USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 844 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= 0.0295 K(o=0.025,f=-1.6!) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc=-0.00413 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0.0399 USER MOD Set 2.2: C 21 THR OG1 : rot -70:sc= 0.0392 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.0678 K(o=-0.068,f=-1.2!) 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= 0.131 USER MOD Set 4.2: A 21 THR OG1 : rot -69:sc= 0.134 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -162:sc= -0.0523 (180deg=-0.402) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.884 X(o=-0.88,f=-0.59) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 35 ASN : amide:sc= -0.0299 K(o=-0.03,f=-1.6) USER MOD Single : A 38 LYS NZ :NH3+ -170:sc=-0.00248 (180deg=-0.124) USER MOD Single : A 43 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-2) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.877 K(o=0.88,f=0) USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) 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+ -164:sc= -0.0364 (180deg=-0.295) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.27) USER MOD Single : C 29 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : C 35 ASN : amide:sc= -0.0241 K(o=-0.024,f=-1.8) USER MOD Single : C 38 LYS NZ :NH3+ -171:sc=-0.00579 (180deg=-0.102) USER MOD Single : C 43 HIS : no HE2:sc= -1.22 K(o=-1.2,f=-2) USER MOD Single : C 48 TYR OH : rot 4:sc= 1.08 USER MOD Single : C 49 GLN : amide:sc= 0.997 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.987 3.087 -1.786 1.00 0.00 N ATOM 2 CA MET A 1 -11.990 2.559 -0.839 1.00 0.00 C ATOM 3 C MET A 1 -12.016 1.041 -0.817 1.00 0.00 C ATOM 4 O MET A 1 -13.059 0.459 -0.546 1.00 0.00 O ATOM 5 CB MET A 1 -12.262 3.057 0.582 1.00 0.00 C ATOM 6 CG MET A 1 -11.252 2.467 1.570 1.00 0.00 C ATOM 7 SD MET A 1 -9.619 3.237 1.536 1.00 0.00 S ATOM 8 CE MET A 1 -9.988 4.584 2.693 1.00 0.00 C ATOM 0 H1 MET A 1 -12.951 4.126 -1.784 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.778 2.735 -2.742 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.937 2.773 -1.501 1.00 0.00 H new ATOM 0 HA MET A 1 -11.015 2.912 -1.175 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.208 4.145 0.607 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.273 2.781 0.881 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.658 2.554 2.578 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.141 1.403 1.362 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.101 5.203 2.826 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.799 5.194 2.295 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.286 4.166 3.655 1.00 0.00 H new ATOM 20 N LEU A 2 -10.879 0.402 -1.096 1.00 0.00 N ATOM 21 CA LEU A 2 -10.760 -1.042 -1.026 1.00 0.00 C ATOM 22 C LEU A 2 -9.627 -1.353 -0.050 1.00 0.00 C ATOM 23 O LEU A 2 -8.456 -1.179 -0.382 1.00 0.00 O ATOM 24 CB LEU A 2 -10.511 -1.593 -2.436 1.00 0.00 C ATOM 25 CG LEU A 2 -10.612 -3.118 -2.577 1.00 0.00 C ATOM 26 CD1 LEU A 2 -9.217 -3.712 -2.668 1.00 0.00 C ATOM 27 CD2 LEU A 2 -11.338 -3.816 -1.427 1.00 0.00 C ATOM 0 H LEU A 2 -10.020 0.876 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.669 -1.521 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.227 -1.134 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.518 -1.281 -2.759 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.199 -3.286 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.289 -4.795 -2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.702 -3.301 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.658 -3.467 -1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -11.362 -4.890 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.813 -3.619 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.358 -3.437 -1.357 1.00 0.00 H new ATOM 39 N ILE A 3 -9.987 -1.806 1.157 1.00 0.00 N ATOM 40 CA ILE A 3 -9.026 -2.151 2.191 1.00 0.00 C ATOM 41 C ILE A 3 -8.505 -3.559 1.940 1.00 0.00 C ATOM 42 O ILE A 3 -9.228 -4.420 1.439 1.00 0.00 O ATOM 43 CB ILE A 3 -9.657 -2.103 3.594 1.00 0.00 C ATOM 44 CG1 ILE A 3 -10.061 -0.687 3.999 1.00 0.00 C ATOM 45 CG2 ILE A 3 -8.603 -2.571 4.604 1.00 0.00 C ATOM 46 CD1 ILE A 3 -11.468 -0.336 3.531 1.00 0.00 C ATOM 0 H ILE A 3 -10.958 -1.941 1.437 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.216 -1.422 2.152 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.546 -2.733 3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.006 -0.591 5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.351 0.026 3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.025 -2.546 5.609 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.296 -3.589 4.364 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.737 -1.911 4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.712 0.680 3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.518 -0.405 2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.182 -1.031 3.972 1.00 0.00 H new ATOM 58 N LEU A 4 -7.241 -3.778 2.301 1.00 0.00 N ATOM 59 CA LEU A 4 -6.597 -5.077 2.274 1.00 0.00 C ATOM 60 C LEU A 4 -5.712 -5.179 3.510 1.00 0.00 C ATOM 61 O LEU A 4 -5.367 -4.159 4.110 1.00 0.00 O ATOM 62 CB LEU A 4 -5.752 -5.214 0.999 1.00 0.00 C ATOM 63 CG LEU A 4 -6.592 -5.138 -0.278 1.00 0.00 C ATOM 64 CD1 LEU A 4 -5.669 -5.126 -1.493 1.00 0.00 C ATOM 65 CD2 LEU A 4 -7.525 -6.340 -0.397 1.00 0.00 C ATOM 0 H LEU A 4 -6.626 -3.033 2.628 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.339 -5.876 2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.999 -4.426 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.219 -6.164 1.022 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.188 -4.227 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.266 -5.072 -2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.009 -4.260 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.071 -6.037 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.109 -6.258 -1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.936 -7.257 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.198 -6.365 0.460 1.00 0.00 H new ATOM 77 N THR A 5 -5.334 -6.398 3.895 1.00 0.00 N ATOM 78 CA THR A 5 -4.416 -6.600 5.007 1.00 0.00 C ATOM 79 C THR A 5 -3.187 -7.329 4.501 1.00 0.00 C ATOM 80 O THR A 5 -3.279 -8.179 3.616 1.00 0.00 O ATOM 81 CB THR A 5 -5.072 -7.380 6.147 1.00 0.00 C ATOM 82 OG1 THR A 5 -5.666 -8.566 5.669 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.136 -6.527 6.825 1.00 0.00 C ATOM 0 H THR A 5 -5.652 -7.259 3.450 1.00 0.00 H new ATOM 0 HA THR A 5 -4.132 -5.627 5.409 1.00 0.00 H new ATOM 0 HB THR A 5 -4.295 -7.638 6.866 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.078 -9.049 6.415 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.595 -7.094 7.635 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.676 -5.625 7.229 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.899 -6.251 6.097 1.00 0.00 H new ATOM 91 N ARG A 6 -2.029 -6.992 5.069 1.00 0.00 N ATOM 92 CA ARG A 6 -0.774 -7.576 4.626 1.00 0.00 C ATOM 93 C ARG A 6 0.196 -7.701 5.795 1.00 0.00 C ATOM 94 O ARG A 6 0.308 -6.776 6.596 1.00 0.00 O ATOM 95 CB ARG A 6 -0.222 -6.646 3.538 1.00 0.00 C ATOM 96 CG ARG A 6 0.750 -7.315 2.567 1.00 0.00 C ATOM 97 CD ARG A 6 0.068 -8.299 1.611 1.00 0.00 C ATOM 98 NE ARG A 6 -0.182 -9.608 2.225 1.00 0.00 N ATOM 99 CZ ARG A 6 -0.953 -10.557 1.690 1.00 0.00 C ATOM 100 NH1 ARG A 6 -1.563 -10.376 0.523 1.00 0.00 N ATOM 101 NH2 ARG A 6 -1.121 -11.713 2.322 1.00 0.00 N ATOM 0 H ARG A 6 -1.939 -6.321 5.832 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.918 -8.582 4.232 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.057 -6.235 2.971 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.282 -5.807 4.017 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.258 -6.546 1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.516 -7.843 3.136 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.878 -7.874 1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.692 -8.431 0.727 1.00 0.00 H new ATOM 0 HE ARG A 6 0.263 -9.806 3.121 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.446 -9.498 0.017 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.148 -11.115 0.133 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.661 -11.876 3.217 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.711 -12.437 1.912 1.00 0.00 H new ATOM 115 N LYS A 7 0.899 -8.835 5.903 1.00 0.00 N ATOM 116 CA LYS A 7 1.938 -9.017 6.906 1.00 0.00 C ATOM 117 C LYS A 7 3.243 -8.490 6.310 1.00 0.00 C ATOM 118 O LYS A 7 3.423 -8.539 5.091 1.00 0.00 O ATOM 119 CB LYS A 7 2.070 -10.508 7.248 1.00 0.00 C ATOM 120 CG LYS A 7 2.339 -10.793 8.729 1.00 0.00 C ATOM 121 CD LYS A 7 1.125 -10.461 9.603 1.00 0.00 C ATOM 122 CE LYS A 7 1.326 -10.935 11.046 1.00 0.00 C ATOM 123 NZ LYS A 7 1.486 -12.399 11.131 1.00 0.00 N ATOM 0 H LYS A 7 0.760 -9.644 5.298 1.00 0.00 H new ATOM 0 HA LYS A 7 1.696 -8.480 7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.154 -11.019 6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.879 -10.935 6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.601 -11.844 8.855 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.197 -10.208 9.062 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.952 -9.385 9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.235 -10.931 9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.206 -10.449 11.468 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.472 -10.628 11.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.315 -12.711 12.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.804 -12.860 10.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.452 -12.660 10.849 1.00 0.00 H new ATOM 137 N VAL A 8 4.162 -7.984 7.136 1.00 0.00 N ATOM 138 CA VAL A 8 5.422 -7.474 6.605 1.00 0.00 C ATOM 139 C VAL A 8 6.126 -8.584 5.824 1.00 0.00 C ATOM 140 O VAL A 8 6.258 -9.704 6.317 1.00 0.00 O ATOM 141 CB VAL A 8 6.314 -6.892 7.710 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.555 -5.801 8.466 1.00 0.00 C ATOM 143 CG2 VAL A 8 6.782 -7.935 8.715 1.00 0.00 C ATOM 0 H VAL A 8 4.060 -7.918 8.149 1.00 0.00 H new ATOM 0 HA VAL A 8 5.211 -6.648 5.925 1.00 0.00 H new ATOM 0 HB VAL A 8 7.196 -6.490 7.212 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.192 -5.391 9.249 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.274 -5.007 7.774 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.657 -6.226 8.914 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.408 -7.458 9.469 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.917 -8.390 9.197 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.357 -8.705 8.200 1.00 0.00 H new ATOM 153 N GLY A 9 6.578 -8.271 4.607 1.00 0.00 N ATOM 154 CA GLY A 9 7.262 -9.228 3.753 1.00 0.00 C ATOM 155 C GLY A 9 6.391 -9.744 2.606 1.00 0.00 C ATOM 156 O GLY A 9 6.858 -10.563 1.818 1.00 0.00 O ATOM 0 H GLY A 9 6.477 -7.345 4.192 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.156 -8.762 3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.593 -10.073 4.357 1.00 0.00 H new ATOM 160 N GLU A 10 5.141 -9.283 2.496 1.00 0.00 N ATOM 161 CA GLU A 10 4.231 -9.712 1.436 1.00 0.00 C ATOM 162 C GLU A 10 3.942 -8.553 0.475 1.00 0.00 C ATOM 163 O GLU A 10 4.511 -7.471 0.630 1.00 0.00 O ATOM 164 CB GLU A 10 2.950 -10.272 2.058 1.00 0.00 C ATOM 165 CG GLU A 10 3.232 -11.450 2.993 1.00 0.00 C ATOM 166 CD GLU A 10 1.935 -11.969 3.616 1.00 0.00 C ATOM 167 OE1 GLU A 10 1.153 -11.124 4.113 1.00 0.00 O ATOM 168 OE2 GLU A 10 1.734 -13.203 3.590 1.00 0.00 O ATOM 0 H GLU A 10 4.735 -8.603 3.139 1.00 0.00 H new ATOM 0 HA GLU A 10 4.698 -10.504 0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.442 -9.483 2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.273 -10.592 1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.721 -12.251 2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.920 -11.140 3.779 1.00 0.00 H new ATOM 175 N SER A 11 3.067 -8.763 -0.519 1.00 0.00 N ATOM 176 CA SER A 11 2.849 -7.774 -1.571 1.00 0.00 C ATOM 177 C SER A 11 1.380 -7.640 -1.992 1.00 0.00 C ATOM 178 O SER A 11 0.526 -8.441 -1.611 1.00 0.00 O ATOM 179 CB SER A 11 3.687 -8.158 -2.791 1.00 0.00 C ATOM 180 OG SER A 11 5.064 -8.128 -2.471 1.00 0.00 O ATOM 0 H SER A 11 2.503 -9.608 -0.612 1.00 0.00 H new