USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 780 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 X(o=0,f=-0.28) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 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=-0.00132 USER MOD Set 3.1: A 13 ASN : amide:sc= 0.209 K(o=0.21,f=-1.3) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0.773 USER MOD Set 4.2: A 21 THR OG1 : rot -71:sc= 0.884 USER MOD Single : A 1 MET CE :methyl -125:sc= -0.0369 (180deg=-0.407) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.0589 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 160:sc= 0.0364 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -140:sc= 0.33 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.359 F(o=-1.1,f=-0.36) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 35 ASN : amide:sc=-0.00966 K(o=-0.0097,f=-1.1) USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.0279 (180deg=-0.266) USER MOD Single : A 43 HIS : no HE2:sc= -1.82 K(o=-1.8,f=-3.5!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -123:sc= -0.0347 (180deg=-0.424) USER MOD Single : C 1 MET N :NH3+ 137:sc= 0.00708 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 140:sc= 0.213 USER MOD Single : C 7 LYS NZ :NH3+ -132:sc=-0.000152 (180deg=-1.22) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN :FLIP amide:sc= -0.386 F(o=-0.92,f=-0.39) USER MOD Single : C 29 GLN : amide:sc= -0.621 K(o=-0.62,f=-1.3) USER MOD Single : C 35 ASN : amide:sc= -0.0461 K(o=-0.046,f=-1.5) USER MOD Single : C 38 LYS NZ :NH3+ 159:sc= -0.0651 (180deg=-0.472) USER MOD Single : C 43 HIS : no HE2:sc= -1.82 K(o=-1.8,f=-3.4!) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.999 -5.358 -11.487 1.00 0.00 N ATOM 2 CA MET A 1 -5.867 -4.500 -10.295 1.00 0.00 C ATOM 3 C MET A 1 -6.970 -4.805 -9.295 1.00 0.00 C ATOM 4 O MET A 1 -8.070 -5.186 -9.693 1.00 0.00 O ATOM 5 CB MET A 1 -5.956 -3.023 -10.688 1.00 0.00 C ATOM 6 CG MET A 1 -5.522 -2.077 -9.571 1.00 0.00 C ATOM 7 SD MET A 1 -3.739 -1.822 -9.470 1.00 0.00 S ATOM 8 CE MET A 1 -3.623 -0.718 -10.895 1.00 0.00 C ATOM 0 H1 MET A 1 -5.924 -4.775 -12.345 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.243 -6.072 -11.486 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.924 -5.834 -11.472 1.00 0.00 H new ATOM 0 HA MET A 1 -4.896 -4.703 -9.843 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.333 -2.849 -11.565 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.982 -2.791 -10.974 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.008 -1.112 -9.718 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.876 -2.471 -8.618 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.895 -1.113 -11.603 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.597 -0.645 -11.379 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.307 0.271 -10.564 1.00 0.00 H new ATOM 20 N LEU A 2 -6.681 -4.637 -8.006 1.00 0.00 N ATOM 21 CA LEU A 2 -7.665 -4.777 -6.946 1.00 0.00 C ATOM 22 C LEU A 2 -7.546 -3.533 -6.069 1.00 0.00 C ATOM 23 O LEU A 2 -6.507 -3.298 -5.453 1.00 0.00 O ATOM 24 CB LEU A 2 -7.399 -6.095 -6.208 1.00 0.00 C ATOM 25 CG LEU A 2 -8.398 -6.423 -5.091 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.049 -5.682 -3.803 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.834 -6.099 -5.488 1.00 0.00 C ATOM 0 H LEU A 2 -5.748 -4.398 -7.670 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.692 -4.834 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.407 -6.909 -6.933 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.397 -6.059 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.325 -7.497 -4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.775 -5.935 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.052 -5.974 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.071 -4.607 -3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.504 -6.348 -4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.918 -5.036 -5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.108 -6.681 -6.368 1.00 0.00 H new ATOM 39 N ILE A 3 -8.614 -2.733 -6.013 1.00 0.00 N ATOM 40 CA ILE A 3 -8.595 -1.435 -5.356 1.00 0.00 C ATOM 41 C ILE A 3 -9.238 -1.534 -3.984 1.00 0.00 C ATOM 42 O ILE A 3 -10.179 -2.298 -3.772 1.00 0.00 O ATOM 43 CB ILE A 3 -9.310 -0.388 -6.223 1.00 0.00 C ATOM 44 CG1 ILE A 3 -8.482 -0.057 -7.467 1.00 0.00 C ATOM 45 CG2 ILE A 3 -9.492 0.927 -5.461 1.00 0.00 C ATOM 46 CD1 ILE A 3 -8.670 -1.069 -8.590 1.00 0.00 C ATOM 0 H ILE A 3 -9.516 -2.973 -6.425 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.560 -1.119 -5.227 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.275 -0.816 -6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.758 0.934 -7.828 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.427 -0.015 -7.195 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.001 1.650 -6.099 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.089 0.749 -4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.516 1.320 -5.175 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.058 -0.782 -9.445 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.368 -2.057 -8.243 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.719 -1.093 -8.886 1.00 0.00 H new ATOM 58 N LEU A 4 -8.705 -0.738 -3.058 1.00 0.00 N ATOM 59 CA LEU A 4 -9.143 -0.677 -1.679 1.00 0.00 C ATOM 60 C LEU A 4 -9.083 0.771 -1.212 1.00 0.00 C ATOM 61 O LEU A 4 -8.338 1.581 -1.764 1.00 0.00 O ATOM 62 CB LEU A 4 -8.247 -1.560 -0.812 1.00 0.00 C ATOM 63 CG LEU A 4 -8.421 -3.046 -1.141 1.00 0.00 C ATOM 64 CD1 LEU A 4 -7.414 -3.851 -0.328 1.00 0.00 C ATOM 65 CD2 LEU A 4 -9.819 -3.546 -0.783 1.00 0.00 C ATOM 0 H LEU A 4 -7.934 -0.102 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.167 -1.042 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.205 -1.275 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.479 -1.391 0.240 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.267 -3.171 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.528 -4.911 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.403 -3.533 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.589 -3.686 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.902 -4.604 -1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.992 -3.410 0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.562 -2.982 -1.346 1.00 0.00 H new ATOM 77 N THR A 5 -9.875 1.093 -0.188 1.00 0.00 N ATOM 78 CA THR A 5 -9.953 2.444 0.336 1.00 0.00 C ATOM 79 C THR A 5 -9.778 2.400 1.844 1.00 0.00 C ATOM 80 O THR A 5 -10.335 1.534 2.521 1.00 0.00 O ATOM 81 CB THR A 5 -11.298 3.065 -0.049 1.00 0.00 C ATOM 82 OG1 THR A 5 -11.541 2.876 -1.424 1.00 0.00 O ATOM 83 CG2 THR A 5 -11.306 4.566 0.228 1.00 0.00 C ATOM 0 H THR A 5 -10.475 0.424 0.294 1.00 0.00 H new ATOM 0 HA THR A 5 -9.162 3.062 -0.088 1.00 0.00 H new ATOM 0 HB THR A 5 -12.069 2.577 0.548 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.499 2.974 -1.603 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.273 4.983 -0.054 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.131 4.741 1.290 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.520 5.047 -0.353 1.00 0.00 H new ATOM 91 N ARG A 6 -8.999 3.342 2.372 1.00 0.00 N ATOM 92 CA ARG A 6 -8.654 3.421 3.778 1.00 0.00 C ATOM 93 C ARG A 6 -8.592 4.878 4.187 1.00 0.00 C ATOM 94 O ARG A 6 -8.828 5.773 3.380 1.00 0.00 O ATOM 95 CB ARG A 6 -7.290 2.751 4.008 1.00 0.00 C ATOM 96 CG ARG A 6 -7.253 1.251 3.696 1.00 0.00 C ATOM 97 CD ARG A 6 -7.702 0.365 4.857 1.00 0.00 C ATOM 98 NE ARG A 6 -9.097 0.581 5.251 1.00 0.00 N ATOM 99 CZ ARG A 6 -9.680 -0.031 6.285 1.00 0.00 C ATOM 100 NH1 ARG A 6 -9.030 -0.950 6.992 1.00 0.00 N ATOM 101 NH2 ARG A 6 -10.927 0.276 6.625 1.00 0.00 N ATOM 0 H ARG A 6 -8.583 4.088 1.814 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.406 2.907 4.377 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.545 3.255 3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.998 2.899 5.048 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.890 1.054 2.834 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.238 0.974 3.412 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.569 -0.680 4.579 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.057 0.551 5.716 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.655 1.237 4.704 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.071 -1.197 6.748 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.490 -1.408 7.779 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.441 0.980 6.096 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.370 -0.193 7.415 1.00 0.00 H new ATOM 115 N LYS A 7 -8.272 5.104 5.455 1.00 0.00 N ATOM 116 CA LYS A 7 -8.140 6.436 6.013 1.00 0.00 C ATOM 117 C LYS A 7 -6.867 6.503 6.822 1.00 0.00 C ATOM 118 O LYS A 7 -6.319 5.463 7.180 1.00 0.00 O ATOM 119 CB LYS A 7 -9.342 6.748 6.894 1.00 0.00 C ATOM 120 CG LYS A 7 -10.651 6.623 6.116 1.00 0.00 C ATOM 121 CD LYS A 7 -11.790 7.239 6.923 1.00 0.00 C ATOM 122 CE LYS A 7 -11.769 8.763 6.796 1.00 0.00 C ATOM 123 NZ LYS A 7 -12.958 9.363 7.431 1.00 0.00 N ATOM 0 H LYS A 7 -8.096 4.358 6.128 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.099 7.172 5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.357 6.068 7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.250 7.758 7.294 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.562 7.125 5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.864 5.574 5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.746 6.851 6.570 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.698 6.954 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.866 9.158 7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.734 9.043 5.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.920 10.398 7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.817 9.002 6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.976 9.113 8.440 1.00 0.00 H new ATOM 137 N VAL A 8 -6.387 7.709 7.115 1.00 0.00 N ATOM 138 CA VAL A 8 -5.121 7.793 7.822 1.00 0.00 C ATOM 139 C VAL A 8 -5.237 7.104 9.177 1.00 0.00 C ATOM 140 O VAL A 8 -6.099 7.439 9.986 1.00 0.00 O ATOM 141 CB VAL A 8 -4.606 9.231 7.927 1.00 0.00 C ATOM 142 CG1 VAL A 8 -4.419 9.780 6.515 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.508 10.187 8.702 1.00 0.00 C ATOM 0 H VAL A 8 -6.832 8.598 6.886 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.366 7.263 7.241 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.674 9.177 8.489 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.052 10.805 6.569 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.698 9.164 5.978 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.373 9.763 5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.057 11.179 8.720 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.483 10.241 8.217 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.630 9.825 9.723 1.00 0.00 H new ATOM 153 N GLY A 9 -4.354 6.130 9.408 1.00 0.00 N ATOM 154 CA GLY A 9 -4.368 5.337 10.626 1.00 0.00 C ATOM 155 C GLY A 9 -5.025 3.968 10.439 1.00 0.00 C ATOM 156 O GLY A 9 -5.361 3.316 11.428 1.00 0.00 O ATOM 0 H GLY A 9 -3.614 5.874 8.755 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.345 5.198 10.975 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.899 5.885 11.404 1.00 0.00 H new ATOM 160 N GLU A 10 -5.211 3.518 9.193 1.00 0.00 N ATOM 161 CA GLU A 10 -5.822 2.226 8.902 1.00 0.00 C ATOM 162 