USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=21 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= -0.242 K(o=-0.24,f=-1.2) 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 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.63) 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 USER MOD Set 4.2: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 7 LYS NZ :NH3+ -120:sc= 0.15 (180deg=-0.153) USER MOD Set 5.2: C 29 GLN : amide:sc= -2.79! C(o=-2.6!,f=-5.6!) USER MOD Single : A 1 MET CE :methyl -176:sc=-0.00643 (180deg=-0.0364) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.0346 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 90:sc= 0.782 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.19) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.722 F(o=-1.3,f=-0.72) USER MOD Single : A 35 ASN : amide:sc= -0.254 K(o=-0.25,f=-3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-2.6!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ 142:sc= 0.0319 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ -163:sc= 1.24 (180deg=0.961) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.22) USER MOD Single : C 35 ASN : amide:sc= -0.215 K(o=-0.21,f=-2.7!) USER MOD Single : C 38 LYS NZ :NH3+ -159:sc= -0.0339 (180deg=-0.351) USER MOD Single : C 43 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-2) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.383 10.128 -2.156 1.00 0.00 N ATOM 2 CA MET A 1 6.908 10.113 -2.246 1.00 0.00 C ATOM 3 C MET A 1 6.470 9.702 -3.640 1.00 0.00 C ATOM 4 O MET A 1 7.104 10.087 -4.614 1.00 0.00 O ATOM 5 CB MET A 1 6.342 11.499 -1.914 1.00 0.00 C ATOM 6 CG MET A 1 4.813 11.509 -1.925 1.00 0.00 C ATOM 7 SD MET A 1 4.029 10.581 -0.590 1.00 0.00 S ATOM 8 CE MET A 1 2.319 10.786 -1.136 1.00 0.00 C ATOM 0 H1 MET A 1 8.684 10.889 -1.514 1.00 0.00 H new ATOM 0 H2 MET A 1 8.718 9.214 -1.791 1.00 0.00 H new ATOM 0 H3 MET A 1 8.787 10.292 -3.100 1.00 0.00 H new ATOM 0 HA MET A 1 6.525 9.390 -1.526 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.700 11.812 -0.933 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.715 12.226 -2.636 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.472 12.543 -1.876 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.470 11.105 -2.877 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.647 10.341 -0.402 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.094 11.848 -1.237 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.183 10.293 -2.099 1.00 0.00 H new ATOM 20 N LEU A 2 5.391 8.923 -3.748 1.00 0.00 N ATOM 21 CA LEU A 2 4.787 8.591 -5.028 1.00 0.00 C ATOM 22 C LEU A 2 3.273 8.614 -4.888 1.00 0.00 C ATOM 23 O LEU A 2 2.746 8.450 -3.791 1.00 0.00 O ATOM 24 CB LEU A 2 5.247 7.200 -5.475 1.00 0.00 C ATOM 25 CG LEU A 2 6.332 7.245 -6.549 1.00 0.00 C ATOM 26 CD1 LEU A 2 6.750 5.816 -6.882 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.829 7.900 -7.832 1.00 0.00 C ATOM 0 H LEU A 2 4.916 8.508 -2.947 1.00 0.00 H new ATOM 0 HA LEU A 2 5.095 9.322 -5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.622 6.653 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.390 6.645 -5.856 1.00 0.00 H new ATOM 0 HG LEU A 2 7.166 7.830 -6.161 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.525 5.833 -7.648 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.137 5.332 -5.985 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.887 5.261 -7.251 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.629 7.913 -8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.983 7.334 -8.222 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.514 8.922 -7.620 1.00 0.00 H new ATOM 39 N ILE A 3 2.580 8.821 -6.009 1.00 0.00 N ATOM 40 CA ILE A 3 1.127 8.765 -6.065 1.00 0.00 C ATOM 41 C ILE A 3 0.746 7.986 -7.321 1.00 0.00 C ATOM 42 O ILE A 3 1.262 8.247 -8.407 1.00 0.00 O ATOM 43 CB ILE A 3 0.508 10.174 -6.053 1.00 0.00 C ATOM 44 CG1 ILE A 3 0.699 10.881 -4.703 1.00 0.00 C ATOM 45 CG2 ILE A 3 -1.005 10.072 -6.252 1.00 0.00 C ATOM 46 CD1 ILE A 3 2.005 11.663 -4.611 1.00 0.00 C ATOM 0 H ILE A 3 3.018 9.033 -6.906 1.00 0.00 H new ATOM 0 HA ILE A 3 0.733 8.261 -5.182 1.00 0.00 H new ATOM 0 HB ILE A 3 1.004 10.733 -6.847 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.136 11.561 -4.536 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.671 10.139 -3.905 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.441 11.071 -6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.215 9.593 -7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.439 9.479 -5.447 1.00 0.00 H new ATOM 0 HD11 ILE A 3 2.077 12.138 -3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.846 10.984 -4.747 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.027 12.428 -5.388 1.00 0.00 H new ATOM 58 N LEU A 4 -0.163 7.022 -7.158 1.00 0.00 N ATOM 59 CA LEU A 4 -0.598 6.095 -8.194 1.00 0.00 C ATOM 60 C LEU A 4 -2.119 6.144 -8.272 1.00 0.00 C ATOM 61 O LEU A 4 -2.768 6.539 -7.306 1.00 0.00 O ATOM 62 CB LEU A 4 -0.169 4.672 -7.800 1.00 0.00 C ATOM 63 CG LEU A 4 1.201 4.204 -8.310 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.167 4.048 -9.826 1.00 0.00 C ATOM 65 CD2 LEU A 4 2.338 5.144 -7.921 1.00 0.00 C ATOM 0 H LEU A 4 -0.631 6.863 -6.266 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.157 6.364 -9.154 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.169 4.604 -6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.924 3.975 -8.163 1.00 0.00 H new ATOM 0 HG LEU A 4 1.400 3.244 -7.833 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.143 3.716 -10.180 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.412 3.311 -10.099 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.922 5.006 -10.285 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.279 4.757 -8.311 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.151 6.133 -8.339 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.397 5.214 -6.835 1.00 0.00 H new ATOM 77 N THR A 5 -2.699 5.741 -9.408 1.00 0.00 N ATOM 78 CA THR A 5 -4.150 5.687 -9.532 1.00 0.00 C ATOM 79 C THR A 5 -4.566 4.462 -10.329 1.00 0.00 C ATOM 80 O THR A 5 -4.459 4.443 -11.553 1.00 0.00 O ATOM 81 CB THR A 5 -4.714 6.948 -10.191 1.00 0.00 C ATOM 82 OG1 THR A 5 -4.063 8.097 -9.701 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.196 7.048 -9.865 1.00 0.00 C ATOM 0 H THR A 5 -2.189 5.452 -10.242 1.00 0.00 H new ATOM 0 HA THR A 5 -4.560 5.624 -8.524 1.00 0.00 H new ATOM 0 HB THR A 5 -4.558 6.886 -11.268 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.281 8.293 -10.259 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.611 7.943 -10.329 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.713 6.168 -10.248 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.328 7.105 -8.784 1.00 0.00 H new ATOM 91 N ARG A 6 -5.042 3.432 -9.629 1.00 0.00 N ATOM 92 CA ARG A 6 -5.473 2.195 -10.271 1.00 0.00 C ATOM 93 C ARG A 6 -6.827 1.782 -9.722 1.00 0.00 C ATOM 94 O ARG A 6 -7.302 2.369 -8.756 1.00 0.00 O ATOM 95 CB ARG A 6 -4.403 1.090 -10.181 1.00 0.00 C ATOM 96 CG ARG A 6 -3.504 1.120 -8.936 1.00 0.00 C ATOM 97 CD ARG A 6 -3.755 -0.092 -8.035 1.00 0.00 C ATOM 98 NE ARG A 6 -5.169 -0.206 -7.668 1.00 0.00 N ATOM 99 CZ ARG A 6 -5.800 0.656 -6.868 1.00 0.00 C ATOM 100 NH1 ARG A 6 -5.157 1.696 -6.345 1.00 0.00 N ATOM 101 NH2 ARG A 6 -7.084 0.482 -6.592 1.00 0.00 N ATOM 0 H ARG A 6 -5.138 3.433 -8.614 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.595 2.370 -11.340 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.904 0.123 -10.219 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.768 1.155 -11.064 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.458 1.137 -9.241 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -3.688 2.036 -8.375 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.437 -1.000 -8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.150 -0.007 -7.133 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.702 -0.989 -8.046 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.169 1.843 -6.554 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.651 2.347 -5.735 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.589 -0.310 -6.991 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.568 1.140 -5.981 1.00 0.00 H new ATOM 115 N LYS A 7 -7.455 0.777 -10.334 1.00 0.00 N ATOM 116 CA LYS A 7 -8.830 0.418 -10.002 1.00 0.00 C ATOM 117 C LYS A 7 -8.909 -0.966 -9.375 1.00 0.00 C ATOM 118 O LYS A 7 -7.904 -1.666 -9.287 1.00 0.00 O ATOM 119 CB LYS A 7 -9.755 0.538 -11.218 1.00 0.00 C ATOM 120 CG LYS A 7 -9.402 -0.451 -12.329 1.00 0.00 C ATOM 121 CD LYS A 7 -10.605 -0.646 -13.256 1.00 0.00 C ATOM 122 CE LYS A 7 -10.944 0.614 -14.043 1.00 0.00 C ATOM 123 NZ LYS A 7 -9.857 0.996 -14.967 1.00 0.00 N ATOM 0 H LYS A 7 -7.032 0.199 -11.061 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.180 1.133 -9.258 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.785 0.372 -10.903 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.702 1.553 -11.611 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.549 -0.082 -12.899 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.107 -1.407 -11.896 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.396 -1.460 -13.951 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.471 -0.946 -12.665 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.861 0.453 -14.609 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.137 1.434 -13.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.513 1.947 -14.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.076 0.314 -14.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.215 0.997 -15.943 1.00 0.00 H new ATOM 137 N VAL A 8 -10.109 -1.357 -8.942 1.00 0.00 N ATOM 138 CA VAL A 8 -10.282 -2.607 -8.210 1.00 0.00 C ATOM 139 C VAL A 8 -9.813 -3.805 -9.029 1.00 0.00 C ATOM 140 O VAL A 8 -10.058 -3.886 -10.232 1.00 0.00 O ATOM 141 CB VAL A 8 -11.723 -2.760 -7.717 1.00 0.00 C ATOM 142 CG1 VAL A 8 -12.117 -1.519 -6.915 1.00 0.00 C ATOM 143 CG2 VAL A 8 -12.751 -2.932 -8.830 1.00 0.00 C ATOM 0 H VAL A 8 -10.969 -0.828 -9.086 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.646 -2.572 -7.325 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.734 -3.669 -7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.143 -1.624 -6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.449 -1.411 -6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.041 -0.636 -7.550 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.745 -3.033 -8.395 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.729 -2.060 -9.484 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.515 -3.825 -9.408 1.00 0.00 H new ATOM 153 N GLY A 9 -9.128 -4.737 -8.358 1.00 0.00 N ATOM 154 CA GLY A 9 -8.605 -5.952 -8.974 1.00 0.00 C ATOM 155 C GLY A 9 -7.142 -5.812 -9.402 1.00 0.00 C ATOM 156 O GLY A 9 -6.507 -6.816 -9.727 1.00 0.00 O ATOM 0 H GLY A 9 -8.921 -4.664 -7.362 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.696 -6.780 -8.271 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.212 -6.204 -9.844 1.00 0.00 H new ATOM 160 N GLU A 10 -6.603 -4.590 -9.411 1.00 0.00 N ATOM 161 CA GLU A 10 -5.219 -4.337 -9.799 1.00 0.00 C ATOM 162 C GLU A 10 -4.263 -4.516 -8.614 1.00 0.00 C ATOM 163 O GLU A 10 -4.687 -4.858 -7.508 1.00 0.00 O ATOM 164 CB GLU A 10 -5.100 -2.920 -10.366 1.00 0.00 C ATOM 165 