USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=18 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= -0.297 X(o=-0.3,f=-0.27) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 13 ASN : amide:sc= 0.0211 K(o=0.023,f=-1.5!) USER MOD Set 2.2: A 19 THR OG1 : rot 180:sc= 0.00207 USER MOD Set 3.1: A 11 SER OG : rot 180:sc= 0.0562 USER MOD Set 3.2: A 21 THR OG1 : rot -67:sc= 0.0578 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+ -163:sc= -0.0208 (180deg=-0.296) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0392 K(o=-0.039,f=-1.6) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 35 ASN : amide:sc= -0.0573 K(o=-0.057,f=-1.9) USER MOD Single : A 38 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.1) USER MOD Single : A 43 HIS : no HE2:sc= -1.21 K(o=-1.2,f=-2.3) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.681 K(o=0.68,f=-0.75) 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= -0.0371 (180deg=-0.282) USER MOD Single : C 11 SER OG : rot 180:sc=-0.00338 USER MOD Single : C 21 THR OG1 : rot 180:sc= 0 USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.185 K(o=-0.19,f=-1.6) USER MOD Single : C 29 GLN : amide:sc= 0 X(o=0,f=-0.0068) USER MOD Single : C 35 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.5!) USER MOD Single : C 38 LYS NZ :NH3+ -170:sc= -0.0133 (180deg=-0.16) USER MOD Single : C 43 HIS : no HE2:sc= -1.24 K(o=-1.2,f=-2.1) USER MOD Single : C 48 TYR OH : rot 6:sc= 1.08 USER MOD Single : C 49 GLN : amide:sc= 0.922 K(o=0.92,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.167 2.879 -1.808 1.00 0.00 N ATOM 2 CA MET A 1 -12.194 2.397 -0.804 1.00 0.00 C ATOM 3 C MET A 1 -12.147 0.879 -0.782 1.00 0.00 C ATOM 4 O MET A 1 -13.159 0.242 -0.522 1.00 0.00 O ATOM 5 CB MET A 1 -12.568 2.880 0.598 1.00 0.00 C ATOM 6 CG MET A 1 -11.610 2.302 1.639 1.00 0.00 C ATOM 7 SD MET A 1 -9.950 3.002 1.619 1.00 0.00 S ATOM 8 CE MET A 1 -10.288 4.395 2.718 1.00 0.00 C ATOM 0 H1 MET A 1 -13.182 3.919 -1.805 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.890 2.539 -2.751 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.114 2.518 -1.575 1.00 0.00 H new ATOM 0 HA MET A 1 -11.220 2.797 -1.086 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.538 3.969 0.633 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.590 2.581 0.831 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.040 2.453 2.629 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.536 1.226 1.484 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.379 4.982 2.852 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.064 5.023 2.281 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.625 4.022 3.685 1.00 0.00 H new ATOM 20 N LEU A 2 -10.976 0.302 -1.052 1.00 0.00 N ATOM 21 CA LEU A 2 -10.773 -1.134 -0.993 1.00 0.00 C ATOM 22 C LEU A 2 -9.652 -1.403 0.012 1.00 0.00 C ATOM 23 O LEU A 2 -8.477 -1.187 -0.286 1.00 0.00 O ATOM 24 CB LEU A 2 -10.466 -1.634 -2.409 1.00 0.00 C ATOM 25 CG LEU A 2 -10.461 -3.161 -2.588 1.00 0.00 C ATOM 26 CD1 LEU A 2 -9.024 -3.658 -2.629 1.00 0.00 C ATOM 27 CD2 LEU A 2 -11.189 -3.937 -1.490 1.00 0.00 C ATOM 0 H LEU A 2 -10.142 0.825 -1.318 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.655 -1.676 -0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.201 -1.208 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.491 -1.248 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 2 -10.997 -3.344 -3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.017 -4.741 -2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.501 -3.191 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.523 -3.399 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -11.133 -5.005 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.720 -3.732 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.234 -3.628 -1.458 1.00 0.00 H new ATOM 39 N ILE A 3 -10.029 -1.874 1.207 1.00 0.00 N ATOM 40 CA ILE A 3 -9.092 -2.231 2.260 1.00 0.00 C ATOM 41 C ILE A 3 -8.517 -3.610 1.969 1.00 0.00 C ATOM 42 O ILE A 3 -9.199 -4.466 1.405 1.00 0.00 O ATOM 43 CB ILE A 3 -9.771 -2.267 3.645 1.00 0.00 C ATOM 44 CG1 ILE A 3 -10.222 -0.887 4.126 1.00 0.00 C ATOM 45 CG2 ILE A 3 -8.750 -2.764 4.677 1.00 0.00 C ATOM 46 CD1 ILE A 3 -11.602 -0.510 3.603 1.00 0.00 C ATOM 0 H ILE A 3 -11.005 -2.017 1.465 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.309 -1.473 2.280 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.643 -2.914 3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.233 -0.871 5.216 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.498 -0.139 3.804 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.215 -2.795 5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.413 -3.764 4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.896 -2.087 4.700 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.874 0.478 3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.587 -0.497 2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.334 -1.241 3.947 1.00 0.00 H new ATOM 58 N LEU A 4 -7.261 -3.817 2.359 1.00 0.00 N ATOM 59 CA LEU A 4 -6.598 -5.103 2.322 1.00 0.00 C ATOM 60 C LEU A 4 -5.736 -5.216 3.572 1.00 0.00 C ATOM 61 O LEU A 4 -5.344 -4.197 4.143 1.00 0.00 O ATOM 62 CB LEU A 4 -5.723 -5.196 1.068 1.00 0.00 C ATOM 63 CG LEU A 4 -6.535 -5.161 -0.233 1.00 0.00 C ATOM 64 CD1 LEU A 4 -5.583 -5.074 -1.422 1.00 0.00 C ATOM 65 CD2 LEU A 4 -7.401 -6.411 -0.378 1.00 0.00 C ATOM 0 H LEU A 4 -6.667 -3.070 2.718 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.327 -5.912 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.010 -4.372 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.144 -6.119 1.104 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.188 -4.288 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.158 -5.049 -2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.984 -4.167 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.926 -5.944 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.965 -6.357 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.764 -7.295 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.093 -6.474 0.462 1.00 0.00 H new ATOM 77 N THR A 5 -5.438 -6.444 4.000 1.00 0.00 N ATOM 78 CA THR A 5 -4.542 -6.667 5.124 1.00 0.00 C ATOM 79 C THR A 5 -3.314 -7.393 4.609 1.00 0.00 C ATOM 80 O THR A 5 -3.422 -8.274 3.755 1.00 0.00 O ATOM 81 CB THR A 5 -5.213 -7.469 6.242 1.00 0.00 C ATOM 82 OG1 THR A 5 -5.781 -8.653 5.731 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.312 -6.651 6.908 1.00 0.00 C ATOM 0 H THR A 5 -5.807 -7.297 3.581 1.00 0.00 H new ATOM 0 HA THR A 5 -4.265 -5.706 5.556 1.00 0.00 H new ATOM 0 HB THR A 5 -4.445 -7.716 6.976 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.204 -9.154 6.459 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.775 -7.240 7.699 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.883 -5.744 7.335 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.065 -6.382 6.167 1.00 0.00 H new ATOM 91 N ARG A 6 -2.146 -7.020 5.133 1.00 0.00 N ATOM 92 CA ARG A 6 -0.896 -7.591 4.662 1.00 0.00 C ATOM 93 C ARG A 6 0.110 -7.717 5.804 1.00 0.00 C ATOM 94 O ARG A 6 0.359 -6.740 6.505 1.00 0.00 O ATOM 95 CB ARG A 6 -0.371 -6.644 3.574 1.00 0.00 C ATOM 96 CG ARG A 6 0.636 -7.281 2.622 1.00 0.00 C ATOM 97 CD ARG A 6 -0.009 -8.252 1.627 1.00 0.00 C ATOM 98 NE ARG A 6 -0.312 -9.556 2.226 1.00 0.00 N ATOM 99 CZ ARG A 6 -1.100 -10.479 1.672 1.00 0.00 C ATOM 100 NH1 ARG A 6 -1.671 -10.281 0.490 1.00 0.00 N ATOM 101 NH2 ARG A 6 -1.323 -11.624 2.305 1.00 0.00 N ATOM 0 H ARG A 6 -2.045 -6.330 5.878 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.048 -8.596 4.268 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.216 -6.271 2.995 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.093 -5.782 4.052 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.153 -6.496 2.071 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.390 -7.813 3.203 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.928 -7.812 1.240 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.659 -8.393 0.778 1.00 0.00 H new ATOM 0 HE ARG A 6 0.109 -9.772 3.129 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.511 -9.409 -0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.270 -11.001 0.086 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.892 -11.797 3.213 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.925 -12.331 1.883 1.00 0.00 H new ATOM 115 N LYS A 7 0.689 -8.906 5.993 1.00 0.00 N ATOM 116 CA LYS A 7 1.748 -9.109 6.977 1.00 0.00 C ATOM 117 C LYS A 7 3.049 -8.580 6.368 1.00 0.00 C ATOM 118 O LYS A 7 3.210 -8.621 5.149 1.00 0.00 O ATOM 119 CB LYS A 7 1.881 -10.605 7.295 1.00 0.00 C ATOM 120 CG LYS A 7 1.880 -10.916 