USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=20 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= -0.384 K(o=-0.38,f=-1.3!) 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= -0.0225 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 ASN : amide:sc= 0.0577 K(o=0.054,f=-1.2!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc=-0.00372 USER MOD Set 4.1: A 11 SER OG : rot 180:sc=0.000317 USER MOD Set 4.2: A 21 THR OG1 : rot -66:sc= 0 USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00478) 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= -0.0364 (180deg=-0.284) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.15! X(o=-1.2!,f=-1.1) USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0474 K(o=-0.047,f=-1.9) USER MOD Single : A 38 LYS NZ :NH3+ -103:sc= -0.56 (180deg=-2.63!) USER MOD Single : A 43 HIS : no HE2:sc= -1.44 K(o=-1.4,f=-2.3) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.665 K(o=0.66,f=-0.84) 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= 0.00668 USER MOD Single : C 7 LYS NZ :NH3+ -159:sc= -0.095 (180deg=-0.479) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.851 X(o=-0.85,f=-0.54) USER MOD Single : C 29 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : C 35 ASN : amide:sc= -0.0336 K(o=-0.034,f=-1.9) USER MOD Single : C 38 LYS NZ :NH3+ -167:sc= -0.0156 (180deg=-0.216) USER MOD Single : C 43 HIS : no HE2:sc= -1.29 K(o=-1.3,f=-2) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 49 GLN : amide:sc= 0.816 K(o=0.82,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.969 2.957 -1.851 1.00 0.00 N ATOM 2 CA MET A 1 -12.017 2.425 -0.860 1.00 0.00 C ATOM 3 C MET A 1 -12.013 0.905 -0.878 1.00 0.00 C ATOM 4 O MET A 1 -13.064 0.294 -0.721 1.00 0.00 O ATOM 5 CB MET A 1 -12.373 2.895 0.552 1.00 0.00 C ATOM 6 CG MET A 1 -11.506 2.198 1.603 1.00 0.00 C ATOM 7 SD MET A 1 -9.752 2.633 1.547 1.00 0.00 S ATOM 8 CE MET A 1 -9.871 4.197 2.443 1.00 0.00 C ATOM 0 H1 MET A 1 -12.956 3.997 -1.822 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.698 2.634 -2.801 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.927 2.617 -1.630 1.00 0.00 H new ATOM 0 HA MET A 1 -11.029 2.799 -1.129 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.238 3.974 0.623 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.425 2.691 0.751 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.895 2.439 2.592 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.603 1.120 1.477 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.876 4.628 2.556 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.505 4.888 1.887 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.304 4.020 3.428 1.00 0.00 H new ATOM 20 N LEU A 2 -10.843 0.299 -1.065 1.00 0.00 N ATOM 21 CA LEU A 2 -10.694 -1.143 -1.012 1.00 0.00 C ATOM 22 C LEU A 2 -9.578 -1.446 -0.015 1.00 0.00 C ATOM 23 O LEU A 2 -8.406 -1.179 -0.288 1.00 0.00 O ATOM 24 CB LEU A 2 -10.401 -1.645 -2.433 1.00 0.00 C ATOM 25 CG LEU A 2 -10.445 -3.168 -2.626 1.00 0.00 C ATOM 26 CD1 LEU A 2 -9.029 -3.714 -2.702 1.00 0.00 C ATOM 27 CD2 LEU A 2 -11.181 -3.928 -1.523 1.00 0.00 C ATOM 0 H LEU A 2 -9.975 0.799 -1.257 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.593 -1.657 -0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.120 -1.190 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.414 -1.289 -2.728 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.000 -3.325 -3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.063 -4.795 -2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.508 -3.258 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.499 -3.482 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -11.162 -4.996 -1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.692 -3.745 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.215 -3.586 -1.473 1.00 0.00 H new ATOM 39 N ILE A 3 -9.950 -1.998 1.143 1.00 0.00 N ATOM 40 CA ILE A 3 -9.007 -2.343 2.195 1.00 0.00 C ATOM 41 C ILE A 3 -8.419 -3.719 1.913 1.00 0.00 C ATOM 42 O ILE A 3 -9.109 -4.602 1.402 1.00 0.00 O ATOM 43 CB ILE A 3 -9.688 -2.377 3.577 1.00 0.00 C ATOM 44 CG1 ILE A 3 -10.134 -0.982 4.036 1.00 0.00 C ATOM 45 CG2 ILE A 3 -8.688 -2.887 4.625 1.00 0.00 C ATOM 46 CD1 ILE A 3 -11.539 -0.657 3.552 1.00 0.00 C ATOM 0 H ILE A 3 -10.920 -2.217 1.372 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.228 -1.581 2.208 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.558 -3.027 3.485 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.102 -0.929 5.124 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.436 -0.234 3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.167 -2.912 5.604 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.360 -3.891 4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.826 -2.221 4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.821 0.338 3.896 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.564 -0.685 2.463 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.240 -1.391 3.950 1.00 0.00 H new ATOM 58 N LEU A 4 -7.143 -3.889 2.259 1.00 0.00 N ATOM 59 CA LEU A 4 -6.457 -5.165 2.201 1.00 0.00 C ATOM 60 C LEU A 4 -5.515 -5.245 3.396 1.00 0.00 C ATOM 61 O LEU A 4 -4.806 -4.279 3.687 1.00 0.00 O ATOM 62 CB LEU A 4 -5.644 -5.260 0.905 1.00 0.00 C ATOM 63 CG LEU A 4 -6.513 -5.280 -0.356 1.00 0.00 C ATOM 64 CD1 LEU A 4 -5.606 -5.236 -1.587 1.00 0.00 C ATOM 65 CD2 LEU A 4 -7.372 -6.540 -0.431 1.00 0.00 C ATOM 0 H LEU A 4 -6.553 -3.126 2.592 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.178 -5.982 2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.958 -4.414 0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.035 -6.163 0.932 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.174 -4.414 -0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.217 -5.250 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.009 -4.324 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.945 -6.103 -1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.974 -6.517 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.728 -7.419 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.028 -6.585 0.438 1.00 0.00 H new ATOM 77 N THR A 5 -5.494 -6.382 4.089 1.00 0.00 N ATOM 78 CA THR A 5 -4.538 -6.587 5.165 1.00 0.00 C ATOM 79 C THR A 5 -3.304 -7.243 4.564 1.00 0.00 C ATOM 80 O THR A 5 -3.410 -8.040 3.633 1.00 0.00 O ATOM 81 CB THR A 5 -5.112 -7.467 6.280 1.00 0.00 C ATOM 82 OG1 THR A 5 -5.550 -8.702 5.764 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.284 -6.781 6.969 1.00 0.00 C ATOM 0 H THR A 5 -6.124 -7.167 3.924 1.00 0.00 H new ATOM 0 HA THR A 5 -4.292 -5.626 5.618 1.00 0.00 H new ATOM 0 HB THR A 5 -4.315 -7.634 7.005 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.912 -9.251 6.491 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.672 -7.427 7.756 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.950 -5.840 7.405 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.070 -6.584 6.240 1.00 0.00 H new ATOM 91 N ARG A 6 -2.128 -6.907 5.093 1.00 0.00 N ATOM 92 CA ARG A 6 -0.883 -7.445 4.571 1.00 0.00 C ATOM 93 C ARG A 6 0.127 -7.626 5.699 1.00 0.00 C ATOM 94 O ARG A 6 0.387 -6.685 6.448 1.00 0.00 O ATOM 95 CB ARG A 6 -0.367 -6.447 3.525 1.00 0.00 C ATOM 96 CG ARG A 6 0.669 -7.034 2.563 1.00 0.00 C ATOM 97 CD ARG A 6 0.054 -7.956 1.505 1.00 0.00 C ATOM 98 NE ARG A 6 -0.258 -9.291 2.027 1.00 0.00 N ATOM 99 CZ ARG A 6 -0.858 -10.254 1.326 1.00 0.00 C ATOM 100 NH1 ARG A 6 -1.193 -10.065 0.052 1.00 0.00 N ATOM 101 NH2 ARG A 6 -1.120 -11.418 1.905 1.00 0.00 N ATOM 0 H ARG A 6 -2.017 -6.267 5.879 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.037 -8.424 4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.212 -6.072 2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.073 -5.592 4.039 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.195 -6.220 2.065 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.411 -7.591 3.134 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.857 -7.500 1.118 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.744 -8.051 0.667 1.00 0.00 H new ATOM 0 HE ARG A 6 0.002 -9.497 2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.991 -9.174 -0.402 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.651 -10.811 -0.471 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.863 -11.572 2.880 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.579 -12.159 1.375 1.00 0.00 H new ATOM 115 N LYS A 7 0.700 -8.829 5.828 1.00 0.00 N ATOM 116 CA LYS A 7 1.743 -9.079 6.811 1.00 0.00 C ATOM 117 C LYS A 7 3.059 -8.545 6.243 1.00 0.00 C ATOM 118 O LYS A 7 3.256 -8.559 5.028 1.00 0.00 O ATOM 119 CB LYS A 7 1.844 -10.583 7.091 1.00 0.00 C ATOM 120 CG LYS A 7 1.922 -10.926 8.585 1.00 0.00 C ATOM 121 CD LYS A 7 0.613 -10.605 9.316 1.00 0.00 C ATOM 122 CE LYS A 7 0.652 -11.113 10.757 1.00 0.00 C ATOM 123 NZ LYS A 7 0.713 -12.585 10.818 1.00 0.00 N ATOM 0 H LYS A 7 0.454 -9.640 5.260 1.00 0.00 H new ATOM 0 HA LYS A 7 1.515 -8.578 7.752 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.979 -11.084 6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.727 -10.979 6.589 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.153 -11.985 8.703 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.739 -10.369 9.043 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.444 -9.528 9.311 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.224 -11.062 8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.518 -10.692 11.267 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.233 -10.764 11.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.435 -12.905 11.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.064 -12.989 10.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.683 -12.901 10.617 1.00 0.00 H new ATOM 137 N VAL A 8 3.969 -8.076 7.101 1.00 0.00 N ATOM 138 CA VAL A 8 5.247 -7.567 6.623 1.00 0.00 C ATOM 139 C VAL A 8 5.965 -8.662 5.834 1.00 0.00 C ATOM 140 O VAL A 8 6.097 -9.789 6.305 1.00 0.00 O ATOM 141 CB VAL A 8 6.095 -7.013 7.777 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.329 -5.889 8.481 1.00 0.00 C ATOM 143 CG2 VAL A 8 6.453 -8.072 8.816 1.00 0.00 C ATOM 0 H VAL A 8 3.844 -8.040 8.113 1.00 0.00 H new ATOM 0 HA VAL A 8 5.075 -6.726 5.951 1.00 0.00 H new ATOM 0 HB VAL A 8 7.023 -6.649 7.336 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.931 -5.496 9.300 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.119 -5.091 7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.391 -6.280 8.875 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.053 -7.619 9.606 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.540 -8.484 9.245 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.023 -8.870 8.340 1.00 0.00 H new ATOM 153 N GLY A 9 6.430 -8.323 4.629 1.00 0.00 N ATOM 154 CA GLY A 9 7.123 -9.259 3.757 1.00 0.00 C ATOM 155 C GLY A 9 6.253 -9.740 2.595 1.00 0.00 C ATOM 156 O GLY A 9 6.701 -10.579 1.814 1.00 0.00 O ATOM 0 H GLY A 9 6.333 -7.387 4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.020 -8.784 3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.450 -10.119 4.341 1.00 0.00 H new ATOM 160 N GLU A 10 5.023 -9.229 2.467 1.00 0.00 N ATOM 161 CA GLU A 10 4.114 -9.637 1.397 1.00 0.00 C ATOM 162 C GLU A 10 3.875 -8.487 0.408 1.00 0.00 C ATOM 163 O GLU A 10 4.466 -7.416 0.552 1.00 0.00 O ATOM 164 CB GLU A 10 2.801 -10.129 2.012 1.00 0.00 C ATOM 165 CG GLU A 10 3.020 -11.309 2.960 1.00 0.00 C ATOM 166 CD GLU A 10 1.697 -11.828 3.514 1.00 0.00 C ATOM 167 OE1 GLU A 10 0.872 -10.985 3.938 1.00 0.00 O ATOM 168 OE2 GLU A 10 1.516 -13.066 3.507 1.00 0.00 O ATOM 0 H GLU A 10 4.635 -8.527 3.098 1.00 0.00 H new ATOM 0 HA GLU A 10 4.566 -10.452 0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.326 -9.312 2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.116 -10.425 1.217 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.535 -12.111 2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.666 -11.002 3.783 1.00 0.00 H new ATOM 175 N SER A 11 3.010 -8.698 -0.593 1.00 0.00 N ATOM 176 CA SER A 11 2.822 -7.732 -1.671 1.00 0.00 C ATOM 177 C SER A 11 1.361 -7.597 -2.118 1.00 0.00 C ATOM 178 O SER A 11 0.497 -8.382 -1.724 1.00 0.00 O ATOM 179 CB SER A 11 3.680 -8.147 -2.868 1.00 0.00 C ATOM 180 OG SER A 11 5.050 -8.182 -2.518 1.00 0.00 O ATOM 0 H SER A 11 2.430 -9.533 -0.674 1.00 0.00 