.286 1.00 0.00 H new ATOM 2265 N VAL C 42 -7.424 -3.566 -8.847 1.00 0.00 N ATOM 2266 CA VAL C 42 -6.572 -3.622 -7.661 1.00 0.00 C ATOM 2267 C VAL C 42 -6.850 -4.919 -6.904 1.00 0.00 C ATOM 2268 O VAL C 42 -8.009 -5.280 -6.713 1.00 0.00 O ATOM 2269 CB VAL C 42 -6.817 -2.378 -6.789 1.00 0.00 C ATOM 2270 CG1 VAL C 42 -8.299 -2.127 -6.533 1.00 0.00 C ATOM 2271 CG2 VAL C 42 -6.128 -2.481 -5.432 1.00 0.00 C ATOM 0 H VAL C 42 -8.294 -4.091 -8.754 1.00 0.00 H new ATOM 0 HA VAL C 42 -5.520 -3.619 -7.946 1.00 0.00 H new ATOM 0 HB VAL C 42 -6.397 -1.550 -7.360 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -8.416 -1.238 -5.913 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -8.812 -1.977 -7.483 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -8.730 -2.986 -6.020 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -6.330 -1.580 -4.852 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -6.509 -3.350 -4.896 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -5.053 -2.586 -5.577 1.00 0.00 H new ATOM 2281 N HIS C 43 -5.796 -5.622 -6.475 1.00 0.00 N ATOM 2282 CA HIS C 43 -5.938 -6.919 -5.822 1.00 0.00 C ATOM 2283 C HIS C 43 -4.723 -7.237 -4.960 1.00 0.00 C ATOM 2284 O HIS C 43 -3.718 -6.529 -5.012 1.00 0.00 O ATOM 2285 CB HIS C 43 -6.039 -8.019 -6.884 1.00 0.00 C ATOM 2286 CG HIS C 43 -7.137 -7.825 -7.889 1.00 0.00 C ATOM 2287 ND1 HIS C 43 -8.471 -8.196 -7.711 1.00 0.00 N ATOM 2288 CD2 HIS C 43 -6.981 -7.254 -9.118 1.00 0.00 C ATOM 2289 CE1 HIS C 43 -9.090 -7.836 -8.849 1.00 0.00 C ATOM 2290 NE2 HIS C 43 -8.225 -7.274 -9.710 1.00 0.00 N ATOM 0 H HIS C 43 -4.830 -5.308 -6.571 1.00 0.00 H new ATOM 0 HA HIS C 43 -6.833 -6.878 -5.201 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -5.088 -8.082 -7.413 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -6.189 -8.975 -6.383 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -8.886 -8.644 -6.894 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.067 -6.865 -9.542 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -10.142 -7.979 -9.045 1.00 0.00 H new ATOM 2298 N ARG C 44 -4.809 -8.310 -4.166 1.00 0.00 N ATOM 2299 CA ARG C 44 -3.645 -8.828 -3.463 1.00 0.00 C ATOM 2300 C ARG C 44 -2.732 -9.503 -4.482 1.00 0.00 C ATOM 2301 O ARG C 44 -3.192 -9.886 -5.559 1.00 0.00 O ATOM 2302 CB ARG C 44 -4.066 -9.838 -2.393 1.00 0.00 C ATOM 2303 CG ARG C 44 -5.116 -9.234 -1.458 1.00 0.00 C ATOM 2304 CD ARG C 44 -5.313 -10.060 -0.185 1.00 0.00 C ATOM 2305 NE ARG C 44 -5.530 -11.489 -0.443 1.00 0.00 N ATOM 2306 CZ ARG C 44 -6.657 -12.030 -0.917 1.00 0.00 C ATOM 2307 NH1 ARG C 44 -7.710 -11.283 -1.231 1.00 0.00 N ATOM 2308 NH2 ARG C 44 -6.736 -13.345 -1.080 1.00 0.00 N ATOM 0 H ARG C 44 -5.671 -8.830 -3.999 1.00 0.00 H new ATOM 0 HA ARG C 44 -3.123 -8.010 -2.968 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -4.468 -10.732 -2.869 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -3.195 -10.148 -1.816 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -4.817 -8.221 -1.187 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -6.066 -9.155 -1.987 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -4.438 -9.943 0.454 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -6.166 -9.665 0.367 1.00 0.00 H new ATOM 0 HE ARG C 44 -4.756 -12.122 -0.244 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -7.671 -10.271 -1.112 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -8.558 -11.722 -1.591 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -5.940 -13.937 -0.844 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -7.593 -13.764 -1.441 1.00 0.00 H new ATOM 2322 N GLU C 45 -1.446 -9.661 -4.164 1.00 0.00 N ATOM 2323 CA GLU C 45 -0.510 -10.306 -5.076 1.00 0.00 C ATOM 2324 C GLU C 45 -0.889 -11.778 -5.288 1.00 0.00 C ATOM 2325 O GLU C 45 -0.529 -12.375 -6.300 1.00 0.00 O ATOM 2326 CB GLU C 45 0.908 -10.123 -4.522 1.00 0.00 C ATOM 2327 CG GLU C 45 1.993 -10.606 -5.490 1.00 0.00 C ATOM 2328 CD GLU C 45 2.350 -12.087 -5.333 1.00 0.00 C ATOM 2329 OE1 GLU C 45 1.823 -12.738 -4.402 1.00 0.00 O ATOM 2330 OE2 GLU C 45 3.161 -12.563 -6.157 1.00 0.00 O ATOM 0 H GLU C 45 -1.033 -9.351 -3.284 1.00 0.00 H new ATOM 0 HA GLU C 45 -0.551 -9.844 -6.063 1.00 0.00 H new ATOM 0 HB2 GLU C 45 1.072 -9.069 -4.297 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.998 -10.667 -3.582 1.00 0.00 H new ATOM 0 HG2 GLU C 45 1.659 -10.429 -6.512 1.00 0.00 H new ATOM 0 HG3 GLU C 45 2.892 -10.008 -5.341 1.00 0.00 H new ATOM 2337 N GLU C 46 -1.621 -12.365 -4.332 1.00 0.00 N ATOM 2338 CA GLU C 46 -2.088 -13.746 -4.416 1.00 0.00 C ATOM 2339 C GLU C 46 -3.397 -13.873 -5.203 1.00 0.00 C ATOM 2340 O GLU C 46 -3.885 -14.980 -5.415 1.00 0.00 O ATOM 2341 CB GLU C 46 -2.254 -14.309 -2.999 1.00 0.00 C ATOM 2342 CG GLU C 46 -3.340 -13.562 -2.222 1.00 0.00 C ATOM 2343 CD GLU C 46 -3.367 -13.973 -0.755 1.00 0.00 C ATOM 2344 OE1 GLU C 46 -2.411 -13.611 -0.037 1.00 0.00 O ATOM 2345 OE2 GLU C 46 -4.347 -14.645 -0.359 1.00 0.00 O ATOM 0 H GLU C 46 -1.905 -11.889 -3.476 1.00 0.00 H new ATOM 0 HA GLU C 46 -1.340 -14.323 -4.960 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -2.508 -15.368 -3.054 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -1.307 -14.236 -2.464 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -3.167 -12.488 -2.296 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -4.312 -13.760 -2.673 1.00 0.00 H new ATOM 2352 N ILE C 47 -3.972 -12.741 -5.632 1.00 0.00 N ATOM 2353 CA ILE C 47 -5.214 -12.698 -6.397 1.00 0.00 C ATOM 2354 C ILE C 47 -4.961 -12.091 -7.766 1.00 0.00 C ATOM 2355 O ILE C 47 -5.584 -12.500 -8.744 1.00 0.00 O ATOM 2356 CB ILE C 47 -6.259 -11.898 -5.616 1.00 0.00 C ATOM 2357 CG1 