USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=20 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=-0.00518 X(o=-0.0052,f=-0.33) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 ASN : amide:sc= -1.98 K(o=-2,f=-3.6!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 21 THR OG1 : rot 180:sc=-0.00721 USER MOD Single : A 1 MET CE :methyl -134:sc= -0.0103 (180deg=-0.1) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.0508 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 46:sc= 0.0289 USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= -0.0355 (180deg=-0.32) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -2.35! K(o=-2.4!,f=-0.2) USER MOD Single : A 29 GLN : amide:sc=-0.00962 K(o=-0.0096,f=-1.2) USER MOD Single : A 35 ASN : amide:sc=-0.00139 K(o=-0.0014,f=-1.5) USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0611) USER MOD Single : A 43 HIS : no HE2:sc= -1.04 K(o=-1,f=-2) USER MOD Single : A 48 TYR OH : rot -22:sc= 1.03 USER MOD Single : C 1 MET CE :methyl 172:sc= -1.54 (180deg=-1.82!) USER MOD Single : C 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.739 X(o=-0.74,f=-0.74) USER MOD Single : C 29 GLN : amide:sc= -0.0921 K(o=-0.092,f=-0.88) USER MOD Single : C 35 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.9!) USER MOD Single : C 38 LYS NZ :NH3+ -171:sc=-0.00583 (180deg=-0.0988) USER MOD Single : C 43 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-2.2) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.282 10.080 -3.401 1.00 0.00 N ATOM 2 CA MET A 1 -7.334 8.959 -3.524 1.00 0.00 C ATOM 3 C MET A 1 -6.062 9.393 -4.237 1.00 0.00 C ATOM 4 O MET A 1 -6.098 10.297 -5.072 1.00 0.00 O ATOM 5 CB MET A 1 -7.963 7.810 -4.317 1.00 0.00 C ATOM 6 CG MET A 1 -7.139 6.526 -4.287 1.00 0.00 C ATOM 7 SD MET A 1 -7.607 5.344 -3.015 1.00 0.00 S ATOM 8 CE MET A 1 -9.026 4.711 -3.929 1.00 0.00 C ATOM 0 H1 MET A 1 -9.249 9.737 -3.573 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.222 10.482 -2.444 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.045 10.813 -4.100 1.00 0.00 H new ATOM 0 HA MET A 1 -7.090 8.628 -2.514 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.956 7.604 -3.917 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.095 8.123 -5.353 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.219 6.040 -5.259 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.091 6.789 -4.147 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.886 4.643 -3.263 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.258 5.385 -4.754 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.793 3.722 -4.323 1.00 0.00 H new ATOM 20 N LEU A 2 -4.945 8.746 -3.906 1.00 0.00 N ATOM 21 CA LEU A 2 -3.681 8.891 -4.600 1.00 0.00 C ATOM 22 C LEU A 2 -3.226 7.476 -4.962 1.00 0.00 C ATOM 23 O LEU A 2 -2.765 6.722 -4.104 1.00 0.00 O ATOM 24 CB LEU A 2 -2.712 9.670 -3.704 1.00 0.00 C ATOM 25 CG LEU A 2 -1.370 10.049 -4.349 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.370 8.899 -4.274 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.525 10.463 -5.808 1.00 0.00 C ATOM 0 H LEU A 2 -4.901 8.091 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.745 9.468 -5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.206 10.583 -3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.511 9.075 -2.813 1.00 0.00 H new ATOM 0 HG LEU A 2 -0.997 10.900 -3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.568 9.202 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.190 8.640 -3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.772 8.032 -4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.549 10.721 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.951 9.637 -6.377 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.186 11.327 -5.873 1.00 0.00 H new ATOM 39 N ILE A 3 -3.362 7.128 -6.244 1.00 0.00 N ATOM 40 CA ILE A 3 -3.106 5.794 -6.767 1.00 0.00 C ATOM 41 C ILE A 3 -1.694 5.716 -7.342 1.00 0.00 C ATOM 42 O ILE A 3 -1.159 6.721 -7.800 1.00 0.00 O ATOM 43 CB ILE A 3 -4.137 5.450 -7.854 1.00 0.00 C ATOM 44 CG1 ILE A 3 -5.553 5.356 -7.283 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.845 4.102 -8.516 1.00 0.00 C ATOM 46 CD1 ILE A 3 -6.260 6.702 -7.334 1.00 0.00 C ATOM 0 H ILE A 3 -3.661 7.788 -6.962 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.194 5.074 -5.954 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.065 6.258 -8.582 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.127 4.620 -7.846 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.509 5.005 -6.252 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.598 3.900 -9.277 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.859 4.130 -8.980 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.869 3.314 -7.763 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.264 6.602 -6.921 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.698 7.430 -6.749 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.325 7.040 -8.368 1.00 0.00 H new ATOM 58 N LEU A 4 -1.101 4.518 -7.307 1.00 0.00 N ATOM 59 CA LEU A 4 0.233 4.255 -7.819 1.00 0.00 C ATOM 60 C LEU A 4 0.368 2.825 -8.324 1.00 0.00 C ATOM 61 O LEU A 4 -0.548 2.015 -8.195 1.00 0.00 O ATOM 62 CB LEU A 4 1.260 4.386 -6.694 1.00 0.00 C ATOM 63 CG LEU A 4 1.438 5.784 -6.112 1.00 0.00 C ATOM 64 CD1 LEU A 4 2.509 5.616 -5.046 1.00 0.00 C ATOM 65 CD2 LEU A 4 1.941 6.791 -7.142 1.00 0.00 C ATOM 0 H LEU A 4 -1.551 3.692 -6.912 1.00 0.00 H new ATOM 0 HA LEU A 4 0.401 4.971 -8.624 1.00 0.00 H new ATOM 0 HB2 LEU A 4 0.974 3.712 -5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.225 4.044 -7.068 1.00 0.00 H new ATOM 0 HG LEU A 4 0.486 6.165 -5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.703 6.578 -4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.167 4.903 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.426 5.247 -5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.049 7.769 -6.672 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.907 6.465 -7.528 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.227 6.860 -7.963 1.00 0.00 H new ATOM 77 N THR A 5 1.536 2.533 -8.900 1.00 0.00 N ATOM 78 CA THR A 5 1.973 1.187 -9.223 1.00 0.00 C ATOM 79 C THR A 5 3.349 0.999 -8.611 1.00 0.00 C ATOM 80 O THR A 5 4.277 1.749 -8.908 1.00 0.00 O ATOM 81 CB THR A 5 2.066 0.945 -10.732 1.00 0.00 C ATOM 82 OG1 THR A 5 2.554 2.094 -11.381 1.00 0.00 O ATOM 83 CG2 THR A 5 0.734 0.530 -11.344 1.00 0.00 C ATOM 0 H THR A 5 2.216 3.248 -9.158 1.00 0.00 H new ATOM 0 HA THR A 5 1.243 0.480 -8.829 1.00 0.00 H new ATOM 0 HB THR A 5 2.760 0.117 -10.877 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.332 2.439 -10.895 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.859 0.372 -12.415 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.392 -0.394 -10.878 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.004 1.315 -11.177 1.00 0.00 H new ATOM 91 N ARG A 6 3.477 -0.007 -7.749 1.00 0.00 N ATOM 92 CA ARG A 6 4.754 -0.383 -7.157 1.00 0.00 C ATOM 93 C ARG A 6 5.052 -1.843 -7.484 1.00 0.00 C ATOM 94 O ARG A 6 4.148 -2.679 -7.476 1.00 0.00 O ATOM 95 CB ARG A 6 4.648 -0.173 -5.646 1.00 0.00 C ATOM 96 CG ARG A 6 5.991 -0.277 -4.926 1.00 0.00 C ATOM 97 CD ARG A 6 6.835 0.995 -5.017 1.00 0.00 C ATOM 98 NE ARG A 6 7.484 1.184 -6.318 1.00 0.00 N ATOM 99 CZ ARG A 6 8.313 2.208 -6.557 1.00 0.00 C ATOM 100 NH1 ARG A 6 8.592 3.078 -5.591 1.00 0.00 N ATOM 101 NH2 ARG A 6 8.866 2.367 -7.756 1.00 0.00 N ATOM 0 H ARG A 6 2.694 -0.585 -7.442 1.00 0.00 H new ATOM 0 HA ARG A 6 5.567 0.225 -7.555 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.215 0.808 -5.452 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.963 -0.912 -5.231 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.814 -0.511 -3.876 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.556 -1.109 -5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.200 1.856 -4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.600 0.969 -4.241 1.00 0.00 H new ATOM 0 HE ARG A 6 7.298 0.514 -7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.174 2.966 -4.667 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.224 3.858 -5.774 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.660 1.705 -8.504 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.496 3.151 -7.927 1.00 0.00 H new ATOM 115 N LYS A 7 6.318 -2.154 -7.772 1.00 0.00 N ATOM 116 CA LYS A 7 6.758 -3.520 -8.027 1.00 0.00 C ATOM 117 C LYS A 7 7.073 -4.223 -6.714 1.00 0.00 C ATOM 118 O LYS A 7 7.447 -3.574 -5.739 1.00 0.00 O ATOM 119 CB LYS A 7 8.029 -3.497 -8.867 1.00 0.00 C ATOM 120 CG LYS A 7 7.785 -3.230 -10.353 1.00 0.00 C ATOM 121 CD LYS A 7 7.043 -4.406 -10.991 1.00 0.00 C ATOM 122 CE LYS A 7 6.960 -4.276 -12.509 1.00 0.00 C ATOM 123 NZ LYS A 7 8.294 -4.322 -13.137 1.00 0.00 N ATOM 0 H LYS A 7 7.065 -1.462 -7.834 1.00 0.00 H new ATOM 0 HA LYS A 7 5.961 -4.048 -8.551 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.698 -2.731 -8.475 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.542 -4.453 -8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.204 -2.316 -10.474 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.736 -3.073 -10.862 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.550 -5.336 -10.734 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.036 -4.467 -10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.342 -5.080 -12.909 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.469 -3.338 -12.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.192 -4.503 -14.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.777 -3.412 -12.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.855 -5.083 -12.705 1.00 0.00 H new ATOM 137 N VAL A 8 6.922 -5.548 -6.693 1.00 0.00 N ATOM 138 CA VAL A 8 7.266 -6.338 -5.521 1.00 0.00 C ATOM 139 C VAL A 8 8.726 -6.093 -5.143 1.00 0.00 C ATOM 140 O VAL A 8 9.618 -6.250 -5.974 1.00 0.00 O ATOM 141 CB VAL A 8 6.973 -7.813 -5.752 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.456 -7.979 -5.767 1.00 0.00 C ATOM 143 CG2 VAL A 8 7.562 -8.360 -7.049 1.00 0.00 C ATOM 0 H VAL A 8 6.563 -6.092 -7.477 1.00 0.00 H new ATOM 0 HA VAL A 8 6.644 -6.024 -4.683 1.00 0.00 H new ATOM 0 HB VAL A 8 7.444 -8.382 -4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.206 -9.027 -5.931 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.045 -7.653 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.032 -7.375 -6.569 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.312 -9.417 -7.145 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.150 -7.811 -7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.646 -8.243 -7.034 1.00 0.00 H new ATOM 153 N GLY A 9 8.971 -5.706 -3.887 1.00 0.00 N ATOM 154 CA GLY A 9 10.316 -5.467 -3.383 1.00 0.00 C ATOM 155 C GLY A 9 10.662 -3.981 -3.258 1.00 0.00 C ATOM 156 O GLY A 9 11.793 -3.651 -2.907 1.00 0.00 O ATOM 0 H GLY A 9 8.238 -5.551 -3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.420 -5.940 -2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.036 -5.946 -4.047 1.00 0.00 H new ATOM 160 N GLU A 10 9.710 -3.080 -3.537 1.00 0.00 N ATOM 161 CA GLU A 10 9.948 -1.642 -3.462 1.00 0.00 C ATOM 162 C GLU A 10 9.077 -0.997 -2.377 1.00 0.00 C ATOM 163 O GLU A 10 8.357 -1.699 -1.663 1.00 0.00 O ATOM 164 CB GLU A 10 9.696 -1.003 -4.833 1.00 0.00 C ATOM 165 CG GLU A 10 10.642 -1.555 -5.906 1.00 0.00 C ATOM 166 CD GLU A 10 12.110 -1.274 -5.580 1.00 0.00 C ATOM 167 OE1 GLU A 10 