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= -0.395 K(o=-0.4,f=-1.5) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot -89:sc= 0.0065 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc=-0.00195 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.395 X(o=-0.4,f=-0.53) 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= 0.0017 USER MOD Set 4.2: A 21 THR OG1 : rot -74:sc= 0.00112 USER MOD Single : A 1 MET CE :methyl -158:sc= -0.0107 (180deg=-0.143) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.0181 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= 1.23 (180deg=0.816) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.487 X(o=-0.49,f=-0.3) USER MOD Single : A 29 GLN : amide:sc= -0.717 X(o=-0.72,f=-1) USER MOD Single : A 35 ASN : amide:sc= -0.198 K(o=-0.2,f=-3!) USER MOD Single : A 38 LYS NZ :NH3+ -158:sc= -0.0445 (180deg=-0.367) USER MOD Single : A 43 HIS : no HE2:sc= -1.38 K(o=-1.4,f=-2.3) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -164:sc= -0.0372 (180deg=-0.141) USER MOD Single : C 1 MET N :NH3+ 134:sc= 0.0172 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.557 X(o=-0.56,f=-0.12) USER MOD Single : C 29 GLN :FLIP amide:sc= -0.369 F(o=-1.1,f=-0.37) USER MOD Single : C 35 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.6!) USER MOD Single : C 38 LYS NZ :NH3+ 163:sc= -0.0503 (180deg=-0.315) USER MOD Single : C 43 HIS : no HE2:sc= -1.62 K(o=-1.6,f=-2.2) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.231 9.868 -2.017 1.00 0.00 N ATOM 2 CA MET A 1 6.759 9.839 -2.118 1.00 0.00 C ATOM 3 C MET A 1 6.333 9.528 -3.546 1.00 0.00 C ATOM 4 O MET A 1 6.938 10.031 -4.484 1.00 0.00 O ATOM 5 CB MET A 1 6.166 11.186 -1.675 1.00 0.00 C ATOM 6 CG MET A 1 4.635 11.218 -1.756 1.00 0.00 C ATOM 7 SD MET A 1 3.796 10.193 -0.530 1.00 0.00 S ATOM 8 CE MET A 1 2.096 10.527 -1.039 1.00 0.00 C ATOM 0 H1 MET A 1 8.515 10.533 -1.269 1.00 0.00 H new ATOM 0 H2 MET A 1 8.582 8.917 -1.786 1.00 0.00 H new ATOM 0 H3 MET A 1 8.635 10.175 -2.925 1.00 0.00 H new ATOM 0 HA MET A 1 6.383 9.056 -1.460 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.475 11.394 -0.651 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.575 11.980 -2.299 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.300 12.249 -1.640 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.330 10.894 -2.751 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.421 10.322 -0.208 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.003 11.572 -1.333 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.837 9.888 -1.883 1.00 0.00 H new ATOM 20 N LEU A 2 5.296 8.705 -3.713 1.00 0.00 N ATOM 21 CA LEU A 2 4.731 8.411 -5.019 1.00 0.00 C ATOM 22 C LEU A 2 3.212 8.397 -4.923 1.00 0.00 C ATOM 23 O LEU A 2 2.658 8.085 -3.871 1.00 0.00 O ATOM 24 CB LEU A 2 5.237 7.053 -5.503 1.00 0.00 C ATOM 25 CG LEU A 2 6.321 7.155 -6.581 1.00 0.00 C ATOM 26 CD1 LEU A 2 6.746 5.750 -6.995 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.820 7.883 -7.828 1.00 0.00 C ATOM 0 H LEU A 2 4.829 8.227 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 2 5.037 9.178 -5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.632 6.497 -4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.397 6.480 -5.896 1.00 0.00 H new ATOM 0 HG LEU A 2 7.154 7.718 -6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.518 5.815 -7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.140 5.219 -6.128 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.885 5.211 -7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.620 7.933 -8.566 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.972 7.343 -8.248 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.510 8.893 -7.560 1.00 0.00 H new ATOM 39 N ILE A 3 2.547 8.733 -6.027 1.00 0.00 N ATOM 40 CA ILE A 3 1.094 8.721 -6.110 1.00 0.00 C ATOM 41 C ILE A 3 0.711 8.028 -7.409 1.00 0.00 C ATOM 42 O ILE A 3 1.420 8.130 -8.410 1.00 0.00 O ATOM 43 CB ILE A 3 0.531 10.150 -6.042 1.00 0.00 C ATOM 44 CG1 ILE A 3 0.789 10.802 -4.681 1.00 0.00 C ATOM 45 CG2 ILE A 3 -0.984 10.142 -6.232 1.00 0.00 C ATOM 46 CD1 ILE A 3 2.148 11.489 -4.600 1.00 0.00 C ATOM 0 H ILE A 3 3.006 9.022 -6.891 1.00 0.00 H new ATOM 0 HA ILE A 3 0.667 8.180 -5.266 1.00 0.00 H new ATOM 0 HB ILE A 3 1.033 10.708 -6.832 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.006 11.533 -4.480 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.724 10.042 -3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.363 11.163 -6.180 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.226 9.714 -7.205 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.446 9.544 -5.447 1.00 0.00 H new ATOM 0 HD11 ILE A 3 2.273 11.932 -3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.937 10.757 -4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.207 12.270 -5.358 1.00 0.00 H new ATOM 58 N LEU A 4 -0.419 7.320 -7.386 1.00 0.00 N ATOM 59 CA LEU A 4 -0.897 6.520 -8.502 1.00 0.00 C ATOM 60 C LEU A 4 -2.415 6.531 -8.531 1.00 0.00 C ATOM 61 O LEU A 4 -3.058 6.937 -7.560 1.00 0.00 O ATOM 62 CB LEU A 4 -0.445 5.067 -8.322 1.00 0.00 C ATOM 63 CG LEU A 4 1.070 4.859 -8.367 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.342 3.389 -8.058 1.00 0.00 C ATOM 65 CD2 LEU A 4 1.643 5.175 -9.744 1.00 0.00 C ATOM 0 H LEU A 4 -1.035 7.289 -6.574 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.496 6.937 -9.426 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.820 4.700 -7.367 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.905 4.458 -9.101 1.00 0.00 H new ATOM 0 HG LEU A 4 1.540 5.526 -7.644 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.416 3.205 -8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.954 3.147 -7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.850 2.764 -8.803 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.721 5.015 -9.735 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.186 4.522 -10.487 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.433 6.214 -9.996 1.00 0.00 H new ATOM 77 N THR A 5 -2.989 6.083 -9.649 1.00 0.00 N ATOM 78 CA THR A 5 -4.427 5.894 -9.747 1.00 0.00 C ATOM 79 C THR A 5 -4.696 4.509 -10.315 1.00 0.00 C ATOM 80 O THR A 5 -4.684 4.306 -11.528 1.00 0.00 O ATOM 81 CB THR A 5 -5.104 6.979 -10.585 1.00 0.00 C ATOM 82 OG1 THR A 5 -4.544 8.246 -10.319 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.575 6.996 -10.190 1.00 0.00 C ATOM 0 H THR A 5 -2.474 5.846 -10.497 1.00 0.00 H new ATOM 0 HA THR A 5 -4.859 5.977 -8.750 1.00 0.00 H new ATOM 0 HB THR A 5 -4.970 6.766 -11.646 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.992 8.923 -10.868 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.098 7.759 -10.766 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.018 6.021 -10.393 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.664 7.220 -9.127 1.00 0.00 H new ATOM 91 N ARG A 6 -4.943 3.557 -9.414 1.00 0.00 N ATOM 92 CA ARG A 6 -5.170 2.159 -9.740 1.00 0.00 C ATOM 93 C ARG A 6 -6.664 1.870 -9.614 1.00 0.00 C ATOM 94 O ARG A 6 -7.366 2.649 -8.979 1.00 0.00 O ATOM 95 CB ARG A 6 -4.362 1.346 -8.722 1.00 0.00 C ATOM 96 CG ARG A 6 -4.066 -0.098 -9.133 1.00 0.00 C ATOM 97 CD ARG A 6 -2.971 -0.173 -10.201 1.00 0.00 C ATOM 98 NE ARG A 6 -3.486 0.186 -11.525 1.00 0.00 N ATOM 99 CZ ARG A 6 -2.849 0.930 -12.433 1.00 0.00 C ATOM 100 NH1 ARG A 6 -1.635 1.416 -12.189 1.00 0.00 N ATOM 101 NH2 ARG A 6 -3.436 1.184 -13.597 1.00 0.00 N ATOM 0 H ARG A 6 -4.991 3.748 -8.413 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.862 1.906 -10.754 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.416 1.857 -8.541 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.905 1.334 -7.777 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.759 -0.669 -8.257 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.976 -0.562 -9.513 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.154 0.497 -9.933 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.559 -1.182 -10.231 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.411 -0.163 -11.775 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.178 1.222 -11.298 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.162 1.983 -12.893 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.366 0.812 -13.791 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.957 1.751 -14.297 1.00 0.00 H new ATOM 115 N LYS A 7 -7.178 0.780 -10.197 1.00 0.00 N ATOM 116 CA LYS A 7 -8.581 0.419 -10.008 1.00 0.00 C ATOM 117 C LYS A 7 -8.713 -0.996 -9.468 1.00 0.00 C ATOM 118 O LYS A 7 -7.749 -1.762 -9.432 1.00 0.00 O ATOM 119 CB LYS A 7 -9.430 0.606 -11.271 1.00 0.00 C ATOM 120 CG LYS A 7 -8.935 -0.225 -12.454 1.00 0.00 C ATOM 121 CD LYS A 7 -9.983 -0.171 -13.568 1.00 0.00 C ATOM 122 CE LYS A 7 -9.685 -1.190 -14.664 1.00 0.00 C ATOM 123 NZ LYS A 7 -8.367 -0.968 -15.285 1.00 0.00 N ATOM 0 H LYS A 7 -6.650 0.144 -10.794 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.977 1.114 -9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.463 0.335 -11.051 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.429 1.660 -11.549 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.981 0.161 -12.814 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.765 -1.257 -12.146 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.971 -0.363 -13.150 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.008 0.830 -13.998 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.722 -2.195 -14.244 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.459 -1.136 -15.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.308 -1.503 -16.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.242 0.046 -15.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.620 -1.290 -14.637 1.00 0.00 H new ATOM 137 N VAL A 8 -9.932 -1.335 -9.043 1.00 0.00 N ATOM 138 CA VAL A 8 -10.170 -2.571 -8.319 1.00 0.00 C ATOM 139 C VAL A 8 -9.722 -3.801 -9.100 1.00 0.00 C ATOM 140 O VAL A 8 -9.988 -3.928 -10.294 1.00 0.00 O ATOM 141 CB VAL A 8 -11.623 -2.675 -7.857 1.00 0.00 C ATOM 142 CG1 VAL A 8 -12.018 -1.401 -7.107 1.00 0.00 C ATOM 143 CG2 VAL A 8 -12.632 -2.888 -8.983 1.00 0.00 C ATOM 0 H VAL A 8 -10.766 -0.766 -9.191 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.548 -2.541 -7.425 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.660 -3.558 -7.219 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.055 -1.478 -6.779 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.371 -1.275 -6.239 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.910 -0.541 -7.768 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.637 -2.950 -8.564 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.581 -2.052 -9.681 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.400 -3.814 -9.509 1.00 0.00 H new ATOM 153 N GLY A 9 -9.038 -4.710 -8.398 1.00 0.00 N ATOM 154 CA GLY A 9 -8.590 -5.974 -8.972 1.00 0.00 C ATOM 155 C GLY A 9 -7.151 -5.909 -9.487 1.00 0.00 C ATOM 156 O GLY A 9 -6.629 -6.921 -9.948 1.00 0.00 O ATOM 0 H GLY A 9 -8.782 -4.587 -7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.667 -6.758 -8.219 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.253 -6.252 -9.791 1.00 0.00 H new ATOM 160 N GLU A 10 -6.513 -4.736 -9.416 1.00 0.00 N ATOM 161 CA GLU A 10 -5.141 -4.557 -9.878 1.00 0.00 C ATOM 162 C GLU A 10 -4.174 -4.526 -8.686 1.00 0.00 C ATOM 163 O GLU A 10 -4.601 -4.658 -7.537 