ATOM 0 HA SER A 11 3.148 -6.807 -1.166 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.408 -9.155 -3.133 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.483 -7.471 -3.612 1.00 0.00 H new ATOM 0 HG SER A 11 5.589 -8.377 -3.260 1.00 0.00 H new ATOM 186 N ILE A 12 1.110 -6.604 -2.793 1.00 0.00 N ATOM 187 CA ILE A 12 -0.204 -6.232 -3.310 1.00 0.00 C ATOM 188 C ILE A 12 -0.004 -5.697 -4.735 1.00 0.00 C ATOM 189 O ILE A 12 1.125 -5.394 -5.114 1.00 0.00 O ATOM 190 CB ILE A 12 -0.845 -5.186 -2.372 1.00 0.00 C ATOM 191 CG1 ILE A 12 -1.007 -5.778 -0.964 1.00 0.00 C ATOM 192 CG2 ILE A 12 -2.203 -4.704 -2.886 1.00 0.00 C ATOM 193 CD1 ILE A 12 -1.658 -4.800 0.015 1.00 0.00 C ATOM 0 H ILE A 12 1.843 -5.971 -3.113 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.883 -7.084 -3.347 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.179 -4.324 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.611 -6.684 -1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.029 -6.071 -0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.614 -3.970 -2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.079 -4.247 -3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.884 -5.551 -2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.748 -5.271 0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.042 -3.904 0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.649 -4.527 -0.348 1.00 0.00 H new ATOM 205 N ASN A 13 -1.074 -5.575 -5.529 1.00 0.00 N ATOM 206 CA ASN A 13 -0.973 -5.142 -6.917 1.00 0.00 C ATOM 207 C ASN A 13 -2.056 -4.135 -7.291 1.00 0.00 C ATOM 208 O ASN A 13 -3.139 -4.106 -6.706 1.00 0.00 O ATOM 209 CB ASN A 13 -1.065 -6.366 -7.828 1.00 0.00 C ATOM 210 CG ASN A 13 0.265 -7.097 -7.898 1.00 0.00 C ATOM 211 OD1 ASN A 13 0.456 -8.126 -7.259 1.00 0.00 O ATOM 212 ND2 ASN A 13 1.197 -6.563 -8.682 1.00 0.00 N ATOM 0 H ASN A 13 -2.027 -5.774 -5.224 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.013 -4.642 -7.044 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.836 -7.042 -7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.367 -6.057 -8.829 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.109 -7.011 -8.768 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.999 -5.705 -9.198 1.00 0.00 H new ATOM 219 N ILE A 14 -1.734 -3.306 -8.288 1.00 0.00 N ATOM 220 CA ILE A 14 -2.615 -2.270 -8.812 1.00 0.00 C ATOM 221 C ILE A 14 -2.438 -2.203 -10.329 1.00 0.00 C ATOM 222 O ILE A 14 -1.330 -2.386 -10.834 1.00 0.00 O ATOM 223 CB ILE A 14 -2.281 -0.917 -8.164 1.00 0.00 C ATOM 224 CG1 ILE A 14 -2.387 -1.012 -6.635 1.00 0.00 C ATOM 225 CG2 ILE A 14 -3.233 0.159 -8.702 1.00 0.00 C ATOM 226 CD1 ILE A 14 -2.029 0.305 -5.945 1.00 0.00 C ATOM 0 H ILE A 14 -0.831 -3.341 -8.761 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.653 -2.506 -8.578 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.256 -0.645 -8.416 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.402 -1.299 -6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.725 -1.800 -6.275 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.995 1.118 -8.242 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.120 0.237 -9.783 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.261 -0.113 -8.464 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.119 0.186 -4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.004 0.580 -6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.708 1.089 -6.282 1.00 0.00 H new ATOM 238 N GLY A 15 -3.528 -1.940 -11.053 1.00 0.00 N ATOM 239 CA GLY A 15 -3.503 -1.909 -12.504 1.00 0.00 C ATOM 240 C GLY A 15 -2.956 -3.228 -13.045 1.00 0.00 C ATOM 241 O GLY A 15 -3.257 -4.301 -12.522 1.00 0.00 O ATOM 0 H GLY A 15 -4.443 -1.745 -10.647 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.508 -1.737 -12.890 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.884 -1.081 -12.848 1.00 0.00 H new ATOM 245 N ASP A 16 -2.141 -3.133 -14.094 1.00 0.00 N ATOM 246 CA ASP A 16 -1.464 -4.275 -14.691 1.00 0.00 C ATOM 247 C ASP A 16 0.028 -3.965 -14.853 1.00 0.00 C ATOM 248 O ASP A 16 0.759 -4.702 -15.513 1.00 0.00 O ATOM 249 CB ASP A 16 -2.139 -4.630 -16.017 1.00 0.00 C ATOM 250 CG ASP A 16 -1.648 -5.971 -16.558 1.00 0.00 C ATOM 251 OD1 ASP A 16 -1.691 -6.960 -15.790 1.00 0.00 O ATOM 252 OD2 ASP A 16 -1.233 -5.998 -17.740 1.00 0.00 O ATOM 0 H ASP A 16 -1.932 -2.248 -14.557 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.542 -5.147 -14.041 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.219 -4.667 -15.877 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.939 -3.847 -16.748 1.00 0.00 H new ATOM 257 N ASP A 17 0.480 -2.859 -14.244 1.00 0.00 N ATOM 258 CA ASP A 17 1.850 -2.385 -14.357 1.00 0.00 C ATOM 259 C ASP A 17 2.391 -1.874 -13.016 1.00 0.00 C ATOM 260 O ASP A 17 3.469 -1.285 -12.993 1.00 0.00 O ATOM 261 CB ASP A 17 1.919 -1.274 -15.409 1.00 0.00 C ATOM 262 CG ASP A 17 1.504 -1.766 -16.790 1.00 0.00 C ATOM 263 OD1 ASP A 17 2.365 -2.366 -17.469 1.00 0.00 O ATOM 264 OD2 ASP A 17 0.328 -1.538 -17.155 1.00 0.00 O ATOM 0 H ASP A 17 -0.108 -2.269 -13.655 1.00 0.00 H new ATOM 0 HA ASP A 17 2.474 -3.225 -14.661 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.272 -0.450 -15.109 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.935 -0.881 -15.455 1.00 0.00 H new ATOM 269 N ILE A 18 1.674 -2.081 -11.903 1.00 0.00 N ATOM 270 CA ILE A 18 2.140 -1.606 -10.603 1.00 0.00 C ATOM 271 C ILE A 18 2.058 -2.722 -9.565 1.00 0.00 C ATOM 272 O ILE A 18 1.164 -3.566 -9.601 1.00 0.00 O ATOM 273 CB ILE A 18 1.338 -0.372 -10.156 1.00 0.00 C ATOM 274 CG1 ILE A 18 1.418 0.783 -11.166 1.00 0.00 C ATOM 275 CG2 ILE A 18 1.873 0.132 -8.813 1.00 0.00 C ATOM 276 CD1 ILE A 18 0.283 0.711 -12.192 1.00 0.00 C ATOM 0 H ILE A 18 0.779 -2.570 -11.881 1.00 0.00 H new ATOM 0 HA ILE A 18 3.185 -1.309 -10.697 1.00 0.00 H new ATOM 0 HB ILE A 18 0.297 -0.686 -10.076 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.371 1.735 -10.637 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.378 0.751 -11.681 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.303 1.006 -8.499 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.774 -0.654 -8.064 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.924 0.403 -8.918 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.371 1.543 -12.891 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.346 -0.230 -12.739 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.676 0.769 -11.678 1.00 0.00 H new ATOM 288 N THR A 19 3.012 -2.710 -8.632 1.00 0.00 N ATOM 289 CA THR A 19 3.080 -3.649 -7.527 1.00 0.00 C ATOM 290 C THR A 19 3.470 -2.884 -6.266 1.00 0.00 C ATOM 291 O THR A 19 4.082 -1.821 -6.353 1.00 0.00 O ATOM 292 CB THR A 19 4.107 -4.748 -7.836 1.00 0.00 C ATOM 293 OG1 THR A 19 3.835 -5.329 -9.091 1.00 0.00 O ATOM 294 CG2 THR A 19 4.088 -5.856 -6.784 1.00 0.00 C ATOM 0 H THR A 19 3.772 -2.030 -8.630 1.00 0.00 H new ATOM 0 HA THR A 19 2.112 -4.126 -7.377 1.00 0.00 H new ATOM 0 HB THR A 19 5.089 -4.274 -7.835 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.497 -6.027 -9.278 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.829 -6.613 -7.040 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.323 -5.434 -5.807 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.098 -6.312 -6.754 1.00 0.00 H new ATOM 302 N ILE A 20 3.108 -3.428 -5.103 1.00 0.00 N ATOM 303 CA ILE A 20 3.356 -2.816 -3.806 1.00 0.00 C ATOM 304 C ILE A 20 3.915 -3.890 -2.882 1.00 0.00 C ATOM 305 O ILE A 20 3.547 -5.056 -3.009 1.00 0.00 O ATOM 306 CB ILE A 20 2.035 -2.275 -3.241 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.330 -1.297 -4.197 1.00 0.00 C ATOM 308 CG2 ILE A 20 2.264 -1.604 -1.880 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.098 0.009 -4.384 1.00 0.00 C ATOM 0 H ILE A 20 2.625 -4.324 -5.040 1.00 0.00 H new ATOM 0 HA ILE A 20 4.064 -1.992 -3.895 1.00 0.00 H new ATOM 0 HB ILE A 20 1.377 -3.135 -3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.198 -1.777 -5.167 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.334 -1.075 -3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.316 -1.227 -1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.675 -2.332 -1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.964 -0.776 -1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.551 0.658 -5.068 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.208 0.508 -3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.084 -0.205 -4.796 1.00 0.00 H new ATOM 321 N THR A 21 4.794 -3.513 -1.953 1.00 0.00 N ATOM 322 CA THR A 21 5.405 -4.468 -1.040 1.00 0.00 C ATOM 323 C THR A 21 5.584 -3.822 0.326 1.00 0.00 C ATOM 324 O THR A 21 6.263 -2.805 0.460 1.00 0.00 O ATOM 325 CB THR A 21 6.768 -4.902 -1.595 1.00 0.00 C ATOM 326 OG1 THR A 21 6.629 -5.403 -2.904 1.00 0.00 O ATOM 327 CG2 THR A 21 7.400 -5.990 -0.725 1.00 0.00 C ATOM 0 H THR A 21 5.097 -2.549 -1.816 1.00 0.00 H new ATOM 0 HA THR A 21 4.762 -5.343 -0.940 1.00 0.00 H new ATOM 0 HB THR A 21 7.412 -4.022 -1.596 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.151 -6.258 -2.878 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.365 -6.276 -1.144 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.542 -5.610 0.287 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.744 -6.860 -0.697 1.00 0.00 H new ATOM 335 N ILE A 22 4.974 -4.414 1.353 1.00 0.00 N ATOM 336 CA ILE A 22 5.099 -3.939 2.723 1.00 0.00 C ATOM 337 C ILE A 22 6.460 -4.362 3.267 1.00 0.00 C ATOM 338 O ILE A 22 6.628 -5.467 3.780 1.00 0.00 O ATOM 339 CB ILE A 22 3.914 -4.437 3.566 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.101 -4.159 5.059 1.00 0.00 C ATOM 341 CG2 ILE A 22 3.657 -5.934 3.390 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.313 -2.677 5.340 1.00 0.00 C ATOM 0 H ILE A 22 4.380 -5.237 1.254 1.00 0.00 H new ATOM 0 HA ILE A 22 5.057 -2.851 2.766 1.00 0.00 H new ATOM 0 HB ILE A 22 3.055 -3.876 3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.226 -4.510 5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.956 -4.724 5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.810 -6.233 4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.436 -6.145 2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.542 -6.493 3.693 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.441 -2.525 6.412 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.203 -2.331 4.815 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.446 -2.114 4.995 1.00 0.00 H new ATOM 354 N LEU A 23 7.451 -3.473 3.153 1.00 0.00 N ATOM 355 CA LEU A 23 8.811 -3.778 3.565 1.00 0.00 C ATOM 356 C LEU A 23 8.908 -3.945 5.081 1.00 0.00 C ATOM 357 O LEU A 23 9.752 -4.697 5.558 1.00 0.00 O ATOM 358 CB LEU A 23 9.750 -2.663 3.098 1.00 0.00 C ATOM 359 CG LEU A 23 9.600 -2.354 1.605 1.00 0.00 C ATOM 360 CD1 LEU A 23 10.600 -1.275 1.218 1.00 0.00 C ATOM 361 CD2 LEU A 23 9.860 -3.580 0.738 1.00 0.00 C ATOM 0 H LEU A 23 7.329 -2.533 2.776 1.00 0.00 H new ATOM 0 HA LEU A 23 9.106 -4.722 3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.550 -1.760 3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.781 -2.951 3.304 1.00 0.00 H new ATOM 0 HG LEU A 23 8.574 -2.025 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.499 -1.050 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.407 -0.374 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.612 -1.627 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.742 -3.314 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.875 -3.939 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.149 -4.365 0.995 1.00 0.00 H new ATOM 373 N GLY A 24 8.053 -3.250 5.841 1.00 0.00 N ATOM 374 CA GLY A 24 8.013 -3.429 7.283 1.00 0.00 C ATOM 375 C GLY A 24 7.406 -2.233 8.007 1.00 0.00 C ATOM 376 O GLY A 24 6.851 -1.335 7.380 1.00 0.00 O ATOM 0 H GLY A 24 7.388 -2.566 5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.435 -4.323 7.518 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.025 -3.597 7.652 1.00 0.00 H new ATOM 380 N VAL A 25 7.517 -2.228 9.340 1.00 0.00 N ATOM 381 CA VAL A 25 7.039 -1.122 10.168 1.00 0.00 C ATOM 382 C VAL A 25 8.120 -0.714 11.164 1.00 0.00 C ATOM 383 O VAL A 25 9.076 -1.452 11.394 1.00 0.00 O ATOM 384 CB VAL A 25 5.732 -1.489 10.892 1.00 0.00 C ATOM 385 CG1 VAL A 25 4.733 -2.124 9.921 1.00 0.00 C ATOM 386 CG2 VAL A 25 5.984 -2.453 12.051 1.00 0.00 C ATOM 0 H VAL A 25 