8.795 1.00 0.00 C ATOM 121 CD LYS A 7 0.526 -10.602 9.441 1.00 0.00 C ATOM 122 CE LYS A 7 0.496 -11.065 10.899 1.00 0.00 C ATOM 123 NZ LYS A 7 0.593 -12.533 11.011 1.00 0.00 N ATOM 0 H LYS A 7 0.438 -9.746 5.472 1.00 0.00 H new ATOM 0 HA LYS A 7 1.522 -8.584 7.905 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.060 -11.143 6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.805 -10.981 6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.120 -11.968 8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.661 -10.336 9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.335 -9.530 9.392 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.271 -11.094 8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.320 -10.604 11.444 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.427 -10.725 11.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.286 -12.830 11.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.016 -12.977 10.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.578 -12.828 10.858 1.00 0.00 H new ATOM 137 N VAL A 8 3.977 -8.086 7.192 1.00 0.00 N ATOM 138 CA VAL A 8 5.231 -7.577 6.641 1.00 0.00 C ATOM 139 C VAL A 8 5.922 -8.664 5.818 1.00 0.00 C ATOM 140 O VAL A 8 5.959 -9.827 6.217 1.00 0.00 O ATOM 141 CB VAL A 8 6.152 -7.019 7.729 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.430 -5.929 8.523 1.00 0.00 C ATOM 143 CG2 VAL A 8 6.642 -8.086 8.703 1.00 0.00 C ATOM 0 H VAL A 8 3.889 -8.029 8.207 1.00 0.00 H new ATOM 0 HA VAL A 8 4.996 -6.742 5.981 1.00 0.00 H new ATOM 0 HB VAL A 8 7.022 -6.613 7.213 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.095 -5.540 9.294 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.141 -5.121 7.851 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.539 -6.349 8.990 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.290 -7.627 9.450 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.787 -8.546 9.198 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.199 -8.848 8.158 1.00 0.00 H new ATOM 153 N GLY A 9 6.472 -8.286 4.662 1.00 0.00 N ATOM 154 CA GLY A 9 7.181 -9.210 3.788 1.00 0.00 C ATOM 155 C GLY A 9 6.319 -9.707 2.626 1.00 0.00 C ATOM 156 O GLY A 9 6.820 -10.439 1.771 1.00 0.00 O ATOM 0 H GLY A 9 6.436 -7.330 4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.069 -8.718 3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.524 -10.064 4.372 1.00 0.00 H new ATOM 160 N GLU A 10 5.037 -9.328 2.574 1.00 0.00 N ATOM 161 CA GLU A 10 4.144 -9.756 1.497 1.00 0.00 C ATOM 162 C GLU A 10 3.914 -8.607 0.506 1.00 0.00 C ATOM 163 O GLU A 10 4.521 -7.546 0.639 1.00 0.00 O ATOM 164 CB GLU A 10 2.831 -10.259 2.098 1.00 0.00 C ATOM 165 CG GLU A 10 3.058 -11.430 3.056 1.00 0.00 C ATOM 166 CD GLU A 10 1.736 -11.955 3.615 1.00 0.00 C ATOM 167 OE1 GLU A 10 0.940 -11.122 4.110 1.00 0.00 O ATOM 168 OE2 GLU A 10 1.524 -13.186 3.545 1.00 0.00 O ATOM 0 H GLU A 10 4.596 -8.724 3.268 1.00 0.00 H new ATOM 0 HA GLU A 10 4.602 -10.575 0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.339 -9.445 2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.160 -10.569 1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.579 -12.233 2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.701 -11.112 3.876 1.00 0.00 H new ATOM 175 N SER A 11 3.044 -8.806 -0.494 1.00 0.00 N ATOM 176 CA SER A 11 2.882 -7.837 -1.578 1.00 0.00 C ATOM 177 C SER A 11 1.429 -7.649 -2.015 1.00 0.00 C ATOM 178 O SER A 11 0.540 -8.420 -1.649 1.00 0.00 O ATOM 179 CB SER A 11 3.713 -8.290 -2.783 1.00 0.00 C ATOM 180 OG SER A 11 5.086 -8.334 -2.458 1.00 0.00 O ATOM 0 H SER A 11 2.445 -9.628 -0.571 1.00 0.00 H new ATOM 0 HA SER A 11 3.224 -6.875 -1.196 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.380 -9.275 -3.110 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.554 -7.607 -3.617 1.00 0.00 H new ATOM 0 HG SER A 11 5.598 -8.627 -3.241 1.00 0.00 H new ATOM 186 N ILE A 12 1.198 -6.600 -2.816 1.00 0.00 N ATOM 187 CA ILE A 12 -0.105 -6.188 -3.338 1.00 0.00 C ATOM 188 C ILE A 12 0.115 -5.651 -4.760 1.00 0.00 C ATOM 189 O ILE A 12 1.254 -5.387 -5.146 1.00 0.00 O ATOM 190 CB ILE A 12 -0.718 -5.128 -2.395 1.00 0.00 C ATOM 191 CG1 ILE A 12 -0.942 -5.741 -1.004 1.00 0.00 C ATOM 192 CG2 ILE A 12 -2.043 -4.568 -2.925 1.00 0.00 C ATOM 193 CD1 ILE A 12 -1.562 -4.745 -0.022 1.00 0.00 C ATOM 0 H ILE A 12 1.952 -5.989 -3.130 