USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=22 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= -0.374 K(o=-0.37,f=-2.2) 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 11 SER OG : rot 180:sc= 0.412 USER MOD Set 3.2: A 21 THR OG1 : rot -75:sc= 0.444 USER MOD Single : A 1 MET CE :methyl -127:sc= -0.011 (180deg=-0.232) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0486 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0412) USER MOD Single : A 13 ASN : amide:sc= 0.861 K(o=0.86,f=-0.4) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -120:sc= 0.696 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.918 F(o=-4.6!,f=-0.92) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0382 K(o=-0.038,f=-1.4) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= -0.0631 (180deg=-0.469) USER MOD Single : A 43 HIS : no HE2:sc= -1.77 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= -0.0169 (180deg=-0.315) USER MOD Single : C 1 MET N :NH3+ 132:sc= 0.0537 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 140:sc= 0.326 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot -60:sc= 0.123 USER MOD Single : C 28 GLN : amide:sc= -0.5 X(o=-0.5,f=-0.28) USER MOD Single : C 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 35 ASN : amide:sc= -0.0223 K(o=-0.022,f=-1.3) USER MOD Single : C 38 LYS NZ :NH3+ 159:sc= -0.0602 (180deg=-0.489) USER MOD Single : C 43 HIS : no HE2:sc= -2.24 K(o=-2.2,f=-3.8!) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.836 -5.249 -11.474 1.00 0.00 N ATOM 2 CA MET A 1 -5.804 -4.321 -10.327 1.00 0.00 C ATOM 3 C MET A 1 -6.945 -4.625 -9.366 1.00 0.00 C ATOM 4 O MET A 1 -8.012 -5.060 -9.797 1.00 0.00 O ATOM 5 CB MET A 1 -5.930 -2.875 -10.806 1.00 0.00 C ATOM 6 CG MET A 1 -5.629 -1.855 -9.704 1.00 0.00 C ATOM 7 SD MET A 1 -3.870 -1.544 -9.436 1.00 0.00 S ATOM 8 CE MET A 1 -3.599 -0.504 -10.890 1.00 0.00 C ATOM 0 H1 MET A 1 -5.559 -4.742 -12.339 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.174 -6.033 -11.305 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.798 -5.627 -11.588 1.00 0.00 H new ATOM 0 HA MET A 1 -4.851 -4.452 -9.814 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.248 -2.713 -11.640 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.939 -2.709 -11.183 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.118 -0.913 -9.954 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.070 -2.206 -8.771 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.764 -0.899 -11.469 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.498 -0.499 -11.506 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.371 0.513 -10.572 1.00 0.00 H new ATOM 20 N LEU A 2 -6.725 -4.392 -8.073 1.00 0.00 N ATOM 21 CA LEU A 2 -7.739 -4.538 -7.041 1.00 0.00 C ATOM 22 C LEU A 2 -7.686 -3.279 -6.176 1.00 0.00 C ATOM 23 O LEU A 2 -6.696 -3.049 -5.485 1.00 0.00 O ATOM 24 CB LEU A 2 -7.447 -5.836 -6.279 1.00 0.00 C ATOM 25 CG LEU A 2 -8.436 -6.196 -5.161 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.087 -5.481 -3.859 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.880 -5.873 -5.543 1.00 0.00 C ATOM 0 H LEU A 2 -5.820 -4.091 -7.711 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.754 -4.623 -7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.424 -6.657 -6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.450 -5.763 -5.845 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.351 -7.273 -5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.806 -5.757 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.085 -5.771 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.120 -4.403 -4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.543 -6.145 -4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.973 -4.806 -5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.156 -6.438 -6.434 1.00 0.00 H new ATOM 39 N ILE A 3 -8.742 -2.458 -6.218 1.00 0.00 N ATOM 40 CA ILE A 3 -8.729 -1.157 -5.566 1.00 0.00 C ATOM 41 C ILE A 3 -9.411 -1.207 -4.217 1.00 0.00 C ATOM 42 O ILE A 3 -10.287 -2.039 -3.976 1.00 0.00 O ATOM 43 CB ILE A 3 -9.416 -0.049 -6.385 1.00 0.00 C ATOM 44 CG1 ILE A 3 -9.881 -0.377 -7.804 1.00 0.00 C ATOM 45 CG2 ILE A 3 -8.493 1.164 -6.440 1.00 0.00 C ATOM 46 CD1 ILE A 3 -8.816 -0.869 -8.774 1.00 0.00 C ATOM 0 H ILE A 3 -9.614 -2.678 -6.699 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.671 -0.915 -5.463 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.348 0.124 -5.846 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.660 -1.136 -7.740 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.340 0.516 -8.227 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.968 1.957 -7.018 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.298 1.519 -5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.552 0.884 -6.914 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.271 -1.067 -9.744 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.044 -0.107 -8.884 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.369 -1.786 -8.389 1.00 0.00 H new ATOM 58 N LEU A 4 -8.986 -0.289 -3.350 1.00 0.00 N ATOM 59 CA LEU A 4 -9.544 -0.078 -2.033 1.00 0.00 C ATOM 60 C LEU A 4 -9.459 1.409 -1.717 1.00 0.00 C ATOM 61 O LEU A 4 -8.635 2.127 -2.281 1.00 0.00 O ATOM 62 CB LEU A 4 -8.754 -0.879 -0.996 1.00 0.00 C ATOM 63 CG LEU A 4 -8.944 -2.392 -1.137 1.00 0.00 C ATOM 64 CD1 LEU A 4 -8.091 -3.097 -0.088 1.00 0.00 C ATOM 65 CD2 LEU A 4 -10.392 -2.806 -0.890 1.00 0.00 C ATOM 0 H LEU A 4 -8.216 0.346 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.582 -0.411 -2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.695 -0.641 -1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.061 -0.571 0.004 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.658 -2.666 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.219 -4.176 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.042 -2.842 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.401 -2.778 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.485 -3.886 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.686 -2.517 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.040 -2.311 -1.613 1.00 0.00 H new ATOM 77 N THR A 5 -10.320 1.869 -0.810 1.00 0.00 N ATOM 78 CA THR A 5 -10.308 3.250 -0.353 1.00 0.00 C ATOM 79 C THR A 5 -10.262 3.229 1.167 1.00 0.00 C ATOM 80 O THR A 5 -11.009 2.488 1.806 1.00 0.00 O ATOM 81 CB THR A 5 -11.535 3.995 -0.876 1.00 0.00 C ATOM 82 OG1 THR A 5 -11.539 3.980 -2.285 1.00 0.00 O ATOM 83 CG2 THR A 5 -11.542 5.454 -0.429 1.00 0.00 C ATOM 0 H THR A 5 -11.041 1.294 -0.375 1.00 0.00 H new ATOM 0 HA THR A 5 -9.436 3.781 -0.736 1.00 0.00 H new ATOM 0 HB THR A 5 -12.413 3.490 -0.474 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.329 4.457 -2.615 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.430 5.950 -0.821 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.551 5.501 0.660 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.650 5.954 -0.807 1.00 0.00 H new ATOM 91 N ARG A 6 -9.381 4.051 1.743 1.00 0.00 N ATOM 92 CA ARG A 6 -9.101 4.035 3.169 1.00 0.00 C ATOM 93 C ARG A 6 -8.943 5.445 3.700 1.00 0.00 C ATOM 94 O ARG A 6 -9.133 6.406 2.956 1.00 0.00 O ATOM 95 CB ARG A 6 -7.823 3.241 3.431 1.00 0.00 C ATOM 96 CG ARG A 6 -7.851 1.903 2.711 1.00 0.00 C ATOM 97 CD ARG A 6 -6.695 1.056 3.219 1.00 0.00 C ATOM 98 NE ARG A 6 -5.410 1.764 3.178 1.00 0.00 N ATOM 99 CZ ARG A 6 -4.480 1.606 2.230 1.00 0.00 C ATOM 100 NH1 ARG A 6 -4.710 0.851 1.159 1.00 0.00 N ATOM 101 NH2 ARG A 6 -3.302 2.208 2.355 1.00 0.00 N ATOM 0 H ARG A 6 -8.843 4.747 1.226 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.938 3.563 3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.959 3.817 3.100 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.706 3.078 4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.799 1.396 2.891 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.768 2.051 1.634 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.901 0.745 4.243 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.624 0.149 2.619 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.212 2.426 3.928 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.608 0.380 1.050 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.988 0.743 0.447 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.110 2.788 3.172 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.590 2.090 1.634 1.00 0.00 H new ATOM 115 N LYS A 7 -8.596 5.580 4.981 1.00 0.00 N ATOM 116 CA LYS A 7 -8.276 6.881 5.557 1.00 0.00 C ATOM 117 C LYS A 7 -6.985 6.803 6.340 1.00 0.00 C ATOM 118 O LYS A 7 -6.529 5.712 6.677 1.00 0.00 O ATOM 119 CB LYS A 7 -9.413 7.404 6.436 1.00 0.00 C ATOM 120 CG LYS A 7 -9.618 6.566 7.703 1.00 0.00 C ATOM 121 CD LYS A 7 -10.595 7.257 8.655 1.00 0.00 C ATOM 122 CE LYS A 7 -11.914 7.601 7.960 1.00 0.00 C ATOM 123 NZ LYS A 7 -12.607 6.389 7.489 1.00 0.00 N ATOM 0 H LYS A 7 -8.530 4.802 5.637 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.148 7.588 4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.203 8.436 6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.338 7.414 5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.999 5.580 7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.662 6.413 8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.792 6.608 9.509 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.141 8.168 9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.559 8.146 8.650 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.720 8.262 7.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.549 6.645 7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.054 5.947 6.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.708 5.718 8.277 1.00 0.00 H new ATOM 137 N VAL A 8 -6.399 7.962 6.629 1.00 0.00 N ATOM 138 CA VAL A 8 -5.155 7.985 7.376 1.00 0.00 C ATOM 139 C VAL A 8 -5.299 7.280 8.722 1.00 0.00 C ATOM 140 O VAL A 8 -6.061 7.704 9.592 1.00 0.00 O ATOM 141 CB VAL A 8 -4.625 9.411 7.490 1.00 0.00 C ATOM 142 CG1 VAL A 8 -4.430 9.933 6.071 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.540 10.375 8.237 1.00 0.00 C ATOM 0 H VAL A 8 -6.760 8.878 6.362 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.404 7.417 6.827 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.703 9.366 8.070 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.050 10.954 6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.716 9.299 5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.384 9.919 5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.081 11.363 8.267 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.500 10.437 7.724 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.695 10.015 9.254 1.00 0.00 H new ATOM 153 N GLY A 9 -4.548 6.187 8.869 1.00 0.00 N ATOM 154 CA GLY A 9 -4.531 5.375 10.078 1.00 0.00 C ATOM 155 C GLY A 9 -5.005 3.936 9.850 1.00 0.00 C ATOM 156 O GLY A 9 -4.782 3.085 10.711 1.00 0.00 O ATOM 0 H GLY A 9 -3.927 5.839 8.138 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.518 5.357 10.481 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.165 5.844 10.831 1.00 0.00 H new ATOM 160 N GLU A 10 -5.653 3.647 8.717 1.00 0.00 N ATOM 161 CA GLU A 10 -6.150 2.301 8.441 1.00 0.00 C ATOM 162 C GLU A 10 -5.040 1.374 7.937 1.00 0.00 C ATOM 163 O GLU A 10 -3.927 1.817 7.655 1.00 0.00 O ATOM 164 CB GLU A 10 -7.278 2.354 7.410 1.00 0.00 C ATOM 