7.940 -2.989 9.871 1.00 0.00 H new ATOM 0 HA VAL A 25 6.822 -0.274 9.519 1.00 0.00 H new ATOM 0 HB VAL A 25 5.317 -0.563 11.290 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.816 -2.375 10.455 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.505 -1.420 9.121 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.165 -3.030 9.495 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.039 -2.690 12.539 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.436 -3.369 11.671 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.658 -1.988 12.771 1.00 0.00 H new ATOM 396 N SER A 26 7.957 0.468 11.756 1.00 0.00 N ATOM 397 CA SER A 26 8.872 0.999 12.752 1.00 0.00 C ATOM 398 C SER A 26 8.071 1.937 13.641 1.00 0.00 C ATOM 399 O SER A 26 7.869 3.102 13.304 1.00 0.00 O ATOM 400 CB SER A 26 10.026 1.731 12.063 1.00 0.00 C ATOM 401 OG SER A 26 10.914 2.250 13.031 1.00 0.00 O ATOM 0 H SER A 26 7.174 1.088 11.551 1.00 0.00 H new ATOM 0 HA SER A 26 9.311 0.203 13.353 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.557 1.048 11.400 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.637 2.539 11.444 1.00 0.00 H new ATOM 0 HG SER A 26 11.651 2.716 12.583 1.00 0.00 H new ATOM 407 N GLY A 27 7.608 1.429 14.781 1.00 0.00 N ATOM 408 CA GLY A 27 6.664 2.167 15.594 1.00 0.00 C ATOM 409 C GLY A 27 5.360 2.288 14.823 1.00 0.00 C ATOM 410 O GLY A 27 4.714 1.277 14.551 1.00 0.00 O ATOM 0 H GLY A 27 7.872 0.517 15.154 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.498 1.655 16.542 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.058 3.155 15.830 1.00 0.00 H new ATOM 414 N GLN A 28 4.972 3.516 14.473 1.00 0.00 N ATOM 415 CA GLN A 28 3.752 3.772 13.721 1.00 0.00 C ATOM 416 C GLN A 28 4.087 4.087 12.269 1.00 0.00 C ATOM 417 O GLN A 28 3.185 4.347 11.476 1.00 0.00 O ATOM 418 CB GLN A 28 2.958 4.901 14.386 1.00 0.00 C ATOM 419 CG GLN A 28 1.963 4.342 15.408 1.00 0.00 C ATOM 420 CD GLN A 28 2.575 3.225 16.246 1.00 0.00 C ATOM 421 OE1 GLN A 28 3.326 3.481 17.185 1.00 0.00 O ATOM 422 NE2 GLN A 28 2.255 1.978 15.910 1.00 0.00 N ATOM 0 H GLN A 28 5.498 4.358 14.705 1.00 0.00 H new ATOM 0 HA GLN A 28 3.125 2.880 13.724 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.643 5.591 14.879 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.423 5.471 13.626 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.627 5.145 16.064 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.082 3.965 14.888 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.628 1.807 15.124 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.637 1.194 16.439 1.00 0.00 H new ATOM 431 N GLN A 29 5.373 4.063 11.914 1.00 0.00 N ATOM 432 CA GLN A 29 5.781 4.202 10.531 1.00 0.00 C ATOM 433 C GLN A 29 5.584 2.875 9.815 1.00 0.00 C ATOM 434 O GLN A 29 5.491 1.819 10.441 1.00 0.00 O ATOM 435 CB GLN A 29 7.256 4.564 10.424 1.00 0.00 C ATOM 436 CG GLN A 29 7.523 6.015 10.778 1.00 0.00 C ATOM 437 CD GLN A 29 8.932 6.379 10.344 1.00 0.00 C ATOM 438 OE1 GLN A 29 9.118 7.105 9.374 1.00 0.00 O ATOM 439 NE2 GLN A 29 9.937 5.874 11.053 1.00 0.00 N ATOM 0 H GLN A 29 6.144 3.948 12.572 1.00 0.00 H new ATOM 0 HA GLN A 29 5.178 4.992 10.084 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.834 3.919 11.086 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.602 4.371 9.408 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.798 6.662 10.285 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.408 6.168 11.851 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.744 5.273 11.855 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.901 6.087 10.795 1.00 0.00 H new ATOM 448 N VAL A 30 5.523 2.948 8.487 1.00 0.00 N ATOM 449 CA VAL A 30 5.429 1.784 7.635 1.00 0.00 C ATOM 450 C VAL A 30 6.316 2.029 6.424 1.00 0.00 C ATOM 451 O VAL A 30 6.093 2.993 5.692 1.00 0.00 O ATOM 452 CB VAL A 30 3.973 1.583 7.200 1.00 0.00 C ATOM 453 CG1 VAL A 30 3.877 0.313 6.357 1.00 0.00 C ATOM 454 CG2 VAL A 30 3.046 1.432 8.406 1.00 0.00 C ATOM 0 H VAL A 30 5.538 3.830 7.975 1.00 0.00 H new ATOM 0 HA VAL A 30 5.753 0.887 8.162 1.00 0.00 H new ATOM 0 HB VAL A 30 3.665 2.459 6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.844 0.162 6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.513 0.411 5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.205 -0.542 6.948 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.021 1.291 8.062 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.353 0.568 8.995 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.102 2.329 9.022 1.00 0.00 H new ATOM 464 N ARG A 31 7.317 1.169 6.209 1.00 0.00 N ATOM 465 CA ARG A 31 8.100 1.218 4.987 1.00 0.00 C ATOM 466 C ARG A 31 7.302 0.502 3.919 1.00 0.00 C ATOM 467 O ARG A 31 7.013 -0.688 4.055 1.00 0.00 O ATOM 468 CB ARG A 31 9.455 0.521 5.134 1.00 0.00 C ATOM 469 CG ARG A 31 10.512 1.417 5.777 1.00 0.00 C ATOM 470 CD ARG A 31 11.909 0.947 5.352 1.00 0.00 C ATOM 471 NE ARG A 31 12.187 -0.432 5.766 1.00 0.00 N ATOM 472 CZ ARG A 31 13.272 -1.105 5.367 1.00 0.00 C ATOM 473 NH1 ARG A 31 14.163 -0.545 4.557 1.00 0.00 N ATOM 474 NH2 ARG A 31 13.465 -2.353 5.780 1.00 0.00 N ATOM 0 H ARG A 31 7.596 0.439 6.864 1.00 0.00 H new ATOM 0 HA ARG A 31 8.296 2.260 4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.332 -0.379 5.736 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.804 0.202 4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.358 2.453 5.475 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.420 1.384 6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.001 1.023 4.269 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.659 1.611 5.783 1.00 0.00 H new ATOM 0 HE ARG A 31 11.524 -0.898 6.385 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.025 0.411 4.230 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.985 -1.071 4.262 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.787 -2.796 6.400 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.292 -2.868 5.477 1.00 0.00 H new ATOM 488 N ILE A 32 6.954 1.241 2.869 1.00 0.00 N ATOM 489 CA ILE A 32 6.182 0.721 1.759 1.00 0.00 C ATOM 490 C ILE A 32 7.008 0.870 0.491 1.00 0.00 C ATOM 491 O ILE A 32 7.427 1.977 0.149 1.00 0.00 O ATOM 492 CB ILE A 32 4.855 1.477 1.636 1.00 0.00 C ATOM 493 CG1 ILE A 32 4.184 1.614 3.011 1.00 0.00 C ATOM 494 CG2 ILE A 32 3.946 0.736 0.652 1.00 0.00 C ATOM 495 CD1 ILE A 32 2.800 2.256 2.934 1.00 0.00 C ATOM 0 H ILE A 32 7.205 2.225 2.770 1.00 0.00 H new ATOM 0 HA ILE A 32 5.949 -0.331 1.923 1.00 0.00 H new ATOM 0 HB ILE A 32 5.041 2.483 1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.097 0.628 3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.821 2.212 3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.999 1.268 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.430 0.685 -0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.760 -0.274 1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.375 2.326 3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.885 3.254 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.150 1.646 2.307 1.00 0.00 H new ATOM 507 N GLY A 33 7.242 -0.246 -0.194 1.00 0.00 N ATOM 508 CA GLY A 33 7.958 -0.257 -1.453 1.00 0.00 C ATOM 509 C GLY A 33 6.943 -0.255 -2.581 1.00 0.00 C ATOM 510 O GLY A 33 5.841 -0.784 -2.431 1.00 0.00 O ATOM 0 H GLY A 33 6.936 -1.169 0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.609 0.614 -1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.596 -1.138 -1.519 1.00 0.00 H new ATOM 514 N ILE A 34 7.315 0.343 -3.713 1.00 0.00 N ATOM 515 CA ILE A 34 6.449 0.411 -4.875 1.00 0.00 C ATOM 516 C ILE A 34 7.278 0.066 -6.102 1.00 0.00 C ATOM 517 O ILE A 34 8.457 0.406 -6.171 1.00 0.00 O ATOM 518 CB ILE A 34 5.830 1.811 -4.977 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.078 2.130 -3.677 1.00 0.00 C ATOM 520 CG2 ILE A 34 4.891 1.861 -6.195 1.00 0.00 C ATOM 521 CD1 ILE A 34 4.460 3.529 -3.687 1.00 0.00 C ATOM 0 H ILE A 34 8.222 0.790 -3.843 1.00 0.00 H new ATOM 0 HA ILE A 34 5.627 -0.300 -4.794 1.00 0.00 H new ATOM 0 HB ILE A 34 6.608 2.562 -5.113 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.292 1.390 -3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.764 2.045 -2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.448 2.854 -6.272 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.458 1.645 -7.101 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.101 1.120 -6.076 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.940 3.704 -2.745 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.247 4.273 -3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.752 3.608 -4.512 1.00 0.00 H new ATOM 533 N ASN A 35 6.662 -0.608 -7.070 1.00 0.00 N ATOM 534 CA ASN A 35 7.341 -1.033 -8.279 1.00 0.00 C ATOM 535 C ASN A 35 6.448 -0.726 -9.478 1.00 0.00 C ATOM 536 O ASN A 35 5.471 -1.427 -9.735 1.00 0.00 O ATOM 537 CB ASN A 35 7.685 -2.520 -8.170 1.00 0.00 C ATOM 538 CG ASN A 35 8.605 -2.985 -9.291 1.00 0.00 C ATOM 539 OD1 ASN A 35 8.994 -2.208 -10.158 1.00 0.00 O ATOM 540 ND2 ASN A 35 8.962 -4.267 -9.268 1.00 0.00 N ATOM 0 H ASN A 35 5.678 -0.872 -7.033 1.00 0.00 H new ATOM 0 HA ASN A 35 8.278 -0.493 -8.414 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.162 -2.711 -7.209 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.766 -3.106 -8.191 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.581 -4.637 -9.989 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.616 -4.880 -8.529 1.00 0.00 H new ATOM 547 N ALA A 36 6.812 0.331 -10.201 1.00 0.00 N ATOM 548 CA ALA A 36 6.086 0.791 -11.368 1.00 0.00 C ATOM 549 C ALA A 36 7.083 1.354 -12.379 1.00 0.00 C ATOM 550 O ALA A 36 8.160 1.802 -11.989 1.00 0.00 O ATOM 551 CB ALA A 36 5.103 1.876 -10.926 1.00 0.00 C ATOM 0 H ALA A 36 7.633 0.896 -9.984 1.00 0.00 H new ATOM 0 HA ALA A 36 5.536 -0.027 -11.833 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.546 2.236 -11.791 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.409 1.462 -10.194 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.652 2.704 -10.478 1.00 0.00 H new ATOM 557 N PRO A 37 6.745 1.342 -13.675 1.00 0.00 N ATOM 558 CA PRO A 37 7.582 1.917 -14.710 1.00 0.00 C ATOM 559 C PRO A 37 7.593 3.437 -14.596 1.00 0.00 C ATOM 560 O PRO A 37 6.630 4.034 -14.121 1.00 0.00 O ATOM 561 CB PRO A 37 6.943 1.470 -16.028 1.00 0.00 C ATOM 562 CG PRO A 37 5.471 1.261 -15.673 1.00 0.00 C ATOM 563 CD PRO A 37 5.534 0.771 -14.231 1.00 0.00 C ATOM 0 HA PRO A 37 8.620 1.592 -14.634 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.063 2.224 -16.806 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.398 0.552 -16.401 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.899 2.185 -15.761 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.998 0.529 -16.328 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.656 1.092 -13.670 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.559 -0.318 -14.188 1.00 0.00 H new ATOM 571 N LYS A 38 8.684 4.068 -15.033 1.00 0.00 N ATOM 572 CA LYS A 38 8.774 5.525 -15.069 1.00 0.00 C ATOM 573 C LYS A 38 7.770 6.097 -16.066 1.00 0.00 C ATOM 574 O LYS A 38 7.655 7.315 -16.206 1.00 0.00 O ATOM 575 CB LYS A 38 10.207 5.948 -15.406 1.00 0.00 C ATOM 576 CG LYS A 38 11.205 5.547 -14.314 1.00 0.00 C ATOM 577 CD LYS A 38 10.945 6.259 -12.982 1.00 0.00 C ATOM 578 CE LYS A 38 11.047 7.779 -13.099 1.00 0.00 C ATOM 579 NZ LYS A 38 12.386 8.202 -13.560 1.00 0.00 N ATOM 0 H LYS A 38 9.520 3.589 -15.368 1.00 0.00 H new ATOM 0 HA LYS A 38 8.524 5.926 -14.087 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.505 5.494 -16.351 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.241 7.028 -15.547 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.155 4.469 -14.160 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.216 5.774 -14.651 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.952 5.992 -12.619 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.661 5.906 -12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.291 8.142 -13.795 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.835 8.234 -12.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.475 9.234 -13.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.115 7.738 -12.