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.808 -7.020 -3.383 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.012 -4.300 -2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.592 -6.611 -1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.010 -6.094 -0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.431 -3.828 -2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.878 -4.099 -3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.764 -5.379 -3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.700 -5.227 0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.901 -3.886 0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.528 -4.412 -0.403 1.00 0.00 H new ATOM 205 N ASN A 13 -0.951 -5.490 -5.554 1.00 0.00 N ATOM 206 CA ASN A 13 -0.855 -5.050 -6.939 1.00 0.00 C ATOM 207 C ASN A 13 -1.933 -4.031 -7.297 1.00 0.00 C ATOM 208 O ASN A 13 -3.006 -4.004 -6.695 1.00 0.00 O ATOM 209 CB ASN A 13 -0.970 -6.267 -7.858 1.00 0.00 C ATOM 210 CG ASN A 13 0.372 -6.964 -8.004 1.00 0.00 C ATOM 211 OD1 ASN A 13 0.614 -7.997 -7.389 1.00 0.00 O ATOM 212 ND2 ASN A 13 1.252 -6.402 -8.822 1.00 0.00 N ATOM 0 H ASN A 13 -1.907 -5.664 -5.245 1.00 0.00 H new ATOM 0 HA ASN A 13 0.110 -4.560 -7.070 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.705 -6.964 -7.455 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.331 -5.955 -8.838 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.168 -6.830 -8.957 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.013 -5.542 -9.316 1.00 0.00 H new ATOM 219 N ILE A 14 -1.627 -3.195 -8.296 1.00 0.00 N ATOM 220 CA ILE A 14 -2.521 -2.156 -8.785 1.00 0.00 C ATOM 221 C ILE A 14 -2.366 -2.078 -10.302 1.00 0.00 C ATOM 222 O ILE A 14 -1.265 -2.266 -10.826 1.00 0.00 O ATOM 223 CB ILE A 14 -2.173 -0.814 -8.122 1.00 0.00 C ATOM 224 CG1 ILE A 14 -2.293 -0.921 -6.595 1.00 0.00 C ATOM 225 CG2 ILE A 14 -3.099 0.290 -8.648 1.00 0.00 C ATOM 226 CD1 ILE A 14 -1.881 0.371 -5.890 1.00 0.00 C ATOM 0 H ILE A 14 -0.736 -3.227 -8.791 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.557 -2.387 -8.536 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.143 -0.561 -8.372 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.322 -1.165 -6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.669 -1.741 -6.240 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.844 1.237 -8.172 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.978 0.383 -9.727 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.134 0.036 -8.419 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.983 0.246 -4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.844 0.603 -6.132 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.522 1.187 -6.223 1.00 0.00 H new ATOM 238 N GLY A 15 -3.463 -1.800 -11.012 1.00 0.00 N ATOM 239 CA GLY A 15 -3.458 -1.756 -12.463 1.00 0.00 C ATOM 240 C GLY A 15 -2.928 -3.067 -13.032 1.00 0.00 C ATOM 241 O GLY A 15 -3.247 -4.145 -12.532 1.00 0.00 O ATOM 0 H GLY A 15 -4.371 -1.601 -10.593 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.468 -1.574 -12.831 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.839 -0.927 -12.806 1.00 0.00 H new ATOM 245 N ASP A 16 -2.111 -2.963 -14.082 1.00 0.00 N ATOM 246 CA ASP A 16 -1.452 -4.100 -14.707 1.00 0.00 C ATOM 247 C ASP A 16 0.040 -3.801 -14.863 1.00 0.00 C ATOM 248 O ASP A 16 0.760 -4.531 -15.539 1.00 0.00 O ATOM 249 CB ASP A 16 -2.137 -4.411 -16.041 1.00 0.00 C ATOM 250 CG ASP A 16 -1.654 -5.733 -16.637 1.00 0.00 C ATOM 251 OD1 ASP A 16 -1.670 -6.741 -15.894 1.00 0.00 O ATOM 252 OD2 ASP A 16 -1.273 -5.724 -17.828 1.00 0.00 O ATOM 0 H ASP A 16 -1.889 -2.071 -14.525 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.538 -4.989 -14.082 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.216 -4.452 -15.894 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.942 -3.603 -16.746 1.00 0.00 H new ATOM 257 N ASP A 17 0.502 -2.717 -14.231 1.00 0.00 N ATOM 258 CA ASP A 17 1.876 -2.239 -14.354 1.00 0.00 C ATOM 259 C ASP A 17 2.437 -1.757 -13.015 1.00 0.00 C ATOM 260 O ASP A 17 3.522 -1.177 -12.998 1.00 0.00 O ATOM 261 CB ASP A 17 1.933 -1.106 -15.381 1.00 0.00 C ATOM 262 CG ASP A 17 1.489 -1.560 -16.768 1.00 0.00 C ATOM 263 OD1 ASP A 17 2.336 -2.147 -17.479 1.00 0.00 O ATOM 264 OD2 ASP A 17 0.309 -1.321 -17.108 1.00 0.00 O ATOM 0 H ASP A 17 -0.075 -2.144 -13.615 1.00 0.00 H new