H new ATOM 0 HA SER A 11 3.125 -6.759 -1.285 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.366 -9.129 -3.223 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.528 -7.447 -3.690 1.00 0.00 H new ATOM 0 HG SER A 11 5.580 -8.451 -3.297 1.00 0.00 H new ATOM 186 N ILE A 12 1.104 -6.580 -2.949 1.00 0.00 N ATOM 187 CA ILE A 12 -0.204 -6.215 -3.495 1.00 0.00 C ATOM 188 C ILE A 12 0.023 -5.690 -4.920 1.00 0.00 C ATOM 189 O ILE A 12 1.156 -5.391 -5.293 1.00 0.00 O ATOM 190 CB ILE A 12 -0.859 -5.162 -2.581 1.00 0.00 C ATOM 191 CG1 ILE A 12 -1.045 -5.738 -1.171 1.00 0.00 C ATOM 192 CG2 ILE A 12 -2.217 -4.694 -3.118 1.00 0.00 C ATOM 193 CD1 ILE A 12 -1.709 -4.749 -0.210 1.00 0.00 C ATOM 0 H ILE A 12 1.844 -5.958 -3.275 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.881 -7.068 -3.537 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.193 -4.299 -2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.650 -6.643 -1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.074 -6.030 -0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.640 -3.952 -2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.085 -4.250 -4.105 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.893 -5.546 -3.191 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.815 -5.211 0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.092 -3.854 -0.125 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.693 -4.477 -0.591 1.00 0.00 H new ATOM 205 N ASN A 13 -1.032 -5.569 -5.729 1.00 0.00 N ATOM 206 CA ASN A 13 -0.927 -5.151 -7.117 1.00 0.00 C ATOM 207 C ASN A 13 -1.997 -4.134 -7.501 1.00 0.00 C ATOM 208 O ASN A 13 -3.078 -4.096 -6.912 1.00 0.00 O ATOM 209 CB ASN A 13 -1.034 -6.383 -8.016 1.00 0.00 C ATOM 210 CG ASN A 13 0.317 -7.077 -8.140 1.00 0.00 C ATOM 211 OD1 ASN A 13 0.554 -8.115 -7.530 1.00 0.00 O ATOM 212 ND2 ASN A 13 1.211 -6.496 -8.937 1.00 0.00 N ATOM 0 H ASN A 13 -1.988 -5.761 -5.431 1.00 0.00 H new ATOM 0 HA ASN A 13 0.039 -4.663 -7.249 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.768 -7.076 -7.606 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.390 -6.089 -9.004 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.134 -6.914 -9.059 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.973 -5.633 -9.426 1.00 0.00 H new ATOM 219 N ILE A 14 -1.674 -3.312 -8.505 1.00 0.00 N ATOM 220 CA ILE A 14 -2.557 -2.287 -9.036 1.00 0.00 C ATOM 221 C ILE A 14 -2.361 -2.222 -10.552 1.00 0.00 C ATOM 222 O ILE A 14 -1.242 -2.372 -11.040 1.00 0.00 O ATOM 223 CB ILE A 14 -2.238 -0.928 -8.387 1.00 0.00 C ATOM 224 CG1 ILE A 14 -2.360 -1.019 -6.857 1.00 0.00 C ATOM 225 CG2 ILE A 14 -3.187 0.147 -8.932 1.00 0.00 C ATOM 226 CD1 ILE A 14 -2.002 0.298 -6.172 1.00 0.00 C ATOM 0 H ILE A 14 -0.770 -3.348 -8.976 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.596 -2.529 -8.811 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.212 -0.655 -8.634 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.379 -1.300 -6.591 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.705 -1.809 -6.488 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.955 1.106 -8.468 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.064 0.227 -10.012 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.217 -0.127 -8.703 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.103 0.186 -5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.974 0.567 -6.415 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.674 1.083 -6.519 1.00 0.00 H new ATOM 238 N GLY A 15 -3.451 -2.001 -11.293 1.00 0.00 N ATOM 239 CA GLY A 15 -3.402 -1.967 -12.746 1.00 0.00 C ATOM 240 C GLY A 15 -2.781 -3.253 -13.287 1.00 0.00 C ATOM 241 O GLY A 15 -3.048 -4.346 -12.781 1.00 0.00 O ATOM 0 H GLY A 15 -4.380 -1.843 -10.902 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.408 -1.844 -13.148 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.820 -1.107 -13.077 1.00 0.00 H new ATOM 245 N ASP A 16 -1.956 -3.113 -14.324 1.00 0.00 N ATOM 246 CA ASP A 16 -1.237 -4.221 -14.932 1.00 0.00 C ATOM 247 C ASP A 16 0.248 -3.867 -15.046 1.00 0.00 C ATOM 248 O ASP A 16 1.010 -4.572 -15.708 1.00 0.00 O ATOM 249 CB ASP A 16 -1.842 -4.544 -16.301 1.00 0.00 C ATOM 250 CG ASP A 16 -3.292 -5.002 -16.178 1.00 0.00 C ATOM 251 OD1 ASP A 16 -3.491 -6.196 -15.864 1.00 0.00 O ATOM 252 OD2 ASP A 16 -4.187 -4.154 -16.399 1.00 0.00 O ATOM 0 H ASP A 16 -1.769 -2.214 -14.768 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.328 -5.109 -14.307 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.791 -3.662 -16.940 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.253 -5.323 -16.785 1.00 0.00 H new ATOM 257 N ASP A 17 0.659 -2.769 -14.401 1.00 0.00 N ATOM 258 CA ASP A 17 2.020 -2.260 -14.479 1.00 0.00 C ATOM 259 C ASP A 17 2.521 -1.755 -13.124 1.00 0.00 C ATOM 260 O ASP A 17 3.586 -1.145 -13.066 1.00 0.00 O ATOM 261 CB ASP A 17 2.082 -1.134 -15.518 1.00 0.00 C ATOM 262 CG ASP A 17 1.713 -1.635 -16.912 1.00 0.00 C ATOM 263 OD1 ASP A 17 2.592 -2.240 -17.566 1.00 0.00 O ATOM 264 OD2 ASP A 17 0.550 -1.406 -17.318 1.00 0.00 O ATOM 0 H ASP A 17 0.047 -2.209 -13.808 1.00 0.00 H new ATOM 0 HA ASP A 17 2.672 -3.081 -14.779 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.403 -0.332 -15.227 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.086 -0.710 -15.537 1.00 0.00 H new ATOM 269 N ILE A 18 1.780 -1.995 -12.031 1.00 0.00 N ATOM 270 CA ILE A 18 2.210 -1.533 -10.714 1.00 0.00 C ATOM 271 C ILE A 18 2.123 -2.665 -9.690 1.00 0.00 C ATOM 272 O ILE A 18 1.243 -3.522 -9.761 1.00 0.00 O ATOM 273 CB ILE A 18 1.373 -0.321 -10.267 1.00 0.00 C ATOM 274 CG1 ILE A 18 1.487 0.867 -11.231 1.00 0.00 C ATOM 275 CG2 ILE A 18 1.849 0.151 -8.889 1.00 0.00 C ATOM 276 CD1 ILE A 18 0.406 0.823 -12.315 1.00 0.00 C ATOM 0 H ILE A 18 0.894 -2.499 -12.037 1.00 0.00 H new ATOM 0 HA ILE A 18 3.252 -1.220 -10.782 1.00 0.00 H new ATOM 0 HB ILE A 18 0.334 -0.651 -10.245 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.404 1.799 -10.672 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.472 0.863 -11.699 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.256 1.009 -8.573 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.731 -0.657 -8.167 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.899 0.437 -8.945 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.520 1.681 -12.978 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.506 -0.097 -12.891 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.579 0.854 -11.848 1.00 0.00 H new ATOM 288 N THR A 19 3.058 -2.655 -8.736 1.00 0.00 N ATOM 289 CA THR A 19 3.114 -3.610 -7.642 1.00 0.00 C ATOM 290 C THR A 19 3.481 -2.849 -6.372 1.00 0.00 C ATOM 291 O THR A 19 4.116 -1.795 -6.440 1.00 0.00 O ATOM 292 CB THR A 19 4.151 -4.694 -7.956 1.00 0.00 C ATOM 293 OG1 THR A 19 3.863 -5.290 -9.203 1.00 0.00 O ATOM 294 CG2 THR A 19 4.162 -5.793 -6.896 1.00 0.00 C ATOM 0 H THR A 19 3.810 -1.966 -8.708 1.00 0.00 H new ATOM 0 HA THR A 19 2.151 -4.102 -7.505 1.00 0.00 H new ATOM 0 HB THR A 19 5.127 -4.208 -7.974 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.531 -5.981 -9.397 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.910 -6.542 -7.156 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.404 -5.360 -5.925 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.180 -6.263 -6.849 1.00 0.00 H new ATOM 302 N ILE A 20 3.084 -3.381 -5.217 1.00 0.00 N ATOM 303 CA ILE A 20 3.282 -2.750 -3.919 1.00 0.00 C ATOM 304 C ILE A 20 3.818 -3.804 -2.950 1.00 0.00 C ATOM 305 O ILE A 20 3.501 -4.986 -3.081 1.00 0.00 O ATOM 306 CB ILE A 20 1.940 -2.192 -3.412 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.264 -1.246 -4.415 1.00 0.00 C ATOM 308 CG2 ILE A 20 2.127 -1.470 -2.070 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.039 0.053 -4.630 1.00 0.00 C ATOM 0 H ILE A 20 2.607 -4.281 -5.159 1.00 0.00 H new ATOM 0 HA ILE A 20 3.993 -1.928 -3.997 1.00 0.00 H new ATOM 0 HB ILE A 20 1.283 -3.052 -3.283 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.153 -1.758 -5.371 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.260 -1.009 -4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.167 -1.083 -1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.519 -2.170 -1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.827 -0.644 -2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.509 0.678 -5.349 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.127 0.585 -3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.034 -0.176 -5.012 1.00 0.00 H new ATOM 321 N THR A 21 4.626 -3.379 -1.976 1.00 0.00 N ATOM 322 CA THR A 21 5.229 -4.280 -1.004 1.00 0.00 C ATOM 323 C THR A 21 5.254 -3.610 0.368 1.00 0.00 C ATOM 324 O THR A 21 5.329 -2.384 0.460 1.00 0.00 O ATOM 325 CB THR A 21 6.652 -4.630 -1.460 1.00 0.00 C ATOM 326 OG1 THR A 21 6.615 -5.201 -2.750 1.00 0.00 O ATOM 327 CG2 THR A 21 7.333 -5.626 -0.524 1.00 0.00 C ATOM 0 H THR A 21 4.878 -2.400 -1.843 1.00 0.00 H new ATOM 0 HA THR A 21 4.644 -5.197 -0.931 1.00 0.00 H new ATOM 0 HB THR A 21 7.221 -3.700 -1.455 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.151 -6.064 -2.713 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.337 -5.841 -0.890 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.395 -5.200 0.477 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.754 -6.549 -0.491 1.00 0.00 H new ATOM 335 N ILE A 22 5.194 -4.416 1.427 1.00 0.00 N ATOM 336 CA ILE A 22 5.228 -3.927 2.798 1.00 0.00 C ATOM 337 C ILE A 22 6.542 -4.358 3.443 1.00 0.00 C ATOM 338 O ILE A 22 6.679 -5.485 3.922 1.00 0.00 O ATOM 339 CB ILE A 22 3.973 -4.388 3.558 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.060 -4.105 5.062 1.00 0.00 C ATOM 341 CG2 ILE A 22 3.697 -5.879 3.373 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.276 -2.623 5.340 1.00 0.00 C ATOM 0 H ILE A 22 5.120 -5.431 1.354 1.00 0.00 H new ATOM 0 HA ILE A 22 5.202 -2.838 2.827 1.00 0.00 H new ATOM 0 HB ILE A 22 3.157 -3.808 3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.144 -4.438 5.549 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.878 -4.680 5.495 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.801 -6.155 3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.547 -6.093 2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.545 -6.455 3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.333 -2.459 6.416 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.206 -2.297 4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.444 -2.051 4.929 1.00 0.00 H new ATOM 354 N LEU A 23 7.518 -3.448 3.449 1.00 0.00 N ATOM 355 CA LEU A 23 8.852 -3.742 3.945 1.00 0.00 C ATOM 356 C LEU A 23 8.835 -3.943 5.459 1.00 0.00 C ATOM 357 O LEU A 23 9.604 -4.750 5.982 1.00 0.00 O ATOM 358 CB LEU A 23 9.803 -2.609 3.558 1.00 0.00 C ATOM 359 CG LEU A 23 9.731 -2.240 2.071 1.00 0.00 C ATOM 360 CD1 LEU A 23 10.743 -1.139 1.771 1.00 0.00 C ATOM 361 CD2 LEU A 23 10.058 -3.422 1.168 1.00 0.00 C ATOM 0 H LEU A 23 7.401 -2.493 3.111 1.00 0.00 H new ATOM 0 HA LEU A 23 9.203 -4.669 3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.570 -1.728 4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.824 -2.900 3.804 1.00 0.00 H new ATOM 0 HG LEU A 23 8.710 -1.915 1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.692 -0.876 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.515 -0.261 2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.746 -1.492 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.994 -3.112 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.068 -3.774 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.347 -4.228 1.351 1.00 0.00 H new ATOM 373 N GLY A 24 7.965 -3.219 6.178 1.00 0.00 N ATOM 374 CA GLY A 24 7.783 -3.453 7.606 1.00 0.00 C ATOM 375 C GLY A 24 7.149 -2.264 8.324 1.00 0.00 C ATOM 376 O GLY A 24 6.780 -1.280 7.689 1.00 0.00 O ATOM 0 H GLY A 24 7.384 -2.474 5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.157 -4.334 7.748 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.749 -3.672 8.060 1.00 0.00 H new ATOM 380 N VAL A 25 7.027 -2.348 9.658 1.00 0.00 N ATOM 381 CA VAL A 25 6.463 -1.270 10.471 1.00 0.00 C ATOM 382 C VAL A 25 7.318 -1.036 11.716 1.00 0.00 C ATOM 383 O VAL A 25 8.102 -1.896 12.108 1.00 0.00 O ATOM 384 CB VAL A 25 5.001 -1.558 10.876 1.00 0.00 C ATOM 385 CG1 VAL A 25 4.227 -2.223 9.739 1.00 0.00 C ATOM 386 CG2 VAL A 25 4.888 -2.456 12.106 