12.394 -0.181 -5.039 1.00 0.00 O ATOM 168 OE2 GLU A 10 12.947 -2.157 -5.878 1.00 0.00 O ATOM 0 H GLU A 10 8.762 -3.330 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 10 10.988 -1.470 -3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.664 -1.183 -5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.823 0.077 -4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.492 -2.630 -6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.394 -1.111 -6.870 1.00 0.00 H new ATOM 175 N SER A 11 9.137 0.332 -2.243 1.00 0.00 N ATOM 176 CA SER A 11 8.481 1.036 -1.144 1.00 0.00 C ATOM 177 C SER A 11 7.801 2.332 -1.582 1.00 0.00 C ATOM 178 O SER A 11 7.966 2.797 -2.711 1.00 0.00 O ATOM 179 CB SER A 11 9.515 1.358 -0.062 1.00 0.00 C ATOM 180 OG SER A 11 10.104 0.175 0.436 1.00 0.00 O ATOM 0 H SER A 11 9.638 0.943 -2.889 1.00 0.00 H new ATOM 0 HA SER A 11 7.702 0.375 -0.763 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.287 2.009 -0.472 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.038 1.903 0.753 1.00 0.00 H new ATOM 0 HG SER A 11 10.763 0.403 1.125 1.00 0.00 H new ATOM 186 N ILE A 12 7.031 2.897 -0.651 1.00 0.00 N ATOM 187 CA ILE A 12 6.266 4.134 -0.778 1.00 0.00 C ATOM 188 C ILE A 12 6.319 4.834 0.584 1.00 0.00 C ATOM 189 O ILE A 12 6.720 4.209 1.568 1.00 0.00 O ATOM 190 CB ILE A 12 4.816 3.787 -1.177 1.00 0.00 C ATOM 191 CG1 ILE A 12 4.742 3.164 -2.578 1.00 0.00 C ATOM 192 CG2 ILE A 12 3.882 5.001 -1.129 1.00 0.00 C ATOM 193 CD1 ILE A 12 5.228 4.107 -3.680 1.00 0.00 C ATOM 0 H ILE A 12 6.919 2.474 0.270 1.00 0.00 H new ATOM 0 HA ILE A 12 6.673 4.792 -1.545 1.00 0.00 H new ATOM 0 HB ILE A 12 4.481 3.061 -0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.341 2.254 -2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.712 2.872 -2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.876 4.698 -1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.862 5.405 -0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.243 5.765 -1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.151 3.608 -4.646 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.613 5.007 -3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.267 4.379 -3.494 1.00 0.00 H new ATOM 205 N ASN A 13 5.931 6.109 0.674 1.00 0.00 N ATOM 206 CA ASN A 13 6.026 6.840 1.931 1.00 0.00 C ATOM 207 C ASN A 13 4.766 7.651 2.219 1.00 0.00 C ATOM 208 O ASN A 13 4.044 8.040 1.299 1.00 0.00 O ATOM 209 CB ASN A 13 7.260 7.745 1.881 1.00 0.00 C ATOM 210 CG ASN A 13 7.705 8.133 3.286 1.00 0.00 C ATOM 211 OD1 ASN A 13 7.126 9.014 3.913 1.00 0.00 O ATOM 212 ND2 ASN A 13 8.749 7.475 3.785 1.00 0.00 N ATOM 0 H ASN A 13 5.552 6.649 -0.104 1.00 0.00 H new ATOM 0 HA ASN A 13 6.124 6.123 2.746 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.072 7.232 1.366 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.035 8.643 1.305 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.093 7.698 4.719 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.205 6.748 3.233 1.00 0.00 H new ATOM 219 N ILE A 14 4.514 7.897 3.510 1.00 0.00 N ATOM 220 CA ILE A 14 3.353 8.638 3.995 1.00 0.00 C ATOM 221 C ILE A 14 3.792 9.536 5.149 1.00 0.00 C ATOM 222 O ILE A 14 4.646 9.158 5.955 1.00 0.00 O ATOM 223 CB ILE A 14 2.263 7.664 4.466 1.00 0.00 C ATOM 224 CG1 ILE A 14 1.858 6.723 3.321 1.00 0.00 C ATOM 225 CG2 ILE A 14 1.042 8.440 4.971 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.757 5.743 3.728 1.00 0.00 C ATOM 0 H ILE A 14 5.127 7.578 4.260 1.00 0.00 H new ATOM 0 HA ILE A 14 2.942 9.248 3.190 1.00 0.00 H new ATOM 0 HB ILE A 14 2.661 7.065 5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.517 7.315 2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.733 6.164 2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.276 7.738 5.302 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.335 9.077 5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.644 9.057 4.165 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.509 5.102 2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.105 5.129 4.559 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.130 6.298 4.034 1.00 0.00 H new ATOM 238 N GLY A 15 3.213 10.737 5.239 1.00 0.00 N ATOM 239 CA GLY A 15 3.611 11.716 6.236 1.00 0.00 C ATOM 240 C GLY A 15 5.110 11.968 6.124 1.00 0.00 C ATOM 241 O GLY A 15 5.647 12.092 5.024 1.00 0.00 O ATOM 0 H GLY A 15 2.461 11.050 4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.062 12.646 6.088 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.365 11.356 7.235 1.00 0.00 H new ATOM 245 N ASP A 16 5.778 12.044 7.273 1.00 0.00 N ATOM 246 CA ASP A 16 7.226 12.164 7.347 1.00 0.00 C ATOM 247 C ASP A 16 7.759 11.205 8.413 1.00 0.00 C ATOM 248 O ASP A 16 8.903 11.332 8.855 1.00 0.00 O ATOM 249 CB ASP A 16 7.617 13.616 7.639 1.00 0.00 C ATOM 250 CG ASP A 16 7.164 14.556 6.528 1.00 0.00 C ATOM 251 OD1 ASP A 16 7.831 14.566 5.469 1.00 0.00 O ATOM 252 OD2 ASP A 16 6.152 15.259 6.744 1.00 0.00 O ATOM 0 H ASP A 16 5.322 12.024 8.185 1.00 0.00 H new ATOM 0 HA ASP A 16 7.673 11.891 6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.174 13.929 8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.699 13.685 7.756 1.00 0.00 H new ATOM 257 N ASP A 17 6.919 10.246 8.822 1.00 0.00 N ATOM 258 CA ASP A 17 7.245 9.283 9.866 1.00 0.00 C ATOM 259 C ASP A 17 6.672 7.898 9.552 1.00 0.00 C ATOM 260 O ASP A 17 6.710 7.017 10.412 1.00 0.00 O ATOM 261 CB ASP A 17 6.696 9.771 11.211 1.00 0.00 C ATOM 262 CG ASP A 17 7.255 11.137 11.605 1.00 0.00 C ATOM 263 OD1 ASP A 17 8.378 11.161 12.157 1.00 0.00 O ATOM 264 OD2 ASP A 17 6.554 12.144 11.352 1.00 0.00 O ATOM 0 H ASP A 17 5.986 10.121 8.430 1.00 0.00 H new ATOM 0 HA ASP A 17 8.331 9.198 9.916 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.609 9.828 11.158 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.940 9.044 11.986 1.00 0.00 H new ATOM 269 N ILE A 18 6.142 7.682 8.340 1.00 0.00 N ATOM 270 CA ILE A 18 5.573 6.396 7.963 1.00 0.00 C ATOM 271 C ILE A 18 6.119 5.964 6.604 1.00 0.00 C ATOM 272 O ILE A 18 6.398 6.794 5.743 1.00 0.00 O ATOM 273 CB ILE A 18 4.037 6.475 7.918 1.00 0.00 C ATOM 274 CG1 ILE A 18 3.448 6.913 9.260 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.444 5.115 7.537 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.175 8.414 9.248 1.00 0.00 C ATOM 0 H ILE A 18 6.099 8.389 7.606 1.00 0.00 H new ATOM 0 HA ILE A 18 5.856 5.657 8.712 1.00 0.00 H new ATOM 0 HB ILE A 18 3.779 7.221 7.166 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.524 6.369 9.455 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.139 6.668 10.067 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.357 5.187 7.509 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.813 4.819 6.555 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.740 4.370 8.275 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.756 8.715 10.208 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.107 8.952 9.074 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.467 8.649 8.453 1.00 0.00 H new ATOM 288 N THR A 19 6.266 4.650 6.428 1.00 0.00 N ATOM 289 CA THR A 19 6.734 4.056 5.184 1.00 0.00 C ATOM 290 C THR A 19 5.912 2.804 4.910 1.00 0.00 C ATOM 291 O THR A 19 5.372 2.202 5.837 1.00 0.00 O ATOM 292 CB THR A 19 8.228 3.725 5.296 1.00 0.00 C ATOM 293 OG1 THR A 19 8.938 4.844 5.784 1.00 0.00 O ATOM 294 CG2 THR A 19 8.831 3.355 3.942 1.00 0.00 C ATOM 0 H THR A 19 6.060 3.965 7.155 1.00 0.00 H new ATOM 0 HA THR A 19 6.610 4.754 4.356 1.00 0.00 H new ATOM 0 HB THR A 19 8.312 2.877 5.976 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.890 4.623 5.853 1.00 0.00 H new ATOM 0 HG21 THR A 19 9.890 3.128 4.065 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.317 2.482 3.541 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.717 4.191 3.252 1.00 0.00 H new ATOM 302 N ILE A 20 5.817 2.413 3.638 1.00 0.00 N ATOM 303 CA ILE A 20 5.043 1.262 3.200 1.00 0.00 C ATOM 304 C ILE A 20 5.908 0.450 2.245 1.00 0.00 C ATOM 305 O ILE A 20 6.740 1.015 1.536 1.00 0.00 O ATOM 306 CB ILE A 20 3.765 1.743 2.492 1.00 0.00 C ATOM 307 CG1 ILE A 20 2.887 2.619 3.398 1.00 0.00 C ATOM 308 CG2 ILE A 20 2.947 0.555 1.975 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.288 1.848 4.573 1.00 0.00 C ATOM 0 H ILE A 20 6.286 2.899 2.874 1.00 0.00 H new ATOM 0 HA ILE A 20 4.752 0.645 4.050 1.00 0.00 H new ATOM 0 HB ILE A 20 4.089 2.355 1.650 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.482 3.448 3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.081 3.052 2.805 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.048 0.921 1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.545 -0.018 1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.665 -0.084 2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.678 2.520 5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.667 1.035 4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.091 1.438 5.186 1.00 0.00 H new ATOM 321 N THR A 21 5.714 -0.871 2.221 1.00 0.00 N ATOM 322 CA THR A 21 6.496 -1.753 1.366 1.00 0.00 C ATOM 323 C THR A 21 5.605 -2.850 0.806 1.00 0.00 C ATOM 324 O THR A 21 4.645 -3.272 1.447 1.00 0.00 O ATOM 325 CB THR A 21 7.649 -2.359 2.174 1.00 0.00 C ATOM 326 OG1 THR A 21 8.303 -1.357 2.920 1.00 0.00 O ATOM 327 CG2 THR A 21 8.690 -3.003 1.264 1.00 0.00 C ATOM 0 H THR A 21 5.016 -1.351 2.790 1.00 0.00 H new ATOM 0 HA THR A 21 6.910 -1.183 0.534 1.00 0.00 H new ATOM 0 HB THR A 21 7.214 -3.113 2.830 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.036 -1.757 3.433 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.493 -3.423 1.870 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.223 -3.797 0.681 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.099 -2.251 0.590 1.00 0.00 H new ATOM 335 N ILE A 22 5.932 -3.315 -0.400 1.00 0.00 N ATOM 336 CA ILE A 22 5.191 -4.336 -1.121 1.00 0.00 C ATOM 337 C ILE A 22 6.065 -5.587 -1.191 1.00 0.00 C ATOM 338 O ILE A 22 6.773 -5.817 -2.166 1.00 0.00 O ATOM 339 CB ILE A 22 4.748 -3.769 -2.479 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.171 -4.810 -3.435 1.00 0.00 C ATOM 341 CG2 ILE A 22 5.899 -3.077 -3.205 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.067 -5.636 -2.787 1.00 0.00 C ATOM 0 H ILE A 22 6.746 -2.977 -0.913 1.00 0.00 H new ATOM 0 HA ILE A 22 4.270 -4.629 -0.618 1.00 0.00 H new ATOM 0 HB ILE A 22 3.961 -3.061 -2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.777 -4.310 -4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.968 -5.473 -3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.546 -2.690 -4.161 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.271 -2.254 -2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.703 -3.793 -3.378 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.687 -6.363 -3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.466 -6.159 -1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.256 -4.978 -2.474 1.00 0.00 H new ATOM 354 N LEU A 23 6.008 -6.404 -0.134 1.00 0.00 N ATOM 355 CA LEU A 23 6.937 -7.512 0.051 1.00 0.00 C ATOM 356 C LEU A 23 6.802 -8.593 -1.026 1.00 0.00 C ATOM 357 O LEU A 23 7.765 -9.318 -1.270 1.00 0.00 O ATOM 358 CB LEU A 23 6.752 -8.130 1.439 1.00 0.00 C ATOM 359 CG LEU A 23 6.716 -7.094 2.567 1.00 0.00 C ATOM 360 CD1 LEU A 23 6.768 -7.813 3.907 1.00 0.00 C ATOM 361 CD2 LEU A 23 7.895 -6.128 2.508 1.00 0.00 C ATOM 0 H LEU A 23 5.318 -6.312 0.612 1.00 0.00 H new ATOM 0 HA LEU A 23 7.941 -7.098 -0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.825 -8.703 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.564 -8.833 1.627 1.00 0.00 H new ATOM 0 HG LEU A 23 5.795 -6.523 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.743 -7.081 4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.911 -8.480 3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.688 -8.394 3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.822 -5.414 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.827 -6.686 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.879 -5.592 1.559 1.00 0.00 H new ATOM 373 N GLY A 24 5.637 -8.714 -1.670 1.00 0.00 N ATOM 374 CA GLY A 24 5.490 -9.680 -2.747 1.00 0.00 C ATOM 375 C GLY A 24 4.045 -9.858 -3.204 1.00 0.00 C ATOM 376 O GLY A 24 3.148 -9.151 -2.754 1.00 0.00 O ATOM 0 H GLY A 24 4.802 -8.165 -1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.096 -9.363 -3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.881 -10.643 -2.418 1.00 0.00 H new ATOM 380 N VAL A 25 3.839 -10.815 -4.108 1.00 0.00 N ATOM 381 CA VAL A 25 2.555 -11.049 -4.751 1.00 0.00 C ATOM 382 C VAL A 25 2.376 -12.540 -5.045 1.00 0.00 C ATOM 383 O VAL A 25 3.306 -13.206 -5.500 1.00 0.00 O ATOM 384 CB VAL A 25 2.496 -10.202 -6.029 1.00 0.00 C ATOM 385 CG1 VAL A 25 3.604 -10.576 -7.017 1.00 0.00 C ATOM 386 CG2 VAL A 25 1.141 -10.321 -6.723 1.00 0.00 C ATOM 0 H VAL A 25 4.571 -11.455 -4.415 1.00 0.00 H new ATOM 0 HA VAL A 25 1.736 -10.755 -4.094 1.00 0.00 H new ATOM 0 HB VAL A 25 2.644 -9.169 -5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.524 -9.952 -7.907 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.576 -10.419 -6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.502 -11.624 -7.299 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.138 -9.707 -7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.960 -11.362 -6.993 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.356 -9.979 -6.049 1.00 0.00 H new ATOM 396 N SER A 26 1.171 -13.058 -4.783 1.00 0.00 N ATOM 397 CA SER A 26 0.815 -14.459 -5.005 1.00 0.00 C ATOM 398 C SER A 26 -0.680 -14.541 -5.284 1.00 0.00 C ATOM 399 O SER A 26 -1.480 -14.310 -4.377 1.00 0.00 O ATOM 400 CB SER A 26 1.125 -15.297 -3.761 1.00 0.00 C ATOM 401 OG SER A 26 2.489 -15.183 -3.406 1.00 0.00 O ATOM 0 H SER A 26 0.404 -12.503 -4.404 1.00 0.00 H new ATOM 0 HA SER A 26 1.392 -14.844 -5.846 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.500 -14.969 -2.931 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.880 -16.342 -3.951 1.00 0.00 H new ATOM 0 HG SER A 26 2.666 -15.724 -2.608 1.00 0.00 H new ATOM 407 N GLY A 27 -1.076 -14.865 -6.516 1.00 0.00 N ATOM 408 CA GLY A 27 -2.483 -14.817 -6.885 1.00 0.00 C ATOM 409 C GLY A 27 -3.036 -13.425 -6.590 1.00 0.00 C ATOM 410 O GLY A 27 -2.341 -12.430 -6.793 1.00 0.00 O ATOM 0 H GLY A 27 -0.448 -15.159 -7.264 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.601 -15.051 -7.943 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.043 -15.568 -6.328 1.00 0.00 H new ATOM 414 N GLN A 28 -4.282 -13.330 -6.116 1.00 0.00 N ATOM 415 CA GLN A 28 -4.818 -12.036 -5.731 1.00 0.00 C ATOM 416 C GLN A 28 -4.181 -11.547 -4.434 1.00 0.00 C ATOM 417 O GLN A 28 -4.342 -10.374 -4.094 1.00 0.00 O ATOM 418 CB GLN A 28 -6.334 -12.086 -5.544 1.00 0.00 C ATOM 419 CG GLN A 28 -7.067 -12.583 -6.787 1.00 0.00 C ATOM 420 CD GLN A 28 -6.473 -12.039 -8.083 1.00 0.00 C ATOM 421 OE1 GLN A 28 -5.790 -12.759 -8.810 1.00 0.00 O ATOM 422 NE2 GLN A 28 -6.718 -10.771 -8.392 1.00 0.00 N ATOM 0 H GLN A 28 -4.919 -14.117 -5.994 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.583 -11.346 -6.541 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.570 -12.738 -4.703 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.697 -11.091 -5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.038 -13.672 -6.809 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.116 -12.294 -6.724 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.288 -10.196 -7.771 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.337 -10.372 -9.250 1.00 0.00 H new ATOM 431 N GLN A 29 -3.471 -12.427 -3.717 1.00 0.00 N ATOM 432 CA GLN A 29 -2.843 -12.086 -2.453 1.00 0.00 C ATOM 433 C GLN A 29 -1.607 -11.231 -2.697 1.00 0.00 C ATOM 434 O GLN A 29 -0.980 -11.296 -3.753 1.00 0.00 O ATOM 435 CB GLN A 29 -2.454 -13.361 -1.707 1.00 0.00 C ATOM 436 CG GLN A 29 -2.599 -13.173 -0.195 1.00 0.00 C ATOM 437 CD GLN A 29 -4.045 -13.374 0.244 1.00 0.00 C ATOM 438 OE1 GLN A 29 -4.735 -12.432 0.616 1.00 0.00 O ATOM 439 NE2 GLN A 29 -4.498 -14.623 0.195 1.00 0.00 N ATOM 0 H GLN A 29 -3.321 -13.394 -4.005 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.550 -11.519 -1.848 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.084 -14.187 -2.037 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.425 -13.629 -1.948 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.955 -13.881 0.327 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.266 -12.173 0.084 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.886 -15.375 -0.122 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.457 -14.829 0.474 1.00 0.00 H new ATOM 448 N VAL A 30 -1.263 -10.423 -1.698 1.00 0.00 N ATOM 449 CA VAL A 30 -0.182 -9.461 -1.762 1.00 0.00 C ATOM 450 C VAL A 30 0.378 -9.329 -0.353 1.00 0.00 C ATOM 451 O VAL A 30 -0.346 -8.910 0.547 1.00 0.00 O ATOM 452 CB VAL A 30 -0.774 -8.124 -2.238 1.00 0.00 C ATOM 453 CG1 VAL A 30 0.315 -7.076 -2.391 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.461 -8.248 -3.601 1.00 0.00 C ATOM 0 H VAL A 30 -1.746 -10.424 -0.799 1.00 0.00 H new ATOM 0 HA VAL A 30 0.610 -9.764 -2.447 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.501 -7.834 -1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.127 -6.139 -2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.807 -6.920 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.047 -7.416 -3.123 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.863 -7.279 -3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.737 -8.581 -4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.272 -8.973 -3.535 1.00 0.00 H new ATOM 464 N ARG A 31 1.654 -9.680 -0.139 1.00 0.00 N ATOM 465 CA ARG A 31 2.254 -9.494 1.177 1.00 0.00 C ATOM 466 C ARG A 31 2.753 -8.057 1.264 1.00 0.00 C ATOM 467 O ARG A 31 3.394 -7.564 0.337 1.00 0.00 O ATOM 468 CB ARG A 31 3.376 -10.507 1.434 1.00 0.00 C ATOM 469 CG ARG A 31 3.615 -10.616 2.946 1.00 0.00 C ATOM 470 CD ARG A 31 4.797 -11.513 3.327 1.00 0.00 C ATOM 471 NE ARG A 31 4.657 -12.870 2.783 1.00 0.00 N ATOM 472 CZ ARG A 31 4.351 -13.958 3.503 1.00 0.00 C ATOM 473 NH1 ARG A 31 4.125 -13.880 4.813 1.00 0.00 N ATOM 474 NH2 ARG A 31 4.276 -15.138 2.898 1.00 0.00 N ATOM 0 H ARG A 31 2.272 -10.083 -0.843 1.00 0.00 H new ATOM 0 HA ARG A 31 1.511 -9.672 1.954 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.105 -11.480 1.025 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.290 -10.192 0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.785 -9.618 3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.712 -11.002 3.419 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.722 -11.069 2.959 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.878 -11.564 4.413 1.00 0.00 H new ATOM 0 HE ARG A 31 4.804 -12.994 1.781 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.183 -12.979 5.288 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.894 -14.721 5.342 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.451 -15.209 1.896 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.044 -15.973 3.436 1.00 0.00 H new ATOM 488 N ILE A 32 2.460 -7.386 2.378 1.00 0.00 N ATOM 489 CA ILE A 32 2.698 -5.953 2.514 1.00 0.00 C ATOM 490 C ILE A 32 3.392 -5.677 3.841 1.00 0.00 C ATOM 491 O ILE A 32 3.266 -6.455 4.781 1.00 0.00 O ATOM 492 CB ILE A 32 1.356 -5.205 2.429 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.510 -5.739 1.261 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.585 -3.697 2.268 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.780 -4.952 1.045 1.00 0.00 C ATOM 0 H ILE A 32 2.053 -7.820 3.207 1.00 0.00 H new ATOM 0 HA ILE A 32 3.343 -5.602 1.709 1.00 0.00 H new ATOM 0 HB ILE A 32 0.814 -5.377 3.359 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.104 -5.709 0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.264 -6.784 1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.623 -3.187 2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.144 -3.320 3.124 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.150 -3.510 1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.331 -5.379 0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.392 -5.003 1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.539 -3.911 0.828 1.00 0.00 H new ATOM 507 N GLY A 33 4.124 -4.565 3.908 1.00 0.00 N ATOM 508 CA GLY A 33 4.847 -4.129 5.092 1.00 0.00 C ATOM 509 C GLY A 33 4.483 -2.683 5.402 1.00 0.00 C ATOM 510 O GLY A 33 4.172 -1.905 4.501 1.00 0.00 O ATOM 0 H GLY A 33 4.230 -3.929 3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.598 -4.768 5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.921 -4.219 4.929 1.00 0.00 H new ATOM 514 N ILE A 34 4.521 -2.333 6.684 1.00 0.00 N ATOM 515 CA ILE A 34 4.228 -0.991 7.157 1.00 0.00 C ATOM 516 C ILE A 34 5.257 -0.662 8.219 1.00 0.00 C ATOM 517 O ILE A 34 5.662 -1.535 8.984 1.00 0.00 O ATOM 518 CB ILE A 34 2.809 -0.930 7.736 1.00 0.00 C ATOM 519 CG1 ILE A 34 1.783 -1.379 6.686 1.00 0.00 C ATOM 520 CG2 ILE A 34 2.499 0.495 8.203 1.00 0.00 C ATOM 521 CD1 ILE A 34 0.371 -1.484 7.267 1.00 0.00 C ATOM 0 H ILE A 34 4.760 -2.985 7.431 1.00 0.00 H new ATOM 0 HA ILE A 34 4.276 -0.269 6.342 1.00 0.00 H new ATOM 0 HB ILE A 34 2.748 -1.605 8.590 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.781 -0.672 5.856 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.080 -2.346 6.280 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.490 0.532 8.613 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.214 0.790 8.971 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.572 1.179 7.357 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.320 -1.805 6.488 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.365 -2.211 8.079 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.061 -0.511 7.649 1.00 0.00 H new ATOM 533 N ASN A 35 5.684 0.598 8.277 1.00 0.00 N ATOM 534 CA ASN A 35 6.750 0.986 9.173 1.00 0.00 C ATOM 535 C ASN A 35 6.489 2.387 9.717 1.00 0.00 C ATOM 536 O ASN A 35 6.675 3.380 9.014 1.00 0.00 O ATOM 537 CB ASN A 35 8.065 0.883 8.404 1.00 0.00 C ATOM 538 CG ASN A 35 9.273 0.764 9.324 1.00 0.00 C ATOM 539 OD1 ASN A 35 9.279 1.293 10.433 1.00 0.00 O ATOM 540 ND2 ASN A 35 10.300 0.063 8.859 1.00 0.00 N ATOM 0 H ASN A 35 5.304 1.359 7.713 1.00 0.00 H new ATOM 0 HA ASN A 35 6.803 0.327 10.040 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.029 0.016 7.744 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.181 1.762 7.770 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.138 -0.054 9.429 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.251 -0.359 7.932 1.00 0.00 H new ATOM 547 N ALA A 36 6.055 2.454 10.975 1.00 0.00 N ATOM 548 CA ALA A 36 5.706 3.696 11.639 1.00 0.00 C ATOM 549 C ALA A 36 5.894 3.547 13.153 1.00 0.00 C ATOM 550 O ALA A 36 5.936 2.425 13.658 1.00 0.00 O ATOM 551 CB ALA A 36 4.240 4.001 11.334 1.00 0.00 C ATOM 0 H ALA A 36 5.936 1.631 11.565 