1.00 0.00 O ATOM 164 CB GLU A 10 -5.066 -3.271 -10.706 1.00 0.00 C ATOM 165 CG GLU A 10 -5.996 -3.351 -11.918 1.00 0.00 C ATOM 166 CD GLU A 10 -6.014 -2.050 -12.715 1.00 0.00 C ATOM 167 OE1 GLU A 10 -5.842 -0.975 -12.096 1.00 0.00 O ATOM 168 OE2 GLU A 10 -6.202 -2.129 -13.948 1.00 0.00 O ATOM 0 H GLU A 10 -6.936 -3.889 -9.037 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.843 -5.396 -10.507 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.341 -2.418 -10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.041 -3.106 -11.038 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.677 -4.168 -12.566 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.007 -3.585 -11.584 1.00 0.00 H new ATOM 175 N SER A 11 -2.871 -4.356 -8.949 1.00 0.00 N ATOM 176 CA SER A 11 -1.855 -4.456 -7.904 1.00 0.00 C ATOM 177 C SER A 11 -0.723 -3.446 -8.081 1.00 0.00 C ATOM 178 O SER A 11 -0.591 -2.803 -9.121 1.00 0.00 O ATOM 179 CB SER A 11 -1.274 -5.872 -7.902 1.00 0.00 C ATOM 180 OG SER A 11 -2.280 -6.825 -7.620 1.00 0.00 O ATOM 0 H SER A 11 -2.501 -4.149 -9.877 1.00 0.00 H new ATOM 0 HA SER A 11 -2.342 -4.232 -6.955 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.824 -6.087 -8.871 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.480 -5.943 -7.159 1.00 0.00 H new ATOM 0 HG SER A 11 -1.890 -7.724 -7.625 1.00 0.00 H new ATOM 186 N ILE A 12 0.097 -3.327 -7.030 1.00 0.00 N ATOM 187 CA ILE A 12 1.247 -2.431 -6.938 1.00 0.00 C ATOM 188 C ILE A 12 2.324 -3.177 -6.137 1.00 0.00 C ATOM 189 O ILE A 12 2.016 -4.184 -5.500 1.00 0.00 O ATOM 190 CB ILE A 12 0.819 -1.119 -6.246 1.00 0.00 C ATOM 191 CG1 ILE A 12 -0.418 -0.515 -6.938 1.00 0.00 C ATOM 192 CG2 ILE A 12 1.955 -0.085 -6.241 1.00 0.00 C ATOM 193 CD1 ILE A 12 -0.933 0.741 -6.233 1.00 0.00 C ATOM 0 H ILE A 12 -0.033 -3.880 -6.183 1.00 0.00 H new ATOM 0 HA ILE A 12 1.640 -2.161 -7.918 1.00 0.00 H new ATOM 0 HB ILE A 12 0.572 -1.368 -5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.169 -0.271 -7.971 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.212 -1.261 -6.969 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.616 0.825 -5.746 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.814 -0.491 -5.707 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.242 0.145 -7.267 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.805 1.124 -6.763 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.211 0.495 -5.208 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.151 1.500 -6.225 1.00 0.00 H new ATOM 205 N ASN A 13 3.578 -2.713 -6.149 1.00 0.00 N ATOM 206 CA ASN A 13 4.667 -3.421 -5.481 1.00 0.00 C ATOM 207 C ASN A 13 5.645 -2.464 -4.805 1.00 0.00 C ATOM 208 O ASN A 13 5.747 -1.298 -5.178 1.00 0.00 O ATOM 209 CB ASN A 13 5.422 -4.271 -6.506 1.00 0.00 C ATOM 210 CG ASN A 13 4.578 -5.417 -7.035 1.00 0.00 C ATOM 211 OD1 ASN A 13 3.823 -5.260 -7.993 1.00 0.00 O ATOM 212 ND2 ASN A 13 4.696 -6.583 -6.408 1.00 0.00 N ATOM 0 H ASN A 13 3.861 -1.851 -6.615 1.00 0.00 H new ATOM 0 HA ASN A 13 4.228 -4.050 -4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.737 -3.640 -7.337 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.327 -4.670 -6.048 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.149 -7.386 -6.718 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.333 -6.674 -5.617 1.00 0.00 H new ATOM 219 N ILE A 14 6.367 -2.983 -3.802 1.00 0.00 N ATOM 220 CA ILE A 14 7.382 -2.242 -3.060 1.00 0.00 C ATOM 221 C ILE A 14 8.558 -3.172 -2.766 1.00 0.00 C ATOM 222 O ILE A 14 8.380 -4.384 -2.621 1.00 0.00 O ATOM 223 CB ILE A 14 6.795 -1.677 -1.752 1.00 0.00 C ATOM 224 CG1 ILE A 14 5.520 -0.871 -2.042 1.00 0.00 C ATOM 225 CG2 ILE A 14 7.832 -0.793 -1.042 1.00 0.00 C ATOM 226 CD1 ILE A 14 4.895 -0.283 -0.774 1.00 0.00 C ATOM 0 H ILE A 14 6.256 -3.945 -3.483 1.00 0.00 H new ATOM 0 HA ILE A 14 7.727 -1.399 -3.659 1.00 0.00 H new ATOM 0 HB ILE A 14 6.538 -2.510 -1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.755 -0.063 -2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.792 -1.514 -2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.405 -0.400 -0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.717 -1.386 -0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.112 0.035 -1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.997 0.277 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.632 -1.090 -0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.610 0.384 -0.291 1.00 0.00 H new ATOM 238 N GLY A 15 9.766 -2.608 -2.682 1.00 0.00 N ATOM 239 CA GLY A 15 10.975 -3.369 -2.424 1.00 0.00 C ATOM 240 C GLY A 15 11.119 -4.513 -3.422 1.00 0.00 C ATOM 241 O GLY A 15 10.825 -4.356 -4.606 1.00 0.00 O ATOM 0 H GLY A 15 9.925 -1.607 -2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.843 -2.713 -2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.950 -3.767 -1.409 1.00 0.00 H new ATOM 245 N ASP A 16 11.574 -5.663 -2.929 1.00 0.00 N ATOM 246 CA ASP A 16 11.721 -6.876 -3.721 1.00 0.00 C ATOM 247 C ASP A 16 11.055 -8.057 -3.012 1.00 0.00 C ATOM 248 O ASP A 16 11.233 -9.206 -3.411 1.00 0.00 O ATOM 249 CB ASP A 16 13.199 -7.130 -4.038 1.00 0.00 C ATOM 250 CG ASP A 16 14.033 -7.442 -2.798 1.00 0.00 C ATOM 251 OD1 ASP A 16 14.043 -6.600 -1.875 1.00 0.00 O ATOM 252 OD2 ASP A 16 14.655 -8.529 -2.783 1.00 0.00 O ATOM 0 H ASP A 16 11.854 -5.777 -1.955 1.00 0.00 H new ATOM 0 HA ASP A 16 11.210 -6.751 -4.676 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.276 -7.961 -4.739 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.613 -6.253 -4.536 1.00 0.00 H new ATOM 257 N ASP A 17 10.285 -7.772 -1.951 1.00 0.00 N ATOM 258 CA ASP A 17 9.579 -8.778 -1.164 1.00 0.00 C ATOM 259 C ASP A 17 8.191 -8.299 -0.732 1.00 0.00 C ATOM 260 O ASP A 17 7.572 -8.951 0.108 1.00 0.00 O ATOM 261 CB ASP A 17 10.396 -9.141 0.080 1.00 0.00 C ATOM 262 CG ASP A 17 11.718 -9.813 -0.274 1.00 0.00 C ATOM 263 OD1 ASP A 17 11.671 -10.954 -0.785 1.00 0.00 O ATOM 264 OD2 ASP A 17 12.769 -9.182 -0.026 1.00 0.00 O ATOM 0 H ASP A 17 10.137 -6.820 -1.616 1.00 0.00 H new ATOM 0 HA ASP A 17 9.453 -9.654 -1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.593 -8.239 0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.811 -9.806 0.715 1.00 0.00 H new ATOM 269 N ILE A 18 7.679 -7.184 -1.277 1.00 0.00 N ATOM 270 CA ILE A 18 6.371 -6.679 -0.869 1.00 0.00 C ATOM 271 C ILE A 18 5.474 -6.444 -2.083 1.00 0.00 C ATOM 272 O ILE A 18 5.938 -6.067 -3.160 1.00 0.00 O ATOM 273 CB ILE A 18 6.510 -5.396 -0.035 1.00 0.00 C ATOM 274 CG1 ILE A 18 7.410 -5.580 1.195 1.00 0.00 C ATOM 275 CG2 ILE A 18 5.129 -4.946 0.457 1.00 0.00 C ATOM 276 CD1 ILE A 18 8.869 -5.255 0.877 1.00 0.00 C ATOM 0 H ILE A 18 8.148 -6.626 -1.991 1.00 0.00 H new ATOM 0 HA ILE A 18 5.901 -7.437 -0.243 1.00 0.00 H new ATOM 0 HB ILE A 18 6.966 -4.651 -0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.061 -4.936 2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.335 -6.607 1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.232 -4.036 1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.483 -4.751 -0.399 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.689 -5.730 1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.476 -5.396 1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.225 -5.917 0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.947 -4.220 0.545 1.00 0.00 H new ATOM 288 N THR A 19 4.171 -6.673 -1.893 1.00 0.00 N ATOM 289 CA THR A 19 3.153 -6.468 -2.914 1.00 0.00 C ATOM 290 C THR A 19 1.912 -5.868 -2.260 1.00 0.00 C ATOM 291 O THR A 19 1.692 -6.034 -1.060 1.00 0.00 O ATOM 292 CB THR A 19 2.828 -7.809 -3.584 1.00 0.00 C ATOM 293 OG1 THR A 19 4.002 -8.386 -4.113 1.00 0.00 O ATOM 294 CG2 THR A 19 1.823 -7.646 -4.722 1.00 0.00 C ATOM 0 H THR A 19 3.793 -7.012 -1.008 1.00 0.00 H new ATOM 0 HA THR A 19 3.513 -5.781 -3.680 1.00 0.00 H new ATOM 0 HB THR A 19 2.395 -8.451 -2.817 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.783 -9.242 -4.537 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.620 -8.619 -5.170 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.896 -7.226 -4.332 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.235 -6.977 -5.478 1.00 0.00 H new ATOM 302 N ILE A 20 1.101 -5.171 -3.055 1.00 0.00 N ATOM 303 CA ILE A 20 -0.115 -4.503 -2.612 1.00 0.00 C ATOM 304 C ILE A 20 -1.208 -4.780 -3.637 1.00 0.00 C ATOM 305 O ILE A 20 -0.921 -4.913 -4.824 1.00 0.00 O ATOM 306 CB ILE A 20 0.143 -2.992 -2.515 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.278 -2.647 -1.539 1.00 0.00 C ATOM 308 CG2 ILE A 20 -1.129 -2.239 -2.115 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.924 -2.943 -0.083 1.00 0.00 C ATOM 0 H ILE A 20 1.280 -5.054 -4.052 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.421 -4.871 -1.633 1.00 0.00 H new ATOM 0 HB ILE A 20 0.453 -2.673 -3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.169 -3.212 -1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.527 -1.591 -1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.916 -1.172 -2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.904 -2.412 -2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.473 -2.596 -1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.766 -2.678 0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.051 -2.358 0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.703 -4.004 0.029 1.00 0.00 H new ATOM 321 N THR A 21 -2.459 -4.867 -3.186 1.00 0.00 N ATOM 322 CA THR A 21 -3.586 -5.128 -4.071 1.00 0.00 C ATOM 323 C THR A 21 -4.799 -4.326 -3.617 1.00 0.00 C ATOM 324 O THR A 21 -4.996 -4.100 -2.423 1.00 0.00 O ATOM 325 CB THR A 21 -3.910 -6.627 -4.060 1.00 0.00 C ATOM 326 OG1 THR A 21 -2.747 -7.376 -4.342 1.00 0.00 O ATOM 327 CG2 THR A 21 -4.958 -6.991 -5.113 1.00 0.00 C ATOM 0 H THR A 21 -2.715 -4.759 -2.205 1.00 0.00 H new ATOM 0 HA THR A 21 -3.326 -4.826 -5.086 1.00 0.00 H new ATOM 0 HB THR A 21 -4.298 -6.858 -3.068 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.529 -7.296 -5.294 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.159 -8.062 -5.072 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.878 -6.441 -4.916 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.585 -6.730 -6.103 1.00 0.00 H new ATOM 335 N ILE A 22 -5.613 -3.891 -4.578 1.00 0.00 N ATOM 336 CA ILE A 22 -6.838 -3.144 -4.330 1.00 0.00 C ATOM 337 C ILE A 22 -8.018 -4.090 -4.566 1.00 0.00 C ATOM 338 O ILE A 22 -8.516 -4.203 -5.685 1.00 0.00 O ATOM 339 CB ILE A 22 -6.842 -1.873 -5.204 1.00 0.00 C ATOM 340 CG1 ILE A 22 -8.200 -1.169 -5.260 1.00 0.00 C ATOM 341 CG2 ILE A 22 -6.389 -2.146 -6.642 1.00 0.00 C ATOM 342 CD1 ILE A 22 -8.764 -0.902 -3.872 1.00 0.00 C ATOM 0 H ILE A 22 -5.433 -4.053 -5.569 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.916 -2.790 -3.302 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.128 -1.215 -4.709 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.097 -0.226 -5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.903 -1.782 -5.825 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.411 -1.218 -7.213 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.374 -2.544 -6.634 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.059 -2.871 -7.103 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.728 -0.401 -3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.893 -1.847 -3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.075 -0.266 -3.315 1.00 0.00 H new ATOM 354 N LEU A 23 -8.464 -4.780 -3.512 1.00 0.00 N ATOM 355 CA LEU A 23 -9.465 -5.831 -3.663 1.00 0.00 C ATOM 356 C LEU A 23 -10.793 -5.288 -4.189 1.00 0.00 C ATOM 357 O LEU A 23 -11.521 -6.017 -4.862 1.00 0.00 O ATOM 358 CB LEU A 23 -9.717 -6.567 -2.341 1.00 0.00 C ATOM 359 CG LEU A 23 -8.490 -7.153 -1.627 1.00 0.00 C ATOM 360 CD1 LEU A 23 -8.949 -8.354 -0.794 1.00 0.00 C ATOM 361 CD2 LEU A 23 -7.390 -7.645 -2.565 1.00 0.00 C ATOM 0 H LEU A 23 -8.149 -4.629 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.057 -6.531 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.210 -5.876 -1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.418 -7.379 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.068 -6.345 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.093 -8.787 -0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.688 -8.028 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.394 -9.103 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.562 -8.043 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.786 -8.429 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.035 -6.815 -3.177 1.00 0.00 H new ATOM 373 N GLY A 24 -11.127 -4.026 -3.893 1.00 0.00 N ATOM 374 CA GLY A 24 -12.374 -3.436 -4.368 1.00 0.00 C ATOM 375 C GLY A 24 -12.791 -2.224 -3.541 1.00 0.00 C ATOM 376 O GLY A 24 -12.016 -1.740 -2.717 1.00 0.00 O ATOM 0 H GLY A 24 -10.551 -3.400 -3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.260 -3.140 -5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.164 -4.186 -4.334 1.00 0.00 H new ATOM 380 N VAL A 25 -14.014 -1.732 -3.756 1.00 0.00 N ATOM 381 CA VAL A 25 -14.541 -0.608 -2.990 1.00 0.00 C ATOM 382 C VAL A 25 -15.980 -0.861 -2.546 1.00 0.00 C ATOM 383 O VAL A 25 -16.673 -1.713 -3.105 1.00 0.00 O ATOM 384 CB VAL A 25 -14.467 0.702 -3.787 1.00 0.00 C ATOM 385 CG1 VAL A 25 -13.078 0.927 -4.382 1.00 0.00 C ATOM 386 CG2 VAL A 25 -15.513 0.737 -4.901 1.00 0.00 C ATOM 0 H VAL A 25 -14.657 -2.099 -4.458 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.914 -0.510 -2.104 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.675 1.506 -3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.068 1.864 -4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.342 0.973 -3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.832 0.104 -5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.433 1.678 -5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.343 -0.094 -5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.509 0.652 -4.467 1.00 0.00 H new ATOM 396 N SER A 26 -16.413 -0.107 -1.535 1.00 0.00 N ATOM 397 CA SER A 26 -17.756 -0.154 -0.982 1.00 0.00 C ATOM 398 C SER A 26 -18.081 1.233 -0.444 1.00 0.00 C ATOM 399 O SER A 26 -17.827 1.527 0.725 1.00 0.00 O ATOM 400 CB SER A 26 -17.836 -1.184 0.146 1.00 0.00 C ATOM 401 OG SER A 26 -17.576 -2.480 -0.352 1.00 0.00 O ATOM 0 H SER A 26 -15.815 0.574 -1.067 1.00 0.00 H new ATOM 0 HA SER A 26 -18.470 -0.447 -1.752 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.116 -0.936 0.926 1.00 0.00 H new ATOM 0 HB3 SER A 26 -18.825 -1.155 0.604 1.00 0.00 H new ATOM 0 HG SER A 26 -17.629 -3.129 0.381 1.00 0.00 H new ATOM 407 N GLY A 27 -18.646 2.103 -1.286 1.00 0.00 N ATOM 408 CA GLY A 27 -18.853 3.486 -0.895 1.00 0.00 C ATOM 409 C GLY A 27 -17.496 4.169 -0.768 1.00 0.00 C ATOM 410 O GLY A 27 -16.643 3.998 -1.639 1.00 0.00 O ATOM 0 H GLY A 27 -18.962 1.872 -2.228 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.466 4.000 -1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.390 3.534 0.052 1.00 0.00 H new ATOM 414 N GLN A 28 -17.282 4.940 0.302 1.00 0.00 N ATOM 415 CA GLN A 28 -15.983 5.560 0.516 1.00 0.00 C ATOM 416 C GLN A 28 -14.978 4.516 0.976 1.00 0.00 C ATOM 417 O GLN A 28 -13.773 4.742 0.874 1.00 0.00 O ATOM 418 CB GLN A 28 -16.040 6.652 1.585 1.00 0.00 C ATOM 419 CG GLN A 28 -16.927 7.827 1.198 1.00 0.00 C ATOM 420 CD GLN A 28 -16.715 8.248 -0.254 1.00 0.00 C ATOM 421 OE1 GLN A 28 -17.644 8.216 -1.057 1.00 0.00 O ATOM 422 NE2 GLN A 28 -15.494 8.640 -0.609 1.00 0.00 N ATOM 0 H GLN A 28 -17.980 5.144 1.018 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.684 6.003 -0.434 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.406 6.220 2.516 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.031 7.016 1.778 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -17.972 7.557 1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.718 8.671 1.855 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.743 8.656 0.081 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.309 8.925 -1.571 1.00 0.00 H new ATOM 431 N GLN A 29 -15.463 3.378 1.480 1.00 0.00 N ATOM 432 CA GLN A 29 -14.574 2.328 1.929 1.00 0.00 C ATOM 433 C GLN A 29 -13.906 1.698 0.714 1.00 0.00 C ATOM 434 O GLN A 29 -14.474 1.659 -0.378 1.00 0.00 O ATOM 435 CB GLN A 29 -15.336 1.279 2.744 1.00 0.00 C ATOM 436 CG GLN A 29 -14.643 1.020 4.086 1.00 0.00 C ATOM 437 CD GLN A 29 -14.846 2.153 5.087 1.00 0.00 C ATOM 438 OE1 GLN A 29 -13.891 2.635 5.684 1.00 0.00 O ATOM 439 NE2 GLN A 29 -16.089 2.585 5.281 1.00 0.00 N ATOM 0 H GLN A 29 -16.456 3.171 1.583 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.811 2.751 2.582 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.357 1.619 2.917 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.401 0.350 2.178 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.024 0.092 4.513 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.576 0.878 3.917 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.862 2.162 4.767 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.269 3.340 5.943 1.00 0.00 H new ATOM 448 N VAL A 30 -12.689 1.203 0.917 1.00 0.00 N ATOM 449 CA VAL A 30 -11.849 0.619 -0.107 1.00 0.00 C ATOM 450 C VAL A 30 -11.188 -0.597 0.523 1.00 0.00 C ATOM 451 O VAL A 30 -10.460 -0.467 1.506 1.00 0.00 O ATOM 452 CB VAL A 30 -10.803 1.654 -0.541 1.00 0.00 C ATOM 453 CG1 VAL A 30 -9.875 1.087 -1.607 1.00 0.00 C ATOM 454 CG2 VAL A 30 -11.478 2.893 -1.128 1.00 0.00 C ATOM 0 H VAL A 30 -12.250 1.201 1.838 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.414 0.325 -0.991 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.232 1.916 0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.145 1.844 -1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.356 0.214 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.459 0.796 -2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.717 3.614 -1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.071 2.607 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.128 3.343 -0.378 1.00 0.00 H new ATOM 464 N ARG A 31 -11.440 -1.784 -0.039 1.00 0.00 N ATOM 465 CA ARG A 31 -10.854 -3.005 0.481 1.00 0.00 C ATOM 466 C ARG A 31 -9.480 -3.173 -0.150 1.00 0.00 C ATOM 467 O ARG A 31 -9.344 -3.098 -1.368 1.00 0.00 O ATOM 468 CB ARG A 31 -11.770 -4.189 0.175 1.00 0.00 C ATOM 469 CG ARG A 31 -11.331 -5.393 1.010 1.00 0.00 C ATOM 470 CD ARG A 31 -12.243 -6.587 0.748 1.00 0.00 C ATOM 471 NE ARG A 31 -11.914 -7.691 1.655 1.00 0.00 N ATOM 472 CZ ARG A 31 -12.013 -8.983 1.339 1.00 0.00 C ATOM 473 NH1 ARG A 31 -12.430 -9.363 0.136 1.00 0.00 N ATOM 474 NH2 ARG A 31 -11.696 -9.913 2.236 1.00 0.00 N ATOM 0 H ARG A 31 -12.044 -1.916 -0.850 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.742 -2.956 1.564 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.805 -3.932 0.402 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.727 -4.432 -0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.301 -5.655 0.768 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.354 -5.136 2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -13.284 -6.294 0.884 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.137 -6.914 -0.286 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.587 -7.455 2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.680 -8.662 -0.562 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.500 -10.355 -0.090 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.377 -9.638 3.165 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.772 -10.901 1.995 1.00 0.00 H new ATOM 488 N ILE A 32 -8.465 -3.400 0.680 1.00 0.00 N ATOM 489 CA ILE A 32 -7.078 -3.409 0.240 1.00 0.00 C ATOM 490 C ILE A 32 -6.378 -4.634 0.814 1.00 0.00 C ATOM 491 O ILE A 32 -6.798 -5.159 1.842 1.00 0.00 O ATOM 492 CB ILE A 32 -6.378 -2.127 0.711 1.00 0.00 C ATOM 493 CG1 ILE A 32 -7.304 -0.909 0.562 1.00 0.00 C ATOM 494 CG2 ILE A 32 -5.081 -1.918 -0.079 1.00 0.00 C ATOM 495 CD1 ILE A 32 -6.605 0.404 0.907 1.00 0.00 C ATOM 0 H ILE A 32 -8.584 -3.583 1.676 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.037 -3.450 -0.848 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.134 -2.234 1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.674 -0.861 -0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.172 -1.035 1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.591 -1.006 0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.417 -2.768 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.312 -1.831 -1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.304 1.231 0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.258 0.371 1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.753 0.548 0.243 1.00 0.00 H new ATOM 507 N GLY A 33 -5.315 -5.085 0.148 1.00 0.00 N ATOM 508 CA GLY A 33 -4.540 -6.227 0.591 1.00 0.00 C ATOM 509 C GLY A 33 -3.053 -5.903 0.539 1.00 0.00 C ATOM 510 O GLY A 33 -2.617 -5.043 -0.226 1.00 0.00 O ATOM 0 H GLY A 33 -4.972 -4.663 -0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.826 -6.498 1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.755 -7.089 -0.041 1.00 0.00 H new ATOM 514 N ILE A 34 -2.283 -6.606 1.372 1.00 0.00 N ATOM 515 CA ILE A 34 -0.854 -6.393 1.525 1.00 0.00 C ATOM 516 C ILE A 34 -0.176 -7.742 1.663 1.00 0.00 C ATOM 517 O ILE A 34 -0.718 -8.650 2.287 1.00 0.00 O ATOM 518 CB ILE A 34 -0.588 -5.553 2.783 1.00 0.00 C ATOM 519 CG1 ILE A 34 -1.384 -4.241 2.751 1.00 0.00 C ATOM 520 CG2 ILE A 34 0.912 -5.271 2.918 1.00 0.00 C ATOM 521 CD1 ILE A 34 -1.278 -3.495 4.081 1.00 0.00 C ATOM 0 H ILE A 34 -2.647 -7.351 1.966 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.462 -5.865 0.656 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.920 -6.121 3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.013 -3.607 1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.431 -4.453 2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.091 -4.675 3.813 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.454 -6.214 2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.260 -4.724 2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.852 -2.570 4.026 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.673 -4.121 4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.233 -3.262 4.285 1.00 0.00 H new ATOM 533 N ASN A 35 1.012 -7.875 1.082 1.00 0.00 N ATOM 534 CA ASN A 35 1.719 -9.141 1.094 1.00 0.00 C ATOM 535 C ASN A 35 3.205 -8.899 1.308 1.00 0.00 C ATOM 536 O ASN A 35 3.898 -8.431 0.411 1.00 0.00 O ATOM 537 CB ASN A 35 1.425 -9.852 -0.224 1.00 0.00 C ATOM 538 CG ASN A 35 1.858 -11.309 -0.210 1.00 0.00 C ATOM 539 OD1 ASN A 35 2.815 -11.681 0.462 1.00 0.00 O ATOM 540 ND2 ASN A 35 1.147 -12.145 -0.959 1.00 0.00 N ATOM 0 H ASN A 35 1.501 -7.121 0.599 1.00 0.00 H new ATOM 0 