165 CG GLU A 10 -8.428 3.239 7.891 1.00 0.00 C ATOM 166 CD GLU A 10 -9.731 2.924 7.161 1.00 0.00 C ATOM 167 OE1 GLU A 10 -9.679 2.766 5.924 1.00 0.00 O ATOM 168 OE2 GLU A 10 -10.774 2.843 7.848 1.00 0.00 O ATOM 0 H GLU A 10 -5.844 4.326 7.980 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.527 1.897 9.380 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.892 2.737 6.465 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.647 1.346 7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.569 3.100 8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.169 4.287 7.737 1.00 0.00 H new ATOM 175 N SER A 11 -5.356 0.076 7.825 1.00 0.00 N ATOM 176 CA SER A 11 -4.403 -0.945 7.406 1.00 0.00 C ATOM 177 C SER A 11 -5.060 -1.964 6.478 1.00 0.00 C ATOM 178 O SER A 11 -6.286 -2.043 6.410 1.00 0.00 O ATOM 179 CB SER A 11 -3.837 -1.659 8.636 1.00 0.00 C ATOM 180 OG SER A 11 -3.133 -0.748 9.455 1.00 0.00 O ATOM 0 H SER A 11 -6.287 -0.290 8.025 1.00 0.00 H new ATOM 0 HA SER A 11 -3.596 -0.455 6.860 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.647 -2.117 9.204 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.173 -2.465 8.323 1.00 0.00 H new ATOM 0 HG SER A 11 -2.778 -1.219 10.238 1.00 0.00 H new ATOM 186 N ILE A 12 -4.228 -2.737 5.772 1.00 0.00 N ATOM 187 CA ILE A 12 -4.622 -3.689 4.734 1.00 0.00 C ATOM 188 C ILE A 12 -3.692 -4.906 4.799 1.00 0.00 C ATOM 189 O ILE A 12 -2.611 -4.814 5.380 1.00 0.00 O ATOM 190 CB ILE A 12 -4.505 -2.987 3.371 1.00 0.00 C ATOM 191 CG1 ILE A 12 -5.480 -1.811 3.255 1.00 0.00 C ATOM 192 CG2 ILE A 12 -4.719 -3.938 2.188 1.00 0.00 C ATOM 193 CD1 ILE A 12 -6.945 -2.237 3.383 1.00 0.00 C ATOM 0 H ILE A 12 -3.219 -2.713 5.916 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.648 -4.027 4.879 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.481 -2.615 3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.251 -1.078 4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.333 -1.317 2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.624 -3.384 1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.971 -4.730 2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.715 -4.377 2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.588 -1.361 3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.187 -2.948 2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.104 -2.705 4.354 1.00 0.00 H new ATOM 205 N ASN A 13 -4.096 -6.042 4.216 1.00 0.00 N ATOM 206 CA ASN A 13 -3.293 -7.260 4.263 1.00 0.00 C ATOM 207 C ASN A 13 -2.981 -7.788 2.863 1.00 0.00 C ATOM 208 O ASN A 13 -3.773 -7.616 1.935 1.00 0.00 O ATOM 209 CB ASN A 13 -4.028 -8.334 5.072 1.00 0.00 C ATOM 210 CG ASN A 13 -3.112 -8.932 6.127 1.00 0.00 C ATOM 211 OD1 ASN A 13 -2.235 -9.734 5.816 1.00 0.00 O ATOM 212 ND2 ASN A 13 -3.306 -8.545 7.382 1.00 0.00 N ATOM 0 H ASN A 13 -4.975 -6.138 3.707 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.346 -7.017 4.745 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.906 -7.899 5.550 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.384 -9.119 4.405 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.716 -8.916 8.127 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.045 -7.877 7.601 1.00 0.00 H new ATOM 219 N ILE A 14 -1.816 -8.431 2.733 1.00 0.00 N ATOM 220 CA ILE A 14 -1.348 -9.043 1.497 1.00 0.00 C ATOM 221 C ILE A 14 -0.690 -10.376 1.843 1.00 0.00 C ATOM 222 O ILE A 14 0.131 -10.451 2.758 1.00 0.00 O ATOM 223 CB ILE A 14 -0.343 -8.122 0.786 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.984 -6.763 0.472 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.161 -8.800 -0.494 1.00 0.00 C ATOM 226 CD1 ILE A 14 -0.013 -5.818 -0.235 1.00 0.00 C ATOM 0 H ILE A 14 -1.160 -8.540 3.507 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.189 -9.204 0.822 1.00 0.00 H new ATOM 0 HB ILE A 14 0.506 -7.944 1.446 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.863 -6.914 -0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.328 -6.302 1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.873 -8.145 -0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.650 -9.740 -0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.681 -8.997 -1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.511 -4.869 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.854 -5.644 0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.311 -6.265 -1.175 1.00 0.00 H new ATOM 238 N GLY A 15 -1.048 -11.429 1.101 1.00 0.00 N ATOM 239 CA GLY A 15 -0.538 -12.763 1.371 1.00 0.00 C ATOM 240 C GLY A 15 -0.832 -13.149 2.818 1.00 0.00 C ATOM 241 O GLY A 15 -1.876 -12.797 3.364 1.00 0.00 O ATOM 0 H GLY A 15 -1.690 -11.376 0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.998 -13.482 0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.536 -12.795 1.188 1.00 0.00 H new ATOM 245 N ASP A 16 0.094 -13.876 3.438 1.00 0.00 N ATOM 246 CA ASP A 16 0.000 -14.259 4.840 1.00 0.00 C ATOM 247 C ASP A 16 1.253 -13.802 5.585 1.00 0.00 C ATOM 248 O ASP A 16 1.519 -14.257 6.698 1.00 0.00 O ATOM 249 CB ASP A 16 -0.215 -15.770 4.953 1.00 0.00 C ATOM 250 CG ASP A 16 -1.486 -16.205 4.226 1.00 0.00 C ATOM 251 OD1 ASP A 16 -2.576 -16.013 4.810 1.00 0.00 O ATOM 252 OD2 ASP A 16 -1.359 -16.728 3.095 1.00 0.00 O ATOM 0 H ASP A 16 0.937 -14.218 2.976 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.857 -13.769 5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.644 -16.294 4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.279 -16.053 6.004 1.00 0.00 H new ATOM 257 N ASP A 17 2.030 -12.899 4.970 1.00 0.00 N ATOM 258 CA ASP A 17 3.310 -12.454 5.499 1.00 0.00 C ATOM 259 C ASP A 17 3.512 -10.945 5.359 1.00 0.00 C ATOM 260 O ASP A 17 4.567 -10.443 5.736 1.00 0.00 O ATOM 261 CB ASP A 17 4.439 -13.192 4.773 1.00 0.00 C ATOM 262 CG ASP A 17 4.326 -14.706 4.952 1.00 0.00 C ATOM 263 OD1 ASP A 17 4.793 -15.200 6.001 1.00 0.00 O ATOM 264 OD2 ASP A 17 3.776 -15.360 4.036 1.00 0.00 O ATOM 0 H ASP A 17 1.778 -12.459 4.085 1.00 0.00 H new ATOM 0 HA ASP A 17 3.322 -12.683 6.565 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.411 -12.947 3.711 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.402 -12.851 5.154 1.00 0.00 H new ATOM 269 N ILE A 18 2.533 -10.200 4.828 1.00 0.00 N ATOM 270 CA ILE A 18 2.698 -8.761 4.648 1.00 0.00 C ATOM 271 C ILE A 18 1.456 -8.004 5.104 1.00 0.00 C ATOM 272 O ILE A 18 0.333 -8.488 4.983 1.00 0.00 O ATOM 273 CB ILE A 18 3.013 -8.421 3.180 1.00 0.00 C ATOM 274 CG1 ILE A 18 4.201 -9.216 2.625 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.325 -6.927 3.051 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.726 -10.493 1.934 1.00 0.00 C ATOM 0 H ILE A 18 1.633 -10.568 4.521 1.00 0.00 H new ATOM 0 HA ILE A 18 3.540 -8.449 5.266 1.00 0.00 H new ATOM 0 HB ILE A 18 2.130 -8.690 2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.757 -8.600 1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.885 -9.469 3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.547 -6.690 2.011 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.463 -6.346 3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.187 -6.680 3.671 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.587 -11.040 1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.191 -11.117 2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.061 -10.235 1.110 1.00 0.00 H new ATOM 288 N THR A 19 1.676 -6.800 5.634 1.00 0.00 N ATOM 289 CA THR A 19 0.615 -5.896 6.059 1.00 0.00 C ATOM 290 C THR A 19 0.996 -4.486 5.618 1.00 0.00 C ATOM 291 O THR A 19 2.179 -4.178 5.476 1.00 0.00 O ATOM 292 CB THR A 19 0.446 -5.976 7.580 1.00 0.00 C ATOM 293 OG1 THR A 19 0.198 -7.312 7.962 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.720 -5.120 8.072 1.00 0.00 C ATOM 0 H THR A 19 2.612 -6.423 5.781 1.00 0.00 H new ATOM 0 HA THR A 19 -0.338 -6.172 5.607 1.00 0.00 H new ATOM 0 HB THR A 19 1.369 -5.604 8.025 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.092 -7.360 8.935 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.803 -5.207 9.155 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.545 -4.078 7.804 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.645 -5.464 7.609 1.00 0.00 H new ATOM 302 N ILE A 20 -0.006 -3.631 5.399 1.00 0.00 N ATOM 303 CA ILE A 20 0.192 -2.282 4.887 1.00 0.00 C ATOM 304 C ILE A 20 -0.593 -1.307 5.761 1.00 0.00 C ATOM 305 O ILE A 20 -1.631 -1.672 6.308 1.00 0.00 O ATOM 306 CB ILE A 20 -0.303 -2.214 3.435 1.00 0.00 C ATOM 307 CG1 ILE A 20 0.379 -3.258 2.538 1.00 0.00 C ATOM 308 CG2 ILE A 20 -0.093 -0.812 2.854 1.00 0.00 C ATOM 309 CD1 ILE A 20 1.873 -3.000 2.344 1.00 0.00 C ATOM 0 H ILE A 20 -0.984 -3.862 5.575 1.00 0.00 H new ATOM 0 HA ILE A 20 1.249 -2.017 4.910 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.369 -2.440 3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.241 -4.248 2.974 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.111 -3.267 1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.451 -0.787 1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.647 -0.085 3.448 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.968 -0.565 2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.295 -3.772 1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.017 -2.024 1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.374 -3.020 3.312 1.00 0.00 H new ATOM 321 N THR A 21 -0.100 -0.072 5.888 1.00 0.00 N ATOM 322 CA THR A 21 -0.745 0.944 6.712 1.00 0.00 C ATOM 323 C THR A 21 -0.525 2.325 6.105 1.00 0.00 C ATOM 324 O THR A 21 0.587 2.659 5.707 1.00 0.00 O ATOM 325 CB THR A 21 -0.147 0.913 8.121 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.248 -0.382 8.674 1.00 0.00 O ATOM 327 CG2 THR A 21 -0.869 1.885 9.052 1.00 0.00 C ATOM 0 H THR A 21 0.751 0.246 5.425 1.00 0.00 H new ATOM 0 HA THR A 21 -1.814 0.737 6.759 1.00 0.00 H new ATOM 0 HB THR A 21 0.899 1.205 8.030 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.174 -0.550 8.947 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.421 1.839 10.044 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.780 2.898 8.660 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.922 1.612 9.117 1.00 0.00 H new ATOM 335 N ILE A 22 -1.585 3.134 6.035 1.00 0.00 N ATOM 336 CA ILE A 22 -1.514 4.511 5.564 1.00 0.00 C ATOM 337 C ILE A 22 -1.254 5.389 6.784 1.00 0.00 C ATOM 338 O ILE A 22 -2.181 5.759 7.502 1.00 0.00 O ATOM 339 CB ILE A 22 -2.804 4.880 4.803 1.00 0.00 C ATOM 340 CG1 ILE A 22 -2.950 6.386 4.577 1.00 0.00 C ATOM 341 CG2 ILE A 22 -4.060 4.373 5.517 1.00 0.00 C ATOM 342 CD1 ILE A 22 -1.781 6.952 3.784 1.00 0.00 C ATOM 0 H ILE A 22 -2.524 2.844 6.308 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.704 4.659 4.850 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.709 4.387 3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.881 6.586 4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.017 6.894 5.539 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.943 4.656 4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.016 3.287 5.603 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.116 4.814 6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.921 8.024 3.644 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.853 6.775 4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.730 6.463 2.811 1.00 0.00 H new ATOM 354 N LEU A 23 0.016 5.730 7.033 1.00 0.00 N ATOM 355 CA LEU A 23 0.373 6.455 8.243 1.00 