1.00 0.00 H new ATOM 0 HA ALA A 36 6.345 4.504 11.285 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.953 4.932 11.823 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.105 4.100 10.257 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.615 3.189 11.704 1.00 0.00 H new ATOM 557 N PRO A 37 6.005 4.662 13.885 1.00 0.00 N ATOM 558 CA PRO A 37 6.063 4.663 15.336 1.00 0.00 C ATOM 559 C PRO A 37 4.732 4.191 15.923 1.00 0.00 C ATOM 560 O PRO A 37 3.693 4.277 15.270 1.00 0.00 O ATOM 561 CB PRO A 37 6.336 6.121 15.721 1.00 0.00 C ATOM 562 CG PRO A 37 5.817 6.929 14.536 1.00 0.00 C ATOM 563 CD PRO A 37 6.090 6.011 13.355 1.00 0.00 C ATOM 0 HA PRO A 37 6.831 3.990 15.718 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.821 6.392 16.643 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.399 6.296 15.886 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.755 7.155 14.635 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.338 7.881 14.437 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.361 6.167 12.560 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.074 6.203 12.927 1.00 0.00 H new ATOM 571 N LYS A 38 4.756 3.691 17.163 1.00 0.00 N ATOM 572 CA LYS A 38 3.529 3.338 17.876 1.00 0.00 C ATOM 573 C LYS A 38 2.725 4.596 18.209 1.00 0.00 C ATOM 574 O LYS A 38 1.654 4.523 18.805 1.00 0.00 O ATOM 575 CB LYS A 38 3.849 2.533 19.138 1.00 0.00 C ATOM 576 CG LYS A 38 4.589 1.234 18.806 1.00 0.00 C ATOM 577 CD LYS A 38 3.855 0.409 17.750 1.00 0.00 C ATOM 578 CE LYS A 38 2.422 0.067 18.163 1.00 0.00 C ATOM 579 NZ LYS A 38 2.389 -0.726 19.407 1.00 0.00 N ATOM 0 H LYS A 38 5.612 3.523 17.691 1.00 0.00 H new ATOM 0 HA LYS A 38 2.918 2.709 17.228 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.457 3.137 19.811 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.924 2.301 19.666 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.592 1.469 18.449 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.705 0.641 19.713 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.837 0.962 16.811 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.406 -0.513 17.567 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.854 0.987 18.302 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.935 -0.490 17.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.415 -1.040 19.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.007 -1.556 19.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.722 -0.141 20.200 1.00 0.00 H new ATOM 593 N ASP A 39 3.266 5.749 17.808 1.00 0.00 N ATOM 594 CA ASP A 39 2.603 7.039 17.898 1.00 0.00 C ATOM 595 C ASP A 39 1.394 7.078 16.962 1.00 0.00 C ATOM 596 O ASP A 39 0.595 8.012 17.017 1.00 0.00 O ATOM 597 CB ASP A 39 3.601 8.127 17.500 1.00 0.00 C ATOM 598 CG ASP A 39 3.112 9.521 17.899 1.00 0.00 C ATOM 599 OD1 ASP A 39 2.869 9.723 19.107 1.00 0.00 O ATOM 600 OD2 ASP A 39 2.986 10.376 16.993 1.00 0.00 O ATOM 0 H ASP A 39 4.200 5.806 17.403 1.00 0.00 H new ATOM 0 HA ASP A 39 2.255 7.203 18.918 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.562 7.930 17.974 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.764 8.094 16.423 1.00 0.00 H new ATOM 605 N VAL A 40 1.263 6.056 16.113 1.00 0.00 N ATOM 606 CA VAL A 40 0.158 5.905 15.179 1.00 0.00 C ATOM 607 C VAL A 40 -0.277 4.442 15.187 1.00 0.00 C ATOM 608 O VAL A 40 0.412 3.591 15.751 1.00 0.00 O ATOM 609 CB VAL A 40 0.565 6.366 13.770 1.00 0.00 C ATOM 610 CG1 VAL A 40 1.223 7.744 13.820 1.00 0.00 C ATOM 611 CG2 VAL A 40 1.539 5.404 13.091 1.00 0.00 C ATOM 0 H VAL A 40 1.941 5.296 16.059 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.679 6.533 15.484 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.357 6.398 13.190 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.503 8.050 12.812 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.522 8.467 14.238 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.114 7.699 14.446 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.791 5.781 12.100 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.446 5.322 13.689 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.075 4.422 12.999 1.00 0.00 H new ATOM 621 N ALA A 41 -1.418 4.133 14.563 1.00 0.00 N ATOM 622 CA ALA A 41 -1.974 2.788 14.605 1.00 0.00 C ATOM 623 C ALA A 41 -2.184 2.247 13.198 1.00 0.00 C ATOM 624 O ALA A 41 -2.323 3.022 12.255 1.00 0.00 O ATOM 625 CB ALA A 41 -3.286 2.820 15.384 1.00 0.00 C ATOM 0 H ALA A 41 -1.970 4.800 14.024 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.275 2.119 15.108 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.711 1.817 15.422 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.099 3.173 16.398 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.987 3.493 14.889 1.00 0.00 H new ATOM 631 N VAL A 42 -2.214 0.915 13.064 1.00 0.00 N ATOM 632 CA VAL A 42 -2.416 0.249 11.783 1.00 0.00 C ATOM 633 C VAL A 42 -3.211 -1.036 11.996 1.00 0.00 C ATOM 634 O VAL A 42 -2.849 -1.852 12.843 1.00 0.00 O ATOM 635 CB VAL A 42 -1.062 -0.053 11.104 1.00 0.00 C ATOM 636 CG1 VAL A 42 -0.119 1.150 11.129 1.00 0.00 C ATOM 637 CG2 VAL A 42 -0.305 -1.210 11.761 1.00 0.00 C ATOM 0 H VAL A 42 -2.098 0.272 13.847 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.979 0.910 11.124 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.333 -0.315 10.081 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.819 0.887 10.640 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.581 1.985 10.603 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.078 1.436 12.162 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.637 -1.372 11.238 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.104 -0.967 12.804 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.909 -2.116 11.709 1.00 0.00 H new ATOM 647 N HIS A 43 -4.290 -1.235 11.232 1.00 0.00 N ATOM 648 CA HIS A 43 -5.049 -2.484 11.304 1.00 0.00 C ATOM 649 C HIS A 43 -5.802 -2.743 10.011 1.00 0.00 C ATOM 650 O HIS A 43 -6.026 -1.828 9.219 1.00 0.00 O ATOM 651 CB HIS A 43 -6.079 -2.469 12.444 1.00 0.00 C ATOM 652 CG HIS A 43 -5.698 -1.682 13.676 1.00 0.00 C ATOM 653 ND1 HIS A 43 -4.968 -2.187 14.753 1.00 0.00 N ATOM 654 CD2 HIS A 43 -6.014 -0.374 13.914 1.00 0.00 C ATOM 655 CE1 HIS A 43 -4.861 -1.166 15.617 1.00 0.00 C ATOM 656 NE2 HIS A 43 -5.484 -0.069 15.142 1.00 0.00 N ATOM 0 H HIS A 43 -4.653 -0.555 10.564 1.00 0.00 H new ATOM 0 HA HIS A 43 -4.315 -3.269 11.484 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.014 -2.066 12.056 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.275 -3.499 12.742 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.595 -3.130 14.860 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -6.570 0.287 13.265 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.346 -1.216 16.565 1.00 0.00 H new ATOM 664 N ARG A 44 -6.194 -4.002 9.803 1.00 0.00 N ATOM 665 CA ARG A 44 -7.072 -4.395 8.712 1.00 0.00 C ATOM 666 C ARG A 44 -8.367 -3.594 8.836 1.00 0.00 C ATOM 667 O ARG A 44 -8.806 -3.311 9.949 1.00 0.00 O ATOM 668 CB ARG A 44 -7.302 -5.905 8.849 1.00 0.00 C ATOM 669 CG ARG A 44 -8.188 -6.519 7.763 1.00 0.00 C ATOM 670 CD ARG A 44 -7.513 -6.475 6.392 1.00 0.00 C ATOM 671 NE ARG A 44 -8.175 -7.406 5.473 1.00 0.00 N ATOM 672 CZ ARG A 44 -9.218 -7.112 4.690 1.00 0.00 C ATOM 673 NH1 ARG A 44 -9.720 -5.881 4.628 1.00 0.00 N ATOM 674 NH2 ARG A 44 -9.770 -8.068 3.955 1.00 0.00 N ATOM 0 H ARG A 44 -5.905 -4.780 10.396 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.651 -4.192 7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.335 -6.408 8.837 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.753 -6.103 9.821 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.419 -7.552 8.022 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.136 -5.982 7.720 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.556 -5.463 5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.459 -6.735 6.489 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.809 -8.357 5.427 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.308 -5.134 5.187 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.517 -5.685 4.022 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.398 -9.017 3.990 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.566 -7.854 3.354 1.00 0.00 H new ATOM 688 N GLU A 45 -8.986 -3.222 7.712 1.00 0.00 N ATOM 689 CA GLU A 45 -10.184 -2.393 7.740 1.00 0.00 C ATOM 690 C GLU A 45 -11.308 -3.050 8.550 1.00 0.00 C ATOM 691 O GLU A 45 -12.108 -2.357 9.178 1.00 0.00 O ATOM 692 CB GLU A 45 -10.611 -2.113 6.296 1.00 0.00 C ATOM 693 CG GLU A 45 -11.596 -0.949 6.190 1.00 0.00 C ATOM 694 CD GLU A 45 -13.011 -1.298 6.637 1.00 0.00 C ATOM 695 OE1 GLU A 45 -13.496 -2.393 6.275 1.00 0.00 O ATOM 696 OE2 GLU A 45 -13.599 -0.455 7.349 1.00 0.00 O ATOM 0 H GLU A 45 -8.675 -3.483 6.776 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.965 -1.451 8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.728 -1.893 5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.067 -3.009 5.875 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.229 -0.119 6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.626 -0.604 5.157 1.00 0.00 H new ATOM 703 N GLU A 46 -11.371 -4.384 8.545 1.00 0.00 N ATOM 704 CA GLU A 46 -12.376 -5.104 9.317 1.00 0.00 C ATOM 705 C GLU A 46 -12.065 -5.030 10.816 1.00 0.00 C ATOM 706 O GLU A 46 -12.975 -4.893 11.629 1.00 0.00 O ATOM 707 CB GLU A 46 -12.417 -6.565 8.856 1.00 0.00 C ATOM 708 CG GLU A 46 -13.544 -7.323 9.558 1.00 0.00 C ATOM 709 CD GLU A 46 -13.583 -8.784 9.120 1.00 0.00 C ATOM 710 OE1 GLU A 46 -14.011 -9.038 7.971 1.00 0.00 O ATOM 711 OE2 GLU A 46 -13.181 -9.643 9.939 1.00 0.00 O ATOM 0 H GLU A 46 -10.738 -4.983 8.015 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.349 -4.642 9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.562 -6.607 7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.462 -7.045 9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.405 -7.268 10.638 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.499 -6.848 9.335 1.00 0.00 H new ATOM 718 N ILE A 47 -10.783 -5.116 11.182 1.00 0.00 N ATOM 719 CA ILE A 47 -10.350 -5.050 12.575 1.00 0.00 C ATOM 720 C ILE A 47 -10.512 -3.627 13.096 1.00 0.00 C ATOM 721 O ILE A 47 -10.776 -3.415 14.279 1.00 0.00 O ATOM 722 CB ILE A 47 -8.881 -5.495 12.668 1.00 0.00 C ATOM 723 CG1 ILE A 47 -8.742 -7.016 12.716 1.00 0.00 C ATOM 724 CG2 ILE A 47 -8.213 -4.966 13.944 1.00 0.00 C ATOM 725 CD1 ILE A 47 -9.515 -7.758 11.625 1.00 0.00 C ATOM 0 H ILE A 47 -10.018 -5.233 10.518 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.962 -5.714 13.186 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.403 -5.093 11.775 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.686 -7.274 12.635 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.083 -7.369 13.689 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.176 -5.300 13.977 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.244 -3.876 13.946 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.744 -5.346 14.817 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.360 -8.831 11.735 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.578 -7.534 11.716 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.159 -7.438 10.646 1.00 0.00 H new ATOM 737 N TYR A 48 -10.352 -2.644 12.216 1.00 0.00 N ATOM 738 CA TYR A 48 -10.452 -1.239 12.566 1.00 0.00 C ATOM 739 C TYR A 48 -11.830 -0.914 13.146 1.00 0.00 C ATOM 740 O