C GLU A 10 -4.852 1.339 8.115 1.00 0.00 C ATOM 163 O GLU A 10 -3.761 1.780 7.761 1.00 0.00 O ATOM 164 CB GLU A 10 -7.132 2.422 8.132 1.00 0.00 C ATOM 165 CG GLU A 10 -8.140 3.256 8.927 1.00 0.00 C ATOM 166 CD GLU A 10 -9.515 3.242 8.267 1.00 0.00 C ATOM 167 OE1 GLU A 10 -9.564 3.144 7.021 1.00 0.00 O ATOM 168 OE2 GLU A 10 -10.509 3.333 9.018 1.00 0.00 O ATOM 0 H GLU A 10 -4.941 4.043 8.361 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.049 1.725 9.843 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.925 2.912 7.181 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.567 1.450 7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.218 2.866 9.942 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.783 4.283 9.007 1.00 0.00 H new ATOM 175 N SER A 11 -5.239 0.088 7.836 1.00 0.00 N ATOM 176 CA SER A 11 -4.332 -0.888 7.238 1.00 0.00 C ATOM 177 C SER A 11 -5.013 -1.821 6.235 1.00 0.00 C ATOM 178 O SER A 11 -6.240 -1.872 6.142 1.00 0.00 O ATOM 179 CB SER A 11 -3.692 -1.721 8.352 1.00 0.00 C ATOM 180 OG SER A 11 -2.927 -0.905 9.212 1.00 0.00 O ATOM 0 H SER A 11 -6.177 -0.269 8.017 1.00 0.00 H new ATOM 0 HA SER A 11 -3.582 -0.326 6.681 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.468 -2.231 8.923 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.058 -2.493 7.916 1.00 0.00 H new ATOM 0 HG SER A 11 -2.528 -1.456 9.917 1.00 0.00 H new ATOM 186 N ILE A 12 -4.177 -2.556 5.493 1.00 0.00 N ATOM 187 CA ILE A 12 -4.548 -3.476 4.421 1.00 0.00 C ATOM 188 C ILE A 12 -3.640 -4.701 4.520 1.00 0.00 C ATOM 189 O ILE A 12 -2.595 -4.635 5.164 1.00 0.00 O ATOM 190 CB ILE A 12 -4.377 -2.772 3.064 1.00 0.00 C ATOM 191 CG1 ILE A 12 -5.360 -1.598 2.983 1.00 0.00 C ATOM 192 CG2 ILE A 12 -4.579 -3.729 1.882 1.00 0.00 C ATOM 193 CD1 ILE A 12 -5.341 -0.928 1.610 1.00 0.00 C ATOM 0 H ILE A 12 -3.168 -2.520 5.635 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.589 -3.786 4.511 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.353 -2.406 2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.368 -1.953 3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.111 -0.863 3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.448 -3.185 0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.848 -4.536 1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.585 -4.147 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.052 -0.102 1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.340 -0.548 1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.617 -1.655 0.846 1.00 0.00 H new ATOM 205 N ASN A 13 -4.018 -5.821 3.895 1.00 0.00 N ATOM 206 CA ASN A 13 -3.258 -7.059 4.004 1.00 0.00 C ATOM 207 C ASN A 13 -2.955 -7.671 2.639 1.00 0.00 C ATOM 208 O ASN A 13 -3.718 -7.501 1.689 1.00 0.00 O ATOM 209 CB ASN A 13 -4.023 -8.066 4.873 1.00 0.00 C ATOM 210 CG ASN A 13 -3.077 -8.785 5.818 1.00 0.00 C ATOM 211 OD1 ASN A 13 -2.336 -9.673 5.413 1.00 0.00 O ATOM 212 ND2 ASN A 13 -3.100 -8.398 7.089 1.00 0.00 N ATOM 0 H ASN A 13 -4.849 -5.890 3.308 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.303 -6.818 4.472 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.793 -7.549 5.445 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.531 -8.791 4.237 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.485 -8.845 7.769 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.733 -7.654 7.384 1.00 0.00 H new ATOM 219 N ILE A 14 -1.829 -8.388 2.566 1.00 0.00 N ATOM 220 CA ILE A 14 -1.352 -9.060 1.360 1.00 0.00 C ATOM 221 C ILE A 14 -0.733 -10.399 1.759 1.00 0.00 C ATOM 222 O ILE A 14 0.089 -10.461 2.675 1.00 0.00 O ATOM 223 CB ILE A 14 -0.301 -8.199 0.644 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.872 -6.815 0.304 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.189 -8.923 -0.616 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.156 -5.929 -0.400 1.00 0.00 C ATOM 0 H ILE A 14 -1.210 -8.518 3.366 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.189 -9.218 0.679 1.00 0.00 H new ATOM 0 HB ILE A 14 0.549 -8.048 1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.748 -6.931 -0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.206 -6.326 1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.935 -8.309 -1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.634 -9.878 -0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.653 -9.097 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.290 -4.960 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.021 -5.790 0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.471 -6.405 -1.329 1.00 0.00 H new ATOM 238 N GLY A 15 -1.126 -11.475 1.069 1.00 0.00 N ATOM 239 CA GLY A 15 -0.637 -12.810 1.379 1.00 0.00 C ATOM 240 C GLY A 15 -0.916 -13.147 2.842 1.00 0.00 C ATOM 241 O GLY A 15 -1.942 -12.748 3.398 1.00 0.00 O ATOM 0 H GLY A 15 -1.784 -11.440 0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.120 -13.542 0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.434 -12.868 1.183 1.00 0.00 H new ATOM 245 N ASP A 16 0.007 -13.885 3.459 1.00 0.00 N ATOM 246 CA ASP A 16 -0.060 -14.234 4.871 1.00 0.00 C ATOM 247 C ASP A 16 1.222 -13.802 5.592 1.00 0.00 C ATOM 248 O ASP A 16 1.492 -14.250 6.705 1.00 0.00 O ATOM 249 CB ASP A 16 -0.370 -15.725 5.024 1.00 0.00 C ATOM 250 CG ASP A 16 0.747 -16.623 4.493 1.00 0.00 C ATOM 251 OD1 ASP A 16 0.944 -16.643 3.256 1.00 0.00 O ATOM 252 OD2 ASP A 16 1.398 -17.291 5.330 1.00 0.00 O ATOM 0 H ASP A 16 0.829 -14.259 2.985 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.875 -13.691 5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.540 -15.949 6.077 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.296 -15.954 4.496 1.00 0.00 H new ATOM 257 N ASP A 17 2.015 -12.933 4.956 1.00 0.00 N ATOM 258 CA ASP A 17 3.284 -12.463 5.502 1.00 0.00 C ATOM 259 C ASP A 17 3.473 -10.953 5.335 1.00 0.00 C ATOM 260 O ASP A 17 4.508 -10.435 5.752 1.00 0.00 O ATOM 261 CB ASP A 17 4.448 -13.200 4.828 1.00 0.00 C ATOM 262 CG ASP A 17 4.395 -14.704 5.074 1.00 0.00 C ATOM 263 OD1 ASP A 17 4.675 -15.114 6.223 1.00 0.00 O ATOM 264 OD2 ASP A 17 4.079 -15.433 4.108 1.00 0.00 O ATOM 0 H ASP A 17 1.790 -12.536 4.044 1.00 0.00 H new ATOM 0 HA ASP A 17 3.269 -12.676 6.571 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.426 -13.008 3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.392 -12.805 5.203 1.00 0.00 H new ATOM 269 N ILE A 18 2.512 -10.230 4.745 1.00 0.00 N ATOM 270 CA ILE A 18 2.684 -8.798 4.529 1.00 0.00 C ATOM 271 C ILE A 18 1.442 -8.023 4.952 1.00 0.00 C ATOM 272 O ILE A 18 0.316 -8.502 4.829 1.00 0.00 O ATOM 273 CB ILE A 18 3.009 -8.504 3.057 1.00 0.00 C ATOM 274 CG1 ILE A 18 4.225 -9.296 2.551 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.300 -7.012 2.871 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.770 -10.576 1.852 1.00 0.00 C ATOM 0 H ILE A 18 1.624 -10.610 4.416 1.00 0.00 H new ATOM 0 HA ILE A 18 3.520 -8.471 5.147 1.00 0.00 H new ATOM 0 HB ILE A 18 2.135 -8.808 2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.805 -8.683 1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.880 -9.543 3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.529 -6.814 1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.427 -6.431 3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.152 -6.728 3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.642 -11.127 1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.210 -11.194 2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.134 -10.321 1.004 1.00 0.00 H new ATOM 288 N THR A 19 1.661 -6.806 5.455 1.00 0.00 N ATOM 289 CA THR A 19 0.607 -5.884 5.847 1.00 0.00 C ATOM 290 C THR A 19 1.035 -4.481 5.425 1.00 0.00 C ATOM 291 O THR A 19 2.229 -4.212 5.295 1.00 0.00 O ATOM 292 CB THR A 19 0.380 -5.974 7.366 1.00 0.00 C ATOM 293 OG1 THR A 19 0.135 -7.313 7.743 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.811 -5.135 7.818 1.00 0.00 C ATOM 0 H THR A 19 2.598 -6.431 5.602 1.00 0.00 H new ATOM 0 HA THR A 19 -0.337 -6.133 5.362 1.00 0.00 H new ATOM 0 HB THR A 19 1.284 -5.594 7.841 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.007 -7.359 8.712 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.934 -5.229 8.897 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.638 -4.090 7.562 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.714 -5.486 7.318 1.00 0.00 H new ATOM 302 N ILE A 20 0.067 -3.589 5.213 1.00 0.00 N ATOM 303 CA ILE A 20 0.313 -2.222 4.768 1.00 0.00 C ATOM 304 C ILE A 20 -0.470 -1.279 5.676 1.00 0.00 C ATOM 305 O ILE A 20 -1.540 -1.643 6.158 1.00 0.00 O ATOM 306 CB ILE A 20 -0.153 -2.068 3.312 1.00 0.00 C ATOM 307 CG1 ILE A 20 0.538 -3.060 2.369 1.00 0.00 C ATOM 308 CG2 ILE A 20 0.065 -0.637 2.819 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.031 -2.791 2.205 1.00 0.00 C ATOM 0 H ILE A 20 -0.922 -3.801 5.348 1.00 0.00 H new ATOM 0 HA ILE A 20 1.376 -1.986 4.819 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.220 -2.292 3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.397 -4.072 2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.058 -3.017 1.391 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.272 -0.553 1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.502 0.053 3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.125 -0.390 2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.461 -3.527 1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.178 -1.791 1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.522 -2.862 3.175 1.00 0.00 H new ATOM 321 N THR A 21 0.053 -0.074 5.916 1.00 0.00 N ATOM 322 CA THR A 21 -0.578 0.877 6.826 1.00 0.00 C ATOM 323 C THR A 21 -0.361 2.305 6.341 1.00 0.00 C ATOM 324 O THR A 21 0.769 2.718 6.089 1.00 0.00 O ATOM 325 CB THR A 21 0.026 0.718 8.222 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.133 -0.604 8.683 1.00 0.00 O ATOM 327 CG2 THR A 21 -0.644 1.657 9.227 1.00 0.00 C ATOM 0 H THR A 21 0.915 0.264 5.489 1.00 0.00 H new ATOM 0 HA THR A 21 -1.649 0.676 6.858 1.00 0.00 H new ATOM 0 HB THR A 21 1.085 0.965 8.142 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.078 -0.769 8.884 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.193 1.520 10.210 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.509 2.690 8.906 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.709 1.431 9.282 1.00 0.00 H new ATOM 335 N ILE A 22 -1.449 3.067 6.209 1.00 0.00 N ATOM 336 CA ILE A 22 -1.404 4.466 5.819 1.00 0.00 C ATOM 337 C ILE A 22 -1.156 5.294 7.081 1.00 0.00 C ATOM 338 O ILE A 22 -2.081 5.562 7.847 1.00 0.00 O ATOM 339 CB ILE A 22 -2.698 4.841 5.080 1.00 0.00 C ATOM 340 CG1 ILE A 22 -2.891 6.355 4.935 1.00 0.00 C ATOM 341 CG2 ILE A 22 -3.946 4.284 5.764 1.00 0.00 C ATOM 342 CD1 ILE A 22 -1.726 7.000 4.200 1.00 0.00 C ATOM 0 H ILE A 22 -2.394 2.720 6.373 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.593 4.669 5.120 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.579 4.393 4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.817 6.554 4.396 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.993 6.806 5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.832 4.578 5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.885 3.196 5.802 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.013 4.679 6.778 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.898 8.073 4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.804 6.822 4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.640 