HA ASN A 35 1.386 -9.776 1.914 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.357 -9.796 -0.433 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.936 -9.333 -1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.390 -13.135 -0.989 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.358 -11.797 -1.504 1.00 0.00 H new ATOM 547 N ALA A 36 3.681 -9.226 2.510 1.00 0.00 N ATOM 548 CA ALA A 36 5.080 -9.109 2.884 1.00 0.00 C ATOM 549 C ALA A 36 5.430 -10.216 3.876 1.00 0.00 C ATOM 550 O ALA A 36 4.545 -10.755 4.540 1.00 0.00 O ATOM 551 CB ALA A 36 5.316 -7.751 3.543 1.00 0.00 C ATOM 0 H ALA A 36 3.090 -9.585 3.260 1.00 0.00 H new ATOM 0 HA ALA A 36 5.705 -9.199 1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.365 -7.661 3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.059 -6.957 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.693 -7.665 4.433 1.00 0.00 H new ATOM 557 N PRO A 37 6.722 -10.557 3.978 1.00 0.00 N ATOM 558 CA PRO A 37 7.209 -11.518 4.946 1.00 0.00 C ATOM 559 C PRO A 37 7.007 -11.012 6.373 1.00 0.00 C ATOM 560 O PRO A 37 6.856 -9.812 6.601 1.00 0.00 O ATOM 561 CB PRO A 37 8.698 -11.672 4.639 1.00 0.00 C ATOM 562 CG PRO A 37 9.075 -10.388 3.911 1.00 0.00 C ATOM 563 CD PRO A 37 7.799 -10.039 3.160 1.00 0.00 C ATOM 0 HA PRO A 37 6.673 -12.465 4.877 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.280 -11.796 5.552 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.886 -12.549 4.020 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.364 -9.599 4.606 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.915 -10.539 3.233 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.706 -8.962 3.022 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.791 -10.489 2.167 1.00 0.00 H new ATOM 571 N LYS A 38 7.008 -11.928 7.345 1.00 0.00 N ATOM 572 CA LYS A 38 6.980 -11.560 8.756 1.00 0.00 C ATOM 573 C LYS A 38 8.316 -10.946 9.162 1.00 0.00 C ATOM 574 O LYS A 38 8.513 -10.559 10.310 1.00 0.00 O ATOM 575 CB LYS A 38 6.612 -12.782 9.599 1.00 0.00 C ATOM 576 CG LYS A 38 5.191 -13.249 9.258 1.00 0.00 C ATOM 577 CD LYS A 38 4.139 -12.233 9.700 1.00 0.00 C ATOM 578 CE LYS A 38 3.816 -12.355 11.189 1.00 0.00 C ATOM 579 NZ LYS A 38 3.121 -13.627 11.477 1.00 0.00 N ATOM 0 H LYS A 38 7.028 -12.934 7.175 1.00 0.00 H new ATOM 0 HA LYS A 38 6.216 -10.803 8.931 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.322 -13.588 9.414 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.678 -12.536 10.659 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.110 -13.412 8.183 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.997 -14.207 9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.496 -11.225 9.488 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.229 -12.377 9.118 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.736 -12.300 11.770 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.192 -11.517 11.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.592 -13.540 12.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.461 -13.845 10.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.820 -14.393 11.563 1.00 0.00 H new ATOM 593 N ASP A 39 9.227 -10.869 8.197 1.00 0.00 N ATOM 594 CA ASP A 39 10.512 -10.206 8.321 1.00 0.00 C ATOM 595 C ASP A 39 10.330 -8.691 8.464 1.00 0.00 C ATOM 596 O ASP A 39 11.278 -7.974 8.788 1.00 0.00 O ATOM 597 CB ASP A 39 11.320 -10.509 7.058 1.00 0.00 C ATOM 598 CG ASP A 39 12.807 -10.218 7.253 1.00 0.00 C ATOM 599 OD1 ASP A 39 13.409 -10.858 8.143 1.00 0.00 O ATOM 600 OD2 ASP A 39 13.330 -9.357 6.511 1.00 0.00 O ATOM 0 H ASP A 39 9.081 -11.283 7.276 1.00 0.00 H new ATOM 0 HA ASP A 39 11.029 -10.568 9.209 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.187 -11.556 6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.938 -9.912 6.230 1.00 0.00 H new ATOM 605 N VAL A 40 9.105 -8.210 8.215 1.00 0.00 N ATOM 606 CA VAL A 40 8.753 -6.797 8.270 1.00 0.00 C ATOM 607 C VAL A 40 7.388 -6.635 8.930 1.00 0.00 C ATOM 608 O VAL A 40 6.670 -7.619 9.133 1.00 0.00 O ATOM 609 CB VAL A 40 8.752 -6.186 6.859 1.00 0.00 C ATOM 610 CG1 VAL A 40 10.075 -6.458 6.145 1.00 0.00 C ATOM 611 CG2 VAL A 40 7.623 -6.743 5.995 1.00 0.00 C ATOM 0 H VAL A 40 8.319 -8.810 7.965 1.00 0.00 H new ATOM 0 HA VAL A 40 9.497 -6.267 8.864 1.00 0.00 H new ATOM 0 HB VAL A 40 8.607 -5.114 6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.049 -6.016 5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.893 -6.019 6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.228 -7.534 6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.660 -6.284 5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.738 -7.823 5.898 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.664 -6.521 6.462 1.00 0.00 H new ATOM 621 N ALA A 41 7.017 -5.400 9.271 1.00 0.00 N ATOM 622 CA ALA A 41 5.778 -5.142 9.979 1.00 0.00 C ATOM 623 C ALA A 41 4.776 -4.413 9.090 1.00 0.00 C ATOM 624 O ALA A 41 5.158 -3.759 8.121 1.00 0.00 O ATOM 625 CB ALA A 41 6.094 -4.320 11.229 1.00 0.00 C ATOM 0 H ALA A 41 7.564 -4.565 9.064 1.00 0.00 H new ATOM 0 HA ALA A 41 5.321 -6.089 10.266 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.172 -4.117 11.774 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.778 -4.878 11.868 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.558 -3.378 10.937 1.00 0.00 H new ATOM 631 N VAL A 42 3.489 -4.530 9.421 1.00 0.00 N ATOM 632 CA VAL A 42 2.429 -3.816 8.720 1.00 0.00 C ATOM 633 C VAL A 42 1.220 -3.665 9.641 1.00 0.00 C ATOM 634 O VAL A 42 0.743 -4.648 10.206 1.00 0.00 O ATOM 635 CB VAL A 42 2.069 -4.547 7.416 1.00 0.00 C ATOM 636 CG1 VAL A 42 2.100 -6.065 7.583 1.00 0.00 C ATOM 637 CG2 VAL A 42 0.681 -4.156 6.902 1.00 0.00 C ATOM 0 H VAL A 42 3.156 -5.122 10.182 1.00 0.00 H new ATOM 0 HA VAL A 42 2.773 -2.818 8.448 1.00 0.00 H new ATOM 0 HB VAL A 42 2.826 -4.242 6.694 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.839 -6.540 6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.100 -6.378 7.883 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.382 -6.362 8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.469 -4.696 5.979 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.069 -4.409 7.651 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.653 -3.084 6.709 1.00 0.00 H new ATOM 647 N HIS A 43 0.733 -2.429 9.791 1.00 0.00 N ATOM 648 CA HIS A 43 -0.421 -2.129 10.629 1.00 0.00 C ATOM 649 C HIS A 43 -1.107 -0.851 10.154 1.00 0.00 C ATOM 650 O HIS A 43 -0.603 -0.165 9.265 1.00 0.00 O ATOM 651 CB HIS A 43 0.007 -1.927 12.088 1.00 0.00 C ATOM 652 CG HIS A 43 1.043 -2.887 12.597 1.00 0.00 C ATOM 653 ND1 HIS A 43 0.782 -4.060 13.311 1.00 0.00 N ATOM 654 CD2 HIS A 43 2.391 -2.750 12.439 1.00 0.00 C ATOM 655 CE1 HIS A 43 1.984 -4.598 13.565 1.00 0.00 C ATOM 656 NE2 HIS A 43 2.964 -3.836 13.057 1.00 0.00 N ATOM 0 H HIS A 43 1.132 -1.610 9.332 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.108 -2.972 10.557 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.391 -0.913 12.198 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.877 -2.004 12.721 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.130 -4.429 13.582 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.905 -1.948 11.930 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.141 -5.520 14.105 1.00 0.00 H new ATOM 664 N ARG A 44 -2.259 -0.526 10.747 1.00 0.00 N ATOM 665 CA ARG A 44 -2.961 0.721 10.469 1.00 0.00 C ATOM 666 C ARG A 44 -2.140 1.860 11.064 1.00 0.00 C ATOM 667 O ARG A 44 -1.364 1.640 11.992 1.00 0.00 O ATOM 668 CB ARG A 44 -4.359 0.647 11.089 1.00 0.00 C ATOM 669 CG ARG A 44 -5.239 1.848 10.732 1.00 0.00 C ATOM 670 CD ARG A 44 -6.574 1.729 11.465 1.00 0.00 C ATOM 671 NE ARG A 44 -7.474 2.840 11.133 1.00 0.00 N ATOM 672 CZ ARG A 44 -8.535 3.182 11.871 1.00 0.00 C ATOM 673 NH1 ARG A 44 -8.814 2.537 13.002 1.00 0.00 N ATOM 674 NH2 ARG A 44 -9.332 4.172 11.488 1.00 0.00 N ATOM 0 H ARG A 44 -2.727 -1.121 11.431 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.077 0.891 9.399 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.850 -0.267 10.756 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.266 0.582 12.173 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.739 2.776 11.011 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.404 1.886 9.655 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.050 0.784 11.204 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.399 1.711 12.541 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.279 3.382 10.291 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.215 1.773 13.314 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.626 2.807 13.556 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.137 4.679 10.624 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.139 4.426 12.057 1.00 0.00 H new ATOM 688 N GLU A 45 -2.307 3.075 10.544 1.00 0.00 N ATOM 689 CA GLU A 45 -1.562 4.216 11.049 1.00 0.00 C ATOM 690 C GLU A 45 -1.826 4.419 12.543 1.00 0.00 C ATOM 691 O GLU A 45 -1.017 5.017 13.245 1.00 0.00 O ATOM 692 CB GLU A 45 -1.939 5.445 10.207 1.00 0.00 C ATOM 693 CG GLU A 45 -0.973 6.623 10.350 1.00 0.00 C ATOM 694 CD GLU A 45 -1.109 7.374 11.669 1.00 0.00 C ATOM 695 OE1 GLU A 45 -2.262 7.632 12.079 1.00 0.00 O ATOM 696 OE2 GLU A 45 -0.053 7.689 12.259 1.00 0.00 O ATOM 0 H GLU A 45 -2.947 3.289 9.779 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.489 4.046 10.956 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.985 5.153 9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.939 5.773 10.491 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.049 6.256 10.255 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.139 7.319 9.528 1.00 0.00 H new ATOM 703 N GLU A 46 -2.967 3.917 13.030 1.00 0.00 N ATOM 704 CA GLU A 46 -3.337 4.004 14.432 1.00 0.00 C ATOM 705 C GLU A 46 -2.420 3.130 15.287 1.00 0.00 C ATOM 706 O GLU A 46 -1.894 3.575 16.305 1.00 0.00 O ATOM 707 CB GLU A 46 -4.781 3.504 14.563 1.00 0.00 C ATOM 708 CG GLU A 46 -5.348 3.706 15.972 1.00 0.00 C ATOM 709 CD GLU A 46 -5.466 5.188 16.336 1.00 0.00 C ATOM 710 OE1 GLU A 46 -6.135 5.919 15.574 1.00 0.00 O ATOM 711 OE2 GLU A 46 -4.883 5.574 17.373 1.00 0.00 O ATOM 0 H GLU A 46 -3.658 3.438 12.452 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.244 5.034 14.776 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.410 4.028 13.843 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.820 2.445 14.308 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.330 3.237 16.038 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.706 3.205 16.696 1.00 0.00 H new ATOM 718 N ILE A 47 -2.227 1.876 14.871 1.00 0.00 N ATOM 719 CA ILE A 47 -1.483 0.898 15.653 1.00 0.00 C ATOM 720 C ILE A 47 0.014 1.159 15.543 1.00 0.00 C ATOM 721 O ILE A 47 0.782 0.800 16.430 1.00 0.00 O ATOM 722 CB ILE A 47 -1.792 -0.505 15.121 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.289 -0.724 14.844 1.00 0.00 C ATOM 724 CG2 ILE A 47 -1.288 -1.566 16.104 1.00 0.00 C ATOM 725 CD1 ILE A 47 -4.192 -0.400 16.033 1.00 0.00 C ATOM 0 H ILE A 47 -2.582 1.516 13.985 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.778 0.978 16.699 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.271 -0.600 14.168 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.586 -0.107 13.996 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.447 -1.763 14.553 