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.511 7.933 -14.557 1.00 0.00 H new ATOM 593 N ASP A 39 7.043 5.218 -16.761 1.00 0.00 N ATOM 594 CA ASP A 39 5.952 5.580 -17.646 1.00 0.00 C ATOM 595 C ASP A 39 4.768 6.140 -16.855 1.00 0.00 C ATOM 596 O ASP A 39 3.844 6.705 -17.440 1.00 0.00 O ATOM 597 CB ASP A 39 5.527 4.327 -18.416 1.00 0.00 C ATOM 598 CG ASP A 39 4.567 4.665 -19.556 1.00 0.00 C ATOM 599 OD1 ASP A 39 4.983 5.444 -20.444 1.00 0.00 O ATOM 600 OD2 ASP A 39 3.433 4.143 -19.530 1.00 0.00 O ATOM 0 H ASP A 39 7.207 4.212 -16.717 1.00 0.00 H new ATOM 0 HA ASP A 39 6.283 6.356 -18.336 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.410 3.830 -18.818 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.049 3.625 -17.733 1.00 0.00 H new ATOM 605 N VAL A 40 4.797 5.987 -15.526 1.00 0.00 N ATOM 606 CA VAL A 40 3.753 6.469 -14.630 1.00 0.00 C ATOM 607 C VAL A 40 4.389 7.078 -13.387 1.00 0.00 C ATOM 608 O VAL A 40 5.552 6.803 -13.080 1.00 0.00 O ATOM 609 CB VAL A 40 2.793 5.332 -14.251 1.00 0.00 C ATOM 610 CG1 VAL A 40 2.199 4.670 -15.495 1.00 0.00 C ATOM 611 CG2 VAL A 40 3.484 4.255 -13.418 1.00 0.00 C ATOM 0 H VAL A 40 5.561 5.517 -15.041 1.00 0.00 H new ATOM 0 HA VAL A 40 3.172 7.236 -15.142 1.00 0.00 H new ATOM 0 HB VAL A 40 2.000 5.790 -13.659 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.524 3.869 -15.194 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.648 5.411 -16.073 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.002 4.257 -16.106 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.769 3.470 -13.172 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.309 3.828 -13.988 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.868 4.697 -12.499 1.00 0.00 H new ATOM 621 N ALA A 41 3.637 7.911 -12.665 1.00 0.00 N ATOM 622 CA ALA A 41 4.164 8.624 -11.518 1.00 0.00 C ATOM 623 C ALA A 41 3.758 7.954 -10.207 1.00 0.00 C ATOM 624 O ALA A 41 2.767 7.229 -10.148 1.00 0.00 O ATOM 625 CB ALA A 41 3.645 10.060 -11.554 1.00 0.00 C ATOM 0 H ALA A 41 2.655 8.104 -12.863 1.00 0.00 H new ATOM 0 HA ALA A 41 5.253 8.613 -11.567 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.034 10.609 -10.696 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.975 10.543 -12.474 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.556 10.054 -11.518 1.00 0.00 H new ATOM 631 N VAL A 42 4.536 8.209 -9.151 1.00 0.00 N ATOM 632 CA VAL A 42 4.220 7.757 -7.798 1.00 0.00 C ATOM 633 C VAL A 42 4.865 8.710 -6.796 1.00 0.00 C ATOM 634 O VAL A 42 6.037 9.046 -6.933 1.00 0.00 O ATOM 635 CB VAL A 42 4.697 6.314 -7.607 1.00 0.00 C ATOM 636 CG1 VAL A 42 6.133 6.099 -8.081 1.00 0.00 C ATOM 637 CG2 VAL A 42 4.634 5.885 -6.146 1.00 0.00 C ATOM 0 H VAL A 42 5.406 8.737 -9.214 1.00 0.00 H new ATOM 0 HA VAL A 42 3.142 7.766 -7.634 1.00 0.00 H new ATOM 0 HB VAL A 42 4.018 5.713 -8.212 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.417 5.059 -7.921 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.205 6.336 -9.142 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.803 6.749 -7.518 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.981 4.856 -6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.270 6.537 -5.548 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.606 5.955 -5.790 1.00 0.00 H new ATOM 647 N HIS A 43 4.106 9.143 -5.784 1.00 0.00 N ATOM 648 CA HIS A 43 4.584 10.100 -4.794 1.00 0.00 C ATOM 649 C HIS A 43 3.786 9.996 -3.501 1.00 0.00 C ATOM 650 O HIS A 43 2.737 9.358 -3.463 1.00 0.00 O ATOM 651 CB HIS A 43 4.388 11.525 -5.320 1.00 0.00 C ATOM 652 CG HIS A 43 4.992 11.786 -6.669 1.00 0.00 C ATOM 653 ND1 HIS A 43 6.322 12.137 -6.902 1.00 0.00 N ATOM 654 CD2 HIS A 43 4.321 11.718 -7.854 1.00 0.00 C ATOM 655 CE1 HIS A 43 6.420 12.272 -8.235 1.00 0.00 C ATOM 656 NE2 HIS A 43 5.238 12.027 -8.832 1.00 0.00 N ATOM 0 H HIS A 43 3.145 8.837 -5.633 1.00 0.00 H new ATOM 0 HA HIS A 43 5.635 9.880 -4.608 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.320 11.736 -5.369 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.818 12.224 -4.603 1.00 0.00 H new ATOM 0 HD1 HIS A 43 7.060 12.264 -6.210 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.279 11.471 -7.996 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.326 12.541 -8.758 1.00 0.00 H new ATOM 664 N ARG A 44 4.283 10.624 -2.432 1.00 0.00 N ATOM 665 CA ARG A 44 3.506 10.782 -1.211 1.00 0.00 C ATOM 666 C ARG A 44 2.373 11.766 -1.488 1.00 0.00 C ATOM 667 O ARG A 44 2.433 12.531 -2.448 1.00 0.00 O ATOM 668 CB ARG A 44 4.416 11.306 -0.102 1.00 0.00 C ATOM 669 CG ARG A 44 5.352 10.191 0.354 1.00 0.00 C ATOM 670 CD ARG A 44 6.440 10.751 1.269 1.00 0.00 C ATOM 671 NE ARG A 44 7.404 11.537 0.493 1.00 0.00 N ATOM 672 CZ ARG A 44 7.891 12.731 0.840 1.00 0.00 C ATOM 673 NH1 ARG A 44 7.484 13.355 1.943 1.00 0.00 N ATOM 674 NH2 ARG A 44 8.803 13.308 0.066 1.00 0.00 N ATOM 0 H ARG A 44 5.218 11.029 -2.392 1.00 0.00 H new ATOM 0 HA ARG A 44 3.086 9.828 -0.892 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.994 12.157 -0.462 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.818 11.660 0.738 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.785 9.423 0.880 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.808 9.712 -0.513 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.990 11.375 2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.952 9.934 1.778 1.00 0.00 H new ATOM 0 HE ARG A 44 7.731 11.138 -0.387 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.784 12.922 2.545 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.872 14.267 2.186 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.123 12.839 -0.782 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.183 14.220 0.319 1.00 0.00 H new ATOM 688 N GLU A 45 1.335 11.753 -0.656 1.00 0.00 N ATOM 689 CA GLU A 45 0.192 12.642 -0.849 1.00 0.00 C ATOM 690 C GLU A 45 0.596 14.101 -0.630 1.00 0.00 C ATOM 691 O GLU A 45 -0.054 15.009 -1.145 1.00 0.00 O ATOM 692 CB GLU A 45 -0.934 12.190 0.085 1.00 0.00 C ATOM 693 CG GLU A 45 -2.248 12.942 -0.148 1.00 0.00 C ATOM 694 CD GLU A 45 -2.371 14.234 0.665 1.00 0.00 C ATOM 695 OE1 GLU A 45 -1.475 14.503 1.499 1.00 0.00 O ATOM 696 OE2 GLU A 45 -3.377 14.944 0.445 1.00 0.00 O ATOM 0 H GLU A 45 1.261 11.139 0.155 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.169 12.584 -1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.105 11.122 -0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.619 12.333 1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.337 13.180 -1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.081 12.285 0.102 1.00 0.00 H new ATOM 703 N GLU A 46 1.670 14.330 0.132 1.00 0.00 N ATOM 704 CA GLU A 46 2.186 15.664 0.408 1.00 0.00 C ATOM 705 C GLU A 46 3.119 16.156 -0.703 1.00 0.00 C ATOM 706 O GLU A 46 3.589 17.292 -0.653 1.00 0.00 O ATOM 707 CB GLU A 46 2.910 15.634 1.758 1.00 0.00 C ATOM 708 CG GLU A 46 4.164 14.758 1.693 1.00 0.00 C ATOM 709 CD GLU A 46 4.701 14.437 3.081 1.00 0.00 C ATOM 710 OE1 GLU A 46 4.919 15.394 3.858 1.00 0.00 O ATOM 711 OE2 GLU A 46 4.894 13.227 3.351 1.00 0.00 O ATOM 0 H GLU A 46 2.207 13.585 0.576 1.00 0.00 H new ATOM 0 HA GLU A 46 1.354 16.367 0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.186 16.648 2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.237 15.254 2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.933 13.831 1.169 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.934 15.268 1.114 1.00 0.00 H new ATOM 718 N ILE A 47 3.386 15.306 -1.703 1.00 0.00 N ATOM 719 CA ILE A 47 4.252 15.631 -2.833 1.00 0.00 C ATOM 720 C ILE A 47 3.460 15.559 -4.134 1.00 0.00 C ATOM 721 O ILE A 47 3.722 16.328 -5.054 1.00 0.00 O ATOM 722 CB ILE A 47 5.440 14.660 -2.856 1.00 0.00 C ATOM 723 CG1 ILE A 47 6.365 14.879 -1.651 1.00 0.00 C ATOM 724 CG2 ILE A 47 6.245 14.807 -4.148 1.00 0.00 C ATOM 725 CD1 ILE A 47 6.897 16.312 -1.538 1.00 0.00 C ATOM 0 H ILE A 47 3.000 14.363 -1.746 1.00 0.00 H new ATOM 0 HA ILE A 47 4.633 16.647 -2.727 1.00 0.00 H new ATOM 0 HB ILE A 47 5.029 13.652 -2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.824 14.628 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.208 14.192 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.081 14.107 -4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.603 14.593 -5.003 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.626 15.825 -4.226 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.543 16.392 -0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.466 16.561 -2.434 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.061 17.004 -1.436 1.00 0.00 H new ATOM 737 N TYR A 48 2.492 14.648 -4.229 1.00 0.00 N ATOM 738 CA TYR A 48 1.686 14.507 -5.430 1.00 0.00 C ATOM 739 C TYR A 48 1.006 15.825 -5.791 1.00 0.00 C ATOM 740 O TYR A 48 0.910 16.171 -6.967 1.00 0.00 O ATOM 741 CB TYR A 48 0.631 13.428 -5.194 1.00 0.00 C ATOM 742 CG TYR A 48 -0.468 13.446 -6.227 1.00 0.00 C ATOM 743 CD1 TYR A 48 -0.153 13.434 -7.593 1.00 0.00 C ATOM 744 CD2 TYR A 48 -1.806 13.490 -5.808 1.00 0.00 C ATOM 745 CE1 TYR A 48 -1.177 13.500 -8.548 1.00 0.00 C ATOM 746 CE2 TYR A 48 -2.832 13.539 -6.758 1.00 0.00 C ATOM 747 CZ TYR A 48 -2.525 13.549 -8.135 1.00 0.00 C ATOM 748 OH TYR A 48 -3.524 13.603 -9.059 1.00 0.00 O ATOM 0 H TYR A 48 2.250 13.996 -3.482 1.00 0.00 H new ATOM 0 HA TYR A 48 2.334 14.224 -6.259 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.112 12.450 -5.199 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.195 13.564 -4.204 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.878 13.374 -7.909 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.044 13.486 -4.754 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.934 13.513 -9.600 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.862 13.569 -6.436 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.391 13.631 -8.602 1.00 0.00 H new ATOM 758 N GLN A 49 0.537 16.567 -4.786 1.00 0.00 N ATOM 759 CA GLN A 49 -0.137 17.835 -5.019 1.00 0.00 C ATOM 760 C GLN A 49 0.813 18.853 -5.653 1.00 0.00 C ATOM 761 O GLN A 49 0.368 19.819 -6.267 1.00 0.00 O ATOM 762 CB GLN A 49 -0.655 18.387 -3.691 1.00 0.00 C ATOM 763 CG GLN A 49 -1.637 17.422 -3.023 1.00 0.00 C ATOM 764 CD GLN A 49 -2.096 17.970 -1.681 1.00 0.00 C ATOM 765 OE1 GLN A 49 -2.786 18.986 -1.620 1.00 0.00 O ATOM 766 NE2 GLN A 49 -1.721 17.309 -0.591 1.00 0.00 N ATOM 0 H GLN A 49 0.614 16.307 -3.803 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.967 17.662 -5.704 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.185 18.573 -3.022 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.145 19.345 -3.861 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.499 17.265 -3.672 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.162 16.451 -2.882 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.148 16.469 -0.676 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.006 17.641 0.330 1.00 0.00 H new ATOM 775 N ARG A 50 2.126 18.639 -5.503 1.00 0.00 N ATOM 776 CA ARG A 50 3.128 19.569 -5.991 1.00 0.00 C ATOM 777 C ARG A 50 3.493 19.290 -7.445 1.00 0.00 C ATOM 778 O ARG A 50 3.733 20.232 -8.195 1.00 0.00 O ATOM 779 CB ARG A 50 4.354 19.483 -5.079 1.00 0.00 C ATOM 780 CG ARG A 50 5.375 20.545 -5.471 1.00 0.00 C ATOM 781 CD ARG A 50 6.539 20.500 -4.483 1.00 0.00 C ATOM 782 NE ARG A 50 6.144 21.008 -3.164 1.00 0.00 N ATOM 783 CZ ARG A 50 6.103 22.303 -2.834 1.00 0.00 C ATOM 784 NH1 ARG A 50 6.431 23.244 -3.715 1.00 0.00 N ATOM 785 NH2 ARG A 50 5.725 22.656 -1.606 1.00 0.00 N ATOM 0 H ARG A 50 2.513 17.817 -5.040 1.00 0.00 H new ATOM 0 HA ARG A 50 2.725 20.581 -5.966 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.054 19.622 -4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.802 18.492 -5.152 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.734 20.367 -6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.913 21.532 -5.465 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.897 19.475 -4.387 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.368 21.093 -4.869 1.00 0.00 H new ATOM 0 HE ARG A 50 5.883 20.327 -2.451 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.719 22.982 -4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.395 24.228 -3.448 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.470 21.940 -0.926 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.691 23.642 -1.346 1.00 0.00 H new ATOM 799 N ILE A 51 3.537 18.020 -7.860 1.00 0.00 N ATOM 800 CA ILE A 51 3.816 17.690 -9.255 1.00 0.00 C ATOM 801 C ILE A 51 2.712 18.262 -10.146 1.00 0.00 C ATOM 802 