1.00 0.00 C ATOM 0 H VAL A 25 7.317 -3.164 10.198 1.00 0.00 H new ATOM 0 HA VAL A 25 6.465 -0.367 9.860 1.00 0.00 H new ATOM 0 HB VAL A 25 4.574 -0.583 11.110 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.202 -2.412 10.058 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.221 -1.566 8.870 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.705 -3.167 9.477 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.836 -2.621 12.340 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.370 -3.413 11.904 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.377 -1.976 12.953 1.00 0.00 H new ATOM 396 N SER A 26 7.149 0.140 12.327 1.00 0.00 N ATOM 397 CA SER A 26 7.813 0.533 13.561 1.00 0.00 C ATOM 398 C SER A 26 6.916 1.549 14.259 1.00 0.00 C ATOM 399 O SER A 26 6.814 2.690 13.812 1.00 0.00 O ATOM 400 CB SER A 26 9.167 1.174 13.262 1.00 0.00 C ATOM 401 OG SER A 26 10.051 0.240 12.677 1.00 0.00 O ATOM 0 H SER A 26 6.527 0.862 11.962 1.00 0.00 H new ATOM 0 HA SER A 26 7.983 -0.342 14.189 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.032 2.022 12.591 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.601 1.563 14.183 1.00 0.00 H new ATOM 0 HG SER A 26 10.910 0.674 12.493 1.00 0.00 H new ATOM 407 N GLY A 27 6.261 1.146 15.350 1.00 0.00 N ATOM 408 CA GLY A 27 5.271 1.989 15.999 1.00 0.00 C ATOM 409 C GLY A 27 4.096 2.180 15.054 1.00 0.00 C ATOM 410 O GLY A 27 3.289 1.268 14.878 1.00 0.00 O ATOM 0 H GLY A 27 6.403 0.241 15.798 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.936 1.530 16.930 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.708 2.953 16.258 1.00 0.00 H new ATOM 414 N GLN A 28 4.005 3.366 14.449 1.00 0.00 N ATOM 415 CA GLN A 28 2.999 3.683 13.445 1.00 0.00 C ATOM 416 C GLN A 28 3.672 3.983 12.109 1.00 0.00 C ATOM 417 O GLN A 28 2.974 4.213 11.123 1.00 0.00 O ATOM 418 CB GLN A 28 2.150 4.865 13.904 1.00 0.00 C ATOM 419 CG GLN A 28 1.265 4.534 15.108 1.00 0.00 C ATOM 420 CD GLN A 28 0.270 3.407 14.824 1.00 0.00 C ATOM 421 OE1 GLN A 28 -0.915 3.656 14.621 1.00 0.00 O ATOM 422 NE2 GLN A 28 0.737 2.160 14.805 1.00 0.00 N ATOM 0 H GLN A 28 4.638 4.140 14.648 1.00 0.00 H new ATOM 0 HA GLN A 28 2.342 2.823 13.314 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.805 5.698 14.160 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.521 5.196 13.078 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.897 4.250 15.950 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.718 5.428 15.407 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.727 1.983 14.977 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.105 1.382 14.618 1.00 0.00 H new ATOM 431 N GLN A 29 5.008 3.991 12.059 1.00 0.00 N ATOM 432 CA GLN A 29 5.705 4.141 10.791 1.00 0.00 C ATOM 433 C GLN A 29 5.590 2.842 10.014 1.00 0.00 C ATOM 434 O GLN A 29 5.453 1.768 10.602 1.00 0.00 O ATOM 435 CB GLN A 29 7.182 4.487 10.998 1.00 0.00 C ATOM 436 CG GLN A 29 7.311 5.967 11.357 1.00 0.00 C ATOM 437 CD GLN A 29 8.722 6.336 11.758 1.00 0.00 C ATOM 438 OE1 GLN A 29 9.716 5.672 11.171 1.00 0.00 O flip ATOM 439 NE2 GLN A 29 8.912 7.214 12.591 1.00 0.00 N flip ATOM 0 H GLN A 29 5.616 3.896 12.873 1.00 0.00 H new ATOM 0 HA GLN A 29 5.247 4.961 10.237 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.603 3.871 11.792 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.748 4.270 10.092 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.007 6.574 10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.629 6.202 12.175 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.119 7.696 13.014 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.863 7.463 12.861 1.00 0.00 H new ATOM 448 N VAL A 30 5.652 2.946 8.689 1.00 0.00 N ATOM 449 CA VAL A 30 5.565 1.803 7.804 1.00 0.00 C ATOM 450 C VAL A 30 6.473 2.053 6.614 1.00 0.00 C ATOM 451 O VAL A 30 6.286 3.029 5.892 1.00 0.00 O ATOM 452 CB VAL A 30 4.118 1.637 7.329 1.00 0.00 C ATOM 453 CG1 VAL A 30 4.011 0.409 6.430 1.00 0.00 C ATOM 454 CG2 VAL A 30 3.152 1.453 8.501 1.00 0.00 C ATOM 0 H VAL A 30 5.765 3.835 8.202 1.00 0.00 H new ATOM 0 HA VAL A 30 5.872 0.895 8.323 1.00 0.00 H new ATOM 0 HB VAL A 30 3.848 2.544 6.788 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.981 0.293 6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.663 0.533 5.566 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.312 -0.478 6.988 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.137 1.339 8.121 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.430 0.563 9.066 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.200 2.326 9.152 1.00 0.00 H new ATOM 464 N ARG A 31 7.459 1.178 6.401 1.00 0.00 N ATOM 465 CA ARG A 31 8.237 1.224 5.175 1.00 0.00 C ATOM 466 C ARG A 31 7.435 0.496 4.114 1.00 0.00 C ATOM 467 O ARG A 31 7.086 -0.673 4.289 1.00 0.00 O ATOM 468 CB ARG A 31 9.600 0.550 5.334 1.00 0.00 C ATOM 469 CG ARG A 31 10.634 1.483 5.948 1.00 0.00 C ATOM 470 CD ARG A 31 12.035 1.002 5.555 1.00 0.00 C ATOM 471 NE ARG A 31 12.319 -0.358 6.035 1.00 0.00 N ATOM 472 CZ ARG A 31 13.387 -1.065 5.640 1.00 0.00 C ATOM 473 NH1 ARG A 31 14.264 -0.554 4.778 1.00 0.00 N ATOM 474 NH2 ARG A 31 13.580 -2.293 6.111 1.00 0.00 N ATOM 0 H ARG A 31 7.730 0.443 7.054 1.00 0.00 H new ATOM 0 HA ARG A 31 8.426 2.263 4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.495 -0.336 5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.952 0.211 4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.475 2.503 5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.531 1.497 7.033 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.134 1.029 4.470 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.778 1.689 5.960 1.00 0.00 H new ATOM 0 HE ARG A 31 11.673 -0.784 6.700 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.128 0.387 4.409 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.072 -1.104 4.486 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.916 -2.696 6.772 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.392 -2.832 5.811 1.00 0.00 H new ATOM 488 N ILE A 32 7.151 1.200 3.022 1.00 0.00 N ATOM 489 CA ILE A 32 6.366 0.679 1.916 1.00 0.00 C ATOM 490 C ILE A 32 7.217 0.770 0.662 1.00 0.00 C ATOM 491 O ILE A 32 7.931 1.749 0.472 1.00 0.00 O ATOM 492 CB ILE A 32 5.088 1.515 1.747 1.00 0.00 C ATOM 493 CG1 ILE A 32 4.422 1.780 3.105 1.00 0.00 C ATOM 494 CG2 ILE A 32 4.137 0.792 0.788 1.00 0.00 C ATOM 495 CD1 ILE A 32 3.116 2.566 2.966 1.00 0.00 C ATOM 0 H ILE A 32 7.465 2.160 2.882 1.00 0.00 H new ATOM 0 HA ILE A 32 6.077 -0.355 2.104 1.00 0.00 H new ATOM 0 HB ILE A 32 5.344 2.486 1.323 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.221 0.830 3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.111 2.333 3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.228 1.381 0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.622 0.666 -0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.883 -0.186 1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.682 2.729 3.953 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.319 3.528 2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.415 2.002 2.351 1.00 0.00 H new ATOM 507 N GLY A 33 7.137 -0.249 -0.191 1.00 0.00 N ATOM 508 CA GLY A 33 7.882 -0.291 -1.434 1.00 0.00 C ATOM 509 C GLY A 33 6.903 -0.276 -2.595 1.00 0.00 C ATOM 510 O GLY A 33 5.800 -0.805 -2.482 1.00 0.00 O ATOM 0 H GLY A 33 6.550 -1.068 -0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.556 0.563 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.500 -1.188 -1.473 1.00 0.00 H new ATOM 514 N ILE A 34 7.305 0.330 -3.710 1.00 0.00 N ATOM 515 CA ILE A 34 6.461 0.413 -4.886 1.00 0.00 C ATOM 516 C ILE A 34 7.308 0.084 -6.106 1.00 0.00 C ATOM 517 O ILE A 34 8.486 0.430 -6.162 1.00 0.00 O ATOM 518 CB ILE A 34 5.839 1.816 -4.979 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.033 2.102 -3.704 1.00 0.00 C ATOM 520 CG2 ILE A 34 4.960 1.905 -6.230 1.00 0.00 C ATOM 521 CD1 ILE A 34 4.442 3.510 -3.679 1.00 0.00 C ATOM 0 H ILE A 34 8.218 0.772 -3.818 1.00 0.00 H new ATOM 0 HA ILE A 34 5.640 -0.302 -4.829 1.00 0.00 H new ATOM 0 HB ILE A 34 6.622 2.570 -5.063 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.227 1.373 -3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.677 1.968 -2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.519 2.900 -6.295 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.568 1.718 -7.116 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.167 1.160 -6.171 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.883 3.654 -2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.247 4.243 -3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.774 3.639 -4.530 1.00 0.00 H new ATOM 533 N ASN A 35 6.703 -0.580 -7.090 1.00 0.00 N ATOM 534 CA ASN A 35 7.403 -0.999 -8.288 1.00 0.00 C ATOM 535 C ASN A 35 6.533 -0.680 -9.495 1.00 0.00 C ATOM 536 O ASN A 35 5.566 -1.385 -9.784 1.00 0.00 O ATOM 537 CB ASN A 35 7.732 -2.489 -8.182 1.00 0.00 C ATOM 538 CG ASN A 35 8.700 -2.944 -9.264 1.00 0.00 C ATOM 539 OD1 ASN A 35 9.047 -2.185 -10.164 1.00 0.00 O ATOM 540 ND2 ASN A 35 9.145 -4.194 -9.180 1.00 0.00 N ATOM 0 H ASN A 35 5.716 -0.839 -7.073 1.00 0.00 H new ATOM 0 HA ASN A 35 8.346 -0.465 -8.403 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.163 -2.695 -7.202 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.811 -3.068 -8.254 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.797 -4.551 -9.878 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.834 -4.796 -8.417 1.00 0.00 H new ATOM 547 N ALA A 36 6.892 0.397 -10.194 1.00 0.00 N ATOM 548 CA ALA A 36 6.158 0.889 -11.343 1.00 0.00 C ATOM 549 C ALA A 36 7.142 1.460 -12.366 1.00 0.00 C ATOM 550 O ALA A 36 8.243 1.872 -11.997 1.00 0.00 O ATOM 551 CB ALA A 36 5.189 1.973 -10.856 1.00 0.00 C ATOM 0 H ALA A 36 7.715 0.956 -9.968 1.00 0.00 H new ATOM 0 HA ALA A 36 5.597 0.086 -11.822 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.623 2.362 -11.702 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.502 1.546 -10.125 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.752 2.784 -10.394 1.00 0.00 H new ATOM 557 N PRO A 37 6.769 1.497 -13.651 1.00 0.00 N ATOM 558 CA PRO A 37 7.585 2.087 -14.696 1.00 0.00 C ATOM 559 C PRO A 37 7.595 3.604 -14.563 1.00 0.00 C ATOM 560 O PRO A 37 6.640 4.192 -14.053 1.00 0.00 O ATOM 561 CB PRO A 37 6.912 1.673 -16.008 1.00 0.00 C ATOM 562 CG PRO A 37 5.446 1.499 -15.621 1.00 0.00 C ATOM 563 CD PRO A 37 5.528 0.969 -14.193 1.00 0.00 C ATOM 0 HA PRO A 37 8.622 1.754 -14.645 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.035 2.433 -16.779 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.335 0.749 -16.401 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.901 2.442 -15.671 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.934 0.800 -16.282 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.672 1.297 -13.603 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.526 -0.121 -14.179 1.00 0.00 H new ATOM 571 N LYS A 38 8.669 4.249 -15.027 1.00 0.00 N ATOM 572 CA LYS A 38 8.750 5.704 -15.045 1.00 0.00 C ATOM 573 C LYS A 38 7.716 6.292 -16.007 1.00 0.00 C ATOM 574 O LYS A 38 7.609 7.511 -16.127 1.00 0.00 O ATOM 575 CB LYS A 38 10.176 6.130 -15.413 1.00 0.00 C ATOM 576 CG LYS A 38 11.173 5.796 -14.292 1.00 0.00 C ATOM 577 CD LYS A 38 10.944 6.566 -12.985 1.00 0.00 C ATOM 578 CE LYS A 38 11.347 8.043 -13.066 1.00 0.00 C ATOM 579 NZ LYS A 38 10.347 8.861 -13.781 1.00 0.00 N ATOM 0 H LYS A 38 9.496 3.780 -15.396 1.00 0.00 H new ATOM 0 HA LYS A 38 8.520 6.093 -14.053 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.480 5.629 -16.332 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.196 7.202 -15.612 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.120 4.727 -14.083 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.182 6.002 -14.648 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.890 6.500 -12.713 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.510 6.087 -12.186 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.480 8.436 -12.058 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.309 8.127 -13.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.688 9.064 -14.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.448 8.341 -13.