ILE C 47 -6.700 -12.647 -4.352 1.00 0.00 C ATOM 2358 CG2 ILE C 47 -7.481 -11.604 -6.488 1.00 0.00 C ATOM 2359 CD1 ILE C 47 -7.225 -14.058 -4.631 1.00 0.00 C ATOM 0 H ILE C 47 -3.577 -11.818 -5.452 1.00 0.00 H new ATOM 0 HA ILE C 47 -5.593 -13.709 -6.548 1.00 0.00 H new ATOM 0 HB ILE C 47 -5.795 -10.957 -5.321 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -5.857 -12.711 -3.664 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -7.478 -12.071 -3.850 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -8.210 -11.035 -5.912 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -7.175 -11.025 -7.360 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -7.929 -12.542 -6.815 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -7.519 -14.529 -3.693 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -8.088 -14.001 -5.294 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -6.442 -14.650 -5.105 1.00 0.00 H new ATOM 2371 N TYR C 48 -4.048 -11.120 -7.863 1.00 0.00 N ATOM 2372 CA TYR C 48 -3.746 -10.473 -9.128 1.00 0.00 C ATOM 2373 C TYR C 48 -3.330 -11.498 -10.177 1.00 0.00 C ATOM 2374 O TYR C 48 -3.685 -11.366 -11.349 1.00 0.00 O ATOM 2375 CB TYR C 48 -2.617 -9.468 -8.910 1.00 0.00 C ATOM 2376 CG TYR C 48 -1.990 -9.006 -10.205 1.00 0.00 C ATOM 2377 CD1 TYR C 48 -2.789 -8.511 -11.245 1.00 0.00 C ATOM 2378 CD2 TYR C 48 -0.600 -9.088 -10.363 1.00 0.00 C ATOM 2379 CE1 TYR C 48 -2.203 -8.128 -12.460 1.00 0.00 C ATOM 2380 CE2 TYR C 48 -0.008 -8.689 -11.568 1.00 0.00 C ATOM 2381 CZ TYR C 48 -0.807 -8.211 -12.624 1.00 0.00 C ATOM 2382 OH TYR C 48 -0.227 -7.830 -13.798 1.00 0.00 O ATOM 0 H TYR C 48 -3.507 -10.769 -7.073 1.00 0.00 H new ATOM 0 HA TYR C 48 -4.639 -9.963 -9.489 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -3.004 -8.604 -8.370 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -1.850 -9.920 -8.281 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -3.857 -8.425 -11.110 1.00 0.00 H new ATOM 0 HD2 TYR C 48 0.015 -9.459 -9.556 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -2.822 -7.770 -13.269 1.00 0.00 H new ATOM 0 HE2 TYR C 48 1.064 -8.748 -11.687 1.00 0.00 H new ATOM 0 HH TYR C 48 0.744 -7.952 -13.738 1.00 0.00 H new ATOM 2392 N GLN C 49 -2.579 -12.523 -9.767 1.00 0.00 N ATOM 2393 CA GLN C 49 -2.106 -13.544 -10.687 1.00 0.00 C ATOM 2394 C GLN C 49 -3.272 -14.339 -11.267 1.00 0.00 C ATOM 2395 O GLN C 49 -3.134 -14.952 -12.323 1.00 0.00 O ATOM 2396 CB GLN C 49 -1.165 -14.501 -9.954 1.00 0.00 C ATOM 2397 CG GLN C 49 0.060 -13.770 -9.404 1.00 0.00 C ATOM 2398 CD GLN C 49 0.969 -14.727 -8.644 1.00 0.00 C ATOM 2399 OE1 GLN C 49 1.547 -15.641 -9.222 1.00 0.00 O ATOM 2400 NE2 GLN C 49 1.098 -14.527 -7.338 1.00 0.00 N ATOM 0 H GLN C 49 -2.288 -12.662 -8.799 1.00 0.00 H new ATOM 0 HA GLN C 49 -1.578 -13.049 -11.502 1.00 0.00 H new ATOM 0 HB2 GLN C 