ATOM 0 HA ASP A 17 2.493 -3.075 -14.685 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.297 -0.285 -15.049 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.951 -0.719 -15.436 1.00 0.00 H new ATOM 269 N ILE A 18 1.729 -1.971 -11.897 1.00 0.00 N ATOM 270 CA ILE A 18 2.217 -1.523 -10.595 1.00 0.00 C ATOM 271 C ILE A 18 2.146 -2.658 -9.578 1.00 0.00 C ATOM 272 O ILE A 18 1.240 -3.494 -9.610 1.00 0.00 O ATOM 273 CB ILE A 18 1.422 -0.298 -10.109 1.00 0.00 C ATOM 274 CG1 ILE A 18 1.495 0.877 -11.094 1.00 0.00 C ATOM 275 CG2 ILE A 18 1.972 0.173 -8.761 1.00 0.00 C ATOM 276 CD1 ILE A 18 0.358 0.834 -12.119 1.00 0.00 C ATOM 0 H ILE A 18 0.827 -2.447 -11.872 1.00 0.00 H new ATOM 0 HA ILE A 18 3.261 -1.227 -10.701 1.00 0.00 H new ATOM 0 HB ILE A 18 0.381 -0.611 -10.023 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.451 1.816 -10.543 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.453 0.856 -11.613 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.407 1.040 -8.420 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.880 -0.630 -8.030 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.022 0.445 -8.871 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.447 1.683 -12.797 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.417 -0.093 -12.689 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.600 0.882 -11.602 1.00 0.00 H new ATOM 288 N THR A 19 3.123 -2.672 -8.664 1.00 0.00 N ATOM 289 CA THR A 19 3.213 -3.640 -7.584 1.00 0.00 C ATOM 290 C THR A 19 3.616 -2.904 -6.312 1.00 0.00 C ATOM 291 O THR A 19 4.229 -1.840 -6.377 1.00 0.00 O ATOM 292 CB THR A 19 4.242 -4.719 -7.939 1.00 0.00 C ATOM 293 OG1 THR A 19 3.945 -5.275 -9.199 1.00 0.00 O ATOM 294 CG2 THR A 19 4.261 -5.849 -6.909 1.00 0.00 C ATOM 0 H THR A 19 3.885 -1.994 -8.661 1.00 0.00 H new ATOM 0 HA THR A 19 2.252 -4.130 -7.430 1.00 0.00 H new ATOM 0 HB THR A 19 5.219 -4.236 -7.951 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.608 -5.962 -9.418 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.004 -6.593 -7.198 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.515 -5.444 -5.929 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.278 -6.317 -6.864 1.00 0.00 H new ATOM 302 N ILE A 20 3.264 -3.469 -5.157 1.00 0.00 N ATOM 303 CA ILE A 20 3.495 -2.868 -3.850 1.00 0.00 C ATOM 304 C ILE A 20 4.037 -3.947 -2.915 1.00 0.00 C ATOM 305 O ILE A 20 3.693 -5.119 -3.063 1.00 0.00 O ATOM 306 CB ILE A 20 2.164 -2.328 -3.298 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.451 -1.370 -4.265 1.00 0.00 C ATOM 308 CG2 ILE A 20 2.381 -1.640 -1.947 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.200 -0.053 -4.461 1.00 0.00 C ATOM 0 H ILE A 20 2.801 -4.376 -5.106 1.00 0.00 H new ATOM 0 HA ILE A 20 4.209 -2.048 -3.929 1.00 0.00 H new ATOM 0 HB ILE A 20 1.513 -3.193 -3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.331 -1.861 -5.231 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.450 -1.160 -3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.429 -1.265 -1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.794 -2.356 -1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.076 -0.809 -2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.647 0.581 -5.154 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.297 0.456 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.191 -0.255 -4.867 1.00 0.00 H new ATOM 321 N THR A 21 4.883 -3.558 -1.957 1.00 0.00 N ATOM 322 CA THR A 21 5.464 -4.497 -1.007 1.00 0.00 C ATOM 323 C THR A 21 5.588 -3.834 0.361 1.00 0.00 C ATOM 324 O THR A 21 6.195 -2.773 0.487 1.00 0.00 O ATOM 325 CB THR A 21 6.841 -4.948 -1.502 1.00 0.00 C ATOM 326 OG1 THR A 21 6.721 -5.545 -2.776 1.00 0.00 O ATOM 327 CG2 THR A 21 7.455 -5.975 -0.554 1.00 0.00 C ATOM 0 H THR A 21 5.179 -2.591 -1.823 1.00 0.00 H new ATOM 0 HA THR A 21 4.817 -5.370 -0.920 1.00 0.00 H new ATOM 0 HB THR A 21 7.481 -4.067 -1.548 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.217 -6.382 -2.699 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.432 -6.278 -0.929 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.568 -5.534 0.437 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.804 -6.847 -0.491 1.00 0.00 H new ATOM 335 N ILE A 22 5.010 -4.462 1.386 1.00 0.00 N ATOM 336 CA ILE A 22 5.094 -3.980 2.757 1.00 0.00 C ATOM 337 C ILE A 22 6.452 -4.374 3.334 1.00 0.00 