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.200 9.755 -13.270 1.00 0.00 H new ATOM 593 N ASP A 39 6.963 5.425 -16.687 1.00 0.00 N ATOM 594 CA ASP A 39 5.842 5.809 -17.532 1.00 0.00 C ATOM 595 C ASP A 39 4.688 6.349 -16.685 1.00 0.00 C ATOM 596 O ASP A 39 3.742 6.919 -17.224 1.00 0.00 O ATOM 597 CB ASP A 39 5.385 4.580 -18.316 1.00 0.00 C ATOM 598 CG ASP A 39 4.398 4.950 -19.421 1.00 0.00 C ATOM 599 OD1 ASP A 39 4.777 5.764 -20.291 1.00 0.00 O ATOM 600 OD2 ASP A 39 3.266 4.414 -19.388 1.00 0.00 O ATOM 0 H ASP A 39 7.123 4.418 -16.662 1.00 0.00 H new ATOM 0 HA ASP A 39 6.154 6.598 -18.217 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.252 4.084 -18.753 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.919 3.867 -17.636 1.00 0.00 H new ATOM 605 N VAL A 40 4.770 6.171 -15.360 1.00 0.00 N ATOM 606 CA VAL A 40 3.759 6.630 -14.420 1.00 0.00 C ATOM 607 C VAL A 40 4.445 7.229 -13.194 1.00 0.00 C ATOM 608 O VAL A 40 5.622 6.971 -12.942 1.00 0.00 O ATOM 609 CB VAL A 40 2.812 5.490 -14.017 1.00 0.00 C ATOM 610 CG1 VAL A 40 2.207 4.827 -15.252 1.00 0.00 C ATOM 611 CG2 VAL A 40 3.524 4.407 -13.201 1.00 0.00 C ATOM 0 H VAL A 40 5.554 5.697 -14.912 1.00 0.00 H new ATOM 0 HA VAL A 40 3.152 7.396 -14.902 1.00 0.00 H new ATOM 0 HB VAL A 40 2.033 5.944 -13.405 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.540 4.022 -14.943 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.645 5.566 -15.823 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.004 4.419 -15.873 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.814 3.623 -12.939 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.335 3.980 -13.792 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.931 4.846 -12.290 1.00 0.00 H new ATOM 621 N ALA A 41 3.708 8.036 -12.430 1.00 0.00 N ATOM 622 CA ALA A 41 4.267 8.744 -11.292 1.00 0.00 C ATOM 623 C ALA A 41 3.845 8.105 -9.972 1.00 0.00 C ATOM 624 O ALA A 41 2.832 7.410 -9.903 1.00 0.00 O ATOM 625 CB ALA A 41 3.805 10.197 -11.356 1.00 0.00 C ATOM 0 H ALA A 41 2.715 8.212 -12.586 1.00 0.00 H new ATOM 0 HA ALA A 41 5.355 8.692 -11.336 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.215 10.747 -10.509 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.154 10.649 -12.285 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.716 10.234 -11.321 1.00 0.00 H new ATOM 631 N VAL A 42 4.633 8.344 -8.917 1.00 0.00 N ATOM 632 CA VAL A 42 4.325 7.860 -7.574 1.00 0.00 C ATOM 633 C VAL A 42 4.968 8.787 -6.540 1.00 0.00 C ATOM 634 O VAL A 42 6.149 9.106 -6.653 1.00 0.00 O ATOM 635 CB VAL A 42 4.820 6.410 -7.433 1.00 0.00 C ATOM 636 CG1 VAL A 42 6.255 6.230 -7.913 1.00 0.00 C ATOM 637 CG2 VAL A 42 4.760 5.917 -5.993 1.00 0.00 C ATOM 0 H VAL A 42 5.500 8.878 -8.974 1.00 0.00 H new ATOM 0 HA VAL A 42 3.249 7.866 -7.402 1.00 0.00 H new ATOM 0 HB VAL A 42 4.145 5.828 -8.060 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.552 5.188 -7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.324 6.505 -8.965 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.917 6.867 -7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.119 4.889 -5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.387 6.550 -5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.731 5.958 -5.637 1.00 0.00 H new ATOM 647 N HIS A 43 4.201 9.223 -5.532 1.00 0.00 N ATOM 648 CA HIS A 43 4.678 10.175 -4.528 1.00 0.00 C ATOM 649 C HIS A 43 3.842 10.116 -3.253 1.00 0.00 C ATOM 650 O HIS A 43 2.754 9.543 -3.253 1.00 0.00 O ATOM 651 CB HIS A 43 4.531 11.603 -5.069 1.00 0.00 C ATOM 652 CG HIS A 43 5.155 11.837 -6.415 1.00 0.00 C ATOM 653 ND1 HIS A 43 6.494 12.162 -6.644 1.00 0.00 N ATOM 654 CD2 HIS A 43 4.496 11.760 -7.608 1.00 0.00 C ATOM 655 CE1 HIS A 43 6.610 12.276 -7.977 1.00 0.00 C ATOM 656 NE2 HIS A 43 5.428 12.042 -8.580 1.00 0.00 N ATOM 0 H HIS A 43 3.236 8.925 -5.392 1.00 0.00 H new ATOM 0 HA HIS A 43 5.714 9.917 -4.311 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.470 11.846 -5.130 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.976 12.295 -4.353 1.00 0.00 H new ATOM 0 HD1 HIS A 43 7.228 12.286 -5.947 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.453 11.525 -7.759 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.525 12.522 -8.495 1.00 0.00 H new ATOM 664 N ARG A 44 4.342 10.710 -2.162 1.00 0.00 N ATOM 665 CA ARG A 44 3.524 10.922 -0.970 1.00 0.00 C ATOM 666 C ARG A 44 2.441 11.943 -1.310 1.00 0.00 C ATOM 667 O ARG A 44 2.571 12.700 -2.268 1.00 0.00 O ATOM 668 CB ARG A 44 4.380 11.432 0.196 1.00 0.00 C ATOM 669 CG ARG A 44 5.003 10.274 0.975 1.00 0.00 C ATOM 670 CD ARG A 44 5.873 10.771 2.135 1.00 0.00 C ATOM 671 NE ARG A 44 5.141 11.668 3.044 1.00 0.00 N ATOM 672 CZ ARG A 44 4.539 11.313 4.183 1.00 0.00 C ATOM 673 NH1 ARG A 44 4.537 10.055 4.616 1.00 0.00 N ATOM 674 NH2 ARG A 44 3.924 12.236 4.910 1.00 0.00 N ATOM 0 H ARG A 44 5.301 11.048 -2.084 1.00 0.00 H new ATOM 0 HA ARG A 44 3.074 9.978 -0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.167 12.082 -0.185 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.765 12.034 0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.213 9.630 1.363 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.608 9.666 0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.247 9.915 2.697 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.742 11.294 1.735 1.00 0.00 H new ATOM 0 HE ARG A 44 5.088 12.652 2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.004 9.328 4.074 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.068 9.817 5.490 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.913 13.207 4.598 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.462 11.975 5.781 1.00 0.00 H new ATOM 688 N GLU A 45 1.365 11.967 -0.525 1.00 0.00 N ATOM 689 CA GLU A 45 0.224 12.832 -0.784 1.00 0.00 C ATOM 690 C GLU A 45 0.630 14.312 -0.767 1.00 0.00 C ATOM 691 O GLU A 45 0.075 15.118 -1.510 1.00 0.00 O ATOM 692 CB GLU A 45 -0.838 12.524 0.275 1.00 0.00 C ATOM 693 CG GLU A 45 -2.247 12.937 -0.151 1.00 0.00 C ATOM 694 CD GLU A 45 -2.469 14.443 -0.160 1.00 0.00 C ATOM 695 OE1 GLU A 45 -2.074 15.100 0.827 1.00 0.00 O ATOM 696 OE2 GLU A 45 -3.039 14.921 -1.165 1.00 0.00 O ATOM 0 H GLU A 45 1.263 11.386 0.307 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.177 12.641 -1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.829 11.456 0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.579 13.038 1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.445 12.544 -1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.970 12.476 0.522 1.00 0.00 H new ATOM 703 N GLU A 46 1.598 14.674 0.080 1.00 0.00 N ATOM 704 CA GLU A 46 2.062 16.056 0.207 1.00 0.00 C ATOM 705 C GLU A 46 2.968 16.483 -0.947 1.00 0.00 C ATOM 706 O GLU A 46 3.225 17.674 -1.122 1.00 0.00 O ATOM 707 CB GLU A 46 2.785 16.237 1.543 1.00 0.00 C ATOM 708 CG GLU A 46 4.120 15.490 1.568 1.00 0.00 C ATOM 709 CD GLU A 46 4.764 15.571 2.947 1.00 0.00 C ATOM 710 OE1 GLU A 46 5.432 16.593 3.223 1.00 0.00 O ATOM 711 OE2 GLU A 46 4.585 14.601 3.718 1.00 0.00 O ATOM 0 H GLU A 46 2.080 14.018 0.695 1.00 0.00 H new ATOM 0 HA GLU A 46 1.182 16.699 0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.958 17.298 1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.150 15.876 2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.962 14.446 1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.793 15.915 0.823 1.00 0.00 H new ATOM 718 N ILE A 47 3.459 15.521 -1.737 1.00 0.00 N ATOM 719 CA ILE A 47 4.324 15.792 -2.880 1.00 0.00 C ATOM 720 C ILE A 47 3.520 15.692 -4.166 1.00 0.00 C ATOM 721 O ILE A 47 3.788 16.420 -5.115 1.00 0.00 O ATOM 722 CB ILE A 47 5.494 14.800 -2.860 1.00 0.00 C ATOM 723 CG1 ILE A 47 6.427 15.062 -1.668 1.00 0.00 C ATOM 724 CG2 ILE A 47 6.291 14.870 -4.161 1.00 0.00 C ATOM 725 CD1 ILE A 47 6.970 16.495 -1.636 1.00 0.00 C ATOM 0 H ILE A 47 3.264 14.530 -1.597 1.00 0.00 H new ATOM 0 HA ILE A 47 4.728 16.803 -2.824 1.00 0.00 H new ATOM 0 HB ILE A 47 5.070 13.801 -2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.888 14.863 -0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.263 14.363 -1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.115 14.157 -4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.640 14.626 -5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.688 15.877 -4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.622 16.618 -0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.535 16.690 -2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.139 17.197 -1.566 1.00 0.00 H new ATOM 737 N TYR A 48 2.535 14.791 -4.211 1.00 0.00 N ATOM 738 CA TYR A 48 1.709 14.619 -5.391 1.00 0.00 C ATOM 739 C TYR A 48 1.061 15.937 -5.808 1.00 0.00 C ATOM 740 O TYR A 48 0.967 16.225 -6.998 1.00 0.00 O ATOM 741 CB TYR A 48 0.627 13.587 -5.082 1.00 0.00 C ATOM 742 CG TYR A 48 -0.484 13.567 -6.106 1.00 0.00 C ATOM 743 CD1 TYR A 48 -0.191 13.423 -7.472 1.00 0.00 C ATOM 744 CD2 TYR A 48 -1.811 13.698 -5.677 1.00 0.00 C ATOM 745 CE1 TYR A 48 -1.225 13.437 -8.417 1.00 0.00 C ATOM 746 CE2 TYR A 48 -2.850 13.697 -6.617 1.00 0.00 C ATOM 747 CZ TYR A 48 -2.562 13.568 -7.991 1.00 0.00 C ATOM 748 OH TYR A 48 -3.566 13.572 -8.910 1.00 0.00 O ATOM 0 H TYR A 48 2.296 14.171 -3.437 1.00 0.00 H new ATOM 0 HA TYR A 48 2.335 14.279 -6.216 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.082 12.598 -5.029 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.204 13.796 -4.100 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.833 13.301 -7.794 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.033 13.799 -4.625 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.998 13.348 -9.469 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.874 13.795 -6.288 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.427 13.669 -8.453 1.00 0.00 H new ATOM 758 N GLN A 49 0.617 16.744 -4.838 1.00 0.00 N ATOM 759 CA GLN A 49 -0.039 18.006 -5.141 1.00 0.00 C ATOM 760 C GLN A 49 0.924 18.981 -5.814 1.00 0.00 C ATOM 761 O GLN A 49 0.495 19.912 -6.491 1.00 0.00 O ATOM 762 CB GLN A 49 -0.574 18.638 -3.858 1.00 0.00 C ATOM 763 CG GLN A 49 -1.654 17.769 -3.208 1.00 0.00 C ATOM 764 CD GLN A 49 -2.157 18.400 -1.912 1.00 0.00 C ATOM 765 OE1 GLN A 49 -2.143 19.615 -1.747 1.00 0.00 O ATOM 766 NE2 GLN A 49 -2.603 17.572 -0.974 1.00 0.00 N ATOM 0 H GLN A 49 0.703 16.541 -3.842 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.862 17.798 -5.825 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.246 18.786 -3.155 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.984 19.623 -4.081 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.486 17.638 -3.900 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.252 16.777 -3.002 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.602 16.566 -1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.946 17.943 -0.088 1.00 0.00 H new ATOM 775 N ARG A 50 2.233 18.772 -5.631 1.00 0.00 N ATOM 776 CA ARG A 50 3.242 19.660 -6.180 1.00 0.00 C ATOM 777 C ARG A 50 3.548 19.314 -7.633 1.00 0.00 C ATOM 778 O ARG A 50 3.797 20.213 -8.431 1.00 0.00 O ATOM 779 CB ARG A 50 4.495 19.561 -5.314 1.00 0.00 C ATOM 780 CG ARG A 50 5.565 20.523 -5.818 1.00 0.00 C ATOM 781 CD ARG A 50 6.741 20.507 -4.849 1.00 0.00 C ATOM 782 NE ARG A 50 6.403 21.177 -3.586 1.00 0.00 N ATOM 783 CZ ARG A 50 6.910 20.856 -2.391 1.00 0.00 C ATOM 784 NH1 ARG A 50 7.779 19.857 -2.258 1.00 0.00 N ATOM 785 NH2 ARG A 50 6.543 21.538 -1.311 1.00 0.00 N ATOM 0 H ARG A 50 2.612 17.987 -5.101 1.00 0.00 H new ATOM 0 HA ARG A 50 2.871 20.685 -6.171 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.248 19.792 -4.278 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.877 18.540 -5.331 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.895 20.231 -6.815 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.158 21.531 -5.899 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.036 19.477 -4.649 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.598 21.001 -5.307 1.00 0.00 H new ATOM 0 HE ARG A 50 5.732 21.944 -3.623 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.069 19.321 -3.076 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.155 19.627 -1.338 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.876 22.305 -1.394 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.929 21.295 -0.399 1.00 0.00 H new ATOM 799 N ILE A 51 3.527 18.024 -7.985 1.00 0.00 N ATOM 800 CA ILE A 51 3.719 17.617 -9.373 1.00 0.00 C ATOM 801 C ILE A 51 2.542 18.139 -10.208 1.00 0.00 