CG GLU A 10 -5.951 -2.744 -11.625 1.00 0.00 C ATOM 166 CD GLU A 10 -5.524 -3.703 -12.736 1.00 0.00 C ATOM 167 OE1 GLU A 10 -4.356 -3.595 -13.177 1.00 0.00 O ATOM 168 OE2 GLU A 10 -6.365 -4.536 -13.140 1.00 0.00 O ATOM 0 H GLU A 10 -7.117 -3.749 -9.149 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.937 -5.062 -10.562 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.412 -2.198 -9.611 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.057 -2.707 -10.599 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.000 -2.913 -11.382 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.868 -1.717 -11.979 1.00 0.00 H new ATOM 175 N SER A 11 -2.966 -4.284 -8.853 1.00 0.00 N ATOM 176 CA SER A 11 -1.928 -4.439 -7.842 1.00 0.00 C ATOM 177 C SER A 11 -0.814 -3.407 -8.017 1.00 0.00 C ATOM 178 O SER A 11 -0.712 -2.761 -9.062 1.00 0.00 O ATOM 179 CB SER A 11 -1.340 -5.850 -7.930 1.00 0.00 C ATOM 180 OG SER A 11 -2.331 -6.825 -7.669 1.00 0.00 O ATOM 0 H SER A 11 -2.612 -3.982 -9.761 1.00 0.00 H new ATOM 0 HA SER A 11 -2.381 -4.281 -6.863 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.917 -6.011 -8.922 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.524 -5.954 -7.215 1.00 0.00 H new ATOM 0 HG SER A 11 -1.935 -7.719 -7.732 1.00 0.00 H new ATOM 186 N ILE A 12 0.016 -3.264 -6.980 1.00 0.00 N ATOM 187 CA ILE A 12 1.163 -2.358 -6.934 1.00 0.00 C ATOM 188 C ILE A 12 2.259 -3.076 -6.138 1.00 0.00 C ATOM 189 O ILE A 12 1.965 -4.054 -5.451 1.00 0.00 O ATOM 190 CB ILE A 12 0.741 -1.012 -6.308 1.00 0.00 C ATOM 191 CG1 ILE A 12 -0.415 -0.397 -7.116 1.00 0.00 C ATOM 192 CG2 ILE A 12 1.902 -0.014 -6.262 1.00 0.00 C ATOM 193 CD1 ILE A 12 -0.815 1.000 -6.638 1.00 0.00 C ATOM 0 H ILE A 12 -0.098 -3.797 -6.118 1.00 0.00 H new ATOM 0 HA ILE A 12 1.544 -2.118 -7.927 1.00 0.00 H new ATOM 0 HB ILE A 12 0.423 -1.215 -5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.127 -0.345 -8.166 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.281 -1.056 -7.055 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.562 0.920 -5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.714 -0.428 -5.665 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.257 0.178 -7.274 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.635 1.373 -7.251 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.134 0.951 -5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.038 1.672 -6.725 1.00 0.00 H new ATOM 205 N ASN A 13 3.518 -2.627 -6.202 1.00 0.00 N ATOM 206 CA ASN A 13 4.622 -3.340 -5.566 1.00 0.00 C ATOM 207 C ASN A 13 5.597 -2.400 -4.859 1.00 0.00 C ATOM 208 O ASN A 13 5.698 -1.221 -5.200 1.00 0.00 O ATOM 209 CB ASN A 13 5.378 -4.142 -6.628 1.00 0.00 C ATOM 210 CG ASN A 13 4.540 -5.292 -7.163 1.00 0.00 C ATOM 211 OD1 ASN A 13 3.786 -5.127 -8.115 1.00 0.00 O ATOM 212 ND2 ASN A 13 4.667 -6.468 -6.557 1.00 0.00 N ATOM 0 H ASN A 13 3.793 -1.774 -6.688 1.00 0.00 H new ATOM 0 HA ASN A 13 4.195 -3.998 -4.809 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.660 -3.484 -7.450 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.302 -4.532 -6.201 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.127 -7.270 -6.882 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.305 -6.569 -5.767 1.00 0.00 H new ATOM 219 N ILE A 14 6.311 -2.940 -3.866 1.00 0.00 N ATOM 220 CA ILE A 14 7.318 -2.215 -3.094 1.00 0.00 C ATOM 221 C ILE A 14 8.486 -3.162 -2.808 1.00 0.00 C ATOM 222 O ILE A 14 8.292 -4.371 -2.650 1.00 0.00 O ATOM 223 CB ILE A 14 6.707 -1.689 -1.783 1.00 0.00 C ATOM 224 CG1 ILE A 14 5.468 -0.835 -2.079 1.00 0.00 C ATOM 225 CG2 ILE A 14 7.748 -0.859 -1.018 1.00 0.00 C ATOM 226 CD1 ILE A 14 4.824 -0.271 -0.809 1.00 0.00 C ATOM 0 H ILE A 14 6.201 -3.911 -3.573 1.00 0.00 H new ATOM 0 HA ILE A 14 7.677 -1.356 -3.661 1.00 0.00 H new ATOM 0 HB ILE A 14 6.407 -2.538 -1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.747 -0.012 -2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.736 -1.438 -2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.309 -0.490 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.612 -1.482 -0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.063 -0.015 -1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.952 0.325 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.517 -1.092 -0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.544 0.356 -0.283 1.00 0.00 H new ATOM 238 N GLY A 15 9.703 -2.618 -2.738 1.00 0.00 N ATOM 239 CA GLY A 15 10.903 -3.401 -2.502 1.00 0.00 C ATOM 240 C GLY A 15 11.013 -4.535 -3.516 1.00 0.00 C ATOM 241 O GLY A 15 10.698 -4.368 -4.695 1.00 0.00 O ATOM 0 H GLY A 15 9.877 -1.619 -2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.781 -2.759 -2.570 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.884 -3.810 -1.492 1.00 0.00 H new ATOM 245 N ASP A 16 11.464 -5.696 -3.041 1.00 0.00 N ATOM 246 CA ASP A 16 11.572 -6.909 -3.839 1.00 0.00 C ATOM 247 C ASP A 16 10.897 -8.071 -3.108 1.00 0.00 C ATOM 248 O ASP A 16 11.035 -9.227 -3.504 1.00 0.00 O ATOM 249 CB ASP A 16 13.045 -7.205 -4.133 1.00 0.00 C ATOM 250 CG ASP A 16 13.649 -6.154 -5.056 1.00 0.00 C ATOM 251 OD1 ASP A 16 13.415 -6.268 -6.279 1.00 0.00 O ATOM 252 OD2 ASP A 16 14.341 -5.248 -4.538 1.00 0.00 O ATOM 0 H ASP A 16 11.768 -5.818 -2.075 1.00 0.00 H new ATOM 0 HA ASP A 16 11.061 -6.772 -4.792 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.605 -7.236 -3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.135 -8.190 -4.592 1.00 0.00 H new ATOM 257 N ASP A 17 10.166 -7.758 -2.031 1.00 0.00 N ATOM 258 CA ASP A 17 9.511 -8.751 -1.189 1.00 0.00 C ATOM 259 C ASP A 17 8.140 -8.268 -0.710 1.00 0.00 C ATOM 260 O ASP A 17 7.552 -8.904 0.164 1.00 0.00 O ATOM 261 CB ASP A 17 10.400 -9.073 0.019 1.00 0.00 C ATOM 262 CG ASP A 17 11.763 -9.614 -0.400 1.00 0.00 C ATOM 263 OD1 ASP A 17 11.841 -10.834 -0.669 1.00 0.00 O ATOM 264 OD2 ASP A 17 12.717 -8.804 -0.444 1.00 0.00 O ATOM 0 H ASP A 17 10.015 -6.798 -1.722 1.00 0.00 H new ATOM 0 HA ASP A 17 9.359 -9.650 -1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.536 -8.173 0.618 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.899 -9.805 0.652 1.00 0.00 H new ATOM 269 N ILE A 18 7.617 -7.161 -1.262 1.00 0.00 N ATOM 270 CA ILE A 18 6.314 -6.655 -0.854 1.00 0.00 C ATOM 271 C ILE A 18 5.422 -6.406 -2.068 1.00 0.00 C ATOM 272 O ILE A 18 5.896 -5.992 -3.127 1.00 0.00 O ATOM 273 CB ILE A 18 6.462 -5.369 -0.024 1.00 0.00 C ATOM 274 CG1 ILE A 18 7.371 -5.554 1.195 1.00 0.00 C ATOM 275 CG2 ILE A 18 5.087 -4.910 0.466 1.00 0.00 C ATOM 276 CD1 ILE A 18 8.816 -5.187 0.863 1.00 0.00 C ATOM 0 H ILE A 18 8.079 -6.609 -1.985 1.00 0.00 H new ATOM 0 HA ILE A 18 5.840 -7.414 -0.231 1.00 0.00 H new ATOM 0 HB ILE A 18 6.917 -4.624 -0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.014 -4.933 2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.324 -6.589 1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.196 -3.999 1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.442 -4.715 -0.391 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.642 -5.690 1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.439 -5.328 1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.178 -5.826 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.863 -4.145 0.548 1.00 0.00 H new ATOM 288 N THR A 19 4.125 -6.665 -1.900 1.00 0.00 N ATOM 289 CA THR A 19 3.123 -6.456 -2.936 1.00 0.00 C ATOM 290 C THR A 19 1.858 -5.901 -2.286 1.00 0.00 C ATOM 291 O THR A 19 1.617 -6.114 -1.099 1.00 0.00 O ATOM 292 CB THR A 19 2.838 -7.789 -3.644 1.00 0.00 C ATOM 293 OG1 THR A 19 4.032 -8.312 -4.182 1.00 0.00 O ATOM 294 CG2 THR A 19 1.839 -7.635 -4.785 1.00 0.00 C ATOM 0 H THR A 19 3.740 -7.030 -1.029 1.00 0.00 H new ATOM 0 HA THR A 19 3.481 -5.744 -3.679 1.00 0.00 H new ATOM 0 HB THR A 19 2.416 -8.459 -2.895 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.844 -9.163 -4.631 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.670 -8.604 -5.254 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.896 -7.252 -4.394 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.235 -6.938 -5.524 1.00 0.00 H new ATOM 302 N ILE A 20 1.051 -5.188 -3.073 1.00 0.00 N ATOM 303 CA ILE A 20 -0.188 -4.580 -2.621 1.00 0.00 C ATOM 304 C ILE A 20 -1.273 -4.923 -3.636 1.00 0.00 C ATOM 305 O ILE A 20 -0.999 -5.011 -4.834 1.00 0.00 O ATOM 306 CB ILE A 20 -0.010 -3.056 -2.536 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.134 -2.653 -1.593 1.00 0.00 C ATOM 308 CG2 ILE A 20 -1.316 -2.386 -2.096 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.845 -2.985 -0.129 1.00 0.00 C ATOM 0 H ILE A 20 1.249 -5.018 -4.059 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.464 -4.953 -1.634 1.00 0.00 H new ATOM 0 HB ILE A 20 0.254 -2.711 -3.536 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.048 -3.161 -1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.316 -1.583 -1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.171 -1.307 -2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.101 -2.610 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.606 -2.763 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.689 -2.677 0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.052 -2.456 0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.691 -4.059 -0.023 1.00 0.00 H new ATOM 321 N THR A 21 -2.504 -5.114 -3.161 1.00 0.00 N ATOM 322 CA THR A 21 -3.629 -5.454 -4.023 1.00 0.00 C ATOM 323 C THR A 21 -4.878 -4.735 -3.538 1.00 0.00 C ATOM 324 O THR A 21 -5.039 -4.506 -2.341 1.00 0.00 O ATOM 325 CB THR A 21 -3.845 -6.972 -4.004 1.00 0.00 C ATOM 326 OG1 THR A 21 -2.649 -7.638 -4.347 1.00 0.00 O ATOM 327 CG2 THR A 21 -4.928 -7.403 -4.994 1.00 0.00 C ATOM 0 H THR A 21 -2.745 -5.037 -2.173 1.00 0.00 H new ATOM 0 HA THR A 21 -3.418 -5.140 -5.045 1.00 0.00 H new ATOM 0 HB THR A 21 -4.158 -7.236 -2.994 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.798 -8.607 -4.330 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.051 -8.485 -4.950 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.870 -6.920 -4.736 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.636 -7.112 -6.003 1.00 0.00 H new ATOM 335 N ILE A 22 -5.761 -4.376 -4.470 1.00 0.00 N ATOM 336 CA ILE A 22 -7.016 -3.709 -4.164 1.00 0.00 C ATOM 337 C ILE A 22 -8.138 -4.729 -4.325 1.00 0.00 C ATOM 338 O ILE A 22 -8.472 -5.115 -5.444 1.00 0.00 O ATOM 339 CB ILE A 22 -7.173 -2.492 -5.085 1.00 0.00 C ATOM 340 CG1 ILE A 22 -8.608 -1.962 -5.116 1.00 0.00 C ATOM 341 CG2 ILE A 22 -6.736 -2.823 -6.509 1.00 0.00 C ATOM 342 CD1 ILE A 22 -8.991 -1.327 -3.787 1.00 0.00 C ATOM 0 H ILE A 22 -5.619 -4.544 -5.466 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.044 -3.335 -3.140 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.530 -1.715 -4.671 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.710 -1.228 -5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.295 -2.778 -5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.858 -1.943 -7.141 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.689 -3.126 -6.507 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.349 -3.636 -6.898 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.016 -0.960 -3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.913 -2.070 -2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.319 -0.496 -3.574 1.00 0.00 H new ATOM 354 N LEU A 23 -8.727 -5.174 -3.211 1.00 0.00 N ATOM 355 CA LEU A 23 -9.771 -6.186 -3.277 1.00 0.00 C ATOM 356 C LEU A 23 -11.085 -5.576 -3.773 1.00 0.00 C ATOM 357 O LEU A 23 -11.919 -6.288 -4.329 1.00 0.00 O ATOM 358 CB LEU A 23 -9.967 -6.854 -1.912 1.00 0.00 C ATOM 359 CG LEU A 23 -8.670 -7.383 -1.280 1.00 0.00 C ATOM 360 CD1 LEU A 23 -9.029 -8.386 -0.190 1.00 0.00 C ATOM 361 CD2 LEU A 23 -7.753 -8.099 -2.269 1.00 0.00 C ATOM 0 H LEU A 23 -8.500 -4.852 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.459 -6.950 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.424 -6.136 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.669 -7.681 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.137 -6.512 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.116 -8.769 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.637 -7.895 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.591 -9.212 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.858 -8.444 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.277 -8.953 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.469 -7.411 -3.065 1.00 0.00 H new ATOM 373 N GLY A 24 -11.273 -4.264 -3.584 1.00 0.00 N ATOM 374 CA GLY A 24 -12.429 -3.558 -4.127 1.00 0.00 C ATOM 375 C GLY A 24 -12.829 -2.362 -3.266 1.00 0.00 C ATOM 376 O GLY A 24 -12.095 -1.981 -2.357 1.00 0.00 O ATOM 0 H GLY A 24 -10.633 -3.671 -3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.203 -3.217 -5.137 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.271 -4.247 -4.203 1.00 0.00 H new ATOM 380 N VAL A 25 -13.992 -1.764 -3.543 1.00 0.00 N ATOM 381 CA VAL A 25 -14.476 -0.619 -2.775 1.00 0.00 C ATOM 382 C VAL A 25 -15.954 -0.756 -2.436 1.00 0.00 C ATOM 383 O VAL A 25 -16.667 -1.566 -3.028 1.00 0.00 O ATOM 384 CB VAL A 25 -14.236 0.699 -3.530 1.00 0.00 C ATOM 385 CG1 VAL A 25 -12.816 0.779 -4.088 1.00 0.00 C ATOM 386 CG2 VAL A 25 -15.237 0.888 -4.669 1.00 0.00 C ATOM 0 H VAL A 25 -14.615 -2.057 -4.296 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.909 -0.600 -1.844 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.375 1.499 -2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.685 1.724 -4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.099 0.717 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.649 -0.047 -4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.035 1.830 -5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.142 0.065 -5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.249 0.904 -4.265 1.00 0.00 H new ATOM 396 N SER A 26 -16.405 0.047 -1.474 1.00 0.00 N ATOM 397 CA SER A 26 -17.799 0.142 -1.077 1.00 0.00 C ATOM 398 C SER A 26 -18.060 1.546 -0.544 1.00 0.00 C ATOM 399 O SER A 26 -17.685 1.865 0.583 1.00 0.00 O ATOM 400 CB SER A 26 -18.105 -0.913 -0.013 1.00 0.00 C ATOM 401 OG SER A 26 -19.480 -0.871 0.323 1.00 0.00 O ATOM 0 H SER A 26 -15.792 0.662 -0.939 1.00 0.00 H new ATOM 0 HA SER A 26 -18.450 -0.042 -1.932 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.842 -1.904 -0.384 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.499 -0.734 0.875 1.00 0.00 H new ATOM 0 HG SER A 26 -19.671 -1.550 1.004 1.00 0.00 H new ATOM 407 N GLY A 27 -18.701 2.399 -1.351 1.00 0.00 N ATOM 408 CA GLY A 27 -18.949 3.779 -0.965 1.00 0.00 C ATOM 409 C GLY A 27 -17.636 4.555 -0.944 1.00 0.00 C ATOM 410 O GLY A 27 -17.127 4.934 -1.997 1.00 0.00 O ATOM 0 H GLY A 27 -19.055 2.151 -2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.644 4.242 -1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.417 3.812 0.019 1.00 0.00 H new ATOM 414 N GLN A 28 -17.091 4.793 0.255 1.00 0.00 N ATOM 415 CA GLN A 28 -15.792 5.434 0.405 1.00 0.00 C ATOM 416 C GLN A 28 -14.785 4.430 0.935 1.00 0.00 C ATOM 417 O GLN A 28 -13.584 4.681 0.883 1.00 0.00 O ATOM 418 CB GLN A 28 -15.843 6.595 1.397 1.00 0.00 C ATOM 419 CG GLN A 28 -16.809 7.702 0.999 1.00 0.00 C ATOM 420 CD GLN A 28 -16.639 8.131 -0.454 1.00 0.00 C ATOM 421 OE1 GLN A 28 -17.591 8.113 -1.229 1.00 0.00 O ATOM 422 NE2 GLN A 28 -15.422 8.515 -0.840 1.00 0.00 N ATOM 0 H GLN A 28 -17.539 4.547 1.138 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.505 5.809 -0.577 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.129 6.211 2.376 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.843 7.017 1.499 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -17.832 7.361 1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.657 8.564 1.649 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.652 8.518 -0.171 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.261 8.805 -1.804 1.00 0.00 H new ATOM 431 N GLN A 29 -15.259 3.294 1.449 1.00 0.00 N ATOM 432 CA GLN A 29 -14.365 2.273 1.942 1.00 0.00 C ATOM 433 C GLN A 29 -13.657 1.635 0.752 1.00 0.00 C ATOM 434 O GLN A 29 -14.208 1.540 -0.345 1.00 0.00 O ATOM 435 CB GLN A 29 -15.107 1.222 2.770 1.00 0.00 C ATOM 436 CG GLN A 29 -15.564 1.751 4.129 1.00 0.00 C ATOM 437 CD GLN A 29 -16.724 2.719 3.989 1.00 0.00 C ATOM 438 OE1 GLN A 29 -16.442 4.006 4.118 1.00 0.00 O flip ATOM 439 NE2 GLN A 29 -17.863 2.321 3.765 1.00 0.00 N flip ATOM 0 H GLN A 29 -16.251 3.069 1.530 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.632 2.729 2.607 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.975 0.873 2.211 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.457 0.360 2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.860 0.916 4.764 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.731 2.249 4.625 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -18.045 1.322 3.671 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.628 2.989 3.672 1.00 0.00 H new ATOM 448 N VAL A 30 -12.426 1.195 0.984 1.00 0.00 N ATOM 449 CA VAL A 30 -11.555 0.594 -0.001 1.00 0.00 C ATOM 450 C VAL A 30 -10.910 -0.605 0.676 1.00 0.00 C ATOM 451 O VAL A 30 -10.082 -0.438 1.571 1.00 0.00 O ATOM 452 CB VAL A 30 -10.508 1.625 -0.442 1.00 0.00 C ATOM 453 CG1 VAL A 30 -9.539 1.036 -1.460 1.00 0.00 C ATOM 454 CG2 VAL A 30 -11.174 2.843 -1.087 1.00 0.00 C ATOM 0 H VAL A 30 -11.995 1.253 1.907 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.092 0.275 -0.895 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.968 1.920 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.811 1.794 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.020 0.185 -1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.091 0.707 -2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.409 3.558 -1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.742 2.526 -1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.846 3.313 -0.369 1.00 0.00 H new ATOM 464 N ARG A 31 -11.294 -1.813 0.258 1.00 0.00 N ATOM 465 CA ARG A 31 -10.759 -3.035 0.837 1.00 0.00 C ATOM 466 C ARG A 31 -9.441 -3.352 0.146 1.00 0.00 C ATOM 467 O ARG A 31 -9.383 -3.392 -1.083 1.00 0.00 O ATOM 468 CB ARG A 31 -11.768 -4.167 0.656 1.00 0.00 C ATOM 469 CG ARG A 31 -11.407 -5.312 1.600 1.00 0.00 C ATOM 470 CD ARG A 31 -12.426 -6.442 1.463 1.00 0.00 C ATOM 471 NE ARG A 31 -12.461 -7.261 2.677 1.00 0.00 N ATOM 472 CZ ARG A 31 -12.174 -8.563 2.743 1.00 0.00 C ATOM 473 NH1 ARG A 31 -11.830 -9.256 1.660 1.00 0.00 N ATOM 474 NH2 ARG A 31 -12.230 -9.192 3.912 1.00 0.00 N ATOM 0 H ARG A 31 -11.977 -1.965 -0.484 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.580 -2.915 1.906 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.776 -3.810 0.866 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.762 -4.515 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.408 -5.682 1.371 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.386 -4.953 2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -13.415 -6.025 1.272 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.172 -7.065 0.606 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.727 -6.797 3.546 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.781 -8.793 0.753 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.615 -10.250 1.738 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.492 -8.680 4.755 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.011 -10.187 3.967 1.00 0.00 H new ATOM 488 N ILE A 32 -8.392 -3.573 0.934 1.00 0.00 N ATOM 489 CA ILE A 32 -7.039 -3.694 0.415 1.00 0.00 C ATOM 490 C ILE A 32 -6.379 -4.951 0.968 1.00 0.00 C ATOM 491 O ILE A 32 -6.754 -5.440 2.036 1.00 0.00 O ATOM 492 CB ILE A 32 -6.221 -2.448 0.796 1.00 0.00 C ATOM 493 CG1 ILE A 32 -7.089 -1.186 0.697 1.00 0.00 C ATOM 494 CG2 ILE A 32 -4.986 -2.338 -0.101 1.00 0.00 C ATOM 495 CD1 ILE A 32 -6.283 0.110 0.804 1.00 0.00 C ATOM 0 H ILE A 32 -8.459 -3.672 1.947 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.078 -3.771 -0.672 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.887 -2.545 1.829 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.625 -1.195 -0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.839 -1.206 1.487 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.413 -1.453 0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.366 -3.226 0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.299 -2.257 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.956 0.964 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.768 0.140 1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.551 0.151 -0.002 1.00 0.00 H new ATOM 507 N GLY A 33 -5.393 -5.466 0.235 1.00 0.00 N ATOM 508 CA GLY A 33 -4.615 -6.614 0.650 1.00 0.00 C ATOM 509 C GLY A 33 -3.135 -6.269 0.552 1.00 0.00 C ATOM 510 O GLY A 33 -2.735 -5.420 -0.242 1.00 0.00 O ATOM 0 H GLY A 33 -5.115 -5.089 -0.671 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.870 -6.892 1.672 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.844 -7.473 0.019 1.00 0.00 H new ATOM 514 N ILE A 34 -2.327 -6.936 1.373 1.00 0.00 N ATOM 515 CA ILE A 34 -0.902 -6.668 1.482 1.00 0.00 C ATOM 516 C ILE A 34 -0.182 -7.993 1.623 1.00 0.00 C ATOM 517 O ILE A 34 -0.699 -8.922 2.239 1.00 0.00 O ATOM 518 CB ILE A 34 -0.639 -5.783 2.709 1.00 0.00 C ATOM 519 CG1 ILE A 34 -1.456 -4.488 2.633 1.00 0.00 C ATOM 520 CG2 ILE A 34 0.858 -5.471 2.824 1.00 0.00 C ATOM 521 CD1 ILE A 34 -1.369 -3.707 3.940 1.00 0.00 C ATOM 0 H ILE A 34 -2.650 -7.685 1.986 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.541 -6.145 0.597 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.952 -6.327 3.600 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.090 -3.871 1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.498 -4.724 2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.033 -4.843 3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.417 -6.401 2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.190 -4.947 1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.958 -2.793 3.858 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.758 -4.317 4.755 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.329 -3.451 4.143 1.00 0.00 H new ATOM 533 N ASN A 35 1.020 -8.079 1.055 1.00 0.00 N ATOM 534 CA ASN A 35 1.769 -9.314 1.062 1.00 0.00 C ATOM 535 C ASN A 35 3.240 -9.014 1.311 1.00 0.00 C ATOM 536 O ASN A 35 3.937 -8.507 0.436 1.00 0.00 O ATOM 537 CB ASN A 35 1.532 -10.019 -0.276 1.00 0.00 C ATOM 538 CG ASN A 35 2.039 -11.452 -0.278 1.00 0.00 C ATOM 539 OD1 ASN A 35 3.031 -11.779 0.368 1.00 0.00 O ATOM 540 ND2 ASN A 35 1.355 -12.320 -1.017 1.00 0.00 N ATOM 0 H ASN A 35 1.488 -7.303 0.587 1.00 0.00 H new ATOM 0 HA ASN A 35 1.441 -9.976 1.863 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.466 -10.014 -0.501 1.00 0.00 H new ATOM 0 HB3 ASN A 35 2.028 -9.461 -1.070 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.649 -13.296 -1.061 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.536 -12.010 -1.540 1.00 0.00 H new ATOM 547 N ALA A 36 3.697 -9.334 2.522 1.00 0.00 N ATOM 548 CA ALA A 36 5.079 -9.153 2.928 1.00 0.00 C ATOM 549 C ALA A 36 5.462 -10.229 3.939 1.00 0.00 C ATOM 550 O ALA A 36 4.598 -10.778 4.621 1.00 0.00 O ATOM 551 CB ALA A 36 5.238 -7.779 3.580 1.00 0.00 C ATOM 0 H ALA A 36 3.106 -9.730 3.253 1.00 0.00 H new ATOM 0 HA ALA A 36 5.724 -9.227 2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.275 -7.639 3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.963 -7.003 2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.590 -7.714 4.454 1.00 0.00 H new ATOM 557 N PRO A 37 6.760 -10.533 4.037 1.00 0.00 N ATOM 558 CA PRO A 37 7.288 -11.484 4.993 1.00 0.00 C ATOM 559 C PRO A 37 7.071 -11.005 6.426 1.00 0.00 C ATOM 560 O PRO A 37 6.881 -9.815 6.671 1.00 0.00 O ATOM 561 CB PRO A 37 8.776 -11.596 4.669 1.00 0.00 C ATOM 562 CG PRO A 37 9.117 -10.315 3.912 1.00 0.00 C ATOM 563 CD PRO A 37 7.812 -9.969 3.211 1.00 0.00 C ATOM 0 HA PRO A 37 6.785 -12.448 4.922 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.371 -11.687 5.578 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.982 -12.478 4.063 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.435 -9.520 4.587 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.928 -10.471 3.200 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.695 -8.890 3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.786 -10.387 2.205 1.00 0.00 H new ATOM 571 N LYS A 38 7.099 -11.936 7.386 1.00 0.00 N ATOM 572 CA LYS A 38 6.993 -11.599 8.804 1.00 0.00 C ATOM 573 C LYS A 38 8.276 -10.938 9.300 1.00 0.00 C ATOM 574 O LYS A 38 8.379 -10.553 10.463 1.00 0.00 O ATOM 575 CB LYS A 38 6.663 -12.865 9.598 1.00 0.00 C ATOM 576 CG LYS A 38 5.277 -13.380 9.200 1.00 0.00 C ATOM 577 CD LYS A 38 4.175 -12.461 9.721 1.00 0.00 C ATOM 578 CE LYS A 38 3.847 -12.791 11.176 1.00 0.00 C ATOM 579 NZ LYS A 38 2.771 -11.923 11.685 1.00 0.00 N ATOM 0 H LYS A 38 7.195 -12.935 7.201 1.00 0.00 H new ATOM 0 HA LYS A 38 6.188 -10.878 8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.414 -13.631 9.407 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.689 -12.652 10.667 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.211 -13.452 8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.133 -14.385 9.595 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.492 -11.421 9.640 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.281 -12.570 9.107 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.545 -13.835 11.257 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.739 -12.669 11.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.567 -12.167 12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.071 -10.929 11.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.914 -12.059 11.111 1.00 0.00 H new ATOM 593 N ASP A 39 9.248 -10.817 8.397 1.00 0.00 N ATOM 594 CA ASP A 39 10.499 -10.113 8.620 1.00 0.00 C ATOM 595 C ASP A 39 10.273 -8.600 8.654 1.00 0.00 C ATOM 596 O ASP A 39 11.193 -7.845 8.961 1.00 0.00 O ATOM 597 CB ASP A 39 11.472 -10.459 7.495 1.00 0.00 C ATOM 598 CG ASP A 39 11.959 -11.902 7.613 1.00 0.00 C ATOM 599 OD1 ASP A 39 12.969 -12.114 8.318 1.00 0.00 O ATOM 600 OD2 ASP A 39 11.321 -12.784 6.999 1.00 0.00 O ATOM 0 H ASP A 39 9.179 -11.221 7.463 1.00 0.00 H new ATOM 0 HA ASP A 39 10.911 -10.420 9.581 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.984 -10.314 6.531 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.325 -9.781 7.526 1.00 0.00 H new ATOM 605 N VAL A 40 9.052 -8.157 8.339 1.00 0.00 N ATOM 606 CA VAL A 40 8.681 -6.749 8.343 1.00 0.00 C ATOM 607 C VAL A 40 7.291 -6.604 8.956 1.00 0.00 C ATOM 608 O VAL A 40 6.588 -7.597 9.154 1.00 0.00 O ATOM 609 CB VAL A 40 8.711 -6.171 6.920 1.00 0.00 C ATOM 610 CG1 VAL A 40 10.075 -6.389 6.262 1.00 0.00 C ATOM 611 CG2 VAL A 40 7.664 -6.833 6.031 1.00 0.00 C ATOM 0 H VAL A 40 8.288 -8.778 8.072 1.00 0.00 H new ATOM 0 HA VAL A 40 9.401 -6.188 8.939 1.00 0.00 H new ATOM 0 HB VAL A 40 8.504 -5.105 7.017 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.065 -5.969 5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.847 -5.896 6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.286 -7.457 6.207 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.711 -6.402 5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.859 -7.904 5.974 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.672 -6.667 6.451 1.00 0.00 H new ATOM 621 N ALA A 41 6.889 -5.369 9.259 1.00 0.00 N ATOM 622 CA ALA A 41 5.626 -5.123 9.927 1.00 0.00 C ATOM 623 C ALA A 41 4.645 -4.404 9.006 1.00 0.00 C ATOM 624 O ALA A 41 5.051 -3.756 8.044 1.00 0.00 O ATOM 625 CB ALA A 41 5.884 -4.304 11.191 1.00 0.00 C ATOM 0 H ALA A 41 7.426 -4.528 9.049 1.00 0.00 H new ATOM 0 HA ALA A 41 5.174 -6.077 10.197 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.939 -4.114 11.700 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.549 -4.858 11.854 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.348 -3.355 10.921 1.00 0.00 H new ATOM 631 N VAL A 42 3.353 -4.523 9.305 1.00 0.00 N ATOM 632 CA VAL A 42 2.299 -3.847 8.560 1.00 0.00 C ATOM 633 C VAL A 42 1.068 -3.682 9.449 1.00 0.00 C ATOM 634 O VAL A 42 0.564 -4.658 10.004 1.00 0.00 O ATOM 635 CB VAL A 42 1.973 -4.636 7.280 1.00 0.00 C ATOM 636 CG1 VAL A 42 2.028 -6.147 7.501 1.00 0.00 C ATOM 637 CG2 VAL A 42 0.593 -4.275 6.738 1.00 0.00 C ATOM 0 H VAL A 42 3.008 -5.095 10.076 1.00 0.00 H new ATOM 0 HA VAL A 42 2.635 -2.854 8.261 1.00 0.00 H new ATOM 0 HB VAL A 42 2.738 -4.357 6.556 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.791 -6.660 6.569 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.029 -6.431 7.827 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.304 -6.430 8.265 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.395 -4.851 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.164 -4.505 7.488 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.561 -3.211 6.505 1.00 0.00 H new ATOM 647 N HIS A 43 0.585 -2.445 9.580 1.00 0.00 N ATOM 648 CA HIS A 43 -0.594 -2.119 10.372 1.00 0.00 C ATOM 649 C HIS A 43 -1.204 -0.820 9.862 1.00 0.00 C ATOM 650 O HIS A 43 -0.608 -0.152 9.018 1.00 0.00 O ATOM 651 CB HIS A 43 -0.229 -1.926 11.850 1.00 0.00 C ATOM 652 CG HIS A 43 0.784 -2.904 12.382 1.00 0.00 C ATOM 653 ND1 HIS A 43 0.493 -4.072 13.085 1.00 0.00 N ATOM 654 CD2 HIS A 43 2.137 -2.778 12.249 1.00 0.00 C ATOM 655 CE1 HIS A 43 1.688 -4.623 13.362 1.00 0.00 C ATOM 656 NE2 HIS A 43 2.688 -3.868 12.876 1.00 0.00 N ATOM 0 H HIS A 43 1.010 -1.633 9.132 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.300 -2.944 10.279 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.156 -0.915 11.986 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.137 -2.004 12.447 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.428 -4.431 13.335 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.668 -1.980 11.750 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.826 -5.548 13.902 1.00 0.00 H new ATOM 664 N ARG A 44 -2.387 -0.449 10.363 1.00 0.00 N ATOM 665 CA ARG A 44 -2.987 0.823 10.003 1.00 0.00 C ATOM 666 C ARG A 44 -2.306 1.933 10.791 1.00 0.00 C ATOM 667 O ARG A 44 -1.580 1.667 11.748 1.00 0.00 O ATOM 668 CB ARG A 44 -4.493 0.763 10.248 1.00 0.00 C ATOM 669 CG ARG A 44 -4.799 0.636 11.741 1.00 0.00 C ATOM 670 CD ARG A 44 -6.261 0.256 11.959 1.00 0.00 C ATOM 671 NE ARG A 44 -6.504 -1.114 11.489 1.00 0.00 N ATOM 672 CZ ARG A 44 -7.104 -1.445 10.344 1.00 0.00 C ATOM 673 NH1 ARG A 44 -7.607 -0.517 9.533 1.00 0.00 N ATOM 674 NH2 ARG A 44 -7.199 -2.725 10.016 1.00 0.00 N ATOM 0 H ARG A 44 -2.937 -1.011 11.012 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.843 1.036 8.944 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.966 1.661 9.851 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.919 -0.085 9.712 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.151 -0.118 12.188 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.584 1.579 12.243 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.511 0.335 13.017 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.909 0.952 11.425 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.188 -1.876 12.088 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.538 0.470 9.782 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.062 -0.793 8.662 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.817 -3.440 10.635 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.655 -2.996 9.144 1.00 0.00 H new ATOM 688 N GLU A 45 -2.535 3.181 10.394 1.00 0.00 N ATOM 689 CA GLU A 45 -1.861 4.316 11.003 1.00 0.00 C ATOM 690 C GLU A 45 -2.179 4.434 12.502 1.00 0.00 C ATOM 691 O GLU A 45 -1.431 5.060 13.249 1.00 0.00 O ATOM 692 CB GLU A 45 -2.243 5.573 10.218 1.00 0.00 C ATOM 693 CG GLU A 45 -1.273 6.746 10.388 1.00 0.00 C ATOM 694 CD GLU A 45 -1.411 7.467 11.723 1.00 0.00 C ATOM 695 OE1 GLU A 45 -2.565 7.770 12.108 1.00 0.00 O ATOM 696 OE2 GLU A 45 -0.358 7.713 12.350 1.00 0.00 O ATOM 0 H GLU A 45 -3.186 3.430 9.649 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.781 4.178 10.952 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.306 5.320 9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.238 5.892 10.529 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.252 6.379 10.287 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.436 7.460 9.581 1.00 0.00 H new ATOM 703 N GLU A 46 -3.287 3.836 12.953 1.00 0.00 N ATOM 704 CA GLU A 46 -3.689 3.874 14.348 1.00 0.00 C ATOM 705 C GLU A 46 -2.794 2.965 15.188 1.00 0.00 C ATOM 706 O GLU A 46 -2.302 3.366 16.243 1.00 0.00 O ATOM 707 CB GLU A 46 -5.139 3.392 14.432 1.00 0.00 C ATOM 708 CG GLU A 46 -5.693 3.481 15.857 1.00 0.00 C ATOM 709 CD GLU A 46 -5.733 4.921 16.363 1.00 0.00 C ATOM 710 OE1 GLU A 46 -6.206 5.791 15.599 1.00 0.00 O ATOM 711 OE2 GLU A 46 -5.296 5.143 17.513 1.00 0.00 O ATOM 0 H GLU A 46 -3.926 3.313 12.354 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.597 4.889 14.734 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.759 3.990 13.764 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.199 2.361 14.084 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.698 3.059 15.883 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.077 2.879 16.524 1.00 0.00 H new ATOM 718 N ILE A 47 -2.578 1.733 14.718 1.00 0.00 N ATOM 719 CA ILE A 47 -1.802 0.741 15.449 1.00 0.00 C ATOM 720 C ILE A 47 -0.313 1.056 15.334 1.00 0.00 C ATOM 721 O ILE A 47 0.466 0.701 16.215 1.00 0.00 O ATOM 722 CB ILE A 47 -2.119 -0.655 14.889 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.417 -1.223 15.477 1.00 0.00 C ATOM 724 CG2 ILE A 47 -1.012 -1.658 15.227 1.00 0.00 C ATOM 725 CD1 ILE A 47 -4.636 -0.317 15.326 1.00 0.00 C ATOM 0 H ILE A 47 -2.937 1.401 13.823 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.067 0.764 16.506 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.211 -0.525 13.811 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.630 -2.178 14.997 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.261 -1.426 16.537 