O ILE A 51 2.892 18.411 -11.353 1.00 0.00 O ATOM 803 CB ILE A 51 3.994 16.172 -9.442 1.00 0.00 C ATOM 804 CG1 ILE A 51 5.345 15.691 -8.898 1.00 0.00 C ATOM 805 CG2 ILE A 51 3.987 15.774 -10.921 1.00 0.00 C ATOM 806 CD1 ILE A 51 5.405 15.679 -7.374 1.00 0.00 C ATOM 0 H ILE A 51 3.384 17.213 -7.255 1.00 0.00 H new ATOM 0 HA ILE A 51 4.760 18.147 -9.553 1.00 0.00 H new ATOM 0 HB ILE A 51 3.160 15.720 -8.905 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.544 14.687 -9.272 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.135 16.336 -9.282 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.115 14.695 -11.008 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.038 16.064 -11.371 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.803 16.279 -11.438 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.386 15.329 -7.051 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.236 16.687 -6.995 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.636 15.012 -6.985 1.00 0.00 H new ATOM 1635 N MET C 1 12.058 0.092 -7.758 1.00 0.00 N ATOM 1636 CA MET C 1 11.596 0.136 -6.359 1.00 0.00 C ATOM 1637 C MET C 1 11.708 1.544 -5.799 1.00 0.00 C ATOM 1638 O MET C 1 12.787 2.125 -5.818 1.00 0.00 O ATOM 1639 CB MET C 1 12.428 -0.801 -5.480 1.00 0.00 C ATOM 1640 CG MET C 1 12.035 -0.657 -4.007 1.00 0.00 C ATOM 1641 SD MET C 1 10.396 -1.291 -3.594 1.00 0.00 S ATOM 1642 CE MET C 1 10.851 -3.035 -3.444 1.00 0.00 C ATOM 0 H1 MET C 1 11.973 -0.879 -8.121 1.00 0.00 H new ATOM 0 H2 MET C 1 11.475 0.730 -8.336 1.00 0.00 H new ATOM 0 H3 MET C 1 13.052 0.393 -7.805 1.00 0.00 H new ATOM 0 HA MET C 1 10.554 -0.183 -6.352 1.00 0.00 H new ATOM 0 HB2 MET C 1 12.282 -1.833 -5.801 1.00 0.00 H new ATOM 0 HB3 MET C 1 13.488 -0.576 -5.602 1.00 0.00 H new ATOM 0 HG2 MET C 1 12.774 -1.176 -3.396 1.00 0.00 H new ATOM 0 HG3 MET C 1 12.080 0.398 -3.735 1.00 0.00 H new ATOM 0 HE1 MET C 1 9.968 -3.621 -3.188 1.00 0.00 H new ATOM 0 HE2 MET C 1 11.258 -3.388 -4.392 1.00 0.00 H new ATOM 0 HE3 MET C 1 11.602 -3.149 -2.662 1.00 0.00 H new ATOM 1654 N LEU C 2 10.603 2.091 -5.297 1.00 0.00 N ATOM 1655 CA LEU C 2 10.583 3.403 -4.671 1.00 0.00 C ATOM 1656 C LEU C 2 9.973 3.226 -3.284 1.00 0.00 C ATOM 1657 O LEU C 2 8.771 2.998 -3.153 1.00 0.00 O ATOM 1658 CB LEU C 2 9.792 4.359 -5.570 1.00 0.00 C ATOM 1659 CG LEU C 2 9.841 5.842 -5.164 1.00 0.00 C ATOM 1660 CD1 LEU C 2 8.550 6.230 -4.460 1.00 0.00 C ATOM 1661 CD2 LEU C 2 10.998 6.212 -4.236 1.00 0.00 C ATOM 0 H LEU C 2 9.693 1.630 -5.315 1.00 0.00 H new ATOM 0 HA LEU C 2 11.576 3.837 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.168 4.267 -6.589 1.00 0.00 H new ATOM 0 HB3 LEU C 2 8.750 4.038 -5.584 1.00 0.00 H new ATOM 0 HG LEU C 2 9.985 6.384 -6.099 1.00 0.00 H new ATOM 0 HD11 LEU C 2 8.592 7.281 -4.176 1.00 0.00 H new ATOM 0 HD12 LEU C 2 7.707 6.070 -5.132 1.00 0.00 H new ATOM 0 HD13 LEU C 2 8.424 5.618 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU C 2 10.952 7.276 -4.003 1.00 0.00 H new ATOM 0 HD22 LEU C 2 10.924 5.635 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU C 2 11.945 5.989 -4.728 1.00 0.00 H new ATOM 1673 N ILE C 3 10.806 3.337 -2.246 1.00 0.00 N ATOM 1674 CA ILE C 3 10.374 3.201 -0.863 1.00 0.00 C ATOM 1675 C ILE C 3 9.885 4.549 -0.353 1.00 0.00 C ATOM 1676 O ILE C 3 10.393 5.596 -0.749 1.00 0.00 O ATOM 1677 CB ILE C 3 11.519 2.716 0.038 1.00 0.00 C ATOM 1678 CG1 ILE C 3 11.962 1.293 -0.307 1.00 0.00 C ATOM 1679 CG2 ILE C 3 11.029 2.691 1.488 1.00 0.00 C ATOM 1680 CD1 ILE C 3 13.063 1.282 -1.361 1.00 0.00 C ATOM 0 H ILE C 3 11.803 3.525 -2.348 1.00 0.00 H new ATOM 0 HA ILE C 3 9.572 2.463 -0.831 1.00 0.00 H new ATOM 0 HB ILE C 3 12.357 3.397 -0.108 1.00 0.00 H new ATOM 0 HG12 ILE C 3 12.317 0.794 0.595 1.00 0.00 H new ATOM 0 HG13 ILE C 3 11.106 0.724 -0.670 1.00 0.00 H new ATOM 0 HG21 ILE C 3 11.834 2.348 2.138 1.00 0.00 H new ATOM 0 HG22 ILE C 3 10.724 3.694 1.786 1.00 0.00 H new ATOM 0 HG23 ILE C 3 10.180 2.013 1.573 1.00 0.00 H new ATOM 0 HD11 ILE C 3 13.349 0.253 -1.578 1.00 0.00 H new ATOM 0 HD12 ILE C 3 12.699 1.757 -2.272 1.00 0.00 H new ATOM 0 HD13 ILE C 3 13.929 1.828 -0.988 1.00 0.00 H new ATOM 1692 N LEU C 4 8.897 4.501 0.537 1.00 0.00 N ATOM 1693 CA LEU C 4 8.383 5.660 1.239 1.00 0.00 C ATOM 1694 C LEU C 4 8.104 5.241 2.677 1.00 0.00 C ATOM 1695 O LEU C 4 7.950 4.050 2.956 1.00 0.00 O ATOM 1696 CB LEU C 4 7.089 6.137 0.562 1.00 0.00 C ATOM 1697 CG LEU C 4 7.301 6.609 -0.881 1.00 0.00 C ATOM 1698 CD1 LEU C 4 5.947 6.895 -1.527 1.00 0.00 C ATOM 1699 CD2 LEU C 4 8.151 7.875 -0.920 1.00 0.00 C ATOM 0 H LEU C 4 8.425 3.633 0.791 1.00 0.00 H new ATOM 0 HA LEU C 4 9.102 6.479 1.219 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.362 5.325 0.569 1.00 0.00 H new ATOM 0 HB3 LEU C 4 6.661 6.952 1.145 1.00 0.00 H new ATOM 0 HG LEU C 4 7.820 5.822 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU C 4 6.097 7.231 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU C 4 5.345 5.987 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU C 4 5.432 7.672 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU C 4 8.287 8.190 -1.955 1.00 0.00 H new ATOM 0 HD22 LEU C 4 7.650 8.667 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU C 4 9.124 7.674 -0.471 1.00 0.00 H new ATOM 1711 N THR C 5 8.037 6.209 3.591 1.00 0.00 N ATOM 1712 CA THR C 5 7.647 5.941 4.968 1.00 0.00 C ATOM 1713 C THR C 5 6.372 6.716 5.249 1.00 0.00 C ATOM 1714 O THR C 5 6.208 7.844 4.780 1.00 0.00 O ATOM 1715 CB THR C 5 8.742 6.333 5.962 1.00 0.00 C ATOM 1716 OG1 THR C 5 9.108 7.683 5.789 1.00 0.00 O ATOM 1717 CG2 THR C 5 9.974 5.457 5.792 1.00 0.00 C ATOM 0 H THR C 5 8.249 7.188 3.398 1.00 0.00 H new ATOM 0 HA THR C 5 7.485 4.870 5.093 1.00 0.00 H new ATOM 0 HB THR C 5 8.341 6.190 6.965 1.00 0.00 H new ATOM 0 HG1 THR C 5 9.808 7.917 6.434 1.00 0.00 H new ATOM 0 HG21 THR C 5 10.736 5.758 6.511 1.00 0.00 H new ATOM 0 HG22 THR C 5 9.705 4.414 5.962 1.00 0.00 H new ATOM 0 HG23 THR C 5 10.364 5.570 4.781 1.00 0.00 H new ATOM 1725 N ARG C 6 5.464 6.112 6.016 1.00 0.00 N ATOM 1726 CA ARG C 6 4.174 6.724 6.285 1.00 0.00 C ATOM 1727 C ARG C 6 3.696 6.360 7.688 1.00 0.00 C ATOM 1728 O ARG C 6 3.674 5.184 8.044 1.00 0.00 O ATOM 1729 CB ARG C 6 3.204 6.204 5.220 1.00 0.00 C ATOM 1730 CG ARG C 6 1.962 7.071 5.021 1.00 0.00 C ATOM 1731 CD ARG C 6 2.261 8.386 4.294 1.00 0.00 C ATOM 1732 NE ARG C 6 2.850 9.397 5.182 1.00 0.00 N ATOM 1733 CZ ARG C 6 3.453 10.510 4.761 1.00 0.00 C ATOM 1734 NH1 ARG C 6 3.561 10.788 3.464 1.00 0.00 N ATOM 1735 NH2 ARG C 6 3.957 11.362 5.643 1.00 0.00 N ATOM 0 H ARG C 6 5.602 5.203 6.458 1.00 0.00 H new ATOM 0 HA ARG C 6 4.238 7.811 6.243 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.734 6.126 4.271 1.00 0.00 H new ATOM 0 HB3 ARG C 6 2.889 5.197 5.493 1.00 0.00 H new ATOM 0 HG2 ARG C 6 1.220 6.509 4.454 1.00 0.00 H new ATOM 0 HG3 ARG C 6 1.520 7.292 5.993 1.00 0.00 H new ATOM 0 HD2 ARG C 6 2.943 8.193 3.466 1.00 0.00 H new ATOM 0 HD3 ARG C 6 1.339 8.777 3.864 1.00 0.00 H new ATOM 0 HE ARG C 6 2.794 9.237 6.188 1.00 0.00 H new ATOM 0 HH11 ARG C 6 3.179 10.145 2.771 1.00 0.00 H new ATOM 0 HH12 ARG C 6 4.026 11.645 3.163 1.00 0.00 H new ATOM 0 HH21 ARG C 6 3.883 11.166 6.641 1.00 0.00 H new ATOM 0 HH22 ARG C 6 4.418 12.214 5.323 1.00 0.00 H new ATOM 1749 N LYS C 7 3.315 7.363 8.486 1.00 0.00 N ATOM 1750 CA LYS C 7 2.750 7.118 9.807 1.00 0.00 C ATOM 1751 C LYS C 7 1.283 6.729 9.620 1.00 0.00 C ATOM 1752 O LYS C 7 0.643 7.187 8.672 1.00 0.00 O ATOM 1753 CB LYS C 7 2.870 8.389 10.659 1.00 0.00 C ATOM 1754 CG LYS C 7 3.419 8.142 12.068 1.00 0.00 C ATOM 1755 CD LYS C 7 4.880 7.683 12.041 1.00 0.00 C ATOM 1756 CE LYS C 7 5.480 7.616 13.447 1.00 0.00 C ATOM 1757 NZ LYS C 7 5.557 8.950 14.073 1.00 0.00 N ATOM 0 H LYS C 7 3.390 8.349 8.236 1.00 0.00 H new ATOM 0 HA LYS C 7 3.283 6.317 10.319 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.519 9.099 10.146 1.00 0.00 H new ATOM 0 HB3 LYS C 7 1.888 8.855 10.739 1.00 0.00 H new ATOM 0 HG2 LYS C 7 3.337 9.057 12.655 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.811 7.388 12.567 1.00 0.00 H new ATOM 0 HD2 LYS C 7 4.944 6.702 11.571 1.00 0.00 H new ATOM 0 HD3 LYS C 7 5.465 8.369 11.428 1.00 0.00 H new ATOM 0 HE2 LYS C 7 4.875 6.957 14.069 1.00 0.00 H new ATOM 0 HE3 LYS C 7 6.478 7.180 13.396 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 6.201 8.914 14.889 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.915 9.638 13.380 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 4.610 9.239 14.391 1.00 0.00 H new ATOM 1771 N VAL C 8 0.731 5.894 10.502 1.00 0.00 N ATOM 1772 CA VAL C 8 -0.664 5.493 10.364 1.00 0.00 C ATOM 1773 C VAL C 8 -1.556 6.733 10.364 1.00 0.00 C ATOM 1774 O VAL C 8 -1.413 7.611 11.215 1.00 0.00 O ATOM 1775 CB VAL C 8 -1.069 4.483 11.447 1.00 0.00 C ATOM 1776 CG1 VAL C 8 -0.180 3.243 11.363 1.00 0.00 C ATOM 1777 CG2 VAL C 8 -0.977 5.048 12.865 1.00 0.00 C ATOM 0 H VAL C 8 1.219 5.491 11.302 1.00 0.00 H new ATOM 0 HA VAL C 8 -0.794 4.982 9.410 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.113 4.234 11.255 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -0.474 2.532 12.135 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -0.292 2.781 10.382 1.00 0.00 H new ATOM 0 HG13 VAL C 8 0.861 3.531 11.512 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -1.277 4.283 13.582 1.00 0.00 H new ATOM 0 HG22 VAL C 8 0.049 5.354 13.069 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.638 5.910 12.957 1.00 0.00 H new ATOM 1787 N GLY C 9 -2.484 6.806 9.404 1.00 0.00 N ATOM 1788 CA GLY C 9 -3.408 7.925 9.284 1.00 0.00 C ATOM 1789 C GLY C 9 -3.036 8.886 8.152 1.00 0.00 C ATOM 1790 O GLY C 9 -3.747 9.869 7.947 1.00 0.00 O ATOM 0 H GLY C 9 -2.611 6.088 8.691 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -4.414 7.542 9.113 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -3.431 8.473 10.226 1.00 0.00 H new ATOM 1794 N GLU C 10 -1.946 8.619 7.426 1.00 0.00 N ATOM 1795 CA GLU C 10 -1.511 9.469 6.319 1.00 0.00 C ATOM 1796 C GLU C 10 -1.742 8.767 4.974 1.00 0.00 C ATOM 1797 O GLU C 10 -2.292 7.665 4.939 1.00 0.00 O ATOM 1798 CB GLU C 10 -0.043 9.851 6.519 1.00 0.00 C ATOM 1799 CG GLU C 10 0.181 10.588 7.841 1.00 0.00 C ATOM 1800 CD GLU C 10 1.648 10.981 8.007 1.00 0.00 C ATOM 1801 OE1 GLU C 10 2.516 10.097 7.819 1.00 0.00 O ATOM 1802 OE2 GLU C 10 1.894 12.167 8.326 1.00 0.00 O ATOM 0 H GLU C 10 -1.345 7.811 7.590 1.00 0.00 H new ATOM 0 HA GLU C 10 -2.104 10.384 6.306 1.00 0.00 H new ATOM 0 HB2 GLU C 10 0.572 8.952 6.496 1.00 0.00 H new ATOM 0 HB3 GLU C 10 0.284 10.482 5.692 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -0.444 11.480 7.875 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -0.125 9.953 8.672 1.00 0.00 H new ATOM 1809 N SER C 11 -1.328 9.390 3.861 1.00 0.00 N ATOM 1810 CA SER C 11 -1.654 8.889 2.533 1.00 0.00 C ATOM 1811 C SER C 11 -0.498 8.992 1.538 1.00 0.00 C ATOM 1812 O SER C 11 0.508 9.658 1.787 1.00 0.00 O ATOM 1813 CB SER C 11 -2.861 9.657 1.991 1.00 0.00 C ATOM 1814 OG SER C 11 -3.987 9.483 2.827 1.00 0.00 O ATOM 0 H SER C 11 -0.767 10.242 3.862 1.00 0.00 H new ATOM 0 HA SER C 11 -1.876 7.827 2.641 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.619 10.717 1.917 1.00 0.00 H new ATOM 0 HB3 SER C 11 -3.094 9.312 0.984 1.00 0.00 H new ATOM 0 HG SER C 11 -4.746 9.984 2.462 1.00 0.00 H new ATOM 1820 N ILE C 12 -0.659 8.315 0.394 1.00 0.00 N ATOM 1821 CA ILE C 12 0.305 8.226 -0.702 1.00 0.00 C ATOM 1822 C ILE C 12 -0.494 8.215 -2.011 1.00 0.00 C ATOM 1823 O ILE C 12 -1.708 8.008 -1.984 1.00 0.00 O ATOM 1824 CB ILE C 12 1.167 6.960 -0.523 1.00 0.00 C ATOM 1825 CG1 ILE C 12 1.927 7.046 0.811 1.00 0.00 C ATOM 1826 CG2 ILE C 12 2.162 6.764 -1.671 1.00 0.00 C ATOM 1827 CD1 ILE C 12 2.831 5.838 1.044 1.00 0.00 C ATOM 0 H ILE C 12 -1.511 7.788 0.201 1.00 0.00 H new ATOM 0 HA ILE C 12 0.991 9.073 -0.715 1.00 0.00 H new ATOM 0 HB ILE C 12 0.496 6.101 -0.525 1.00 0.00 H new ATOM 0 HG12 ILE C 12 2.529 7.955 0.826 1.00 0.00 H new ATOM 0 HG13 ILE C 12 1.211 7.124 1.629 1.00 0.00 H new ATOM 0 HG21 ILE C 12 2.744 5.859 -1.497 1.00 0.00 H new ATOM 0 HG22 ILE C 12 1.619 6.671 -2.611 1.00 0.00 H new ATOM 0 HG23 ILE C 12 2.832 7.622 -1.722 1.00 0.00 H new ATOM 0 HD11 ILE C 12 3.345 5.947 1.999 1.00 0.00 H new ATOM 0 HD12 ILE C 12 2.228 4.930 1.058 1.00 0.00 H new ATOM 0 HD13 ILE C 12 3.566 5.773 0.242 1.00 