C ATOM 802 O ILE A 51 2.619 18.203 -11.434 1.00 0.00 O ATOM 803 CB ILE A 51 3.917 16.095 -9.476 1.00 0.00 C ATOM 804 CG1 ILE A 51 5.298 15.683 -8.949 1.00 0.00 C ATOM 805 CG2 ILE A 51 3.877 15.633 -10.935 1.00 0.00 C ATOM 806 CD1 ILE A 51 5.392 15.725 -7.431 1.00 0.00 C ATOM 0 H ILE A 51 3.380 17.254 -7.332 1.00 0.00 H new ATOM 0 HA ILE A 51 4.632 18.056 -9.776 1.00 0.00 H new ATOM 0 HB ILE A 51 3.115 15.644 -8.892 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.526 14.674 -9.294 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.054 16.344 -9.373 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.020 14.553 -10.979 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.912 15.890 -11.372 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.671 16.127 -11.495 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.392 15.423 -7.120 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.194 16.738 -7.082 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.658 15.043 -7.002 1.00 0.00 H new ATOM 1635 N MET C 1 12.033 0.070 -7.725 1.00 0.00 N ATOM 1636 CA MET C 1 11.613 0.138 -6.312 1.00 0.00 C ATOM 1637 C MET C 1 11.742 1.551 -5.770 1.00 0.00 C ATOM 1638 O MET C 1 12.825 2.122 -5.807 1.00 0.00 O ATOM 1639 CB MET C 1 12.453 -0.793 -5.438 1.00 0.00 C ATOM 1640 CG MET C 1 12.142 -0.594 -3.951 1.00 0.00 C ATOM 1641 SD MET C 1 10.463 -1.055 -3.466 1.00 0.00 S ATOM 1642 CE MET C 1 10.750 -2.831 -3.277 1.00 0.00 C ATOM 0 H1 MET C 1 11.935 -0.906 -8.070 1.00 0.00 H new ATOM 0 H2 MET C 1 11.435 0.701 -8.296 1.00 0.00 H new ATOM 0 H3 MET C 1 13.026 0.368 -7.807 1.00 0.00 H new ATOM 0 HA MET C 1 10.569 -0.174 -6.279 1.00 0.00 H new ATOM 0 HB2 MET C 1 12.260 -1.829 -5.716 1.00 0.00 H new ATOM 0 HB3 MET C 1 13.512 -0.607 -5.618 1.00 0.00 H new ATOM 0 HG2 MET C 1 12.850 -1.179 -3.364 1.00 0.00 H new ATOM 0 HG3 MET C 1 12.305 0.453 -3.696 1.00 0.00 H new ATOM 0 HE1 MET C 1 9.823 -3.319 -2.975 1.00 0.00 H new ATOM 0 HE2 MET C 1 11.087 -3.248 -4.226 1.00 0.00 H new ATOM 0 HE3 MET C 1 11.512 -2.997 -2.516 1.00 0.00 H new ATOM 1654 N LEU C 2 10.645 2.115 -5.265 1.00 0.00 N ATOM 1655 CA LEU C 2 10.652 3.424 -4.640 1.00 0.00 C ATOM 1656 C LEU C 2 10.022 3.263 -3.259 1.00 0.00 C ATOM 1657 O LEU C 2 8.828 2.984 -3.147 1.00 0.00 O ATOM 1658 CB LEU C 2 9.898 4.405 -5.545 1.00 0.00 C ATOM 1659 CG LEU C 2 9.995 5.881 -5.137 1.00 0.00 C ATOM 1660 CD1 LEU C 2 8.747 6.280 -4.367 1.00 0.00 C ATOM 1661 CD2 LEU C 2 11.191 6.222 -4.248 1.00 0.00 C ATOM 0 H LEU C 2 9.727 1.670 -5.281 1.00 0.00 H new ATOM 0 HA LEU C 2 11.655 3.830 -4.511 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.277 4.301 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU C 2 8.846 4.119 -5.566 1.00 0.00 H new ATOM 0 HG LEU C 2 10.111 6.424 -6.075 1.00 0.00 H new ATOM 0 HD11 LEU C 2 8.818 7.329 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU C 2 7.869 6.135 -4.997 1.00 0.00 H new ATOM 0 HD13 LEU C 2 8.658 5.662 -3.473 1.00 0.00 H new ATOM 0 HD21 LEU C 2 11.177 7.286 -4.011 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.135 5.644 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.115 5.980 -4.773 1.00 0.00 H new ATOM 1673 N ILE C 3 10.831 3.436 -2.212 1.00 0.00 N ATOM 1674 CA ILE C 3 10.379 3.334 -0.833 1.00 0.00 C ATOM 1675 C ILE C 3 9.865 4.692 -0.373 1.00 0.00 C ATOM 1676 O ILE C 3 10.393 5.734 -0.765 1.00 0.00 O ATOM 1677 CB ILE C 3 11.520 2.888 0.107 1.00 0.00 C ATOM 1678 CG1 ILE C 3 11.966 1.443 -0.150 1.00 0.00 C ATOM 1679 CG2 ILE C 3 11.030 2.947 1.559 1.00 0.00 C ATOM 1680 CD1 ILE C 3 13.050 1.373 -1.219 1.00 0.00 C ATOM 0 H ILE C 3 11.824 3.652 -2.303 1.00 0.00 H new ATOM 0 HA ILE C 3 9.587 2.586 -0.792 1.00 0.00 H new ATOM 0 HB ILE C 3 12.358 3.559 -0.079 1.00 0.00 H new ATOM 0 HG12 ILE C 3 12.339 1.006 0.776 1.00 0.00 H new ATOM 0 HG13 ILE C 3 11.108 0.847 -0.461 1.00 0.00 H new ATOM 0 HG21 ILE C 3 11.832 2.633 2.227 1.00 0.00 H new ATOM 0 HG22 ILE C 3 10.734 3.968 1.802 1.00 0.00 H new ATOM 0 HG23 ILE C 3 10.175 2.282 1.682 1.00 0.00 H new ATOM 0 HD11 ILE C 3 13.341 0.334 -1.374 1.00 0.00 H new ATOM 0 HD12 ILE C 3 12.668 1.786 -2.152 1.00 0.00 H new ATOM 0 HD13 ILE C 3 13.917 1.948 -0.896 1.00 0.00 H new ATOM 1692 N LEU C 4 8.828 4.665 0.464 1.00 0.00 N ATOM 1693 CA LEU C 4 8.331 5.835 1.158 1.00 0.00 C ATOM 1694 C LEU C 4 7.960 5.403 2.568 1.00 0.00 C ATOM 1695 O LEU C 4 7.307 4.372 2.741 1.00 0.00 O ATOM 1696 CB LEU C 4 7.086 6.386 0.446 1.00 0.00 C ATOM 1697 CG LEU C 4 7.379 6.973 -0.937 1.00 0.00 C ATOM 1698 CD1 LEU C 4 6.067 7.362 -1.615 1.00 0.00 C ATOM 1699 CD2 LEU C 4 8.254 8.223 -0.844 1.00 0.00 C ATOM 0 H LEU C 4 8.308 3.814 0.677 1.00 0.00 H new ATOM 0 HA LEU C 4 9.090 6.617 1.174 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.353 5.586 0.344 1.00 0.00 H new ATOM 0 HB3 LEU C 4 6.633 7.156 1.070 1.00 0.00 H new ATOM 0 HG LEU C 4 7.907 6.212 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU C 4 6.276 7.780 -2.600 1.00 0.00 H new ATOM 0 HD12 LEU C 4 5.437 6.479 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU C 4 5.550 8.105 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU C 4 8.441 8.612 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU C 4 7.744 8.981 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU C 4 9.202 7.969 -0.371 1.00 0.00 H new ATOM 1711 N THR C 5 8.370 6.172 3.579 1.00 0.00 N ATOM 1712 CA THR C 5 7.914 5.918 4.936 1.00 0.00 C ATOM 1713 C THR C 5 6.614 6.673 5.125 1.00 0.00 C ATOM 1714 O THR C 5 6.410 7.737 4.537 1.00 0.00 O ATOM 1715 CB THR C 5 8.942 6.363 5.980 1.00 0.00 C ATOM 1716 OG1 THR C 5 9.422 7.651 5.685 1.00 0.00 O ATOM 1717 CG2 THR C 5 10.112 5.391 6.012 1.00 0.00 C ATOM 0 H THR C 5 9.007 6.963 3.481 1.00 0.00 H new ATOM 0 HA THR C 5 7.773 4.846 5.077 1.00 0.00 H new ATOM 0 HB THR C 5 8.451 6.378 6.953 1.00 0.00 H new ATOM 0 HG1 THR C 5 10.076 7.920 6.363 1.00 0.00 H new ATOM 0 HG21 THR C 5 10.836 5.718 6.758 1.00 0.00 H new ATOM 0 HG22 THR C 5 9.751 4.395 6.269 1.00 0.00 H new ATOM 0 HG23 THR C 5 10.588 5.363 5.032 1.00 0.00 H new ATOM 1725 N ARG C 6 5.727 6.118 5.949 1.00 0.00 N ATOM 1726 CA ARG C 6 4.432 6.718 6.190 1.00 0.00 C ATOM 1727 C ARG C 6 4.002 6.408 7.612 1.00 0.00 C ATOM 1728 O ARG C 6 4.464 5.422 8.184 1.00 0.00 O ATOM 1729 CB ARG C 6 3.465 6.147 5.154 1.00 0.00 C ATOM 1730 CG ARG C 6 2.244 7.041 4.987 1.00 0.00 C ATOM 1731 CD ARG C 6 1.513 6.674 3.700 1.00 0.00 C ATOM 1732 NE ARG C 6 1.002 5.303 3.749 1.00 0.00 N ATOM 1733 CZ ARG C 6 0.286 4.724 2.783 1.00 0.00 C ATOM 1734 NH1 ARG C 6 -0.109 5.422 1.724 1.00 0.00 N ATOM 1735 NH2 ARG C 6 -0.042 3.437 2.861 1.00 0.00 N ATOM 0 H ARG C 6 5.890 5.250 6.459 1.00 0.00 H new ATOM 0 HA ARG C 6 4.456 7.803 6.089 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.975 6.041 4.196 1.00 0.00 H new ATOM 0 HB3 ARG C 6 3.149 5.149 5.459 1.00 0.00 H new ATOM 0 HG2 ARG C 6 1.577 6.926 5.841 1.00 0.00 H new ATOM 0 HG3 ARG C 6 2.548 8.087 4.959 1.00 0.00 H new ATOM 0 HD2 ARG C 6 0.687 7.366 3.539 1.00 0.00 H new ATOM 0 HD3 ARG C 6 2.189 6.782 2.852 1.00 0.00 H new ATOM 0 HE ARG C 6 1.208 4.751 4.581 1.00 0.00 H new ATOM 0 HH11 ARG C 6 0.135 6.409 1.644 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -0.656 4.971 0.991 1.00 0.00 H new ATOM 0 HH21 ARG C 6 0.254 2.883 3.665 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -0.590 3.004 2.117 1.00 0.00 H new ATOM 1749 N LYS C 7 3.128 7.230 8.189 1.00 0.00 N ATOM 1750 CA LYS C 7 2.619 7.010 9.536 1.00 0.00 C ATOM 1751 C LYS C 7 1.162 6.613 9.405 1.00 0.00 C ATOM 1752 O LYS C 7 0.463 7.123 8.530 1.00 0.00 O ATOM 1753 CB LYS C 7 2.730 8.301 10.355 1.00 0.00 C ATOM 1754 CG LYS C 7 3.125 8.108 11.822 1.00 0.00 C ATOM 1755 CD LYS C 7 4.558 7.589 12.013 1.00 0.00 C ATOM 1756 CE LYS C 7 4.954 7.641 13.491 1.00 0.00 C ATOM 1757 NZ LYS C 7 4.975 9.020 14.012 1.00 0.00 N ATOM 0 H LYS C 7 2.755 8.064 7.736 1.00 0.00 H new ATOM 0 HA LYS C 7 3.192 6.233 10.042 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.464 8.952 9.880 1.00 0.00 H new ATOM 0 HB3 LYS C 7 1.772 8.820 10.318 1.00 0.00 H new ATOM 0 HG2 LYS C 7 3.020 9.058 12.345 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.430 7.409 12.287 1.00 0.00 H new ATOM 0 HD2 LYS C 7 4.632 6.565 11.646 1.00 0.00 H new ATOM 0 HD3 LYS C 7 5.250 8.190 11.423 1.00 0.00 H new ATOM 0 HE2 LYS C 7 4.253 7.044 14.075 1.00 0.00 H new ATOM 0 HE3 LYS C 7 5.939 7.191 13.618 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 5.568 9.060 14.865 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.365 9.658 13.289 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 4.007 9.316 14.249 1.00 0.00 H new ATOM 1771 N VAL C 8 0.693 5.711 10.268 1.00 0.00 N ATOM 1772 CA VAL C 8 -0.710 5.338 10.300 1.00 0.00 C ATOM 1773 C VAL C 8 -1.529 6.621 10.432 1.00 0.00 C ATOM 1774 O VAL C 8 -1.463 7.296 11.459 1.00 0.00 O ATOM 1775 CB VAL C 8 -0.933 4.375 11.459 1.00 0.00 C ATOM 1776 CG1 VAL C 8 -2.410 4.225 11.777 1.00 0.00 C ATOM 1777 CG2 VAL C 8 -0.306 3.021 11.143 1.00 0.00 C ATOM 0 H VAL C 8 1.272 5.227 10.954 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.023 4.826 9.390 1.00 0.00 H new ATOM 0 HB VAL C 8 -0.449 4.788 12.344 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -2.535 3.531 12.608 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -2.824 5.196 12.049 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -2.933 3.840 10.902 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -0.471 2.340 11.978 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -0.763 2.609 10.243 1.00 0.00 H new ATOM 0 HG23 VAL C 8 0.765 3.145 10.982 1.00 0.00 H new ATOM 1787 N GLY C 9 -2.296 6.952 9.389 1.00 0.00 N ATOM 1788 CA GLY C 9 -3.047 8.199 9.342 1.00 0.00 C ATOM 1789 C GLY C 9 -2.670 9.074 8.142 1.00 0.00 C ATOM 1790 O GLY C 9 -3.140 10.207 8.049 1.00 0.00 O ATOM 0 H GLY C 9 -2.410 6.365 8.563 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -4.113 7.975 9.302 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -2.873 8.757 10.262 1.00 0.00 H new ATOM 1794 N GLU C 10 -1.833 8.573 7.226 1.00 0.00 N ATOM 1795 CA GLU C 10 -1.404 9.329 6.048 1.00 0.00 C ATOM 1796 C GLU C 10 -1.767 8.600 4.748 1.00 0.00 C ATOM 1797 O GLU C 10 -2.530 7.634 4.759 1.00 0.00 O ATOM 1798 CB GLU C 10 0.104 9.582 6.105 1.00 0.00 C ATOM 1799 CG GLU C 10 0.551 10.410 7.306 1.00 0.00 C ATOM 1800 CD GLU C 10 2.040 10.721 7.178 1.00 0.00 C ATOM 1801 OE1 GLU C 10 2.816 9.772 6.921 1.00 0.00 O ATOM 1802 OE2 GLU C 10 2.403 11.908 7.337 1.00 0.00 O ATOM 0 H GLU C 10 -1.436 7.635 7.282 1.00 0.00 H new ATOM 0 HA GLU C 10 -1.931 10.283 6.054 1.00 0.00 H new ATOM 0 HB2 GLU C 10 0.622 8.623 6.125 1.00 0.00 H new ATOM 0 HB3 GLU C 10 0.411 10.091 5.191 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -0.022 11.336 7.358 1.00 0.00 H new ATOM 0 HG3 GLU C 10 0.360 9.864 8.230 1.00 0.00 H new ATOM 1809 N SER C 11 -1.211 9.069 3.624 1.00 0.00 N ATOM 1810 CA SER C 11 -1.602 8.628 2.288 1.00 0.00 C ATOM 1811 C SER C 11 -0.450 8.770 1.284 1.00 0.00 C ATOM 1812 O SER C 11 0.563 9.401 1.571 1.00 0.00 O ATOM 1813 CB SER C 11 -2.783 9.477 1.803 1.00 0.00 C ATOM 1814 OG SER C 11 -3.886 9.337 2.674 1.00 0.00 O ATOM 0 H SER C 11 -0.471 9.771 3.621 1.00 0.00 H new ATOM 0 HA SER C 11 -1.877 7.575 2.350 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.487 10.525 1.748 1.00 0.00 H new ATOM 0 HB3 SER C 11 -3.067 9.173 0.796 1.00 0.00 H new ATOM 0 HG SER C 11 -4.630 9.887 2.351 1.00 0.00 H new ATOM 1820 N ILE C 12 -0.633 8.173 0.098 1.00 0.00 N ATOM 1821 CA ILE C 12 0.315 8.142 -1.014 1.00 0.00 C ATOM 1822 C ILE C 12 -0.491 8.185 -2.314 1.00 0.00 C ATOM 1823 O ILE C 12 -1.700 7.964 -2.294 1.00 0.00 O ATOM 1824 CB ILE C 12 1.178 6.865 -0.909 1.00 0.00 C ATOM 1825 CG1 ILE C 12 2.244 7.065 0.175 1.00 0.00 C ATOM 1826 CG2 ILE C 12 1.868 6.475 -2.214 1.00 0.00 C ATOM 1827 CD1 ILE C 12 3.078 5.806 0.439 1.00 0.00 C ATOM 0 H ILE C 12 -1.495 7.673 -0.119 1.00 0.00 H new ATOM 0 HA ILE C 12 0.992 8.996 -0.991 1.00 0.00 H new ATOM 0 HB ILE C 12 0.496 6.052 -0.659 1.00 0.00 H new ATOM 0 HG12 ILE C 12 2.907 7.877 -0.122 1.00 0.00 H new ATOM 0 HG13 ILE C 12 1.758 7.373 1.101 1.00 0.00 H new ATOM 0 HG21 ILE C 12 2.454 5.569 -2.059 1.00 0.00 H new ATOM 0 HG22 ILE C 12 1.117 6.294 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE C 12 2.526 7.283 -2.533 1.00 0.00 H new ATOM 0 HD11 ILE C 12 3.814 6.013 1.216 1.00 0.00 H new ATOM 