C ATOM 338 O ILE A 22 6.627 -5.471 3.868 1.00 0.00 O ATOM 339 CB ILE A 22 3.896 -4.498 3.571 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.036 -4.209 5.067 1.00 0.00 C ATOM 341 CG2 ILE A 22 3.661 -5.996 3.387 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.255 -2.727 5.341 1.00 0.00 C ATOM 0 H ILE A 22 4.470 -5.321 1.284 1.00 0.00 H new ATOM 0 HA ILE A 22 5.032 -2.893 2.798 1.00 0.00 H new ATOM 0 HB ILE A 22 3.038 -3.953 3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.139 -4.546 5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.872 -4.780 5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.804 -6.306 3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.466 -6.207 2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.546 -6.545 3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.349 -2.566 6.415 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.166 -2.396 4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.407 -2.158 4.962 1.00 0.00 H new ATOM 354 N LEU A 23 7.428 -3.469 3.230 1.00 0.00 N ATOM 355 CA LEU A 23 8.790 -3.738 3.667 1.00 0.00 C ATOM 356 C LEU A 23 8.846 -3.944 5.181 1.00 0.00 C ATOM 357 O LEU A 23 9.664 -4.729 5.658 1.00 0.00 O ATOM 358 CB LEU A 23 9.706 -2.581 3.255 1.00 0.00 C ATOM 359 CG LEU A 23 9.593 -2.250 1.766 1.00 0.00 C ATOM 360 CD1 LEU A 23 10.548 -1.116 1.425 1.00 0.00 C ATOM 361 CD2 LEU A 23 9.950 -3.444 0.890 1.00 0.00 C ATOM 0 H LEU A 23 7.293 -2.535 2.842 1.00 0.00 H new ATOM 0 HA LEU A 23 9.133 -4.655 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.456 -1.697 3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.739 -2.837 3.490 1.00 0.00 H new ATOM 0 HG LEU A 23 8.558 -1.968 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.468 -0.880 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.292 -0.235 2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.570 -1.420 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.857 -3.166 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.976 -3.751 1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.273 -4.270 1.108 1.00 0.00 H new ATOM 373 N GLY A 24 7.986 -3.252 5.937 1.00 0.00 N ATOM 374 CA GLY A 24 7.881 -3.494 7.366 1.00 0.00 C ATOM 375 C GLY A 24 7.277 -2.306 8.112 1.00 0.00 C ATOM 376 O GLY A 24 6.816 -1.347 7.495 1.00 0.00 O ATOM 0 H GLY A 24 7.362 -2.528 5.580 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.268 -4.378 7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.870 -3.709 7.770 1.00 0.00 H new ATOM 380 N VAL A 25 7.287 -2.377 9.449 1.00 0.00 N ATOM 381 CA VAL A 25 6.775 -1.309 10.302 1.00 0.00 C ATOM 382 C VAL A 25 7.747 -1.027 11.445 1.00 0.00 C ATOM 383 O VAL A 25 8.609 -1.850 11.756 1.00 0.00 O ATOM 384 CB VAL A 25 5.381 -1.663 10.854 1.00 0.00 C ATOM 385 CG1 VAL A 25 4.483 -2.262 9.773 1.00 0.00 C ATOM 386 CG2 VAL A 25 5.467 -2.652 12.020 1.00 0.00 C ATOM 0 H VAL A 25 7.651 -3.178 9.965 1.00 0.00 H new ATOM 0 HA VAL A 25 6.679 -0.408 9.696 1.00 0.00 H new ATOM 0 HB VAL A 25 4.949 -0.727 11.207 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.508 -2.499 10.200 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.359 -1.543 8.963 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.940 -3.172 9.384 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.463 -2.877 12.381 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.945 -3.571 11.683 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.053 -2.213 12.827 1.00 0.00 H new ATOM 396 N SER A 26 7.600 0.144 12.067 1.00 0.00 N ATOM 397 CA SER A 26 8.409 0.557 13.204 1.00 0.00 C ATOM 398 C SER A 26 7.562 1.474 14.069 1.00 0.00 C ATOM 399 O SER A 26 7.339 2.628 13.703 1.00 0.00 O ATOM 400 CB SER A 26 9.657 1.304 12.729 1.00 0.00 C ATOM 401 OG SER A 26 10.468 0.475 11.924 1.00 0.00 O ATOM 0 H SER A 26 6.906 0.837 11.788 1.00 0.00 H new ATOM 0 HA SER A 26 8.731 -0.318 13.769 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.363 2.189 12.165 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.228 1.651 13.591 1.00 0.00 H new ATOM 0 HG SER A 26 11.258 0.975 11.631 1.00 0.00 H new ATOM 407 N GLY A 27 7.089 0.978 15.212 1.00 0.00 N ATOM 408 CA GLY A 27 6.157 1.718 16.048 1.00 0.00 C ATOM 409 C GLY A 27 4.831 1.850 15.316 1.00 0.00 C ATOM 410 O GLY A 27 4.008 0.936 15.355 1.00 0.00 O ATOM 0 H GLY A 27 7.341 0.060 15.578 