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.268 -2.635 14.816 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.070 -1.319 14.796 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.909 -1.735 16.309 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.506 -0.801 15.770 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.450 0.631 15.831 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.824 -0.133 14.268 1.00 0.00 H new ATOM 737 N TYR A 48 0.092 1.729 14.251 1.00 0.00 N ATOM 738 CA TYR A 48 1.491 2.052 14.034 1.00 0.00 C ATOM 739 C TYR A 48 2.055 2.901 15.171 1.00 0.00 C ATOM 740 O TYR A 48 3.234 2.787 15.499 1.00 0.00 O ATOM 741 CB TYR A 48 1.626 2.787 12.699 1.00 0.00 C ATOM 742 CG TYR A 48 3.062 3.077 12.329 1.00 0.00 C ATOM 743 CD1 TYR A 48 3.849 2.068 11.751 1.00 0.00 C ATOM 744 CD2 TYR A 48 3.605 4.345 12.568 1.00 0.00 C ATOM 745 CE1 TYR A 48 5.182 2.329 11.406 1.00 0.00 C ATOM 746 CE2 TYR A 48 4.933 4.619 12.220 1.00 0.00 C ATOM 747 CZ TYR A 48 5.730 3.607 11.639 1.00 0.00 C ATOM 748 OH TYR A 48 7.024 3.868 11.301 1.00 0.00 O ATOM 0 H TYR A 48 -0.535 2.057 13.516 1.00 0.00 H new ATOM 0 HA TYR A 48 2.066 1.126 14.010 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.168 2.188 11.912 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.073 3.725 12.749 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.427 1.090 11.572 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.998 5.114 13.022 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.788 1.553 10.963 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.347 5.601 12.395 1.00 0.00 H new ATOM 0 HH TYR A 48 7.241 4.796 11.528 1.00 0.00 H new ATOM 1211 N MET C 1 0.531 -12.371 4.542 1.00 0.00 N ATOM 1212 CA MET C 1 -0.618 -11.761 3.846 1.00 0.00 C ATOM 1213 C MET C 1 -1.516 -11.046 4.846 1.00 0.00 C ATOM 1214 O MET C 1 -1.722 -11.555 5.942 1.00 0.00 O ATOM 1215 CB MET C 1 -1.419 -12.840 3.111 1.00 0.00 C ATOM 1216 CG MET C 1 -2.544 -12.241 2.267 1.00 0.00 C ATOM 1217 SD MET C 1 -1.960 -11.273 0.857 1.00 0.00 S ATOM 1218 CE MET C 1 -3.527 -10.493 0.414 1.00 0.00 C ATOM 0 H1 MET C 1 0.749 -13.292 4.110 1.00 0.00 H new ATOM 0 H2 MET C 1 1.358 -11.746 4.461 1.00 0.00 H new ATOM 0 H3 MET C 1 0.297 -12.506 5.546 1.00 0.00 H new ATOM 0 HA MET C 1 -0.245 -11.037 3.122 1.00 0.00 H new ATOM 0 HB2 MET C 1 -0.751 -13.414 2.469 1.00 0.00 H new ATOM 0 HB3 MET C 1 -1.841 -13.536 3.836 1.00 0.00 H new ATOM 0 HG2 MET C 1 -3.182 -13.047 1.904 1.00 0.00 H new ATOM 0 HG3 MET C 1 -3.163 -11.606 2.901 1.00 0.00 H new ATOM 0 HE1 MET C 1 -3.379 -9.844 -0.449 1.00 0.00 H new ATOM 0 HE2 MET C 1 -4.259 -11.262 0.168 1.00 0.00 H new ATOM 0 HE3 MET C 1 -3.890 -9.902 1.255 1.00 0.00 H new ATOM 1230 N LEU C 2 -2.051 -9.875 4.492 1.00 0.00 N ATOM 1231 CA LEU C 2 -3.005 -9.168 5.333 1.00 0.00 C ATOM 1232 C LEU C 2 -4.097 -8.560 4.466 1.00 0.00 C ATOM 1233 O LEU C 2 -3.855 -8.221 3.311 1.00 0.00 O ATOM 1234 CB LEU C 2 -2.294 -8.055 6.109 1.00 0.00 C ATOM 1235 CG LEU C 2 -2.206 -8.339 7.607 1.00 0.00 C ATOM 1236 CD1 LEU C 2 -1.525 -7.162 8.290 1.00 0.00 C ATOM 1237 CD2 LEU C 2 -3.576 -8.532 8.255 1.00 0.00 C ATOM 0 H LEU C 2 -1.833 -9.397 3.618 1.00 0.00 H new ATOM 0 HA LEU C 2 -3.447 -9.872 6.038 1.00 0.00 H new ATOM 0 HB2 LEU C 2 -1.288 -7.925 5.709 1.00 0.00 H new ATOM 0 HB3 LEU C 2 -2.823 -7.115 5.953 1.00 0.00 H new ATOM 0 HG LEU C 2 -1.643 -9.265 7.727 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -1.456 -7.353 9.361 1.00 0.00 H new ATOM 0 HD12 LEU C 2 -0.524 -7.033 7.879 1.00 0.00 H new ATOM 0 HD13 LEU C 2 -2.107 -6.256 8.120 1.00 0.00 H new ATOM 0 HD21 LEU C 2 -3.450 -8.731 9.319 1.00 0.00 H new ATOM 0 HD22 LEU C 2 -4.172 -7.629 8.122 1.00 0.00 H new ATOM 0 HD23 LEU C 2 -4.085 -9.374 7.786 1.00 0.00 H new ATOM 1249 N ILE C 3 -5.296 -8.426 5.034 1.00 0.00 N ATOM 1250 CA ILE C 3 -6.423 -7.792 4.375 1.00 0.00 C ATOM 1251 C ILE C 3 -7.130 -6.922 5.402 1.00 0.00 C ATOM 1252 O ILE C 3 -7.381 -7.358 6.524 1.00 0.00 O ATOM 1253 CB ILE C 3 -7.385 -8.841 3.792 1.00 0.00 C ATOM 1254 CG1 ILE C 3 -6.751 -9.637 2.648 1.00 0.00 C ATOM 1255 CG2 ILE C 3 -8.612 -8.134 3.205 1.00 0.00 C ATOM 1256 CD1 ILE C 3 -5.970 -10.857 3.131 1.00 0.00 C ATOM 0 H ILE C 3 -5.507 -8.760 5.974 1.00 0.00 H new ATOM 0 HA ILE C 3 -6.074 -7.184 3.540 1.00 0.00 H new ATOM 0 HB ILE C 3 -7.644 -9.517 4.607 1.00 0.00 H new ATOM 0 HG12 ILE C 3 -7.533 -9.962 1.962 1.00 0.00 H new ATOM 0 HG13 ILE C 3 -6.083 -8.985 2.085 1.00 0.00 H new ATOM 0 HG21 ILE C 3 -9.296 -8.875 2.791 1.00 0.00 H new ATOM 0 HG22 ILE C 3 -9.118 -7.572 3.990 1.00 0.00 H new ATOM 0 HG23 ILE C 3 -8.296 -7.451 2.416 1.00 0.00 H new ATOM 0 HD11 ILE C 3 -5.545 -11.379 2.274 1.00 0.00 H new ATOM 0 HD12 ILE C 3 -5.167 -10.536 3.795 1.00 0.00 H new ATOM 0 HD13 ILE C 3 -6.640 -11.528 3.669 1.00 0.00 H new ATOM 1268 N LEU C 4 -7.450 -5.687 5.018 1.00 0.00 N ATOM 1269 CA LEU C 4 -8.133 -4.748 5.892 1.00 0.00 C ATOM 1270 C LEU C 4 -8.721 -3.610 5.063 1.00 0.00 C ATOM 1271 O LEU C 4 -8.369 -3.447 3.895 1.00 0.00 O ATOM 1272 CB LEU C 4 -7.186 -4.272 7.007 1.00 0.00 C ATOM 1273 CG LEU C 4 -5.727 -4.011 6.598 1.00 0.00 C ATOM 1274 CD1 LEU C 4 -5.557 -2.658 5.915 1.00 0.00 C ATOM 1275 CD2 LEU C 4 -4.854 -4.013 7.853 1.00 0.00 C ATOM 0 H LEU C 4 -7.241 -5.314 4.092 1.00 0.00 H new ATOM 0 HA LEU C 4 -8.969 -5.236 6.393 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -7.592 -3.354 7.431 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -7.190 -5.019 7.801 1.00 0.00 H new ATOM 0 HG LEU C 4 -5.435 -4.795 5.899 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -4.511 -2.516 5.644 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -6.173 -2.624 5.016 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -5.866 -1.865 6.596 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -3.816 -3.829 7.575 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -5.192 -3.231 8.533 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -4.930 -4.981 8.348 1.00 0.00 H new ATOM 1287 N THR C 5 -9.623 -2.828 5.662 1.00 0.00 N ATOM 1288 CA THR C 5 -10.350 -1.805 4.924 1.00 0.00 C ATOM 1289 C THR C 5 -9.996 -0.414 5.445 1.00 0.00 C ATOM 1290 O THR C 5 -9.648 -0.238 6.613 1.00 0.00 O ATOM 1291 CB THR C 5 -11.859 -2.069 5.008 1.00 0.00 C ATOM 1292 OG1 THR C 5 -12.115 -3.443 4.830 1.00 0.00 O ATOM 1293 CG2 THR C 5 -12.617 -1.318 3.918 1.00 0.00 C ATOM 0 H THR C 5 -9.863 -2.887 6.652 1.00 0.00 H new ATOM 0 HA THR C 5 -10.057 -1.847 3.875 1.00 0.00 H new ATOM 0 HB THR C 5 -12.193 -1.729 5.988 1.00 0.00 H new ATOM 0 HG1 THR C 5 -13.080 -3.606 4.886 1.00 0.00 H new ATOM 0 HG21 THR C 5 -13.683 -1.527 4.006 1.00 0.00 H new ATOM 0 HG22 THR C 5 -12.447 -0.247 4.028 1.00 0.00 H new ATOM 0 HG23 THR C 5 -12.263 -1.643 2.939 1.00 0.00 H new ATOM 1301 N ARG C 6 -10.091 0.570 4.549 1.00 0.00 N ATOM 1302 CA ARG C 6 -9.733 1.962 4.791 1.00 0.00 C ATOM 1303 C ARG C 6 -10.712 2.829 4.005 1.00 0.00 C ATOM 1304 O ARG C 6 -11.357 2.311 3.102 1.00 0.00 O ATOM 1305 CB ARG C 6 -8.307 2.135 4.247 1.00 0.00 C ATOM 1306 CG ARG C 6 -7.605 3.444 4.602 1.00 0.00 C ATOM 1307 CD ARG C 6 -7.001 3.411 6.006 1.00 0.00 C ATOM 1308 NE ARG C 6 -8.018 3.535 7.054 1.00 0.00 N ATOM 1309 CZ ARG C 6 -7.754 3.638 8.355 1.00 0.00 C ATOM 1310 NH1 ARG C 6 -6.502 3.645 8.805 1.00 0.00 N ATOM 1311 NH2 ARG C 6 -8.752 3.732 9.226 1.00 0.00 N ATOM 0 H ARG C 6 -10.432 0.410 3.601 1.00 0.00 H new ATOM 0 HA ARG C 6 -9.775 2.241 5.844 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -7.698 1.309 4.614 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -8.342 2.048 3.161 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -6.818 3.642 3.874 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -8.317 4.267 4.533 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -6.455 2.478 6.142 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -6.278 4.221 6.107 1.00 0.00 H new ATOM 0 HE ARG C 6 -8.997 3.543 6.767 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -5.724 3.571 8.150 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -6.320 3.725 9.805 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -9.718 3.725 8.898 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -8.553 3.811 10.223 1.00 0.00 H new ATOM 1325 N LYS C 7 -10.846 4.123 4.312 1.00 0.00 N ATOM 1326 CA LYS C 7 -11.606 5.020 3.445 1.00 0.00 C ATOM 1327 C LYS C 7 -10.786 6.254 3.114 1.00 0.00 C ATOM 1328 O LYS C 7 -9.745 6.505 3.722 1.00 0.00 O ATOM 1329 CB LYS C 7 -12.973 5.405 4.016 1.00 0.00 C ATOM 1330 CG LYS C 7 -12.887 6.123 5.361 1.00 0.00 C ATOM 1331 CD LYS C 7 -14.274 6.676 5.704 1.00 0.00 C ATOM 1332 CE LYS C 7 -14.223 7.603 6.918 1.00 0.00 C ATOM 1333 NZ LYS C 7 -13.725 6.910 8.122 1.00 0.00 N ATOM 0 H LYS C 7 -10.445 4.564 5.140 1.00 0.00 H new ATOM 0 HA LYS C 7 -11.811 4.468 2.528 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -13.489 6.047 3.302 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -13.577 4.505 4.131 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -12.550 5.435 6.137 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -12.158 6.932 5.313 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -14.673 7.219 4.847 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -14.957 5.850 5.904 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -13.579 8.454 6.697 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -15.219 7.999 7.114 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -13.970 7.464 8.968 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -14.162 5.968 8.186 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -12.692 6.809 8.062 1.00 0.00 H new ATOM 1347 N VAL C 8 -11.269 7.022 2.140 1.00 0.00 N ATOM 1348 CA VAL C 8 -10.492 8.127 1.598 1.00 0.00 C ATOM 1349 C VAL C 8 -10.081 9.120 2.679 1.00 0.00 C ATOM 1350 O VAL C 8 -10.891 9.508 3.518 1.00 0.00 O ATOM 1351 CB VAL C 8 -11.217 8.801 0.428 1.00 0.00 C ATOM 1352 CG1 VAL C 8 -11.650 7.739 -0.585 1.00 0.00 C ATOM 1353 CG2 VAL C 8 -12.456 9.591 0.828 1.00 0.00 C ATOM 0 H VAL C 8 -12.188 6.899 1.715 1.00 0.00 H new ATOM 0 HA VAL C 8 -9.567 7.710 1.199 1.00 0.00 H new ATOM 0 HB VAL C 8 -10.500 9.508 0.010 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -12.166 8.219 -1.417 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -10.772 7.212 -0.958 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -12.322 7.029 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -12.907 10.034 -0.060 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -13.174 8.924 1.305 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -12.175 10.380 1.525 1.00 0.00 H new ATOM 1363 N GLY C 9 -8.809 9.524 2.646 1.00 0.00 N ATOM 1364 CA GLY C 9 -8.261 10.490 3.588 1.00 0.00 C ATOM 1365 C GLY C 9 -7.565 9.829 4.778 1.00 0.00 C ATOM 1366 O GLY C 9 -7.047 10.534 5.642 1.00 0.00 O ATOM 0 H GLY C 9 -8.132 9.187 1.962 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -7.551 11.134 3.069 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -9.064 11.131 3.953 1.00 0.00 H new ATOM 1370 N GLU C 10 -7.543 8.492 4.837 1.00 0.00 N ATOM 1371 CA GLU C 10 -6.904 7.757 5.926 1.00 0.00 C ATOM 1372 C GLU C 10 -5.590 7.126 5.446 1.00 0.00 C ATOM 1373 O GLU C 10 -5.212 7.308 4.287 1.00 0.00 O ATOM 1374 CB GLU C 10 -7.873 6.703 6.465 1.00 0.00 C ATOM 1375 CG GLU C 10 -9.180 7.338 6.949 1.00 0.00 C ATOM 1376 CD GLU C 10 -10.185 6.292 7.434 1.00 