0.00 C ATOM 356 C LEU A 23 -0.191 7.873 8.193 1.00 0.00 C ATOM 357 O LEU A 23 -0.448 8.469 9.236 1.00 0.00 O ATOM 358 CB LEU A 23 1.895 6.485 8.452 1.00 0.00 C ATOM 359 CG LEU A 23 2.634 5.295 7.845 1.00 0.00 C ATOM 360 CD1 LEU A 23 4.133 5.527 7.979 1.00 0.00 C ATOM 361 CD2 LEU A 23 2.262 3.992 8.546 1.00 0.00 C ATOM 0 H LEU A 23 0.800 5.516 6.417 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.065 5.930 9.092 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.292 7.404 8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.103 6.520 9.521 1.00 0.00 H new ATOM 0 HG LEU A 23 2.349 5.209 6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.672 4.683 7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.408 6.440 7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.393 5.624 9.033 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.806 3.165 8.089 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.524 4.059 9.602 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.190 3.819 8.448 1.00 0.00 H new ATOM 373 N GLY A 24 -0.380 8.412 6.983 1.00 0.00 N ATOM 374 CA GLY A 24 -1.024 9.704 6.792 1.00 0.00 C ATOM 375 C GLY A 24 -0.620 10.351 5.474 1.00 0.00 C ATOM 376 O GLY A 24 -0.001 9.707 4.627 1.00 0.00 O ATOM 0 H GLY A 24 -0.090 7.962 6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.106 9.577 6.817 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.761 10.366 7.617 1.00 0.00 H new ATOM 380 N VAL A 25 -0.972 11.629 5.296 1.00 0.00 N ATOM 381 CA VAL A 25 -0.581 12.380 4.111 1.00 0.00 C ATOM 382 C VAL A 25 0.155 13.655 4.522 1.00 0.00 C ATOM 383 O VAL A 25 0.176 14.015 5.699 1.00 0.00 O ATOM 384 CB VAL A 25 -1.782 12.686 3.199 1.00 0.00 C ATOM 385 CG1 VAL A 25 -2.734 11.493 3.073 1.00 0.00 C ATOM 386 CG2 VAL A 25 -2.582 13.895 3.674 1.00 0.00 C ATOM 0 H VAL A 25 -1.529 12.162 5.964 1.00 0.00 H new ATOM 0 HA VAL A 25 0.098 11.761 3.525 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.348 12.906 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.565 11.758 2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.198 10.643 2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.117 11.228 4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.418 14.068 2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.962 13.708 4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.938 14.775 3.688 1.00 0.00 H new ATOM 396 N SER A 26 0.757 14.336 3.541 1.00 0.00 N ATOM 397 CA SER A 26 1.564 15.530 3.765 1.00 0.00 C ATOM 398 C SER A 26 1.414 16.475 2.579 1.00 0.00 C ATOM 399 O SER A 26 2.401 16.872 1.962 1.00 0.00 O ATOM 400 CB SER A 26 3.036 15.155 3.951 1.00 0.00 C ATOM 401 OG SER A 26 3.208 14.386 5.123 1.00 0.00 O ATOM 0 H SER A 26 0.694 14.067 2.559 1.00 0.00 H new ATOM 0 HA SER A 26 1.217 16.026 4.671 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.386 14.592 3.086 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.643 16.059 4.010 1.00 0.00 H new ATOM 0 HG SER A 26 3.820 14.850 5.732 1.00 0.00 H new ATOM 407 N GLY A 27 0.170 16.830 2.261 1.00 0.00 N ATOM 408 CA GLY A 27 -0.132 17.611 1.078 1.00 0.00 C ATOM 409 C GLY A 27 -0.761 16.666 0.061 1.00 0.00 C ATOM 410 O GLY A 27 -1.717 15.966 0.387 1.00 0.00 O ATOM 0 H GLY A 27 -0.648 16.582 2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.815 18.426 1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.774 18.063 0.674 1.00 0.00 H new ATOM 414 N GLN A 28 -0.231 16.638 -1.163 1.00 0.00 N ATOM 415 CA GLN A 28 -0.714 15.711 -2.171 1.00 0.00 C ATOM 416 C GLN A 28 0.216 14.499 -2.214 1.00 0.00 C ATOM 417 O GLN A 28 0.032 13.567 -3.002 1.00 0.00 O ATOM 418 CB GLN A 28 -0.877 16.415 -3.518 1.00 0.00 C ATOM 419 CG GLN A 28 -1.837 15.632 -4.418 1.00 0.00 C ATOM 420 CD GLN A 28 -3.198 15.458 -3.754 1.00 0.00 C ATOM 421 OE1 GLN A 28 -3.385 14.366 -3.015 1.00 0.00 O flip ATOM 422 NE2 GLN A 28 -4.082 16.300 -3.898 1.00 0.00 N flip ATOM 0 H GLN A 28 0.528 17.245 -1.473 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.709 15.346 -1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.256 17.425 -3.364 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.093 16.509 -4.006 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.957 16.154 -5.367 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.412 14.654 -4.644 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.910 17.127 -4.470 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.987 16.172 -3.445 1.00 0.00 H new ATOM 431 N GLN A 29 1.228 14.532 -1.340 1.00 0.00 N ATOM 432 CA GLN A 29 2.056 13.388 -1.044 1.00 0.00 C ATOM 433 C GLN A 29 1.304 12.506 -0.051 1.00 0.00 C ATOM 434 O GLN A 29 0.348 12.948 0.585 1.00 0.00 O ATOM 435 CB GLN A 29 3.376 13.835 -0.419 1.00 0.00 C ATOM 436 CG GLN A 29 4.371 14.324 -1.473 1.00 0.00 C ATOM 437 CD GLN A 29 5.795 14.315 -0.932 1.00 0.00 C ATOM 438 OE1 GLN A 29 6.562 13.392 -1.202 1.00 0.00 O ATOM 439 NE2 GLN A 29 6.163 15.338 -0.166 1.00 0.00 N ATOM 0 H GLN A 29 1.487 15.370 -0.819 1.00 0.00 H new ATOM 0 HA GLN A 29 2.273 12.843 -1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.186 14.633 0.298 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.814 13.005 0.136 1.00 0.00 H new ATOM 0 HG2 GLN A 29 4.311 13.688 -2.356 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.105 15.333 -1.788 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.501 16.087 0.038 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.107 15.374 0.218 1.00 0.00 H new ATOM 448 N VAL A 30 1.740 11.257 0.078 1.00 0.00 N ATOM 449 CA VAL A 30 1.141 10.273 0.963 1.00 0.00 C ATOM 450 C VAL A 30 2.280 9.472 1.580 1.00 0.00 C ATOM 451 O VAL A 30 3.311 9.280 0.934 1.00 0.00 O ATOM 452 CB VAL A 30 0.194 9.363 0.163 1.00 0.00 C ATOM 453 CG1 VAL A 30 -0.463 8.322 1.066 1.00 0.00 C ATOM 454 CG2 VAL A 30 -0.923 10.178 -0.493 1.00 0.00 C ATOM 0 H VAL A 30 2.539 10.896 -0.444 1.00 0.00 H new ATOM 0 HA VAL A 30 0.552 10.749 1.747 1.00 0.00 H new ATOM 0 HB VAL A 30 0.800 8.870 -0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.127 7.693 0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.306 7.703 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.038 8.825 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.579 9.511 -1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.499 10.692 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.488 10.912 -1.171 1.00 0.00 H new ATOM 464 N ARG A 31 2.107 9.004 2.816 1.00 0.00 N ATOM 465 CA ARG A 31 3.145 8.257 3.506 1.00 0.00 C ATOM 466 C ARG A 31 2.554 6.963 4.045 1.00 0.00 C ATOM 467 O ARG A 31 1.548 6.959 4.755 1.00 0.00 O ATOM 468 CB ARG A 31 3.773 9.133 4.587 1.00 0.00 C ATOM 469 CG ARG A 31 5.046 8.478 5.125 1.00 0.00 C ATOM 470 CD ARG A 31 5.828 9.469 5.982 1.00 0.00 C ATOM 471 NE ARG A 31 6.395 10.548 5.159 1.00 0.00 N ATOM 472 CZ ARG A 31 5.909 11.791 5.086 1.00 0.00 C ATOM 473 NH1 ARG A 31 4.842 12.153 5.787 1.00 0.00 N ATOM 474 NH2 ARG A 31 6.504 12.682 4.299 1.00 0.00 N ATOM 0 H ARG A 31 1.252 9.133 3.357 1.00 0.00 H new ATOM 0 HA ARG A 31 3.949 7.981 2.823 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.006 10.116 4.178 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.063 9.286 5.400 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.789 7.599 5.716 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.665 8.135 4.296 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.172 9.893 6.742 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.629 8.948 6.506 1.00 0.00 H new ATOM 0 HE ARG A 31 7.221 10.331 4.602 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.378 11.478 6.395 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.486 13.106 5.718 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.325 12.415 3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.139 13.633 4.238 1.00 0.00 H new ATOM 488 N ILE A 32 3.213 5.864 3.683 1.00 0.00 N ATOM 489 CA ILE A 32 2.703 4.518 3.865 1.00 0.00 C ATOM 490 C ILE A 32 3.778 3.664 4.529 1.00 0.00 C ATOM 491 O ILE A 32 4.969 3.899 4.328 1.00 0.00 O ATOM 492 CB ILE A 32 2.341 3.954 2.479 1.00 0.00 C ATOM 493 CG1 ILE A 32 1.346 4.881 1.758 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.752 2.547 2.597 1.00 0.00 C ATOM 495 CD1 ILE A 32 1.190 4.517 0.283 1.00 0.00 C ATOM 0 H ILE A 32 4.135 5.891 3.247 1.00 0.00 H new ATOM 0 HA ILE A 32 1.818 4.516 4.501 1.00 0.00 H new ATOM 0 HB ILE A 32 3.258 3.898 1.893 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.375 4.824 2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.686 5.913 1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.505 2.172 1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.481 1.885 3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.849 2.580 3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.479 5.197 -0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.155 4.600 -0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.824 3.494 0.197 1.00 0.00 H new ATOM 507 N GLY A 33 3.355 2.678 5.317 1.00 0.00 N ATOM 508 CA GLY A 33 4.256 1.762 5.989 1.00 0.00 C ATOM 509 C GLY A 33 3.965 0.340 5.541 1.00 0.00 C ATOM 510 O GLY A 33 2.864 0.035 5.086 1.00 0.00 O ATOM 0 H GLY A 33 2.369 2.496 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.290 2.021 5.762 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.136 1.845 7.069 1.00 0.00 H new ATOM 514 N ILE A 34 4.967 -0.523 5.675 1.00 0.00 N ATOM 515 CA ILE A 34 4.885 -1.902 5.248 1.00 0.00 C ATOM 516 C ILE A 34 5.460 -2.756 6.364 1.00 0.00 C ATOM 517 O ILE A 34 6.376 -2.330 7.066 1.00 0.00 O ATOM 518 CB ILE A 34 5.658 -2.092 3.935 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.149 -1.108 2.874 1.00 0.00 C ATOM 520 CG2 ILE A 34 5.495 -3.527 3.428 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.045 -1.102 1.636 1.00 0.00 C ATOM 0 H ILE A 34 5.866 -0.275 6.089 1.00 0.00 H new ATOM 0 HA ILE A 34 3.853 -2.196 5.055 1.00 0.00 H new ATOM 0 HB ILE A 34 6.714 -1.899 4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.132 -1.376 2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.107 -0.105 3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.048 -3.649 2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.882 -4.222 4.173 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.439 -3.733 3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.653 -0.393 0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.056 -0.809 1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.066 -2.100 1.197 1.00 0.00 H new ATOM 533 N ASN A 35 4.921 -3.960 6.525 1.00 0.00 N ATOM 534 CA ASN A 35 5.322 -4.854 7.589 1.00 0.00 C ATOM 535 C ASN A 35 5.470 -6.254 7.011 1.00 0.00 C ATOM 536 O ASN A 35 4.496 -6.996 6.893 1.00 0.00 O ATOM 537 CB ASN A 35 4.286 -4.792 8.709 1.00 0.00 C ATOM 538 CG ASN A 35 4.696 -5.616 9.921 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.814 -6.117 9.999 1.00 0.00 O ATOM 540 ND2 ASN A 35 3.786 -5.762 10.880 1.00 0.00 N ATOM 0 H ASN A 35 4.194 -4.337 5.917 1.00 0.00 H new ATOM 0 HA ASN A 35 6.281 -4.562 8.016 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.141 -3.754 9.010 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.328 -5.152 8.335 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.007 -6.305 11.715 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.867 -5.331 10.781 1.00 0.00 H new ATOM 547 N ALA A 36 6.709 -6.597 6.652 1.00 0.00 N ATOM 548 CA ALA A 36 7.021 -7.860 6.005 1.00 0.00 C ATOM 