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.513 -2.559 15.715 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.210 -1.462 16.231 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.781 -1.433 17.067 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.232 -0.579 15.760 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.924 -1.035 16.877 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.065 0.646 16.312 1.00 0.00 H new ATOM 737 N TYR A 48 0.434 1.790 14.443 1.00 0.00 N ATOM 738 CA TYR A 48 1.832 2.078 14.169 1.00 0.00 C ATOM 739 C TYR A 48 2.437 2.989 15.237 1.00 0.00 C ATOM 740 O TYR A 48 3.640 2.931 15.497 1.00 0.00 O ATOM 741 CB TYR A 48 1.898 2.733 12.794 1.00 0.00 C ATOM 742 CG TYR A 48 3.294 3.032 12.302 1.00 0.00 C ATOM 743 CD1 TYR A 48 4.070 2.016 11.726 1.00 0.00 C ATOM 744 CD2 TYR A 48 3.809 4.332 12.420 1.00 0.00 C ATOM 745 CE1 TYR A 48 5.355 2.297 11.243 1.00 0.00 C ATOM 746 CE2 TYR A 48 5.085 4.626 11.927 1.00 0.00 C ATOM 747 CZ TYR A 48 5.863 3.611 11.329 1.00 0.00 C ATOM 748 OH TYR A 48 7.105 3.893 10.838 1.00 0.00 O ATOM 0 H TYR A 48 -0.200 2.116 13.713 1.00 0.00 H new ATOM 0 HA TYR A 48 2.414 1.157 14.185 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.405 2.081 12.072 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.331 3.663 12.823 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.676 1.013 11.654 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.221 5.105 12.891 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.954 1.511 10.807 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.475 5.630 12.004 1.00 0.00 H new ATOM 0 HH TYR A 48 7.303 4.843 10.975 1.00 0.00 H new ATOM 1211 N MET C 1 0.273 -12.291 4.511 1.00 0.00 N ATOM 1212 CA MET C 1 -0.826 -11.617 3.791 1.00 0.00 C ATOM 1213 C MET C 1 -1.736 -10.893 4.770 1.00 0.00 C ATOM 1214 O MET C 1 -2.059 -11.447 5.815 1.00 0.00 O ATOM 1215 CB MET C 1 -1.640 -12.636 2.986 1.00 0.00 C ATOM 1216 CG MET C 1 -2.736 -11.956 2.172 1.00 0.00 C ATOM 1217 SD MET C 1 -2.138 -10.873 0.856 1.00 0.00 S ATOM 1218 CE MET C 1 -3.742 -10.202 0.367 1.00 0.00 C ATOM 0 H1 MET C 1 0.382 -13.260 4.150 1.00 0.00 H new ATOM 0 H2 MET C 1 1.158 -11.765 4.364 1.00 0.00 H new ATOM 0 H3 MET C 1 0.054 -12.323 5.527 1.00 0.00 H new ATOM 0 HA MET C 1 -0.391 -10.889 3.106 1.00 0.00 H new ATOM 0 HB2 MET C 1 -0.978 -13.187 2.318 1.00 0.00 H new ATOM 0 HB3 MET C 1 -2.087 -13.364 3.664 1.00 0.00 H new ATOM 0 HG2 MET C 1 -3.372 -12.724 1.731 1.00 0.00 H new ATOM 0 HG3 MET C 1 -3.362 -11.373 2.847 1.00 0.00 H new ATOM 0 HE1 MET C 1 -3.655 -9.727 -0.610 1.00 0.00 H new ATOM 0 HE2 MET C 1 -4.473 -11.009 0.314 1.00 0.00 H new ATOM 0 HE3 MET C 1 -4.067 -9.465 1.101 1.00 0.00 H new ATOM 1230 N LEU C 2 -2.154 -9.669 4.449 1.00 0.00 N ATOM 1231 CA LEU C 2 -3.108 -8.934 5.260 1.00 0.00 C ATOM 1232 C LEU C 2 -4.133 -8.259 4.359 1.00 0.00 C ATOM 1233 O LEU C 2 -3.842 -7.956 3.205 1.00 0.00 O ATOM 1234 CB LEU C 2 -2.366 -7.886 6.093 1.00 0.00 C ATOM 1235 CG LEU C 2 -2.159 -8.328 7.542 1.00 0.00 C ATOM 1236 CD1 LEU C 2 -1.334 -7.273 8.273 1.00 0.00 C ATOM 1237 CD2 LEU C 2 -3.497 -8.478 8.264 1.00 0.00 C ATOM 0 H LEU C 2 -1.838 -9.165 3.620 1.00 0.00 H new ATOM 0 HA LEU C 2 -3.626 -9.621 5.930 1.00 0.00 H new ATOM 0 HB2 LEU C 2 -1.397 -7.683 5.637 1.00 0.00 H new ATOM 0 HB3 LEU C 2 -2.927 -6.951 6.078 1.00 0.00 H new ATOM 0 HG LEU C 2 -1.646 -9.290 7.538 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -1.183 -7.582 9.307 1.00 0.00 H new ATOM 0 HD12 LEU C 2 -0.367 -7.163 7.782 1.00 0.00 H new ATOM 0 HD13 LEU C 2 -1.862 -6.320 8.253 1.00 0.00 H new ATOM 0 HD21 LEU C 2 -3.322 -8.793 9.293 1.00 0.00 H new ATOM 0 HD22 LEU C 2 -4.021 -7.522 8.261 1.00 0.00 H new ATOM 0 HD23 LEU C 2 -4.104 -9.226 7.754 1.00 0.00 H new ATOM 1249 N ILE C 3 -5.334 -8.025 4.892 1.00 0.00 N ATOM 1250 CA ILE C 3 -6.408 -7.354 4.179 1.00 0.00 C ATOM 1251 C ILE C 3 -7.090 -6.384 5.139 1.00 0.00 C ATOM 1252 O ILE C 3 -7.189 -6.655 6.334 1.00 0.00 O ATOM 1253 CB ILE C 3 -7.406 -8.377 3.610 1.00 0.00 C ATOM 1254 CG1 ILE C 3 -6.762 -9.239 2.527 1.00 0.00 C ATOM 1255 CG2 ILE C 3 -8.594 -7.704 2.923 1.00 0.00 C ATOM 1256 CD1 ILE C 3 -6.153 -10.513 3.096 1.00 0.00 C ATOM 0 H ILE C 3 -5.585 -8.301 5.841 1.00 0.00 H new ATOM 0 HA ILE C 3 -6.005 -6.799 3.332 1.00 0.00 H new ATOM 0 HB ILE C 3 -7.726 -8.966 4.470 1.00 0.00 H new ATOM 0 HG12 ILE C 3 -7.510 -9.498 1.778 1.00 0.00 H new ATOM 0 HG13 ILE C 3 -5.988 -8.664 2.019 1.00 0.00 H new ATOM 0 HG21 ILE C 3 -9.271 -8.466 2.537 1.00 0.00 H new ATOM 0 HG22 ILE C 3 -9.123 -7.079 3.642 1.00 0.00 H new ATOM 0 HG23 ILE C 3 -8.236 -7.086 2.099 1.00 0.00 H new ATOM 0 HD11 ILE C 3 -5.707 -11.095 2.289 1.00 0.00 H new ATOM 0 HD12 ILE C 3 -5.385 -10.255 3.825 1.00 0.00 H new ATOM 0 HD13 ILE C 3 -6.931 -11.103 3.581 1.00 0.00 H new ATOM 1268 N LEU C 4 -7.557 -5.254 4.603 1.00 0.00 N ATOM 1269 CA LEU C 4 -8.168 -4.182 5.376 1.00 0.00 C ATOM 1270 C LEU C 4 -9.276 -3.530 4.560 1.00 0.00 C ATOM 1271 O LEU C 4 -9.378 -3.761 3.356 1.00 0.00 O ATOM 1272 CB LEU C 4 -7.115 -3.115 5.692 1.00 0.00 C ATOM 1273 CG LEU C 4 -5.954 -3.604 6.559 1.00 0.00 C ATOM 1274 CD1 LEU C 4 -4.971 -2.446 6.700 1.00 0.00 C ATOM 1275 CD2 LEU C 4 -6.415 -3.997 7.958 1.00 0.00 C ATOM 0 H LEU C 4 -7.518 -5.060 3.602 1.00 0.00 H new ATOM 0 HA LEU C 4 -8.574 -4.598 6.298 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -6.714 -2.730 4.754 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -7.602 -2.281 6.197 1.00 0.00 H new ATOM 0 HG LEU C 4 -5.509 -4.480 6.086 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -4.127 -2.758 7.314 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -4.613 -2.151 5.714 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -5.470 -1.600 7.173 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -5.559 -4.338 8.541 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -6.867 -3.134 8.448 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -7.149 -4.800 7.887 1.00 0.00 H new ATOM 1287 N THR C 5 -10.106 -2.714 5.215 1.00 0.00 N ATOM 1288 CA THR C 5 -11.138 -1.954 4.524 1.00 0.00 C ATOM 1289 C THR C 5 -11.166 -0.534 5.084 1.00 0.00 C ATOM 1290 O THR C 5 -11.877 -0.249 6.046 1.00 0.00 O ATOM 1291 CB THR C 5 -12.505 -2.642 4.633 1.00 0.00 C ATOM 1292 OG1 THR C 5 -12.361 -4.045 4.627 1.00 0.00 O ATOM 1293 CG2 THR C 5 -13.368 -2.260 3.431 1.00 0.00 C ATOM 0 H THR C 5 -10.079 -2.566 6.224 1.00 0.00 H new ATOM 0 HA THR C 5 -10.904 -1.907 3.460 1.00 0.00 H new ATOM 0 HB THR C 5 -12.969 -2.321 5.566 1.00 0.00 H new ATOM 0 HG1 THR C 5 -13.244 -4.465 4.699 1.00 0.00 H new ATOM 0 HG21 THR C 5 -14.339 -2.749 3.510 1.00 0.00 H new ATOM 0 HG22 THR C 5 -13.507 -1.179 3.412 1.00 0.00 H new ATOM 0 HG23 THR C 5 -12.874 -2.579 2.513 1.00 0.00 H new ATOM 1301 N ARG C 6 -10.377 0.352 4.468 1.00 0.00 N ATOM 1302 CA ARG C 6 -10.178 1.733 4.894 1.00 0.00 C ATOM 1303 C ARG C 6 -10.947 2.667 3.972 1.00 0.00 C ATOM 1304 O ARG C 6 -11.388 2.232 2.913 1.00 0.00 O ATOM 1305 CB ARG C 6 -8.678 2.051 4.792 1.00 0.00 C ATOM 1306 CG ARG C 6 -7.844 1.195 5.751 1.00 0.00 C ATOM 1307 CD ARG C 6 -7.657 1.889 7.100 1.00 0.00 C ATOM 1308 NE ARG C 6 -8.920 2.432 7.602 1.00 0.00 N ATOM 1309 CZ ARG C 6 -9.609 1.973 8.650 1.00 0.00 C ATOM 1310 NH1 ARG C 6 -9.176 0.938 9.366 1.00 0.00 N ATOM 1311 NH2 ARG C 6 -10.749 2.559 8.985 1.00 0.00 N ATOM 0 H ARG C 6 -9.843 0.115 3.632 1.00 0.00 H new ATOM 0 HA ARG C 6 -10.532 1.866 5.916 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -8.340 1.883 3.769 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -8.515 3.106 5.012 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -8.333 0.232 5.900 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -6.870 0.992 5.306 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -7.252 1.180 7.822 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -6.928 2.693 6.999 1.00 0.00 H new ATOM 0 HE ARG C 6 -9.309 3.234 7.106 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -8.300 0.477 9.118 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -9.720 0.606 10.162 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -11.093 3.353 8.444 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -11.283 2.216 9.784 1.00 0.00 H new ATOM 1325 N LYS C 7 -11.124 3.937 4.343 1.00 0.00 N ATOM 1326 CA LYS C 7 -11.790 4.885 3.450 1.00 0.00 C ATOM 1327 C LYS C 7 -10.926 6.110 3.189 1.00 0.00 C ATOM 1328 O LYS C 7 -9.893 6.303 3.822 1.00 0.00 O ATOM 1329 CB LYS C 7 -13.194 5.270 3.927 1.00 0.00 C ATOM 1330 CG LYS C 7 -13.208 5.953 5.292 1.00 0.00 C ATOM 1331 CD LYS C 7 -14.639 6.409 5.576 1.00 0.00 C ATOM 1332 CE LYS C 7 -14.674 7.336 6.789 1.00 0.00 C ATOM 1333 NZ LYS C 7 -16.060 7.680 7.162 1.00 0.00 N ATOM 0 H LYS C 7 -10.822 4.326 5.236 1.00 0.00 H new ATOM 0 HA LYS C 7 -11.925 4.368 2.500 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -13.649 5.935 3.193 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -13.812 4.373 3.972 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -12.866 5.266 6.066 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -12.528 6.805 5.299 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -15.042 6.925 4.705 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -15.275 5.542 5.755 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -14.177 6.855 7.631 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -14.118 8.247 6.569 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -16.051 8.311 7.989 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -16.525 8.161 6.365 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -16.583 6.811 7.395 1.00 0.00 H new ATOM 1347 N VAL C 8 -11.375 6.933 2.242 1.00 0.00 N ATOM 1348 CA VAL C 8 -10.574 8.033 1.731 1.00 0.00 C ATOM 1349 C VAL C 8 -10.121 8.982 2.834 1.00 0.00 C ATOM 1350 O VAL C 8 -10.919 9.398 3.674 1.00 0.00 O ATOM 1351 CB VAL C 8 -11.294 8.752 0.587 1.00 0.00 C ATOM 1352 CG1 VAL C 8 -11.762 7.720 -0.440 1.00 0.00 C ATOM 1353 CG2 VAL C 8 -12.514 9.565 1.013 1.00 0.00 C ATOM 0 H VAL C 8 -12.297 6.853 1.814 1.00 0.00 H new ATOM 0 HA VAL C 8 -9.659 7.609 1.316 1.00 0.00 H new ATOM 0 HB VAL C 8 -10.566 9.454 0.180 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -12.276 8.227 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -10.900 7.180 -0.832 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -12.444 7.016 0.036 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -12.959 10.038 0.138 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -13.245 8.906 1.481 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -12.210 10.332 1.725 1.00 0.00 H new ATOM 1363 N GLY C 9 -8.828 9.313 2.813 1.00 0.00 N ATOM 1364 CA GLY C 9 -8.218 10.236 3.760 1.00 0.00 C ATOM 1365 C GLY C 9 -7.407 9.509 4.836 1.00 0.00 C ATOM 1366 O GLY C 9 -6.615 10.143 5.532 1.00 0.00 O ATOM 0 H GLY C 9 -8.171 8.940 2.128 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -7.569 10.928 3.223 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -8.996 10.833 4.235 1.00 0.00 H new ATOM 1370 N GLU C 10 -7.592 8.193 4.984 1.00 0.00 N ATOM 1371 CA GLU C 10 -6.878 7.409 5.987 1.00 0.00 C ATOM 1372 C GLU C 10 -5.518 6.937 5.470 1.00 0.00 C ATOM 1373 O GLU C 10 -5.157 7.186 4.319 1.00 0.00 O ATOM 1374 CB GLU C 10 -7.727 6.211 6.408 1.00 0.00 C ATOM 1375 CG GLU C 10 -9.012 6.683 7.086 1.00 0.00 C ATOM 1376 CD GLU C 10 -9.725 5.507 7.745 1.00 