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.013 1.203 16.998 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.560 2.704 16.278 1.00 0.00 H new ATOM 414 N GLN A 28 4.627 2.985 14.645 1.00 0.00 N ATOM 415 CA GLN A 28 3.463 3.220 13.802 1.00 0.00 C ATOM 416 C GLN A 28 3.894 3.646 12.403 1.00 0.00 C ATOM 417 O GLN A 28 3.038 3.938 11.567 1.00 0.00 O ATOM 418 CB GLN A 28 2.555 4.292 14.410 1.00 0.00 C ATOM 419 CG GLN A 28 1.806 3.822 15.657 1.00 0.00 C ATOM 420 CD GLN A 28 0.849 2.664 15.377 1.00 0.00 C ATOM 421 OE1 GLN A 28 -0.343 2.876 15.175 1.00 0.00 O ATOM 422 NE2 GLN A 28 1.344 1.431 15.360 1.00 0.00 N ATOM 0 H GLN A 28 5.275 3.773 14.675 1.00 0.00 H new ATOM 0 HA GLN A 28 2.905 2.286 13.735 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.157 5.165 14.665 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.831 4.612 13.660 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.528 3.515 16.414 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.244 4.658 16.073 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.338 1.278 15.531 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.730 0.637 15.176 1.00 0.00 H new ATOM 431 N GLN A 29 5.204 3.688 12.136 1.00 0.00 N ATOM 432 CA GLN A 29 5.685 3.915 10.784 1.00 0.00 C ATOM 433 C GLN A 29 5.475 2.660 9.956 1.00 0.00 C ATOM 434 O GLN A 29 5.314 1.566 10.495 1.00 0.00 O ATOM 435 CB GLN A 29 7.174 4.250 10.751 1.00 0.00 C ATOM 436 CG GLN A 29 7.434 5.734 10.978 1.00 0.00 C ATOM 437 CD GLN A 29 8.799 6.103 10.419 1.00 0.00 C ATOM 438 OE1 GLN A 29 8.892 6.788 9.405 1.00 0.00 O ATOM 439 NE2 GLN A 29 9.865 5.652 11.070 1.00 0.00 N ATOM 0 H GLN A 29 5.937 3.568 12.835 1.00 0.00 H new ATOM 0 HA GLN A 29 5.125 4.759 10.382 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.692 3.671 11.515 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.591 3.953 9.789 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.659 6.328 10.494 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.392 5.962 12.043 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.748 5.085 11.910 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.801 5.873 10.730 1.00 0.00 H new ATOM 448 N VAL A 30 5.484 2.836 8.639 1.00 0.00 N ATOM 449 CA VAL A 30 5.408 1.744 7.695 1.00 0.00 C ATOM 450 C VAL A 30 6.335 2.073 6.535 1.00 0.00 C ATOM 451 O VAL A 30 6.201 3.134 5.920 1.00 0.00 O ATOM 452 CB VAL A 30 3.971 1.598 7.188 1.00 0.00 C ATOM 453 CG1 VAL A 30 3.896 0.361 6.300 1.00 0.00 C ATOM 454 CG2 VAL A 30 2.971 1.428 8.333 1.00 0.00 C ATOM 0 H VAL A 30 5.545 3.754 8.199 1.00 0.00 H new ATOM 0 HA VAL A 30 5.704 0.807 8.166 1.00 0.00 H new ATOM 0 HB VAL A 30 3.712 2.505 6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.878 0.241 5.929 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.578 0.476 5.458 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.178 -0.519 6.878 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.965 1.328 7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.221 0.534 8.905 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.013 2.300 8.986 1.00 0.00 H new ATOM 464 N ARG A 31 7.268 1.162 6.243 1.00 0.00 N ATOM 465 CA ARG A 31 8.073 1.246 5.035 1.00 0.00 C ATOM 466 C ARG A 31 7.322 0.484 3.961 1.00 0.00 C ATOM 467 O ARG A 31 6.989 -0.686 4.144 1.00 0.00 O ATOM 468 CB ARG A 31 9.444 0.591 5.209 1.00 0.00 C ATOM 469 CG ARG A 31 10.472 1.541 5.813 1.00 0.00 C ATOM 470 CD ARG A 31 11.880 1.095 5.400 1.00 0.00 C ATOM 471 NE ARG A 31 12.205 -0.255 5.876 1.00 0.00 N ATOM 472 CZ ARG A 31 13.297 -0.925 5.493 1.00 0.00 C ATOM 473 NH1 ARG A 31 14.173 -0.379 4.652 1.00 0.00 N ATOM 474 NH2 ARG A 31 13.522 -2.152 5.952 1.00 0.00 N ATOM 0 H ARG A 31 7.480 0.358 6.833 1.00 0.00 H new ATOM 0 HA ARG A 31 8.235 2.294 4.785 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.345 -0.287 5.848 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.802 0.242 4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.287 2.560 5.473 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.384 1.547 6.899 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.962 1.123 4.313 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.611 1.801 5.793 1.00 0.00 H new ATOM 0 HE ARG A 31 11.566 -0.704 6.532 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.015 0.562 4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.002 -0.902 4.368 