549 C ALA A 36 8.336 -8.436 6.523 1.00 0.00 C ATOM 550 O ALA A 36 9.181 -7.699 7.032 1.00 0.00 O ATOM 551 CB ALA A 36 7.146 -7.609 4.501 1.00 0.00 C ATOM 0 H ALA A 36 7.522 -6.000 6.805 1.00 0.00 H new ATOM 0 HA ALA A 36 6.227 -8.575 6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.380 -8.545 3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.204 -7.215 4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.942 -6.888 4.317 1.00 0.00 H new ATOM 557 N PRO A 37 8.511 -9.758 6.394 1.00 0.00 N ATOM 558 CA PRO A 37 9.759 -10.443 6.680 1.00 0.00 C ATOM 559 C PRO A 37 10.827 -10.128 5.643 1.00 0.00 C ATOM 560 O PRO A 37 10.527 -9.699 4.532 1.00 0.00 O ATOM 561 CB PRO A 37 9.412 -11.929 6.606 1.00 0.00 C ATOM 562 CG PRO A 37 8.213 -11.993 5.664 1.00 0.00 C ATOM 563 CD PRO A 37 7.486 -10.690 5.961 1.00 0.00 C ATOM 0 HA PRO A 37 10.160 -10.137 7.646 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.249 -12.514 6.224 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.166 -12.329 7.590 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.521 -12.056 4.620 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.586 -12.862 5.865 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.969 -10.320 5.076 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.732 -10.830 6.735 1.00 0.00 H new ATOM 571 N LYS A 38 12.092 -10.345 6.016 1.00 0.00 N ATOM 572 CA LYS A 38 13.209 -10.221 5.090 1.00 0.00 C ATOM 573 C LYS A 38 13.174 -11.342 4.052 1.00 0.00 C ATOM 574 O LYS A 38 13.993 -11.370 3.135 1.00 0.00 O ATOM 575 CB LYS A 38 14.527 -10.229 5.870 1.00 0.00 C ATOM 576 CG LYS A 38 14.625 -9.037 6.826 1.00 0.00 C ATOM 577 CD LYS A 38 14.481 -7.711 6.081 1.00 0.00 C ATOM 578 CE LYS A 38 14.777 -6.543 7.014 1.00 0.00 C ATOM 579 NZ LYS A 38 16.178 -6.551 7.480 1.00 0.00 N ATOM 0 H LYS A 38 12.364 -10.610 6.963 1.00 0.00 H new ATOM 0 HA LYS A 38 13.128 -9.275 4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.610 -11.157 6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.364 -10.205 5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.849 -9.114 7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.583 -9.062 7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.163 -7.688 5.231 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.471 -7.619 5.681 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.572 -5.605 6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.108 -6.587 7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.432 -5.606 7.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.285 -7.247 8.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.805 -6.805 6.690 1.00 0.00 H new ATOM 593 N ASP A 39 12.221 -12.267 4.202 1.00 0.00 N ATOM 594 CA ASP A 39 11.937 -13.302 3.219 1.00 0.00 C ATOM 595 C ASP A 39 11.378 -12.681 1.937 1.00 0.00 C ATOM 596 O ASP A 39 11.263 -13.364 0.922 1.00 0.00 O ATOM 597 CB ASP A 39 10.915 -14.273 3.812 1.00 0.00 C ATOM 598 CG ASP A 39 11.546 -15.155 4.889 1.00 0.00 C ATOM 599 OD1 ASP A 39 12.165 -16.172 4.507 1.00 0.00 O ATOM 600 OD2 ASP A 39 11.407 -14.804 6.082 1.00 0.00 O ATOM 0 H ASP A 39 11.619 -12.313 5.024 1.00 0.00 H new ATOM 0 HA ASP A 39 12.857 -13.831 2.972 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.083 -13.713 4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.504 -14.900 3.021 1.00 0.00 H new ATOM 605 N VAL A 40 11.032 -11.391 1.983 1.00 0.00 N ATOM 606 CA VAL A 40 10.500 -10.660 0.842 1.00 0.00 C ATOM 607 C VAL A 40 11.111 -9.260 0.802 1.00 0.00 C ATOM 608 O VAL A 40 11.633 -8.770 1.809 1.00 0.00 O ATOM 609 CB VAL A 40 8.966 -10.593 0.904 1.00 0.00 C ATOM 610 CG1 VAL A 40 8.364 -11.982 1.129 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.489 -9.699 2.044 1.00 0.00 C ATOM 0 H VAL A 40 11.117 -10.823 2.826 1.00 0.00 H new ATOM 0 HA VAL A 40 10.768 -11.186 -0.075 1.00 0.00 H new ATOM 0 HB VAL A 40 8.639 -10.184 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.277 -11.906 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.652 -12.640 0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.734 -12.391 2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.399 -9.676 2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.855 -10.093 2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.872 -8.689 1.899 1.00 0.00 H new ATOM 621 N ALA A 41 11.050 -8.610 -0.358 1.00 0.00 N ATOM 622 CA ALA A 41 11.643 -7.297 -0.535 1.00 0.00 C ATOM 623 C ALA A 41 10.557 -6.234 -0.669 1.00 0.00 C ATOM 624 O ALA A 41 9.461 -6.532 -1.142 1.00 0.00 O ATOM 625 CB ALA A 41 12.517 -7.324 -1.787 1.00 0.00 C ATOM 0 H ALA A 41 10.592 -8.979 -1.191 1.00 0.00 H new ATOM 0 HA ALA A 41 12.250 -7.047 0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.971 -6.344 -1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.300 -8.072 -1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.904 -7.575 -2.653 1.00 0.00 H new ATOM 631 N VAL A 42 10.856 -4.999 -0.261 1.00 0.00 N ATOM 632 CA VAL A 42 9.911 -3.893 -0.391 1.00 0.00 C ATOM 633 C VAL A 42 10.669 -2.603 -0.672 1.00 0.00 C ATOM 634 O VAL A 42 11.609 -2.261 0.044 1.00 0.00 O ATOM 635 CB VAL A 42 9.058 -3.750 0.881 1.00 0.00 C ATOM 636 CG1 VAL A 42 8.225 -5.009 1.113 1.00 0.00 C ATOM 637 CG2 VAL A 42 9.885 -3.514 2.143 1.00 0.00 C ATOM 0 H VAL A 42 11.747 -4.741 0.163 1.00 0.00 H new ATOM 0 HA VAL A 42 9.239 -4.101 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 42 8.428 -2.877 0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.628 -4.889 2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.564 -5.170 0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.887 -5.867 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.220 -3.422 3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.562 -4.354 2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.464 -2.597 2.033 1.00 0.00 H new ATOM 647 N HIS A 43 10.264 -1.874 -1.716 1.00 0.00 N ATOM 648 CA HIS A 43 10.888 -0.603 -2.061 1.00 0.00 C ATOM 649 C HIS A 43 9.922 0.263 -2.856 1.00 0.00 C ATOM 650 O HIS A 43 8.901 -0.224 -3.342 1.00 0.00 O ATOM 651 CB HIS A 43 12.147 -0.817 -2.924 1.00 0.00 C ATOM 652 CG HIS A 43 12.985 -2.020 -2.583 1.00 0.00 C ATOM 653 ND1 HIS A 43 14.134 -2.001 -1.789 1.00 0.00 N ATOM 654 CD2 HIS A 43 12.756 -3.297 -3.011 1.00 0.00 C ATOM 655 CE1 HIS A 43 14.572 -3.271 -1.766 1.00 0.00 C ATOM 656 NE2 HIS A 43 13.766 -4.068 -2.490 1.00 0.00 N ATOM 0 H HIS A 43 9.503 -2.148 -2.337 1.00 0.00 H new ATOM 0 HA HIS A 43 11.160 -0.114 -1.126 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.839 -0.897 -3.967 1.00 0.00 H new ATOM 0 HB3 HIS A 43 12.773 0.072 -2.844 1.00 0.00 H new ATOM 0 HD1 HIS A 43 14.552 -1.194 -1.325 1.00 0.00 H new ATOM 0 HD2 HIS A 43 11.942 -3.634 -3.636 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.452 -3.606 -1.238 1.00 0.00 H new ATOM 664 N ARG A 44 10.242 1.551 -2.994 1.00 0.00 N ATOM 665 CA ARG A 44 9.521 2.406 -3.929 1.00 0.00 C ATOM 666 C ARG A 44 9.856 1.931 -5.339 1.00 0.00 C ATOM 667 O ARG A 44 10.886 1.291 -5.545 1.00 0.00 O ATOM 668 CB ARG A 44 9.896 3.878 -3.718 1.00 0.00 C ATOM 669 CG ARG A 44 11.407 4.104 -3.805 1.00 0.00 C ATOM 670 CD ARG A 44 11.755 5.581 -3.602 1.00 0.00 C ATOM 671 NE ARG A 44 11.319 6.407 -4.737 1.00 0.00 N ATOM 672 CZ ARG A 44 11.845 7.597 -5.044 1.00 0.00 C ATOM 673 NH1 ARG A 44 12.819 8.124 -4.306 1.00 0.00 N ATOM 674 NH2 ARG A 44 11.393 8.270 -6.097 1.00 0.00 N ATOM 0 H ARG A 44 10.987 2.017 -2.476 1.00 0.00 H new ATOM 0 HA ARG A 44 8.446 2.337 -3.766 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.394 4.491 -4.467 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.536 4.208 -2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 44 11.912 3.501 -3.051 1.00 0.00 H new ATOM 0 HG3 ARG A 44 11.772 3.771 -4.776 1.00 0.00 H new ATOM 0 HD2 ARG A 44 11.284 5.943 -2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.832 5.686 -3.469 1.00 0.00 H new ATOM 0 HE ARG A 44 10.568 6.050 -5.327 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.174 7.619 -3.494 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.211 9.033 -4.552 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.645 7.878 -6.670 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.794 9.178 -6.332 1.00 0.00 H new ATOM 688 N GLU A 45 8.996 2.234 -6.311 1.00 0.00 N ATOM 689 CA GLU A 45 9.189 1.763 -7.681 1.00 0.00 C ATOM 690 C GLU A 45 10.537 2.216 -8.251 1.00 0.00 C ATOM 691 O GLU A 45 11.038 1.612 -9.195 1.00 0.00 O ATOM 692 CB GLU A 45 8.014 2.237 -8.543 1.00 0.00 C ATOM 693 CG GLU A 45 7.988 1.492 -9.875 1.00 0.00 C ATOM 694 CD GLU A 45 6.848 1.972 -10.765 1.00 0.00 C ATOM 695 OE1 GLU A 45 6.927 3.130 -11.229 1.00 0.00 O ATOM 696 OE2 GLU A 45 5.904 1.182 -10.978 1.00 0.00 O ATOM 0 H GLU A 45 8.160 2.803 -6.175 1.00 0.00 H new ATOM 0 HA GLU A 45 9.211 0.673 -7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.077 2.074 -8.011 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.097 3.309 -8.722 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.938 1.635 -10.391 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.882 0.423 -9.692 1.00 0.00 H new ATOM 703 N GLU A 46 11.138 3.272 -7.695 1.00 0.00 N ATOM 704 CA GLU A 46 12.431 3.751 -8.162 1.00 0.00 C ATOM 705 C GLU A 46 13.542 2.761 -7.809 1.00 0.00 C ATOM 706 O GLU A 46 14.308 2.364 -8.685 1.00 0.00 O ATOM 707 CB GLU A 46 12.708 5.114 -7.526 1.00 0.00 C ATOM 708 CG GLU A 46 13.943 5.789 -8.124 1.00 0.00 C ATOM 709 CD GLU A 46 13.760 6.110 -9.608 1.00 0.00 C ATOM 710 OE1 GLU A 46 12.719 6.713 -9.948 1.00 0.00 O ATOM 711 OE2 GLU A 46 14.670 5.751 -10.390 1.00 0.00 O ATOM 0 H GLU A 46 10.745 3.808 -6.921 1.00 0.00 H new ATOM 0 HA GLU A 46 12.409 3.847 -9.248 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.841 5.760 -7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.847 4.991 -6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.154 6.708 -7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.808 5.138 -7.998 1.00 0.00 H new ATOM 718 N ILE A 47 13.640 2.352 -6.540 1.00 0.00 N ATOM 719 CA ILE A 47 14.673 1.416 -6.116 1.00 0.00 C ATOM 720 C ILE A 47 14.354 0.052 -6.703 1.00 0.00 C ATOM 721 O ILE A 47 15.256 -0.729 -6.994 1.00 0.00 O ATOM 722 CB ILE A 47 14.714 1.334 -4.579 1.00 0.00 C ATOM 723 CG1 ILE A 47 15.552 2.451 -3.953 1.00 0.00 C ATOM 724 CG2 ILE A 47 15.353 0.026 -4.109 1.00 0.00 C ATOM 725 CD1 ILE A 47 15.031 3.841 -4.309 1.00 0.00 C ATOM 0 H ILE A 47 13.015 2.657 -5.794 1.00 0.00 H new ATOM 0 HA ILE A 47 15.648 1.754 -6.467 1.00 0.00 H new ATOM 0 HB ILE A 47 13.673 1.414 -4.266 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.556 2.334 -2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.585 2.357 -4.287 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.367 -0.001 -3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 47 14.774 -0.818 -4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.374 -0.037 -4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.661 4.597 -3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.052 3.971 -5.391 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.007 3.949 -3.951 1.00 0.00 H new ATOM 737 N TYR A 48 13.058 -0.236 -6.878 1.00 0.00 N ATOM 738 CA TYR A 48 12.599 -1.522 -7.365 1.00 0.00 C ATOM 739 C TYR A 48 13.217 -1.874 -8.718 1.00 0.00 C ATOM 740 O TYR A 48 13.447 -3.046 -9.015 1.00 0.00 O ATOM 741 CB TYR A 48 11.088 -1.497 -7.488 1.00 0.00 C ATOM 742 CG TYR A 48 10.571 -2.824 -7.976 1.00 0.00 C ATOM 743 CD1 TYR A 48 10.432 -3.896 -7.083 1.00 0.00 C ATOM 744 CD2 TYR A 48 10.248 -2.980 -9.328 1.00 0.00 C ATOM 745 CE1 TYR A 48 9.975 -5.137 -7.547 1.00 0.00 C ATOM 746 CE2 TYR A 48 9.807 -4.220 -9.801 1.00 0.00 C ATOM 747 CZ TYR A 48 9.657 -5.304 -8.911 1.00 0.00 C ATOM 748 OH TYR A 48 9.205 -6.505 -9.371 1.00 0.00 O ATOM 0 H TYR A 48 12.305 0.424 -6.683 1.00 0.00 H new ATOM 0 HA TYR A 48 12.911 -2.284 -6.651 1.00 0.00 H new ATOM 0 HB2 TYR A 48 10.643 -1.261 -6.521 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.787 -0.708 -8.178 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.677 -3.766 -6.039 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.339 -2.144 -10.006 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.866 -5.964 -6.861 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.581 -4.348 -10.849 1.00 0.00 H new ATOM 0 HH TYR A 48 9.033 -6.443 -10.334 1.00 0.00 H new ATOM 1605 N MET C 1 8.682 -2.253 10.638 1.00 0.00 N ATOM 1606 CA MET C 1 7.999 -1.449 9.604 1.00 0.00 C ATOM 1607 C MET C 1 9.015 -0.848 8.644 1.00 0.00 C ATOM 1608 O MET C 1 10.138 -0.547 9.042 1.00 0.00 O ATOM 1609 CB MET C 1 7.199 -0.320 10.257 1.00 0.00 C ATOM 1610 CG MET C 1 6.222 0.358 9.295 1.00 0.00 C ATOM 1611 SD MET C 1 4.652 -0.505 9.111 1.00 0.00 S ATOM 1612 CE MET C 1 3.948 0.052 10.679 1.00 0.00 C ATOM 0 H1 MET C 1 8.315 -1.996 11.576 1.00 0.00 H new ATOM 0 H2 MET C 1 8.508 -3.263 10.463 1.00 0.00 H new ATOM 0 H3 MET C 1 9.705 -2.067 10.603 1.00 0.00 H new ATOM 0 HA MET C 1 7.324 -2.103 9.053 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.645 -0.720 11.106 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.890 0.426 10.650 1.00 0.00 H new ATOM 0 HG2 MET C 1 6.028 1.372 9.646 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.694 0.444 8.316 1.00 0.00 H new ATOM 0 HE1 MET C 1 3.671 -0.813 11.281 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.685 0.648 11.217 1.00 0.00 H new ATOM 0 HE3 MET C 1 3.062 0.657 10.486 1.00 0.00 H new ATOM 1624 N LEU C 2 8.621 -0.667 7.382 1.00 0.00 N ATOM 1625 CA LEU C 2 9.423 0.004 6.375 1.00 0.00 C ATOM 1626 C LEU C 2 8.527 1.049 5.722 1.00 0.00 C ATOM 1627 O LEU C 2 7.476 0.713 5.179 1.00 0.00 O ATOM 1628 CB LEU C 2 9.962 -1.058 5.413 1.00 0.00 C ATOM 1629 CG LEU C 2 10.886 -0.531 4.308 1.00 0.00 C ATOM 1630 CD1 LEU C 2 10.089 0.052 3.147 1.00 0.00 C ATOM 1631 CD2 LEU C 2 11.865 0.519 4.829 1.00 0.00 C ATOM 0 H LEU C 2 7.719 -0.991 7.032 1.00 0.00 H new ATOM 0 HA LEU C 2 10.294 0.523 6.776 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.504 -1.807 5.991 1.00 0.00 H new ATOM 0 HB3 LEU C 2 9.117 -1.565 4.947 1.00 0.00 H new ATOM 0 HG LEU C 2 11.458 -1.389 3.954 1.00 0.00 H new ATOM 0 HD11 LEU C 2 10.774 0.416 2.382 1.00 0.00 H new ATOM 0 HD12 LEU C 2 9.448 -0.720 2.722 1.00 0.00 H new ATOM 0 HD13 LEU C 2 9.474 0.877 3.506 1.00 0.00 H new ATOM 0 HD21 LEU C 2 12.499 0.863 4.012 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.310 1.363 5.238 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.486 0.081 5.610 1.00 0.00 H new ATOM 1643 N ILE C 3 8.934 2.318 5.775 1.00 0.00 N ATOM 1644 CA ILE C 3 8.101 3.433 5.354 1.00 0.00 C ATOM 1645 C ILE C 3 8.629 4.036 4.062 1.00 0.00 C ATOM 1646 O ILE C 3 9.831 4.030 3.798 1.00 0.00 O ATOM 1647 CB ILE C 3 8.042 4.504 6.462 1.00 0.00 C ATOM 1648 CG1 ILE C 3 7.233 4.015 7.663 1.00 0.00 C ATOM 1649 CG2 ILE C 3 7.358 5.781 5.963 1.00 0.00 C ATOM 1650 CD1 ILE C 3 8.051 3.162 8.626 1.00 0.00 C ATOM 0 H ILE C 3 9.855 2.597 6.113 1.00 0.00 H new ATOM 0 HA ILE C 3 7.092 3.062 5.173 1.00 0.00 H new ATOM 0 HB ILE C 3 9.075 4.703 6.747 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.833 4.876 8.199 1.00 0.00 H new ATOM 0 HG13 ILE C 3 6.380 3.436 7.308 1.00 0.00 H new ATOM 0 HG21 ILE C 3 7.331 6.517 6.766 1.00 0.00 H new ATOM 0 HG22 ILE C 3 7.915 6.186 5.118 1.00 0.00 H new ATOM 0 HG23 ILE C 3 6.340 5.550 5.649 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.421 2.846 9.457 1.00 0.00 H new ATOM 0 HD12 ILE C 3 8.429 2.284 8.103 1.00 0.00 H new ATOM 0 HD13 ILE C 3 8.889 3.746 9.008 1.00 0.00 H new ATOM 1662 N LEU C 4 7.696 4.555 3.266 1.00 0.00 N ATOM 1663 CA LEU C 4 7.953 5.195 1.992 1.00 0.00 C ATOM 1664 C LEU C 4 6.987 6.364 1.827 1.00 0.00 C ATOM 1665 O LEU C 4 5.922 6.384 2.444 1.00 0.00 O ATOM 1666 CB LEU C 4 7.744 4.186 0.860 1.00 0.00 C ATOM 1667 CG LEU C 4 8.783 3.065 0.866 1.00 0.00 C ATOM 1668 CD1 LEU C 4 8.409 2.035 -0.192 1.00 0.00 C ATOM 1669 CD2 LEU C 4 10.170 3.603 0.532 1.00 0.00 C ATOM 0 H LEU C 4 6.705 4.537 3.506 1.00 0.00 H new ATOM 0 HA LEU C 4 8.980 5.558 1.958 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.748 3.752 0.946 1.00 0.00 H new ATOM 0 HB3 LEU C 4 7.784 4.707 -0.097 1.00 0.00 H new ATOM 0 HG LEU C 4 8.800 2.620 1.861 1.00 0.00 H new ATOM 0 HD11 LEU C 4 9.146 1.232 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU C 4 7.425 1.624 0.032 1.00 0.00 H new ATOM 0 HD13 LEU C 4 8.389 2.511 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU C 4 10.890 2.785 0.543 1.00 0.00 H new ATOM 0 HD22 LEU C 4 10.155 4.059 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU C 4 10.458 4.350 1.272 1.00 0.00 H new ATOM 1681 N THR C 5 7.364 7.336 0.998 1.00 0.00 N ATOM 1682 CA THR C 5 6.536 8.502 0.745 1.00 0.00 C ATOM 1683 C THR C 5 6.391 8.669 -0.759 1.00 0.00 C ATOM 1684 O THR C 5 7.372 8.583 -1.495 1.00 0.00 O ATOM 1685 CB THR C 5 7.167 9.745 1.379 1.00 0.00 C ATOM 1686 OG1 THR C 5 7.469 9.490 2.733 1.00 0.00 O ATOM 1687 CG2 THR C 5 6.217 10.939 1.335 1.00 0.00 C ATOM 0 H THR C 5 8.247 7.333 0.488 1.00 0.00 H new ATOM 0 HA THR C 5 5.550 8.370 1.191 1.00 0.00 H new ATOM 0 HB THR C 5 8.068 9.976 0.811 1.00 0.00 H new ATOM 0 HG1 THR C 5 8.334 9.892 2.957 1.00 0.00 H new ATOM 0 HG21 THR C 5 6.697 11.803 1.793 1.00 0.00 H new ATOM 0 HG22 THR C 5 5.969 11.169 0.299 1.00 0.00 H new ATOM 0 HG23 THR C 5 5.305 10.699 1.881 1.00 0.00 H new ATOM 1695 N ARG C 6 5.160 8.904 -1.204 1.00 0.00 N ATOM 1696 CA ARG C 6 4.799 8.985 -2.612 1.00 0.00 C ATOM 1697 C ARG C 6 3.848 10.156 -2.813 1.00 0.00 C ATOM 1698 O ARG C 6 3.561 10.886 -1.867 1.00 0.00 O ATOM 1699 CB ARG C 6 4.109 7.675 -3.027 1.00 0.00 C ATOM 1700 CG ARG C 6 5.036 6.460 -3.008 1.00 0.00 C ATOM 1701 CD ARG C 6 5.829 6.291 -4.304 1.00 0.00 C ATOM 1702 NE ARG C 6 6.584 7.496 -4.654 1.00 0.00 N ATOM 1703 CZ ARG C 6 7.845 7.754 -4.303 1.00 0.00 C ATOM 1704 NH1 ARG C 6 8.539 6.898 -3.557 1.00 0.00 N ATOM 1705 NH2 ARG C 6 8.405 8.885 -4.713 1.00 0.00 N ATOM 0 H ARG C 6 4.367 9.047 -0.578 1.00 0.00 H new ATOM 0 HA ARG C 6 5.690 9.134 -3.222 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.268 7.490 -2.359 1.00 0.00 H new ATOM 0 HB3 ARG C 6 3.699 7.793 -4.030 1.00 0.00 H new ATOM 0 HG2 ARG C 6 5.731 6.554 -2.173 1.00 0.00 H new ATOM 0 HG3 ARG C 6 4.444 5.562 -2.831 1.00 0.00 H new ATOM 0 HD2 ARG C 6 6.516 5.452 -4.200 1.00 0.00 H new ATOM 0 HD3 ARG C 6 5.145 6.044 -5.116 1.00 0.00 H new ATOM 0 HE ARG C 6 6.104 8.200 -5.215 1.00 0.00 H new ATOM 0 HH11 ARG C 6 8.108 6.028 -3.244 1.00 0.00 H new ATOM 0 HH12 ARG C 6 9.502 7.112 -3.298 1.00 0.00 H new ATOM 0 HH21 ARG C 6 7.872 9.539 -5.286 1.00 0.00 H new ATOM 0 HH22 ARG C 6 9.368 9.100 -4.455 1.00 0.00 H new ATOM 1719 N LYS C 7 3.356 10.334 -4.036 1.00 0.00 N ATOM 1720 CA LYS C 7 2.318 11.311 -4.333 1.00 0.00 C ATOM 1721 C LYS C 7 1.308 10.692 -5.276 1.00 0.00 C ATOM 1722 O LYS C 7 1.572 9.634 -5.849 1.00 0.00 O ATOM 1723 CB LYS C 7 2.895 12.606 -4.906 1.00 0.00 C ATOM 1724 CG LYS C 7 3.406 12.470 -6.338 1.00 0.00 C ATOM 1725 CD LYS C 7 3.825 13.845 -6.846 1.00 0.00 C ATOM 1726 CE LYS C 7 4.446 13.720 -8.238 1.00 0.00 C ATOM 1727 NZ LYS C 7 4.873 15.035 -8.750 1.00 0.00 N ATOM 0 H LYS C 7 3.668 9.803 -4.849 1.00 0.00 H new ATOM 0 HA LYS C 7 1.822 11.584 -3.402 1.00 0.00 H new ATOM 0 HB2 LYS C 7 2.128 13.380 -4.875 1.00 0.00 H new ATOM 0 HB3 LYS C 7 3.713 12.942 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS C 7 4.251 11.782 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.628 12.053 -6.978 1.00 0.00 H new ATOM 0 HD2 LYS C 7 2.960 14.508 -6.882 1.00 0.00 H new ATOM 0 HD3 LYS C 7 4.541 14.294 -6.158 1.00 0.00 H new ATOM 0 HE2 LYS C 7 5.302 13.047 -8.198 1.00 0.00 H new ATOM 0 HE3 LYS C 7 3.723 13.277 -8.923 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 5.291 14.920 -9.696 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 4.050 15.668 -8.809 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 5.580 15.445 -8.107 1.00 0.00 H new ATOM 1741 N VAL C 8 0.158 11.339 -5.448 1.00 0.00 N ATOM 1742 CA VAL C 8 -0.879 10.733 -6.270 1.00 0.00 C ATOM 1743 C VAL C 8 -0.385 10.502 -7.693 1.00 0.00 C ATOM 1744 O VAL C 8 -0.008 11.436 -8.400 1.00 0.00 O ATOM 1745 CB VAL C 8 -2.196 11.497 -6.203 1.00 0.00 C ATOM 1746 CG1 VAL C 8 -2.571 11.619 -4.730 1.00 0.00 C ATOM 1747 CG2 VAL C 8 -2.187 12.886 -6.832 1.00 0.00 C ATOM 0 H VAL C 8 -0.073 12.248 -5.046 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.100 9.750 -5.853 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.918 10.931 -6.792 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -3.512 12.162 -4.638 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -2.683 10.624 -4.299 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -1.787 12.159 -4.198 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -3.173 13.339 -6.728 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.447 13.508 -6.329 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.935 12.805 -7.889 1.00 0.00 H new ATOM 1757 N GLY C 9 -0.393 9.232 -8.098 1.00 0.00 N ATOM 1758 CA GLY C 9 0.026 8.794 -9.422 1.00 0.00 C ATOM 1759 C GLY C 9 1.302 7.948 -9.386 1.00 0.00 C ATOM 1760 O GLY C 9 1.648 7.333 -10.392 1.00 0.00 O ATOM 0 H GLY C 9 -0.698 8.465 -7.499 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -0.776 8.215 -9.880 1.00 0.00 H new ATOM 0 HA3 GLY C 9 0.191 9.667 -10.054 1.00 0.00 H new ATOM 1764 N GLU C 10 2.003 7.905 -8.245 1.00 0.00 N ATOM 1765 CA GLU C 10 3.250 7.155 -8.119 1.00 0.00 C ATOM 1766 C GLU C 10 3.000 5.702 -7.685 1.00 0.00 C ATOM 1767 O GLU C 10 1.855 5.303 -7.471 1.00 0.00 O ATOM 1768 CB GLU C 10 4.197 7.860 -7.147 1.00 0.00 C ATOM 1769 CG GLU C 10 4.480 9.298 -7.589 1.00 0.00 C ATOM 1770 CD GLU C 10 5.772 9.812 -6.962 1.00 0.00 C ATOM 1771 OE1 GLU C 10 5.817 9.865 -5.714 1.00 0.00 O ATOM 1772 OE2 GLU C 10 6.699 10.146 -7.730 1.00 0.00 O ATOM 0 H GLU C 10 1.720 8.387 -7.392 1.00 0.00 H new ATOM 0 HA GLU C 10 3.719 7.121 -9.102 1.00 0.00 H new ATOM 0 HB2 GLU C 10 3.760 7.864 -6.149 1.00 0.00 H new ATOM 0 HB3 GLU C 10 5.134 7.306 -7.083 1.00 0.00 H new ATOM 0 HG2 GLU C 10 4.555 9.341 -8.676 1.00 0.00 H new ATOM 0 HG3 GLU C 10 3.649 9.942 -7.301 1.00 0.00 H new ATOM 1779 N SER C 11 4.072 4.906 -7.558 1.00 0.00 N ATOM 1780 CA SER C 11 3.970 3.472 -7.299 1.00 0.00 C ATOM 1781 C SER C 11 4.964 2.981 -6.250 1.00 0.00 C ATOM 1782 O SER C 11 5.943 3.651 -5.925 1.00 0.00 O ATOM 1783 CB SER C 11 4.227 2.729 -8.610 1.00 0.00 C ATOM 1784 OG SER C 11 3.204 3.015 -9.540 1.00 0.00 O ATOM 0 H SER C 11 5.032 5.243 -7.633 1.00 0.00 H new ATOM 0 HA SER C 11 2.971 3.277 -6.909 1.00 0.00 H new ATOM 0 HB2 SER C 11 5.194 3.022 -9.020 1.00 0.00 H new ATOM 0 HB3 SER C 11 4.272 1.656 -8.426 1.00 0.00 H new ATOM 0 HG SER C 11 3.379 2.536 -10.377 1.00 0.00 H new ATOM 1790 N ILE C 12 4.691 1.783 -5.723 1.00 0.00 N ATOM 1791 CA ILE C 12 5.483 1.081 -4.715 1.00 0.00 C ATOM 1792 C ILE C 12 5.464 -0.406 -5.073 1.00 0.00 C ATOM 1793 O ILE C 12 4.591 -0.845 -5.822 1.00 0.00 O ATOM 1794 CB ILE C 12 4.904 1.345 -3.313 1.00 0.00 C ATOM 1795 CG1 ILE C 12 5.033 2.836 -2.977 1.00 0.00 C ATOM 1796 CG2 ILE C 12 5.591 0.482 -2.246 1.00 0.00 C ATOM 1797 CD1 ILE C 12 4.628 3.139 -1.537 1.00 0.00 C ATOM 0 H ILE C 12 3.868 1.251 -6.005 1.00 0.00 H new ATOM 0 HA ILE C 12 6.514 1.436 -4.700 1.00 0.00 H new ATOM 0 HB ILE C 12 3.850 1.068 -3.317 1.00 0.00 H new ATOM 0 HG12 ILE C 12 6.063 3.155 -3.138 1.00 0.00 H new ATOM 0 HG13 ILE C 12 4.409 3.416 -3.658 1.00 0.00 H new ATOM 0 HG21 ILE C 12 5.156 0.696 -1.270 1.00 0.00 H new ATOM 0 HG22 ILE C 12 5.449 -0.572 -2.484 1.00 0.00 H new ATOM 0 HG23 ILE C 12 6.657 0.709 -2.226 1.00 0.00 H new ATOM 0 HD11 ILE C 12 4.736 4.207 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE C 12 3.590 2.846 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE C 12 5.269 2.581 -0.854 1.00 0.00 H new ATOM 1809 N ASN C 13 6.411 -1.189 -4.552 1.00 0.00 N ATOM 1810 CA ASN C 13 6.526 -2.593 -4.926 1.00 0.00 C ATOM 1811 C ASN C 13 6.828 -3.493 -3.731 1.00 0.00 C ATOM 1812 O ASN C 13 7.415 -3.060 -2.737 1.00 0.00 O ATOM 1813 CB ASN C 13 7.624 -2.747 -5.982 1.00 0.00 C ATOM 1814 CG ASN C 13 7.254 -2.066 -7.290 1.00 0.00 C ATOM 1815 OD1 ASN C 13 7.381 -0.852 -7.419 1.00 0.00 O ATOM 1816 ND2 ASN C 13 6.790 -2.839 -8.266 1.00 0.00 N ATOM 0 H ASN C 13 7.104 -0.873 -3.874 1.00 0.00 H new ATOM 0 HA ASN C 13 5.563 -2.907 -5.329 1.00 0.00 H new ATOM 0 HB2 ASN C 13 8.554 -2.323 -5.603 1.00 0.00 H new ATOM 0 HB3 ASN C 13 7.807 -3.806 -6.163 1.00 0.00 H new ATOM 0 HD21 ASN C 13 6.525 -2.427 -9.161 1.00 0.00 H new ATOM 0 HD22 ASN C 13 6.699 -3.844 -8.121 1.00 0.00 H new ATOM 1823 N ILE C 14 6.416 -4.762 -3.848 1.00 0.00 N ATOM 1824 CA ILE C 14 6.581 -5.782 -2.819 1.00 0.00 C ATOM 1825 C ILE C 14 6.900 -7.114 -3.493 1.00 0.00 C ATOM 1826 O ILE C 14 6.285 -7.468 -4.498 1.00 0.00 O ATOM 1827 CB ILE C 14 5.283 -5.911 -2.005 1.00 0.00 C ATOM 1828 CG1 ILE C 14 4.920 -4.568 -1.359 1.00 0.00 C ATOM 1829 CG2 ILE C 14 5.426 -7.009 -0.942 1.00 0.00 C ATOM 1830 CD1 ILE C 14 3.602 -4.634 -0.589 1.00 0.00 C ATOM 0 H ILE C 14 5.948 -5.111 -4.684 1.00 0.00 H new ATOM 0 HA ILE C 14 7.394 -5.503 -2.148 1.00 0.00 H new ATOM 0 HB ILE C 14 4.474 -6.193 -2.679 1.00 0.00 H new ATOM 0 HG12 ILE C 14 5.719 -4.265 -0.682 1.00 0.00 H new ATOM 0 HG13 ILE C 14 4.849 -3.803 -2.132 1.00 0.00 H new ATOM 0 HG21 ILE C 14 4.499 -7.088 -0.374 1.00 0.00 H new ATOM 0 HG22 ILE C 14 5.636 -7.961 -1.429 1.00 0.00 H new ATOM 0 HG23 ILE C 14 6.245 -6.758 -0.267 1.00 0.00 H new ATOM 0 HD11 ILE C 14 3.388 -3.660 -0.150 1.00 0.00 H new ATOM 0 HD12 ILE C 14 2.797 -4.910 -1.269 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.680 -5.379 0.202 1.00 0.00 H new ATOM 1842 N GLY C 15 7.861 -7.853 -2.935 1.00 0.00 N ATOM 1843 CA GLY C 15 8.279 -9.132 -3.483 1.00 0.00 C ATOM 1844 C GLY C 15 8.651 -8.993 -4.956 1.00 0.00 C ATOM 1845 O GLY C 15 9.181 -7.966 -5.380 1.00 0.00 O ATOM 0 H GLY C 15 8.366 -7.577 -2.093 1.00 0.00 H new ATOM 0 HA2 GLY C 15 9.133 -9.512 -2.922 1.00 0.00 H new ATOM 0 HA3 GLY C 15 7.475 -9.860 -3.373 1.00 0.00 H new ATOM 1849 N ASP C 16 8.365 -10.038 -5.732 1.00 0.00 N ATOM 1850 CA ASP C 16 8.587 -10.059 -7.172 1.00 0.00 C ATOM 1851 C ASP C 16 7.283 -10.395 -7.903 1.00 0.00 C ATOM 1852 O ASP C 16 7.302 -10.752 -9.078 1.00 0.00 O ATOM 1853 CB ASP C 16 9.737 -11.009 -7.518 1.00 0.00 C ATOM 1854 CG ASP C 16 9.414 -12.464 -7.178 1.00 0.00 C ATOM 1855 OD1 ASP C 16 9.333 -12.772 -5.969 1.00 0.00 O ATOM 1856 OD2 ASP C 16 9.259 -13.260 -8.132 1.00 0.00 O ATOM 0 H ASP C 16 7.967 -10.905 -5.370 1.00 0.00 H new ATOM 0 HA ASP C 16 8.890 -9.069 -7.514 1.00 0.00 H new ATOM 0 HB2 ASP C 16 9.963 -10.929 -8.581 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.633 -10.703 -6.978 1.00 0.00 H new ATOM 1861 N ASP C 17 6.151 -10.281 -7.196 1.00 0.00 N ATOM 1862 CA ASP C 17 4.835 -10.605 -7.729 1.00 0.00 C ATOM 1863 C ASP C 17 3.784 -9.561 -7.353 1.00 0.00 C ATOM 1864 O ASP C 17 2.624 -9.734 -7.720 1.00 0.00 O ATOM 1865 CB ASP C 17 4.392 -11.972 -7.203 1.00 0.00 C ATOM 1866 CG ASP C 17 5.313 -13.094 -7.672 1.00 0.00 C ATOM 1867 OD1 ASP C 17 5.270 -13.412 -8.882 1.00 0.00 O ATOM 1868 OD2 ASP C 17 6.057 -13.630 -6.818 1.00 0.00 O ATOM 0 H ASP C 17 6.130 -9.957 -6.229 1.00 0.00 H new ATOM 0 HA ASP C 17 4.919 -10.619 -8.816 1.00 0.00 H new ATOM 0 HB2 ASP C 17 4.372 -11.952 -6.113 1.00 0.00 H new ATOM 0 HB3 ASP C 17 3.374 -12.176 -7.536 1.00 0.00 H new ATOM 1873 N ILE C 18 4.147 -8.489 -6.641 1.00 0.00 N ATOM 1874 CA ILE C 18 3.152 -7.511 -6.217 1.00 0.00 C ATOM 1875 C ILE C 18 3.634 -6.086 -6.478 1.00 0.00 C ATOM 1876 O ILE C 18 4.823 -5.781 -6.387 1.00 0.00 O ATOM 1877 CB ILE C 18 2.805 -7.694 -4.729 1.00 0.00 C ATOM 1878 CG1 ILE C 18 2.334 -9.121 -4.408 1.00 0.00 C ATOM 1879 CG2 ILE C 18 1.686 -6.728 -4.328 1.00 0.00 C ATOM 1880 CD1 ILE C 18 3.506 -9.980 -3.932 1.00 0.00 C ATOM 0 H ILE C 18 5.104 -8.283 -6.353 1.00 0.00 H new ATOM 0 HA ILE C 18 2.251 -7.679 -6.806 1.00 0.00 H new ATOM 0 HB ILE C 18 3.719 -7.492 -4.170 1.00 0.00 H new ATOM 0 HG12 ILE C 18 1.562 -9.091 -3.639 1.00 0.00 H new ATOM 0 HG13 ILE C 18 1.884 -9.569 -5.294 1.00 0.00 H new ATOM 0 HG21 ILE C 18 1.448 -6.865 -3.273 1.00 0.00 H new ATOM 0 HG22 ILE C 18 2.014 -5.702 -4.496 1.00 0.00 H new ATOM 0 HG23 ILE C 18 0.799 -6.928 -4.929 1.00 0.00 H new ATOM 0 HD11 ILE C 18 3.152 -10.987 -3.710 1.00 0.00 H new ATOM 0 HD12 ILE C 18 4.264 -10.026 -4.714 1.00 0.00 H new ATOM 0 HD13 ILE C 18 3.938 -9.540 -3.033 1.00 0.00 H new ATOM 1892 N THR C 19 2.677 -5.214 -6.806 1.00 0.00 N ATOM 1893 CA THR C 19 2.910 -3.796 -7.020 1.00 0.00 C ATOM 1894 C THR C 19 1.739 -3.024 -6.415 1.00 0.00 C ATOM 1895 O THR C 19 0.645 -3.569 -6.273 1.00 0.00 O ATOM 1896 CB THR C 19 3.051 -3.519 -8.522 1.00 0.00 C ATOM 1897 OG1 THR C 19 4.093 -4.309 -9.058 1.00 0.00 O ATOM 1898 CG2 THR C 19 3.354 -2.052 -8.816 1.00 0.00 C ATOM 0 H THR C 19 1.702 -5.486 -6.931 1.00 0.00 H new ATOM 0 HA THR C 19 3.834 -3.475 -6.538 1.00 0.00 H new ATOM 0 HB THR C 19 2.096 -3.770 -8.983 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.179 -4.130 -10.018 1.00 0.00 H new ATOM 0 HG21 THR C 19 3.444 -1.908 -9.893 1.00 0.00 H new ATOM 0 HG22 THR C 19 2.545 -1.430 -8.433 1.00 0.00 H new ATOM 0 HG23 THR C 19 4.289 -1.770 -8.332 1.00 0.00 H new ATOM 1906 N ILE C 20 1.965 -1.759 -6.059 1.00 0.00 N ATOM 1907 CA ILE C 20 0.969 -0.907 -5.422 1.00 0.00 C ATOM 1908 C ILE C 20 0.989 0.452 -6.110 1.00 0.00 C ATOM 1909 O ILE C 20 2.034 0.892 -6.590 1.00 0.00 O ATOM 1910 CB ILE C 20 1.322 -0.758 -3.931 1.00 0.00 C ATOM 1911 CG1 ILE C 20 1.386 -2.105 -3.200 1.00 0.00 C ATOM 1912 CG2 ILE C 20 0.331 0.174 -3.224 1.00 0.00 C ATOM 1913 CD1 ILE C 20 0.022 -2.786 -3.078 1.00 0.00 C ATOM 0 H ILE C 20 2.860 -1.293 -6.209 1.00 0.00 H new ATOM 0 HA ILE C 20 -0.027 -1.342 -5.508 1.00 0.00 H new ATOM 0 HB ILE C 20 2.319 -0.319 -3.894 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.070 -2.767 -3.730 1.00 0.00 H new ATOM 0 HG13 ILE C 20 1.799 -1.952 -2.203 1.00 0.00 H new ATOM 0 HG21 ILE C 20 0.602 0.263 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.361 1.159 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.676 -0.236 -3.306 1.00 0.00 H new ATOM 0 HD11 ILE C 20 0.134 -3.734 -2.552 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -0.658 -2.141 -2.522 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -0.383 -2.969 -4.073 1.00 0.00 H new ATOM 1925 N THR C 21 -0.166 1.126 -6.162 1.00 0.00 N ATOM 1926 CA THR C 21 -0.281 2.418 -6.824 1.00 0.00 C ATOM 1927 C THR C 21 -1.240 3.317 -6.053 1.00 0.00 C ATOM 1928 O THR C 21 -2.288 2.866 -5.601 1.00 0.00 O ATOM 1929 CB THR C 21 -0.809 2.213 -8.252 1.00 0.00 C ATOM 1930 OG1 THR C 21 -0.065 1.223 -8.926 1.00 0.00 O ATOM 1931 CG2 THR C 21 -0.708 3.513 -9.050 1.00 0.00 C ATOM 0 H THR C 21 -1.036 0.790 -5.749 1.00 0.00 H new ATOM 0 HA THR C 21 0.701 2.891 -6.858 1.00 0.00 H new ATOM 0 HB THR C 21 -1.850 1.900 -8.174 1.00 0.00 H new ATOM 0 HG1 THR C 21 -0.419 1.108 -9.832 1.00 0.00 H new ATOM 0 HG21 THR C 21 -1.086 3.351 -10.059 1.00 0.00 H new ATOM 0 HG22 THR C 21 -1.300 4.287 -8.561 1.00 0.00 H new ATOM 0 HG23 THR C 21 0.334 3.830 -9.099 1.00 0.00 H new ATOM 1939 N ILE C 22 -0.870 4.589 -5.904 1.00 0.00 N ATOM 1940 CA ILE C 22 -1.667 5.583 -5.200 1.00 0.00 C ATOM 1941 C ILE C 22 -2.425 6.404 -6.242 1.00 0.00 C ATOM 1942 O ILE C 22 -1.921 7.405 -6.743 1.00 0.00 O ATOM 1943 CB ILE C 22 -0.763 6.418 -4.269 1.00 0.00 C ATOM 1944 CG1 ILE C 22 -1.446 7.676 -3.722 1.00 0.00 C ATOM 1945 CG2 ILE C 22 0.530 6.857 -4.961 1.00 0.00 C ATOM 1946 CD1 ILE C 22 -2.761 7.352 -3.032 1.00 0.00 C ATOM 0 H ILE C 22 0.005 4.959 -6.276 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.408 5.123 -4.546 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.541 5.746 -3.440 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -0.779 8.174 -3.018 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -1.627 8.375 -4.538 1.00 0.00 H new ATOM 0 HG21 ILE C 22 1.134 7.442 -4.267 1.00 0.00 H new ATOM 0 HG22 ILE C 22 1.090 5.977 -5.277 1.00 0.00 H new ATOM 0 HG23 ILE C 22 0.288 7.465 -5.832 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -3.212 8.271 -2.659 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.438 6.878 -3.743 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.577 6.674 -2.199 1.00 0.00 H new ATOM 1958 N LEU C 23 -3.650 5.981 -6.576 1.00 0.00 N ATOM 1959 CA LEU C 23 -4.392 6.610 -7.663 1.00 0.00 C ATOM 1960 C LEU C 23 -4.848 8.024 -7.290 1.00 0.00 C ATOM 1961 O LEU C 23 -5.084 8.840 -8.181 1.00 0.00 O ATOM 1962 CB LEU C 23 -5.598 5.759 -8.095 1.00 0.00 C ATOM 1963 CG LEU C 23 -5.554 4.285 -7.681 1.00 0.00 C ATOM 1964 CD1 LEU C 23 -6.900 3.662 -8.031 1.00 0.00 C ATOM 1965 CD2 LEU C 23 -4.448 3.528 -8.410 1.00 0.00 C ATOM 0 H LEU C 23 -4.139 5.215 -6.113 1.00 0.00 H new ATOM 0 HA LEU C 23 -3.708 6.683 -8.508 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.502 6.207 -7.681 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -5.685 5.810 -9.180 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.350 4.222 -6.612 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.899 2.610 -7.747 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.693 4.182 -7.493 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.073 3.748 -9.104 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -4.448 2.486 -8.090 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -4.621 3.577 -9.485 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.484 3.979 -8.176 1.00 0.00 H new ATOM 1977 N GLY C 24 -4.973 8.324 -5.994 1.00 0.00 N ATOM 1978 CA GLY C 24 -5.326 9.668 -5.552 1.00 0.00 C ATOM 1979 C GLY C 24 -5.850 9.707 -4.121 1.00 0.00 C ATOM 1980 O GLY C 24 -5.807 8.703 -3.410 1.00 0.00 O ATOM 0 H GLY C 24 -4.835 7.654 -5.238 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -4.450 10.312 -5.630 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -6.083 10.077 -6.221 1.00 0.00 H new ATOM 1984 N VAL C 25 -6.351 10.876 -3.698 1.00 0.00 N ATOM 1985 CA VAL C 25 -6.958 11.046 -2.379 1.00 0.00 C ATOM 1986 C VAL C 25 -8.354 11.654 -2.519 1.00 0.00 C ATOM 1987 O VAL C 25 -8.741 12.085 -3.605 1.00 0.00 O ATOM 1988 CB VAL C 25 -6.063 11.891 -1.452 1.00 0.00 C ATOM 1989 CG1 VAL C 25 -4.597 11.461 -1.539 