0.00 C ATOM 1377 OE1 GLU C 10 -10.182 5.167 6.887 1.00 0.00 O ATOM 1378 OE2 GLU C 10 -10.963 6.628 8.356 1.00 0.00 O ATOM 0 H GLU C 10 -7.969 7.893 4.130 1.00 0.00 H new ATOM 0 HA GLU C 10 -6.658 8.443 6.737 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -8.089 5.973 5.685 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -7.404 6.162 7.287 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -8.965 8.036 7.758 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -9.623 7.917 6.138 1.00 0.00 H new ATOM 1385 N SER C 11 -4.888 6.395 6.322 1.00 0.00 N ATOM 1386 CA SER C 11 -3.559 5.874 6.006 1.00 0.00 C ATOM 1387 C SER C 11 -3.299 4.482 6.584 1.00 0.00 C ATOM 1388 O SER C 11 -4.055 3.989 7.423 1.00 0.00 O ATOM 1389 CB SER C 11 -2.508 6.845 6.549 1.00 0.00 C ATOM 1390 OG SER C 11 -2.704 8.139 6.016 1.00 0.00 O ATOM 0 H SER C 11 -5.222 6.153 7.255 1.00 0.00 H new ATOM 0 HA SER C 11 -3.499 5.782 4.922 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.566 6.881 7.637 1.00 0.00 H new ATOM 0 HB3 SER C 11 -1.510 6.488 6.295 1.00 0.00 H new ATOM 0 HG SER C 11 -2.024 8.747 6.375 1.00 0.00 H new ATOM 1396 N ILE C 12 -2.208 3.859 6.115 1.00 0.00 N ATOM 1397 CA ILE C 12 -1.713 2.544 6.519 1.00 0.00 C ATOM 1398 C ILE C 12 -0.179 2.637 6.565 1.00 0.00 C ATOM 1399 O ILE C 12 0.390 3.593 6.039 1.00 0.00 O ATOM 1400 CB ILE C 12 -2.191 1.476 5.510 1.00 0.00 C ATOM 1401 CG1 ILE C 12 -3.722 1.386 5.415 1.00 0.00 C ATOM 1402 CG2 ILE C 12 -1.643 0.074 5.829 1.00 0.00 C ATOM 1403 CD1 ILE C 12 -4.383 0.848 6.689 1.00 0.00 C ATOM 0 H ILE C 12 -1.617 4.288 5.403 1.00 0.00 H new ATOM 0 HA ILE C 12 -2.094 2.252 7.498 1.00 0.00 H new ATOM 0 HB ILE C 12 -1.794 1.810 4.552 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -4.123 2.376 5.197 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -3.989 0.742 4.577 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.010 -0.637 5.089 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -0.554 0.095 5.803 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -1.977 -0.230 6.821 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -5.464 0.812 6.551 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -4.010 -0.155 6.897 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -4.146 1.504 7.527 1.00 0.00 H new ATOM 1415 N ASN C 13 0.502 1.665 7.181 1.00 0.00 N ATOM 1416 CA ASN C 13 1.952 1.698 7.336 1.00 0.00 C ATOM 1417 C ASN C 13 2.587 0.326 7.113 1.00 0.00 C ATOM 1418 O ASN C 13 1.943 -0.705 7.304 1.00 0.00 O ATOM 1419 CB ASN C 13 2.301 2.194 8.742 1.00 0.00 C ATOM 1420 CG ASN C 13 2.041 3.685 8.885 1.00 0.00 C ATOM 1421 OD1 ASN C 13 0.957 4.096 9.287 1.00 0.00 O ATOM 1422 ND2 ASN C 13 3.033 4.505 8.558 1.00 0.00 N ATOM 0 H ASN C 13 0.061 0.838 7.583 1.00 0.00 H new ATOM 0 HA ASN C 13 2.350 2.375 6.580 1.00 0.00 H new ATOM 0 HB2 ASN C 13 1.712 1.648 9.479 1.00 0.00 H new ATOM 0 HB3 ASN C 13 3.349 1.984 8.954 1.00 0.00 H new ATOM 0 HD21 ASN C 13 2.908 5.514 8.637 1.00 0.00 H new ATOM 0 HD22 ASN C 13 3.920 4.126 8.228 1.00 0.00 H new ATOM 1429 N ILE C 14 3.861 0.332 6.701 1.00 0.00 N ATOM 1430 CA ILE C 14 4.649 -0.872 6.476 1.00 0.00 C ATOM 1431 C ILE C 14 6.078 -0.625 6.963 1.00 0.00 C ATOM 1432 O ILE C 14 6.580 0.499 6.890 1.00 0.00 O ATOM 1433 CB ILE C 14 4.641 -1.248 4.984 1.00 0.00 C ATOM 1434 CG1 ILE C 14 3.200 -1.397 4.477 1.00 0.00 C ATOM 1435 CG2 ILE C 14 5.413 -2.556 4.770 1.00 0.00 C ATOM 1436 CD1 ILE C 14 3.130 -1.756 2.993 1.00 0.00 C ATOM 0 H ILE C 14 4.376 1.192 6.513 1.00 0.00 H new ATOM 0 HA ILE C 14 4.215 -1.704 7.031 1.00 0.00 H new ATOM 0 HB ILE C 14 5.127 -0.452 4.420 1.00 0.00 H new ATOM 0 HG12 ILE C 14 2.693 -2.168 5.057 1.00 0.00 H new ATOM 0 HG13 ILE C 14 2.661 -0.465 4.647 1.00 0.00 H new ATOM 0 HG21 ILE C 14 5.403 -2.815 3.711 1.00 0.00 H new ATOM 0 HG22 ILE C 14 6.443 -2.429 5.103 1.00 0.00 H new ATOM 0 HG23 ILE C 14 4.942 -3.354 5.344 1.00 0.00 H new ATOM 0 HD11 ILE C 14 2.087 -1.848 2.690 1.00 0.00 H new ATOM 0 HD12 ILE C 14 3.610 -0.973 2.406 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.643 -2.703 2.823 1.00 0.00 H new ATOM 1448 N GLY C 15 6.730 -1.676 7.465 1.00 0.00 N ATOM 1449 CA GLY C 15 8.081 -1.574 7.989 1.00 0.00 C ATOM 1450 C GLY C 15 8.151 -0.494 9.067 1.00 0.00 C ATOM 1451 O GLY C 15 7.231 -0.346 9.873 1.00 0.00 O ATOM 0 H GLY C 15 6.333 -2.614 7.517 1.00 0.00 H new ATOM 0 HA2 GLY C 15 8.391 -2.533 8.405 1.00 0.00 H new ATOM 0 HA3 GLY C 15 8.775 -1.338 7.182 1.00 0.00 H new ATOM 1455 N ASP C 16 9.255 0.256 9.067 1.00 0.00 N ATOM 1456 CA ASP C 16 9.459 1.371 9.978 1.00 0.00 C ATOM 1457 C ASP C 16 9.878 2.611 9.186 1.00 0.00 C ATOM 1458 O ASP C 16 10.291 3.618 9.763 1.00 0.00 O ATOM 1459 CB ASP C 16 10.507 0.993 11.024 1.00 0.00 C ATOM 1460 CG ASP C 16 10.039 -0.179 11.879 1.00 0.00 C ATOM 1461 OD1 ASP C 16 9.233 0.070 12.803 1.00 0.00 O ATOM 1462 OD2 ASP C 16 10.492 -1.312 11.606 1.00 0.00 O ATOM 0 H ASP C 16 10.035 0.101 8.428 1.00 0.00 H new ATOM 0 HA ASP C 16 8.530 1.602 10.499 1.00 0.00 H new ATOM 0 HB2 ASP C 16 11.442 0.733 10.528 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.713 1.852 11.662 1.00 0.00 H new ATOM 1467 N ASP C 17 9.772 2.532 7.856 1.00 0.00 N ATOM 1468 CA ASP C 17 10.188 3.597 6.954 1.00 0.00 C ATOM 1469 C ASP C 17 9.231 3.743 5.771 1.00 0.00 C ATOM 1470 O ASP C 17 9.563 4.446 4.819 1.00 0.00 O ATOM 1471 CB ASP C 17 11.606 3.319 6.448 1.00 0.00 C ATOM 1472 CG ASP C 17 12.615 3.228 7.590 1.00 0.00 C ATOM 1473 OD1 ASP C 17 13.084 4.301 8.031 1.00 0.00 O ATOM 1474 OD2 ASP C 17 12.907 2.087 8.011 1.00 0.00 O ATOM 0 H ASP C 17 9.391 1.717 7.376 1.00 0.00 H new ATOM 0 HA ASP C 17 10.171 4.534 7.510 1.00 0.00 H new ATOM 0 HB2 ASP C 17 11.613 2.387 5.883 1.00 0.00 H new ATOM 0 HB3 ASP C 17 11.907 4.110 5.761 1.00 0.00 H new ATOM 1479 N ILE C 18 8.059 3.091 5.807 1.00 0.00 N ATOM 1480 CA ILE C 18 7.112 3.187 4.705 1.00 0.00 C ATOM 1481 C ILE C 18 5.718 3.545 5.222 1.00 0.00 C ATOM 1482 O ILE C 18 5.320 3.133 6.312 1.00 0.00 O ATOM 1483 CB ILE C 18 7.076 1.888 3.885 1.00 0.00 C ATOM 1484 CG1 ILE C 18 8.464 1.462 3.388 1.00 0.00 C ATOM 1485 CG2 ILE C 18 6.163 2.080 2.670 1.00 0.00 C ATOM 1486 CD1 ILE C 18 9.139 0.507 4.379 1.00 0.00 C ATOM 0 H ILE C 18 7.754 2.500 6.581 1.00 0.00 H new ATOM 0 HA ILE C 18 7.448 3.986 4.043 1.00 0.00 H new ATOM 0 HB ILE C 18 6.701 1.105 4.544 1.00 0.00 H new ATOM 0 HG12 ILE C 18 8.372 0.977 2.416 1.00 0.00 H new ATOM 0 HG13 ILE C 18 9.089 2.344 3.246 1.00 0.00 H new ATOM 0 HG21 ILE C 18 6.136 1.160 2.086 1.00 0.00 H new ATOM 0 HG22 ILE C 18 5.156 2.326 3.007 1.00 0.00 H new ATOM 0 HG23 ILE C 18 6.547 2.891 2.051 1.00 0.00 H new ATOM 0 HD11 ILE C 18 10.120 0.223 3.999 1.00 0.00 H new ATOM 0 HD12 ILE C 18 9.252 1.003 5.343 1.00 0.00 H new ATOM 0 HD13 ILE C 18 8.525 -0.385 4.500 1.00 0.00 H new ATOM 1498 N THR C 19 4.983 4.318 4.419 1.00 0.00 N ATOM 1499 CA THR C 19 3.628 4.749 4.734 1.00 0.00 C ATOM 1500 C THR C 19 2.787 4.722 3.462 1.00 0.00 C ATOM 1501 O THR C 19 3.327 4.821 2.359 1.00 0.00 O ATOM 1502 CB THR C 19 3.663 6.161 5.328 1.00 0.00 C ATOM 1503 OG1 THR C 19 4.517 6.197 6.451 1.00 0.00 O ATOM 1504 CG2 THR C 19 2.278 6.630 5.773 1.00 0.00 C ATOM 0 H THR C 19 5.321 4.664 3.521 1.00 0.00 H new ATOM 0 HA THR C 19 3.183 4.076 5.467 1.00 0.00 H new ATOM 0 HB THR C 19 4.027 6.823 4.542 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.532 7.104 6.821 1.00 0.00 H new ATOM 0 HG21 THR C 19 2.350 7.635 6.188 1.00 0.00 H new ATOM 0 HG22 THR C 19 1.604 6.638 4.916 1.00 0.00 H new ATOM 0 HG23 THR C 19 1.891 5.951 6.533 1.00 0.00 H new ATOM 1512 N ILE C 20 1.469 4.593 3.617 1.00 0.00 N ATOM 1513 CA ILE C 20 0.519 4.547 2.515 1.00 0.00 C ATOM 1514 C ILE C 20 -0.659 5.454 2.863 1.00 0.00 C ATOM 1515 O ILE C 20 -1.058 5.520 4.026 1.00 0.00 O ATOM 1516 CB ILE C 20 0.033 3.103 2.311 1.00 0.00 C ATOM 1517 CG1 ILE C 20 1.180 2.131 2.011 1.00 0.00 C ATOM 1518 CG2 ILE C 20 -1.012 3.040 1.191 1.00 0.00 C ATOM 1519 CD1 ILE C 20 1.840 2.383 0.657 1.00 0.00 C ATOM 0 H ILE C 20 1.027 4.516 4.533 1.00 0.00 H new ATOM 0 HA ILE C 20 0.990 4.887 1.593 1.00 0.00 H new ATOM 0 HB ILE C 20 -0.421 2.790 3.251 1.00 0.00 H new ATOM 0 HG12 ILE C 20 1.932 2.212 2.796 1.00 0.00 H new ATOM 0 HG13 ILE C 20 0.800 1.110 2.039 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -1.344 2.010 1.061 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.865 3.666 1.453 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.571 3.399 0.261 1.00 0.00 H new ATOM 0 HD11 ILE C 20 2.644 1.663 0.504 1.00 0.00 H new ATOM 0 HD12 ILE C 20 1.099 2.273 -0.135 1.00 0.00 H new ATOM 0 HD13 ILE C 20 2.249 3.393 0.634 1.00 0.00 H new ATOM 1531 N THR C 21 -1.215 6.147 1.868 1.00 0.00 N ATOM 1532 CA THR C 21 -2.321 7.071 2.095 1.00 0.00 C ATOM 1533 C THR C 21 -3.306 7.016 0.936 1.00 0.00 C ATOM 1534 O THR C 21 -2.935 7.260 -0.208 1.00 0.00 O ATOM 1535 CB THR C 21 -1.778 8.498 2.241 1.00 0.00 C ATOM 1536 OG1 THR C 21 -0.773 8.544 3.232 1.00 0.00 O ATOM 1537 CG2 THR C 21 -2.900 9.454 2.640 1.00 0.00 C ATOM 0 H THR C 21 -0.915 6.084 0.895 1.00 0.00 H new ATOM 0 HA THR C 21 -2.838 6.781 3.009 1.00 0.00 H new ATOM 0 HB THR C 21 -1.361 8.799 1.280 1.00 0.00 H new ATOM 0 HG1 THR C 21 -0.435 9.460 3.313 1.00 0.00 H new ATOM 0 HG21 THR C 21 -2.500 10.463 2.740 1.00 0.00 H new ATOM 0 HG22 THR C 21 -3.675 9.445 1.874 1.00 0.00 H new ATOM 0 HG23 THR C 21 -3.327 9.137 3.592 1.00 0.00 H new ATOM 1545 N ILE C 22 -4.567 6.695 1.223 1.00 0.00 N ATOM 1546 CA ILE C 22 -5.626 6.654 0.222 1.00 0.00 C ATOM 1547 C ILE C 22 -6.108 8.081 -0.041 1.00 0.00 C ATOM 1548 O ILE C 22 -6.885 8.632 0.737 1.00 0.00 O ATOM 1549 CB ILE C 22 -6.735 5.701 0.702 1.00 0.00 C ATOM 1550 CG1 ILE C 22 -8.018 5.814 -0.121 1.00 0.00 C ATOM 1551 CG2 ILE C 22 -7.108 5.913 2.168 1.00 0.00 C ATOM 1552 CD1 ILE C 22 -7.766 5.549 -1.592 1.00 0.00 C ATOM 0 H ILE C 22 -4.882 6.455 2.163 1.00 0.00 H new ATOM 0 HA ILE C 22 -5.270 6.260 -0.730 1.00 0.00 H new ATOM 0 HB ILE C 22 -6.302 4.709 0.572 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -8.755 5.105 0.255 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -8.442 6.810 0.002 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -7.895 5.212 2.448 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -6.232 5.745 2.794 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -7.464 6.934 2.309 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -8.702 5.639 -2.143 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -7.048 6.275 -1.975 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -7.366 4.543 -1.717 1.00 0.00 H new ATOM 1564 N LEU C 23 -5.647 8.691 -1.140 1.00 0.00 N ATOM 1565 CA LEU C 23 -5.978 10.082 -1.425 1.00 0.00 C ATOM 1566 C LEU C 23 -7.455 10.241 -1.799 1.00 0.00 C ATOM 1567 O LEU C 23 -8.045 11.281 -1.525 1.00 0.00 O ATOM 1568 CB LEU C 23 -5.113 10.645 -2.558 1.00 0.00 C ATOM 1569 CG LEU C 23 -3.596 10.473 -2.420 1.00 0.00 C ATOM 1570 CD1 LEU C 23 -2.911 11.519 -3.299 1.00 0.00 C ATOM 1571 CD2 LEU C 23 -3.073 10.671 -1.002 1.00 0.00 C ATOM 0 H LEU C 23 -5.050 8.244 -1.836 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.778 10.642 -0.511 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.425 10.174 -3.490 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -5.327 11.710 -2.652 1.00 0.00 H new ATOM 0 HG LEU C 23 -3.376 9.447 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -1.829 