0.00 H new ATOM 1839 N ASN C 13 0.154 8.429 -3.155 1.00 0.00 N ATOM 1840 CA ASN C 13 -0.522 8.530 -4.447 1.00 0.00 C ATOM 1841 C ASN C 13 0.245 7.819 -5.556 1.00 0.00 C ATOM 1842 O ASN C 13 1.462 7.660 -5.489 1.00 0.00 O ATOM 1843 CB ASN C 13 -0.689 10.007 -4.808 1.00 0.00 C ATOM 1844 CG ASN C 13 -1.920 10.596 -4.139 1.00 0.00 C ATOM 1845 OD1 ASN C 13 -1.818 11.322 -3.153 1.00 0.00 O ATOM 1846 ND2 ASN C 13 -3.098 10.284 -4.677 1.00 0.00 N ATOM 0 H ASN C 13 1.167 8.538 -3.212 1.00 0.00 H new ATOM 0 HA ASN C 13 -1.493 8.043 -4.357 1.00 0.00 H new ATOM 0 HB2 ASN C 13 0.197 10.562 -4.501 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -0.773 10.113 -5.890 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -3.958 10.651 -4.270 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -3.140 9.678 -5.496 1.00 0.00 H new ATOM 1853 N ILE C 14 -0.494 7.388 -6.585 1.00 0.00 N ATOM 1854 CA ILE C 14 0.045 6.692 -7.743 1.00 0.00 C ATOM 1855 C ILE C 14 -0.714 7.172 -8.981 1.00 0.00 C ATOM 1856 O ILE C 14 -1.924 7.412 -8.921 1.00 0.00 O ATOM 1857 CB ILE C 14 -0.104 5.176 -7.561 1.00 0.00 C ATOM 1858 CG1 ILE C 14 0.628 4.716 -6.290 1.00 0.00 C ATOM 1859 CG2 ILE C 14 0.448 4.443 -8.784 1.00 0.00 C ATOM 1860 CD1 ILE C 14 0.481 3.214 -6.043 1.00 0.00 C ATOM 0 H ILE C 14 -1.504 7.520 -6.630 1.00 0.00 H new ATOM 0 HA ILE C 14 1.107 6.908 -7.859 1.00 0.00 H new ATOM 0 HB ILE C 14 -1.163 4.939 -7.457 1.00 0.00 H new ATOM 0 HG12 ILE C 14 1.686 4.966 -6.373 1.00 0.00 H new ATOM 0 HG13 ILE C 14 0.238 5.262 -5.431 1.00 0.00 H new ATOM 0 HG21 ILE C 14 0.337 3.368 -8.644 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -0.102 4.752 -9.673 1.00 0.00 H new ATOM 0 HG23 ILE C 14 1.503 4.686 -8.908 1.00 0.00 H new ATOM 0 HD11 ILE C 14 1.016 2.941 -5.134 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.574 2.965 -5.932 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.896 2.664 -6.888 1.00 0.00 H new ATOM 1872 N GLY C 15 -0.006 7.310 -10.104 1.00 0.00 N ATOM 1873 CA GLY C 15 -0.602 7.809 -11.331 1.00 0.00 C ATOM 1874 C GLY C 15 -1.269 9.158 -11.082 1.00 0.00 C ATOM 1875 O GLY C 15 -0.742 9.989 -10.345 1.00 0.00 O ATOM 0 H GLY C 15 0.985 7.080 -10.182 1.00 0.00 H new ATOM 0 HA2 GLY C 15 0.163 7.910 -12.101 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -1.337 7.095 -11.704 1.00 0.00 H new ATOM 1879 N ASP C 16 -2.429 9.361 -11.703 1.00 0.00 N ATOM 1880 CA ASP C 16 -3.239 10.555 -11.525 1.00 0.00 C ATOM 1881 C ASP C 16 -4.692 10.165 -11.229 1.00 0.00 C ATOM 1882 O ASP C 16 -5.588 11.007 -11.276 1.00 0.00 O ATOM 1883 CB ASP C 16 -3.106 11.482 -12.741 1.00 0.00 C ATOM 1884 CG ASP C 16 -3.679 10.869 -14.018 1.00 0.00 C ATOM 1885 OD1 ASP C 16 -3.115 9.851 -14.480 1.00 0.00 O ATOM 1886 OD2 ASP C 16 -4.680 11.423 -14.525 1.00 0.00 O ATOM 0 H ASP C 16 -2.835 8.688 -12.353 1.00 0.00 H new ATOM 0 HA ASP C 16 -2.877 11.117 -10.664 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -3.617 12.422 -12.533 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -2.054 11.720 -12.898 1.00 0.00 H new ATOM 1891 N ASP C 17 -4.920 8.883 -10.930 1.00 0.00 N ATOM 1892 CA ASP C 17 -6.245 8.342 -10.646 1.00 0.00 C ATOM 1893 C ASP C 17 -6.224 7.371 -9.462 1.00 0.00 C ATOM 1894 O ASP C 17 -7.239 6.728 -9.203 1.00 0.00 O ATOM 1895 CB ASP C 17 -6.795 7.630 -11.888 1.00 0.00 C ATOM 1896 CG ASP C 17 -7.025 8.581 -13.057 1.00 0.00 C ATOM 1897 OD1 ASP C 17 -7.953 9.416 -12.952 1.00 0.00 O ATOM 1898 OD2 ASP C 17 -6.269 8.473 -14.051 1.00 0.00 O ATOM 0 H ASP C 17 -4.177 8.186 -10.879 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.892 9.178 -10.380 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -6.099 6.849 -12.192 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -7.734 7.139 -11.634 1.00 0.00 H new ATOM 1903 N ILE C 18 -5.103 7.245 -8.737 1.00 0.00 N ATOM 1904 CA ILE C 18 -5.032 6.315 -7.616 1.00 0.00 C ATOM 1905 C ILE C 18 -4.478 7.007 -6.371 1.00 0.00 C ATOM 1906 O ILE C 18 -3.635 7.899 -6.455 1.00 0.00 O ATOM 1907 CB ILE C 18 -4.184 5.089 -7.982 1.00 0.00 C ATOM 1908 CG1 ILE C 18 -4.731 4.342 -9.207 1.00 0.00 C ATOM 1909 CG2 ILE C 18 -4.161 4.106 -6.810 1.00 0.00 C ATOM 1910 CD1 ILE C 18 -4.130 4.858 -10.513 1.00 0.00 C ATOM 0 H ILE C 18 -4.246 7.771 -8.909 1.00 0.00 H new ATOM 0 HA ILE C 18 -6.043 5.975 -7.391 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.185 5.458 -8.213 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -4.518 3.278 -9.106 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -5.815 4.448 -9.241 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -3.558 3.238 -7.075 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.731 4.593 -5.935 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -5.178 3.786 -6.584 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -4.547 4.300 -11.351 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.365 5.916 -10.629 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -3.048 4.727 -10.492 1.00 0.00 H new ATOM 1922 N THR C 19 -4.974 6.580 -5.207 1.00 0.00 N ATOM 1923 CA THR C 19 -4.554 7.078 -3.905 1.00 0.00 C ATOM 1924 C THR C 19 -4.471 5.894 -2.944 1.00 0.00 C ATOM 1925 O THR C 19 -5.120 4.871 -3.159 1.00 0.00 O ATOM 1926 CB THR C 19 -5.562 8.117 -3.398 1.00 0.00 C ATOM 1927 OG1 THR C 19 -5.761 9.117 -4.374 1.00 0.00 O ATOM 1928 CG2 THR C 19 -5.095 8.794 -2.113 1.00 0.00 C ATOM 0 H THR C 19 -5.695 5.861 -5.148 1.00 0.00 H new ATOM 0 HA THR C 19 -3.579 7.559 -3.977 1.00 0.00 H new ATOM 0 HB THR C 19 -6.489 7.581 -3.195 1.00 0.00 H new ATOM 0 HG1 THR C 19 -6.407 9.775 -4.042 1.00 0.00 H new ATOM 0 HG21 THR C 19 -5.841 9.521 -1.793 1.00 0.00 H new ATOM 0 HG22 THR C 19 -4.962 8.043 -1.334 1.00 0.00 H new ATOM 0 HG23 THR C 19 -4.147 9.302 -2.293 1.00 0.00 H new ATOM 1936 N ILE C 20 -3.671 6.046 -1.889 1.00 0.00 N ATOM 1937 CA ILE C 20 -3.416 5.002 -0.908 1.00 0.00 C ATOM 1938 C ILE C 20 -3.484 5.630 0.478 1.00 0.00 C ATOM 1939 O ILE C 20 -3.121 6.792 0.645 1.00 0.00 O ATOM 1940 CB ILE C 20 -2.014 4.411 -1.147 1.00 0.00 C ATOM 1941 CG1 ILE C 20 -1.802 3.909 -2.583 1.00 0.00 C ATOM 1942 CG2 ILE C 20 -1.726 3.287 -0.150 1.00 0.00 C ATOM 1943 CD1 ILE C 20 -2.653 2.685 -2.912 1.00 0.00 C ATOM 0 H ILE C 20 -3.175 6.915 -1.692 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.154 4.205 -0.994 1.00 0.00 H new ATOM 0 HB ILE C 20 -1.310 5.228 -0.993 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -2.040 4.710 -3.282 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -0.750 3.664 -2.726 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -0.731 2.882 -0.335 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.775 3.680 0.865 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.467 2.496 -0.269 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -2.462 2.374 -3.939 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -2.397 1.871 -2.233 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.708 2.934 -2.799 1.00 0.00 H new ATOM 1955 N THR C 21 -3.944 4.870 1.477 1.00 0.00 N ATOM 1956 CA THR C 21 -4.037 5.363 2.848 1.00 0.00 C ATOM 1957 C THR C 21 -3.684 4.250 3.824 1.00 0.00 C ATOM 1958 O THR C 21 -4.299 3.187 3.813 1.00 0.00 O ATOM 1959 CB THR C 21 -5.456 5.873 3.121 1.00 0.00 C ATOM 1960 OG1 THR C 21 -5.810 6.851 2.167 1.00 0.00 O ATOM 1961 CG2 THR C 21 -5.546 6.508 4.509 1.00 0.00 C ATOM 0 H THR C 21 -4.258 3.907 1.357 1.00 0.00 H new ATOM 0 HA THR C 21 -3.333 6.185 2.982 1.00 0.00 H new ATOM 0 HB THR C 21 -6.133 5.021 3.062 1.00 0.00 H new ATOM 0 HG1 THR C 21 -5.288 7.665 2.324 1.00 0.00 H new ATOM 0 HG21 THR C 21 -6.562 6.863 4.681 1.00 0.00 H new ATOM 0 HG22 THR C 21 -5.287 5.767 5.266 1.00 0.00 H new ATOM 0 HG23 THR C 21 -4.853 7.347 4.571 1.00 0.00 H new ATOM 1969 N ILE C 22 -2.684 4.500 4.676 1.00 0.00 N ATOM 1970 CA ILE C 22 -2.267 3.559 5.701 1.00 0.00 C ATOM 1971 C ILE C 22 -3.245 3.642 6.871 1.00 0.00 C ATOM 1972 O ILE C 22 -3.099 4.468 7.769 1.00 0.00 O ATOM 1973 CB ILE C 22 -0.803 3.821 6.093 1.00 0.00 C ATOM 1974 CG1 ILE C 22 -0.367 2.998 7.311 1.00 0.00 C ATOM 1975 CG2 ILE C 22 -0.520 5.295 6.392 1.00 0.00 C ATOM 1976 CD1 ILE C 22 -0.588 1.505 7.095 1.00 0.00 C ATOM 0 H ILE C 22 -2.144 5.366 4.668 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.296 2.534 5.331 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.229 3.516 5.218 1.00 0.00 H new ATOM 0 HG12 ILE C 22 0.687 3.183 7.516 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -0.925 3.325 8.189 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.529 5.417 6.662 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -0.739 5.894 5.508 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -1.149 5.626 7.219 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -0.266 0.958 7.981 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -1.646 1.316 6.916 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -0.009 1.172 6.233 1.00 0.00 H new ATOM 1988 N LEU C 23 -4.261 2.771 6.856 1.00 0.00 N ATOM 1989 CA LEU C 23 -5.318 2.798 7.858 1.00 0.00 C ATOM 1990 C LEU C 23 -4.782 2.411 9.233 1.00 0.00 C ATOM 1991 O LEU C 23 -5.299 2.887 10.243 1.00 0.00 O ATOM 1992 CB LEU C 23 -6.439 1.846 7.433 1.00 0.00 C ATOM 1993 CG LEU C 23 -6.943 2.138 6.017 1.00 0.00 C ATOM 1994 CD1 LEU C 23 -8.106 1.208 5.697 1.00 0.00 C ATOM 1995 CD2 LEU C 23 -7.443 3.573 5.864 1.00 0.00 C ATOM 0 H LEU C 23 -4.368 2.038 6.155 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.709 3.813 7.931 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.079 0.818 7.483 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.268 1.928 8.136 1.00 0.00 H new ATOM 0 HG LEU C 23 -6.103 1.986 5.339 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -8.468 1.412 4.690 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.772 0.172 5.760 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -8.911 1.373 6.413 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.790 3.731 4.843 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.266 3.748 6.557 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -6.631 4.266 6.083 1.00 0.00 H new ATOM 2007 N GLY C 24 -3.754 1.556 9.285 1.00 0.00 N ATOM 2008 CA GLY C 24 -3.095 1.252 10.551 1.00 0.00 C ATOM 2009 C GLY C 24 -2.359 -0.081 10.517 1.00 0.00 C ATOM 2010 O GLY C 24 -2.206 -0.687 9.461 1.00 0.00 O ATOM 0 H GLY C 24 -3.368 1.071 8.475 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -2.389 2.048 10.790 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -3.837 1.234 11.349 1.00 0.00 H new ATOM 2014 N VAL C 25 -1.902 -0.535 11.690 1.00 0.00 N ATOM 2015 CA VAL C 25 -1.201 -1.808 11.820 1.00 0.00 C ATOM 2016 C VAL C 25 -1.766 -2.607 12.998 1.00 0.00 C ATOM 2017 O VAL C 25 -2.435 -2.052 13.867 1.00 0.00 O ATOM 2018 CB VAL C 25 0.316 -1.600 11.984 1.00 0.00 C ATOM 2019 CG1 VAL C 25 0.858 -0.631 10.931 1.00 0.00 C ATOM 2020 CG2 VAL C 25 0.661 -1.064 13.373 1.00 0.00 C ATOM 0 H VAL C 25 -2.009 -0.029 12.569 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.359 -2.375 10.902 1.00 0.00 H new ATOM 0 HB VAL C 25 0.782 -2.577 11.853 1.00 0.00 H new ATOM 0 HG11 VAL C 25 1.931 -0.504 11.072 1.00 0.00 H new ATOM 0 HG12 VAL C 25 0.668 -1.032 9.935 1.00 0.00 H new ATOM 0 HG13 VAL C 25 0.362 0.334 11.035 1.00 0.00 H new ATOM 0 HG21 VAL C 25 1.740 -0.929 13.453 1.00 0.00 H new ATOM 0 HG22 VAL C 25 0.163 -0.107 13.528 1.00 0.00 H new ATOM 0 HG23 VAL C 25 0.327 -1.773 14.130 1.00 0.00 H new ATOM 2030 N SER C 26 -1.482 -3.910 13.007 1.00 0.00 N ATOM 2031 CA SER C 26 -1.912 -4.830 14.051 1.00 0.00 C ATOM 2032 C SER C 26 -0.820 -5.879 14.206 1.00 0.00 C ATOM 2033 O SER C 26 -0.913 -6.968 13.642 1.00 0.00 O ATOM 2034 CB SER C 26 -3.247 -5.483 13.684 1.00 0.00 C ATOM 2035 OG SER C 26 -4.249 -4.501 13.521 1.00 0.00 O ATOM 0 H SER C 26 -0.936 -4.360 12.273 1.00 0.00 H new ATOM 0 HA SER C 26 -2.066 -4.298 14.990 1.00 0.00 H new ATOM 0 HB2 SER C 26 -3.138 -6.056 12.763 1.00 0.00 H new ATOM 0 HB3 SER C 26 -3.541 -6.186 14.463 1.00 0.00 H new ATOM 0 HG SER C 26 -5.096 -4.934 13.285 1.00 0.00 H new ATOM 2041 N GLY C 27 0.219 -5.543 14.972 1.00 0.00 N ATOM 2042 CA GLY C 27 1.408 -6.369 15.064 1.00 0.00 C ATOM 2043 C GLY C 27 2.212 -6.171 13.792 1.00 0.00 C ATOM 2044 O GLY C 27 2.749 -5.090 13.566 1.00 0.00 O ATOM 0 H GLY C 27 0.254 -4.696 15.539 1.00 0.00 H new ATOM 0 HA2 GLY C 27 1.999 -6.091 15.936 1.00 0.00 H new ATOM 0 HA3 GLY C 27 1.136 -7.418 15.184 1.00 