TYR A 48 -11.933 -0.099 14.060 1.00 0.00 O ATOM 741 CB TYR A 48 -10.175 -0.445 11.289 1.00 0.00 C ATOM 742 CG TYR A 48 -10.253 1.055 11.417 1.00 0.00 C ATOM 743 CD1 TYR A 48 -9.287 1.755 12.152 1.00 0.00 C ATOM 744 CD2 TYR A 48 -11.295 1.745 10.784 1.00 0.00 C ATOM 745 CE1 TYR A 48 -9.336 3.155 12.220 1.00 0.00 C ATOM 746 CE2 TYR A 48 -11.347 3.145 10.836 1.00 0.00 C ATOM 747 CZ TYR A 48 -10.359 3.858 11.549 1.00 0.00 C ATOM 748 OH TYR A 48 -10.403 5.219 11.592 1.00 0.00 O ATOM 0 H TYR A 48 -10.147 -2.806 11.230 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.730 -0.977 13.340 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.181 -0.708 10.929 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.885 -0.763 10.525 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.505 1.216 12.666 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.060 1.197 10.255 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.591 3.695 12.786 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -12.141 3.677 10.332 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.908 5.538 12.376 1.00 0.00 H new ATOM 1601 N MET C 1 8.206 -2.510 12.037 1.00 0.00 N ATOM 1602 CA MET C 1 7.603 -3.115 10.831 1.00 0.00 C ATOM 1603 C MET C 1 6.396 -3.967 11.210 1.00 0.00 C ATOM 1604 O MET C 1 6.431 -4.669 12.218 1.00 0.00 O ATOM 1605 CB MET C 1 8.618 -3.991 10.093 1.00 0.00 C ATOM 1606 CG MET C 1 8.782 -3.649 8.624 1.00 0.00 C ATOM 1607 SD MET C 1 7.315 -3.929 7.618 1.00 0.00 S ATOM 1608 CE MET C 1 8.135 -4.927 6.353 1.00 0.00 C ATOM 0 H1 MET C 1 9.027 -1.933 11.763 1.00 0.00 H new ATOM 0 H2 MET C 1 7.503 -1.909 12.512 1.00 0.00 H new ATOM 0 H3 MET C 1 8.513 -3.262 12.686 1.00 0.00 H new ATOM 0 HA MET C 1 7.288 -2.303 10.176 1.00 0.00 H new ATOM 0 HB2 MET C 1 9.586 -3.900 10.586 1.00 0.00 H new ATOM 0 HB3 MET C 1 8.312 -5.034 10.180 1.00 0.00 H new ATOM 0 HG2 MET C 1 9.070 -2.601 8.539 1.00 0.00 H new ATOM 0 HG3 MET C 1 9.603 -4.239 8.217 1.00 0.00 H new ATOM 0 HE1 MET C 1 7.388 -5.345 5.678 1.00 0.00 H new ATOM 0 HE2 MET C 1 8.826 -4.302 5.787 1.00 0.00 H new ATOM 0 HE3 MET C 1 8.687 -5.737 6.830 1.00 0.00 H new ATOM 1620 N LEU C 2 5.339 -3.908 10.405 1.00 0.00 N ATOM 1621 CA LEU C 2 4.151 -4.717 10.590 1.00 0.00 C ATOM 1622 C LEU C 2 3.768 -5.262 9.218 1.00 0.00 C ATOM 1623 O LEU C 2 3.472 -4.493 8.306 1.00 0.00 O ATOM 1624 CB LEU C 2 3.078 -3.840 11.250 1.00 0.00 C ATOM 1625 CG LEU C 2 1.765 -4.541 11.612 1.00 0.00 C ATOM 1626 CD1 LEU C 2 0.791 -4.509 10.436 1.00 0.00 C ATOM 1627 CD2 LEU C 2 1.959 -5.986 12.062 1.00 0.00 C ATOM 0 H LEU C 2 5.289 -3.287 9.597 1.00 0.00 H new ATOM 0 HA LEU C 2 4.295 -5.572 11.251 1.00 0.00 H new ATOM 0 HB2 LEU C 2 3.498 -3.408 12.158 1.00 0.00 H new ATOM 0 HB3 LEU C 2 2.851 -3.012 10.579 1.00 0.00 H new ATOM 0 HG LEU C 2 1.354 -3.986 12.455 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -0.134 -5.013 10.716 1.00 0.00 H new ATOM 0 HD12 LEU C 2 0.575 -3.474 10.171 1.00 0.00 H new ATOM 0 HD13 LEU C 2 1.236 -5.017 9.581 1.00 0.00 H new ATOM 0 HD21 LEU C 2 0.991 -6.425 12.304 1.00 0.00 H new ATOM 0 HD22 LEU C 2 2.426 -6.557 11.260 1.00 0.00 H new ATOM 0 HD23 LEU C 2 2.598 -6.010 12.944 1.00 0.00 H new ATOM 1639 N ILE C 3 3.785 -6.589 9.089 1.00 0.00 N ATOM 1640 CA ILE C 3 3.621 -7.271 7.815 1.00 0.00 C ATOM 1641 C ILE C 3 2.276 -7.991 7.791 1.00 0.00 C ATOM 1642 O ILE C 3 1.786 -8.428 8.832 1.00 0.00 O ATOM 1643 CB ILE C 3 4.785 -8.254 7.612 1.00 0.00 C ATOM 1644 CG1 ILE C 3 6.117 -7.510 7.467 1.00 0.00 C ATOM 1645 CG2 ILE C 3 4.583 -9.091 6.350 1.00 0.00 C ATOM 1646 CD1 ILE C 3 6.830 -7.350 8.808 1.00 0.00 C ATOM 0 H ILE C 3 3.915 -7.223 9.877 1.00 0.00 H new ATOM 0 HA ILE C 3 3.634 -6.550 6.998 1.00 0.00 H new ATOM 0 HB ILE C 3 4.808 -8.898 8.491 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.762 -8.052 6.776 1.00 0.00 H new ATOM 0 HG13 ILE C 3 5.938 -6.527 7.032 1.00 0.00 H new ATOM 0 HG21 ILE C 3 5.421 -9.778 6.231 1.00 0.00 H new ATOM 0 HG22 ILE C 3 3.657 -9.660 6.435 1.00 0.00 H new ATOM 0 HG23 ILE C 3 4.527 -8.433 5.482 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.769 -6.818 8.659 1.00 0.00 H new ATOM 0 HD12 ILE C 3 6.197 -6.785 9.492 1.00 0.00 H new ATOM 0 HD13 ILE C 3 7.034 -8.334 9.231 1.00 0.00 H new ATOM 1658 N LEU C 4 1.690 -8.111 6.598 1.00 0.00 N ATOM 1659 CA LEU C 4 0.388 -8.734 6.407 1.00 0.00 C ATOM 1660 C LEU C 4 0.272 -9.376 5.029 1.00 0.00 C ATOM 1661 O LEU C 4 1.189 -9.300 4.219 1.00 0.00 O ATOM 1662 CB LEU C 4 -0.703 -7.661 6.439 1.00 0.00 C ATOM 1663 CG LEU C 4 -0.851 -6.882 7.742 1.00 0.00 C ATOM 1664 CD1 LEU C 4 -1.913 -5.837 7.435 1.00 0.00 C ATOM 1665 CD2 LEU C 4 -1.337 -7.757 8.894 1.00 0.00 C ATOM 0 H LEU C 4 2.113 -7.774 5.733 1.00 0.00 H new ATOM 0 HA LEU C 4 0.277 -9.477 7.196 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -0.506 -6.950 5.637 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -1.657 -8.138 6.216 1.00 0.00 H new ATOM 0 HG LEU C 4 0.107 -6.468 8.056 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -2.088 -5.225 8.320 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -1.573 -5.203 6.616 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -2.840 -6.334 7.149 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -1.425 -7.153 9.797 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -2.310 -8.180 8.644 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -0.624 -8.563 9.065 1.00 0.00 H new ATOM 1677 N THR C 5 -0.881 -10.007 4.791 1.00 0.00 N ATOM 1678 CA THR C 5 -1.313 -10.460 3.477 1.00 0.00 C ATOM 1679 C THR C 5 -2.741 -9.976 3.268 1.00 0.00 C ATOM 1680 O THR C 5 -3.628 -10.238 4.077 1.00 0.00 O ATOM 1681 CB THR C 5 -1.288 -11.980 3.327 1.00 0.00 C ATOM 1682 OG1 THR C 5 -1.575 -12.614 4.549 1.00 0.00 O ATOM 1683 CG2 THR C 5 0.045 -12.493 2.793 1.00 0.00 C ATOM 0 H THR C 5 -1.553 -10.220 5.529 1.00 0.00 H new ATOM 0 HA THR C 5 -0.621 -10.055 2.738 1.00 0.00 H new ATOM 0 HB THR C 5 -2.060 -12.225 2.598 1.00 0.00 H new ATOM 0 HG1 THR C 5 -1.555 -13.586 4.426 1.00 0.00 H new ATOM 0 HG21 THR C 5 0.008 -13.579 2.706 1.00 0.00 H new ATOM 0 HG22 THR C 5 0.237 -12.056 1.813 1.00 0.00 H new ATOM 0 HG23 THR C 5 0.844 -12.211 3.478 1.00 0.00 H new ATOM 1691 N ARG C 6 -2.945 -9.266 2.165 1.00 0.00 N ATOM 1692 CA ARG C 6 -4.262 -8.869 1.703 1.00 0.00 C ATOM 1693 C ARG C 6 -4.399 -9.189 0.225 1.00 0.00 C ATOM 1694 O ARG C 6 -3.437 -9.613 -0.407 1.00 0.00 O ATOM 1695 CB ARG C 6 -4.461 -7.377 1.938 1.00 0.00 C ATOM 1696 CG ARG C 6 -5.749 -7.169 2.731 1.00 0.00 C ATOM 1697 CD ARG C 6 -5.887 -5.688 3.039 1.00 0.00 C ATOM 1698 NE ARG C 6 -5.985 -4.885 1.814 1.00 0.00 N ATOM 1699 CZ ARG C 6 -5.203 -3.834 1.547 1.00 0.00 C ATOM 1700 NH1 ARG C 6 -4.074 -3.630 2.221 1.00 0.00 N ATOM 1701 NH2 ARG C 6 -5.544 -2.966 0.604 1.00 0.00 N ATOM 0 H ARG C 6 -2.188 -8.947 1.561 1.00 0.00 H new ATOM 0 HA ARG C 6 -5.023 -9.418 2.258 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -3.612 -6.965 2.483 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -4.515 -6.849 0.986 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -6.608 -7.519 2.158 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -5.724 -7.748 3.654 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -6.773 -5.525 3.653 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -5.029 -5.356 3.624 1.00 0.00 H new ATOM 0 HE ARG C 6 -6.692 -5.144 1.126 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -3.793 -4.281 2.955 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -3.489 -2.823 2.004 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -6.407 -3.098 0.077 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -4.943 -2.166 0.405 1.00 0.00 H new ATOM 1715 N LYS C 7 -5.592 -8.984 -0.333 1.00 0.00 N ATOM 1716 CA LYS C 7 -5.811 -9.268 -1.743 1.00 0.00 C ATOM 1717 C LYS C 7 -6.699 -8.228 -2.400 1.00 0.00 C ATOM 1718 O LYS C 7 -7.332 -7.428 -1.713 1.00 0.00 O ATOM 1719 CB LYS C 7 -6.370 -10.678 -1.930 1.00 0.00 C ATOM 1720 CG LYS C 7 -7.549 -10.938 -0.997 1.00 0.00 C ATOM 1721 CD LYS C 7 -8.319 -12.159 -1.506 1.00 0.00 C ATOM 1722 CE LYS C 7 -7.405 -13.388 -1.524 1.00 0.00 C ATOM 1723 NZ LYS C 7 -8.119 -14.585 -2.005 1.00 0.00 N ATOM 0 H LYS C 7 -6.408 -8.628 0.165 1.00 0.00 H new ATOM 0 HA LYS C 7 -4.844 -9.217 -2.243 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -6.687 -10.811 -2.964 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -5.585 -11.410 -1.740 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -7.195 -11.111 0.019 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -8.203 -10.067 -0.963 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -9.182 -12.347 -0.867 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -8.701 -11.966 -2.508 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -6.545 -13.194 -2.165 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -7.020 -13.571 -0.521 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -7.472 -15.399 -2.005 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -8.925 -14.784 -1.379 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -8.465 -14.418 -2.972 1.00 0.00 H new ATOM 1737 N VAL C 8 -6.735 -8.253 -3.736 1.00 0.00 N ATOM 1738 CA VAL C 8 -7.336 -7.169 -4.503 1.00 0.00 C ATOM 1739 C VAL C 8 -8.751 -6.837 -4.034 1.00 0.00 C ATOM 1740 O VAL C 8 -9.562 -7.729 -3.790 1.00 0.00 O ATOM 1741 CB VAL C 8 -7.282 -7.442 -6.008 1.00 0.00 C ATOM 1742 CG1 VAL C 8 -5.858 -7.815 -6.412 1.00 0.00 C ATOM 1743 CG2 VAL C 8 -8.222 -8.552 -6.463 1.00 0.00 C ATOM 0 H VAL C 8 -6.355 -9.011 -4.303 1.00 0.00 H new ATOM 0 HA VAL C 8 -6.733 -6.281 -4.314 1.00 0.00 H new ATOM 0 HB VAL C 8 -7.607 -6.522 -6.494 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -5.823 -8.009 -7.484 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -5.184 -6.993 -6.169 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -5.549 -8.710 -5.871 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -8.129 -8.689 -7.540 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -7.961 -9.481 -5.955 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -9.249 -8.282 -6.219 1.00 0.00 H new ATOM 1753 N GLY C 9 -9.032 -5.537 -3.913 1.00 0.00 N ATOM 1754 CA GLY C 9 -10.352 -5.030 -3.557 1.00 0.00 C ATOM 1755 C GLY C 9 -10.536 -4.793 -2.055 1.00 0.00 C ATOM 1756 O GLY C 9 -11.576 -4.276 -1.649 1.00 0.00 O ATOM 0 H GLY C 9 -8.340 -4.803 -4.062 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -10.527 -4.094 -4.088 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -11.108 -5.737 -3.900 1.00 0.00 H new ATOM 1760 N GLU C 10 -9.551 -5.160 -1.228 1.00 0.00 N ATOM 1761 CA GLU C 10 -9.639 -5.003 0.219 1.00 0.00 C ATOM 1762 C GLU C 10 -8.946 -3.718 0.689 1.00 0.00 C ATOM 1763 O GLU C 10 -8.362 -2.992 -0.116 1.00 0.00 O ATOM 1764 CB GLU C 10 -9.022 -6.232 0.891 1.00 0.00 C ATOM 1765 CG GLU C 10 -9.796 -7.502 0.533 1.00 0.00 C ATOM 1766 CD GLU C 10 -11.261 -7.407 0.950 1.00 0.00 C ATOM 1767 OE1 GLU C 10 -11.510 -7.030 2.116 1.00 0.00 O ATOM 1768 OE2 GLU C 10 -12.127 -7.712 0.100 1.00 0.00 O ATOM 0 H GLU C 10 -8.674 -5.573 -1.547 1.00 0.00 H new ATOM 0 HA GLU C 10 -10.688 -4.920 0.502 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -7.982 -6.336 0.581 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -9.020 -6.096 1.973 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -9.734 -7.675 -0.541 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -9.334 -8.360 1.021 1.00 0.00 H new ATOM 1775 N SER C 11 -9.002 -3.427 1.996 1.00 0.00 N ATOM 1776 CA SER C 11 -8.470 -2.183 2.536 1.00 0.00 C ATOM 1777 C SER C 11 -7.823 -2.351 3.909 1.00 0.00 C ATOM 1778 O SER C 11 -7.997 -3.377 4.569 1.00 0.00 O ATOM 1779 CB SER C 11 -9.604 -1.158 2.648 1.00 0.00 C ATOM 1780 OG SER C 11 -10.186 -0.922 1.384 1.00 0.00 O ATOM 0 H SER C 11 -9.414 -4.044 2.696 1.00 0.00 H new ATOM 0 HA SER C 11 -7.693 -1.846 1.850 1.00 0.00 H new ATOM 0 HB2 SER C 11 -10.362 -1.521 3.342 1.00 0.00 H new ATOM 0 HB3 SER C 11 -9.218 -0.224 3.057 1.00 0.00 H new ATOM 0 HG SER C 11 -10.909 -0.267 1.474 1.00 0.00 H new ATOM 1786 N ILE C 12 -7.079 -1.317 4.324 1.00 0.00 N ATOM 1787 CA ILE C 12 -6.387 -1.210 5.606 1.00 0.00 C ATOM 1788 C ILE C 12 -6.469 0.245 6.079 1.00 0.00 C ATOM 1789 O ILE C 12 -6.760 1.128 5.274 1.00 0.00 O ATOM 1790 CB ILE C 12 -4.924 -1.670 5.426 1.00 0.00 C ATOM 1791 CG1 ILE C 12 -4.917 -3.196 5.305 1.00 0.00 C ATOM 1792 CG2 ILE C 12 -4.000 -1.241 6.570 1.00 0.00 C ATOM 1793 CD1 ILE C 12 -3.503 -3.782 5.252 1.00 0.00 C ATOM 0 H ILE C 12 -6.939 -0.492 3.741 1.00 0.00 H new ATOM 0 HA ILE C 12 -6.849 -1.847 6.360 1.00 0.00 H new ATOM 0 HB ILE C 12 -4.535 -1.190 4.528 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -5.451 -3.625 6.152 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -5.460 -3.487 4.405 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.989 -1.599 6.375 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -3.992 -0.153 6.643 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -4.361 -1.665 7.507 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -3.562 -4.867 5.166 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -2.974 -3.378 4.389 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -2.966 -3.519 6.163 1.00 0.00 H new ATOM 1805 N ASN C 13 -6.217 0.503 7.369 1.00 0.00 N ATOM 1806 CA ASN C 13 -6.277 1.848 7.925 1.00 0.00 C ATOM 1807 C ASN C 13 -4.981 2.186 8.665 1.00 0.00 C ATOM 1808 O ASN C 13 -4.339 1.290 9.216 1.00 0.00 O ATOM 1809 CB ASN C 13 -7.475 1.943 8.870 1.00 0.00 C ATOM 1810 CG ASN C 13 -7.862 3.396 9.108 1.00 0.00 C ATOM 1811 OD1 ASN C 13 -7.324 4.052 9.994 1.00 0.00 O ATOM 1812 ND2 ASN C 13 -8.800 3.896 8.308 1.00 0.00 N ATOM 0 H ASN C 13 -5.967 -0.216 8.048 1.00 0.00 H new ATOM 0 HA ASN C 13 -6.395 2.568 7.115 1.00 0.00 H new ATOM 0 HB2 ASN C 13 -8.321 1.401 8.447 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -7.233 1.466 9.820 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -9.101 4.864 8.418 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -9.218 3.311 7.585 1.00 0.00 H new ATOM 1819 N ILE C 14 -4.604 3.470 8.676 1.00 0.00 N ATOM 1820 CA ILE C 14 -3.372 3.936 9.302 1.00 0.00 C ATOM 1821 C ILE C 14 -3.577 5.320 9.917 1.00 0.00 C ATOM 1822 O ILE C 14 -4.308 6.148 9.377 1.00 0.00 O ATOM 1823 CB ILE C 14 -2.245 4.015 8.253 1.00 0.00 C ATOM 1824 CG1 ILE C 14 -1.991 2.629 7.640 1.00 0.00 C ATOM 1825 CG2 ILE C 14 -0.960 4.565 8.887 1.00 0.00 C ATOM 1826 CD1 ILE C 14 -0.873 2.650 6.598 1.00 0.00 C ATOM 0 H ILE C 14 -5.152 4.215 8.247 1.00 0.00 H new ATOM 0 HA ILE C 14 -3.097 3.230 10.086 1.00 0.00 H new ATOM 0 HB ILE C 14 -2.555 4.695 7.459 1.00 0.00 H new ATOM 0 HG12 ILE C 14 -1.733 1.926 8.432 1.00 0.00 H new ATOM 0 HG13 ILE C 14 -2.909 2.265 7.177 1.00 0.00 H new ATOM 0 HG21 ILE C 14 -0.174 4.614 8.133 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -1.147 5.564 9.281 1.00 0.00 H new ATOM 0 HG23 ILE C 14 -0.644 3.908 9.698 1.00 0.00 H new ATOM 0 HD11 ILE C 14 -0.732 1.647 6.195 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -1.141 3.331 5.790 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.053 2.987 7.064 1.00 0.00 H new ATOM 1838 N GLY C 15 -2.922 5.570 11.055 1.00 0.00 N ATOM 1839 CA GLY C 15 -2.867 6.879 11.699 1.00 0.00 C ATOM 1840 C GLY C 15 -4.234 7.485 12.023 1.00 0.00 C ATOM 1841 O GLY C 15 -4.303 8.671 12.340 1.00 0.00 O ATOM 0 H GLY C 15 -2.406 4.851 11.562 1.00 0.00 H new ATOM 0 HA2 GLY C 15 -2.294 6.792 12.622 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -2.324 7.566 11.051 1.00 0.00 H new ATOM 1845 N ASP C 16 -5.304 6.690 11.946 1.00 0.00 N ATOM 1846 CA ASP C 16 -6.676 7.132 12.180 1.00 0.00 C ATOM 1847 C ASP C 16 -7.097 8.313 11.290 1.00 0.00 C ATOM 1848 O ASP C 16 -8.128 8.933 11.535 1.00 0.00 O ATOM 1849 CB ASP C 16 -6.872 7.407 13.675 1.00 0.00 C ATOM 1850 CG ASP C 16 -8.347 7.561 14.032 1.00 0.00 C ATOM 1851 OD1 ASP C 16 -9.150 6.726 13.555 1.00 0.00 O ATOM 1852 OD2 ASP C 16 -8.665 8.510 14.785 1.00 0.00 O ATOM 0 H ASP C 16 -5.236 5.699 11.714 1.00 0.00 H new ATOM 0 HA ASP C 16 -7.348 6.326 11.885 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -6.441 6.591 14.255 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -6.334 8.314 13.952 1.00 0.00 H new ATOM 1857 N ASP C 17 -6.306 8.627 10.257 1.00 0.00 N ATOM 1858 CA ASP C 17 -6.623 9.676 9.292 1.00 0.00 C ATOM 1859 C ASP C 17 -6.198 9.259 7.885 1.00 0.00 C ATOM 1860 O ASP C 17 -6.273 10.059 6.955 1.00 0.00 O ATOM 1861 CB ASP C 17 -5.951 11.004 9.660 1.00 0.00 C ATOM 1862 CG ASP C 17 -6.442 11.559 10.997 1.00 0.00 C ATOM 1863 OD1 ASP C 17 -7.612 12.000 11.047 1.00 0.00 O ATOM 1864 OD2 ASP C 17 -5.644 11.538 11.962 1.00 0.00 O ATOM 0 H ASP C 17 -5.422 8.154 10.070 1.00 0.00 H new ATOM 0 HA ASP C 17 -7.703 9.821 9.315 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -4.871 10.861 9.704 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -6.144 11.735 8.874 1.00 0.00 H new ATOM 1869 N ILE C 18 -5.753 8.008 7.713 1.00 0.00 N ATOM 1870 CA ILE C 18 -5.300 7.496 6.429 1.00 0.00 C ATOM 1871 C ILE C 18 -5.927 6.127 6.195 1.00 0.00 C ATOM 1872 O ILE C 18 -6.179 5.373 7.138 1.00 0.00 O ATOM 1873 CB ILE C 18 -3.766 7.392 6.390 1.00 0.00 C ATOM 1874 CG1 ILE C 18 -3.082 8.732 6.682 1.00 0.00 C ATOM 1875 CG2 ILE C 18 -3.309 6.890 5.014 1.00 0.00 C ATOM 1876 CD1 ILE C 18 -2.727 8.852 8.168 1.00 0.00 C ATOM 0 H ILE C 18 -5.700 7.325 8.469 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.607 8.184 5.641 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.476 6.688 7.170 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -2.178 8.822 6.080 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -3.740 9.551 6.394 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -2.221 6.819 4.995 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.740 5.907 4.824 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -3.641 7.587 4.244 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -2.243 9.811 8.350 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -3.636 8.785 8.766 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.049 8.045 8.447 1.00 0.00 H new ATOM 1888 N THR C 19 -6.177 5.809 4.925 1.00 0.00 N ATOM 1889 CA THR C 19 -6.742 4.528 4.528 1.00 0.00 C ATOM 1890 C THR C 19 -6.005 4.067 3.276 1.00 0.00 C ATOM 1891 O THR C 19 -5.493 4.892 2.521 1.00 0.00 O ATOM 1892 CB THR C 19 -8.243 4.676 4.273 1.00 0.00 C ATOM 1893 OG1 THR C 19 -8.848 5.415 5.313 1.00 0.00 O ATOM 1894 CG2 THR C 19 -8.926 3.311 4.221 1.00 0.00 C ATOM 0 H THR C 19 -5.991 6.437 4.143 1.00 0.00 H new ATOM 0 HA THR C 19 -6.621 3.785 5.316 1.00 0.00 H new ATOM 0 HB THR C 19 -8.359 5.189 3.318 1.00 0.00 H new ATOM 0 HG1 THR C 19 -9.808 5.503 5.136 1.00 0.00 H new ATOM 0 HG21 THR C 19 -9.992 3.444 4.039 1.00 0.00 H new ATOM 0 HG22 THR C 19 -8.492 2.717 3.417 1.00 0.00 H new ATOM 0 HG23 THR C 19 -8.782 2.796 5.171 1.00 0.00 H new ATOM 1902 N ILE C 20 -5.950 2.754 3.061 1.00 0.00 N ATOM 1903 CA ILE C 20 -5.215 2.158 1.956 1.00 0.00 C ATOM 1904 C ILE C 20 -6.111 1.131 1.272 1.00 0.00 C ATOM 1905 O ILE C 20 -6.884 0.451 1.946 1.00 0.00 O ATOM 1906 CB ILE C 20 -3.954 1.472 2.504 1.00 0.00 C ATOM 1907 CG1 ILE C 20 -3.058 2.429 3.302 1.00 0.00 C ATOM 1908 CG2 ILE C 20 -3.151 0.833 1.367 1.00 0.00 C ATOM 1909 CD1 ILE C 20 -2.416 3.516 2.440 1.00 0.00 C ATOM 0 H ILE C 20 -6.420 2.071 3.656 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.922 2.923 1.237 1.00 0.00 H new ATOM 0 HB ILE C 20 -4.295 0.697 3.191 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -3.650 2.900 4.087 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -2.273 1.855 3.795 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -2.262 0.352 1.775 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -3.766 0.089 0.861 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.853 1.603 0.655 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -1.796 4.158 3.066 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -1.798 3.053 1.671 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.196 4.114 1.968 1.00 0.00 H new ATOM 1921 N THR C 21 -6.008 1.017 -0.054 1.00 0.00 N ATOM 1922 CA THR C 21 -6.773 0.034 -0.809 1.00 0.00 C ATOM 1923 C THR C 21 -5.858 -0.638 -1.828 1.00 0.00 C ATOM 1924 O THR C 21 -4.928 -0.019 -2.342 1.00 0.00 O ATOM 1925 CB THR C 21 -7.961 0.721 -1.497 1.00 0.00 C ATOM 1926 OG1 THR C 21 -8.666 1.506 -0.562 1.00 0.00 O ATOM 1927 CG2 THR C 21 -8.930 -0.306 -2.075 1.00 0.00 C ATOM 0 H THR C 21 -5.397 1.600 -0.626 1.00 0.00 H new ATOM 0 HA THR C 21 -7.167 -0.730 -0.139 1.00 0.00 H new ATOM 0 HB THR C 21 -7.564 1.340 -2.302 1.00 0.00 H new ATOM 0 HG1 THR C 21 -9.422 1.943 -1.006 1.00 0.00 H new ATOM 0 HG21 THR C 21 -9.762 0.209 -2.556 1.00 0.00 H new ATOM 0 HG22 THR C 21 -8.411 -0.923 -2.809 1.00 0.00 H new ATOM 0 HG23 THR C 21 -9.310 -0.939 -1.273 1.00 0.00 H new ATOM 1935 N ILE C 22 -6.128 -1.913 -2.119 1.00 0.00 N ATOM 1936 CA ILE C 22 -5.337 -2.715 -3.047 1.00 0.00 C ATOM 1937 C ILE C 22 -6.149 -2.872 -4.331 1.00 0.00 C ATOM 1938 O ILE C 22 -6.924 -3.812 -4.489 1.00 0.00 O ATOM 1939 CB ILE C 22 -4.912 -4.032 -2.371 1.00 0.00 C ATOM 1940 CG1 ILE C 22 -4.173 -5.005 -3.292 1.00 0.00 C ATOM 1941 CG2 ILE C 22 -6.091 -4.813 -1.787 1.00 0.00 C ATOM 1942 CD1 ILE C 22 -3.096 -4.302 -4.108 1.00 0.00 C ATOM 0 H ILE C 22 -6.912 -2.421 -1.710 1.00 0.00 H new ATOM 0 HA ILE C 22 -4.398 -2.234 -3.322 1.00 0.00 H new ATOM 0 HB ILE C 22 -4.241 -3.685 -1.586 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -3.719 -5.797 -2.696 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -4.886 -5.482 -3.965 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -5.727 -5.730 -1.325 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -6.595 -4.204 -1.036 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -6.793 -5.062 -2.583 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -2.594 -5.027 -4.749 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.553 -3.528 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.368 -3.848 -3.435 1.00 0.00 H new ATOM 1954 N LEU C 23 -5.963 -1.926 -5.253 1.00 0.00 N ATOM 1955 CA LEU C 23 -6.830 -1.778 -6.410 1.00 0.00 C ATOM 1956 C LEU C 23 -6.712 -2.954 -7.374 1.00 0.00 C ATOM 1957 O LEU C 23 -7.640 -3.211 -8.140 1.00 0.00 O ATOM 1958 CB LEU C 23 -6.516 -0.458 -7.119 1.00 0.00 C ATOM 1959 CG LEU C 23 -6.405 0.713 -6.135 1.00 0.00 C ATOM 1960 CD1 LEU C 23 -6.268 2.015 -6.910 1.00 0.00 C ATOM 1961 CD2 LEU C 23 -7.635 0.837 -5.237 1.00 0.00 C ATOM 0 H LEU C 23 -5.206 -1.244 -5.213 1.00 0.00 H new ATOM 0 HA LEU C 23 -7.862 -1.765 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.581 -0.557 -7.671 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.297 -0.245 -7.849 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.532 0.521 -5.511 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.189 2.848 -6.211 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -5.373 1.976 -7.531 