0 HD12 ILE C 12 2.423 4.998 0.766 1.00 0.00 H new ATOM 0 HD13 ILE C 12 3.590 5.510 -0.477 1.00 0.00 H new ATOM 1839 N ASN C 13 0.160 8.467 -3.445 1.00 0.00 N ATOM 1840 CA ASN C 13 -0.504 8.564 -4.735 1.00 0.00 C ATOM 1841 C ASN C 13 0.278 7.827 -5.816 1.00 0.00 C ATOM 1842 O ASN C 13 1.499 7.677 -5.723 1.00 0.00 O ATOM 1843 CB ASN C 13 -0.650 10.036 -5.114 1.00 0.00 C ATOM 1844 CG ASN C 13 -1.795 10.681 -4.352 1.00 0.00 C ATOM 1845 OD1 ASN C 13 -1.584 11.372 -3.359 1.00 0.00 O ATOM 1846 ND2 ASN C 13 -3.022 10.455 -4.811 1.00 0.00 N ATOM 0 H ASN C 13 1.165 8.634 -3.486 1.00 0.00 H new ATOM 0 HA ASN C 13 -1.487 8.099 -4.656 1.00 0.00 H new ATOM 0 HB2 ASN C 13 0.279 10.565 -4.899 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -0.826 10.124 -6.186 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -3.827 10.861 -4.335 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -3.158 9.875 -5.639 1.00 0.00 H new ATOM 1853 N ILE C 14 -0.443 7.376 -6.844 1.00 0.00 N ATOM 1854 CA ILE C 14 0.115 6.655 -7.979 1.00 0.00 C ATOM 1855 C ILE C 14 -0.643 7.077 -9.235 1.00 0.00 C ATOM 1856 O ILE C 14 -1.851 7.315 -9.184 1.00 0.00 O ATOM 1857 CB ILE C 14 -0.008 5.136 -7.751 1.00 0.00 C ATOM 1858 CG1 ILE C 14 0.698 4.735 -6.445 1.00 0.00 C ATOM 1859 CG2 ILE C 14 0.592 4.377 -8.939 1.00 0.00 C ATOM 1860 CD1 ILE C 14 0.606 3.233 -6.166 1.00 0.00 C ATOM 0 H ILE C 14 -1.453 7.507 -6.908 1.00 0.00 H new ATOM 0 HA ILE C 14 1.173 6.891 -8.095 1.00 0.00 H new ATOM 0 HB ILE C 14 -1.063 4.876 -7.667 1.00 0.00 H new ATOM 0 HG12 ILE C 14 1.747 5.028 -6.498 1.00 0.00 H new ATOM 0 HG13 ILE C 14 0.256 5.283 -5.613 1.00 0.00 H new ATOM 0 HG21 ILE C 14 0.501 3.304 -8.769 1.00 0.00 H new ATOM 0 HG22 ILE C 14 0.058 4.647 -9.850 1.00 0.00 H new ATOM 0 HG23 ILE C 14 1.645 4.639 -9.044 1.00 0.00 H new ATOM 0 HD11 ILE C 14 1.120 3.004 -5.233 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.441 2.942 -6.084 1.00 0.00 H new ATOM 0 HD13 ILE C 14 1.073 2.682 -6.982 1.00 0.00 H new ATOM 1872 N GLY C 15 0.067 7.172 -10.365 1.00 0.00 N ATOM 1873 CA GLY C 15 -0.523 7.618 -11.614 1.00 0.00 C ATOM 1874 C GLY C 15 -1.166 8.993 -11.426 1.00 0.00 C ATOM 1875 O GLY C 15 -0.604 9.866 -10.770 1.00 0.00 O ATOM 0 H GLY C 15 1.059 6.942 -10.431 1.00 0.00 H new ATOM 0 HA2 GLY C 15 0.241 7.668 -12.390 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -1.271 6.900 -11.949 1.00 0.00 H new ATOM 1879 N ASP C 16 -2.351 9.167 -12.013 1.00 0.00 N ATOM 1880 CA ASP C 16 -3.128 10.393 -11.908 1.00 0.00 C ATOM 1881 C ASP C 16 -4.573 10.067 -11.513 1.00 0.00 C ATOM 1882 O ASP C 16 -5.441 10.938 -11.556 1.00 0.00 O ATOM 1883 CB ASP C 16 -3.072 11.157 -13.231 1.00 0.00 C ATOM 1884 CG ASP C 16 -1.645 11.562 -13.589 1.00 0.00 C ATOM 1885 OD1 ASP C 16 -1.200 12.617 -13.082 1.00 0.00 O ATOM 1886 OD2 ASP C 16 -1.010 10.818 -14.368 1.00 0.00 O ATOM 0 H ASP C 16 -2.800 8.448 -12.581 1.00 0.00 H new ATOM 0 HA ASP C 16 -2.703 11.028 -11.131 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -3.485 10.537 -14.027 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -3.697 12.047 -13.164 1.00 0.00 H new ATOM 1891 N ASP C 17 -4.827 8.810 -11.136 1.00 0.00 N ATOM 1892 CA ASP C 17 -6.163 8.329 -10.827 1.00 0.00 C ATOM 1893 C ASP C 17 -6.166 7.360 -9.641 1.00 0.00 C ATOM 1894 O ASP C 17 -7.195 6.737 -9.385 1.00 0.00 O ATOM 1895 CB ASP C 17 -6.757 7.640 -12.063 1.00 0.00 C ATOM 1896 CG ASP C 17 -6.891 8.600 -13.244 1.00 0.00 C ATOM 1897 OD1 ASP C 17 -7.890 9.355 -13.258 1.00 0.00 O ATOM 1898 OD2 ASP C 17 -5.997 8.578 -14.121 1.00 0.00 O ATOM 0 H ASP C 17 -4.102 8.099 -11.038 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.771 9.190 -10.548 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -6.124 6.800 -12.349 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -7.737 7.232 -11.815 1.00 0.00 H new ATOM 1903 N ILE C 18 -5.049 7.215 -8.913 1.00 0.00 N ATOM 1904 CA ILE C 18 -5.003 6.289 -7.787 1.00 0.00 C ATOM 1905 C ILE C 18 -4.430 6.968 -6.546 1.00 0.00 C ATOM 1906 O ILE C 18 -3.553 7.828 -6.639 1.00 0.00 O ATOM 1907 CB ILE C 18 -4.193 5.031 -8.151 1.00 0.00 C ATOM 1908 CG1 ILE C 18 -4.768 4.301 -9.374 1.00 0.00 C ATOM 1909 CG2 ILE C 18 -4.201 4.053 -6.969 1.00 0.00 C ATOM 1910 CD1 ILE C 18 -4.127 4.786 -10.675 1.00 0.00 C ATOM 0 H ILE C 18 -4.181 7.722 -9.085 1.00 0.00 H new ATOM 0 HA ILE C 18 -6.023 5.981 -7.558 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.181 5.361 -8.386 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -4.607 3.228 -9.267 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -5.846 4.458 -9.418 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -3.627 3.163 -7.229 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.754 4.532 -6.098 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -5.228 3.768 -6.739 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -4.560 4.246 -11.517 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.311 5.854 -10.795 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -3.053 4.604 -10.641 1.00 0.00 H new ATOM 1922 N THR C 19 -4.943 6.558 -5.383 1.00 0.00 N ATOM 1923 CA THR C 19 -4.497 7.034 -4.080 1.00 0.00 C ATOM 1924 C THR C 19 -4.433 5.837 -3.136 1.00 0.00 C ATOM 1925 O THR C 19 -5.146 4.854 -3.335 1.00 0.00 O ATOM 1926 CB THR C 19 -5.470 8.097 -3.553 1.00 0.00 C ATOM 1927 OG1 THR C 19 -5.648 9.113 -4.515 1.00 0.00 O ATOM 1928 CG2 THR C 19 -4.973 8.743 -2.266 1.00 0.00 C ATOM 0 H THR C 19 -5.695 5.872 -5.325 1.00 0.00 H new ATOM 0 HA THR C 19 -3.511 7.493 -4.155 1.00 0.00 H new ATOM 0 HB THR C 19 -6.412 7.587 -3.349 1.00 0.00 H new ATOM 0 HG1 THR C 19 -6.272 9.785 -4.169 1.00 0.00 H new ATOM 0 HG21 THR C 19 -5.694 9.488 -1.931 1.00 0.00 H new ATOM 0 HG22 THR C 19 -4.857 7.979 -1.497 1.00 0.00 H new ATOM 0 HG23 THR C 19 -4.012 9.224 -2.448 1.00 0.00 H new ATOM 1936 N ILE C 20 -3.578 5.919 -2.116 1.00 0.00 N ATOM 1937 CA ILE C 20 -3.331 4.842 -1.168 1.00 0.00 C ATOM 1938 C ILE C 20 -3.359 5.431 0.241 1.00 0.00 C ATOM 1939 O ILE C 20 -3.009 6.598 0.422 1.00 0.00 O ATOM 1940 CB ILE C 20 -1.951 4.219 -1.454 1.00 0.00 C ATOM 1941 CG1 ILE C 20 -1.744 3.844 -2.927 1.00 0.00 C ATOM 1942 CG2 ILE C 20 -1.729 2.982 -0.575 1.00 0.00 C ATOM 1943 CD1 ILE C 20 -2.637 2.692 -3.382 1.00 0.00 C ATOM 0 H ILE C 20 -3.028 6.756 -1.925 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.092 4.067 -1.260 1.00 0.00 H new ATOM 0 HB ILE C 20 -1.218 4.989 -1.214 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -1.941 4.717 -3.549 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -0.700 3.571 -3.083 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -0.750 2.554 -0.790 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.777 3.269 0.476 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.502 2.243 -0.785 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -2.443 2.474 -4.432 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -2.423 1.807 -2.783 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.683 2.971 -3.256 1.00 0.00 H new ATOM 1955 N THR C 21 -3.769 4.641 1.231 1.00 0.00 N ATOM 1956 CA THR C 21 -3.895 5.106 2.608 1.00 0.00 C ATOM 1957 C THR C 21 -3.369 4.043 3.567 1.00 0.00 C ATOM 1958 O THR C 21 -3.359 2.856 3.234 1.00 0.00 O ATOM 1959 CB THR C 21 -5.372 5.404 2.899 1.00 0.00 C ATOM 1960 OG1 THR C 21 -5.927 6.171 1.850 1.00 0.00 O ATOM 1961 CG2 THR C 21 -5.554 6.185 4.199 1.00 0.00 C ATOM 0 H THR C 21 -4.023 3.662 1.100 1.00 0.00 H new ATOM 0 HA THR C 21 -3.308 6.014 2.747 1.00 0.00 H new ATOM 0 HB THR C 21 -5.876 4.442 2.990 1.00 0.00 H new ATOM 0 HG1 THR C 21 -6.870 6.355 2.043 1.00 0.00 H new ATOM 0 HG21 THR C 21 -6.615 6.374 4.365 1.00 0.00 H new ATOM 0 HG22 THR C 21 -5.154 5.605 5.031 1.00 0.00 H new ATOM 0 HG23 THR C 21 -5.023 7.134 4.130 1.00 0.00 H new ATOM 1969 N ILE C 22 -2.930 4.461 4.754 1.00 0.00 N ATOM 1970 CA ILE C 22 -2.426 3.565 5.789 1.00 0.00 C ATOM 1971 C ILE C 22 -3.358 3.627 7.000 1.00 0.00 C ATOM 1972 O ILE C 22 -3.183 4.439 7.908 1.00 0.00 O ATOM 1973 CB ILE C 22 -0.953 3.867 6.106 1.00 0.00 C ATOM 1974 CG1 ILE C 22 -0.400 3.025 7.251 1.00 0.00 C ATOM 1975 CG2 ILE C 22 -0.719 5.340 6.443 1.00 0.00 C ATOM 1976 CD1 ILE C 22 -0.537 1.532 6.968 1.00 0.00 C ATOM 0 H ILE C 22 -2.915 5.444 5.025 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.430 2.533 5.439 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.422 3.610 5.189 1.00 0.00 H new ATOM 0 HG12 ILE C 22 0.650 3.271 7.410 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -0.928 3.271 8.172 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.337 5.500 6.659 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -1.014 5.958 5.595 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -1.313 5.613 7.315 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -0.132 0.964 7.806 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -1.590 1.282 6.835 1.00 0.00 H new ATOM 0 HD13 ILE C 22 0.013 1.282 6.061 1.00 0.00 H new ATOM 1988 N LEU C 23 -4.366 2.752 7.002 1.00 0.00 N ATOM 1989 CA LEU C 23 -5.413 2.763 8.008 1.00 0.00 C ATOM 1990 C LEU C 23 -4.896 2.321 9.376 1.00 0.00 C ATOM 1991 O LEU C 23 -5.490 2.686 10.390 1.00 0.00 O ATOM 1992 CB LEU C 23 -6.550 1.835 7.573 1.00 0.00 C ATOM 1993 CG LEU C 23 -6.964 2.036 6.110 1.00 0.00 C ATOM 1994 CD1 LEU C 23 -8.091 1.072 5.773 1.00 0.00 C ATOM 1995 CD2 LEU C 23 -7.442 3.458 5.850 1.00 0.00 C ATOM 0 H LEU C 23 -4.473 2.018 6.302 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.772 3.788 8.101 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.242 0.800 7.718 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.414 2.003 8.215 1.00 0.00 H new ATOM 0 HG LEU C 23 -6.091 1.848 5.485 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -8.390 1.210 4.734 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.749 0.047 5.919 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -8.943 1.266 6.424 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.726 3.561 4.803 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.303 3.674 6.483 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -6.639 4.159 6.078 1.00 0.00 H new ATOM 2007 N GLY C 24 -3.804 1.548 9.422 1.00 0.00 N ATOM 2008 CA GLY C 24 -3.228 1.137 10.692 1.00 0.00 C ATOM 2009 C GLY C 24 -2.448 -0.168 10.605 1.00 0.00 C ATOM 2010 O GLY C 24 -2.249 -0.709 9.520 1.00 0.00 O ATOM 0 H GLY C 24 -3.311 1.201 8.599 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -2.567 1.924 11.055 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -4.026 1.027 11.426 1.00 0.00 H new ATOM 2014 N VAL C 25 -2.012 -0.665 11.763 1.00 0.00 N ATOM 2015 CA VAL C 25 -1.330 -1.952 11.865 1.00 0.00 C ATOM 2016 C VAL C 25 -1.956 -2.769 12.989 1.00 0.00 C ATOM 2017 O VAL C 25 -2.610 -2.223 13.875 1.00 0.00 O ATOM 2018 CB VAL C 25 0.182 -1.774 12.079 1.00 0.00 C ATOM 2019 CG1 VAL C 25 0.759 -0.764 11.081 1.00 0.00 C ATOM 2020 CG2 VAL C 25 0.491 -1.312 13.503 1.00 0.00 C ATOM 0 H VAL C 25 -2.123 -0.185 12.656 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.453 -2.489 10.925 1.00 0.00 H new ATOM 0 HB VAL C 25 0.648 -2.746 11.917 1.00 0.00 H new ATOM 0 HG11 VAL C 25 1.830 -0.655 11.252 1.00 0.00 H new ATOM 0 HG12 VAL C 25 0.588 -1.119 10.065 1.00 0.00 H new ATOM 0 HG13 VAL C 25 0.270 0.201 11.216 1.00 0.00 H new ATOM 0 HG21 VAL C 25 1.568 -1.196 13.622 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -0.000 -0.357 13.690 1.00 0.00 H new ATOM 0 HG23 VAL C 25 0.126 -2.054 14.213 1.00 0.00 H new ATOM 2030 N SER C 26 -1.747 -4.086 12.941 1.00 0.00 N ATOM 2031 CA SER C 26 -2.291 -5.023 13.916 1.00 0.00 C ATOM 2032 C SER C 26 -1.290 -6.156 14.074 1.00 0.00 C ATOM 2033 O SER C 26 -1.420 -7.204 13.444 1.00 0.00 O ATOM 2034 CB SER C 26 -3.650 -5.552 13.451 1.00 0.00 C ATOM 2035 OG SER C 26 -4.581 -4.493 13.333 1.00 0.00 O ATOM 0 H SER C 26 -1.188 -4.533 12.214 1.00 0.00 H new ATOM 0 HA SER C 26 -2.450 -4.529 14.874 1.00 0.00 H new ATOM 0 HB2 SER C 26 -3.541 -6.057 12.491 1.00 0.00 H new ATOM 0 HB3 SER C 26 -4.021 -6.292 14.160 1.00 0.00 H new ATOM 0 HG SER C 26 -5.444 -4.848 13.033 1.00 0.00 H new ATOM 2041 N GLY C 27 -0.280 -5.947 14.919 1.00 0.00 N ATOM 2042 CA GLY C 27 0.827 -6.873 15.012 1.00 0.00 C ATOM 2043 C GLY C 27 1.721 -6.642 13.803 1.00 0.00 C ATOM 2044 O GLY C 27 2.270 -5.552 13.632 1.00 0.00 O ATOM 0 H GLY C 27 -0.214 -5.144 15.544 1.00 0.00 H new ATOM 0 HA2 GLY C 27 1.383 -6.714 