11.413 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -3.210 11.374 -4.337 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -3.204 12.517 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -1.992 10.532 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -3.313 11.679 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.539 9.944 -0.337 1.00 0.00 H new ATOM 1583 N GLY C 24 -8.055 9.216 -2.421 1.00 0.00 N ATOM 1584 CA GLY C 24 -9.468 9.264 -2.787 1.00 0.00 C ATOM 1585 C GLY C 24 -9.823 8.282 -3.900 1.00 0.00 C ATOM 1586 O GLY C 24 -8.991 7.463 -4.292 1.00 0.00 O ATOM 0 H GLY C 24 -7.582 8.350 -2.678 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -10.074 9.045 -1.908 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -9.722 10.275 -3.106 1.00 0.00 H new ATOM 1590 N VAL C 25 -11.057 8.359 -4.410 1.00 0.00 N ATOM 1591 CA VAL C 25 -11.511 7.474 -5.480 1.00 0.00 C ATOM 1592 C VAL C 25 -12.210 8.251 -6.595 1.00 0.00 C ATOM 1593 O VAL C 25 -12.597 9.405 -6.418 1.00 0.00 O ATOM 1594 CB VAL C 25 -12.456 6.383 -4.944 1.00 0.00 C ATOM 1595 CG1 VAL C 25 -11.877 5.700 -3.706 1.00 0.00 C ATOM 1596 CG2 VAL C 25 -13.838 6.950 -4.615 1.00 0.00 C ATOM 0 H VAL C 25 -11.759 9.029 -4.095 1.00 0.00 H new ATOM 0 HA VAL C 25 -10.620 6.999 -5.891 1.00 0.00 H new ATOM 0 HB VAL C 25 -12.560 5.643 -5.737 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -12.570 4.936 -3.354 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -10.923 5.236 -3.959 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -11.724 6.440 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -14.479 6.152 -4.239 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -13.742 7.726 -3.855 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -14.280 7.377 -5.515 1.00 0.00 H new ATOM 1606 N SER C 26 -12.366 7.600 -7.749 1.00 0.00 N ATOM 1607 CA SER C 26 -13.064 8.145 -8.905 1.00 0.00 C ATOM 1608 C SER C 26 -13.645 6.998 -9.727 1.00 0.00 C ATOM 1609 O SER C 26 -12.971 6.452 -10.599 1.00 0.00 O ATOM 1610 CB SER C 26 -12.098 8.987 -9.736 1.00 0.00 C ATOM 1611 OG SER C 26 -12.768 9.533 -10.856 1.00 0.00 O ATOM 0 H SER C 26 -12.002 6.660 -7.905 1.00 0.00 H new ATOM 0 HA SER C 26 -13.882 8.788 -8.582 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.683 9.788 -9.124 1.00 0.00 H new ATOM 0 HB3 SER C 26 -11.261 8.373 -10.067 1.00 0.00 H new ATOM 0 HG SER C 26 -12.141 10.072 -11.382 1.00 0.00 H new ATOM 1617 N GLY C 27 -14.898 6.622 -9.454 1.00 0.00 N ATOM 1618 CA GLY C 27 -15.534 5.519 -10.163 1.00 0.00 C ATOM 1619 C GLY C 27 -15.037 4.191 -9.604 1.00 0.00 C ATOM 1620 O GLY C 27 -15.484 3.768 -8.538 1.00 0.00 O ATOM 0 H GLY C 27 -15.486 7.066 -8.749 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -16.617 5.585 -10.060 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -15.311 5.582 -11.228 1.00 0.00 H new ATOM 1624 N GLN C 28 -14.114 3.536 -10.317 1.00 0.00 N ATOM 1625 CA GLN C 28 -13.446 2.348 -9.805 1.00 0.00 C ATOM 1626 C GLN C 28 -11.975 2.664 -9.568 1.00 0.00 C ATOM 1627 O GLN C 28 -11.302 1.908 -8.869 1.00 0.00 O ATOM 1628 CB GLN C 28 -13.547 1.166 -10.772 1.00 0.00 C ATOM 1629 CG GLN C 28 -14.981 0.685 -10.976 1.00 0.00 C ATOM 1630 CD GLN C 28 -15.571 0.098 -9.702 1.00 0.00 C ATOM 1631 OE1 GLN C 28 -15.524 -1.113 -9.497 1.00 0.00 O ATOM 1632 NE2 GLN C 28 -16.132 0.933 -8.831 1.00 0.00 N ATOM 0 H GLN C 28 -13.816 3.814 -11.252 1.00 0.00 H new ATOM 0 HA GLN C 28 -13.941 2.066 -8.876 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -13.126 1.454 -11.735 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -12.943 0.341 -10.394 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -15.599 1.518 -11.312 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -15.003 -0.066 -11.765 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -16.157 1.934 -9.027 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -16.537 0.572 -7.967 1.00 0.00 H new ATOM 1641 N GLN C 29 -11.469 3.763 -10.139 1.00 0.00 N ATOM 1642 CA GLN C 29 -10.106 4.174 -9.885 1.00 0.00 C ATOM 1643 C GLN C 29 -9.998 4.606 -8.428 1.00 0.00 C ATOM 1644 O GLN C 29 -10.946 5.122 -7.838 1.00 0.00 O ATOM 1645 CB GLN C 29 -9.671 5.327 -10.793 1.00 0.00 C ATOM 1646 CG GLN C 29 -9.390 4.875 -12.229 1.00 0.00 C ATOM 1647 CD GLN C 29 -10.645 4.471 -12.996 1.00 0.00 C ATOM 1648 OE1 GLN C 29 -10.634 3.484 -13.722 1.00 0.00 O ATOM 1649 NE2 GLN C 29 -11.737 5.211 -12.853 1.00 0.00 N ATOM 0 H GLN C 29 -11.987 4.371 -10.773 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.448 3.331 -10.095 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.449 6.090 -10.802 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -8.775 5.791 -10.381 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -8.891 5.682 -12.765 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -8.700 4.032 -12.208 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -11.723 6.028 -12.243 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -12.591 4.962 -13.353 1.00 0.00 H new ATOM 1658 N VAL C 30 -8.820 4.387 -7.859 1.00 0.00 N ATOM 1659 CA VAL C 30 -8.502 4.714 -6.487 1.00 0.00 C ATOM 1660 C VAL C 30 -7.099 5.304 -6.493 1.00 0.00 C ATOM 1661 O VAL C 30 -6.131 4.598 -6.789 1.00 0.00 O ATOM 1662 CB VAL C 30 -8.562 3.430 -5.653 1.00 0.00 C ATOM 1663 CG1 VAL C 30 -8.236 3.693 -4.188 1.00 0.00 C ATOM 1664 CG2 VAL C 30 -9.940 2.776 -5.717 1.00 0.00 C ATOM 0 H VAL C 30 -8.039 3.963 -8.360 1.00 0.00 H new ATOM 0 HA VAL C 30 -9.202 5.429 -6.055 1.00 0.00 H new ATOM 0 HB VAL C 30 -7.816 2.762 -6.084 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -8.289 2.758 -3.630 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -7.231 4.107 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -8.954 4.402 -3.777 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -9.941 1.869 -5.113 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -10.689 3.468 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -10.175 2.523 -6.751 1.00 0.00 H new ATOM 1674 N ARG C 31 -6.987 6.595 -6.167 1.00 0.00 N ATOM 1675 CA ARG C 31 -5.696 7.255 -6.115 1.00 0.00 C ATOM 1676 C ARG C 31 -5.107 7.056 -4.731 1.00 0.00 C ATOM 1677 O ARG C 31 -5.760 7.324 -3.722 1.00 0.00 O ATOM 1678 CB ARG C 31 -5.829 8.738 -6.463 1.00 0.00 C ATOM 1679 CG ARG C 31 -4.463 9.414 -6.306 1.00 0.00 C ATOM 1680 CD ARG C 31 -4.400 10.747 -7.040 1.00 0.00 C ATOM 1681 NE ARG C 31 -4.039 10.547 -8.449 1.00 0.00 N ATOM 1682 CZ ARG C 31 -3.201 11.323 -9.140 1.00 0.00 C ATOM 1683 NH1 ARG C 31 -2.647 12.393 -8.581 1.00 0.00 N ATOM 1684 NH2 ARG C 31 -2.913 11.028 -10.406 1.00 0.00 N ATOM 0 H ARG C 31 -7.778 7.196 -5.937 1.00 0.00 H new ATOM 0 HA ARG C 31 -5.025 6.818 -6.854 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -6.191 8.854 -7.485 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.561 9.213 -5.810 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -4.256 9.572 -5.248 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -3.685 8.753 -6.687 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -5.365 11.250 -6.974 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -3.668 11.397 -6.561 1.00 0.00 H new ATOM 0 HE ARG C 31 -4.460 9.756 -8.936 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -2.860 12.630 -7.612 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -2.008 12.977 -9.121 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -3.333 10.210 -10.847 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -2.273 11.620 -10.935 1.00 0.00 H new ATOM 1698 N ILE C 32 -3.861 6.586 -4.696 1.00 0.00 N ATOM 1699 CA ILE C 32 -3.185 6.248 -3.458 1.00 0.00 C ATOM 1700 C ILE C 32 -1.790 6.851 -3.478 1.00 0.00 C ATOM 1701 O ILE C 32 -1.225 7.066 -4.544 1.00 0.00 O ATOM 1702 CB ILE C 32 -3.102 4.723 -3.287 1.00 0.00 C ATOM 1703 CG1 ILE C 32 -4.327 4.013 -3.893 1.00 0.00 C ATOM 1704 CG2 ILE C 32 -2.945 4.393 -1.800 1.00 0.00 C ATOM 1705 CD1 ILE C 32 -4.497 2.578 -3.389 1.00 0.00 C ATOM 0 H ILE C 32 -3.296 6.431 -5.531 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.748 6.652 -2.617 1.00 0.00 H new ATOM 0 HB ILE C 32 -2.232 4.355 -3.830 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -5.225 4.584 -3.656 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.233 4.002 -4.979 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.886 3.312 -1.671 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -2.034 4.854 -1.419 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -3.804 4.777 -1.249 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -5.377 2.132 -3.852 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -3.614 1.994 -3.649 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -4.621 2.585 -2.306 1.00 0.00 H new ATOM 1717 N GLY C 33 -1.237 7.125 -2.297 1.00 0.00 N ATOM 1718 CA GLY C 33 0.094 7.672 -2.157 1.00 0.00 C ATOM 1719 C GLY C 33 0.975 6.700 -1.383 1.00 0.00 C ATOM 1720 O GLY C 33 0.483 5.865 -0.627 1.00 0.00 O ATOM 0 H GLY C 33 -1.712 6.969 -1.408 1.00 0.00 H new ATOM 0 HA2 GLY C 33 0.524 7.862 -3.140 1.00 0.00 H new ATOM 0 HA3 GLY C 33 0.050 8.629 -1.638 1.00 0.00 H new ATOM 1724 N ILE C 34 2.285 6.826 -1.589 1.00 0.00 N ATOM 1725 CA ILE C 34 3.279 5.947 -0.996 1.00 0.00 C ATOM 1726 C ILE C 34 4.467 6.797 -0.593 1.00 0.00 C ATOM 1727 O ILE C 34 4.821 7.745 -1.292 1.00 0.00 O ATOM 1728 CB ILE C 34 3.714 4.884 -2.011 1.00 0.00 C ATOM 1729 CG1 ILE C 34 2.505 4.139 -2.594 1.00 0.00 C ATOM 1730 CG2 ILE C 34 4.682 3.902 -1.339 1.00 0.00 C ATOM 1731 CD1 ILE C 34 2.912 3.219 -3.745 1.00 0.00 C ATOM 0 H ILE C 34 2.686 7.553 -2.181 1.00 0.00 H new ATOM 0 HA ILE C 34 2.864 5.437 -0.127 1.00 0.00 H new ATOM 0 HB ILE C 34 4.220 5.380 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE C 34 2.026 3.552 -1.810 1.00 0.00 H new ATOM 0 HG13 ILE C 34 1.768 4.860 -2.947 1.00 0.00 H new ATOM 0 HG21 ILE C 34 4.992 3.146 -2.060 1.00 0.00 H new ATOM 0 HG22 ILE C 34 5.558 4.442 -0.981 1.00 0.00 H new ATOM 0 HG23 ILE C 34 4.185 3.419 -0.498 1.00 0.00 H new ATOM 0 HD11 ILE C 34 2.030 2.709 -4.132 1.00 0.00 H new ATOM 0 HD12 ILE C 34 3.367 3.810 -4.540 1.00 0.00 H new ATOM 0 HD13 ILE C 34 3.629 2.481 -3.385 1.00 0.00 H new ATOM 1743 N ASN C 35 5.093 6.470 0.536 1.00 0.00 N ATOM 1744 CA ASN C 35 6.188 7.261 1.043 1.00 0.00 C ATOM 1745 C ASN C 35 7.268 6.347 1.608 1.00 0.00 C ATOM 1746 O ASN C 35 7.086 5.753 2.669 1.00 0.00 O ATOM 1747 CB ASN C 35 5.624 8.221 2.092 1.00 0.00 C ATOM 1748 CG ASN C 35 6.616 9.309 2.475 1.00 0.00 C ATOM 1749 OD1 ASN C 35 7.819 9.075 2.556 1.00 0.00 O ATOM 1750 ND2 ASN C 35 6.107 10.514 2.711 1.00 0.00 N ATOM 0 H ASN C 35 4.853 5.661 1.109 1.00 0.00 H new ATOM 0 HA ASN C 35 6.658 7.845 0.252 1.00 0.00 H new ATOM 0 HB2 ASN C 35 4.714 8.682 1.707 1.00 0.00 H new ATOM 0 HB3 ASN C 35 5.344 7.658 2.983 1.00 0.00 H new ATOM 0 HD21 ASN C 35 6.722 11.286 2.970 1.00 0.00 H new ATOM 0 HD22 ASN C 35 5.102 10.667 2.633 1.00 0.00 H new ATOM 1757 N ALA C 36 8.383 6.244 0.883 1.00 0.00 N ATOM 1758 CA ALA C 36 9.513 5.413 1.260 1.00 0.00 C ATOM 1759 C ALA C 36 10.809 6.043 0.767 1.00 0.00 C ATOM 1760 O ALA C 36 10.794 6.825 -0.185 1.00 0.00 O ATOM 1761 CB ALA C 36 9.353 4.035 0.625 1.00 0.00 C ATOM 0 H ALA C 36 8.522 6.745 0.006 1.00 0.00 H new ATOM 0 HA ALA C 36 9.548 5.323 2.346 1.00 0.00 H new ATOM 0 HB1 ALA C 36 10.198 3.406 0.904 1.00 0.00 H new ATOM 0 HB2 ALA C 36 8.428 3.578 0.977 1.00 0.00 H new ATOM 0 