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.144 2.155 -7.544 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.507 1.681 -4.559 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.520 0.997 -5.852 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -7.757 -0.079 -4.658 1.00 0.00 H new ATOM 1973 N GLY C 24 -5.586 -3.668 -7.342 1.00 0.00 N ATOM 1974 CA GLY C 24 -5.425 -4.862 -8.152 1.00 0.00 C ATOM 1975 C GLY C 24 -3.962 -5.253 -8.304 1.00 0.00 C ATOM 1976 O GLY C 24 -3.074 -4.578 -7.786 1.00 0.00 O ATOM 0 H GLY C 24 -4.778 -3.436 -6.764 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -5.975 -5.686 -7.697 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -5.860 -4.693 -9.137 1.00 0.00 H new ATOM 1980 N VAL C 25 -3.713 -6.349 -9.025 1.00 0.00 N ATOM 1981 CA VAL C 25 -2.351 -6.774 -9.334 1.00 0.00 C ATOM 1982 C VAL C 25 -2.143 -6.856 -10.838 1.00 0.00 C ATOM 1983 O VAL C 25 -3.095 -6.902 -11.614 1.00 0.00 O ATOM 1984 CB VAL C 25 -2.011 -8.125 -8.692 1.00 0.00 C ATOM 1985 CG1 VAL C 25 -2.276 -8.125 -7.189 1.00 0.00 C ATOM 1986 CG2 VAL C 25 -2.798 -9.251 -9.360 1.00 0.00 C ATOM 0 H VAL C 25 -4.439 -6.957 -9.405 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.681 -6.023 -8.915 1.00 0.00 H new ATOM 0 HB VAL C 25 -0.945 -8.293 -8.843 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -2.022 -9.101 -6.775 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -1.666 -7.358 -6.712 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -3.330 -7.916 -7.005 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -2.543 -10.201 -8.891 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -3.866 -9.065 -9.247 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -2.547 -9.291 -10.420 1.00 0.00 H new ATOM 1996 N SER C 26 -0.871 -6.881 -11.235 1.00 0.00 N ATOM 1997 CA SER C 26 -0.444 -6.953 -12.618 1.00 0.00 C ATOM 1998 C SER C 26 0.912 -7.653 -12.659 1.00 0.00 C ATOM 1999 O SER C 26 1.907 -7.083 -13.109 1.00 0.00 O ATOM 2000 CB SER C 26 -0.337 -5.549 -13.211 1.00 0.00 C ATOM 2001 OG SER C 26 -1.576 -4.875 -13.149 1.00 0.00 O ATOM 0 H SER C 26 -0.092 -6.850 -10.578 1.00 0.00 H new ATOM 0 HA SER C 26 -1.170 -7.511 -13.208 1.00 0.00 H new ATOM 0 HB2 SER C 26 0.418 -4.979 -12.670 1.00 0.00 H new ATOM 0 HB3 SER C 26 -0.006 -5.613 -14.247 1.00 0.00 H new ATOM 0 HG SER C 26 -1.480 -3.979 -13.533 1.00 0.00 H new ATOM 2007 N GLY C 27 0.954 -8.898 -12.178 1.00 0.00 N ATOM 2008 CA GLY C 27 2.203 -9.630 -12.099 1.00 0.00 C ATOM 2009 C GLY C 27 3.041 -9.063 -10.964 1.00 0.00 C ATOM 2010 O GLY C 27 2.526 -8.823 -9.873 1.00 0.00 O ATOM 0 H GLY C 27 0.139 -9.410 -11.841 1.00 0.00 H new ATOM 0 HA2 GLY C 27 2.008 -10.689 -11.930 1.00 0.00 H new ATOM 0 HA3 GLY C 27 2.745 -9.552 -13.042 1.00 0.00 H new ATOM 2014 N GLN C 28 4.332 -8.841 -11.217 1.00 0.00 N ATOM 2015 CA GLN C 28 5.223 -8.251 -10.226 1.00 0.00 C ATOM 2016 C GLN C 28 4.820 -6.811 -9.913 1.00 0.00 C ATOM 2017 O GLN C 28 5.340 -6.244 -8.954 1.00 0.00 O ATOM 2018 CB GLN C 28 6.673 -8.300 -10.719 1.00 0.00 C ATOM 2019 CG GLN C 28 7.296 -9.675 -10.456 1.00 0.00 C ATOM 2020 CD GLN C 28 6.380 -10.822 -10.864 1.00 0.00 C ATOM 2021 OE1 GLN C 28 6.242 -11.132 -12.045 1.00 0.00 O ATOM 2022 NE2 GLN C 28 5.743 -11.457 -9.880 1.00 0.00 N ATOM 0 H GLN C 28 4.782 -9.063 -12.105 1.00 0.00 H new ATOM 0 HA GLN C 28 5.141 -8.833 -9.308 1.00 0.00 H new ATOM 0 HB2 GLN C 28 6.706 -8.080 -11.786 1.00 0.00 H new ATOM 0 HB3 GLN C 28 7.258 -7.530 -10.217 1.00 0.00 H new ATOM 0 HG2 GLN C 28 8.236 -9.754 -11.002 1.00 0.00 H new ATOM 0 HG3 GLN C 28 7.534 -9.765 -9.396 1.00 0.00 H new ATOM 0 HE21 GLN C 28 5.884 -11.169 -8.912 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.114 -12.231 -10.095 1.00 0.00 H new ATOM 2031 N GLN C 29 3.915 -6.206 -10.690 1.00 0.00 N ATOM 2032 CA GLN C 29 3.463 -4.853 -10.424 1.00 0.00 C ATOM 2033 C GLN C 29 2.116 -4.907 -9.722 1.00 0.00 C ATOM 2034 O GLN C 29 1.320 -5.812 -9.969 1.00 0.00 O ATOM 2035 CB GLN C 29 3.402 -4.088 -11.748 1.00 0.00 C ATOM 2036 CG GLN C 29 3.172 -2.596 -11.506 1.00 0.00 C ATOM 2037 CD GLN C 29 3.526 -1.797 -12.749 1.00 0.00 C ATOM 2038 OE1 GLN C 29 4.696 -1.525 -13.001 1.00 0.00 O ATOM 2039 NE2 GLN C 29 2.524 -1.418 -13.536 1.00 0.00 N ATOM 0 H GLN C 29 3.486 -6.640 -11.507 1.00 0.00 H new ATOM 0 HA GLN C 29 4.154 -4.327 -9.765 1.00 0.00 H new ATOM 0 HB2 GLN C 29 4.331 -4.232 -12.299 1.00 0.00 H new ATOM 0 HB3 GLN C 29 2.599 -4.488 -12.367 1.00 0.00 H new ATOM 0 HG2 GLN C 29 2.130 -2.421 -11.238 1.00 0.00 H new ATOM 0 HG3 GLN C 29 3.778 -2.260 -10.665 1.00 0.00 H new ATOM 0 HE21 GLN C 29 1.564 -1.663 -13.293 1.00 0.00 H new ATOM 0 HE22 GLN C 29 2.715 -0.882 -14.383 1.00 0.00 H new ATOM 2048 N VAL C 30 1.860 -3.937 -8.848 1.00 0.00 N ATOM 2049 CA VAL C 30 0.637 -3.912 -8.068 1.00 0.00 C ATOM 2050 C VAL C 30 0.091 -2.489 -8.035 1.00 0.00 C ATOM 2051 O VAL C 30 0.840 -1.559 -7.743 1.00 0.00 O ATOM 2052 CB VAL C 30 0.960 -4.400 -6.650 1.00 0.00 C ATOM 2053 CG1 VAL C 30 -0.314 -4.494 -5.818 1.00 0.00 C ATOM 2054 CG2 VAL C 30 1.606 -5.789 -6.674 1.00 0.00 C ATOM 0 H VAL C 30 2.490 -3.156 -8.665 1.00 0.00 H new ATOM 0 HA VAL C 30 -0.118 -4.561 -8.511 1.00 0.00 H new ATOM 0 HB VAL C 30 1.652 -3.680 -6.213 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -0.068 -4.842 -4.815 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.782 -3.512 -5.757 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -1.004 -5.196 -6.287 1.00 0.00 H new ATOM 0 HG21 VAL C 30 1.823 -6.107 -5.654 1.00 0.00 H new ATOM 0 HG22 VAL C 30 0.923 -6.500 -7.138 1.00 0.00 H new ATOM 0 HG23 VAL C 30 2.533 -5.749 -7.247 1.00 0.00 H new ATOM 2064 N ARG C 31 -1.204 -2.315 -8.332 1.00 0.00 N ATOM 2065 CA ARG C 31 -1.820 -0.998 -8.294 1.00 0.00 C ATOM 2066 C ARG C 31 -2.464 -0.808 -6.927 1.00 0.00 C ATOM 2067 O ARG C 31 -3.258 -1.635 -6.476 1.00 0.00 O ATOM 2068 CB ARG C 31 -2.832 -0.821 -9.432 1.00 0.00 C ATOM 2069 CG ARG C 31 -3.205 0.666 -9.526 1.00 0.00 C ATOM 2070 CD ARG C 31 -4.167 0.977 -10.675 1.00 0.00 C ATOM 2071 NE ARG C 31 -3.576 0.649 -11.977 1.00 0.00 N ATOM 2072 CZ ARG C 31 -4.045 1.099 -13.147 1.00 0.00 C ATOM 2073 NH1 ARG C 31 -5.118 1.884 -13.195 1.00 0.00 N ATOM 2074 NH2 ARG C 31 -3.431 0.764 -14.278 1.00 0.00 N ATOM 0 H ARG C 31 -1.836 -3.070 -8.599 1.00 0.00 H new ATOM 0 HA ARG C 31 -1.060 -0.231 -8.443 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -2.406 -1.165 -10.375 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -3.721 -1.423 -9.245 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -3.659 0.980 -8.586 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -2.296 1.254 -9.653 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -5.090 0.412 -10.541 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -4.434 2.034 -10.651 1.00 0.00 H new ATOM 0 HE ARG C 31 -2.757 0.041 -11.992 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -5.594 2.150 -12.333 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -5.465 2.220 -14.094 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -2.605 0.166 -14.252 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -3.786 1.105 -15.171 1.00 0.00 H new ATOM 2088 N ILE C 32 -2.109 0.296 -6.268 1.00 0.00 N ATOM 2089 CA ILE C 32 -2.480 0.537 -4.883 1.00 0.00 C ATOM 2090 C ILE C 32 -3.014 1.959 -4.764 1.00 0.00 C ATOM 2091 O ILE C 32 -2.661 2.820 -5.574 1.00 0.00 O ATOM 2092 CB ILE C 32 -1.248 0.342 -3.979 1.00 0.00 C ATOM 2093 CG1 ILE C 32 -0.399 -0.859 -4.441 1.00 0.00 C ATOM 2094 CG2 ILE C 32 -1.693 0.172 -2.524 1.00 0.00 C ATOM 2095 CD1 ILE C 32 0.776 -1.145 -3.506 1.00 0.00 C ATOM 0 H ILE C 32 -1.556 1.045 -6.684 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.252 -0.165 -4.568 1.00 0.00 H new ATOM 0 HB ILE C 32 -0.620 1.230 -4.053 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -1.032 -1.744 -4.503 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -0.021 -0.667 -5.445 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -0.817 0.034 -1.889 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -2.237 1.060 -2.204 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.342 -0.700 -2.441 1.00 0.00 H new ATOM 0 HD11 ILE C 32 1.339 -2.000 -3.880 1.00 0.00 H new ATOM 0 HD12 ILE C 32 1.428 -0.272 -3.463 1.00 0.00 H new ATOM 0 HD13 ILE C 32 0.400 -1.367 -2.507 1.00 0.00 H new ATOM 2107 N GLY C 33 -3.858 2.211 -3.763 1.00 0.00 N ATOM 2108 CA GLY C 33 -4.453 3.518 -3.552 1.00 0.00 C ATOM 2109 C GLY C 33 -4.260 3.966 -2.110 1.00 0.00 C ATOM 2110 O GLY C 33 -4.105 3.137 -1.214 1.00 0.00 O ATOM 0 H GLY C 33 -4.144 1.510 -3.079 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -4.000 4.243 -4.228 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -5.516 3.482 -3.789 1.00 0.00 H new ATOM 2114 N ILE C 34 -4.275 5.285 -1.903 1.00 0.00 N ATOM 2115 CA ILE C 34 -4.070 5.893 -0.603 1.00 0.00 C ATOM 2116 C ILE C 34 -5.095 7.009 -0.439 1.00 0.00 C ATOM 2117 O ILE C 34 -5.441 7.683 -1.407 1.00 0.00 O ATOM 2118 CB ILE C 34 -2.638 6.446 -0.500 1.00 0.00 C ATOM 2119 CG1 ILE C 34 -1.612 5.345 -0.800 1.00 0.00 C ATOM 2120 CG2 ILE C 34 -2.401 7.016 0.903 1.00 0.00 C ATOM 2121 CD1 ILE C 34 -0.185 5.891 -0.875 1.00 0.00 C ATOM 0 H ILE C 34 -4.433 5.962 -2.649 1.00 0.00 H new ATOM 0 HA ILE C 34 -4.198 5.155 0.189 1.00 0.00 H new ATOM 0 HB ILE C 34 -2.517 7.241 -1.236 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -1.666 4.579 -0.026 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -1.865 4.862 -1.744 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -1.385 7.406 0.970 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -3.112 7.820 1.094 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -2.537 6.228 1.644 1.00 0.00 H new ATOM 0 HD11 ILE C 34 0.506 5.076 -1.089 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -0.122 6.637 -1.667 1.00 0.00 H new ATOM 0 HD13 ILE C 34 0.080 6.350 0.078 1.00 0.00 H new ATOM 2133 N ASN C 35 -5.580 7.203 0.786 1.00 0.00 N ATOM 2134 CA ASN C 35 -6.583 8.216 1.058 1.00 0.00 C ATOM 2135 C ASN C 35 -6.285 8.870 2.402 1.00 0.00 C ATOM 2136 O ASN C 35 -6.444 8.251 3.450 1.00 0.00 O ATOM 2137 CB ASN C 35 -7.961 7.550 1.034 1.00 0.00 C ATOM 2138 CG ASN C 35 -9.095 8.562 1.066 1.00 0.00 C ATOM 2139 OD1 ASN C 35 -8.886 9.740 1.342 1.00 0.00 O ATOM 2140 ND2 ASN C 35 -10.308 8.102 0.785 1.00 0.00 N ATOM 0 H ASN C 35 -5.290 6.667 1.604 1.00 0.00 H new ATOM 0 HA ASN C 35 -6.568 9.001 0.302 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -8.050 6.937 0.137 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.052 6.879 1.888 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.108 8.735 0.794 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -10.440 7.116 0.560 1.00 0.00 H new ATOM 2147 N ALA C 36 -5.855 10.133 2.352 1.00 0.00 N ATOM 2148 CA ALA C 36 -5.487 10.905 3.528 1.00 0.00 C ATOM 2149 C ALA C 36 -5.736 12.391 3.263 1.00 0.00 C ATOM 2150 O ALA C 36 -5.834 12.801 2.105 1.00 0.00 O ATOM 2151 CB ALA C 36 -3.999 10.682 3.801 1.00 0.00 C ATOM 0 H ALA C 36 -5.753 10.650 1.479 1.00 0.00 H new ATOM 0 HA ALA C 36 -6.082 10.591 4.386 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -3.701 11.253 4.680 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -3.816 9.622 3.977 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -3.418 11.012 2.940 1.00 0.00 H new ATOM 2157 N PRO C 37 -5.839 13.206 4.319 1.00 0.00 N ATOM 2158 CA PRO C 37 -5.940 14.650 4.200 1.00 0.00 C ATOM 2159 C PRO C 37 -4.640 15.234 3.655 1.00 