0.00 H new ATOM 2048 N GLN C 28 2.294 -7.211 12.961 1.00 0.00 N ATOM 2049 CA GLN C 28 2.987 -7.134 11.684 1.00 0.00 C ATOM 2050 C GLN C 28 1.986 -7.044 10.541 1.00 0.00 C ATOM 2051 O GLN C 28 2.385 -6.931 9.384 1.00 0.00 O ATOM 2052 CB GLN C 28 3.920 -8.338 11.527 1.00 0.00 C ATOM 2053 CG GLN C 28 5.332 -7.981 11.990 1.00 0.00 C ATOM 2054 CD GLN C 28 5.318 -7.277 13.342 1.00 0.00 C ATOM 2055 OE1 GLN C 28 5.109 -7.899 14.381 1.00 0.00 O ATOM 2056 NE2 GLN C 28 5.543 -5.965 13.335 1.00 0.00 N ATOM 0 H GLN C 28 1.883 -8.124 13.157 1.00 0.00 H new ATOM 0 HA GLN C 28 3.595 -6.230 11.656 1.00 0.00 H new ATOM 0 HB2 GLN C 28 3.541 -9.178 12.109 1.00 0.00 H new ATOM 0 HB3 GLN C 28 3.942 -8.656 10.485 1.00 0.00 H new ATOM 0 HG2 GLN C 28 5.934 -8.888 12.057 1.00 0.00 H new ATOM 0 HG3 GLN C 28 5.807 -7.338 11.249 1.00 0.00 H new ATOM 0 HE21 GLN C 28 5.713 -5.481 12.453 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.546 -5.443 14.211 1.00 0.00 H new ATOM 2065 N GLN C 29 0.691 -7.088 10.854 1.00 0.00 N ATOM 2066 CA GLN C 29 -0.349 -6.863 9.863 1.00 0.00 C ATOM 2067 C GLN C 29 -0.473 -5.367 9.622 1.00 0.00 C ATOM 2068 O GLN C 29 -0.124 -4.568 10.490 1.00 0.00 O ATOM 2069 CB GLN C 29 -1.681 -7.408 10.373 1.00 0.00 C ATOM 2070 CG GLN C 29 -1.626 -8.935 10.399 1.00 0.00 C ATOM 2071 CD GLN C 29 -2.782 -9.543 11.164 1.00 0.00 C ATOM 2072 OE1 GLN C 29 -3.916 -8.851 11.211 1.00 0.00 O flip ATOM 2073 NE2 GLN C 29 -2.653 -10.631 11.710 1.00 0.00 N flip ATOM 0 H GLN C 29 0.341 -7.279 11.793 1.00 0.00 H new ATOM 0 HA GLN C 29 -0.091 -7.374 8.936 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -1.886 -7.023 11.372 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -2.494 -7.073 9.729 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -1.632 -9.313 9.377 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -0.687 -9.254 10.851 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -1.765 -11.130 11.650 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -3.433 -11.039 12.225 1.00 0.00 H new ATOM 2082 N VAL C 30 -0.973 -4.990 8.447 1.00 0.00 N ATOM 2083 CA VAL C 30 -1.139 -3.602 8.076 1.00 0.00 C ATOM 2084 C VAL C 30 -2.425 -3.466 7.279 1.00 0.00 C ATOM 2085 O VAL C 30 -2.551 -4.075 6.218 1.00 0.00 O ATOM 2086 CB VAL C 30 0.059 -3.164 7.223 1.00 0.00 C ATOM 2087 CG1 VAL C 30 -0.055 -1.679 6.905 1.00 0.00 C ATOM 2088 CG2 VAL C 30 1.389 -3.395 7.944 1.00 0.00 C ATOM 0 H VAL C 30 -1.273 -5.648 7.728 1.00 0.00 H new ATOM 0 HA VAL C 30 -1.192 -2.972 8.964 1.00 0.00 H new ATOM 0 HB VAL C 30 0.044 -3.763 6.313 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.797 -1.370 6.299 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.978 -1.495 6.355 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.066 -1.108 7.833 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.210 -3.071 7.305 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.404 -2.823 8.872 1.00 0.00 H new ATOM 0 HG23 VAL C 30 1.501 -4.455 8.170 1.00 0.00 H new ATOM 2098 N ARG C 31 -3.377 -2.677 7.784 1.00 0.00 N ATOM 2099 CA ARG C 31 -4.550 -2.323 7.004 1.00 0.00 C ATOM 2100 C ARG C 31 -4.138 -1.225 6.033 1.00 0.00 C ATOM 2101 O ARG C 31 -3.714 -0.146 6.457 1.00 0.00 O ATOM 2102 CB ARG C 31 -5.677 -1.776 7.881 1.00 0.00 C ATOM 2103 CG ARG C 31 -6.544 -2.851 8.534 1.00 0.00 C ATOM 2104 CD ARG C 31 -7.799 -2.140 9.052 1.00 0.00 C ATOM 2105 NE ARG C 31 -8.709 -3.045 9.761 1.00 0.00 N ATOM 2106 CZ ARG C 31 -9.922 -2.677 10.181 1.00 0.00 C ATOM 2107 NH1 ARG C 31 -10.349 -1.429 10.000 1.00 0.00 N ATOM 2108 NH2 ARG C 31 -10.716 -3.556 10.787 1.00 0.00 N ATOM 0 H ARG C 31 -3.353 -2.278 8.722 1.00 0.00 H new ATOM 0 HA ARG C 31 -4.915 -3.217 6.498 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -5.243 -1.152 8.662 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.313 -1.132 7.274 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -6.806 -3.628 7.816 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -6.010 -3.339 9.349 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -7.504 -1.331 9.720 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -8.326 -1.685 8.214 1.00 0.00 H new ATOM 0 HE ARG C 31 -8.401 -4.000 9.942 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -9.748 -0.746 9.538 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -11.277 -1.155 10.324 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -10.399 -4.514 10.932 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -11.642 -3.271 11.107 1.00 0.00 H new ATOM 2122 N ILE C 32 -4.266 -1.515 4.743 1.00 0.00 N ATOM 2123 CA ILE C 32 -3.925 -0.581 3.688 1.00 0.00 C ATOM 2124 C ILE C 32 -5.173 -0.345 2.849 1.00 0.00 C ATOM 2125 O ILE C 32 -5.762 -1.289 2.323 1.00 0.00 O ATOM 2126 CB ILE C 32 -2.786 -1.143 2.826 1.00 0.00 C ATOM 2127 CG1 ILE C 32 -1.651 -1.707 3.697 1.00 0.00 C ATOM 2128 CG2 ILE C 32 -2.277 -0.033 1.902 1.00 0.00 C ATOM 2129 CD1 ILE C 32 -0.451 -2.172 2.872 1.00 0.00 C ATOM 0 H ILE C 32 -4.612 -2.412 4.403 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.580 0.362 4.112 1.00 0.00 H new ATOM 0 HB ILE C 32 -3.162 -1.972 2.226 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -1.327 -0.943 4.404 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -2.030 -2.544 4.284 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -1.467 -0.418 1.283 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.091 0.310 1.263 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -1.911 0.800 2.502 1.00 0.00 H new ATOM 0 HD11 ILE C 32 0.320 -2.561 3.538 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -0.765 -2.956 2.183 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -0.051 -1.331 2.306 1.00 0.00 H new ATOM 2141 N GLY C 33 -5.575 0.918 2.730 1.00 0.00 N ATOM 2142 CA GLY C 33 -6.731 1.303 1.942 1.00 0.00 C ATOM 2143 C GLY C 33 -6.261 1.806 0.585 1.00 0.00 C ATOM 2144 O GLY C 33 -5.163 2.353 0.466 1.00 0.00 O ATOM 0 H GLY C 33 -5.103 1.702 3.181 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -7.401 0.453 1.817 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -7.295 2.081 2.457 1.00 0.00 H new ATOM 2148 N ILE C 34 -7.096 1.616 -0.438 1.00 0.00 N ATOM 2149 CA ILE C 34 -6.768 2.037 -1.787 1.00 0.00 C ATOM 2150 C ILE C 34 -7.994 2.722 -2.371 1.00 0.00 C ATOM 2151 O ILE C 34 -9.124 2.335 -2.076 1.00 0.00 O ATOM 2152 CB ILE C 34 -6.342 0.822 -2.624 1.00 0.00 C ATOM 2153 CG1 ILE C 34 -5.162 0.111 -1.940 1.00 0.00 C ATOM 2154 CG2 ILE C 34 -5.978 1.276 -4.042 1.00 0.00 C ATOM 2155 CD1 ILE C 34 -4.736 -1.161 -2.670 1.00 0.00 C ATOM 0 H ILE C 34 -8.009 1.169 -0.349 1.00 0.00 H new ATOM 0 HA ILE C 34 -5.932 2.736 -1.788 1.00 0.00 H new ATOM 0 HB ILE C 34 -7.167 0.113 -2.697 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -4.314 0.794 -1.885 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -5.438 -0.138 -0.915 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -5.676 0.412 -4.634 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -6.843 1.749 -4.506 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -5.155 1.990 -3.996 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -3.900 -1.620 -2.143 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.572 -1.859 -2.702 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -4.431 -0.912 -3.687 1.00 0.00 H new ATOM 2167 N ASN C 35 -7.775 3.743 -3.198 1.00 0.00 N ATOM 2168 CA ASN C 35 -8.857 4.498 -3.790 1.00 0.00 C ATOM 2169 C ASN C 35 -8.546 4.731 -5.262 1.00 0.00 C ATOM 2170 O ASN C 35 -7.704 5.558 -5.610 1.00 0.00 O ATOM 2171 CB ASN C 35 -9.046 5.800 -3.009 1.00 0.00 C ATOM 2172 CG ASN C 35 -10.325 6.531 -3.393 1.00 0.00 C ATOM 2173 OD1 ASN C 35 -11.040 6.132 -4.304 1.00 0.00 O ATOM 2174 ND2 ASN C 35 -10.623 7.618 -2.690 1.00 0.00 N ATOM 0 H ASN C 35 -6.845 4.062 -3.470 1.00 0.00 H new ATOM 0 HA ASN C 35 -9.798 3.951 -3.737 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -9.064 5.580 -1.942 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.191 6.453 -3.186 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.469 8.147 -2.903 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -10.006 7.924 -1.937 1.00 0.00 H new ATOM 2181 N ALA C 36 -9.243 3.983 -6.115 1.00 0.00 N ATOM 2182 CA ALA C 36 -9.063 4.027 -7.557 1.00 0.00 C ATOM 2183 C ALA C 36 -10.417 3.801 -8.234 1.00 0.00 C ATOM 2184 O ALA C 36 -11.312 3.204 -7.635 1.00 0.00 O ATOM 2185 CB ALA C 36 -8.074 2.926 -7.943 1.00 0.00 C ATOM 0 H ALA C 36 -9.958 3.321 -5.815 1.00 0.00 H new ATOM 0 HA ALA C 36 -8.674 4.993 -7.877 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -7.921 2.937 -9.022 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -7.123 3.098 -7.439 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -8.473 1.957 -7.643 1.00 0.00 H new ATOM 2191 N PRO C 37 -10.587 4.268 -9.479 1.00 0.00 N ATOM 2192 CA PRO C 37 -11.805 4.060 -10.238 1.00 0.00 C ATOM 2193 C PRO C 37 -11.909 2.603 -10.683 1.00 0.00 C ATOM 2194 O PRO C 37 -10.893 1.937 -10.868 1.00 0.00 O ATOM 2195 CB PRO C 37 -11.666 4.974 -11.454 1.00 0.00 C ATOM 2196 CG PRO C 37 -10.158 5.060 -11.668 1.00 0.00 C ATOM 2197 CD PRO C 37 -9.614 5.026 -10.242 1.00 0.00 C ATOM 0 HA PRO C 37 -12.699 4.280 -9.654 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -12.172 4.560 -12.326 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -12.101 5.956 -11.269 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -9.785 4.227 -12.263 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -9.874 5.975 -12.188 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -8.632 4.554 -10.207 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -9.498 6.033 -9.841 1.00 0.00 H new ATOM 2205 N LYS C 38 -13.134 2.098 -10.859 1.00 0.00 N ATOM 2206 CA LYS C 38 -13.351 0.747 -11.360 1.00 0.00 C ATOM 2207 C LYS C 38 -12.827 0.614 -12.791 1.00 0.00 C ATOM 2208 O LYS C 38 -12.819 -0.479 -13.349 1.00 0.00 O ATOM 2209 CB LYS C 38 -14.840 0.394 -11.270 1.00 0.00 C ATOM 2210 CG LYS C 38 -15.325 0.355 -9.813 1.00 0.00 C ATOM 2211 CD LYS C 38 -14.682 -0.777 -8.999 1.00 0.00 C ATOM 2212 CE LYS C 38 -15.019 -2.163 -9.545 1.00 0.00 C ATOM 2213 NZ LYS C 38 -16.469 -2.432 -9.496 1.00 0.00 N ATOM 0 H LYS C 38 -13.992 2.612 -10.659 1.00 0.00 H new ATOM 0 HA LYS C 38 -12.795 0.041 -10.743 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -15.423 1.127 -11.828 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -15.014 -0.575 -11.738 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -15.103 1.310 -9.336 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -16.408 0.236 -9.799 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -13.600 -0.646 -8.995 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -15.015 -0.708 -7.963 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -14.669 -2.244 -10.574 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -14.489 -2.920 -8.967 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -16.645 -3.430 -9.729 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -16.827 -2.231 -8.540 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -16.958 -1.824 -10.184 1.00 0.00 H new ATOM 2227 N ASP C 39 -12.386 1.732 -13.380 1.00 0.00 N ATOM 2228 CA ASP C 39 -11.720 1.764 -14.671 1.00 0.00 C ATOM 2229 C ASP C 39 -10.345 1.093 -14.602 1.00 0.00 C ATOM 2230 O ASP C 39 -9.711 0.886 -15.636 1.00 0.00 O ATOM 2231 CB ASP C 39 -11.564 3.222 -15.112 1.00 0.00 C ATOM 2232 CG ASP C 39 -12.917 3.832 -15.456 1.00 0.00 C ATOM 2233 OD1 ASP C 39 -13.383 3.603 -16.594 1.00 0.00 O ATOM 2234 OD2 ASP C 39 -13.479 4.526 -14.579 1.00 0.00 O ATOM 0 H ASP C 39 -12.488 2.654 -12.957 1.00 0.00 H new ATOM 0 HA ASP C 39 -12.325 1.214 -15.392 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -11.092 3.799 -14.316 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -10.905 3.276 -15.979 1.00 0.00 H new ATOM 2239 N VAL C 40 -9.883 0.750 -13.395 1.00 0.00 N ATOM 2240 CA VAL C 40 -8.620 0.049 -13.192 1.00 0.00 C ATOM 2241 C VAL C 40 -8.791 -1.025 -12.116 1.00 0.00 C ATOM 2242 O VAL C 40 -9.729 -0.972 -11.320 1.00 0.00 O ATOM 2243 CB VAL C 40 -7.492 1.022 -12.814 1.00 0.00 C ATOM 2244 CG1 VAL C 40 -7.361 2.144 -13.844 1.00 0.00 C ATOM 2245 CG2 VAL C 40 -7.711 1.655 -11.443 1.00 0.00 C ATOM 0 H VAL C 40 -10.381 0.954 -12.529 1.00 0.00 H new ATOM 0 HA VAL C 40 -8.338 -0.428 -14.131 1.00 0.00 H new ATOM 0 HB VAL C 40 -6.579 0.427 -12.790 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -6.555 