15.936 1.00 0.00 H new ATOM 0 HA3 GLY C 27 0.466 -7.901 15.031 1.00 0.00 H new ATOM 2048 N GLN C 28 1.870 -7.667 12.966 1.00 0.00 N ATOM 2049 CA GLN C 28 2.669 -7.567 11.752 1.00 0.00 C ATOM 2050 C GLN C 28 1.757 -7.345 10.556 1.00 0.00 C ATOM 2051 O GLN C 28 2.234 -7.243 9.430 1.00 0.00 O ATOM 2052 CB GLN C 28 3.524 -8.825 11.596 1.00 0.00 C ATOM 2053 CG GLN C 28 4.879 -8.634 12.285 1.00 0.00 C ATOM 2054 CD GLN C 28 4.737 -7.964 13.648 1.00 0.00 C ATOM 2055 OE1 GLN C 28 4.425 -8.612 14.642 1.00 0.00 O ATOM 2056 NE2 GLN C 28 4.960 -6.651 13.697 1.00 0.00 N ATOM 0 H GLN C 28 1.443 -8.582 13.111 1.00 0.00 H new ATOM 0 HA GLN C 28 3.344 -6.713 11.815 1.00 0.00 H new ATOM 0 HB2 GLN C 28 3.006 -9.681 12.028 1.00 0.00 H new ATOM 0 HB3 GLN C 28 3.673 -9.043 10.539 1.00 0.00 H new ATOM 0 HG2 GLN C 28 5.364 -9.603 12.406 1.00 0.00 H new ATOM 0 HG3 GLN C 28 5.527 -8.030 11.650 1.00 0.00 H new ATOM 0 HE21 GLN C 28 5.218 -6.145 12.849 1.00 0.00 H new ATOM 0 HE22 GLN C 28 4.873 -6.152 14.582 1.00 0.00 H new ATOM 2065 N GLN C 29 0.444 -7.271 10.793 1.00 0.00 N ATOM 2066 CA GLN C 29 -0.489 -6.908 9.746 1.00 0.00 C ATOM 2067 C GLN C 29 -0.471 -5.402 9.548 1.00 0.00 C ATOM 2068 O GLN C 29 -0.040 -4.648 10.420 1.00 0.00 O ATOM 2069 CB GLN C 29 -1.912 -7.301 10.119 1.00 0.00 C ATOM 2070 CG GLN C 29 -2.167 -8.792 9.952 1.00 0.00 C ATOM 2071 CD GLN C 29 -3.660 -9.043 10.048 1.00 0.00 C ATOM 2072 OE1 GLN C 29 -4.314 -9.314 9.043 1.00 0.00 O ATOM 2073 NE2 GLN C 29 -4.212 -8.955 11.254 1.00 0.00 N ATOM 0 H GLN C 29 0.014 -7.458 11.699 1.00 0.00 H new ATOM 0 HA GLN C 29 -0.187 -7.431 8.839 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -2.105 -7.016 11.153 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -2.614 -6.744 9.499 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -1.787 -9.135 8.990 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -1.639 -9.354 10.722 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -3.635 -8.728 12.064 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -5.213 -9.115 11.370 1.00 0.00 H new ATOM 2082 N VAL C 30 -0.952 -4.977 8.384 1.00 0.00 N ATOM 2083 CA VAL C 30 -1.091 -3.577 8.043 1.00 0.00 C ATOM 2084 C VAL C 30 -2.401 -3.411 7.289 1.00 0.00 C ATOM 2085 O VAL C 30 -2.572 -4.006 6.226 1.00 0.00 O ATOM 2086 CB VAL C 30 0.092 -3.143 7.173 1.00 0.00 C ATOM 2087 CG1 VAL C 30 0.000 -1.643 6.906 1.00 0.00 C ATOM 2088 CG2 VAL C 30 1.423 -3.423 7.865 1.00 0.00 C ATOM 0 H VAL C 30 -1.259 -5.609 7.645 1.00 0.00 H new ATOM 0 HA VAL C 30 -1.099 -2.956 8.939 1.00 0.00 H new ATOM 0 HB VAL C 30 0.049 -3.710 6.243 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.841 -1.331 6.287 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.933 -1.422 6.388 1.00 0.00 H new ATOM 0 HG13 VAL C 30 0.026 -1.103 7.852 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.242 -3.103 7.221 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.466 -2.875 8.806 1.00 0.00 H new ATOM 0 HG23 VAL C 30 1.513 -4.491 8.063 1.00 0.00 H new ATOM 2098 N ARG C 31 -3.326 -2.612 7.826 1.00 0.00 N ATOM 2099 CA ARG C 31 -4.525 -2.254 7.090 1.00 0.00 C ATOM 2100 C ARG C 31 -4.153 -1.141 6.133 1.00 0.00 C ATOM 2101 O ARG C 31 -3.781 -0.043 6.561 1.00 0.00 O ATOM 2102 CB ARG C 31 -5.646 -1.772 8.009 1.00 0.00 C ATOM 2103 CG ARG C 31 -6.388 -2.936 8.651 1.00 0.00 C ATOM 2104 CD ARG C 31 -7.810 -2.497 9.017 1.00 0.00 C ATOM 2105 NE ARG C 31 -7.823 -1.384 9.976 1.00 0.00 N ATOM 2106 CZ ARG C 31 -8.929 -0.707 10.301 1.00 0.00 C ATOM 2107 NH1 ARG C 31 -10.106 -1.027 9.769 1.00 0.00 N ATOM 2108 NH2 ARG C 31 -8.857 0.300 11.164 1.00 0.00 N ATOM 0 H ARG C 31 -3.263 -2.207 8.760 1.00 0.00 H new ATOM 0 HA ARG C 31 -4.895 -3.136 6.567 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -5.229 -1.133 8.787 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.348 -1.163 7.439 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -6.423 -3.782 7.964 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -5.859 -3.271 9.543 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -8.340 -2.200 8.112 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -8.351 -3.344 9.440 1.00 0.00 H new ATOM 0 HE ARG C 31 -6.943 -1.114 10.416 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -10.173 -1.798 9.104 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -10.942 -0.502 10.026 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -7.960 0.555 11.577 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -9.699 0.819 11.414 1.00 0.00 H new ATOM 2122 N ILE C 32 -4.265 -1.441 4.840 1.00 0.00 N ATOM 2123 CA ILE C 32 -3.959 -0.512 3.769 1.00 0.00 C ATOM 2124 C ILE C 32 -5.255 -0.254 3.015 1.00 0.00 C ATOM 2125 O ILE C 32 -6.056 -1.169 2.835 1.00 0.00 O ATOM 2126 CB ILE C 32 -2.905 -1.118 2.834 1.00 0.00 C ATOM 2127 CG1 ILE C 32 -1.759 -1.753 3.639 1.00 0.00 C ATOM 2128 CG2 ILE C 32 -2.393 -0.034 1.880 1.00 0.00 C ATOM 2129 CD1 ILE C 32 -0.632 -2.280 2.751 1.00 0.00 C ATOM 0 H ILE C 32 -4.577 -2.354 4.508 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.555 0.420 4.164 1.00 0.00 H new ATOM 0 HB ILE C 32 -3.358 -1.915 2.244 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -1.355 -1.014 4.331 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -2.154 -2.571 4.241 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -1.643 -0.460 1.213 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.224 0.354 1.291 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -1.947 0.777 2.456 1.00 0.00 H new ATOM 0 HD11 ILE C 32 0.148 -2.717 3.374 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -1.026 -3.040 2.076 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -0.214 -1.459 2.168 1.00 0.00 H new ATOM 2141 N GLY C 33 -5.465 0.984 2.581 1.00 0.00 N ATOM 2142 CA GLY C 33 -6.649 1.361 1.835 1.00 0.00 C ATOM 2143 C GLY C 33 -6.225 1.836 0.455 1.00 0.00 C ATOM 2144 O GLY C 33 -5.132 2.373 0.294 1.00 0.00 O ATOM 0 H GLY C 33 -4.814 1.753 2.740 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -7.328 0.513 1.750 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -7.189 2.151 2.357 1.00 0.00 H new ATOM 2148 N ILE C 34 -7.087 1.636 -0.544 1.00 0.00 N ATOM 2149 CA ILE C 34 -6.794 2.057 -1.900 1.00 0.00 C ATOM 2150 C ILE C 34 -8.026 2.743 -2.469 1.00 0.00 C ATOM 2151 O ILE C 34 -9.152 2.360 -2.154 1.00 0.00 O ATOM 2152 CB ILE C 34 -6.376 0.845 -2.743 1.00 0.00 C ATOM 2153 CG1 ILE C 34 -5.143 0.188 -2.106 1.00 0.00 C ATOM 2154 CG2 ILE C 34 -6.087 1.294 -4.180 1.00 0.00 C ATOM 2155 CD1 ILE C 34 -4.696 -1.074 -2.837 1.00 0.00 C ATOM 0 H ILE C 34 -7.994 1.183 -0.431 1.00 0.00 H new ATOM 0 HA ILE C 34 -5.964 2.763 -1.913 1.00 0.00 H new ATOM 0 HB ILE C 34 -7.182 0.111 -2.773 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -4.322 0.905 -2.094 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -5.365 -0.059 -1.068 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -5.790 0.432 -4.778 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -6.984 1.741 -4.609 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -5.281 2.028 -4.177 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -3.821 -1.492 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.504 -1.806 -2.826 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -4.444 -0.827 -3.868 1.00 0.00 H new ATOM 2167 N ASN C 35 -7.807 3.758 -3.303 1.00 0.00 N ATOM 2168 CA ASN C 35 -8.877 4.540 -3.879 1.00 0.00 C ATOM 2169 C ASN C 35 -8.580 4.763 -5.356 1.00 0.00 C ATOM 2170 O ASN C 35 -7.751 5.599 -5.719 1.00 0.00 O ATOM 2171 CB ASN C 35 -9.013 5.855 -3.108 1.00 0.00 C ATOM 2172 CG ASN C 35 -10.288 6.606 -3.468 1.00 0.00 C ATOM 2173 OD1 ASN C 35 -11.012 6.229 -4.384 1.00 0.00 O ATOM 2174 ND2 ASN C 35 -10.568 7.687 -2.741 1.00 0.00 N ATOM 0 H ASN C 35 -6.875 4.055 -3.594 1.00 0.00 H new ATOM 0 HA ASN C 35 -9.830 4.017 -3.803 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -9.005 5.649 -2.038 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.150 6.487 -3.317 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.408 8.231 -2.939 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -9.942 7.970 -1.987 1.00 0.00 H new ATOM 2181 N ALA C 36 -9.271 3.996 -6.196 1.00 0.00 N ATOM 2182 CA ALA C 36 -9.115 4.046 -7.637 1.00 0.00 C ATOM 2183 C ALA C 36 -10.477 3.816 -8.285 1.00 0.00 C ATOM 2184 O ALA C 36 -11.346 3.193 -7.675 1.00 0.00 O ATOM 2185 CB ALA C 36 -8.126 2.950 -8.046 1.00 0.00 C ATOM 0 H ALA C 36 -9.963 3.315 -5.885 1.00 0.00 H new ATOM 0 HA ALA C 36 -8.734 5.014 -7.962 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -7.991 2.967 -9.128 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -7.167 3.125 -7.558 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -8.515 1.978 -7.744 1.00 0.00 H new ATOM 2191 N PRO C 37 -10.683 4.307 -9.514 1.00 0.00 N ATOM 2192 CA PRO C 37 -11.911 4.086 -10.251 1.00 0.00 C ATOM 2193 C PRO C 37 -11.997 2.628 -10.683 1.00 0.00 C ATOM 2194 O PRO C 37 -10.974 1.974 -10.874 1.00 0.00 O ATOM 2195 CB PRO C 37 -11.825 5.018 -11.461 1.00 0.00 C ATOM 2196 CG PRO C 37 -10.321 5.172 -11.689 1.00 0.00 C ATOM 2197 CD PRO C 37 -9.748 5.111 -10.276 1.00 0.00 C ATOM 0 HA PRO C 37 -12.801 4.291 -9.656 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -12.321 4.591 -12.332 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -12.301 5.978 -11.262 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -9.925 4.375 -12.319 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -10.082 6.115 -12.180 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -8.754 4.664 -10.275 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -9.649 6.109 -9.849 1.00 0.00 H new ATOM 2205 N LYS C 38 -13.219 2.110 -10.843 1.00 0.00 N ATOM 2206 CA LYS C 38 -13.417 0.754 -11.346 1.00 0.00 C ATOM 2207 C LYS C 38 -12.939 0.644 -12.795 1.00 0.00 C ATOM 2208 O LYS C 38 -12.975 -0.436 -13.381 1.00 0.00 O ATOM 2209 CB LYS C 38 -14.892 0.357 -11.202 1.00 0.00 C ATOM 2210 CG LYS C 38 -15.318 0.285 -9.727 1.00 0.00 C ATOM 2211 CD LYS C 38 -14.622 -0.854 -8.973 1.00 0.00 C ATOM 2212 CE LYS C 38 -14.980 -2.229 -9.537 1.00 0.00 C ATOM 2213 NZ LYS C 38 -16.434 -2.472 -9.469 1.00 0.00 N ATOM 0 H LYS C 38 -14.082 2.611 -10.631 1.00 0.00 H new ATOM 0 HA LYS C 38 -12.821 0.059 -10.755 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -15.517 1.080 -11.727 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -15.057 -0.610 -11.676 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -15.090 1.233 -9.239 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -16.398 0.149 -9.670 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -13.542 -0.713 -9.023 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -14.900 -0.812 -7.920 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -14.645 -2.299 -10.572 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -14.453 -3.003 -8.978 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -16.627 -3.478 -9.648 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -16.785 -2.215 -8.525 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -16.916 -1.895 -10.187 1.00 0.00 H new ATOM 2227 N ASP C 39 -12.491 1.765 -13.373 1.00 0.00 N ATOM 2228 CA ASP C 39 -11.879 1.813 -14.688 1.00 0.00 C ATOM 2229 C ASP C 39 -10.518 1.111 -14.683 1.00 0.00 C ATOM 2230 O ASP C 39 -9.944 0.871 -15.741 1.00 0.00 O ATOM 2231 CB ASP C 39 -11.706 3.282 -15.079 1.00 0.00 C ATOM 2232 CG ASP C 39 -11.317 3.432 -16.550 1.00 0.00 C ATOM 2233 OD1 ASP C 39 -12.112 2.984 -17.406 1.00 0.00 O ATOM 2234 OD2 ASP C 39 -10.227 3.991 -16.806 1.00 0.00 O ATOM 0 H ASP C 39 -12.549 2.678 -12.923 1.00 0.00 H new ATOM 0 HA ASP C 39 -12.517 1.298 -15.407 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -12.635 3.821 -14.891 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -10.940 3.738 -14.451 1.00 0.00 H new ATOM 2239 N VAL C 40 -10.003 0.788 -13.493 1.00 0.00 N ATOM 2240 CA VAL C 40 -8.724 0.111 -13.329 1.00 0.00 C ATOM 2241 C VAL C 40 -8.853 -0.950 -12.239 1.00 0.00 C ATOM 2242 O VAL C 40 -9.776 -0.905 -11.423 1.00 0.00 O ATOM 2243 CB VAL C 40 -7.611 1.113 -12.986 1.00 0.00 C ATOM 2244 CG1 VAL C 40 -7.533 2.227 -14.030 1.00 0.00 C ATOM 2245 CG2 VAL C 40 -7.819 1.757 -11.618 1.00 0.00 C ATOM 0 H VAL C 40 -10.471 0.994 -12.610 1.00 0.00 H new ATOM 0 HA VAL C 40 -8.452 -0.370 -14.269 1.00 0.00 H new ATOM 0 HB VAL C 40 -6.683 0.542 -12.975 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -6.737 