1.00 0.00 C ATOM 1990 CG2 VAL C 25 -6.167 13.386 -1.754 1.00 0.00 C ATOM 0 H VAL C 25 -6.345 11.726 -4.262 1.00 0.00 H new ATOM 0 HA VAL C 25 -7.056 10.065 -1.915 1.00 0.00 H new ATOM 0 HB VAL C 25 -6.428 11.715 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -3.996 12.079 -0.872 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.506 10.415 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -4.243 11.582 -2.563 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -5.519 13.940 -1.075 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -5.859 13.572 -2.783 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -7.198 13.714 -1.619 1.00 0.00 H new ATOM 2000 N SER C 26 -9.117 11.693 -1.420 1.00 0.00 N ATOM 2001 CA SER C 26 -10.488 12.192 -1.421 1.00 0.00 C ATOM 2002 C SER C 26 -10.768 12.948 -0.125 1.00 0.00 C ATOM 2003 O SER C 26 -11.771 12.706 0.545 1.00 0.00 O ATOM 2004 CB SER C 26 -11.460 11.027 -1.604 1.00 0.00 C ATOM 2005 OG SER C 26 -12.756 11.517 -1.874 1.00 0.00 O ATOM 0 H SER C 26 -8.795 11.377 -0.505 1.00 0.00 H new ATOM 0 HA SER C 26 -10.625 12.885 -2.251 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.126 10.389 -2.422 1.00 0.00 H new ATOM 0 HB3 SER C 26 -11.475 10.411 -0.705 1.00 0.00 H new ATOM 0 HG SER C 26 -13.058 12.073 -1.126 1.00 0.00 H new ATOM 2011 N GLY C 27 -9.870 13.872 0.229 1.00 0.00 N ATOM 2012 CA GLY C 27 -9.936 14.623 1.471 1.00 0.00 C ATOM 2013 C GLY C 27 -8.867 14.094 2.416 1.00 0.00 C ATOM 2014 O GLY C 27 -7.690 14.410 2.255 1.00 0.00 O ATOM 0 H GLY C 27 -9.068 14.117 -0.352 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -9.780 15.685 1.280 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -10.923 14.522 1.922 1.00 0.00 H new ATOM 2018 N GLN C 28 -9.269 13.285 3.400 1.00 0.00 N ATOM 2019 CA GLN C 28 -8.334 12.597 4.277 1.00 0.00 C ATOM 2020 C GLN C 28 -8.456 11.088 4.068 1.00 0.00 C ATOM 2021 O GLN C 28 -7.789 10.295 4.739 1.00 0.00 O ATOM 2022 CB GLN C 28 -8.542 13.021 5.732 1.00 0.00 C ATOM 2023 CG GLN C 28 -7.203 13.454 6.337 1.00 0.00 C ATOM 2024 CD GLN C 28 -6.689 14.726 5.672 1.00 0.00 C ATOM 2025 OE1 GLN C 28 -7.173 15.814 5.962 1.00 0.00 O ATOM 2026 NE2 GLN C 28 -5.704 14.603 4.786 1.00 0.00 N ATOM 0 H GLN C 28 -10.249 13.093 3.606 1.00 0.00 H new ATOM 0 HA GLN C 28 -7.312 12.880 4.025 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -9.258 13.841 5.784 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -8.962 12.195 6.306 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -7.321 13.621 7.408 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -6.471 12.655 6.218 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -5.325 13.681 4.569 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -5.328 15.431 4.324 1.00 0.00 H new ATOM 2035 N GLN C 29 -9.322 10.701 3.122 1.00 0.00 N ATOM 2036 CA GLN C 29 -9.359 9.345 2.612 1.00 0.00 C ATOM 2037 C GLN C 29 -8.334 9.253 1.489 1.00 0.00 C ATOM 2038 O GLN C 29 -7.890 10.270 0.955 1.00 0.00 O ATOM 2039 CB GLN C 29 -10.745 8.979 2.074 1.00 0.00 C ATOM 2040 CG GLN C 29 -11.748 8.750 3.204 1.00 0.00 C ATOM 2041 CD GLN C 29 -12.828 7.758 2.790 1.00 0.00 C ATOM 2042 OE1 GLN C 29 -12.663 6.552 2.950 1.00 0.00 O ATOM 2043 NE2 GLN C 29 -13.938 8.249 2.251 1.00 0.00 N ATOM 0 H GLN C 29 -10.009 11.324 2.697 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.133 8.648 3.419 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -11.105 9.776 1.424 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -10.672 8.079 1.464 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -11.227 8.377 4.086 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -12.209 9.698 3.483 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -14.045 9.256 2.132 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.684 7.619 1.956 1.00 0.00 H new ATOM 2052 N VAL C 30 -7.957 8.031 1.127 1.00 0.00 N ATOM 2053 CA VAL C 30 -6.953 7.780 0.111 1.00 0.00 C ATOM 2054 C VAL C 30 -7.421 6.616 -0.753 1.00 0.00 C ATOM 2055 O VAL C 30 -8.113 5.723 -0.263 1.00 0.00 O ATOM 2056 CB VAL C 30 -5.609 7.477 0.786 1.00 0.00 C ATOM 2057 CG1 VAL C 30 -4.516 7.285 -0.257 1.00 0.00 C ATOM 2058 CG2 VAL C 30 -5.173 8.635 1.685 1.00 0.00 C ATOM 0 H VAL C 30 -8.346 7.182 1.537 1.00 0.00 H new ATOM 0 HA VAL C 30 -6.816 8.655 -0.525 1.00 0.00 H new ATOM 0 HB VAL C 30 -5.748 6.570 1.374 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -3.571 7.071 0.242 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -4.778 6.453 -0.910 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -4.416 8.194 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -4.218 8.394 2.151 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -5.067 9.540 1.087 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -5.923 8.797 2.459 1.00 0.00 H new ATOM 2068 N ARG C 31 -7.048 6.618 -2.036 1.00 0.00 N ATOM 2069 CA ARG C 31 -7.485 5.616 -2.996 1.00 0.00 C ATOM 2070 C ARG C 31 -6.269 4.962 -3.624 1.00 0.00 C ATOM 2071 O ARG C 31 -5.433 5.630 -4.234 1.00 0.00 O ATOM 2072 CB ARG C 31 -8.363 6.278 -4.054 1.00 0.00 C ATOM 2073 CG ARG C 31 -9.145 5.239 -4.846 1.00 0.00 C ATOM 2074 CD ARG C 31 -10.073 6.003 -5.778 1.00 0.00 C ATOM 2075 NE ARG C 31 -11.062 5.123 -6.410 1.00 0.00 N ATOM 2076 CZ ARG C 31 -11.309 5.094 -7.722 1.00 0.00 C ATOM 2077 NH1 ARG C 31 -10.594 5.820 -8.577 1.00 0.00 N ATOM 2078 NH2 ARG C 31 -12.289 4.337 -8.201 1.00 0.00 N ATOM 0 H ARG C 31 -6.429 7.324 -2.435 1.00 0.00 H new ATOM 0 HA ARG C 31 -8.072 4.845 -2.497 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -9.055 6.971 -3.575 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -7.742 6.864 -4.731 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -8.471 4.597 -5.413 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -9.714 4.592 -4.178 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -10.588 6.784 -5.218 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -9.484 6.500 -6.549 1.00 0.00 H new ATOM 0 HE ARG C 31 -11.595 4.494 -5.809 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -9.839 6.415 -8.234 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -10.800 5.782 -9.575 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -12.856 3.775 -7.566 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -12.475 4.317 -9.204 1.00 0.00 H new ATOM 2092 N ILE C 32 -6.183 3.644 -3.458 1.00 0.00 N ATOM 2093 CA ILE C 32 -4.985 2.880 -3.764 1.00 0.00 C ATOM 2094 C ILE C 32 -5.372 1.580 -4.449 1.00 0.00 C ATOM 2095 O ILE C 32 -6.372 0.960 -4.100 1.00 0.00 O ATOM 2096 CB ILE C 32 -4.248 2.609 -2.441 1.00 0.00 C ATOM 2097 CG1 ILE C 32 -3.671 3.916 -1.890 1.00 0.00 C ATOM 2098 CG2 ILE C 32 -3.120 1.588 -2.615 1.00 0.00 C ATOM 2099 CD1 ILE C 32 -3.363 3.801 -0.399 1.00 0.00 C ATOM 0 H ILE C 32 -6.952 3.075 -3.104 1.00 0.00 H new ATOM 0 HA ILE C 32 -4.331 3.432 -4.439 1.00 0.00 H new ATOM 0 HB ILE C 32 -4.973 2.194 -1.740 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -2.761 4.172 -2.433 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.380 4.727 -2.056 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.625 1.425 -1.657 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.534 0.646 -2.974 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.396 1.965 -3.338 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -2.955 4.745 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -4.279 3.570 0.145 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -2.635 3.006 -0.238 1.00 0.00 H new ATOM 2111 N GLY C 33 -4.565 1.178 -5.429 1.00 0.00 N ATOM 2112 CA GLY C 33 -4.778 -0.047 -6.172 1.00 0.00 C ATOM 2113 C GLY C 33 -3.677 -1.045 -5.849 1.00 0.00 C ATOM 2114 O GLY C 33 -2.623 -0.679 -5.327 1.00 0.00 O ATOM 0 H GLY C 33 -3.742 1.702 -5.726 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -5.750 -0.471 -5.921 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -4.788 0.163 -7.242 1.00 0.00 H new ATOM 2118 N ILE C 34 -3.930 -2.313 -6.160 1.00 0.00 N ATOM 2119 CA ILE C 34 -3.021 -3.403 -5.880 1.00 0.00 C ATOM 2120 C ILE C 34 -2.942 -4.252 -7.136 1.00 0.00 C ATOM 2121 O ILE C 34 -3.918 -4.372 -7.874 1.00 0.00 O ATOM 2122 CB ILE C 34 -3.525 -4.213 -4.677 1.00 0.00 C ATOM 2123 CG1 ILE C 34 -3.696 -3.290 -3.465 1.00 0.00 C ATOM 2124 CG2 ILE C 34 -2.550 -5.341 -4.335 1.00 0.00 C ATOM 2125 CD1 ILE C 34 -4.360 -4.000 -2.284 1.00 0.00 C ATOM 0 H ILE C 34 -4.790 -2.610 -6.622 1.00 0.00 H new ATOM 0 HA ILE C 34 -2.028 -3.037 -5.619 1.00 0.00 H new ATOM 0 HB ILE C 34 -4.487 -4.655 -4.937 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -2.721 -2.913 -3.158 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -4.296 -2.426 -3.751 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -2.928 -5.901 -3.480 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.451 -6.008 -5.191 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -1.576 -4.918 -4.090 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -4.459 -3.305 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.347 -4.354 -2.581 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -3.747 -4.848 -1.978 1.00 0.00 H new ATOM 2137 N ASN C 35 -1.775 -4.841 -7.383 1.00 0.00 N ATOM 2138 CA ASN C 35 -1.532 -5.596 -8.594 1.00 0.00 C ATOM 2139 C ASN C 35 -0.758 -6.854 -8.246 1.00 0.00 C ATOM 2140 O ASN C 35 0.469 -6.836 -8.152 1.00 0.00 O ATOM 2141 CB ASN C 35 -0.783 -4.715 -9.592 1.00 0.00 C ATOM 2142 CG ASN C 35 -0.588 -5.399 -10.936 1.00 0.00 C ATOM 2143 OD1 ASN C 35 -1.185 -6.435 -11.214 1.00 0.00 O ATOM 2144 ND2 ASN C 35 0.252 -4.817 -11.781 1.00 0.00 N ATOM 0 H ASN C 35 -0.978 -4.805 -6.747 1.00 0.00 H new ATOM 0 HA ASN C 35 -2.470 -5.899 -9.059 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -1.334 -3.786 -9.737 1.00 0.00 H new ATOM 0 HB3 ASN C 35 0.190 -4.448 -9.179 1.00 0.00 H new ATOM 0 HD21 ASN C 35 0.420 -5.230 -12.698 1.00 0.00 H new ATOM 0 HD22 ASN C 35 0.730 -3.956 -11.514 1.00 0.00 H new ATOM 2151 N ALA C 36 -1.494 -7.948 -8.055 1.00 0.00 N ATOM 2152 CA ALA C 36 -0.923 -9.220 -7.650 1.00 0.00 C ATOM 2153 C ALA C 36 -1.622 -10.390 -8.339 1.00 0.00 C ATOM 2154 O ALA C 36 -2.765 -10.259 -8.779 1.00 0.00 O ATOM 2155 CB ALA C 36 -1.084 -9.360 -6.138 1.00 0.00 C ATOM 0 H ALA C 36 -2.506 -7.971 -8.179 1.00 0.00 H new ATOM 0 HA ALA C 36 0.129 -9.240 -7.936 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -0.661 -10.311 -5.813 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -0.564 -8.542 -5.639 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -2.143 -9.327 -5.880 1.00 0.00 H new ATOM 2161 N PRO C 37 -0.944 -11.538 -8.433 1.00 0.00 N ATOM 2162 CA PRO C 37 -1.513 -12.786 -8.910 1.00 0.00 C ATOM 2163 C PRO C 37 -2.491 -13.378 -7.908 1.00 0.00 C ATOM 2164 O PRO C 37 -2.463 -13.052 -6.724 1.00 0.00 O ATOM 2165 CB PRO C 37 -0.322 -13.728 -9.063 1.00 0.00 C ATOM 2166 CG PRO C 37 0.703 -13.201 -8.066 1.00 0.00 C ATOM 2167 CD PRO C 37 0.451 -11.700 -8.075 1.00 0.00 C ATOM 0 HA PRO C 37 -2.065 -12.632 -9.837 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -0.599 -14.759 -8.842 1.00 0.00 H new ATOM 0 HB3 PRO C 37 0.069 -13.714 -10.081 1.00 0.00 H new ATOM 0 HG2 PRO C 37 0.558 -13.628 -7.074 1.00 0.00 H new ATOM 0 HG3 PRO C 37 1.722 -13.441 -8.370 1.00 0.00 H new ATOM 0 HD2 PRO C 37 0.658 -11.263 -7.098 1.00 0.00 H new ATOM 0 HD3 PRO C 37 1.100 -11.198 -8.793 1.00 0.00 H new ATOM 2175 N LYS C 38 -3.362 -14.268 -8.394 1.00 0.00 N ATOM 2176 CA LYS C 38 -4.272 -15.016 -7.537 1.00 0.00 