6.567 3.203 1.00 0.00 H new ATOM 354 N LEU A 23 0.095 5.702 7.307 1.00 0.00 N ATOM 355 CA LEU A 23 0.448 6.406 8.533 1.00 0.00 C ATOM 356 C LEU A 23 -0.160 7.809 8.521 1.00 0.00 C ATOM 357 O LEU A 23 -0.441 8.371 9.580 1.00 0.00 O ATOM 358 CB LEU A 23 1.968 6.481 8.730 1.00 0.00 C ATOM 359 CG LEU A 23 2.752 5.323 8.108 1.00 0.00 C ATOM 360 CD1 LEU A 23 4.240 5.636 8.249 1.00 0.00 C ATOM 361 CD2 LEU A 23 2.457 4.001 8.804 1.00 0.00 C ATOM 0 H LEU A 23 0.871 5.557 6.661 1.00 0.00 H new ATOM 0 HA LEU A 23 0.040 5.843 9.372 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.330 7.417 8.304 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.181 6.513 9.799 1.00 0.00 H new ATOM 0 HG LEU A 23 2.459 5.221 7.063 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.825 4.826 7.813 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.467 6.567 7.730 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.492 5.738 9.305 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.033 3.205 8.332 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.733 4.074 9.856 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.394 3.776 8.723 1.00 0.00 H new ATOM 373 N GLY A 24 -0.358 8.377 7.326 1.00 0.00 N ATOM 374 CA GLY A 24 -1.016 9.664 7.157 1.00 0.00 C ATOM 375 C GLY A 24 -0.658 10.306 5.820 1.00 0.00 C ATOM 376 O GLY A 24 -0.013 9.677 4.980 1.00 0.00 O ATOM 0 H GLY A 24 -0.062 7.949 6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.096 9.532 7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.728 10.330 7.970 1.00 0.00 H new ATOM 380 N VAL A 25 -1.078 11.559 5.620 1.00 0.00 N ATOM 381 CA VAL A 25 -0.759 12.294 4.403 1.00 0.00 C ATOM 382 C VAL A 25 -0.059 13.604 4.751 1.00 0.00 C ATOM 383 O VAL A 25 0.007 13.998 5.914 1.00 0.00 O ATOM 384 CB VAL A 25 -2.000 12.534 3.524 1.00 0.00 C ATOM 385 CG1 VAL A 25 -2.880 11.289 3.427 1.00 0.00 C ATOM 386 CG2 VAL A 25 -2.859 13.696 4.021 1.00 0.00 C ATOM 0 H VAL A 25 -1.641 12.082 6.290 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.079 11.681 3.811 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.607 12.783 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.744 11.502 2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.306 10.471 2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.218 11.004 4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.720 13.819 3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.203 13.487 5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.268 14.612 4.020 1.00 0.00 H new ATOM 396 N SER A 26 0.457 14.273 3.720 1.00 0.00 N ATOM 397 CA SER A 26 1.186 15.527 3.837 1.00 0.00 C ATOM 398 C SER A 26 0.792 16.430 2.674 1.00 0.00 C ATOM 399 O SER A 26 1.633 17.088 2.061 1.00 0.00 O ATOM 400 CB SER A 26 2.686 15.234 3.807 1.00 0.00 C ATOM 401 OG SER A 26 3.119 14.724 5.051 1.00 0.00 O ATOM 0 H SER A 26 0.375 13.946 2.757 1.00 0.00 H new ATOM 0 HA SER A 26 0.945 16.028 4.775 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.906 14.516 3.017 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.235 16.145 3.571 1.00 0.00 H new ATOM 0 HG SER A 26 3.992 15.108 5.276 1.00 0.00 H new ATOM 407 N GLY A 27 -0.505 16.457 2.369 1.00 0.00 N ATOM 408 CA GLY A 27 -1.028 17.157 1.210 1.00 0.00 C ATOM 409 C GLY A 27 -1.404 16.133 0.150 1.00 0.00 C ATOM 410 O GLY A 27 -1.889 15.051 0.480 1.00 0.00 O ATOM 0 H GLY A 27 -1.221 15.990 2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.899 17.750 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.283 17.850 0.819 1.00 0.00 H new ATOM 414 N GLN A 28 -1.188 16.456 -1.129 1.00 0.00 N ATOM 415 CA GLN A 28 -1.398 15.502 -2.210 1.00 0.00 C ATOM 416 C GLN A 28 -0.272 14.467 -2.262 1.00 0.00 C ATOM 417 O GLN A 28 -0.137 13.730 -3.241 1.00 0.00 O ATOM 418 CB GLN A 28 -1.583 16.235 -3.538 1.00 0.00 C ATOM 419 CG GLN A 28 -2.996 15.973 -4.065 1.00 0.00 C ATOM 420 CD GLN A 28 -4.054 16.578 -3.146 1.00 0.00 C ATOM 421 OE1 GLN A 28 -4.550 15.803 -2.183 1.00 0.00 O flip ATOM 422 NE2 GLN A 28 -4.422 17.740 -3.307 1.00 0.00 N flip ATOM 0 H GLN A 28 -0.867 17.374 -1.436 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.316 14.948 -2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.425 17.305 -3.402 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.843 15.894 -4.262 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.097 16.394 -5.065 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.160 14.899 -4.153 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.019 18.303 -4.056 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.130 18.141 -2.692 1.00 0.00 H new ATOM 431 N GLN A 29 0.536 14.419 -1.200 1.00 0.00 N ATOM 432 CA GLN A 29 1.528 13.381 -1.019 1.00 0.00 C ATOM 433 C GLN A 29 1.129 12.566 0.209 1.00 0.00 C ATOM 434 O GLN A 29 0.446 13.065 1.099 1.00 0.00 O ATOM 435 CB GLN A 29 2.932 13.986 -0.950 1.00 0.00 C ATOM 436 CG GLN A 29 3.277 14.600 0.400 1.00 0.00 C ATOM 437 CD GLN A 29 4.701 15.146 0.375 1.00 0.00 C ATOM 438 OE1 GLN A 29 5.088 15.844 -0.560 1.00 0.00 O ATOM 439 NE2 GLN A 29 5.492 14.834 1.398 1.00 0.00 N ATOM 0 H GLN A 29 0.513 15.105 -0.445 1.00 0.00 H new ATOM 0 HA GLN A 29 1.563 12.701 -1.870 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.662 13.211 -1.182 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.025 14.752 -1.720 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.576 15.401 0.635 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.180 13.851 1.185 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.138 14.252 2.157 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.452 15.176 1.423 1.00 0.00 H new ATOM 448 N VAL A 30 1.557 11.307 0.261 1.00 0.00 N ATOM 449 CA VAL A 30 1.062 10.334 1.222 1.00 0.00 C ATOM 450 C VAL A 30 2.233 9.572 1.825 1.00 0.00 C ATOM 451 O VAL A 30 3.253 9.388 1.163 1.00 0.00 O ATOM 452 CB VAL A 30 0.106 9.381 0.490 1.00 0.00 C ATOM 453 CG1 VAL A 30 -0.521 8.379 1.451 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.044 10.141 -0.175 1.00 0.00 C ATOM 0 H VAL A 30 2.265 10.933 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 30 0.529 10.829 2.033 1.00 0.00 H new ATOM 0 HB VAL A 30 0.708 8.869 -0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.192 7.719 0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.264 7.787 1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.083 8.913 2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.701 9.435 -0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.610 10.681 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.641 10.849 -0.900 1.00 0.00 H new ATOM 464 N ARG A 31 2.092 9.121 3.076 1.00 0.00 N ATOM 465 CA ARG A 31 3.150 8.394 3.761 1.00 0.00 C ATOM 466 C ARG A 31 2.584 7.098 4.309 1.00 0.00 C ATOM 467 O ARG A 31 1.618 7.089 5.078 1.00 0.00 O ATOM 468 CB ARG A 31 3.755 9.278 4.847 1.00 0.00 C ATOM 469 CG ARG A 31 5.070 8.687 5.352 1.00 0.00 C ATOM 470 CD ARG A 31 5.819 9.723 6.189 1.00 0.00 C ATOM 471 NE ARG A 31 6.292 10.841 5.361 1.00 0.00 N ATOM 472 CZ ARG A 31 5.735 12.055 5.326 1.00 0.00 C ATOM 473 NH1 ARG A 31 4.661 12.346 6.056 1.00 0.00 N ATOM 474 NH2 ARG A 31 6.260 13.002 4.555 1.00 0.00 N ATOM 0 H ARG A 31 1.247 9.251 3.632 1.00 0.00 H new ATOM 0 HA ARG A 31 3.955 8.137 3.072 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.928 10.280 4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.053 9.378 5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.873 7.797 5.950 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.686 8.374 4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.164 10.101 6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.668 9.249 6.683 1.00 0.00 H new ATOM 0 HE ARG A 31 7.106 10.678 4.769 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.246 11.635 6.658 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.253 13.280 6.013 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.086 12.801 3.992 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.837 13.930 4.527 1.00 0.00 H new ATOM 488 N ILE A 32 3.207 5.997 3.896 1.00 0.00 N ATOM 489 CA ILE A 32 2.686 4.656 4.103 1.00 0.00 C ATOM 490 C ILE A 32 3.811 3.747 4.566 1.00 0.00 C ATOM 491 O ILE A 32 4.958 3.903 4.155 1.00 0.00 O ATOM 492 CB ILE A 32 2.100 4.167 2.770 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.838 4.969 2.432 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.751 2.675 2.801 1.00 0.00 C ATOM 495 CD1 ILE A 32 0.565 4.969 0.931 1.00 0.00 C ATOM 0 H ILE A 32 4.099 6.016 3.402 1.00 0.00 H new ATOM 0 HA ILE A 32 1.909 4.650 4.867 1.00 0.00 H new ATOM 0 HB ILE A 32 2.864 4.318 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.017 4.545 2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.952 5.995 2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.340 2.377 1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.651 2.095 3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.013 2.490 3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.336 5.546 0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.410 5.417 0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.426 3.944 0.586 1.00 0.00 H new ATOM 507 N GLY A 33 3.459 2.791 5.426 1.00 0.00 N ATOM 508 CA GLY A 33 4.401 1.828 5.960 1.00 0.00 C ATOM 509 C GLY A 33 4.081 0.444 5.423 1.00 0.00 C ATOM 510 O GLY A 33 2.985 0.190 4.921 1.00 0.00 O ATOM 0 H GLY A 33 2.506 2.669 5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.418 2.109 5.685 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.355 1.825 7.049 1.00 0.00 H new ATOM 514 N ILE A 34 5.059 -0.450 5.539 1.00 0.00 N ATOM 515 CA ILE A 34 4.969 -1.813 5.060 1.00 0.00 C ATOM 516 C ILE A 34 5.500 -2.699 6.172 1.00 0.00 C ATOM 517 O ILE A 34 6.396 -2.304 6.918 1.00 0.00 O ATOM 518 CB ILE A 34 5.781 -1.962 3.765 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.290 -0.952 2.723 1.00 0.00 C ATOM 520 CG2 ILE A 34 5.662 -3.383 3.208 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.169 -0.929 1.474 1.00 0.00 C ATOM 0 H ILE A 34 5.954 -0.235 5.980 1.00 0.00 H new ATOM 0 HA ILE A 34 3.944 -2.097 4.820 1.00 0.00 H new ATOM 0 HB ILE A 34 6.829 -1.768 3.992 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.266 -1.196 2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.269 0.043 3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.245 -3.464 2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.039 -4.094 3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.616 -3.603 2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.778 -0.197 0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.188 -0.658 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.169 -1.916 1.011 1.00 0.00 H new ATOM 533 N ASN A 35 4.944 -3.899 6.284 1.00 0.00 N ATOM 534 CA ASN A 35 5.236 -4.780 7.396 1.00 0.00 C ATOM 535 C ASN A 35 5.369 -6.200 6.872 1.00 0.00 C ATOM 536 O ASN A 35 4.384 -6.932 6.765 1.00 0.00 O ATOM 537 CB ASN A 35 4.129 -4.658 8.443 1.00 0.00 C ATOM 538 CG ASN A 35 4.410 -5.509 9.671 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.533 -5.955 9.896 1.00 0.00 O ATOM 540 ND2 ASN A 35 3.382 -5.747 10.478 1.00 0.00 N ATOM 0 H ASN A 35 4.283 -4.282 5.609 1.00 0.00 H new ATOM 0 HA ASN A 35 6.175 -4.504 7.875 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.025 -3.615 8.741 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.179 -4.960 8.003 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.512 -6.316 11.315 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.463 -5.361 10.261 1.00 0.00 H new ATOM 547 N ALA A 36 6.603 -6.574 6.544 1.00 0.00 N ATOM 548 CA ALA A 36 6.915 -7.871 5.971 1.00 0.00 C ATOM 549 C ALA A 36 8.218 -8.404 6.551 1.00 0.00 C ATOM 550 O ALA A 36 9.050 -7.629 7.025 1.00 0.00 O ATOM 551 CB ALA A 36 7.057 -7.715 4.456 1.00 0.00 C ATOM 0 H ALA A 36 7.419 -5.976 6.672 1.00 0.00 H new ATOM 0 HA ALA A 36 6.116 -8.574 6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.292 -8.682 4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.122 -7.341 4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.859 -7.010 4.236 1.00 0.00 H new ATOM 557 N PRO A 37 8.410 -9.728 6.525 1.00 0.00 N ATOM 558 CA PRO A 37 9.660 -10.347 6.909 1.00 0.00 C ATOM 559 C PRO A 37 10.754 -9.944 5.928 1.00 0.00 C ATOM 560 O PRO A 37 10.473 -9.587 4.785 1.00 0.00 O ATOM 561 CB PRO A 37 9.403 -11.853 6.830 1.00 0.00 C ATOM 562 CG PRO A 37 8.220 -11.995 5.874 1.00 0.00 C ATOM 563 CD PRO A 37 7.433 -10.722 6.118 1.00 0.00 C ATOM 0 HA PRO A 37 9.985 -10.044 7.904 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.279 -12.385 6.458 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.171 -12.267 7.811 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.546 -12.076 4.837 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.628 -12.884 6.093 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.907 -10.408 5.216 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.679 -10.870 6.891 1.00 0.00 H new ATOM 571 N LYS A 38 12.012 -10.005 6.372 1.00 0.00 N ATOM 572 CA LYS A 38 13.153 -9.784 5.491 1.00 0.00 C ATOM 573 C LYS A 38 13.245 -10.921 4.473 1.00 0.00 C ATOM 574 O LYS A 38 14.127 -10.935 3.618 1.00 0.00 O ATOM 575 CB LYS A 38 14.429 -9.636 6.323 1.00 0.00 C ATOM 576 CG LYS A 38 14.278 -8.548 7.397 1.00 0.00 C ATOM 577 CD LYS A 38 13.979 -7.173 6.801 1.00 0.00 C ATOM 578 CE LYS A 38 15.200 -6.557 6.115 1.00 0.00 C ATOM 579 NZ LYS A 38 16.253 -6.223 7.097 1.00 0.00 N ATOM 0 H LYS A 38 12.263 -10.206 7.340 1.00 0.00 H new ATOM 0 HA LYS A 38 13.024 -8.857 4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.667 -10.588 6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.265 -9.389 5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.476 -8.826 8.081 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.194 -8.494 7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.166 -7.261 6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.633 -6.505 7.590 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.596 -7.254 5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.903 -5.657 5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.940 -5.574 6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.822 -5.767 7.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.739 -7.093 7.394 1.00 0.00 H new ATOM 593 N ASP A 39 12.313 -11.873 4.578 1.00 0.00 N ATOM 594 CA ASP A 39 12.126 -12.979 3.655 1.00 0.00 C ATOM 595 C ASP A 39 11.658 -12.484 2.286 1.00 0.00 C ATOM 596 O ASP A 39 11.676 -13.238 1.313 1.00 0.00 O ATOM 597 CB ASP A 39 11.065 -13.913 4.244 1.00 0.00 C ATOM 598 CG ASP A 39 11.150 -15.311 3.638 1.00 0.00 C ATOM 599 OD1 ASP A 39 12.220 -15.943 3.788 1.00 0.00 O ATOM 600 OD2 ASP A 39 10.144 -15.739 3.028 1.00 0.00 O ATOM 0 H ASP A 39 11.642 -11.888 5.346 1.00 0.00 H new ATOM 0 HA ASP A 39 13.075 -13.497 3.519 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.194 -13.976 5.325 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.073 -13.498 4.065 1.00 0.00 H new ATOM 605 N VAL A 40 11.238 -11.217 2.212 1.00 0.00 N ATOM 606 CA VAL A 40 10.734 -10.603 0.989 1.00 0.00 C ATOM 607 C VAL A 40 11.304 -9.197 0.861 1.00 0.00 C ATOM 608 O VAL A 40 11.777 -8.618 1.842 1.00 0.00 O ATOM 609 CB VAL A 40 9.195 -10.571 0.983 1.00 0.00 C ATOM 610 CG1 VAL A 40 8.617 -11.957 1.275 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.650 -9.600 2.022 1.00 0.00 C ATOM 0 H VAL A 40 11.240 -10.585 3.012 1.00 0.00 H new ATOM 0 HA VAL A 40 11.053 -11.199 0.134 1.00 0.00 H new ATOM 0 HB VAL A 40 8.895 -10.243 -0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.528 -11.907 1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.955 -12.660 0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.956 -12.293 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.561 -9.605 1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.984 -9.904 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.015 -8.596 1.808 1.00 0.00 H new ATOM 621 N ALA A 41 11.256 -8.644 -0.351 1.00 0.00 N ATOM 622 CA ALA A 41 11.831 -7.340 -0.628 1.00 0.00 C ATOM 623 C ALA A 41 10.733 -6.317 -0.901 1.00 0.00 C ATOM 624 O ALA A 41 9.687 -6.656 -1.453 1.00 0.00 O ATOM 625 CB ALA A 41 12.744 -7.474 -1.848 1.00 0.00 C ATOM 0 H ALA A 41 10.820 -9.088 -1.159 1.00 0.00 H new ATOM 0 HA ALA A 41 12.401 -6.994 0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 41 13.189 -6.506 -2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.533 -8.195 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 41 12.161 -7.817 -2.703 1.00 0.00 H new ATOM 631 N VAL A 42 10.980 -5.066 -0.508 1.00 0.00 N ATOM 632 CA VAL A 42 10.042 -3.973 -0.743 1.00 0.00 C ATOM 633 C VAL A 42 10.826 -2.698 -1.021 1.00 0.00 C ATOM 634 O VAL A 42 11.705 -2.328 -0.248 1.00 0.00 O ATOM 635 CB VAL A 42 9.098 -3.787 0.460 1.00 0.00 C ATOM 636 CG1 VAL A 42 8.254 -5.041 0.689 1.00 0.00 C ATOM 637 CG2 VAL A 42 9.840 -3.507 1.767 1.00 0.00 C ATOM 0 H VAL A 42 11.831 -4.786 -0.021 1.00 0.00 H new ATOM 0 HA VAL A 42 9.422 -4.211 -1.607 1.00 0.00 H new ATOM 0 HB VAL A 42 8.478 -2.927 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.596 -4.885 1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.655 -5.243 -0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.909 -5.890 0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.119 -3.386 2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.504 -4.341 1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.427 -2.594 1.664 1.00 0.00 H new ATOM 647 N HIS A 43 10.517 -2.013 -2.129 1.00 0.00 N ATOM 648 CA HIS A 43 11.202 -0.773 -2.471 1.00 0.00 C ATOM 649 C HIS A 43 10.363 0.102 -3.398 1.00 0.00 C ATOM 650 O HIS A 43 9.400 -0.365 -4.003 1.00 0.00 O ATOM 651 CB HIS A 43 12.526 -1.045 -3.198 1.00 0.00 C ATOM 652 CG HIS A 43 13.329 -2.221 -2.704 1.00 0.00 C ATOM 653 ND1 HIS A 43 14.363 -2.157 -1.772 1.00 0.00 N ATOM 654 CD2 HIS A 43 13.173 -3.514 -3.110 1.00 0.00 C ATOM 655 CE1 HIS A 43 14.811 -3.414 -1.639 1.00 0.00 C ATOM 656 NE2 HIS A 43 14.118 -4.247 -2.433 1.00 0.00 N ATOM 0 H HIS A 43 9.801 -2.299 -2.797 1.00 0.00 H new ATOM 0 HA HIS A 43 11.378 -0.264 -1.523 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.311 -1.198 -4.256 1.00 0.00 H new ATOM 0 HB3 HIS A 43 13.146 -0.152 -3.125 1.00 0.00 H new ATOM 0 HD1 HIS A 43 14.708 -1.326 -1.291 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.451 -3.887 -3.821 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.616 -3.715 -0.985 1.00 0.00 H new ATOM 664 N ARG A 44 10.744 1.379 -3.505 1.00 0.00 N ATOM 665 CA ARG A 44 10.190 2.286 -4.499 1.00 0.00 C ATOM 666 C ARG A 44 10.686 1.841 -5.870 1.00 0.00 C ATOM 667 O ARG A 44 11.730 1.197 -5.961 1.00 0.00 O ATOM 668 CB ARG A 44 10.632 3.713 -4.152 1.00 0.00 C ATOM 669 CG ARG A 44 10.093 4.744 -5.145 1.00 0.00 C ATOM 670 CD ARG A 44 10.481 6.153 -4.695 1.00 0.00 C ATOM 671 NE ARG A 44 10.157 7.147 -5.726 1.00 0.00 N ATOM 672 CZ ARG A 44 9.016 7.840 -5.793 1.00 0.00 C ATOM 673 NH1 ARG A 44 8.053 7.671 -4.891 1.00 0.00 N ATOM 674 NH2 ARG A 44 8.835 8.714 -6.774 1.00 0.00 N ATOM 0 H ARG A 44 11.446 1.807 -2.902 1.00 0.00 H new ATOM 0 HA ARG A 44 9.100 2.269 -4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.288 3.964 -3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.721 3.760 -4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.493 4.547 -6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 44 9.008 4.661 -5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.958 6.400 -3.771 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.548 6.187 -4.476 1.00 0.00 H new ATOM 0 HE ARG A 44 10.857 7.322 -6.447 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.178 7.003 -4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.190 8.210 -4.960 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.565 8.855 -7.473 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.966 9.245 -6.830 1.00 0.00 H new ATOM 688 N GLU A 45 9.952 2.181 -6.932 1.00 0.00 N ATOM 689 CA GLU A 45 10.313 1.770 -8.286 1.00 0.00 C ATOM 690 C GLU A 45 11.753 2.152 -8.629 1.00 0.00 C ATOM 691 O GLU A 45 12.417 1.451 -9.384 1.00 0.00 O ATOM 692 CB GLU A 45 9.383 2.435 -9.298 1.00 0.00 C ATOM 693 CG GLU A 45 7.926 2.144 -8.965 1.00 0.00 C ATOM 694 CD GLU A 45 7.012 2.625 -10.092 1.00 0.00 C ATOM 695 OE1 GLU A 45 6.735 3.845 -10.127 1.00 0.00 O ATOM 696 OE2 GLU A 45 6.596 1.769 -10.903 1.00 0.00 O ATOM 0 H GLU A 45 9.102 2.742 -6.877 1.00 0.00 H new ATOM 0 HA GLU A 45 10.217 0.685 -8.331 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.552 3.512 -9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.611 2.073 -10.301 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.789 1.074 -8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.654 2.639 -8.032 1.00 0.00 H new ATOM 703 N GLU A 46 12.236 3.268 -8.073 1.00 0.00 N ATOM 704 CA GLU A 46 13.586 3.734 -8.352 1.00 0.00 C ATOM 705 C GLU A 46 14.635 2.765 -7.805 1.00 0.00 C ATOM 706 O GLU A 46 15.618 2.494 -8.492 1.00 0.00 O ATOM 707 CB GLU A 46 13.773 5.128 -7.752 1.00 0.00 C ATOM 708 CG GLU A 46 15.194 5.665 -7.960 1.00 0.00 C ATOM 709 CD GLU A 46 15.593 5.717 -9.439 1.00 0.00 C ATOM 710 OE1 GLU A 46 14.763 6.192 -10.249 1.00 0.00 O ATOM 711 OE2 GLU A 46 16.725 5.282 -9.748 1.00 0.00 O ATOM 0 H GLU A 46 11.709 3.859 -7.430 1.00 0.00 H new ATOM 0 HA GLU A 46 13.723 3.782 -9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.058 5.815 -8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.552 5.095 -6.685 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.267 6.665 -7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.900 5.035 -7.419 1.00 0.00 H new ATOM 718 N ILE A 47 14.439 2.242 -6.593 1.00 0.00 N ATOM 719 CA ILE A 47 15.382 1.313 -5.987 1.00 0.00 C ATOM 720 C ILE A 47 15.159 -0.063 -6.596 1.00 0.00 C ATOM 721 O ILE A 47 16.106 -0.829 -6.779 1.00 0.00 O ATOM 722 CB ILE A 47 15.142 1.252 -4.470 1.00 0.00 C ATOM 723 CG1 ILE A 47 15.701 2.463 -3.715 1.00 0.00 C ATOM 724 CG2 ILE A 47 15.828 0.026 -3.865 1.00 0.00 C ATOM 725 CD1 ILE A 47 15.059 3.788 -4.131 1.00 0.00 C ATOM 0 H ILE A 47 13.627 2.451 -6.012 1.00 0.00 H new ATOM 0 HA ILE A 47 16.405 1.642 -6.170 1.00 0.00 H new ATOM 0 HB ILE A 47 14.058 1.220 -4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.552 2.316 -2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.777 2.521 -3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.646 0.001 -2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.426 -0.878 -4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.901 0.081 -4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.501 4.603 -3.557 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.231 3.958 -5.194 1.00 0.00 H new ATOM 0 HD13 ILE A 47 13.987 3.749 -3.938 1.00 0.00 H new ATOM 737 N TYR A 48 13.900 -0.377 -6.906 1.00 0.00 N ATOM 738 CA TYR A 48 13.505 -1.676 -7.415 1.00 0.00 C ATOM 739 C TYR A 48 14.223 -2.028 -8.714 1.00 0.00 C ATOM 740 O TYR A 48 14.502 -3.196 -8.974 1.00 0.00 O ATOM 741 CB TYR A 48 12.001 -1.665 -7.652 1.00 0.00 C ATOM 742 CG TYR A 48 11.517 -2.991 -8.182 1.00 0.00 C ATOM 743 CD1 TYR A 48 11.265 -4.052 -7.303 1.00 0.00 C ATOM 744 CD2 TYR A 48 11.332 -3.151 -9.562 1.00 0.00 C ATOM 745 CE1 TYR A 48 10.834 -5.288 -7.803 1.00 0.00 C ATOM 746 CE2 TYR A 48 10.911 -4.384 -10.069 1.00 0.00 C ATOM 747 CZ TYR A 48 10.654 -5.457 -9.192 1.00 0.00 C ATOM 748 OH TYR A 48 10.230 -6.660 -9.682 1.00 0.00 O ATOM 0 H TYR A 48 13.123 0.276 -6.807 1.00 0.00 H new ATOM 0 HA TYR A 48 13.780 -2.431 -6.678 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.486 -1.435 -6.719 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.749 -0.875 -8.359 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.403 -3.918 -6.240 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.514 -2.324 -10.232 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.640 -6.108 -7.128 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.783 -4.514 -11.133 1.00 0.00 H new ATOM 0 HH TYR A 48 10.156 -6.608 -10.658 1.00 0.00 H new ATOM 1605 N MET C 1 8.742 -2.214 10.423 1.00 0.00 N ATOM 1606 CA MET C 1 8.067 -1.342 9.444 1.00 0.00 C ATOM 1607 C MET C 1 9.076 -0.772 8.462 1.00 0.00 C ATOM 1608 O MET C 1 10.135 -0.312 8.871 1.00 0.00 O ATOM 1609 CB MET C 1 7.343 -0.201 10.157 1.00 0.00 C ATOM 1610 CG MET C 1 6.412 0.563 9.219 1.00 0.00 C ATOM 1611 SD MET C 1 4.840 -0.273 8.915 1.00 0.00 S ATOM 1612 CE MET C 1 4.083 0.096 10.515 1.00 0.00 C ATOM 0 H1 MET C 1 8.367 -2.024 11.374 1.00 0.00 H new ATOM 0 H2 MET C 1 8.572 -3.210 10.176 1.00 0.00 H new ATOM 0 H3 MET C 1 9.764 -2.024 10.410 1.00 0.00 H new ATOM 0 HA MET C 1 7.337 -1.940 8.899 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.767 -0.603 10.991 1.00 0.00 H new ATOM 0 HB3 MET C 1 8.077 0.486 10.578 1.00 0.00 H new ATOM 0 HG2 MET C 1 6.214 1.548 9.642 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.919 0.721 8.267 1.00 0.00 H new ATOM 0 HE1 MET C 1 3.794 -0.834 11.004 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.798 0.629 11.142 1.00 0.00 H new ATOM 0 HE3 MET C 1 3.199 0.716 10.365 1.00 0.00 H new ATOM 1624 N LEU C 2 8.743 -0.801 7.170 1.00 0.00 N ATOM 1625 CA LEU C 2 9.538 -0.166 6.131 1.00 0.00 C ATOM 1626 C LEU C 2 8.631 0.878 5.504 1.00 0.00 C ATOM 1627 O LEU C 2 7.522 0.559 5.083 1.00 0.00 O ATOM 1628 CB LEU C 2 10.028 -1.242 5.159 1.00 0.00 C ATOM 1629 CG LEU C 2 10.899 -0.721 4.001 1.00 0.00 C ATOM 1630 CD1 LEU C 2 10.045 -0.130 2.885 1.00 0.00 C ATOM 1631 CD2 LEU C 2 11.915 0.319 4.462 1.00 0.00 C ATOM 0 H LEU C 2 7.908 -1.270 6.819 1.00 0.00 H new ATOM 0 HA LEU C 2 10.439 0.328 6.496 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.598 -1.984 5.718 1.00 0.00 H new ATOM 0 HB3 LEU C 2 9.162 -1.755 4.741 1.00 0.00 H new ATOM 0 HG LEU C 2 11.443 -1.586 3.620 1.00 0.00 H new ATOM 0 HD11 LEU C 2 10.691 0.228 2.083 1.00 0.00 H new ATOM 0 HD12 LEU C 2 9.374 -0.896 2.496 1.00 0.00 H new ATOM 0 HD13 LEU C 2 9.458 0.701 3.277 1.00 0.00 H new ATOM 0 HD21 LEU C 2 12.504 0.655 3.609 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.392 1.170 4.899 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.576 -0.123 5.208 1.00 0.00 H new ATOM 1643 N ILE C 3 9.092 2.126 5.436 1.00 0.00 N ATOM 1644 CA ILE C 3 8.220 3.247 5.117 1.00 0.00 C ATOM 1645 C ILE C 3 8.710 4.001 3.897 1.00 0.00 C ATOM 1646 O ILE C 3 9.911 4.062 3.634 1.00 0.00 O ATOM 1647 CB ILE C 3 8.164 4.158 6.349 1.00 0.00 C ATOM 1648 CG1 ILE C 3 7.648 3.320 7.523 1.00 0.00 C ATOM 1649 CG2 ILE C 3 7.266 5.380 6.137 1.00 0.00 C ATOM 1650 CD1 ILE C 3 7.799 4.058 8.841 1.00 0.00 C ATOM 0 H ILE C 3 10.066 2.383 5.598 1.00 0.00 H new ATOM 0 HA ILE C 3 7.222 2.885 4.872 1.00 0.00 H new ATOM 0 HB ILE C 3 9.164 4.545 6.547 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.599 3.072 7.361 1.00 0.00 H new ATOM 0 HG13 ILE C 3 8.195 2.378 7.567 1.00 0.00 H new ATOM 0 HG21 ILE C 3 7.263 5.990 7.040 1.00 0.00 H new ATOM 0 HG22 ILE C 3 7.645 5.969 5.302 1.00 0.00 H new ATOM 0 HG23 ILE C 3 6.250 5.051 5.918 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.423 3.435 9.652 1.00 0.00 H new ATOM 0 HD12 ILE C 3 8.852 4.283 9.014 1.00 0.00 H new ATOM 0 HD13 ILE C 3 7.231 4.988 8.805 1.00 0.00 H new ATOM 1662 N LEU C 4 7.754 4.569 3.163 1.00 0.00 N ATOM 1663 CA LEU C 4 7.991 5.321 1.948 1.00 0.00 C ATOM 1664 C LEU C 4 6.979 6.460 1.868 1.00 0.00 C ATOM 1665 O LEU C 4 5.909 6.395 2.475 1.00 0.00 O ATOM 1666 CB LEU C 4 7.845 4.402 0.731 1.00 0.00 C ATOM 1667 CG LEU C 4 8.929 3.318 0.688 1.00 0.00 C ATOM 1668 CD1 LEU C 4 8.675 2.402 -0.501 1.00 0.00 C ATOM 1669 CD2 LEU C 4 10.315 3.930 0.499 1.00 0.00 C ATOM 0 H LEU C 4 6.766 4.512 3.411 1.00 0.00 H new ATOM 0 HA LEU C 4 9.002 5.729 1.957 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.863 3.930 0.750 1.00 0.00 H new ATOM 0 HB3 LEU C 4 7.894 4.998 -0.180 1.00 0.00 H new ATOM 0 HG LEU C 4 8.892 2.774 1.632 1.00 0.00 H new ATOM 0 HD11 LEU C 4 9.443 1.630 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU C 4 7.695 1.935 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU C 4 8.704 2.985 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU C 4 11.062 3.137 0.472 1.00 0.00 H new ATOM 0 HD22 LEU C 4 10.342 4.486 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU C 4 10.531 4.604 1.328 1.00 0.00 H new ATOM 1681 N THR C 5 7.326 7.501 1.115 1.00 0.00 N ATOM 1682 CA THR C 5 6.461 8.652 0.927 1.00 0.00 C ATOM 1683 C THR C 5 6.286 8.861 -0.568 1.00 0.00 C ATOM 1684 O THR C 5 7.263 8.804 -1.319 1.00 0.00 O ATOM 1685 CB THR C 5 7.078 9.880 1.600 1.00 0.00 C ATOM 1686 OG1 THR C 5 7.371 9.586 2.948 1.00 0.00 O ATOM 1687 CG2 THR C 5 6.118 11.064 1.589 1.00 0.00 C ATOM 0 H THR C 5 8.216 7.566 0.620 1.00 0.00 H new ATOM 0 HA THR C 5 5.485 8.489 1.385 1.00 0.00 H new ATOM 0 HB THR C 5 7.980 10.136 1.044 1.00 0.00 H new ATOM 0 HG1 THR C 5 8.232 9.987 3.191 1.00 0.00 H new ATOM 0 HG21 THR C 5 6.589 11.919 2.075 1.00 0.00 H new ATOM 0 HG22 THR C 5 5.871 11.323 0.559 1.00 0.00 H new ATOM 0 HG23 THR C 5 5.207 10.799 2.125 1.00 0.00 H new ATOM 1695 N ARG C 6 5.049 9.102 -0.999 1.00 0.00 N ATOM 1696 CA ARG C 6 4.715 9.161 -2.416 1.00 0.00 C ATOM 1697 C ARG C 6 3.710 10.252 -2.703 1.00 0.00 C ATOM 1698 O ARG C 6 3.288 10.966 -1.799 1.00 0.00 O ATOM 1699 CB ARG C 6 4.142 7.820 -2.863 1.00 0.00 C ATOM 1700 CG ARG C 6 5.070 6.683 -2.481 1.00 0.00 C ATOM 1701 CD ARG C 6 4.583 5.418 -3.164 1.00 0.00 C ATOM 1702 NE ARG C 6 3.141 5.196 -2.992 1.00 0.00 N ATOM 1703 CZ ARG C 6 2.597 4.394 -2.070 1.00 0.00 C ATOM 1704 NH1 ARG C 6 3.345 3.819 -1.136 1.00 0.00 N ATOM 1705 NH2 ARG C 6 1.289 4.162 -2.079 1.00 0.00 N ATOM 0 H ARG C 6 4.256 9.261 -0.378 1.00 0.00 H new ATOM 0 HA ARG C 6 5.629 9.383 -2.967 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.164 7.667 -2.406 1.00 0.00 H new ATOM 0 HB3 ARG C 6 3.992 7.825 -3.943 1.00 0.00 H new ATOM 0 HG2 ARG C 6 6.092 6.909 -2.785 1.00 0.00 H new ATOM 0 HG3 ARG C 6 5.081 6.550 -1.399 1.00 0.00 H new ATOM 0 HD2 ARG C 6 4.813 5.474 -4.228 1.00 0.00 H new ATOM 0 HD3 ARG C 6 5.128 4.562 -2.765 1.00 0.00 H new ATOM 0 HE ARG C 6 2.508 5.690 -3.622 1.00 0.00 H new ATOM 0 HH11 ARG C 6 4.351 3.986 -1.114 1.00 0.00 H new ATOM 0 HH12 ARG C 6 2.914 3.210 -0.440 1.00 0.00 H new ATOM 0 HH21 ARG C 6 0.699 4.595 -2.789 1.00 0.00 H new ATOM 0 HH22 ARG C 6 0.875 3.550 -1.376 1.00 0.00 H new ATOM 1719 N LYS C 7 3.335 10.363 -3.974 1.00 0.00 N ATOM 1720 CA LYS C 7 2.360 11.341 -4.425 1.00 0.00 C ATOM 1721 C LYS C 7 1.262 10.621 -5.183 1.00 0.00 C ATOM 1722 O LYS C 7 1.473 9.500 -5.644 1.00 0.00 O ATOM 1723 CB LYS C 7 3.036 12.377 -5.309 1.00 0.00 C ATOM 1724 CG LYS C 7 4.209 13.061 -4.606 1.00 0.00 C ATOM 1725 CD LYS C 7 4.664 14.237 -5.468 1.00 0.00 C ATOM 1726 CE LYS C 7 3.809 15.481 -5.224 1.00 0.00 C ATOM 1727 NZ LYS C 7 4.089 16.080 -3.903 1.00 0.00 N ATOM 0 H LYS C 7 3.703 9.773 -4.720 1.00 0.00 H new ATOM 0 HA LYS C 7 1.926 11.859 -3.570 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.391 11.897 -6.221 1.00 0.00 H new ATOM 0 HB3 LYS C 7 2.306 13.129 -5.608 1.00 0.00 H new ATOM 0 HG2 LYS C 7 3.909 13.408 -3.617 1.00 0.00 H new ATOM 0 HG3 LYS C 7 5.028 12.357 -4.461 1.00 0.00 H new ATOM 0 HD2 LYS C 7 5.708 14.465 -5.251 1.00 0.00 H new ATOM 0 HD3 LYS C 7 4.610 13.959 -6.521 1.00 0.00 H new ATOM 0 HE2 LYS C 7 4.002 16.215 -6.006 1.00 0.00 H new ATOM 0 HE3 LYS C 7 2.753 15.217 -5.288 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 3.193 16.274 -3.413 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 4.658 15.419 -3.336 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 4.614 16.969 -4.029 1.00 0.00 H new ATOM 1741 N VAL C 8 0.090 11.246 -5.319 1.00 0.00 N ATOM 1742 CA VAL C 8 -1.019 10.558 -5.967 1.00 0.00 C ATOM 1743 C VAL C 8 -0.671 10.265 -7.427 1.00 0.00 C ATOM 1744 O VAL C 8 -0.456 11.174 -8.227 1.00 0.00 O ATOM 1745 CB VAL C 8 -2.343 11.306 -5.804 1.00 0.00 C ATOM 1746 CG1 VAL C 8 -2.689 11.340 -4.315 1.00 0.00 C ATOM 1747 CG2 VAL C 8 -2.352 12.736 -6.338 1.00 0.00 C ATOM 0 H VAL C 8 -0.109 12.194 -5.000 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.172 9.602 -5.466 1.00 0.00 H new ATOM 0 HB VAL C 8 -3.075 10.763 -6.402 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -3.631 11.869 -4.172 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -2.785 10.321 -3.940 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -1.898 11.854 -3.769 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -3.334 13.179 -6.175 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.597 13.324 -5.816 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -2.130 12.727 -7.405 1.00 0.00 H new ATOM 1757 N GLY C 9 -0.614 8.973 -7.757 1.00 0.00 N ATOM 1758 CA GLY C 9 -0.293 8.494 -9.090 1.00 0.00 C ATOM 1759 C GLY C 9 0.959 7.616 -9.119 1.00 0.00 C ATOM 1760 O GLY C 9 1.190 6.922 -10.110 1.00 0.00 O ATOM 0 H GLY C 9 -0.794 8.223 -7.089 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -1.138 7.927 -9.481 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -0.148 9.347 -9.753 1.00 0.00 H new ATOM 1764 N GLU C 10 1.771 7.623 -8.057 1.00 0.00 N ATOM 1765 CA GLU C 10 2.996 6.830 -8.008 1.00 0.00 C ATOM 1766 C GLU C 10 2.717 5.364 -7.666 1.00 0.00 C ATOM 1767 O GLU C 10 1.581 4.995 -7.358 1.00 0.00 O ATOM 1768 CB GLU C 10 3.961 7.426 -6.982 1.00 0.00 C ATOM 1769 CG GLU C 10 4.347 8.854 -7.369 1.00 0.00 C ATOM 1770 CD GLU C 10 5.569 9.343 -6.594 1.00 0.00 C ATOM 1771 OE1 GLU C 10 5.656 9.030 -5.388 1.00 0.00 O ATOM 1772 OE2 GLU C 10 6.412 10.027 -7.213 1.00 0.00 O ATOM 0 H GLU C 10 1.597 8.174 -7.216 1.00 0.00 H new ATOM 0 HA GLU C 10 3.446 6.859 -9.000 1.00 0.00 H new ATOM 0 HB2 GLU C 10 3.498 7.424 -5.995 1.00 0.00 H new ATOM 0 HB3 GLU C 10 4.856 6.808 -6.915 1.00 0.00 H new ATOM 0 HG2 GLU C 10 4.554 8.897 -8.438 1.00 0.00 H new ATOM 0 HG3 GLU C 10 3.506 9.521 -7.180 1.00 0.00 H new ATOM 1779 N SER C 11 3.761 4.530 -7.719 1.00 0.00 N ATOM 1780 CA SER C 11 3.651 3.095 -7.484 1.00 0.00 C ATOM 1781 C SER C 11 4.836 2.580 -6.668 1.00 0.00 C ATOM 1782 O SER C 11 5.827 3.290 -6.496 1.00 0.00 O ATOM 1783 CB SER C 11 3.578 2.360 -8.823 1.00 0.00 C ATOM 1784 OG SER C 11 2.516 2.856 -9.610 1.00 0.00 O ATOM 0 H SER C 11 4.710 4.839 -7.928 1.00 0.00 H new ATOM 0 HA SER C 11 2.741 2.906 -6.914 1.00 0.00 H new ATOM 0 HB2 SER C 11 4.520 2.478 -9.359 1.00 0.00 H new ATOM 0 HB3 SER C 11 3.441 1.293 -8.650 1.00 0.00 H new ATOM 0 HG SER C 11 2.488 2.374 -10.463 1.00 