2.922 -13.762 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -7.323 1.795 -15.008 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -8.483 2.760 -14.065 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -7.008 2.458 -11.419 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -8.770 2.290 -11.607 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -7.828 0.984 -10.850 1.00 0.00 H new ATOM 2255 N ALA C 41 -7.930 -1.914 -12.223 1.00 0.00 N ATOM 2256 CA ALA C 41 -8.001 -3.040 -11.310 1.00 0.00 C ATOM 2257 C ALA C 41 -7.045 -2.872 -10.132 1.00 0.00 C ATOM 2258 O ALA C 41 -6.042 -2.166 -10.225 1.00 0.00 O ATOM 2259 CB ALA C 41 -7.656 -4.307 -12.098 1.00 0.00 C ATOM 0 H ALA C 41 -7.119 -1.930 -12.842 1.00 0.00 H new ATOM 0 HA ALA C 41 -9.007 -3.105 -10.895 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -7.702 -5.171 -11.435 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -8.370 -4.435 -12.911 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -6.650 -4.217 -12.509 1.00 0.00 H new ATOM 2265 N VAL C 42 -7.361 -3.531 -9.014 1.00 0.00 N ATOM 2266 CA VAL C 42 -6.498 -3.567 -7.835 1.00 0.00 C ATOM 2267 C VAL C 42 -6.780 -4.848 -7.061 1.00 0.00 C ATOM 2268 O VAL C 42 -7.936 -5.181 -6.812 1.00 0.00 O ATOM 2269 CB VAL C 42 -6.735 -2.316 -6.979 1.00 0.00 C ATOM 2270 CG1 VAL C 42 -8.220 -2.023 -6.752 1.00 0.00 C ATOM 2271 CG2 VAL C 42 -6.081 -2.439 -5.604 1.00 0.00 C ATOM 0 H VAL C 42 -8.228 -4.057 -8.903 1.00 0.00 H new ATOM 0 HA VAL C 42 -5.448 -3.566 -8.128 1.00 0.00 H new ATOM 0 HB VAL C 42 -6.286 -1.501 -7.547 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -8.325 -1.127 -6.140 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -8.711 -1.866 -7.712 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -8.684 -2.867 -6.241 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -6.272 -1.533 -5.028 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -6.498 -3.298 -5.078 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -5.006 -2.574 -5.723 1.00 0.00 H new ATOM 2281 N HIS C 43 -5.723 -5.572 -6.679 1.00 0.00 N ATOM 2282 CA HIS C 43 -5.860 -6.856 -6.006 1.00 0.00 C ATOM 2283 C HIS C 43 -4.619 -7.202 -5.195 1.00 0.00 C ATOM 2284 O HIS C 43 -3.582 -6.564 -5.347 1.00 0.00 O ATOM 2285 CB HIS C 43 -6.034 -7.964 -7.046 1.00 0.00 C ATOM 2286 CG HIS C 43 -7.137 -7.734 -8.041 1.00 0.00 C ATOM 2287 ND1 HIS C 43 -8.485 -8.019 -7.835 1.00 0.00 N ATOM 2288 CD2 HIS C 43 -6.963 -7.208 -9.287 1.00 0.00 C ATOM 2289 CE1 HIS C 43 -9.093 -7.661 -8.976 1.00 0.00 C ATOM 2290 NE2 HIS C 43 -8.207 -7.173 -9.863 1.00 0.00 N ATOM 0 H HIS C 43 -4.757 -5.282 -6.829 1.00 0.00 H new ATOM 0 HA HIS C 43 -6.723 -6.780 -5.345 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -5.096 -8.084 -7.588 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -6.224 -8.903 -6.526 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -8.916 -8.414 -6.999 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.033 -6.884 -9.731 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -10.154 -7.752 -9.158 1.00 0.00 H new ATOM 2298 N ARG C 44 -4.724 -8.219 -4.334 1.00 0.00 N ATOM 2299 CA ARG C 44 -3.559 -8.781 -3.666 1.00 0.00 C ATOM 2300 C ARG C 44 -2.717 -9.520 -4.703 1.00 0.00 C ATOM 2301 O ARG C 44 -3.195 -9.827 -5.791 1.00 0.00 O ATOM 2302 CB ARG C 44 -4.015 -9.735 -2.566 1.00 0.00 C ATOM 2303 CG ARG C 44 -4.545 -8.927 -1.381 1.00 0.00 C ATOM 2304 CD ARG C 44 -5.235 -9.841 -0.370 1.00 0.00 C ATOM 2305 NE ARG C 44 -6.527 -10.293 -0.897 1.00 0.00 N ATOM 2306 CZ ARG C 44 -6.980 -11.545 -0.868 1.00 0.00 C ATOM 2307 NH1 ARG C 44 -6.258 -12.540 -0.350 1.00 0.00 N ATOM 2308 NH2 ARG C 44 -8.179 -11.809 -1.368 1.00 0.00 N ATOM 0 H ARG C 44 -5.607 -8.666 -4.087 1.00 0.00 H new ATOM 0 HA ARG C 44 -2.961 -7.991 -3.211 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -4.792 -10.399 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -3.184 -10.365 -2.248 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -3.723 -8.398 -0.899 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -5.247 -8.172 -1.734 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -4.601 -10.701 -0.154 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -5.383 -9.310 0.570 1.00 0.00 H new ATOM 0 HE ARG C 44 -7.130 -9.588 -1.322 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -5.333 -12.351 0.037 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -6.631 -13.490 -0.341 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -8.741 -11.058 -1.768 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -8.539 -12.763 -1.353 1.00 0.00 H new ATOM 2322 N GLU C 45 -1.458 -9.804 -4.373 1.00 0.00 N ATOM 2323 CA GLU C 45 -0.544 -10.445 -5.308 1.00 0.00 C ATOM 2324 C GLU C 45 -1.000 -11.872 -5.643 1.00 0.00 C ATOM 2325 O GLU C 45 -0.653 -12.395 -6.702 1.00 0.00 O ATOM 2326 CB GLU C 45 0.867 -10.391 -4.713 1.00 0.00 C ATOM 2327 CG GLU C 45 1.948 -10.791 -5.720 1.00 0.00 C ATOM 2328 CD GLU C 45 2.194 -12.300 -5.784 1.00 0.00 C ATOM 2329 OE1 GLU C 45 1.687 -13.028 -4.901 1.00 0.00 O ATOM 2330 OE2 GLU C 45 2.898 -12.718 -6.729 1.00 0.00 O ATOM 0 H GLU C 45 -1.050 -9.598 -3.461 1.00 0.00 H new ATOM 0 HA GLU C 45 -0.539 -9.913 -6.259 1.00 0.00 H new ATOM 0 HB2 GLU C 45 1.067 -9.382 -4.353 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.918 -11.053 -3.849 1.00 0.00 H new ATOM 0 HG2 GLU C 45 1.661 -10.435 -6.710 1.00 0.00 H new ATOM 0 HG3 GLU C 45 2.880 -10.290 -5.459 1.00 0.00 H new ATOM 2337 N GLU C 46 -1.778 -12.507 -4.758 1.00 0.00 N ATOM 2338 CA GLU C 46 -2.339 -13.823 -5.028 1.00 0.00 C ATOM 2339 C GLU C 46 -3.474 -13.709 -6.038 1.00 0.00 C ATOM 2340 O GLU C 46 -3.536 -14.446 -7.021 1.00 0.00 O ATOM 2341 CB GLU C 46 -2.930 -14.393 -3.730 1.00 0.00 C ATOM 2342 CG GLU C 46 -3.513 -15.793 -3.934 1.00 0.00 C ATOM 2343 CD GLU C 46 -2.413 -16.827 -4.180 1.00 0.00 C ATOM 2344 OE1 GLU C 46 -1.751 -17.221 -3.193 1.00 0.00 O ATOM 2345 OE2 GLU C 46 -2.242 -17.223 -5.354 1.00 0.00 O ATOM 0 H GLU C 46 -2.030 -12.123 -3.847 1.00 0.00 H new ATOM 0 HA GLU C 46 -1.550 -14.467 -5.418 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -2.155 -14.431 -2.964 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -3.709 -13.725 -3.362 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -4.093 -16.079 -3.056 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -4.200 -15.783 -4.780 1.00 0.00 H new ATOM 2352 N ILE C 47 -4.379 -12.764 -5.777 1.00 0.00 N ATOM 2353 CA ILE C 47 -5.600 -12.602 -6.538 1.00 0.00 C ATOM 2354 C ILE C 47 -5.320 -11.984 -7.898 1.00 0.00 C ATOM 2355 O ILE C 47 -6.000 -12.305 -8.867 1.00 0.00 O ATOM 2356 CB ILE C 47 -6.556 -11.731 -5.716 1.00 0.00 C ATOM 2357 CG1 ILE C 47 -6.874 -12.375 -4.361 1.00 0.00 C ATOM 2358 CG2 ILE C 47 -7.855 -11.491 -6.478 1.00 0.00 C ATOM 2359 CD1 ILE C 47 -7.286 -13.846 -4.474 1.00 0.00 C ATOM 0 H ILE C 47 -4.275 -12.087 -5.021 1.00 0.00 H new ATOM 0 HA ILE C 47 -6.055 -13.574 -6.726 1.00 0.00 H new ATOM 0 HB ILE C 47 -6.057 -10.778 -5.541 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -5.999 -12.298 -3.715 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -7.676 -11.816 -3.879 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -8.520 -10.871 -5.877 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -7.637 -10.984 -7.418 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -8.338 -12.446 -6.684 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -7.497 -14.242 -3.481 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -8.179 -13.927 -5.094 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -6.476 -14.417 -4.927 1.00 0.00 H new ATOM 2371 N TYR C 48 -4.322 -11.104 -7.995 1.00 0.00 N ATOM 2372 CA TYR C 48 -3.992 -10.477 -9.262 1.00 0.00 C ATOM 2373 C TYR C 48 -3.698 -11.530 -10.331 1.00 0.00 C ATOM 2374 O TYR C 48 -4.149 -11.401 -11.466 1.00 0.00 O ATOM 2375 CB TYR C 48 -2.776 -9.571 -9.079 1.00 0.00 C ATOM 2376 CG TYR C 48 -2.176 -9.136 -10.396 1.00 0.00 C ATOM 2377 CD1 TYR C 48 -3.006 -8.703 -11.444 1.00 0.00 C ATOM 2378 CD2 TYR C 48 -0.789 -9.181 -10.572 1.00 0.00 C ATOM 2379 CE1 TYR C 48 -2.450 -8.354 -12.681 1.00 0.00 C ATOM 2380 CE2 TYR C 48 -0.222 -8.814 -11.797 1.00 0.00 C ATOM 2381 CZ TYR C 48 -1.054 -8.407 -12.859 1.00 0.00 C ATOM 2382 OH TYR C 48 -0.506 -8.059 -14.059 1.00 0.00 O ATOM 0 H TYR C 48 -3.735 -10.815 -7.212 1.00 0.00 H new ATOM 0 HA TYR C 48 -4.846 -9.885 -9.591 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -3.066 -8.690 -8.507 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -2.020 -10.096 -8.495 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -4.074 -8.639 -11.295 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -0.154 -9.500 -9.759 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -3.089 -8.045 -13.495 1.00 0.00 H new ATOM 0 HE2 TYR C 48 0.850 -8.842 -11.928 1.00 0.00 H new ATOM 0 HH TYR C 48 0.469 -8.151 -14.012 1.00 0.00 H new ATOM 2392 N GLN C 49 -2.948 -12.573 -9.973 1.00 0.00 N ATOM 2393 CA GLN C 49 -2.588 -13.615 -10.925 1.00 0.00 C ATOM 2394 C GLN C 49 -3.828 -14.387 -11.379 1.00 0.00 C ATOM 2395 O GLN C 49 -3.809 -15.026 -12.430 1.00 0.00 O ATOM 2396 CB GLN C 49 -1.593 -14.580 -10.278 1.00 0.00 C ATOM 2397 CG GLN C 49 -0.304 -13.868 -9.870 1.00 0.00 C ATOM 2398 CD GLN C 49 0.641 -14.826 -9.155 1.00 0.00 C ATOM 2399 OE1 GLN C 49 1.189 -15.745 -9.760 1.00 0.00 O ATOM 2400 NE2 GLN C 49 0.837 -14.622 -7.856 1.00 0.00 N ATOM 0 H GLN C 49 -2.581 -12.715 -9.032 1.00 0.00 H new ATOM 0 HA GLN C 49 -2.133 -13.145 -11.797 1.00 0.00 H new ATOM 0 HB2 GLN C 49 -2.049 -15.040 -9.401 1.00 0.00 H new ATOM 0 HB3 GLN C 49 -1.360 -15.385 -10.975 1.00 0.00 H new ATOM 0 HG2 GLN C 49 0.186 -13.459 -10.754 1.00 0.00 H new ATOM 0 HG3 GLN C 49 -0.539 -13.027 -9.217 1.00 0.00 H new ATOM 0 HE21 GLN C 49 0.366 -13.850 -7.384 1.00 0.00 H new ATOM 0 HE22 GLN C 49 1.458 -15.238 -7.331 1.00 0.00 H new ATOM 2409 N ARG C 50 -4.908 -14.331 -10.592 1.00 0.00 N ATOM 2410 CA ARG C 50 -6.126 -15.067 -10.891 1.00 0.00 C ATOM 2411 C ARG C 50 -7.015 -14.316 -11.876 1.00 0.00 C ATOM 2412 O ARG C 50 -7.633 -14.947 -12.731 1.00 0.00 O ATOM 2413 CB ARG C 50 -6.863 -15.344 -9.582 1.00 0.00 C ATOM 2414 CG ARG C 50 -8.063 -16.255 -9.839 1.00 0.00 C ATOM 2415 CD ARG C 50 -8.731 -16.602 -8.512 1.00 0.00 C ATOM 2416 NE ARG C 50 -7.890 -17.498 -7.706 1.00 0.00 N ATOM 2417 CZ ARG C 50 -7.950 -17.600 -6.374 1.00 0.00 C ATOM 2418 NH1 ARG C 50 -8.810 -16.869 -5.673 1.00 0.00 N ATOM 2419 NH2 ARG C 50 -7.141 -18.436 -5.733 1.00 0.00 N ATOM 0 H ARG C 50 -4.956 -13.776 -9.737 1.00 0.00 H new ATOM 0 HA ARG C 50 -5.863 -16.010 -11.371 1.00 0.00 H new ATOM 0 HB2 ARG C 50 -6.187 -15.813 -8.867 1.00 0.00 H new ATOM 0 HB3 ARG C 50 -7.197 -14.406 -9.138 1.00 0.00 H new ATOM 0 HG2 ARG C 50 -8.775 -15.759 -10.498 1.00 0.00 H new ATOM 0 HG3 ARG C 50 -7.741 -17.165 -10.345 1.00 0.00 H new ATOM 0 HD2 ARG C 50 -8.930 -15.688 -7.953 1.00 0.00 H new ATOM 0 HD3 ARG C 50 -9.694 -17.077 -8.701 1.00 0.00 H new ATOM 0 HE ARG C 50 -7.213 -18.083 -8.197 1.00 0.00 H new ATOM 0 HH11 ARG C 50 -9.435 -16.220 -6.150 1.00 0.00 H new ATOM 0 HH12 ARG C 50 -8.845 -16.957 -4.657 1.00 0.00 H new ATOM 0 HH21 ARG C 50 -6.473 -19.001 -6.257 1.00 0.00 H new ATOM 0 HH22 ARG C 50 -7.188 -18.513 -4.717 1.00 0.00 H new ATOM 2433 N ILE C 51 -7.089 -12.984 -11.781 1.00 0.00 N ATOM 2434 CA ILE C 51 -7.865 -12.208 -12.748 1.00 0.00 C ATOM 2435 C ILE C 51 -7.256 -12.384 -14.142 1.00 0.00 C ATOM 2436 O ILE C 51 -7.910 -12.123 -15.150 1.00 0.00 O ATOM 2437 CB ILE C 51 -7.956 -10.727 -12.330 1.00 0.00 C ATOM 2438 CG1 ILE C 51 -8.958 -10.530 -11.184 1.00 0.00 C ATOM 2439 CG2 ILE C 51 -8.465 -9.845 -13.472 1.00 0.00 C ATOM 2440 CD1 ILE C 51 -8.421 -11.029 -9.849 1.00 0.00 C ATOM 0 H ILE C 51 -6.629 -12.431 -11.058 1.00 0.00 H new ATOM 0 HA ILE C 51 -8.889 -12.580 -12.774 1.00 0.00 H new ATOM 0 HB ILE C 51 -6.945 -10.448 -12.034 1.00 0.00 H new ATOM 0 HG12 ILE C 51 -9.206 -9.472 -11.100 1.00 0.00 H new ATOM 0 HG13 ILE C 51 -9.883 -11.056 -11.420 1.00 0.00 H new ATOM 0 HG21 ILE C 51 -8.515 -8.809 -13.137 1.00 0.00 H new ATOM 0 HG22 ILE C 51 -7.785 -9.920 -14.320 1.00 0.00 H new ATOM 0 HG23 ILE C 51 -9.459 -10.177 -13.773 1.00 0.00 H new ATOM 0 HD11 ILE C 51 -9.168 -10.866 -9.072 1.00 0.00 H new ATOM 0 HD12 ILE C 51 -8.199 -12.094 -9.921 1.00 0.00 H new ATOM 0 HD13 ILE C 51 -7.511 -10.485 -9.597 1.00 0.00 H new