C ATOM 2177 C LYS C 38 -3.495 -16.027 -6.694 1.00 0.00 C ATOM 2178 O LYS C 38 -4.070 -16.700 -5.841 1.00 0.00 O ATOM 2179 CB LYS C 38 -5.330 -15.712 -8.398 1.00 0.00 C ATOM 2180 CG LYS C 38 -6.205 -14.700 -9.141 1.00 0.00 C ATOM 2181 CD LYS C 38 -6.863 -13.726 -8.166 1.00 0.00 C ATOM 2182 CE LYS C 38 -7.883 -12.861 -8.897 1.00 0.00 C ATOM 2183 NZ LYS C 38 -9.005 -13.659 -9.430 1.00 0.00 N ATOM 0 H LYS C 38 -3.452 -14.485 -9.386 1.00 0.00 H new ATOM 0 HA LYS C 38 -4.775 -14.330 -6.855 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -4.840 -16.368 -9.118 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -5.957 -16.342 -7.767 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.599 -14.148 -9.859 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -6.972 -15.225 -9.709 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -7.352 -14.278 -7.363 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -6.104 -13.095 -7.703 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -8.269 -12.102 -8.216 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -7.392 -12.335 -9.715 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -9.824 -13.040 -9.595 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -8.720 -14.102 -10.327 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -9.262 -14.398 -8.745 1.00 0.00 H new ATOM 2197 N ASP C 39 -2.183 -16.131 -6.932 1.00 0.00 N ATOM 2198 CA ASP C 39 -1.271 -16.918 -6.120 1.00 0.00 C ATOM 2199 C ASP C 39 -1.151 -16.310 -4.720 1.00 0.00 C ATOM 2200 O ASP C 39 -0.586 -16.932 -3.822 1.00 0.00 O ATOM 2201 CB ASP C 39 0.097 -16.939 -6.802 1.00 0.00 C ATOM 2202 CG ASP C 39 0.088 -17.838 -8.036 1.00 0.00 C ATOM 2203 OD1 ASP C 39 0.246 -19.066 -7.851 1.00 0.00 O ATOM 2204 OD2 ASP C 39 -0.079 -17.294 -9.149 1.00 0.00 O ATOM 0 H ASP C 39 -1.724 -15.659 -7.711 1.00 0.00 H new ATOM 0 HA ASP C 39 -1.651 -17.935 -6.020 1.00 0.00 H new ATOM 0 HB2 ASP C 39 0.378 -15.926 -7.090 1.00 0.00 H new ATOM 0 HB3 ASP C 39 0.851 -17.291 -6.098 1.00 0.00 H new ATOM 2209 N VAL C 40 -1.679 -15.093 -4.536 1.00 0.00 N ATOM 2210 CA VAL C 40 -1.649 -14.391 -3.260 1.00 0.00 C ATOM 2211 C VAL C 40 -2.987 -13.692 -3.032 1.00 0.00 C ATOM 2212 O VAL C 40 -3.753 -13.466 -3.971 1.00 0.00 O ATOM 2213 CB VAL C 40 -0.487 -13.389 -3.211 1.00 0.00 C ATOM 2214 CG1 VAL C 40 0.828 -14.059 -3.613 1.00 0.00 C ATOM 2215 CG2 VAL C 40 -0.721 -12.215 -4.153 1.00 0.00 C ATOM 0 H VAL C 40 -2.141 -14.569 -5.279 1.00 0.00 H new ATOM 0 HA VAL C 40 -1.488 -15.114 -2.461 1.00 0.00 H new ATOM 0 HB VAL C 40 -0.430 -13.029 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL C 40 1.636 -13.329 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL C 40 1.043 -14.879 -2.928 1.00 0.00 H new ATOM 0 HG13 VAL C 40 0.743 -14.448 -4.628 1.00 0.00 H new ATOM 0 HG21 VAL C 40 0.121 -11.526 -4.092 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -0.816 -12.582 -5.175 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.636 -11.696 -3.867 1.00 0.00 H new ATOM 2225 N ALA C 41 -3.272 -13.350 -1.778 1.00 0.00 N ATOM 2226 CA ALA C 41 -4.551 -12.778 -1.405 1.00 0.00 C ATOM 2227 C ALA C 41 -4.373 -11.335 -0.956 1.00 0.00 C ATOM 2228 O ALA C 41 -3.326 -10.984 -0.413 1.00 0.00 O ATOM 2229 CB ALA C 41 -5.153 -13.623 -0.285 1.00 0.00 C ATOM 0 H ALA C 41 -2.623 -13.463 -1.000 1.00 0.00 H new ATOM 0 HA ALA C 41 -5.224 -12.778 -2.263 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -6.117 -13.206 0.008 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -5.292 -14.646 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -4.481 -13.621 0.573 1.00 0.00 H new ATOM 2235 N VAL C 42 -5.390 -10.494 -1.174 1.00 0.00 N ATOM 2236 CA VAL C 42 -5.342 -9.104 -0.741 1.00 0.00 C ATOM 2237 C VAL C 42 -6.730 -8.661 -0.295 1.00 0.00 C ATOM 2238 O VAL C 42 -7.697 -8.817 -1.038 1.00 0.00 O ATOM 2239 CB VAL C 42 -4.812 -8.192 -1.865 1.00 0.00 C ATOM 2240 CG1 VAL C 42 -3.388 -8.581 -2.249 1.00 0.00 C ATOM 2241 CG2 VAL C 42 -5.658 -8.251 -3.139 1.00 0.00 C ATOM 0 H VAL C 42 -6.254 -10.757 -1.648 1.00 0.00 H new ATOM 0 HA VAL C 42 -4.654 -9.022 0.100 1.00 0.00 H new ATOM 0 HB VAL C 42 -4.854 -7.181 -1.460 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -3.033 -7.925 -3.044 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -2.737 -8.483 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -3.374 -9.614 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -5.231 -7.587 -3.890 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -5.669 -9.272 -3.521 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -6.677 -7.937 -2.914 1.00 0.00 H new ATOM 2251 N HIS C 43 -6.847 -8.110 0.917 1.00 0.00 N ATOM 2252 CA HIS C 43 -8.135 -7.626 1.405 1.00 0.00 C ATOM 2253 C HIS C 43 -7.958 -6.571 2.486 1.00 0.00 C ATOM 2254 O HIS C 43 -6.875 -6.414 3.051 1.00 0.00 O ATOM 2255 CB HIS C 43 -8.975 -8.758 2.015 1.00 0.00 C ATOM 2256 CG HIS C 43 -8.851 -10.099 1.350 1.00 0.00 C ATOM 2257 ND1 HIS C 43 -9.753 -10.632 0.424 1.00 0.00 N ATOM 2258 CD2 HIS C 43 -7.840 -10.992 1.561 1.00 0.00 C ATOM 2259 CE1 HIS C 43 -9.261 -11.839 0.104 1.00 0.00 C ATOM 2260 NE2 HIS C 43 -8.118 -12.079 0.770 1.00 0.00 N ATOM 0 H HIS C 43 -6.072 -7.990 1.570 1.00 0.00 H new ATOM 0 HA HIS C 43 -8.642 -7.205 0.537 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -8.696 -8.867 3.063 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -10.023 -8.459 1.993 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -10.604 -10.196 0.068 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.992 -10.868 2.218 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.720 -12.524 -0.593 1.00 0.00 H new ATOM 2268 N ARG C 44 -9.045 -5.849 2.769 1.00 0.00 N ATOM 2269 CA ARG C 44 -9.107 -4.939 3.898 1.00 0.00 C ATOM 2270 C ARG C 44 -9.072 -5.763 5.180 1.00 0.00 C ATOM 2271 O ARG C 44 -9.500 -6.917 5.179 1.00 0.00 O ATOM 2272 CB ARG C 44 -10.385 -4.103 3.773 1.00 0.00 C ATOM 2273 CG ARG C 44 -10.561 -3.108 4.925 1.00 0.00 C ATOM 2274 CD ARG C 44 -11.836 -2.289 4.700 1.00 0.00 C ATOM 2275 NE ARG C 44 -12.133 -1.443 5.865 1.00 0.00 N ATOM 2276 CZ ARG C 44 -11.627 -0.226 6.077 1.00 0.00 C ATOM 2277 NH1 ARG C 44 -10.774 0.326 5.220 1.00 0.00 N ATOM 2278 NH2 ARG C 44 -11.974 0.456 7.164 1.00 0.00 N ATOM 0 H ARG C 44 -9.903 -5.884 2.218 1.00 0.00 H new ATOM 0 HA ARG C 44 -8.260 -4.253 3.918 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -10.366 -3.559 2.829 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -11.247 -4.769 3.740 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -10.621 -3.641 5.874 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -9.697 -2.447 4.984 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -11.720 -1.665 3.814 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -12.674 -2.960 4.510 1.00 0.00 H new ATOM 0 HE ARG C 44 -12.775 -1.814 6.565 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -10.494 -0.182 4.381 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -10.400 1.257 5.402 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -12.626 0.049 7.835 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -11.588 1.386 7.327 1.00 0.00 H new ATOM 2292 N GLU C 45 -8.569 -5.181 6.268 1.00 0.00 N ATOM 2293 CA GLU C 45 -8.468 -5.879 7.545 1.00 0.00 C ATOM 2294 C GLU C 45 -9.826 -6.401 8.020 1.00 0.00 C ATOM 2295 O GLU C 45 -9.869 -7.326 8.824 1.00 0.00 O ATOM 2296 CB GLU C 45 -7.870 -4.940 8.595 1.00 0.00 C ATOM 2297 CG GLU C 45 -6.363 -4.768 8.388 1.00 0.00 C ATOM 2298 CD GLU C 45 -5.600 -6.021 8.804 1.00 0.00 C ATOM 2299 OE1 GLU C 45 -5.415 -6.891 7.925 1.00 0.00 O ATOM 2300 OE2 GLU C 45 -5.210 -6.102 9.989 1.00 0.00 O ATOM 0 H GLU C 45 -8.224 -4.221 6.288 1.00 0.00 H new ATOM 0 HA GLU C 45 -7.817 -6.742 7.406 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -8.361 -3.968 8.540 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -8.060 -5.337 9.592 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -6.161 -4.548 7.340 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -6.009 -3.915 8.967 1.00 0.00 H new ATOM 2307 N GLU C 46 -10.934 -5.827 7.540 1.00 0.00 N ATOM 2308 CA GLU C 46 -12.253 -6.302 7.932 1.00 0.00 C ATOM 2309 C GLU C 46 -12.559 -7.647 7.271 1.00 0.00 C ATOM 2310 O GLU C 46 -13.058 -8.549 7.936 1.00 0.00 O ATOM 2311 CB GLU C 46 -13.298 -5.253 7.538 1.00 0.00 C ATOM 2312 CG GLU C 46 -14.719 -5.700 7.891 1.00 0.00 C ATOM 2313 CD GLU C 46 -14.897 -5.990 9.378 1.00 0.00 C ATOM 2314 OE1 GLU C 46 -14.406 -5.173 10.188 1.00 0.00 O ATOM 2315 OE2 GLU C 46 -15.521 -7.030 9.687 1.00 0.00 O ATOM 0 H GLU C 46 -10.939 -5.043 6.888 1.00 0.00 H new ATOM 0 HA GLU C 46 -12.280 -6.450 9.012 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -13.077 -4.313 8.044 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -13.234 -5.061 6.467 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -15.424 -4.925 7.590 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -14.966 -6.595 7.319 1.00 0.00 H new ATOM 2322 N ILE C 47 -12.268 -7.788 5.971 1.00 0.00 N ATOM 2323 CA ILE C 47 -12.529 -9.019 5.237 1.00 0.00 C ATOM 2324 C ILE C 47 -11.528 -10.077 5.679 1.00 0.00 C ATOM 2325 O ILE C 47 -11.858 -11.261 5.766 1.00 0.00 O ATOM 2326 CB ILE C 47 -12.377 -8.771 3.726 1.00 0.00 C ATOM 2327 CG1 ILE C 47 -13.587 -8.066 3.109 1.00 0.00 C ATOM 2328 CG2 ILE C 47 -12.214 -10.085 2.964 1.00 0.00 C ATOM 2329 CD1 ILE C 47 -13.894 -6.711 3.741 1.00 0.00 C ATOM 0 H ILE C 47 -11.847 -7.051 5.406 1.00 0.00 H new ATOM 0 HA ILE C 47 -13.545 -9.357 5.441 1.00 0.00 H new ATOM 0 HB ILE C 47 -11.494 -8.139 3.636 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -13.411 -7.928 2.042 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -14.461 -8.710 3.208 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -12.109 -9.877 1.899 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -11.325 -10.605 3.322 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -13.091 -10.711 3.127 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -14.764 -6.271 3.253 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -14.102 -6.843 4.803 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -13.036 -6.050 3.619 1.00 0.00 H new ATOM 2341 N TYR C 48 -10.301 -9.636 5.954 1.00 0.00 N ATOM 2342 CA TYR C 48 -9.194 -10.512 6.283 1.00 0.00 C ATOM 2343 C TYR C 48 -9.455 -11.341 7.537 1.00 0.00 C ATOM 2344 O TYR C 48 -8.983 -12.472 7.649 1.00 0.00 O ATOM 2345 CB TYR C 48 -7.964 -9.633 6.481 1.00 0.00 C ATOM 2346 CG TYR C 48 -6.724 -10.417 6.822 1.00 0.00 C ATOM 2347 CD1 TYR C 48 -5.965 -11.014 5.805 1.00 0.00 C ATOM 2348 CD2 TYR C 48 -6.345 -10.547 8.163 1.00 0.00 C ATOM 2349 CE1 TYR C 48 -4.812 -11.741 6.129 1.00 0.00 C ATOM 2350 CE2 TYR C 48 -5.205 -11.285 8.494 1.00 0.00 C ATOM 2351 CZ TYR C 48 -4.426 -11.881 7.478 1.00 0.00 C ATOM 2352 OH TYR C 48 -3.307 -12.593 7.797 1.00 0.00 O ATOM 0 H TYR C 48 -10.052 -8.647 5.953 1.00 0.00 H new ATOM 0 HA TYR C 48 -9.051 -11.226 5.472 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -7.785 -9.059 5.572 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -8.163 -8.915 7.277 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -6.269 -10.913 4.774 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -6.931 -10.079 8.940 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -4.220 -12.193 5.347 1.00 0.00 H new ATOM 0 HE2 TYR C 48 -4.919 -11.400 9.529 1.00 0.00 H new ATOM 0 HH TYR C 48 -3.184 -12.590 8.769 1.00 0.00 H new