0.00 H new ATOM 1790 N ILE C 12 4.724 1.345 -6.169 1.00 0.00 N ATOM 1791 CA ILE C 12 5.699 0.685 -5.296 1.00 0.00 C ATOM 1792 C ILE C 12 5.714 -0.807 -5.613 1.00 0.00 C ATOM 1793 O ILE C 12 4.771 -1.319 -6.218 1.00 0.00 O ATOM 1794 CB ILE C 12 5.307 0.936 -3.833 1.00 0.00 C ATOM 1795 CG1 ILE C 12 5.417 2.421 -3.486 1.00 0.00 C ATOM 1796 CG2 ILE C 12 6.140 0.124 -2.832 1.00 0.00 C ATOM 1797 CD1 ILE C 12 6.838 2.981 -3.628 1.00 0.00 C ATOM 0 H ILE C 12 3.918 0.754 -6.371 1.00 0.00 H new ATOM 0 HA ILE C 12 6.699 1.085 -5.460 1.00 0.00 H new ATOM 0 HB ILE C 12 4.272 0.605 -3.745 1.00 0.00 H new ATOM 0 HG12 ILE C 12 4.746 2.987 -4.132 1.00 0.00 H new ATOM 0 HG13 ILE C 12 5.076 2.572 -2.462 1.00 0.00 H new ATOM 0 HG21 ILE C 12 5.811 0.349 -1.818 1.00 0.00 H new ATOM 0 HG22 ILE C 12 6.009 -0.940 -3.028 1.00 0.00 H new ATOM 0 HG23 ILE C 12 7.193 0.385 -2.938 1.00 0.00 H new ATOM 0 HD11 ILE C 12 6.840 4.039 -3.366 1.00 0.00 H new ATOM 0 HD12 ILE C 12 7.510 2.441 -2.962 1.00 0.00 H new ATOM 0 HD13 ILE C 12 7.175 2.862 -4.658 1.00 0.00 H new ATOM 1809 N ASN C 13 6.773 -1.517 -5.212 1.00 0.00 N ATOM 1810 CA ASN C 13 6.937 -2.926 -5.541 1.00 0.00 C ATOM 1811 C ASN C 13 7.180 -3.773 -4.293 1.00 0.00 C ATOM 1812 O ASN C 13 7.780 -3.310 -3.323 1.00 0.00 O ATOM 1813 CB ASN C 13 8.115 -3.060 -6.509 1.00 0.00 C ATOM 1814 CG ASN C 13 7.824 -2.392 -7.845 1.00 0.00 C ATOM 1815 OD1 ASN C 13 8.375 -1.342 -8.157 1.00 0.00 O ATOM 1816 ND2 ASN C 13 6.951 -3.001 -8.639 1.00 0.00 N ATOM 0 H ASN C 13 7.533 -1.129 -4.654 1.00 0.00 H new ATOM 0 HA ASN C 13 6.020 -3.292 -6.002 1.00 0.00 H new ATOM 0 HB2 ASN C 13 9.004 -2.613 -6.064 1.00 0.00 H new ATOM 0 HB3 ASN C 13 8.336 -4.115 -6.670 1.00 0.00 H new ATOM 0 HD21 ASN C 13 6.717 -2.596 -9.546 1.00 0.00 H new ATOM 0 HD22 ASN C 13 6.514 -3.874 -8.342 1.00 0.00 H new ATOM 1823 N ILE C 14 6.701 -5.021 -4.342 1.00 0.00 N ATOM 1824 CA ILE C 14 6.857 -6.002 -3.270 1.00 0.00 C ATOM 1825 C ILE C 14 7.156 -7.357 -3.899 1.00 0.00 C ATOM 1826 O ILE C 14 6.473 -7.777 -4.837 1.00 0.00 O ATOM 1827 CB ILE C 14 5.569 -6.089 -2.437 1.00 0.00 C ATOM 1828 CG1 ILE C 14 5.228 -4.725 -1.820 1.00 0.00 C ATOM 1829 CG2 ILE C 14 5.719 -7.167 -1.356 1.00 0.00 C ATOM 1830 CD1 ILE C 14 3.944 -4.770 -0.990 1.00 0.00 C ATOM 0 H ILE C 14 6.185 -5.381 -5.145 1.00 0.00 H new ATOM 0 HA ILE C 14 7.673 -5.703 -2.612 1.00 0.00 H new ATOM 0 HB ILE C 14 4.743 -6.369 -3.090 1.00 0.00 H new ATOM 0 HG12 ILE C 14 6.054 -4.397 -1.190 1.00 0.00 H new ATOM 0 HG13 ILE C 14 5.119 -3.986 -2.614 1.00 0.00 H new ATOM 0 HG21 ILE C 14 4.802 -7.224 -0.769 1.00 0.00 H new ATOM 0 HG22 ILE C 14 5.908 -8.131 -1.828 1.00 0.00 H new ATOM 0 HG23 ILE C 14 6.553 -6.913 -0.702 1.00 0.00 H new ATOM 0 HD11 ILE C 14 3.745 -3.782 -0.574 1.00 0.00 H new ATOM 0 HD12 ILE C 14 3.111 -5.072 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE C 14 4.060 -5.488 -0.178 1.00 0.00 H new ATOM 1842 N GLY C 15 8.178 -8.042 -3.380 1.00 0.00 N ATOM 1843 CA GLY C 15 8.603 -9.325 -3.914 1.00 0.00 C ATOM 1844 C GLY C 15 8.829 -9.226 -5.419 1.00 0.00 C ATOM 1845 O GLY C 15 9.317 -8.209 -5.913 1.00 0.00 O ATOM 0 H GLY C 15 8.727 -7.720 -2.583 1.00 0.00 H new ATOM 0 HA2 GLY C 15 9.522 -9.644 -3.422 1.00 0.00 H new ATOM 0 HA3 GLY C 15 7.848 -10.082 -3.702 1.00 0.00 H new ATOM 1849 N ASP C 16 8.470 -10.287 -6.142 1.00 0.00 N ATOM 1850 CA ASP C 16 8.568 -10.336 -7.594 1.00 0.00 C ATOM 1851 C ASP C 16 7.213 -10.680 -8.220 1.00 0.00 C ATOM 1852 O ASP C 16 7.145 -11.047 -9.392 1.00 0.00 O ATOM 1853 CB ASP C 16 9.690 -11.290 -8.015 1.00 0.00 C ATOM 1854 CG ASP C 16 9.416 -12.737 -7.612 1.00 0.00 C ATOM 1855 OD1 ASP C 16 9.473 -13.024 -6.393 1.00 0.00 O ATOM 1856 OD2 ASP C 16 9.151 -13.550 -8.524 1.00 0.00 O ATOM 0 H ASP C 16 8.100 -11.143 -5.729 1.00 0.00 H new ATOM 0 HA ASP C 16 8.834 -9.350 -7.974 1.00 0.00 H new ATOM 0 HB2 ASP C 16 9.820 -11.237 -9.096 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.627 -10.963 -7.565 1.00 0.00 H new ATOM 1861 N ASP C 17 6.131 -10.561 -7.435 1.00 0.00 N ATOM 1862 CA ASP C 17 4.784 -10.899 -7.877 1.00 0.00 C ATOM 1863 C ASP C 17 3.752 -9.837 -7.491 1.00 0.00 C ATOM 1864 O ASP C 17 2.580 -10.005 -7.820 1.00 0.00 O ATOM 1865 CB ASP C 17 4.365 -12.247 -7.284 1.00 0.00 C ATOM 1866 CG ASP C 17 5.287 -13.385 -7.714 1.00 0.00 C ATOM 1867 OD1 ASP C 17 5.216 -13.766 -8.906 1.00 0.00 O ATOM 1868 OD2 ASP C 17 6.051 -13.864 -6.848 1.00 0.00 O ATOM 0 H ASP C 17 6.174 -10.225 -6.473 1.00 0.00 H new ATOM 0 HA ASP C 17 4.811 -10.952 -8.965 1.00 0.00 H new ATOM 0 HB2 ASP C 17 4.362 -12.177 -6.196 1.00 0.00 H new ATOM 0 HB3 ASP C 17 3.344 -12.474 -7.591 1.00 0.00 H new ATOM 1873 N ILE C 18 4.141 -8.755 -6.806 1.00 0.00 N ATOM 1874 CA ILE C 18 3.164 -7.762 -6.371 1.00 0.00 C ATOM 1875 C ILE C 18 3.645 -6.341 -6.655 1.00 0.00 C ATOM 1876 O ILE C 18 4.839 -6.054 -6.617 1.00 0.00 O ATOM 1877 CB ILE C 18 2.857 -7.932 -4.873 1.00 0.00 C ATOM 1878 CG1 ILE C 18 2.403 -9.351 -4.513 1.00 0.00 C ATOM 1879 CG2 ILE C 18 1.750 -6.961 -4.457 1.00 0.00 C ATOM 1880 CD1 ILE C 18 3.589 -10.191 -4.038 1.00 0.00 C ATOM 0 H ILE C 18 5.106 -8.551 -6.547 1.00 0.00 H new ATOM 0 HA ILE C 18 2.250 -7.925 -6.941 1.00 0.00 H new ATOM 0 HB ILE C 18 3.787 -7.727 -4.343 1.00 0.00 H new ATOM 0 HG12 ILE C 18 1.644 -9.309 -3.732 1.00 0.00 H new ATOM 0 HG13 ILE C 18 1.941 -9.822 -5.381 1.00 0.00 H new ATOM 0 HG21 ILE C 18 1.537 -7.086 -3.395 1.00 0.00 H new ATOM 0 HG22 ILE C 18 2.075 -5.937 -4.644 1.00 0.00 H new ATOM 0 HG23 ILE C 18 0.849 -7.167 -5.035 1.00 0.00 H new ATOM 0 HD11 ILE C 18 3.247 -11.195 -3.787 1.00 0.00 H new ATOM 0 HD12 ILE C 18 4.334 -10.249 -4.831 1.00 0.00 H new ATOM 0 HD13 ILE C 18 4.033 -9.728 -3.157 1.00 0.00 H new ATOM 1892 N THR C 19 2.689 -5.457 -6.940 1.00 0.00 N ATOM 1893 CA THR C 19 2.923 -4.037 -7.153 1.00 0.00 C ATOM 1894 C THR C 19 1.772 -3.272 -6.501 1.00 0.00 C ATOM 1895 O THR C 19 0.668 -3.800 -6.373 1.00 0.00 O ATOM 1896 CB THR C 19 3.020 -3.752 -8.654 1.00 0.00 C ATOM 1897 OG1 THR C 19 4.087 -4.492 -9.211 1.00 0.00 O ATOM 1898 CG2 THR C 19 3.267 -2.276 -8.965 1.00 0.00 C ATOM 0 H THR C 19 1.708 -5.720 -7.030 1.00 0.00 H new ATOM 0 HA THR C 19 3.863 -3.717 -6.703 1.00 0.00 H new ATOM 0 HB THR C 19 2.061 -4.039 -9.084 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.146 -4.309 -10.172 1.00 0.00 H new ATOM 0 HG21 THR C 19 3.326 -2.137 -10.044 1.00 0.00 H new ATOM 0 HG22 THR C 19 2.447 -1.678 -8.566 1.00 0.00 H new ATOM 0 HG23 THR C 19 4.204 -1.959 -8.506 1.00 0.00 H new ATOM 1906 N ILE C 20 2.034 -2.030 -6.091 1.00 0.00 N ATOM 1907 CA ILE C 20 1.083 -1.194 -5.366 1.00 0.00 C ATOM 1908 C ILE C 20 1.034 0.182 -6.019 1.00 0.00 C ATOM 1909 O ILE C 20 2.031 0.624 -6.578 1.00 0.00 O ATOM 1910 CB ILE C 20 1.518 -1.079 -3.898 1.00 0.00 C ATOM 1911 CG1 ILE C 20 1.686 -2.451 -3.228 1.00 0.00 C ATOM 1912 CG2 ILE C 20 0.533 -0.224 -3.100 1.00 0.00 C ATOM 1913 CD1 ILE C 20 0.364 -3.196 -3.058 1.00 0.00 C ATOM 0 H ILE C 20 2.930 -1.571 -6.258 1.00 0.00 H new ATOM 0 HA ILE C 20 0.089 -1.640 -5.400 1.00 0.00 H new ATOM 0 HB ILE C 20 2.493 -0.592 -3.900 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.366 -3.060 -3.824 1.00 0.00 H new ATOM 0 HG13 ILE C 20 2.150 -2.318 -2.251 1.00 0.00 H new ATOM 0 HG21 ILE C 20 0.864 -0.159 -2.064 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.488 0.776 -3.530 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.457 -0.679 -3.136 1.00 0.00 H new ATOM 0 HD11 ILE C 20 0.547 -4.158 -2.579 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -0.310 -2.605 -2.438 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -0.091 -3.358 -4.035 1.00 0.00 H new ATOM 1925 N THR C 21 -0.116 0.861 -5.953 1.00 0.00 N ATOM 1926 CA THR C 21 -0.287 2.174 -6.570 1.00 0.00 C ATOM 1927 C THR C 21 -1.207 3.049 -5.723 1.00 0.00 C ATOM 1928 O THR C 21 -2.207 2.564 -5.196 1.00 0.00 O ATOM 1929 CB THR C 21 -0.906 1.998 -7.964 1.00 0.00 C ATOM 1930 OG1 THR C 21 -0.185 1.045 -8.715 1.00 0.00 O ATOM 1931 CG2 THR C 21 -0.913 3.311 -8.746 1.00 0.00 C ATOM 0 H THR C 21 -0.947 0.516 -5.473 1.00 0.00 H new ATOM 0 HA THR C 21 0.687 2.657 -6.646 1.00 0.00 H new ATOM 0 HB THR C 21 -1.931 1.661 -7.811 1.00 0.00 H new ATOM 0 HG1 THR C 21 -0.596 0.946 -9.599 1.00 0.00 H new ATOM 0 HG21 THR C 21 -1.358 3.148 -9.727 1.00 0.00 H new ATOM 0 HG22 THR C 21 -1.495 4.055 -8.203 1.00 0.00 H new ATOM 0 HG23 THR C 21 0.110 3.668 -8.867 1.00 0.00 H new ATOM 1939 N ILE C 22 -0.879 4.337 -5.589 1.00 0.00 N ATOM 1940 CA ILE C 22 -1.720 5.305 -4.892 1.00 0.00 C ATOM 1941 C ILE C 22 -2.544 6.027 -5.955 1.00 0.00 C ATOM 1942 O ILE C 22 -2.078 6.986 -6.565 1.00 0.00 O ATOM 1943 CB ILE C 22 -0.858 6.251 -4.033 1.00 0.00 C ATOM 1944 CG1 ILE C 22 -1.624 7.492 -3.563 1.00 0.00 C ATOM 1945 CG2 ILE C 22 0.405 6.711 -4.764 1.00 0.00 C ATOM 1946 CD1 ILE C 22 -2.834 7.116 -2.718 1.00 0.00 C ATOM 0 H ILE C 22 -0.018 4.736 -5.964 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.399 4.822 -4.189 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.579 5.657 -3.163 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -0.960 8.133 -2.983 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -1.949 8.069 -4.429 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.978 7.375 -4.117 1.00 0.00 H new ATOM 0 HG22 ILE C 22 1.012 5.843 -5.023 1.00 0.00 H new ATOM 0 HG23 ILE C 22 0.126 7.242 -5.674 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -3.353 8.021 -2.402 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.511 6.496 -3.307 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.506 6.561 -1.839 1.00 0.00 H new ATOM 1958 N LEU C 23 -3.777 5.569 -6.185 1.00 0.00 N ATOM 1959 CA LEU C 23 -4.590 6.114 -7.263 1.00 0.00 C ATOM 1960 C LEU C 23 -5.021 7.541 -6.922 1.00 0.00 C ATOM 1961 O LEU C 23 -5.270 8.339 -7.825 1.00 0.00 O ATOM 1962 CB LEU C 23 -5.811 5.229 -7.547 1.00 0.00 C ATOM 1963 CG LEU C 23 -5.628 3.757 -7.171 1.00 0.00 C ATOM 1964 CD1 LEU C 23 -6.959 3.036 -7.338 1.00 0.00 C ATOM 1965 CD2 LEU C 23 -4.577 3.084 -8.044 1.00 0.00 C ATOM 0 H LEU C 23 -4.226 4.830 -5.643 1.00 0.00 H new ATOM 0 HA LEU C 23 -3.985 6.135 -8.170 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.667 5.627 -7.002 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -6.051 5.293 -8.608 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.290 3.705 -6.136 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.840 1.986 -7.072 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.704 3.492 -6.687 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.287 3.113 -8.375 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -4.473 2.040 -7.749 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -4.883 3.137 -9.089 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.621 3.593 -7.920 1.00 0.00 H new ATOM 1977 N GLY C 24 -5.108 7.862 -5.626 1.00 0.00 N ATOM 1978 CA GLY C 24 -5.394 9.220 -5.184 1.00 0.00 C ATOM 1979 C GLY C 24 -5.998 9.266 -3.787 1.00 0.00 C ATOM 1980 O GLY C 24 -5.997 8.266 -3.071 1.00 0.00 O ATOM 0 H GLY C 24 -4.983 7.192 -4.867 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -4.474 9.804 -5.197 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -6.080 9.690 -5.888 1.00 0.00 H new ATOM 1984 N VAL C 25 -6.515 10.435 -3.400 1.00 0.00 N ATOM 1985 CA VAL C 25 -7.161 10.629 -2.105 1.00 0.00 C ATOM 1986 C VAL C 25 -8.540 11.260 -2.306 1.00 0.00 C ATOM 1987 O VAL C 25 -8.864 11.695 -3.410 1.00 0.00 O ATOM 1988 CB VAL C 25 -6.279 11.460 -1.156 1.00 0.00 C ATOM 1989 CG1 VAL C 25 -4.836 10.950 -1.162 1.00 0.00 C ATOM 1990 CG2 VAL C 25 -6.263 12.945 -1.500 1.00 0.00 C ATOM 0 H VAL C 25 -6.496 11.274 -3.980 1.00 0.00 H new ATOM 0 HA VAL C 25 -7.296 9.658 -1.629 1.00 0.00 H new ATOM 0 HB VAL C 25 -6.723 11.342 -0.168 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -4.234 11.554 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.816 9.910 -0.836 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -4.429 11.022 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -5.624 13.475 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -5.878 13.080 -2.511 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -7.276 13.343 -1.441 1.00 0.00 H new ATOM 2000 N SER C 26 -9.348 11.313 -1.245 1.00 0.00 N ATOM 2001 CA SER C 26 -10.718 11.814 -1.310 1.00 0.00 C ATOM 2002 C SER C 26 -11.060 12.492 0.015 1.00 0.00 C ATOM 2003 O SER C 26 -12.111 12.245 0.602 1.00 0.00 O ATOM 2004 CB SER C 26 -11.667 10.647 -1.584 1.00 0.00 C ATOM 2005 OG SER C 26 -12.896 11.109 -2.099 1.00 0.00 O ATOM 0 H SER C 26 -9.067 11.008 -0.313 1.00 0.00 H new ATOM 0 HA SER C 26 -10.821 12.542 -2.115 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.207 9.958 -2.292 1.00 0.00 H new ATOM 0 HB3 SER C 26 -11.840 10.090 -0.663 1.00 0.00 H new ATOM 0 HG SER C 26 -13.487 10.346 -2.268 1.00 0.00 H new ATOM 2011 N GLY C 27 -10.155 13.351 0.481 1.00 0.00 N ATOM 2012 CA GLY C 27 -10.222 13.913 1.815 1.00 0.00 C ATOM 2013 C GLY C 27 -9.132 13.250 2.652 1.00 0.00 C ATOM 2014 O GLY C 27 -8.053 12.966 2.134 1.00 0.00 O ATOM 0 H GLY C 27 -9.355 13.673 -0.063 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -10.076 14.993 1.783 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -11.203 13.737 2.256 1.00 0.00 H new ATOM 2018 N GLN C 28 -9.393 12.993 3.933 1.00 0.00 N ATOM 2019 CA GLN C 28 -8.423 12.292 4.766 1.00 0.00 C ATOM 2020 C GLN C 28 -8.509 10.778 4.559 1.00 0.00 C ATOM 2021 O GLN C 28 -7.876 10.009 5.292 1.00 0.00 O ATOM 2022 CB GLN C 28 -8.577 12.702 6.232 1.00 0.00 C ATOM 2023 CG GLN C 28 -7.227 13.194 6.765 1.00 0.00 C ATOM 2024 CD GLN C 28 -6.789 14.482 6.075 1.00 0.00 C ATOM 2025 OE1 GLN C 28 -5.957 14.379 5.035 1.00 0.00 O flip ATOM 2026 NE2 GLN C 28 -7.196 15.569 6.474 1.00 0.00 N flip ATOM 0 H GLN C 28 -10.256 13.256 4.409 1.00 0.00 H new ATOM 0 HA GLN C 28 -7.419 12.586 4.459 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -9.326 13.488 6.325 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -8.928 11.856 6.823 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -7.298 13.362 7.840 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -6.472 12.423 6.612 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -7.831 15.615 7.271 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -6.899 16.427 6.009 1.00 0.00 H new ATOM 2035 N GLN C 29 -9.290 10.347 3.562 1.00 0.00 N ATOM 2036 CA GLN C 29 -9.275 8.963 3.119 1.00 0.00 C ATOM 2037 C GLN C 29 -8.340 8.853 1.918 1.00 0.00 C ATOM 2038 O GLN C 29 -8.012 9.850 1.276 1.00 0.00 O ATOM 2039 CB GLN C 29 -10.683 8.451 2.787 1.00 0.00 C ATOM 2040 CG GLN C 29 -11.297 9.100 1.552 1.00 0.00 C ATOM 2041 CD GLN C 29 -12.553 8.349 1.112 1.00 0.00 C ATOM 2042 OE1 GLN C 29 -12.621 7.846 -0.006 1.00 0.00 O ATOM 2043 NE2 GLN C 29 -13.556 8.260 1.982 1.00 0.00 N ATOM 0 H GLN C 29 -9.939 10.944 3.050 1.00 0.00 H new ATOM 0 HA GLN C 29 -8.910 8.330 3.928 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.641 7.372 2.637 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -11.335 8.629 3.642 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -11.546 10.139 1.767 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -10.570 9.108 0.740 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -13.471 8.688 2.904 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.410 7.764 1.727 1.00 0.00 H new ATOM 2052 N VAL C 30 -7.909 7.630 1.609 1.00 0.00 N ATOM 2053 CA VAL C 30 -6.933 7.368 0.566 1.00 0.00 C ATOM 2054 C VAL C 30 -7.393 6.146 -0.216 1.00 0.00 C ATOM 2055 O VAL C 30 -8.033 5.257 0.348 1.00 0.00 O ATOM 2056 CB VAL C 30 -5.559 7.140 1.216 1.00 0.00 C ATOM 2057 CG1 VAL C 30 -4.486 6.860 0.170 1.00 0.00 C ATOM 2058 CG2 VAL C 30 -5.132 8.374 2.010 1.00 0.00 C ATOM 0 H VAL C 30 -8.235 6.788 2.084 1.00 0.00 H new ATOM 0 HA VAL C 30 -6.845 8.211 -0.120 1.00 0.00 H new ATOM 0 HB VAL C 30 -5.659 6.277 1.875 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -3.527 6.704 0.665 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -4.753 5.967 -0.395 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -4.409 7.709 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -4.157 8.195 2.464 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -5.069 9.233 1.342 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -5.865 8.575 2.792 1.00 0.00 H new ATOM 2068 N ARG C 31 -7.071 6.095 -1.508 1.00 0.00 N ATOM 2069 CA ARG C 31 -7.490 5.004 -2.371 1.00 0.00 C ATOM 2070 C ARG C 31 -6.278 4.462 -3.109 1.00 0.00 C ATOM 2071 O ARG C 31 -5.541 5.199 -3.766 1.00 0.00 O ATOM 2072 CB ARG C 31 -8.599 5.482 -3.303 1.00 0.00 C ATOM 2073 CG ARG C 31 -9.176 4.310 -4.099 1.00 0.00 C ATOM 2074 CD ARG C 31 -10.499 4.716 -4.747 1.00 0.00 C ATOM 2075 NE ARG C 31 -11.583 4.728 -3.759 1.00 0.00 N ATOM 2076 CZ ARG C 31 -12.114 5.824 -3.206 1.00 0.00 C ATOM 2077 NH1 ARG C 31 -11.693 7.044 -3.535 1.00 0.00 N ATOM 2078 NH2 ARG C 31 -13.080 5.689 -2.306 1.00 0.00 N ATOM 0 H ARG C 31 -6.515 6.808 -1.979 1.00 0.00 H new ATOM 0 HA ARG C 31 -7.907 4.183 -1.788 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -9.389 5.958 -2.723 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -8.207 6.235 -3.987 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -8.467 3.997 -4.866 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -9.332 3.455 -3.441 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -10.400 5.704 -5.197 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -10.743 4.022 -5.552 1.00 0.00 H new ATOM 0 HE ARG C 31 -11.963 3.827 -3.470 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -10.949 7.158 -4.223 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -12.115 7.864 -3.099 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -13.407 4.759 -2.045 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -13.495 6.515 -1.875 1.00 0.00 H new ATOM 2092 N ILE C 32 -6.096 3.148 -2.978 1.00 0.00 N ATOM 2093 CA ILE C 32 -4.891 2.445 -3.372 1.00 0.00 C ATOM 2094 C ILE C 32 -5.279 1.243 -4.226 1.00 0.00 C ATOM 2095 O ILE C 32 -6.359 0.680 -4.053 1.00 0.00 O ATOM 2096 CB ILE C 32 -4.176 1.996 -2.084 1.00 0.00 C ATOM 2097 CG1 ILE C 32 -3.871 3.209 -1.192 1.00 0.00 C ATOM 2098 CG2 ILE C 32 -2.886 1.227 -2.385 1.00 0.00 C ATOM 2099 CD1 ILE C 32 -3.386 2.798 0.197 1.00 0.00 C ATOM 0 H ILE C 32 -6.807 2.533 -2.583 1.00 0.00 H new ATOM 0 HA ILE C 32 -4.227 3.081 -3.958 1.00 0.00 H new ATOM 0 HB ILE C 32 -4.849 1.320 -1.556 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -3.113 3.828 -1.671 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.768 3.821 -1.095 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.413 0.929 -1.449 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.120 0.339 -2.972 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.205 1.865 -2.948 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -3.183 3.690 0.790 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -4.154 2.202 0.689 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -2.474 2.209 0.104 1.00 0.00 H new ATOM 2111 N GLY C 33 -4.397 0.854 -5.143 1.00 0.00 N ATOM 2112 CA GLY C 33 -4.616 -0.291 -6.004 1.00 0.00 C ATOM 2113 C GLY C 33 -3.509 -1.309 -5.785 1.00 0.00 C ATOM 2114 O GLY C 33 -2.419 -0.968 -5.326 1.00 0.00 O ATOM 0 H GLY C 33 -3.509 1.330 -5.306 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -5.586 -0.740 -5.790 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -4.634 0.023 -7.048 1.00 0.00 H new ATOM 2118 N ILE C 34 -3.796 -2.566 -6.118 1.00 0.00 N ATOM 2119 CA ILE C 34 -2.876 -3.667 -5.912 1.00 0.00 C ATOM 2120 C ILE C 34 -2.870 -4.502 -7.182 1.00 0.00 C ATOM 2121 O ILE C 34 -3.884 -4.604 -7.873 1.00 0.00 O ATOM 2122 CB ILE C 34 -3.316 -4.488 -4.693 1.00 0.00 C ATOM 2123 CG1 ILE C 34 -3.423 -3.592 -3.455 1.00 0.00 C ATOM 2124 CG2 ILE C 34 -2.301 -5.605 -4.432 1.00 0.00 C ATOM 2125 CD1 ILE C 34 -4.056 -4.330 -2.276 1.00 0.00 C ATOM 0 H ILE C 34 -4.682 -2.844 -6.541 1.00 0.00 H new ATOM 0 HA ILE C 34 -1.866 -3.309 -5.710 1.00 0.00 H new ATOM 0 HB ILE C 34 -4.294 -4.923 -4.898 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -2.430 -3.240 -3.174 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -4.018 -2.710 -3.694 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -2.615 -6.187 -3.566 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.243 -6.255 -5.305 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -1.321 -5.168 -4.240 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -4.114 -3.661 -1.417 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.059 -4.659 -2.549 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -3.447 -5.197 -2.020 1.00 0.00 H new ATOM 2137 N ASN C 35 -1.722 -5.097 -7.485 1.00 0.00 N ATOM 2138 CA ASN C 35 -1.540 -5.857 -8.705 1.00 0.00 C ATOM 2139 C ASN C 35 -0.777 -7.128 -8.369 1.00 0.00 C ATOM 2140 O ASN C 35 0.453 -7.136 -8.352 1.00 0.00 O ATOM 2141 CB ASN C 35 -0.807 -4.990 -9.730 1.00 0.00 C ATOM 2142 CG ASN C 35 -0.687 -5.677 -11.081 1.00 0.00 C ATOM 2143 OD1 ASN C 35 -1.270 -6.733 -11.312 1.00 0.00 O ATOM 2144 ND2 ASN C 35 0.075 -5.079 -11.991 1.00 0.00 N ATOM 0 H ASN C 35 -0.895 -5.063 -6.889 1.00 0.00 H new ATOM 0 HA ASN C 35 -2.496 -6.142 -9.144 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -1.338 -4.045 -9.850 1.00 0.00 H new ATOM 0 HB3 ASN C 35 0.189 -4.751 -9.356 1.00 0.00 H new ATOM 0 HD21 ASN C 35 0.190 -5.497 -12.914 1.00 0.00 H new ATOM 0 HD22 ASN C 35 0.545 -4.202 -11.766 1.00 0.00 H new ATOM 2151 N ALA C 36 -1.526 -8.197 -8.108 1.00 0.00 N ATOM 2152 CA ALA C 36 -0.962 -9.465 -7.682 1.00 0.00 C ATOM 2153 C ALA C 36 -1.698 -10.634 -8.336 1.00 0.00 C ATOM 2154 O ALA C 36 -2.852 -10.496 -8.744 1.00 0.00 O ATOM 2155 CB ALA C 36 -1.092 -9.570 -6.165 1.00 0.00 C ATOM 0 H ALA C 36 -2.543 -8.203 -8.188 1.00 0.00 H new ATOM 0 HA ALA C 36 0.085 -9.509 -7.981 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -0.672 -10.518 -5.829 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -0.552 -8.747 -5.696 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -2.144 -9.520 -5.886 1.00 0.00 H new ATOM 2161 N PRO C 37 -1.032 -11.791 -8.432 1.00 0.00 N ATOM 2162 CA PRO C 37 -1.626 -13.034 -8.892 1.00 0.00 C ATOM 2163 C PRO C 37 -2.627 -13.587 -7.892 1.00 0.00 C ATOM 2164 O PRO C 37 -2.606 -13.234 -6.714 1.00 0.00 O ATOM 2165 CB PRO C 37 -0.454 -14.007 -9.022 1.00 0.00 C ATOM 2166 CG PRO C 37 0.599 -13.477 -8.053 1.00 0.00 C ATOM 2167 CD PRO C 37 0.370 -11.973 -8.102 1.00 0.00 C ATOM 0 HA PRO C 37 -2.168 -12.882 -9.825 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -0.753 -15.023 -8.765 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -0.074 -14.035 -10.043 1.00 0.00 H new ATOM 0 HG2 PRO C 37 0.461 -13.875 -7.048 1.00 0.00 H new ATOM 0 HG3 PRO C 37 1.608 -13.744 -8.366 1.00 0.00 H new ATOM 0 HD2 PRO C 37 0.608 -11.511 -7.144 1.00 0.00 H new ATOM 0 HD3 PRO C 37 1.011 -11.505 -8.850 1.00 0.00 H new ATOM 2175 N LYS C 38 -3.516 -14.466 -8.369 1.00 0.00 N ATOM 2176 CA