0.00 C ATOM 1377 OE1 GLU C 10 -10.357 4.719 7.006 1.00 0.00 O ATOM 1378 OE2 GLU C 10 -9.631 5.405 8.989 1.00 0.00 O ATOM 0 H GLU C 10 -8.238 7.647 4.413 1.00 0.00 H new ATOM 0 HA GLU C 10 -6.698 8.049 6.851 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -7.970 5.604 5.536 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -7.160 5.577 7.089 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -8.779 7.441 7.834 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -9.668 7.150 6.352 1.00 0.00 H new ATOM 1385 N SER C 11 -4.764 6.248 6.335 1.00 0.00 N ATOM 1386 CA SER C 11 -3.416 5.791 6.028 1.00 0.00 C ATOM 1387 C SER C 11 -3.117 4.453 6.698 1.00 0.00 C ATOM 1388 O SER C 11 -3.824 4.039 7.617 1.00 0.00 O ATOM 1389 CB SER C 11 -2.397 6.823 6.517 1.00 0.00 C ATOM 1390 OG SER C 11 -2.581 8.050 5.846 1.00 0.00 O ATOM 0 H SER C 11 -5.080 5.994 7.271 1.00 0.00 H new ATOM 0 HA SER C 11 -3.345 5.667 4.947 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.505 6.969 7.592 1.00 0.00 H new ATOM 0 HB3 SER C 11 -1.386 6.455 6.345 1.00 0.00 H new ATOM 0 HG SER C 11 -2.044 8.058 5.026 1.00 0.00 H new ATOM 1396 N ILE C 12 -2.059 3.791 6.219 1.00 0.00 N ATOM 1397 CA ILE C 12 -1.589 2.481 6.669 1.00 0.00 C ATOM 1398 C ILE C 12 -0.055 2.526 6.662 1.00 0.00 C ATOM 1399 O ILE C 12 0.521 3.440 6.072 1.00 0.00 O ATOM 1400 CB ILE C 12 -2.145 1.400 5.717 1.00 0.00 C ATOM 1401 CG1 ILE C 12 -3.683 1.380 5.710 1.00 0.00 C ATOM 1402 CG2 ILE C 12 -1.633 -0.004 6.069 1.00 0.00 C ATOM 1403 CD1 ILE C 12 -4.281 0.974 7.056 1.00 0.00 C ATOM 0 H ILE C 12 -1.481 4.174 5.471 1.00 0.00 H new ATOM 0 HA ILE C 12 -1.933 2.238 7.674 1.00 0.00 H new ATOM 0 HB ILE C 12 -1.784 1.668 4.724 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -4.052 2.369 5.438 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -4.028 0.688 4.942 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.052 -0.729 5.371 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -0.545 -0.022 6.002 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -1.938 -0.259 7.084 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -5.369 0.979 6.987 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -3.938 -0.027 7.319 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -3.963 1.680 7.823 1.00 0.00 H new ATOM 1415 N ASN C 13 0.624 1.565 7.296 1.00 0.00 N ATOM 1416 CA ASN C 13 2.076 1.602 7.410 1.00 0.00 C ATOM 1417 C ASN C 13 2.711 0.235 7.178 1.00 0.00 C ATOM 1418 O ASN C 13 2.079 -0.799 7.382 1.00 0.00 O ATOM 1419 CB ASN C 13 2.460 2.119 8.796 1.00 0.00 C ATOM 1420 CG ASN C 13 2.221 3.617 8.915 1.00 0.00 C ATOM 1421 OD1 ASN C 13 1.120 4.057 9.228 1.00 0.00 O ATOM 1422 ND2 ASN C 13 3.259 4.409 8.667 1.00 0.00 N ATOM 0 H ASN C 13 0.187 0.755 7.736 1.00 0.00 H new ATOM 0 HA ASN C 13 2.453 2.270 6.635 1.00 0.00 H new ATOM 0 HB2 ASN C 13 1.880 1.595 9.555 1.00 0.00 H new ATOM 0 HB3 ASN C 13 3.510 1.900 8.990 1.00 0.00 H new ATOM 0 HD21 ASN C 13 3.156 5.421 8.734 1.00 0.00 H new ATOM 0 HD22 ASN C 13 4.159 4.004 8.409 1.00 0.00 H new ATOM 1429 N ILE C 14 3.975 0.255 6.746 1.00 0.00 N ATOM 1430 CA ILE C 14 4.768 -0.938 6.492 1.00 0.00 C ATOM 1431 C ILE C 14 6.201 -0.681 6.961 1.00 0.00 C ATOM 1432 O ILE C 14 6.686 0.451 6.905 1.00 0.00 O ATOM 1433 CB ILE C 14 4.739 -1.287 4.993 1.00 0.00 C ATOM 1434 CG1 ILE C 14 3.288 -1.419 4.505 1.00 0.00 C ATOM 1435 CG2 ILE C 14 5.505 -2.593 4.742 1.00 0.00 C ATOM 1436 CD1 ILE C 14 3.197 -1.770 3.019 1.00 0.00 C ATOM 0 H ILE C 14 4.480 1.121 6.561 1.00 0.00 H new ATOM 0 HA ILE C 14 4.353 -1.784 7.040 1.00 0.00 H new ATOM 0 HB ILE C 14 5.221 -0.484 4.436 1.00 0.00 H new ATOM 0 HG12 ILE C 14 2.781 -2.188 5.088 1.00 0.00 H new ATOM 0 HG13 ILE C 14 2.761 -0.482 4.686 1.00 0.00 H new ATOM 0 HG21 ILE C 14 5.479 -2.832 3.679 1.00 0.00 H new ATOM 0 HG22 ILE C 14 6.540 -2.475 5.062 1.00 0.00 H new ATOM 0 HG23 ILE C 14 5.041 -3.401 5.307 1.00 0.00 H new ATOM 0 HD11 ILE C 14 2.150 -1.851 2.728 1.00 0.00 H new ATOM 0 HD12 ILE C 14 3.678 -0.989 2.430 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.698 -2.721 2.838 1.00 0.00 H new ATOM 1448 N GLY C 15 6.882 -1.734 7.423 1.00 0.00 N ATOM 1449 CA GLY C 15 8.239 -1.622 7.916 1.00 0.00 C ATOM 1450 C GLY C 15 8.332 -0.571 9.016 1.00 0.00 C ATOM 1451 O GLY C 15 7.439 -0.457 9.856 1.00 0.00 O ATOM 0 H GLY C 15 6.502 -2.680 7.462 1.00 0.00 H new ATOM 0 HA2 GLY C 15 8.572 -2.586 8.300 1.00 0.00 H new ATOM 0 HA3 GLY C 15 8.907 -1.357 7.097 1.00 0.00 H new ATOM 1455 N ASP C 16 9.421 0.199 9.001 1.00 0.00 N ATOM 1456 CA ASP C 16 9.649 1.297 9.931 1.00 0.00 C ATOM 1457 C ASP C 16 10.041 2.554 9.156 1.00 0.00 C ATOM 1458 O ASP C 16 10.470 3.547 9.745 1.00 0.00 O ATOM 1459 CB ASP C 16 10.725 0.905 10.947 1.00 0.00 C ATOM 1460 CG ASP C 16 10.297 -0.301 11.781 1.00 0.00 C ATOM 1461 OD1 ASP C 16 9.613 -0.084 12.808 1.00 0.00 O ATOM 1462 OD2 ASP C 16 10.656 -1.432 11.383 1.00 0.00 O ATOM 0 H ASP C 16 10.179 0.072 8.330 1.00 0.00 H new ATOM 0 HA ASP C 16 8.733 1.510 10.481 1.00 0.00 H new ATOM 0 HB2 ASP C 16 11.654 0.676 10.424 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.930 1.749 11.605 1.00 0.00 H new ATOM 1467 N ASP C 17 9.897 2.514 7.824 1.00 0.00 N ATOM 1468 CA ASP C 17 10.260 3.618 6.946 1.00 0.00 C ATOM 1469 C ASP C 17 9.270 3.772 5.789 1.00 0.00 C ATOM 1470 O ASP C 17 9.552 4.521 4.856 1.00 0.00 O ATOM 1471 CB ASP C 17 11.677 3.409 6.391 1.00 0.00 C ATOM 1472 CG ASP C 17 12.714 3.281 7.505 1.00 0.00 C ATOM 1473 OD1 ASP C 17 13.174 4.340 7.990 1.00 0.00 O ATOM 1474 OD2 ASP C 17 13.037 2.127 7.865 1.00 0.00 O ATOM 0 H ASP C 17 9.522 1.705 7.329 1.00 0.00 H new ATOM 0 HA ASP C 17 10.230 4.532 7.539 1.00 0.00 H new ATOM 0 HB2 ASP C 17 11.696 2.511 5.773 1.00 0.00 H new ATOM 0 HB3 ASP C 17 11.940 4.246 5.745 1.00 0.00 H new ATOM 1479 N ILE C 18 8.117 3.088 5.829 1.00 0.00 N ATOM 1480 CA ILE C 18 7.144 3.182 4.748 1.00 0.00 C ATOM 1481 C ILE C 18 5.758 3.506 5.300 1.00 0.00 C ATOM 1482 O ILE C 18 5.395 3.092 6.401 1.00 0.00 O ATOM 1483 CB ILE C 18 7.113 1.886 3.920 1.00 0.00 C ATOM 1484 CG1 ILE C 18 8.496 1.508 3.379 1.00 0.00 C ATOM 1485 CG2 ILE C 18 6.160 2.053 2.732 1.00 0.00 C ATOM 1486 CD1 ILE C 18 9.207 0.539 4.324 1.00 0.00 C ATOM 0 H ILE C 18 7.844 2.471 6.594 1.00 0.00 H new ATOM 0 HA ILE C 18 7.448 3.994 4.088 1.00 0.00 H new ATOM 0 HB ILE C 18 6.774 1.092 4.585 1.00 0.00 H new ATOM 0 HG12 ILE C 18 8.393 1.052 2.394 1.00 0.00 H new ATOM 0 HG13 ILE C 18 9.099 2.407 3.253 1.00 0.00 H new ATOM 0 HG21 ILE C 18 6.141 1.133 2.148 1.00 0.00 H new ATOM 0 HG22 ILE C 18 5.157 2.271 3.098 1.00 0.00 H new ATOM 0 HG23 ILE C 18 6.503 2.874 2.103 1.00 0.00 H new ATOM 0 HD11 ILE C 18 10.186 0.287 3.917 1.00 0.00 H new ATOM 0 HD12 ILE C 18 9.330 1.007 5.301 1.00 0.00 H new ATOM 0 HD13 ILE C 18 8.613 -0.369 4.429 1.00 0.00 H new ATOM 1498 N THR C 19 4.984 4.254 4.510 1.00 0.00 N ATOM 1499 CA THR C 19 3.614 4.625 4.830 1.00 0.00 C ATOM 1500 C THR C 19 2.795 4.560 3.543 1.00 0.00 C ATOM 1501 O THR C 19 3.347 4.651 2.446 1.00 0.00 O ATOM 1502 CB THR C 19 3.589 6.034 5.432 1.00 0.00 C ATOM 1503 OG1 THR C 19 4.472 6.120 6.527 1.00 0.00 O ATOM 1504 CG2 THR C 19 2.195 6.423 5.919 1.00 0.00 C ATOM 0 H THR C 19 5.303 4.623 3.614 1.00 0.00 H new ATOM 0 HA THR C 19 3.187 3.943 5.565 1.00 0.00 H new ATOM 0 HB THR C 19 3.894 6.716 4.638 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.445 7.026 6.899 1.00 0.00 H new ATOM 0 HG21 THR C 19 2.224 7.429 6.338 1.00 0.00 H new ATOM 0 HG22 THR C 19 1.497 6.398 5.082 1.00 0.00 H new ATOM 0 HG23 THR C 19 1.868 5.720 6.685 1.00 0.00 H new ATOM 1512 N ILE C 20 1.478 4.403 3.677 1.00 0.00 N ATOM 1513 CA ILE C 20 0.554 4.297 2.561 1.00 0.00 C ATOM 1514 C ILE C 20 -0.645 5.187 2.868 1.00 0.00 C ATOM 1515 O ILE C 20 -1.013 5.350 4.029 1.00 0.00 O ATOM 1516 CB ILE C 20 0.103 2.835 2.410 1.00 0.00 C ATOM 1517 CG1 ILE C 20 1.281 1.878 2.179 1.00 0.00 C ATOM 1518 CG2 ILE C 20 -0.913 2.696 1.273 1.00 0.00 C ATOM 1519 CD1 ILE C 20 1.952 2.074 0.822 1.00 0.00 C ATOM 0 H ILE C 20 1.020 4.345 4.586 1.00 0.00 H new ATOM 0 HA ILE C 20 1.028 4.611 1.631 1.00 0.00 H new ATOM 0 HB ILE C 20 -0.368 2.554 3.352 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.020 2.023 2.968 1.00 0.00 H new ATOM 0 HG13 ILE C 20 0.928 0.850 2.258 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -1.219 1.654 1.184 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.786 3.313 1.487 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.459 3.022 0.337 1.00 0.00 H new ATOM 0 HD11 ILE C 20 2.777 1.369 0.719 1.00 0.00 H new ATOM 0 HD12 ILE C 20 1.225 1.901 0.028 1.00 0.00 H new ATOM 0 HD13 ILE C 20 2.334 3.092 0.749 1.00 0.00 H new ATOM 1531 N THR C 21 -1.261 5.763 1.832 1.00 0.00 N ATOM 1532 CA THR C 21 -2.399 6.653 2.010 1.00 0.00 C ATOM 1533 C THR C 21 -3.398 6.462 0.878 1.00 0.00 C ATOM 1534 O THR C 21 -3.011 6.204 -0.260 1.00 0.00 O ATOM 1535 CB THR C 21 -1.909 8.104 2.047 1.00 0.00 C ATOM 1536 OG1 THR C 21 -0.874 8.248 2.995 1.00 0.00 O ATOM 1537 CG2 THR C 21 -3.030 9.069 2.435 1.00 0.00 C ATOM 0 H THR C 21 -0.985 5.625 0.860 1.00 0.00 H new ATOM 0 HA THR C 21 -2.897 6.418 2.951 1.00 0.00 H new ATOM 0 HB THR C 21 -1.554 8.342 1.044 1.00 0.00 H new ATOM 0 HG1 THR C 21 -0.569 9.179 3.008 1.00 0.00 H new ATOM 0 HG21 THR C 21 -2.644 10.088 2.450 1.00 0.00 H new ATOM 0 HG22 THR C 21 -3.839 8.998 1.708 1.00 0.00 H new ATOM 0 HG23 THR C 21 -3.408 8.809 3.424 1.00 0.00 H new ATOM 1545 N ILE C 22 -4.686 6.591 1.195 1.00 0.00 N ATOM 1546 CA ILE C 22 -5.770 6.498 0.229 1.00 0.00 C ATOM 1547 C ILE C 22 -6.305 7.911 -0.014 1.00 0.00 C ATOM 1548 O ILE C 22 -7.140 8.402 0.742 1.00 0.00 O ATOM 1549 CB ILE C 22 -6.829 5.498 0.723 1.00 0.00 C ATOM 1550 CG1 ILE C 22 -8.137 5.569 -0.068 1.00 0.00 C ATOM 1551 CG2 ILE C 22 -7.169 5.688 2.206 1.00 0.00 C ATOM 1552 CD1 ILE C 22 -7.908 5.429 -1.565 1.00 0.00 C ATOM 0 H ILE C 22 -5.006 6.766 2.147 1.00 0.00 H new ATOM 0 HA ILE C 22 -5.430 6.107 -0.730 1.00 0.00 H new ATOM 0 HB ILE C 22 -6.368 4.522 0.570 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -8.809 4.780 0.271 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -8.632 6.518 0.135 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -7.921 4.957 2.503 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -6.270 5.548 2.806 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -7.558 6.694 2.364 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -8.864 5.485 -2.086 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -7.258 6.233 -1.910 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -7.438 4.468 -1.773 1.00 0.00 H new ATOM 1564 N LEU C 23 -5.823 8.574 -1.070 1.00 0.00 N ATOM 1565 CA LEU C 23 -6.152 9.972 -1.301 1.00 0.00 C ATOM 1566 C LEU C 23 -7.624 10.147 -1.679 1.00 0.00 C ATOM 1567 O LEU C 23 -8.204 11.198 -1.405 1.00 0.00 O ATOM 1568 CB LEU C 23 -5.271 10.569 -2.406 1.00 0.00 C ATOM 1569 CG LEU C 23 -3.777 10.215 -2.330 1.00 0.00 C ATOM 1570 CD1 LEU C 23 -3.024 11.029 -3.383 1.00 0.00 C ATOM 1571 CD2 LEU C 23 -3.160 10.529 -0.974 1.00 0.00 C ATOM 0 H LEU C 23 -5.207 8.162 -1.771 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.965 10.501 -0.366 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.656 10.238 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -5.371 11.654 -2.378 1.00 0.00 H new ATOM 0 HG LEU C 23 -3.695 9.141 -2.499 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -1.962 