HB3 ALA C 36 9.318 4.136 -0.460 1.00 0.00 H new ATOM 1767 N PRO C 37 11.934 5.703 1.407 1.00 0.00 N ATOM 1768 CA PRO C 37 13.251 6.151 0.998 1.00 0.00 C ATOM 1769 C PRO C 37 13.626 5.583 -0.370 1.00 0.00 C ATOM 1770 O PRO C 37 13.077 4.574 -0.804 1.00 0.00 O ATOM 1771 CB PRO C 37 14.197 5.639 2.082 1.00 0.00 C ATOM 1772 CG PRO C 37 13.460 4.472 2.733 1.00 0.00 C ATOM 1773 CD PRO C 37 11.995 4.859 2.583 1.00 0.00 C ATOM 0 HA PRO C 37 13.297 7.235 0.895 1.00 0.00 H new ATOM 0 HB2 PRO C 37 15.147 5.317 1.656 1.00 0.00 H new ATOM 0 HB3 PRO C 37 14.422 6.419 2.810 1.00 0.00 H new ATOM 0 HG2 PRO C 37 13.680 3.528 2.234 1.00 0.00 H new ATOM 0 HG3 PRO C 37 13.740 4.352 3.780 1.00 0.00 H new ATOM 0 HD2 PRO C 37 11.366 3.976 2.465 1.00 0.00 H new ATOM 0 HD3 PRO C 37 11.637 5.390 3.465 1.00 0.00 H new ATOM 1781 N LYS C 38 14.576 6.229 -1.057 1.00 0.00 N ATOM 1782 CA LYS C 38 15.101 5.726 -2.322 1.00 0.00 C ATOM 1783 C LYS C 38 16.004 4.520 -2.094 1.00 0.00 C ATOM 1784 O LYS C 38 16.530 3.943 -3.043 1.00 0.00 O ATOM 1785 CB LYS C 38 15.829 6.855 -3.062 1.00 0.00 C ATOM 1786 CG LYS C 38 14.830 7.950 -3.452 1.00 0.00 C ATOM 1787 CD LYS C 38 13.874 7.466 -4.546 1.00 0.00 C ATOM 1788 CE LYS C 38 14.479 7.605 -5.946 1.00 0.00 C ATOM 1789 NZ LYS C 38 14.658 9.018 -6.323 1.00 0.00 N ATOM 0 H LYS C 38 14.996 7.107 -0.751 1.00 0.00 H new ATOM 0 HA LYS C 38 14.274 5.388 -2.946 1.00 0.00 H new ATOM 0 HB2 LYS C 38 16.611 7.273 -2.428 1.00 0.00 H new ATOM 0 HB3 LYS C 38 16.318 6.462 -3.953 1.00 0.00 H new ATOM 0 HG2 LYS C 38 14.259 8.253 -2.575 1.00 0.00 H new ATOM 0 HG3 LYS C 38 15.370 8.830 -3.801 1.00 0.00 H new ATOM 0 HD2 LYS C 38 13.616 6.422 -4.365 1.00 0.00 H new ATOM 0 HD3 LYS C 38 12.947 8.037 -4.494 1.00 0.00 H new ATOM 0 HE2 LYS C 38 15.442 7.095 -5.979 1.00 0.00 H new ATOM 0 HE3 LYS C 38 13.832 7.113 -6.673 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 14.722 9.096 -7.358 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 13.847 9.573 -5.984 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 15.532 9.384 -5.893 1.00 0.00 H new ATOM 1803 N ASP C 39 16.171 4.153 -0.823 1.00 0.00 N ATOM 1804 CA ASP C 39 16.868 2.941 -0.409 1.00 0.00 C ATOM 1805 C ASP C 39 16.037 1.697 -0.743 1.00 0.00 C ATOM 1806 O ASP C 39 16.514 0.572 -0.585 1.00 0.00 O ATOM 1807 CB ASP C 39 17.117 2.998 1.099 1.00 0.00 C ATOM 1808 CG ASP C 39 18.181 4.037 1.448 1.00 0.00 C ATOM 1809 OD1 ASP C 39 19.380 3.685 1.356 1.00 0.00 O ATOM 1810 OD2 ASP C 39 17.790 5.173 1.806 1.00 0.00 O ATOM 0 H ASP C 39 15.818 4.702 -0.040 1.00 0.00 H new ATOM 0 HA ASP C 39 17.816 2.878 -0.944 1.00 0.00 H new ATOM 0 HB2 ASP C 39 16.187 3.240 1.614 1.00 0.00 H new ATOM 0 HB3 ASP C 39 17.433 2.017 1.455 1.00 0.00 H new ATOM 1815 N VAL C 40 14.799 1.899 -1.207 1.00 0.00 N ATOM 1816 CA VAL C 40 13.888 0.829 -1.587 1.00 0.00 C ATOM 1817 C VAL C 40 13.160 1.231 -2.866 1.00 0.00 C ATOM 1818 O VAL C 40 13.228 2.386 -3.290 1.00 0.00 O ATOM 1819 CB VAL C 40 12.881 0.543 -0.466 1.00 0.00 C ATOM 1820 CG1 VAL C 40 13.596 0.222 0.845 1.00 0.00 C ATOM 1821 CG2 VAL C 40 11.966 1.735 -0.210 1.00 0.00 C ATOM 0 H VAL C 40 14.401 2.830 -1.329 1.00 0.00 H new ATOM 0 HA VAL C 40 14.459 -0.083 -1.760 1.00 0.00 H new ATOM 0 HB VAL C 40 12.291 -0.311 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL C 40 12.858 0.023 1.623 1.00 0.00 H new ATOM 0 HG12 VAL C 40 14.226 -0.657 0.710 1.00 0.00 H new ATOM 0 HG13 VAL C 40 14.214 1.070 1.139 1.00 0.00 H new ATOM 0 HG21 VAL C 40 11.268 1.492 0.591 1.00 0.00 H new ATOM 0 HG22 VAL C 40 12.565 2.598 0.080 1.00 0.00 H new ATOM 0 HG23 VAL C 40 11.410 1.968 -1.118 1.00 0.00 H new ATOM 1831 N ALA C 41 12.464 0.281 -3.488 1.00 0.00 N ATOM 1832 CA ALA C 41 11.799 0.527 -4.756 1.00 0.00 C ATOM 1833 C ALA C 41 10.282 0.512 -4.594 1.00 0.00 C ATOM 1834 O ALA C 41 9.757 -0.059 -3.639 1.00 0.00 O ATOM 1835 CB ALA C 41 12.246 -0.534 -5.767 1.00 0.00 C ATOM 0 H ALA C 41 12.349 -0.667 -3.129 1.00 0.00 H new ATOM 0 HA ALA C 41 12.077 1.517 -5.118 1.00 0.00 H new ATOM 0 HB1 ALA C 41 11.752 -0.357 -6.722 1.00 0.00 H new ATOM 0 HB2 ALA C 41 13.326 -0.476 -5.901 1.00 0.00 H new ATOM 0 HB3 ALA C 41 11.979 -1.524 -5.398 1.00 0.00 H new ATOM 1841 N VAL C 42 9.579 1.142 -5.535 1.00 0.00 N ATOM 1842 CA VAL C 42 8.123 1.126 -5.572 1.00 0.00 C ATOM 1843 C VAL C 42 7.655 1.453 -6.986 1.00 0.00 C ATOM 1844 O VAL C 42 8.077 2.451 -7.570 1.00 0.00 O ATOM 1845 CB VAL C 42 7.548 2.109 -4.541 1.00 0.00 C ATOM 1846 CG1 VAL C 42 8.343 3.412 -4.469 1.00 0.00 C ATOM 1847 CG2 VAL C 42 6.086 2.446 -4.855 1.00 0.00 C ATOM 0 H VAL C 42 10.006 1.677 -6.291 1.00 0.00 H new ATOM 0 HA VAL C 42 7.758 0.134 -5.307 1.00 0.00 H new ATOM 0 HB VAL C 42 7.617 1.606 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL C 42 7.895 4.071 -3.726 1.00 0.00 H new ATOM 0 HG12 VAL C 42 9.373 3.195 -4.187 1.00 0.00 H new ATOM 0 HG13 VAL C 42 8.329 3.901 -5.443 1.00 0.00 H new ATOM 0 HG21 VAL C 42 5.705 3.144 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL C 42 6.022 2.901 -5.843 1.00 0.00 H new ATOM 0 HG23 VAL C 42 5.490 1.533 -4.836 1.00 0.00 H new ATOM 1857 N HIS C 43 6.773 0.612 -7.535 1.00 0.00 N ATOM 1858 CA HIS C 43 6.224 0.808 -8.869 1.00 0.00 C ATOM 1859 C HIS C 43 4.868 0.122 -8.982 1.00 0.00 C ATOM 1860 O HIS C 43 4.467 -0.623 -8.090 1.00 0.00 O ATOM 1861 CB HIS C 43 7.153 0.213 -9.938 1.00 0.00 C ATOM 1862 CG HIS C 43 8.621 0.448 -9.714 1.00 0.00 C ATOM 1863 ND1 HIS C 43 9.360 1.500 -10.263 1.00 0.00 N ATOM 1864 CD2 HIS C 43 9.439 -0.331 -8.946 1.00 0.00 C ATOM 1865 CE1 HIS C 43 10.608 1.330 -9.799 1.00 0.00 C ATOM 1866 NE2 HIS C 43 10.687 0.241 -9.014 1.00 0.00 N ATOM 0 H HIS C 43 6.423 -0.222 -7.063 1.00 0.00 H new ATOM 0 HA HIS C 43 6.122 1.881 -9.030 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.978 -0.861 -9.991 1.00 0.00 H new ATOM 0 HB3 HIS C 43 6.879 0.629 -10.907 1.00 0.00 H new ATOM 0 HD1 HIS C 43 9.024 2.237 -10.882 1.00 0.00 H new ATOM 0 HD2 HIS C 43 9.161 -1.218 -8.396 1.00 0.00 H new ATOM 0 HE1 HIS C 43 11.439 1.982 -10.026 1.00 0.00 H new ATOM 1874 N ARG C 44 4.160 0.376 -10.083 1.00 0.00 N ATOM 1875 CA ARG C 44 2.918 -0.304 -10.386 1.00 0.00 C ATOM 1876 C ARG C 44 3.275 -1.723 -10.810 1.00 0.00 C ATOM 1877 O ARG C 44 4.408 -1.970 -11.223 1.00 0.00 O ATOM 1878 CB ARG C 44 2.215 0.483 -11.496 1.00 0.00 C ATOM 1879 CG ARG C 44 0.834 -0.067 -11.858 1.00 0.00 C ATOM 1880 CD ARG C 44 0.088 0.929 -12.750 1.00 0.00 C ATOM 1881 NE ARG C 44 0.800 1.183 -14.009 1.00 0.00 N ATOM 1882 CZ ARG C 44 1.648 2.194 -14.223 1.00 0.00 C ATOM 1883 NH1 ARG C 44 1.935 3.072 -13.262 1.00 0.00 N ATOM 1884 NH2 ARG C 44 2.220 2.329 -15.413 1.00 0.00 N ATOM 0 H ARG C 44 4.439 1.061 -10.785 1.00 0.00 H new ATOM 0 HA ARG C 44 2.239 -0.360 -9.535 1.00 0.00 H new ATOM 0 HB2 ARG C 44 2.112 1.522 -11.184 1.00 0.00 H new ATOM 0 HB3 ARG C 44 2.843 0.478 -12.387 1.00 0.00 H new ATOM 0 HG2 ARG C 44 0.938 -1.022 -12.374 1.00 0.00 H new ATOM 0 HG3 ARG C 44 0.260 -0.255 -10.951 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -0.908 0.544 -12.969 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -0.044 1.868 -12.213 1.00 0.00 H new ATOM 0 HE ARG C 44 0.634 0.537 -14.781 1.00 0.00 H new ATOM 0 HH11 ARG C 44 1.505 2.980 -12.342 1.00 0.00 H new ATOM 0 HH12 ARG C 44 2.585 3.836 -13.447 1.00 0.00 H new ATOM 0 HH21 ARG C 44 2.012 1.664 -16.157 1.00 0.00 H new ATOM 0 HH22 ARG C 44 2.868 3.098 -15.583 1.00 0.00 H new ATOM 1898 N GLU C 45 2.335 -2.662 -10.718 1.00 0.00 N ATOM 1899 CA GLU C 45 2.622 -4.047 -11.070 1.00 0.00 C ATOM 1900 C GLU C 45 3.108 -4.140 -12.518 1.00 0.00 C ATOM 1901 O GLU C 45 3.812 -5.080 -12.880 1.00 0.00 O ATOM 1902 CB GLU C 45 1.365 -4.889 -10.814 1.00 0.00 C ATOM 1903 CG GLU C 45 1.615 -6.401 -10.793 1.00 0.00 C ATOM 1904 CD GLU C 45 1.863 -7.008 -12.171 1.00 0.00 C ATOM 1905 OE1 GLU C 45 1.155 -6.612 -13.123 1.00 0.00 O ATOM 1906 OE2 GLU C 45 2.770 -7.869 -12.254 1.00 0.00 O ATOM 0 H GLU C 45 1.379 -2.490 -10.406 1.00 0.00 H new ATOM 0 HA GLU C 45 3.428 -4.440 -10.450 1.00 0.00 H new ATOM 0 HB2 GLU C 45 0.930 -4.591 -9.860 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.628 -4.665 -11.585 1.00 0.00 H new ATOM 0 HG2 GLU C 45 2.475 -6.608 -10.156 1.00 0.00 H new ATOM 0 HG3 GLU C 45 0.756 -6.895 -10.339 1.00 0.00 H new ATOM 1913 N GLU C 46 2.733 -3.165 -13.348 1.00 0.00 N ATOM 1914 CA GLU C 46 3.112 -3.115 -14.749 1.00 0.00 C ATOM 1915 C GLU C 46 4.602 -2.814 -14.915 1.00 0.00 C ATOM 1916 O GLU C 46 5.239 -3.328 -15.833 1.00 0.00 O ATOM 1917 CB GLU C 46 2.277 -2.018 -15.410 1.00 0.00 C ATOM 1918 CG GLU C 46 2.533 -1.948 -16.915 1.00 0.00 C ATOM 1919 CD GLU C 46 1.626 -0.912 -17.580 1.00 0.00 C ATOM 1920 OE1 GLU C 46 1.573 0.230 -17.069 1.00 0.00 O ATOM 1921 OE2 GLU C 46 0.990 -1.271 -18.595 1.00 0.00 O ATOM 0 H GLU C 46 2.150 -2.381 -13.056 1.00 0.00 H new ATOM 0 HA GLU C 46 2.928 -4.083 -15.215 1.00 0.00 H new ATOM 0 HB2 GLU C 46 1.219 -2.206 -15.228 1.00 0.00 H new ATOM 0 HB3 GLU C 46 2.513 -1.056 -14.955 1.00 0.00 H new ATOM 0 HG2 GLU C 46 3.577 -1.693 -17.098 1.00 0.00 H new ATOM 0 HG3 GLU C 46 2.361 -2.927 -17.362 1.00 0.00 H new ATOM 1928 N ILE C 47 5.162 -1.982 -14.029 1.00 0.00 N ATOM 1929 CA ILE C 47 6.557 -1.568 -14.126 1.00 0.00 C ATOM 1930 C ILE C 47 7.445 -2.517 -13.331 1.00 0.00 C ATOM 1931 O ILE C 47 8.604 -2.714 -13.693 1.00 0.00 O ATOM 1932 CB ILE C 47 6.702 -0.127 -13.615 1.00 0.00 C ATOM 1933 CG1 ILE C 47 6.296 0.913 -14.666 1.00 0.00 C ATOM 1934 CG2 ILE C 47 8.154 0.194 -13.246 1.00 0.00 C ATOM 1935 CD1 ILE C 47 4.879 0.737 -15.204 1.00 0.00 C ATOM 0 H ILE C 47 4.663 -1.583 -13.234 1.00 0.00 H new ATOM 0 HA ILE C 47 6.873 -1.604 -15.169 1.00 0.00 H new ATOM 0 HB ILE C 47 6.045 -0.071 -12.747 1.00 0.00 H new ATOM 0 HG12 ILE C 47 6.386 1.908 -14.230 1.00 0.00 H new ATOM 0 HG13 ILE C 47 6.998 0.865 -15.499 1.00 0.00 H new ATOM 0 HG21 ILE C 47 8.220 1.222 -12.888 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.489 -0.485 -12.462 1.00 0.00 H new ATOM 0 HG23 ILE C 47 8.788 0.074 -14.125 1.00 0.00 H new ATOM 0 HD11 ILE C 47 4.671 1.512 -15.942 1.00 0.00 H new ATOM 0 HD12 ILE C 47 4.787 -0.243 -15.672 1.00 0.00 H new ATOM 0 HD13 ILE C 47 4.166 0.816 -14.384 1.00 0.00 H new ATOM 1947 N TYR C 48 6.923 -3.105 -12.253 1.00 0.00 N ATOM 1948 CA TYR C 48 7.687 -3.990 -11.389 1.00 0.00 C ATOM 1949 C TYR C 48 8.338 -5.119 -12.181 1.00 0.00 C ATOM 1950 O TYR C 48 9.396 -5.616 -11.807 1.00 0.00 O ATOM 1951 CB TYR C 48 6.740 -4.571 -10.342 1.00 0.00 C ATOM 1952 CG TYR C 48 7.402 -5.516 -9.365 1.00 0.00 C ATOM 1953 CD1 TYR C 48 8.083 -5.003 -8.251 1.00 0.00 C ATOM 1954 CD2 TYR C 48 7.332 -6.903 -9.565 1.00 0.00 C ATOM 1955 CE1 TYR C 48 8.665 -5.872 -7.317 1.00 0.00 C ATOM 1956 CE2 TYR C 48 7.889 -7.777 -8.627 1.00 0.00 C ATOM 1957 CZ TYR C 48 8.557 -7.266 -7.495 1.00 0.00 C ATOM 1958 OH TYR C 48 9.089 -8.125 -6.581 1.00 0.00 O ATOM 0 H TYR C 48 5.955 -2.977 -11.959 1.00 0.00 H new ATOM 0 HA TYR C 48 8.486 -3.421 -10.914 1.00 0.00 H new ATOM 0 HB2 TYR C 48 6.284 -3.752 -9.786 1.00 0.00 H new ATOM 0 HB3 TYR C 48 5.933 -5.099 -10.851 1.00 0.00 H new ATOM 0 HD1 TYR C 48 8.159 -3.935 -8.112 1.00 0.00 H new ATOM 0 HD2 TYR C 48 6.847 -7.296 -10.446 1.00 0.00 H new ATOM 0 HE1 TYR C 48 9.194 -5.474 -6.464 1.00 0.00 H new ATOM 0 HE2 TYR C 48 7.808 -8.844 -8.769 1.00 0.00 H new ATOM 0 HH TYR C 48 8.920 -9.048 -6.863 1.00 0.00 H new