LYS C 38 -4.446 -15.177 -7.509 1.00 0.00 C ATOM 2177 C LYS C 38 -3.703 -16.199 -6.649 1.00 0.00 C ATOM 2178 O LYS C 38 -4.301 -16.856 -5.802 1.00 0.00 O ATOM 2179 CB LYS C 38 -5.523 -15.851 -8.363 1.00 0.00 C ATOM 2180 CG LYS C 38 -6.349 -14.825 -9.151 1.00 0.00 C ATOM 2181 CD LYS C 38 -6.994 -13.807 -8.214 1.00 0.00 C ATOM 2182 CE LYS C 38 -7.950 -12.916 -8.995 1.00 0.00 C ATOM 2183 NZ LYS C 38 -9.098 -13.675 -9.523 1.00 0.00 N ATOM 0 H LYS C 38 -3.604 -14.698 -9.358 1.00 0.00 H new ATOM 0 HA LYS C 38 -4.930 -14.468 -6.837 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -5.053 -16.549 -9.056 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -6.184 -16.434 -7.721 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.709 -14.311 -9.868 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -7.121 -15.338 -9.724 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -7.532 -14.322 -7.418 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -6.224 -13.200 -7.738 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -8.310 -12.115 -8.349 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -7.416 -12.445 -9.820 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -9.881 -13.022 -9.727 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -8.818 -14.164 -10.397 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -9.405 -14.375 -8.818 1.00 0.00 H new ATOM 2197 N ASP C 39 -2.392 -16.327 -6.869 1.00 0.00 N ATOM 2198 CA ASP C 39 -1.500 -17.115 -6.035 1.00 0.00 C ATOM 2199 C ASP C 39 -1.374 -16.491 -4.643 1.00 0.00 C ATOM 2200 O ASP C 39 -0.819 -17.112 -3.738 1.00 0.00 O ATOM 2201 CB ASP C 39 -0.131 -17.174 -6.710 1.00 0.00 C ATOM 2202 CG ASP C 39 -0.149 -18.105 -7.920 1.00 0.00 C ATOM 2203 OD1 ASP C 39 0.007 -19.327 -7.700 1.00 0.00 O ATOM 2204 OD2 ASP C 39 -0.320 -17.594 -9.051 1.00 0.00 O ATOM 0 H ASP C 39 -1.918 -15.874 -7.650 1.00 0.00 H new ATOM 0 HA ASP C 39 -1.903 -18.121 -5.918 1.00 0.00 H new ATOM 0 HB2 ASP C 39 0.166 -16.173 -7.023 1.00 0.00 H new ATOM 0 HB3 ASP C 39 0.615 -17.519 -5.994 1.00 0.00 H new ATOM 2209 N VAL C 40 -1.883 -15.267 -4.476 1.00 0.00 N ATOM 2210 CA VAL C 40 -1.854 -14.554 -3.206 1.00 0.00 C ATOM 2211 C VAL C 40 -3.185 -13.835 -2.995 1.00 0.00 C ATOM 2212 O VAL C 40 -3.938 -13.604 -3.944 1.00 0.00 O ATOM 2213 CB VAL C 40 -0.674 -13.571 -3.161 1.00 0.00 C ATOM 2214 CG1 VAL C 40 0.637 -14.268 -3.537 1.00 0.00 C ATOM 2215 CG2 VAL C 40 -0.877 -12.406 -4.126 1.00 0.00 C ATOM 0 H VAL C 40 -2.330 -14.743 -5.228 1.00 0.00 H new ATOM 0 HA VAL C 40 -1.712 -15.269 -2.395 1.00 0.00 H new ATOM 0 HB VAL C 40 -0.623 -13.197 -2.138 1.00 0.00 H new ATOM 0 HG11 VAL C 40 1.456 -13.549 -3.497 1.00 0.00 H new ATOM 0 HG12 VAL C 40 0.832 -15.079 -2.836 1.00 0.00 H new ATOM 0 HG13 VAL C 40 0.558 -14.672 -4.546 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -0.023 -11.731 -4.067 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -0.968 -12.788 -5.143 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.785 -11.866 -3.858 1.00 0.00 H new ATOM 2225 N ALA C 41 -3.480 -13.478 -1.744 1.00 0.00 N ATOM 2226 CA ALA C 41 -4.738 -12.842 -1.400 1.00 0.00 C ATOM 2227 C ALA C 41 -4.500 -11.396 -0.984 1.00 0.00 C ATOM 2228 O ALA C 41 -3.446 -11.080 -0.433 1.00 0.00 O ATOM 2229 CB ALA C 41 -5.381 -13.629 -0.259 1.00 0.00 C ATOM 0 H ALA C 41 -2.855 -13.623 -0.951 1.00 0.00 H new ATOM 0 HA ALA C 41 -5.403 -12.837 -2.264 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -6.329 -13.165 0.014 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -5.558 -14.656 -0.580 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -4.715 -13.628 0.604 1.00 0.00 H new ATOM 2235 N VAL C 42 -5.473 -10.520 -1.246 1.00 0.00 N ATOM 2236 CA VAL C 42 -5.360 -9.115 -0.879 1.00 0.00 C ATOM 2237 C VAL C 42 -6.723 -8.575 -0.462 1.00 0.00 C ATOM 2238 O VAL C 42 -7.700 -8.709 -1.196 1.00 0.00 O ATOM 2239 CB VAL C 42 -4.779 -8.295 -2.044 1.00 0.00 C ATOM 2240 CG1 VAL C 42 -3.352 -8.745 -2.359 1.00 0.00 C ATOM 2241 CG2 VAL C 42 -5.589 -8.421 -3.338 1.00 0.00 C ATOM 0 H VAL C 42 -6.347 -10.764 -1.712 1.00 0.00 H new ATOM 0 HA VAL C 42 -4.677 -9.026 -0.034 1.00 0.00 H new ATOM 0 HB VAL C 42 -4.810 -7.258 -1.709 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -2.958 -8.154 -3.186 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -2.723 -8.604 -1.480 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -3.356 -9.799 -2.637 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -5.124 -7.818 -4.118 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -5.613 -9.465 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -6.607 -8.070 -3.166 1.00 0.00 H new ATOM 2251 N HIS C 43 -6.792 -7.964 0.724 1.00 0.00 N ATOM 2252 CA HIS C 43 -8.033 -7.378 1.220 1.00 0.00 C ATOM 2253 C HIS C 43 -7.728 -6.268 2.220 1.00 0.00 C ATOM 2254 O HIS C 43 -6.649 -6.241 2.810 1.00 0.00 O ATOM 2255 CB HIS C 43 -8.905 -8.425 1.928 1.00 0.00 C ATOM 2256 CG HIS C 43 -8.830 -9.825 1.375 1.00 0.00 C ATOM 2257 ND1 HIS C 43 -9.762 -10.398 0.509 1.00 0.00 N ATOM 2258 CD2 HIS C 43 -7.847 -10.733 1.646 1.00 0.00 C ATOM 2259 CE1 HIS C 43 -9.321 -11.646 0.280 1.00 0.00 C ATOM 2260 NE2 HIS C 43 -8.176 -11.871 0.950 1.00 0.00 N ATOM 0 H HIS C 43 -5.999 -7.864 1.357 1.00 0.00 H new ATOM 0 HA HIS C 43 -8.569 -6.983 0.357 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -8.621 -8.455 2.980 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -9.943 -8.094 1.887 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -10.602 -9.961 0.129 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.985 -10.586 2.280 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.816 -12.368 -0.353 1.00 0.00 H new ATOM 2268 N ARG C 44 -8.677 -5.350 2.417 1.00 0.00 N ATOM 2269 CA ARG C 44 -8.571 -4.393 3.506 1.00 0.00 C ATOM 2270 C ARG C 44 -8.747 -5.167 4.806 1.00 0.00 C ATOM 2271 O ARG C 44 -9.334 -6.247 4.810 1.00 0.00 O ATOM 2272 CB ARG C 44 -9.607 -3.270 3.362 1.00 0.00 C ATOM 2273 CG ARG C 44 -11.038 -3.802 3.269 1.00 0.00 C ATOM 2274 CD ARG C 44 -12.031 -2.649 3.144 1.00 0.00 C ATOM 2275 NE ARG C 44 -13.381 -3.150 2.854 1.00 0.00 N ATOM 2276 CZ ARG C 44 -14.514 -2.682 3.384 1.00 0.00 C ATOM 2277 NH1 ARG C 44 -14.497 -1.679 4.257 1.00 0.00 N ATOM 2278 NH2 ARG C 44 -15.679 -3.224 3.035 1.00 0.00 N ATOM 0 H ARG C 44 -9.514 -5.254 1.842 1.00 0.00 H new ATOM 0 HA ARG C 44 -7.597 -3.903 3.494 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -9.528 -2.596 4.215 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -9.382 -2.684 2.471 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -11.131 -4.464 2.408 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -11.270 -4.395 4.154 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -12.043 -2.072 4.069 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -11.711 -1.973 2.351 1.00 0.00 H new ATOM 0 HE ARG C 44 -13.460 -3.921 2.191 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -13.610 -1.256 4.531 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -15.371 -1.333 4.653 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -15.703 -3.993 2.366 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -16.547 -2.870 3.437 1.00 0.00 H new ATOM 2292 N GLU C 45 -8.247 -4.627 5.917 1.00 0.00 N ATOM 2293 CA GLU C 45 -8.336 -5.314 7.199 1.00 0.00 C ATOM 2294 C GLU C 45 -9.777 -5.675 7.551 1.00 0.00 C ATOM 2295 O GLU C 45 -10.004 -6.611 8.310 1.00 0.00 O ATOM 2296 CB GLU C 45 -7.731 -4.437 8.289 1.00 0.00 C ATOM 2297 CG GLU C 45 -6.209 -4.570 8.290 1.00 0.00 C ATOM 2298 CD GLU C 45 -5.772 -5.956 8.760 1.00 0.00 C ATOM 2299 OE1 GLU C 45 -6.197 -6.350 9.870 1.00 0.00 O ATOM 2300 OE2 GLU C 45 -5.019 -6.607 8.003 1.00 0.00 O ATOM 0 H GLU C 45 -7.779 -3.721 5.953 1.00 0.00 H new ATOM 0 HA GLU C 45 -7.777 -6.247 7.123 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -8.012 -3.397 8.126 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -8.129 -4.727 9.261 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -5.825 -4.387 7.286 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -5.776 -3.810 8.941 1.00 0.00 H new ATOM 2307 N GLU C 46 -10.763 -4.951 7.016 1.00 0.00 N ATOM 2308 CA GLU C 46 -12.153 -5.213 7.366 1.00 0.00 C ATOM 2309 C GLU C 46 -12.631 -6.559 6.818 1.00 0.00 C ATOM 2310 O GLU C 46 -13.492 -7.185 7.427 1.00 0.00 O ATOM 2311 CB GLU C 46 -13.053 -4.092 6.836 1.00 0.00 C ATOM 2312 CG GLU C 46 -12.473 -2.699 7.101 1.00 0.00 C ATOM 2313 CD GLU C 46 -12.086 -2.485 8.557 1.00 0.00 C ATOM 2314 OE1 GLU C 46 -12.900 -2.839 9.437 1.00 0.00 O ATOM 2315 OE2 GLU C 46 -10.968 -1.964 8.770 1.00 0.00 O ATOM 0 H GLU C 46 -10.625 -4.191 6.350 1.00 0.00 H new ATOM 0 HA GLU C 46 -12.215 -5.249 8.454 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -13.198 -4.224 5.764 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -14.035 -4.168 7.303 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -11.595 -2.551 6.472 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -13.205 -1.945 6.810 1.00 0.00 H new ATOM 2322 N ILE C 47 -12.087 -7.013 5.682 1.00 0.00 N ATOM 2323 CA ILE C 47 -12.434 -8.315 5.114 1.00 0.00 C ATOM 2324 C ILE C 47 -11.480 -9.361 5.665 1.00 0.00 C ATOM 2325 O ILE C 47 -11.889 -10.475 5.985 1.00 0.00 O ATOM 2326 CB ILE C 47 -12.312 -8.264 3.580 1.00 0.00 C ATOM 2327 CG1 ILE C 47 -13.568 -7.705 2.913 1.00 0.00 C ATOM 2328 CG2 ILE C 47 -12.113 -9.667 2.991 1.00 0.00 C ATOM 2329 CD1 ILE C 47 -13.898 -6.301 3.406 1.00 0.00 C ATOM 0 H ILE C 47 -11.400 -6.491 5.137 1.00 0.00 H new ATOM 0 HA ILE C 47 -13.460 -8.570 5.380 1.00 0.00 H new ATOM 0 HB ILE C 47 -11.456 -7.619 3.385 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -13.427 -7.686 1.832 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -14.410 -8.367 3.113 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -12.030 -9.598 1.906 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -11.202 -10.106 3.397 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -12.965 -10.295 3.251 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -14.798 -5.942 2.906 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -14.066 -6.323 4.483 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -13.067 -5.632 3.182 1.00 0.00 H new ATOM 2341 N TYR C 48 -10.200 -8.996 5.776 1.00 0.00 N ATOM 2342 CA TYR C 48 -9.144 -9.907 6.173 1.00 0.00 C ATOM 2343 C TYR C 48 -9.410 -10.539 7.535 1.00 0.00 C ATOM 2344 O TYR C 48 -9.023 -11.682 7.781 1.00 0.00 O ATOM 2345 CB TYR C 48 -7.846 -9.112 6.200 1.00 0.00 C ATOM 2346 CG TYR C 48 -6.651 -9.934 6.604 1.00 0.00 C ATOM 2347 CD1 TYR C 48 -5.949 -10.676 5.645 1.00 0.00 C ATOM 2348 CD2 TYR C 48 -6.246 -9.949 7.944 1.00 0.00 C ATOM 2349 CE1 TYR C 48 -4.832 -11.432 6.023 1.00 0.00 C ATOM 2350 CE2 TYR C 48 -5.139 -10.708 8.335 1.00 0.00 C ATOM 2351 CZ TYR C 48 -4.423 -11.452 7.374 1.00 0.00 C ATOM 2352 OH TYR C 48 -3.340 -12.192 7.748 1.00 0.00 O ATOM 0 H TYR C 48 -9.873 -8.048 5.589 1.00 0.00 H new ATOM 0 HA TYR C 48 -9.088 -10.730 5.461 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -7.668 -8.687 5.212 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -7.954 -8.277 6.892 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -6.269 -10.665 4.614 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -6.790 -9.373 8.678 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -4.285 -11.998 5.283 1.00 0.00 H new ATOM 0 HE2 TYR C 48 -4.833 -10.725 9.371 1.00 0.00 H new ATOM 0 HH TYR C 48 -3.194 -12.094 8.712 1.00 0.00 H new