10.787 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -3.411 10.789 -4.373 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -3.162 12.092 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -2.104 10.257 -0.983 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -3.259 11.595 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.675 9.960 -0.200 1.00 0.00 H new ATOM 1583 N GLY C 24 -8.235 9.134 -2.303 1.00 0.00 N ATOM 1584 CA GLY C 24 -9.648 9.198 -2.664 1.00 0.00 C ATOM 1585 C GLY C 24 -10.028 8.191 -3.746 1.00 0.00 C ATOM 1586 O GLY C 24 -9.211 7.355 -4.134 1.00 0.00 O ATOM 0 H GLY C 24 -7.772 8.264 -2.566 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -10.254 9.016 -1.776 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -9.884 10.204 -3.011 1.00 0.00 H new ATOM 1590 N VAL C 25 -11.271 8.265 -4.235 1.00 0.00 N ATOM 1591 CA VAL C 25 -11.755 7.368 -5.284 1.00 0.00 C ATOM 1592 C VAL C 25 -12.493 8.133 -6.381 1.00 0.00 C ATOM 1593 O VAL C 25 -12.926 9.269 -6.185 1.00 0.00 O ATOM 1594 CB VAL C 25 -12.678 6.284 -4.708 1.00 0.00 C ATOM 1595 CG1 VAL C 25 -12.066 5.609 -3.485 1.00 0.00 C ATOM 1596 CG2 VAL C 25 -14.050 6.847 -4.333 1.00 0.00 C ATOM 0 H VAL C 25 -11.963 8.943 -3.916 1.00 0.00 H new ATOM 0 HA VAL C 25 -10.877 6.892 -5.720 1.00 0.00 H new ATOM 0 HB VAL C 25 -12.802 5.543 -5.497 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -12.750 4.849 -3.108 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -11.121 5.141 -3.762 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -11.888 6.354 -2.709 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -14.673 6.049 -3.930 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -13.930 7.628 -3.582 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -14.526 7.266 -5.220 1.00 0.00 H new ATOM 1606 N SER C 26 -12.630 7.486 -7.542 1.00 0.00 N ATOM 1607 CA SER C 26 -13.355 8.000 -8.698 1.00 0.00 C ATOM 1608 C SER C 26 -13.924 6.817 -9.478 1.00 0.00 C ATOM 1609 O SER C 26 -13.273 6.296 -10.383 1.00 0.00 O ATOM 1610 CB SER C 26 -12.415 8.807 -9.595 1.00 0.00 C ATOM 1611 OG SER C 26 -11.901 9.930 -8.908 1.00 0.00 O ATOM 0 H SER C 26 -12.226 6.563 -7.704 1.00 0.00 H new ATOM 0 HA SER C 26 -14.161 8.654 -8.366 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.594 8.174 -9.930 1.00 0.00 H new ATOM 0 HB3 SER C 26 -12.949 9.135 -10.487 1.00 0.00 H new ATOM 0 HG SER C 26 -11.301 10.430 -9.501 1.00 0.00 H new ATOM 1617 N GLY C 27 -15.140 6.386 -9.133 1.00 0.00 N ATOM 1618 CA GLY C 27 -15.764 5.240 -9.778 1.00 0.00 C ATOM 1619 C GLY C 27 -15.083 3.949 -9.334 1.00 0.00 C ATOM 1620 O GLY C 27 -15.325 3.482 -8.222 1.00 0.00 O ATOM 0 H GLY C 27 -15.710 6.819 -8.407 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -16.824 5.205 -9.527 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -15.696 5.342 -10.861 1.00 0.00 H new ATOM 1624 N GLN C 28 -14.228 3.380 -10.195 1.00 0.00 N ATOM 1625 CA GLN C 28 -13.430 2.216 -9.825 1.00 0.00 C ATOM 1626 C GLN C 28 -11.984 2.630 -9.624 1.00 0.00 C ATOM 1627 O GLN C 28 -11.226 1.909 -8.980 1.00 0.00 O ATOM 1628 CB GLN C 28 -13.447 1.139 -10.909 1.00 0.00 C ATOM 1629 CG GLN C 28 -14.839 0.605 -11.230 1.00 0.00 C ATOM 1630 CD GLN C 28 -15.659 0.319 -9.975 1.00 0.00 C ATOM 1631 OE1 GLN C 28 -16.741 0.873 -9.794 1.00 0.00 O ATOM 1632 NE2 GLN C 28 -15.154 -0.546 -9.096 1.00 0.00 N ATOM 0 H GLN C 28 -14.076 3.710 -11.148 1.00 0.00 H new ATOM 0 HA GLN C 28 -13.865 1.813 -8.910 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -13.007 1.547 -11.819 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -12.815 0.309 -10.593 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -15.369 1.329 -11.849 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -14.748 -0.309 -11.817 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -14.253 -0.989 -9.276 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -15.669 -0.765 -8.243 1.00 0.00 H new ATOM 1641 N GLN C 29 -11.600 3.786 -10.168 1.00 0.00 N ATOM 1642 CA GLN C 29 -10.259 4.291 -9.969 1.00 0.00 C ATOM 1643 C GLN C 29 -10.127 4.709 -8.513 1.00 0.00 C ATOM 1644 O GLN C 29 -11.085 5.167 -7.890 1.00 0.00 O ATOM 1645 CB GLN C 29 -9.968 5.464 -10.906 1.00 0.00 C ATOM 1646 CG GLN C 29 -9.687 5.013 -12.339 1.00 0.00 C ATOM 1647 CD GLN C 29 -10.967 4.601 -13.043 1.00 0.00 C ATOM 1648 OE1 GLN C 29 -11.218 3.300 -13.094 1.00 0.00 O flip ATOM 1649 NE2 GLN C 29 -11.722 5.434 -13.535 1.00 0.00 N flip ATOM 0 H GLN C 29 -12.199 4.378 -10.743 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.530 3.514 -10.201 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.818 6.146 -10.903 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -9.111 6.022 -10.529 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -9.209 5.822 -12.891 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -8.988 4.177 -12.330 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -11.495 6.427 -13.476 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -12.577 5.134 -14.003 1.00 0.00 H new ATOM 1658 N VAL C 30 -8.922 4.546 -7.972 1.00 0.00 N ATOM 1659 CA VAL C 30 -8.610 4.853 -6.597 1.00 0.00 C ATOM 1660 C VAL C 30 -7.278 5.582 -6.593 1.00 0.00 C ATOM 1661 O VAL C 30 -6.263 5.021 -7.004 1.00 0.00 O ATOM 1662 CB VAL C 30 -8.550 3.541 -5.802 1.00 0.00 C ATOM 1663 CG1 VAL C 30 -8.277 3.816 -4.335 1.00 0.00 C ATOM 1664 CG2 VAL C 30 -9.875 2.777 -5.882 1.00 0.00 C ATOM 0 H VAL C 30 -8.124 4.188 -8.497 1.00 0.00 H new ATOM 0 HA VAL C 30 -9.365 5.486 -6.131 1.00 0.00 H new ATOM 0 HB VAL C 30 -7.749 2.947 -6.241 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -8.238 2.873 -3.789 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -7.323 4.334 -4.233 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -9.073 4.439 -3.927 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -9.798 1.853 -5.308 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -10.675 3.393 -5.472 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -10.096 2.540 -6.923 1.00 0.00 H new ATOM 1674 N ARG C 31 -7.280 6.835 -6.130 1.00 0.00 N ATOM 1675 CA ARG C 31 -6.058 7.615 -6.003 1.00 0.00 C ATOM 1676 C ARG C 31 -5.363 7.159 -4.733 1.00 0.00 C ATOM 1677 O ARG C 31 -5.912 7.299 -3.640 1.00 0.00 O ATOM 1678 CB ARG C 31 -6.401 9.104 -5.927 1.00 0.00 C ATOM 1679 CG ARG C 31 -6.295 9.791 -7.287 1.00 0.00 C ATOM 1680 CD ARG C 31 -4.818 9.989 -7.635 1.00 0.00 C ATOM 1681 NE ARG C 31 -4.653 10.833 -8.824 1.00 0.00 N ATOM 1682 CZ ARG C 31 -3.810 11.867 -8.904 1.00 0.00 C ATOM 1683 NH1 ARG C 31 -3.033 12.198 -7.877 1.00 0.00 N ATOM 1684 NH2 ARG C 31 -3.739 12.576 -10.025 1.00 0.00 N ATOM 0 H ARG C 31 -8.123 7.329 -5.837 1.00 0.00 H new ATOM 0 HA ARG C 31 -5.405 7.468 -6.864 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -7.413 9.223 -5.540 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -5.730 9.594 -5.221 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -6.784 9.188 -8.052 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -6.808 10.753 -7.263 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -4.302 10.445 -6.790 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -4.351 9.019 -7.808 1.00 0.00 H new ATOM 0 HE ARG C 31 -5.219 10.616 -9.644 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -3.075 11.660 -7.012 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -2.395 12.990 -7.955 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -4.327 12.331 -10.822 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -3.097 13.366 -10.089 1.00 0.00 H new ATOM 1698 N ILE C 32 -4.156 6.616 -4.883 1.00 0.00 N ATOM 1699 CA ILE C 32 -3.403 6.056 -3.768 1.00 0.00 C ATOM 1700 C ILE C 32 -2.035 6.720 -3.706 1.00 0.00 C ATOM 1701 O ILE C 32 -1.522 7.180 -4.725 1.00 0.00 O ATOM 1702 CB ILE C 32 -3.263 4.530 -3.926 1.00 0.00 C ATOM 1703 CG1 ILE C 32 -4.595 3.908 -4.362 1.00 0.00 C ATOM 1704 CG2 ILE C 32 -2.784 3.909 -2.608 1.00 0.00 C ATOM 1705 CD1 ILE C 32 -4.578 2.382 -4.330 1.00 0.00 C ATOM 0 H ILE C 32 -3.675 6.553 -5.780 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.936 6.247 -2.837 1.00 0.00 H new ATOM 0 HB ILE C 32 -2.524 4.324 -4.700 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -5.390 4.271 -3.711 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.833 4.242 -5.372 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.688 2.830 -2.728 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -1.817 4.332 -2.337 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -3.507 4.123 -1.821 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -5.548 2.001 -4.649 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -3.804 2.013 -5.003 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -4.370 2.042 -3.316 1.00 0.00 H new ATOM 1717 N GLY C 33 -1.442 6.768 -2.515 1.00 0.00 N ATOM 1718 CA GLY C 33 -0.120 7.330 -2.324 1.00 0.00 C ATOM 1719 C GLY C 33 0.743 6.377 -1.508 1.00 0.00 C ATOM 1720 O GLY C 33 0.239 5.542 -0.759 1.00 0.00 O ATOM 0 H GLY C 33 -1.870 6.416 -1.659 1.00 0.00 H new ATOM 0 HA2 GLY C 33 0.347 7.517 -3.291 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -0.195 8.291 -1.815 1.00 0.00 H new ATOM 1724 N ILE C 34 2.056 6.514 -1.667 1.00 0.00 N ATOM 1725 CA ILE C 34 3.043 5.659 -1.031 1.00 0.00 C ATOM 1726 C ILE C 34 4.201 6.541 -0.606 1.00 0.00 C ATOM 1727 O ILE C 34 4.603 7.439 -1.340 1.00 0.00 O ATOM 1728 CB ILE C 34 3.532 4.603 -2.031 1.00 0.00 C ATOM 1729 CG1 ILE C 34 2.353 3.776 -2.571 1.00 0.00 C ATOM 1730 CG2 ILE C 34 4.574 3.701 -1.362 1.00 0.00 C ATOM 1731 CD1 ILE C 34 2.793 2.911 -3.749 1.00 0.00 C ATOM 0 H ILE C 34 2.468 7.239 -2.255 1.00 0.00 H new ATOM 0 HA ILE C 34 2.614 5.146 -0.170 1.00 0.00 H new ATOM 0 HB ILE C 34 3.997 5.107 -2.878 1.00 0.00 H new ATOM 0 HG12 ILE C 34 1.953 3.143 -1.778 1.00 0.00 H new ATOM 0 HG13 ILE C 34 1.549 4.442 -2.883 1.00 0.00 H new ATOM 0 HG21 ILE C 34 4.919 2.952 -2.075 1.00 0.00 H new ATOM 0 HG22 ILE C 34 5.420 4.305 -1.032 1.00 0.00 H new ATOM 0 HG23 ILE C 34 4.126 3.203 -0.502 1.00 0.00 H new ATOM 0 HD11 ILE C 34 1.943 2.335 -4.115 1.00 0.00 H new ATOM 0 HD12 ILE C 34 3.170 3.549 -4.548 1.00 0.00 H new ATOM 0 HD13 ILE C 34 3.581 2.230 -3.426 1.00 0.00 H new ATOM 1743 N ASN C 35 4.744 6.293 0.583 1.00 0.00 N ATOM 1744 CA ASN C 35 5.765 7.156 1.135 1.00 0.00 C ATOM 1745 C ASN C 35 6.892 6.315 1.716 1.00 0.00 C ATOM 1746 O ASN C 35 6.804 5.814 2.836 1.00 0.00 O ATOM 1747 CB ASN C 35 5.117 8.070 2.172 1.00 0.00 C ATOM 1748 CG ASN C 35 6.047 9.189 2.621 1.00 0.00 C ATOM 1749 OD1 ASN C 35 7.258 9.134 2.425 1.00 0.00 O ATOM 1750 ND2 ASN C 35 5.477 10.222 3.232 1.00 0.00 N ATOM 0 H ASN C 35 4.490 5.502 1.175 1.00 0.00 H new ATOM 0 HA ASN C 35 6.209 7.783 0.362 1.00 0.00 H new ATOM 0 HB2 ASN C 35 4.208 8.502 1.754 1.00 0.00 H new ATOM 0 HB3 ASN C 35 4.820 7.479 3.038 1.00 0.00 H new ATOM 0 HD21 ASN C 35 6.049 11.003 3.555 1.00 0.00 H new ATOM 0 HD22 ASN C 35 4.468 10.235 3.378 1.00 0.00 H new ATOM 1757 N ALA C 36 7.951 6.175 0.919 1.00 0.00 N ATOM 1758 CA ALA C 36 9.164 5.480 1.295 1.00 0.00 C ATOM 1759 C ALA C 36 10.354 6.209 0.688 1.00 0.00 C ATOM 1760 O ALA C 36 10.209 6.883 -0.332 1.00 0.00 O ATOM 1761 CB ALA C 36 9.130 4.048 0.754 1.00 0.00 C ATOM 0 H ALA C 36 7.982 6.554 -0.027 1.00 0.00 H new ATOM 0 HA ALA C 36 9.248 5.454 2.381 1.00 0.00 H new ATOM 0 HB1 ALA C 36 10.045 3.529 1.040 1.00 0.00 H new ATOM 0 HB2 ALA C 36 