49 -1.700 -14.983 -9.136 1.00 0.00 H new ATOM 0 HB3 GLN C 49 -0.844 -15.290 -10.634 1.00 0.00 H new ATOM 0 HG2 GLN C 49 0.613 -13.311 -10.224 1.00 0.00 H new ATOM 0 HG3 GLN C 49 -0.259 -12.964 -8.744 1.00 0.00 H new ATOM 0 HE21 GLN C 49 0.603 -13.757 -6.889 1.00 0.00 H new ATOM 0 HE22 GLN C 49 1.692 -15.144 -6.784 1.00 0.00 H new ATOM 2409 N ARG C 50 -4.422 -14.329 -10.583 1.00 0.00 N ATOM 2410 CA ARG C 50 -5.581 -15.106 -10.994 1.00 0.00 C ATOM 2411 C ARG C 50 -6.421 -14.354 -12.021 1.00 0.00 C ATOM 2412 O ARG C 50 -7.024 -14.981 -12.890 1.00 0.00 O ATOM 2413 CB ARG C 50 -6.400 -15.442 -9.747 1.00 0.00 C ATOM 2414 CG ARG C 50 -7.551 -16.372 -10.110 1.00 0.00 C ATOM 2415 CD ARG C 50 -8.311 -16.747 -8.840 1.00 0.00 C ATOM 2416 NE ARG C 50 -7.567 -17.717 -8.028 1.00 0.00 N ATOM 2417 CZ ARG C 50 -8.135 -18.718 -7.350 1.00 0.00 C ATOM 2418 NH1 ARG C 50 -9.449 -18.920 -7.387 1.00 0.00 N ATOM 2419 NH2 ARG C 50 -7.380 -19.530 -6.618 1.00 0.00 N ATOM 0 H ARG C 50 -4.568 -13.783 -9.734 1.00 0.00 H new ATOM 0 HA ARG C 50 -5.251 -16.026 -11.477 1.00 0.00 H new ATOM 0 HB2 ARG C 50 -5.762 -15.915 -9.000 1.00 0.00 H new ATOM 0 HB3 ARG C 50 -6.789 -14.527 -9.301 1.00 0.00 H new ATOM 0 HG2 ARG C 50 -8.220 -15.883 -10.818 1.00 0.00 H new ATOM 0 HG3 ARG C 50 -7.170 -17.269 -10.599 1.00 0.00 H new ATOM 0 HD2 ARG C 50 -8.501 -15.850 -8.251 1.00 0.00 H new ATOM 0 HD3 ARG C 50 -9.282 -17.165 -9.107 1.00 0.00 H new ATOM 0 HE ARG C 50 -6.553 -17.621 -7.978 1.00 0.00 H new ATOM 0 HH11 ARG C 50 -10.044 -18.304 -7.941 1.00 0.00 H new ATOM 0 HH12 ARG C 50 -9.862 -19.691 -6.861 1.00 0.00 H new ATOM 0 HH21 ARG C 50 -6.371 -19.388 -6.575 1.00 0.00 H new ATOM 0 HH22 ARG C 50 -7.810 -20.296 -6.099 1.00 0.00 H new ATOM 2433 N ILE C 51 -6.469 -13.020 -11.945 1.00 0.00 N ATOM 2434 CA ILE C 51 -7.155 -12.216 -12.951 1.00 0.00 C ATOM 2435 C ILE C 51 -6.427 -12.378 -14.292 1.00 0.00 C ATOM 2436 O ILE C 51 -6.986 -12.085 -15.348 1.00 0.00 O ATOM 2437 CB ILE C 51 -7.261 -10.744 -12.517 1.00 0.00 C ATOM 2438 CG1 ILE C 51 -8.259 -10.544 -11.369 1.00 0.00 C ATOM 2439 CG2 ILE C 51 -7.784 -9.870 -13.661 1.00 0.00 C ATOM 2440 CD1 ILE C 51 -7.764 -11.095 -10.037 1.00 0.00 C ATOM 0 H ILE C 51 -6.039 -12.478 -11.195 1.00 0.00 H new ATOM 0 HA ILE C 51 -8.180 -12.568 -13.065 1.00 0.00 H new ATOM 0 HB ILE C 51 -6.253 -10.465 -12.210 1.00 0.00 H new ATOM 0 HG12 ILE C 51 -8.467 -9.480 -11.259 1.00 0.00 H new ATOM 0 HG13 ILE C 51 -9.201 -11.028 -11.627 1.00 0.00 H new ATOM 0 HG21 ILE C 51 -7.849 -8.834 -13.327 1.00 0.00 H new ATOM 0 HG22 ILE C 51 -7.103 -9.936 -14.510 1.00 0.00 H new ATOM 0 HG23 ILE C 51 -8.773 -10.217 -13.962 1.00 0.00 H new ATOM 0 HD11 ILE C 51 -8.517 -10.921 -9.269 1.00 0.00 H new ATOM 0 HD12 ILE C 51 -7.583 -12.166 -10.131 1.00 0.00 H new ATOM 0 HD13 ILE C 51 -6.838 -10.593 -9.757 1.00 0.00 H new