2.816 -13.549 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -7.138 1.716 -14.821 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -8.297 2.701 -13.897 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -6.888 2.334 -11.220 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -8.649 2.209 -11.444 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -7.752 0.874 -10.684 1.00 0.00 H new ATOM 2255 N ALA C 41 -7.885 -2.001 -12.093 1.00 0.00 N ATOM 2256 CA ALA C 41 -7.984 -3.123 -11.173 1.00 0.00 C ATOM 2257 C ALA C 41 -7.080 -2.926 -9.956 1.00 0.00 C ATOM 2258 O ALA C 41 -6.095 -2.190 -10.009 1.00 0.00 O ATOM 2259 CB ALA C 41 -7.590 -4.398 -11.920 1.00 0.00 C ATOM 0 H ALA C 41 -7.071 -2.033 -12.707 1.00 0.00 H new ATOM 0 HA ALA C 41 -9.009 -3.198 -10.810 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -7.658 -5.251 -11.245 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -8.263 -4.548 -12.764 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -6.567 -4.305 -12.284 1.00 0.00 H new ATOM 2265 N VAL C 42 -7.419 -3.600 -8.856 1.00 0.00 N ATOM 2266 CA VAL C 42 -6.582 -3.637 -7.661 1.00 0.00 C ATOM 2267 C VAL C 42 -6.855 -4.933 -6.903 1.00 0.00 C ATOM 2268 O VAL C 42 -8.012 -5.302 -6.710 1.00 0.00 O ATOM 2269 CB VAL C 42 -6.843 -2.392 -6.797 1.00 0.00 C ATOM 2270 CG1 VAL C 42 -8.330 -2.141 -6.567 1.00 0.00 C ATOM 2271 CG2 VAL C 42 -6.172 -2.497 -5.431 1.00 0.00 C ATOM 0 H VAL C 42 -8.283 -4.135 -8.771 1.00 0.00 H new ATOM 0 HA VAL C 42 -5.527 -3.621 -7.935 1.00 0.00 H new ATOM 0 HB VAL C 42 -6.418 -1.561 -7.361 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -8.458 -1.251 -5.951 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -8.827 -1.993 -7.526 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -8.770 -2.999 -6.059 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -6.381 -1.597 -4.853 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -6.559 -3.367 -4.901 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -5.095 -2.602 -5.562 1.00 0.00 H new ATOM 2281 N HIS C 43 -5.797 -5.630 -6.473 1.00 0.00 N ATOM 2282 CA HIS C 43 -5.931 -6.927 -5.815 1.00 0.00 C ATOM 2283 C HIS C 43 -4.721 -7.245 -4.945 1.00 0.00 C ATOM 2284 O HIS C 43 -3.680 -6.602 -5.059 1.00 0.00 O ATOM 2285 CB HIS C 43 -6.009 -8.035 -6.870 1.00 0.00 C ATOM 2286 CG HIS C 43 -7.084 -7.854 -7.910 1.00 0.00 C ATOM 2287 ND1 HIS C 43 -8.427 -8.195 -7.754 1.00 0.00 N ATOM 2288 CD2 HIS C 43 -6.887 -7.333 -9.155 1.00 0.00 C ATOM 2289 CE1 HIS C 43 -9.014 -7.867 -8.917 1.00 0.00 C ATOM 2290 NE2 HIS C 43 -8.114 -7.350 -9.775 1.00 0.00 N ATOM 0 H HIS C 43 -4.833 -5.311 -6.572 1.00 0.00 H new ATOM 0 HA HIS C 43 -6.831 -6.880 -5.202 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -5.045 -8.103 -7.374 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -6.172 -8.986 -6.364 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -8.869 -8.606 -6.932 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -5.955 -6.979 -9.570 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -10.064 -8.000 -9.134 1.00 0.00 H new ATOM 2298 N ARG C 44 -4.860 -8.249 -4.075 1.00 0.00 N ATOM 2299 CA ARG C 44 -3.732 -8.808 -3.348 1.00 0.00 C ATOM 2300 C ARG C 44 -2.822 -9.507 -4.355 1.00 0.00 C ATOM 2301 O ARG C 44 -3.285 -9.918 -5.417 1.00 0.00 O ATOM 2302 CB ARG C 44 -4.249 -9.822 -2.322 1.00 0.00 C ATOM 2303 CG ARG C 44 -5.058 -9.154 -1.203 1.00 0.00 C ATOM 2304 CD ARG C 44 -6.371 -9.885 -0.928 1.00 0.00 C ATOM 2305 NE ARG C 44 -6.186 -11.314 -0.644 1.00 0.00 N ATOM 2306 CZ ARG C 44 -7.117 -12.237 -0.907 1.00 0.00 C ATOM 2307 NH1 ARG C 44 -8.296 -11.882 -1.399 1.00 0.00 N ATOM 2308 NH2 ARG C 44 -6.871 -13.523 -0.684 1.00 0.00 N ATOM 0 H ARG C 44 -5.754 -8.690 -3.860 1.00 0.00 H new ATOM 0 HA ARG C 44 -3.181 -8.025 -2.826 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -4.871 -10.561 -2.826 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -3.406 -10.359 -1.887 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -4.461 -9.127 -0.291 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -5.270 -8.120 -1.477 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -6.872 -9.414 -0.082 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -7.029 -9.774 -1.790 1.00 0.00 H new ATOM 0 HE ARG C 44 -5.306 -11.617 -0.226 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -8.498 -10.899 -1.580 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -9.001 -12.592 -1.597 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -5.967 -13.812 -0.310 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -7.586 -14.222 -0.887 1.00 0.00 H new ATOM 2322 N GLU C 45 -1.533 -9.657 -4.046 1.00 0.00 N ATOM 2323 CA GLU C 45 -0.606 -10.327 -4.952 1.00 0.00 C ATOM 2324 C GLU C 45 -0.983 -11.809 -5.106 1.00 0.00 C ATOM 2325 O GLU C 45 -0.636 -12.437 -6.106 1.00 0.00 O ATOM 2326 CB GLU C 45 0.820 -10.126 -4.428 1.00 0.00 C ATOM 2327 CG GLU C 45 1.895 -10.671 -5.373 1.00 0.00 C ATOM 2328 CD GLU C 45 2.236 -12.142 -5.134 1.00 0.00 C ATOM 2329 OE1 GLU C 45 1.713 -12.732 -4.162 1.00 0.00 O ATOM 2330 OE2 GLU C 45 3.029 -12.674 -5.942 1.00 0.00 O ATOM 0 H GLU C 45 -1.111 -9.324 -3.179 1.00 0.00 H new ATOM 0 HA GLU C 45 -0.664 -9.894 -5.951 1.00 0.00 H new ATOM 0 HB2 GLU C 45 0.994 -9.062 -4.266 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.916 -10.616 -3.459 1.00 0.00 H new ATOM 0 HG2 GLU C 45 1.557 -10.548 -6.402 1.00 0.00 H new ATOM 0 HG3 GLU C 45 2.801 -10.075 -5.261 1.00 0.00 H new ATOM 2337 N GLU C 46 -1.695 -12.361 -4.116 1.00 0.00 N ATOM 2338 CA GLU C 46 -2.154 -13.746 -4.135 1.00 0.00 C ATOM 2339 C GLU C 46 -3.448 -13.910 -4.944 1.00 0.00 C ATOM 2340 O GLU C 46 -3.942 -15.024 -5.103 1.00 0.00 O ATOM 2341 CB GLU C 46 -2.359 -14.212 -2.689 1.00 0.00 C ATOM 2342 CG GLU C 46 -3.553 -13.496 -2.042 1.00 0.00 C ATOM 2343 CD GLU C 46 -3.559 -13.642 -0.525 1.00 0.00 C ATOM 2344 OE1 GLU C 46 -2.826 -12.867 0.129 1.00 0.00 O ATOM 2345 OE2 GLU C 46 -4.295 -14.526 -0.031 1.00 0.00 O ATOM 0 H GLU C 46 -1.968 -11.852 -3.276 1.00 0.00 H new ATOM 0 HA GLU C 46 -1.398 -14.360 -4.625 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -2.523 -15.289 -2.671 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -1.457 -14.017 -2.109 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -3.525 -12.438 -2.303 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -4.480 -13.900 -2.448 1.00 0.00 H new ATOM 2352 N ILE C 47 -3.994 -12.800 -5.452 1.00 0.00 N ATOM 2353 CA ILE C 47 -5.232 -12.773 -6.226 1.00 0.00 C ATOM 2354 C ILE C 47 -4.964 -12.222 -7.619 1.00 0.00 C ATOM 2355 O ILE C 47 -5.571 -12.671 -8.587 1.00 0.00 O ATOM 2356 CB ILE C 47 -6.237 -11.879 -5.496 1.00 0.00 C ATOM 2357 CG1 ILE C 47 -6.701 -12.509 -4.181 1.00 0.00 C ATOM 2358 CG2 ILE C 47 -7.458 -11.580 -6.363 1.00 0.00 C ATOM 2359 CD1 ILE C 47 -7.312 -13.899 -4.359 1.00 0.00 C ATOM 0 H ILE C 47 -3.576 -11.877 -5.332 1.00 0.00 H new ATOM 0 HA ILE C 47 -5.631 -13.782 -6.326 1.00 0.00 H new ATOM 0 HB ILE C 47 -5.717 -10.946 -5.280 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -5.853 -12.577 -3.500 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -7.435 -11.854 -3.712 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -8.149 -10.943 -5.811 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -7.142 -11.070 -7.273 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -7.956 -12.514 -6.625 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -7.620 -14.288 -3.388 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -8.180 -13.834 -5.016 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -6.573 -14.568 -4.800 1.00 0.00 H new ATOM 2371 N TYR C 48 -4.057 -11.252 -7.742 1.00 0.00 N ATOM 2372 CA TYR C 48 -3.756 -10.633 -9.022 1.00 0.00 C ATOM 2373 C TYR C 48 -3.318 -11.679 -10.041 1.00 0.00 C ATOM 2374 O TYR C 48 -3.660 -11.580 -11.218 1.00 0.00 O ATOM 2375 CB TYR C 48 -2.653 -9.601 -8.817 1.00 0.00 C ATOM 2376 CG TYR C 48 -2.016 -9.165 -10.116 1.00 0.00 C ATOM 2377 CD1 TYR C 48 -2.803 -8.661 -11.161 1.00 0.00 C ATOM 2378 CD2 TYR C 48 -0.629 -9.281 -10.272 1.00 0.00 C ATOM 2379 CE1 TYR C 48 -2.211 -8.299 -12.378 1.00 0.00 C ATOM 2380 CE2 TYR C 48 -0.024 -8.907 -11.476 1.00 0.00 C ATOM 2381 CZ TYR C 48 -0.813 -8.415 -12.537 1.00 0.00 C ATOM 2382 OH TYR C 48 -0.225 -8.060 -13.714 1.00 0.00 O ATOM 0 H TYR C 48 -3.517 -10.880 -6.961 1.00 0.00 H new ATOM 0 HA TYR C 48 -4.652 -10.148 -9.409 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -3.066 -8.730 -8.309 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -1.887 -10.018 -8.163 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -3.869 -8.551 -11.027 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -0.025 -9.660 -9.461 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -2.821 -7.933 -13.191 1.00 0.00 H new ATOM 0 HE2 TYR C 48 1.046 -8.995 -11.593 1.00 0.00 H new ATOM 0 HH TYR C 48 -0.902 -7.693 -14.320 1.00 0.00 H new ATOM 2392 N GLN C 49 -2.562 -12.687 -9.602 1.00 0.00 N ATOM 2393 CA GLN C 49 -2.074 -13.734 -10.487 1.00 0.00 C ATOM 2394 C GLN C 49 -3.235 -14.533 -11.075 1.00 0.00 C ATOM 2395 O GLN C 49 -3.097 -15.159 -12.124 1.00 0.00 O ATOM 2396 CB GLN C 49 -1.154 -14.673 -9.708 1.00 0.00 C ATOM 2397 CG GLN C 49 0.035 -13.923 -9.108 1.00 0.00 C ATOM 2398 CD GLN C 49 0.902 -14.862 -8.283 1.00 0.00 C ATOM 2399 OE1 GLN C 49 1.527 -15.777 -8.816 1.00 0.00 O ATOM 2400 NE2 GLN C 49 0.948 -14.653 -6.971 1.00 0.00 N ATOM 0 H GLN C 49 -2.275 -12.796 -8.629 1.00 0.00 H new ATOM 0 HA GLN C 49 -1.524 -13.268 -11.304 1.00 0.00 H new ATOM 0 HB2 GLN C 49 -1.718 -15.159 -8.912 1.00 0.00 H new ATOM 0 HB3 GLN C 49 -0.792 -15.461 -10.369 1.00 0.00 H new ATOM 0 HG2 GLN C 49 0.630 -13.477 -9.905 1.00 0.00 H new ATOM 0 HG3 GLN C 49 -0.323 -13.106 -8.482 1.00 0.00 H new ATOM 0 HE21 GLN C 49 0.418 -13.885 -6.558 1.00 0.00 H new ATOM 0 HE22 GLN C 49 1.513 -15.260 -6.377 1.00 0.00 H new ATOM 2409 N ARG C 50 -4.386 -14.514 -10.391 1.00 0.00 N ATOM 2410 CA ARG C 50 -5.563 -15.267 -10.792 1.00 0.00 C ATOM 2411 C ARG C 50 -6.428 -14.486 -11.776 1.00 0.00 C ATOM 2412 O ARG C 50 -7.014 -15.093 -12.667 1.00 0.00 O ATOM 2413 CB ARG C 50 -6.341 -15.629 -9.527 1.00 0.00 C ATOM 2414 CG ARG C 50 -7.571 -16.460 -9.866 1.00 0.00 C ATOM 2415 CD ARG C 50 -8.255 -16.874 -8.568 1.00 0.00 C ATOM 2416 NE ARG C 50 -7.481 -17.887 -7.844 1.00 0.00 N ATOM 2417 CZ ARG C 50 -7.480 -19.191 -8.140 1.00 0.00 C ATOM 2418 NH1 ARG C 50 -8.211 -19.660 -9.150 1.00 0.00 N ATOM 2419 NH2 ARG C 50 -6.746 -20.036 -7.426 1.00 0.00 N ATOM 0 H ARG C 50 -4.519 -13.969 -9.539 1.00 0.00 H new ATOM 0 HA ARG C 50 -5.259 -16.173 -11.316 1.00 0.00 H new ATOM 0 HB2 ARG C 50 -5.697 -16.186 -8.846 1.00 0.00 H new ATOM 0 HB3 ARG C 50 -6.643 -14.719 -9.008 1.00 0.00 H new ATOM 0 HG2 ARG C 50 -8.257 -15.884 -10.487 1.00 0.00 H new ATOM 0 HG3 ARG C 50 -7.285 -17.341 -10.440 1.00 0.00 H new ATOM 0 HD2 ARG C 50 -8.391 -15.998 -7.933 1.00 0.00 H new ATOM 0 HD3 ARG C 50 -9.248 -17.265 -8.789 1.00 0.00 H new ATOM 0 HE ARG C 50 -6.905 -17.576 -7.062 1.00 0.00 H new ATOM 0 HH11 ARG C 50 -8.780 -19.022 -9.707 1.00 0.00 H new ATOM 0 HH12 ARG C 50 -8.202 -20.657 -9.366 1.00 0.00 H new ATOM 0 HH21 ARG C 50 -6.181 -19.691 -6.650 1.00 0.00 H new ATOM 0 HH22 ARG C 50 -6.747 -21.030 -7.654 1.00 0.00 H new ATOM 2433 N ILE C 51 -6.522 -13.158 -11.645 1.00 0.00 N ATOM 2434 CA ILE C 51 -7.282 -12.365 -12.608 1.00 0.00 C ATOM 2435 C ILE C 51 -6.626 -12.488 -13.986 1.00 0.00 C ATOM 2436 O ILE C 51 -7.252 -12.206 -15.007 1.00 0.00 O ATOM 2437 CB ILE C 51 -7.426 -10.906 -12.142 1.00 0.00 C ATOM 2438 CG1 ILE C 51 -8.467 -10.769 -11.025 1.00 0.00 C ATOM 2439 CG2 ILE C 51 -7.942 -10.010 -13.274 1.00 0.00 C ATOM 2440 CD1 ILE C 51 -8.004 -11.357 -9.698 1.00 0.00 C ATOM 0 H ILE C 51 -6.088 -12.620 -10.894 1.00 0.00 H new ATOM 0 HA ILE C 51 -8.298 -12.752 -12.682 1.00 0.00 H new ATOM 0 HB ILE C 51 -6.432 -10.610 -11.805 1.00 0.00 H new ATOM 0 HG12 ILE C 51 -8.703 -9.714 -10.885 1.00 0.00 H new ATOM 0 HG13 ILE C 51 -9.388 -11.264 -11.333 1.00 0.00 H new ATOM 0 HG21 ILE C 51 -8.033 -8.985 -12.914 1.00 0.00 H new ATOM 0 HG22 ILE C 51 -7.243 -10.040 -14.109 1.00 0.00 H new ATOM 0 HG23 ILE C 51 -8.918 -10.367 -13.604 1.00 0.00 H new ATOM 0 HD11 ILE C 51 -8.786 -11.228 -8.950 1.00 0.00 H new ATOM 0 HD12 ILE C 51 -7.795 -12.419 -9.824 1.00 0.00 H new ATOM 0 HD13 ILE C 51 -7.099 -10.845 -9.369 1.00 0.00 H new