0.00 C ATOM 2160 O PRO C 37 -3.573 14.646 3.820 1.00 0.00 O ATOM 2161 CB PRO C 37 -6.196 15.148 5.628 1.00 0.00 C ATOM 2162 CG PRO C 37 -5.615 14.053 6.519 1.00 0.00 C ATOM 2163 CD PRO C 37 -5.864 12.792 5.707 1.00 0.00 C ATOM 0 HA PRO C 37 -6.731 14.951 3.513 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -5.710 16.107 5.808 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -7.260 15.290 5.815 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -4.553 14.208 6.710 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -6.111 14.015 7.489 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -5.099 12.042 5.905 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -6.824 12.344 5.964 1.00 0.00 H new ATOM 2171 N LYS C 38 -4.718 16.403 3.005 1.00 0.00 N ATOM 2172 CA LYS C 38 -3.524 17.124 2.576 1.00 0.00 C ATOM 2173 C LYS C 38 -2.746 17.639 3.781 1.00 0.00 C ATOM 2174 O LYS C 38 -1.701 18.268 3.635 1.00 0.00 O ATOM 2175 CB LYS C 38 -3.898 18.254 1.610 1.00 0.00 C ATOM 2176 CG LYS C 38 -4.623 17.722 0.370 1.00 0.00 C ATOM 2177 CD LYS C 38 -3.829 16.626 -0.338 1.00 0.00 C ATOM 2178 CE LYS C 38 -2.457 17.105 -0.811 1.00 0.00 C ATOM 2179 NZ LYS C 38 -2.575 18.215 -1.779 1.00 0.00 N ATOM 0 H LYS C 38 -5.596 16.864 2.768 1.00 0.00 H new ATOM 0 HA LYS C 38 -2.871 16.436 2.038 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -4.535 18.975 2.122 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -2.996 18.785 1.305 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.598 17.331 0.661 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -4.803 18.543 -0.324 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -3.701 15.781 0.338 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -4.399 16.266 -1.194 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -1.868 17.430 0.047 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -1.919 16.276 -1.271 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -1.642 18.414 -2.194 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -3.240 17.949 -2.533 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -2.926 19.064 -1.292 1.00 0.00 H new ATOM 2193 N ASP C 39 -3.276 17.363 4.974 1.00 0.00 N ATOM 2194 CA ASP C 39 -2.624 17.634 6.244 1.00 0.00 C ATOM 2195 C ASP C 39 -1.381 16.754 6.396 1.00 0.00 C ATOM 2196 O ASP C 39 -0.565 16.968 7.292 1.00 0.00 O ATOM 2197 CB ASP C 39 -3.619 17.324 7.363 1.00 0.00 C ATOM 2198 CG ASP C 39 -3.163 17.915 8.694 1.00 0.00 C ATOM 2199 OD1 ASP C 39 -3.002 19.156 8.750 1.00 0.00 O ATOM 2200 OD2 ASP C 39 -2.979 17.127 9.644 1.00 0.00 O ATOM 0 H ASP C 39 -4.195 16.934 5.080 1.00 0.00 H new ATOM 0 HA ASP C 39 -2.313 18.678 6.290 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -4.599 17.725 7.102 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -3.732 16.244 7.462 1.00 0.00 H new ATOM 2205 N VAL C 40 -1.248 15.760 5.509 1.00 0.00 N ATOM 2206 CA VAL C 40 -0.127 14.833 5.466 1.00 0.00 C ATOM 2207 C VAL C 40 0.260 14.614 4.006 1.00 0.00 C ATOM 2208 O VAL C 40 -0.470 15.023 3.104 1.00 0.00 O ATOM 2209 CB VAL C 40 -0.486 13.512 6.163 1.00 0.00 C ATOM 2210 CG1 VAL C 40 -1.032 13.769 7.570 1.00 0.00 C ATOM 2211 CG2 VAL C 40 -1.538 12.711 5.395 1.00 0.00 C ATOM 0 H VAL C 40 -1.942 15.579 4.783 1.00 0.00 H new ATOM 0 HA VAL C 40 0.725 15.249 6.003 1.00 0.00 H new ATOM 0 HB VAL C 40 0.439 12.937 6.205 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -1.279 12.819 8.044 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -0.278 14.285 8.164 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -1.928 14.386 7.505 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -1.755 11.787 5.931 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -2.450 13.301 5.305 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.160 12.473 4.401 1.00 0.00 H new ATOM 2221 N ALA C 41 1.401 13.966 3.762 1.00 0.00 N ATOM 2222 CA ALA C 41 1.925 13.825 2.413 1.00 0.00 C ATOM 2223 C ALA C 41 2.085 12.359 2.025 1.00 0.00 C ATOM 2224 O ALA C 41 2.131 11.486 2.889 1.00 0.00 O ATOM 2225 CB ALA C 41 3.263 14.553 2.328 1.00 0.00 C ATOM 0 H ALA C 41 1.976 13.533 4.485 1.00 0.00 H new ATOM 0 HA ALA C 41 1.218 14.266 1.710 1.00 0.00 H new ATOM 0 HB1 ALA C 41 3.667 14.455 1.320 1.00 0.00 H new ATOM 0 HB2 ALA C 41 3.118 15.608 2.560 1.00 0.00 H new ATOM 0 HB3 ALA C 41 3.961 14.117 3.043 1.00 0.00 H new ATOM 2231 N VAL C 42 2.169 12.093 0.722 1.00 0.00 N ATOM 2232 CA VAL C 42 2.393 10.752 0.199 1.00 0.00 C ATOM 2233 C VAL C 42 3.198 10.861 -1.092 1.00 0.00 C ATOM 2234 O VAL C 42 2.865 11.669 -1.955 1.00 0.00 O ATOM 2235 CB VAL C 42 1.060 10.019 -0.062 1.00 0.00 C ATOM 2236 CG1 VAL C 42 0.143 10.041 1.161 1.00 0.00 C ATOM 2237 CG2 VAL C 42 0.263 10.624 -1.218 1.00 0.00 C ATOM 0 H VAL C 42 2.083 12.807 -0.001 1.00 0.00 H new ATOM 0 HA VAL C 42 2.944 10.170 0.938 1.00 0.00 H new ATOM 0 HB VAL C 42 1.357 8.999 -0.307 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -0.783 9.514 0.931 1.00 0.00 H new ATOM 0 HG12 VAL C 42 0.641 9.552 1.998 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -0.084 11.073 1.427 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -0.663 10.066 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL C 42 0.030 11.665 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL C 42 0.853 10.573 -2.133 1.00 0.00 H new ATOM 2247 N HIS C 43 4.254 10.056 -1.242 1.00 0.00 N ATOM 2248 CA HIS C 43 5.023 10.057 -2.484 1.00 0.00 C ATOM 2249 C HIS C 43 5.693 8.709 -2.719 1.00 0.00 C ATOM 2250 O HIS C 43 5.803 7.890 -1.807 1.00 0.00 O ATOM 2251 CB HIS C 43 6.115 11.137 -2.486 1.00 0.00 C ATOM 2252 CG HIS C 43 5.769 12.429 -1.784 1.00 0.00 C ATOM 2253 ND1 HIS C 43 5.115 13.512 -2.381 1.00 0.00 N ATOM 2254 CD2 HIS C 43 6.044 12.730 -0.476 1.00 0.00 C ATOM 2255 CE1 HIS C 43 5.000 14.435 -1.415 1.00 0.00 C ATOM 2256 NE2 HIS C 43 5.550 13.994 -0.265 1.00 0.00 N ATOM 0 H HIS C 43 4.590 9.407 -0.531 1.00 0.00 H new ATOM 0 HA HIS C 43 4.308 10.266 -3.280 1.00 0.00 H new ATOM 0 HB2 HIS C 43 7.009 10.722 -2.021 1.00 0.00 H new ATOM 0 HB3 HIS C 43 6.370 11.366 -3.521 1.00 0.00 H new ATOM 0 HD1 HIS C 43 4.794 13.584 -3.346 1.00 0.00 H new ATOM 0 HD2 HIS C 43 6.547 12.101 0.243 1.00 0.00 H new ATOM 0 HE1 HIS C 43 4.531 15.400 -1.541 1.00 0.00 H new ATOM 2264 N ARG C 44 6.138 8.488 -3.957 1.00 0.00 N ATOM 2265 CA ARG C 44 6.981 7.354 -4.302 1.00 0.00 C ATOM 2266 C ARG C 44 8.283 7.492 -3.521 1.00 0.00 C ATOM 2267 O ARG C 44 8.719 8.609 -3.257 1.00 0.00 O ATOM 2268 CB ARG C 44 7.232 7.378 -5.811 1.00 0.00 C ATOM 2269 CG ARG C 44 5.953 7.023 -6.572 1.00 0.00 C ATOM 2270 CD ARG C 44 6.130 7.258 -8.075 1.00 0.00 C ATOM 2271 NE ARG C 44 6.042 8.687 -8.406 1.00 0.00 N ATOM 2272 CZ ARG C 44 6.697 9.270 -9.414 1.00 0.00 C ATOM 2273 NH1 ARG C 44 7.543 8.583 -10.179 1.00 0.00 N ATOM 2274 NH2 ARG C 44 6.517 10.563 -9.668 1.00 0.00 N ATOM 0 H ARG C 44 5.920 9.095 -4.747 1.00 0.00 H new ATOM 0 HA ARG C 44 6.511 6.404 -4.048 1.00 0.00 H new ATOM 0 HB2 ARG C 44 7.579 8.366 -6.112 1.00 0.00 H new ATOM 0 HB3 ARG C 44 8.022 6.671 -6.066 1.00 0.00 H new ATOM 0 HG2 ARG C 44 5.695 5.980 -6.391 1.00 0.00 H new ATOM 0 HG3 ARG C 44 5.124 7.626 -6.200 1.00 0.00 H new ATOM 0 HD2 ARG C 44 7.096 6.867 -8.395 1.00 0.00 H new ATOM 0 HD3 ARG C 44 5.366 6.708 -8.624 1.00 0.00 H new ATOM 0 HE ARG C 44 5.440 9.273 -7.827 1.00 0.00 H new ATOM 0 HH11 ARG C 44 7.702 7.591 -10.001 1.00 0.00 H new ATOM 0 HH12 ARG C 44 8.032 9.048 -10.943 1.00 0.00 H new ATOM 0 HH21 ARG C 44 5.878 11.112 -9.093 1.00 0.00 H new ATOM 0 HH22 ARG C 44 7.018 11.006 -10.438 1.00 0.00 H new ATOM 2288 N GLU C 45 8.910 6.378 -3.148 1.00 0.00 N ATOM 2289 CA GLU C 45 10.118 6.424 -2.330 1.00 0.00 C ATOM 2290 C GLU C 45 11.228 7.196 -3.046 1.00 0.00 C ATOM 2291 O GLU C 45 12.049 7.847 -2.402 1.00 0.00 O ATOM 2292 CB GLU C 45 10.537 4.983 -2.011 1.00 0.00 C ATOM 2293 CG GLU C 45 11.563 4.904 -0.879 1.00 0.00 C ATOM 2294 CD GLU C 45 12.965 5.342 -1.286 1.00 0.00 C ATOM 2295 OE1 GLU C 45 13.414 4.941 -2.383 1.00 0.00 O ATOM 2296 OE2 GLU C 45 13.581 6.082 -0.485 1.00 0.00 O ATOM 0 H GLU C 45 8.603 5.438 -3.398 1.00 0.00 H new ATOM 0 HA GLU C 45 9.924 6.954 -1.397 1.00 0.00 H new ATOM 0 HB2 GLU C 45 9.655 4.404 -1.737 1.00 0.00 H new ATOM 0 HB3 GLU C 45 10.954 4.523 -2.907 1.00 0.00 H new ATOM 0 HG2 GLU C 45 11.224 5.526 -0.051 1.00 0.00 H new ATOM 0 HG3 GLU C 45 11.605 3.879 -0.511 1.00 0.00 H new ATOM 2303 N GLU C 46 11.260 7.134 -4.378 1.00 0.00 N ATOM 2304 CA GLU C 46 12.238 7.849 -5.183 1.00 0.00 C ATOM 2305 C GLU C 46 11.996 9.355 -5.102 1.00 0.00 C ATOM 2306 O GLU C 46 12.939 10.136 -4.975 1.00 0.00 O ATOM 2307 CB GLU C 46 12.131 7.410 -6.648 1.00 0.00 C ATOM 2308 CG GLU C 46 12.299 5.900 -6.837 1.00 0.00 C ATOM 2309 CD GLU C 46 10.960 5.163 -6.911 1.00 0.00 C ATOM 2310 OE1 GLU C 46 10.172 5.275 -5.951 1.00 0.00 O ATOM 2311 OE2 GLU C 46 10.726 4.483 -7.934 1.00 0.00 O ATOM 0 H GLU C 46 10.602 6.581 -4.927 1.00 0.00 H new ATOM 0 HA GLU C 46 13.232 7.619 -4.798 1.00 0.00 H new ATOM 0 HB2 GLU C 46 11.161 7.714 -7.042 1.00 0.00 H new ATOM 0 HB3 GLU C 46 12.890 7.930 -7.233 1.00 0.00 H new ATOM 0 HG2 GLU C 46 12.863 5.713 -7.750 1.00 0.00 H new ATOM 0 HG3 GLU C 46 12.886 5.497 -6.011 1.00 0.00 H new ATOM 2318 N ILE C 47 10.725 9.761 -5.172 1.00 0.00 N ATOM 2319 CA ILE C 47 10.339 11.166 -5.118 1.00 0.00 C ATOM 2320 C ILE C 47 10.542 11.705 -3.710 1.00 0.00 C ATOM 2321 O ILE C 47 10.967 12.845 -3.533 1.00 0.00 O ATOM 2322 CB ILE C 47 8.861 11.278 -5.522 1.00 0.00 C ATOM 2323 CG1 ILE C 47 8.677 11.273 -7.042 1.00 0.00 C ATOM 2324 CG2 ILE C 47 8.250 12.590 -5.020 1.00 0.00 C ATOM 2325 CD1 ILE C 47 9.434 10.152 -7.765 1.00 0.00 C ATOM 0 H ILE C 47 9.937 9.121 -5.268 1.00 0.00 H new ATOM 0 HA ILE C 47 10.955 11.752 -5.801 1.00 0.00 H new ATOM 0 HB ILE C 47 8.370 10.413 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE C 47 7.614 11.182 -7.267 1.00 0.00 H new ATOM 0 HG13 ILE C 47 9.006 12.233 -7.439 1.00 0.00 H new ATOM 0 HG21 ILE C 47 7.203 12.642 -5.320 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.318 12.631 -3.933 1.00 0.00 H new ATOM 0 HG23 ILE C 47 8.793 13.432 -5.449 1.00 0.00 H new ATOM 0 HD11 ILE C 47 9.249 10.221 -8.837 1.00 0.00 H new ATOM 0 HD12 ILE C 47 10.502 10.252 -7.574 1.00 0.00 H new ATOM 0 HD13 ILE C 47 9.089 9.185 -7.399 1.00 0.00 H new ATOM 2337 N TYR C 48 10.240 10.876 -2.712 1.00 0.00 N ATOM 2338 CA TYR C 48 10.279 11.244 -1.307 1.00 0.00 C ATOM 2339 C TYR C 48 11.624 11.846 -0.919 1.00 0.00 C ATOM 2340 O TYR C 48 11.677 12.762 -0.101 1.00 0.00 O ATOM 2341 CB TYR C 48 9.997 9.980 -0.498 1.00 0.00 C ATOM 2342 CG TYR C 48 10.063 10.165 0.994 1.00 0.00 C ATOM 2343 CD1 TYR C 48 9.016 10.812 1.663 1.00 0.00 C ATOM 2344 CD2 TYR C 48 11.168 9.687 1.708 1.00 0.00 C ATOM 2345 CE1 TYR C 48 9.053 10.951 3.058 1.00 0.00 C ATOM 2346 CE2 TYR C 48 11.203 9.801 3.100 1.00 0.00 C ATOM 2347 CZ TYR C 48 10.142 10.432 3.784 1.00 0.00 C ATOM 2348 OH TYR C 48 10.174 10.540 5.142 1.00 0.00 O ATOM 0 H TYR C 48 9.956 9.909 -2.867 1.00 0.00 H new ATOM 0 HA TYR C 48 9.530 12.009 -1.103 1.00 0.00 H new ATOM 0 HB2 TYR C 48 9.007 9.609 -0.762 1.00 0.00 H new ATOM 0 HB3 TYR C 48 10.713 9.211 -0.788 1.00 0.00 H new ATOM 0 HD1 TYR C 48 8.179 11.204 1.104 1.00 0.00 H new ATOM 0 HD2 TYR C 48 11.994 9.230 1.183 1.00 0.00 H new ATOM 0 HE1 TYR C 48 8.249 11.455 3.574 1.00 0.00 H new ATOM 0 HE2 TYR C 48 12.042 9.406 3.653 1.00 0.00 H new ATOM 0 HH TYR C 48 10.995 10.128 5.484 1.00 0.00 H new