8.270 3.522 1.169 1.00 0.00 H new ATOM 0 HB3 ALA C 36 9.050 4.071 -0.333 1.00 0.00 H new ATOM 1767 N PRO C 37 11.530 6.084 1.307 1.00 0.00 N ATOM 1768 CA PRO C 37 12.740 6.673 0.786 1.00 0.00 C ATOM 1769 C PRO C 37 13.072 6.069 -0.571 1.00 0.00 C ATOM 1770 O PRO C 37 12.709 4.930 -0.852 1.00 0.00 O ATOM 1771 CB PRO C 37 13.816 6.356 1.823 1.00 0.00 C ATOM 1772 CG PRO C 37 13.269 5.176 2.627 1.00 0.00 C ATOM 1773 CD PRO C 37 11.760 5.359 2.539 1.00 0.00 C ATOM 0 HA PRO C 37 12.651 7.748 0.629 1.00 0.00 H new ATOM 0 HB2 PRO C 37 14.761 6.100 1.343 1.00 0.00 H new ATOM 0 HB3 PRO C 37 14.007 7.215 2.466 1.00 0.00 H new ATOM 0 HG2 PRO C 37 13.583 4.222 2.205 1.00 0.00 H new ATOM 0 HG3 PRO C 37 13.617 5.198 3.660 1.00 0.00 H new ATOM 0 HD2 PRO C 37 11.248 4.397 2.530 1.00 0.00 H new ATOM 0 HD3 PRO C 37 11.381 5.914 3.397 1.00 0.00 H new ATOM 1781 N LYS C 38 13.759 6.826 -1.428 1.00 0.00 N ATOM 1782 CA LYS C 38 14.189 6.334 -2.735 1.00 0.00 C ATOM 1783 C LYS C 38 15.198 5.199 -2.587 1.00 0.00 C ATOM 1784 O LYS C 38 15.584 4.558 -3.563 1.00 0.00 O ATOM 1785 CB LYS C 38 14.789 7.488 -3.525 1.00 0.00 C ATOM 1786 CG LYS C 38 13.706 8.228 -4.304 1.00 0.00 C ATOM 1787 CD LYS C 38 12.661 8.974 -3.462 1.00 0.00 C ATOM 1788 CE LYS C 38 13.233 10.216 -2.781 1.00 0.00 C ATOM 1789 NZ LYS C 38 13.643 11.224 -3.773 1.00 0.00 N ATOM 0 H LYS C 38 14.031 7.790 -1.237 1.00 0.00 H new ATOM 0 HA LYS C 38 13.327 5.936 -3.270 1.00 0.00 H new ATOM 0 HB2 LYS C 38 15.291 8.177 -2.847 1.00 0.00 H new ATOM 0 HB3 LYS C 38 15.545 7.110 -4.213 1.00 0.00 H new ATOM 0 HG2 LYS C 38 14.189 8.946 -4.966 1.00 0.00 H new ATOM 0 HG3 LYS C 38 13.187 7.509 -4.938 1.00 0.00 H new ATOM 0 HD2 LYS C 38 11.827 9.266 -4.100 1.00 0.00 H new ATOM 0 HD3 LYS C 38 12.262 8.300 -2.704 1.00 0.00 H new ATOM 0 HE2 LYS C 38 12.487 10.643 -2.111 1.00 0.00 H new ATOM 0 HE3 LYS C 38 14.089 9.936 -2.167 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 13.753 12.146 -3.305 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 14.548 10.942 -4.200 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 12.918 11.296 -4.515 1.00 0.00 H new ATOM 1803 N ASP C 39 15.607 4.967 -1.345 1.00 0.00 N ATOM 1804 CA ASP C 39 16.474 3.875 -0.926 1.00 0.00 C ATOM 1805 C ASP C 39 15.818 2.510 -1.133 1.00 0.00 C ATOM 1806 O ASP C 39 16.475 1.480 -0.989 1.00 0.00 O ATOM 1807 CB ASP C 39 16.813 4.047 0.551 1.00 0.00 C ATOM 1808 CG ASP C 39 17.788 5.202 0.766 1.00 0.00 C ATOM 1809 OD1 ASP C 39 19.010 4.945 0.675 1.00 0.00 O ATOM 1810 OD2 ASP C 39 17.302 6.328 1.019 1.00 0.00 O ATOM 0 H ASP C 39 15.329 5.565 -0.567 1.00 0.00 H new ATOM 0 HA ASP C 39 17.375 3.909 -1.538 1.00 0.00 H new ATOM 0 HB2 ASP C 39 15.900 4.229 1.117 1.00 0.00 H new ATOM 0 HB3 ASP C 39 17.248 3.125 0.936 1.00 0.00 H new ATOM 1815 N VAL C 40 14.523 2.493 -1.467 1.00 0.00 N ATOM 1816 CA VAL C 40 13.773 1.275 -1.740 1.00 0.00 C ATOM 1817 C VAL C 40 12.963 1.479 -3.011 1.00 0.00 C ATOM 1818 O VAL C 40 12.842 2.606 -3.487 1.00 0.00 O ATOM 1819 CB VAL C 40 12.867 0.922 -0.555 1.00 0.00 C ATOM 1820 CG1 VAL C 40 13.686 0.847 0.731 1.00 0.00 C ATOM 1821 CG2 VAL C 40 11.776 1.968 -0.365 1.00 0.00 C ATOM 0 H VAL C 40 13.963 3.341 -1.555 1.00 0.00 H new ATOM 0 HA VAL C 40 14.459 0.440 -1.881 1.00 0.00 H new ATOM 0 HB VAL C 40 12.409 -0.043 -0.771 1.00 0.00 H new ATOM 0 HG11 VAL C 40 13.031 0.596 1.565 1.00 0.00 H new ATOM 0 HG12 VAL C 40 14.454 0.081 0.629 1.00 0.00 H new ATOM 0 HG13 VAL C 40 14.158 1.811 0.918 1.00 0.00 H new ATOM 0 HG21 VAL C 40 11.149 1.690 0.483 1.00 0.00 H new ATOM 0 HG22 VAL C 40 12.232 2.940 -0.176 1.00 0.00 H new ATOM 0 HG23 VAL C 40 11.164 2.023 -1.266 1.00 0.00 H new ATOM 1831 N ALA C 41 12.405 0.407 -3.575 1.00 0.00 N ATOM 1832 CA ALA C 41 11.713 0.514 -4.847 1.00 0.00 C ATOM 1833 C ALA C 41 10.199 0.479 -4.666 1.00 0.00 C ATOM 1834 O ALA C 41 9.696 -0.088 -3.700 1.00 0.00 O ATOM 1835 CB ALA C 41 12.170 -0.623 -5.760 1.00 0.00 C ATOM 0 H ALA C 41 12.421 -0.530 -3.173 1.00 0.00 H new ATOM 0 HA ALA C 41 11.961 1.474 -5.300 1.00 0.00 H new ATOM 0 HB1 ALA C 41 11.655 -0.550 -6.718 1.00 0.00 H new ATOM 0 HB2 ALA C 41 13.246 -0.551 -5.920 1.00 0.00 H new ATOM 0 HB3 ALA C 41 11.936 -1.580 -5.294 1.00 0.00 H new ATOM 1841 N VAL C 42 9.476 1.089 -5.606 1.00 0.00 N ATOM 1842 CA VAL C 42 8.019 1.039 -5.650 1.00 0.00 C ATOM 1843 C VAL C 42 7.541 1.358 -7.063 1.00 0.00 C ATOM 1844 O VAL C 42 7.950 2.360 -7.649 1.00 0.00 O ATOM 1845 CB VAL C 42 7.407 1.993 -4.611 1.00 0.00 C ATOM 1846 CG1 VAL C 42 8.224 3.276 -4.456 1.00 0.00 C ATOM 1847 CG2 VAL C 42 5.971 2.364 -4.969 1.00 0.00 C ATOM 0 H VAL C 42 9.890 1.634 -6.362 1.00 0.00 H new ATOM 0 HA VAL C 42 7.684 0.034 -5.394 1.00 0.00 H new ATOM 0 HB VAL C 42 7.417 1.453 -3.664 1.00 0.00 H new ATOM 0 HG11 VAL C 42 7.754 3.919 -3.712 1.00 0.00 H new ATOM 0 HG12 VAL C 42 9.235 3.027 -4.133 1.00 0.00 H new ATOM 0 HG13 VAL C 42 8.266 3.798 -5.412 1.00 0.00 H new ATOM 0 HG21 VAL C 42 5.570 3.039 -4.213 1.00 0.00 H new ATOM 0 HG22 VAL C 42 5.954 2.857 -5.941 1.00 0.00 H new ATOM 0 HG23 VAL C 42 5.361 1.461 -5.009 1.00 0.00 H new ATOM 1857 N HIS C 43 6.672 0.499 -7.605 1.00 0.00 N ATOM 1858 CA HIS C 43 6.114 0.659 -8.941 1.00 0.00 C ATOM 1859 C HIS C 43 4.774 -0.070 -9.026 1.00 0.00 C ATOM 1860 O HIS C 43 4.397 -0.773 -8.091 1.00 0.00 O ATOM 1861 CB HIS C 43 7.056 0.063 -9.993 1.00 0.00 C ATOM 1862 CG HIS C 43 8.525 0.297 -9.755 1.00 0.00 C ATOM 1863 ND1 HIS C 43 9.295 1.303 -10.344 1.00 0.00 N ATOM 1864 CD2 HIS C 43 9.313 -0.448 -8.927 1.00 0.00 C ATOM 1865 CE1 HIS C 43 10.532 1.135 -9.851 1.00 0.00 C ATOM 1866 NE2 HIS C 43 10.574 0.093 -9.003 1.00 0.00 N ATOM 0 H HIS C 43 6.336 -0.333 -7.120 1.00 0.00 H new ATOM 0 HA HIS C 43 5.982 1.724 -9.132 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.881 -1.012 -10.045 1.00 0.00 H new ATOM 0 HB3 HIS C 43 6.793 0.476 -10.967 1.00 0.00 H new ATOM 0 HD1 HIS C 43 8.984 2.013 -11.007 1.00 0.00 H new ATOM 0 HD2 HIS C 43 9.007 -1.295 -8.330 1.00 0.00 H new ATOM 0 HE1 HIS C 43 11.380 1.754 -10.102 1.00 0.00 H new ATOM 1874 N ARG C 44 4.048 0.086 -10.140 1.00 0.00 N ATOM 1875 CA ARG C 44 2.829 -0.680 -10.352 1.00 0.00 C ATOM 1876 C ARG C 44 3.227 -2.094 -10.754 1.00 0.00 C ATOM 1877 O ARG C 44 4.384 -2.345 -11.087 1.00 0.00 O ATOM 1878 CB ARG C 44 1.929 -0.006 -11.394 1.00 0.00 C ATOM 1879 CG ARG C 44 2.639 0.172 -12.739 1.00 0.00 C ATOM 1880 CD ARG C 44 1.666 0.705 -13.794 1.00 0.00 C ATOM 1881 NE ARG C 44 0.633 -0.288 -14.128 1.00 0.00 N ATOM 1882 CZ ARG C 44 -0.378 -0.064 -14.972 1.00 0.00 C ATOM 1883 NH1 ARG C 44 -0.524 1.116 -15.565 1.00 0.00 N ATOM 1884 NH2 ARG C 44 -1.248 -1.038 -15.226 1.00 0.00 N ATOM 0 H ARG C 44 4.285 0.729 -10.896 1.00 0.00 H new ATOM 0 HA ARG C 44 2.241 -0.723 -9.435 1.00 0.00 H new ATOM 0 HB2 ARG C 44 1.029 -0.604 -11.536 1.00 0.00 H new ATOM 0 HB3 ARG C 44 1.610 0.967 -11.021 1.00 0.00 H new ATOM 0 HG2 ARG C 44 3.476 0.861 -12.626 1.00 0.00 H new ATOM 0 HG3 ARG C 44 3.053 -0.781 -13.067 1.00 0.00 H new ATOM 0 HD2 ARG C 44 1.192 1.615 -13.426 1.00 0.00 H new ATOM 0 HD3 ARG C 44 2.217 0.975 -14.695 1.00 0.00 H new ATOM 0 HE ARG C 44 0.693 -1.206 -13.687 1.00 0.00 H new ATOM 0 HH11 ARG C 44 0.141 1.866 -15.378 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -1.301 1.271 -16.207 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -1.140 -1.948 -14.777 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -2.023 -0.875 -15.869 1.00 0.00 H new ATOM 1898 N GLU C 45 2.273 -3.026 -10.731 1.00 0.00 N ATOM 1899 CA GLU C 45 2.573 -4.425 -10.990 1.00 0.00 C ATOM 1900 C GLU C 45 3.183 -4.632 -12.381 1.00 0.00 C ATOM 1901 O GLU C 45 3.902 -5.603 -12.591 1.00 0.00 O ATOM 1902 CB GLU C 45 1.291 -5.242 -10.786 1.00 0.00 C ATOM 1903 CG GLU C 45 1.523 -6.752 -10.655 1.00 0.00 C ATOM 1904 CD GLU C 45 1.840 -7.436 -11.982 1.00 0.00 C ATOM 1905 OE1 GLU C 45 1.176 -7.096 -12.986 1.00 0.00 O ATOM 1906 OE2 GLU C 45 2.751 -8.297 -11.971 1.00 0.00 O ATOM 0 H GLU C 45 1.291 -2.833 -10.536 1.00 0.00 H new ATOM 0 HA GLU C 45 3.331 -4.772 -10.288 1.00 0.00 H new ATOM 0 HB2 GLU C 45 0.784 -4.884 -9.890 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.620 -5.060 -11.626 1.00 0.00 H new ATOM 0 HG2 GLU C 45 2.344 -6.927 -9.960 1.00 0.00 H new ATOM 0 HG3 GLU C 45 0.635 -7.212 -10.221 1.00 0.00 H new ATOM 1913 N GLU C 46 2.907 -3.728 -13.328 1.00 0.00 N ATOM 1914 CA GLU C 46 3.440 -3.834 -14.679 1.00 0.00 C ATOM 1915 C GLU C 46 4.954 -3.653 -14.676 1.00 0.00 C ATOM 1916 O GLU C 46 5.690 -4.485 -15.203 1.00 0.00 O ATOM 1917 CB GLU C 46 2.812 -2.733 -15.541 1.00 0.00 C ATOM 1918 CG GLU C 46 3.348 -2.746 -16.975 1.00 0.00 C ATOM 1919 CD GLU C 46 3.143 -4.095 -17.664 1.00 0.00 C ATOM 1920 OE1 GLU C 46 1.994 -4.594 -17.640 1.00 0.00 O ATOM 1921 OE2 GLU C 46 4.143 -4.618 -18.210 1.00 0.00 O ATOM 0 H GLU C 46 2.313 -2.913 -13.176 1.00 0.00 H new ATOM 0 HA GLU C 46 3.204 -4.821 -15.077 1.00 0.00 H new ATOM 0 HB2 GLU C 46 1.730 -2.860 -15.558 1.00 0.00 H new ATOM 0 HB3 GLU C 46 3.012 -1.761 -15.089 1.00 0.00 H new ATOM 0 HG2 GLU C 46 2.850 -1.967 -17.553 1.00 0.00 H new ATOM 0 HG3 GLU C 46 4.411 -2.505 -16.964 1.00 0.00 H new ATOM 1928 N ILE C 47 5.421 -2.555 -14.076 1.00 0.00 N ATOM 1929 CA ILE C 47 6.827 -2.196 -14.122 1.00 0.00 C ATOM 1930 C ILE C 47 7.644 -3.119 -13.228 1.00 0.00 C ATOM 1931 O ILE C 47 8.810 -3.378 -13.513 1.00 0.00 O ATOM 1932 CB ILE C 47 6.988 -0.742 -13.666 1.00 0.00 C ATOM 1933 CG1 ILE C 47 5.995 0.206 -14.351 1.00 0.00 C ATOM 1934 CG2 ILE C 47 8.418 -0.264 -13.923 1.00 0.00 C ATOM 1935 CD1 ILE C 47 5.976 0.074 -15.871 1.00 0.00 C ATOM 0 H ILE C 47 4.838 -1.902 -13.553 1.00 0.00 H new ATOM 0 HA ILE C 47 7.191 -2.302 -15.144 1.00 0.00 H new ATOM 0 HB ILE C 47 6.774 -0.720 -12.597 1.00 0.00 H new ATOM 0 HG12 ILE C 47 4.994 0.012 -13.965 1.00 0.00 H new ATOM 0 HG13 ILE C 47 6.245 1.234 -14.087 1.00 0.00 H new ATOM 0 HG21 ILE C 47 8.520 0.770 -13.595 1.00 0.00 H new ATOM 0 HG22 ILE C 47 9.116 -0.891 -13.369 1.00 0.00 H new ATOM 0 HG23 ILE C 47 8.638 -0.330 -14.989 1.00 0.00 H new ATOM 0 HD11 ILE C 47 5.252 0.774 -16.288 1.00 0.00 H new ATOM 0 HD12 ILE C 47 6.966 0.297 -16.268 1.00 0.00 H new ATOM 0 HD13 ILE C 47 5.696 -0.943 -16.144 1.00 0.00 H new ATOM 1947 N TYR C 48 7.039 -3.622 -12.149 1.00 0.00 N ATOM 1948 CA TYR C 48 7.725 -4.466 -11.185 1.00 0.00 C ATOM 1949 C TYR C 48 8.343 -5.699 -11.833 1.00 0.00 C ATOM 1950 O TYR C 48 9.338 -6.221 -11.337 1.00 0.00 O ATOM 1951 CB TYR C 48 6.725 -4.911 -10.122 1.00 0.00 C ATOM 1952 CG TYR C 48 7.345 -5.812 -9.083 1.00 0.00 C ATOM 1953 CD1 TYR C 48 8.164 -5.275 -8.078 1.00 0.00 C ATOM 1954 CD2 TYR C 48 7.104 -7.193 -9.131 1.00 0.00 C ATOM 1955 CE1 TYR C 48 8.732 -6.115 -7.113 1.00 0.00 C ATOM 1956 CE2 TYR C 48 7.664 -8.042 -8.171 1.00 0.00 C ATOM 1957 CZ TYR C 48 8.479 -7.504 -7.153 1.00 0.00 C ATOM 1958 OH TYR C 48 9.021 -8.327 -6.212 1.00 0.00 O ATOM 0 H TYR C 48 6.059 -3.452 -11.925 1.00 0.00 H new ATOM 0 HA TYR C 48 8.534 -3.883 -10.746 1.00 0.00 H new ATOM 0 HB2 TYR C 48 6.306 -4.032 -9.632 1.00 0.00 H new ATOM 0 HB3 TYR C 48 5.897 -5.433 -10.603 1.00 0.00 H new ATOM 0 HD1 TYR C 48 8.356 -4.213 -8.049 1.00 0.00 H new ATOM 0 HD2 TYR C 48 6.483 -7.603 -9.914 1.00 0.00 H new ATOM 0 HE1 TYR C 48 9.362 -5.702 -6.339 1.00 0.00 H new ATOM 0 HE2 TYR C 48 7.473 -9.104 -8.209 1.00 0.00 H new ATOM 0 HH TYR C 48 8.745 -9.251 -6.387 1.00 0.00 H new