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.861 -2.584 6.598 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.356 -2.661 5.659 1.00 0.00 H new ATOM 488 N ILE A 32 7.067 1.163 2.846 1.00 0.00 N ATOM 489 CA ILE A 32 6.345 0.582 1.730 1.00 0.00 C ATOM 490 C ILE A 32 7.168 0.778 0.466 1.00 0.00 C ATOM 491 O ILE A 32 7.581 1.894 0.158 1.00 0.00 O ATOM 492 CB ILE A 32 4.972 1.247 1.583 1.00 0.00 C ATOM 493 CG1 ILE A 32 4.343 1.502 2.960 1.00 0.00 C ATOM 494 CG2 ILE A 32 4.083 0.348 0.720 1.00 0.00 C ATOM 495 CD1 ILE A 32 2.907 2.007 2.863 1.00 0.00 C ATOM 0 H ILE A 32 7.357 2.129 2.696 1.00 0.00 H new ATOM 0 HA ILE A 32 6.187 -0.482 1.904 1.00 0.00 H new ATOM 0 HB ILE A 32 5.079 2.216 1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.362 0.580 3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.945 2.232 3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.102 0.808 0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.539 0.219 -0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.974 -0.625 1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.510 2.171 3.865 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.888 2.944 2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.295 1.267 2.347 1.00 0.00 H new ATOM 507 N GLY A 33 7.393 -0.318 -0.259 1.00 0.00 N ATOM 508 CA GLY A 33 8.106 -0.298 -1.520 1.00 0.00 C ATOM 509 C GLY A 33 7.092 -0.317 -2.650 1.00 0.00 C ATOM 510 O GLY A 33 6.012 -0.890 -2.512 1.00 0.00 O ATOM 0 H GLY A 33 7.080 -1.248 0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.731 0.593 -1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.770 -1.159 -1.593 1.00 0.00 H new ATOM 514 N ILE A 34 7.435 0.313 -3.772 1.00 0.00 N ATOM 515 CA ILE A 34 6.552 0.378 -4.920 1.00 0.00 C ATOM 516 C ILE A 34 7.375 0.067 -6.158 1.00 0.00 C ATOM 517 O ILE A 34 8.544 0.436 -6.238 1.00 0.00 O ATOM 518 CB ILE A 34 5.900 1.767 -4.995 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.132 2.044 -3.690 1.00 0.00 C ATOM 520 CG2 ILE A 34 4.968 1.824 -6.212 1.00 0.00 C ATOM 521 CD1 ILE A 34 4.487 3.429 -3.664 1.00 0.00 C ATOM 0 H ILE A 34 8.328 0.788 -3.904 1.00 0.00 H new ATOM 0 HA ILE A 34 5.744 -0.350 -4.840 1.00 0.00 H new ATOM 0 HB ILE A 34 6.664 2.536 -5.111 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.359 1.286 -3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.815 1.950 -2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.503 2.808 -6.269 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.543 1.642 -7.120 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.194 1.063 -6.114 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.960 3.567 -2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.259 4.192 -3.763 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.781 3.517 -4.490 1.00 0.00 H new ATOM 533 N ASN A 35 6.762 -0.611 -7.125 1.00 0.00 N ATOM 534 CA ASN A 35 7.443 -1.019 -8.337 1.00 0.00 C ATOM 535 C ASN A 35 6.538 -0.729 -9.522 1.00 0.00 C ATOM 536 O ASN A 35 5.576 -1.450 -9.777 1.00 0.00 O ATOM 537 CB ASN A 35 7.810 -2.502 -8.230 1.00 0.00 C ATOM 538 CG ASN A 35 8.734 -2.951 -9.351 1.00 0.00 C ATOM 539 OD1 ASN A 35 9.024 -2.199 -10.276 1.00 0.00 O ATOM 540 ND2 ASN A 35 9.207 -4.189 -9.275 1.00 0.00 N ATOM 0 H ASN A 35 5.782 -0.889 -7.085 1.00 0.00 H new ATOM 0 HA ASN A 35 8.370 -0.463 -8.479 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.292 -2.686 -7.270 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.900 -3.101 -8.250 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.832 -4.542 -10.000 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.945 -4.788 -8.492 1.00 0.00 H new ATOM 547 N ALA A 36 6.871 0.340 -10.240 1.00 0.00 N ATOM 548 CA ALA A 36 6.111 0.813 -11.382 1.00 0.00 C ATOM 549 C ALA A 36 7.072 1.387 -12.421 1.00 0.00 C ATOM 550 O ALA A 36 8.174 1.807 -12.059 1.00 0.00 O ATOM 551 CB ALA A 36 5.135 1.885 -10.894 1.00 0.00 C ATOM 0 H ALA A 36 7.693 0.909 -10.037 1.00 0.00 H new ATOM 0 HA ALA A 36 5.552 -0.001 -11.844 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.551 2.256 -11.736 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.465 1.455 -10.150 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.692 2.708 -10.448 1.00 0.00 H new ATOM 557 N PRO A 37 6.687 1.415 -13.702 1.00 0.00 N ATOM 558 CA PRO A 37 7.502 1.995 -14.752 1.00 0.00 C ATOM 559 C PRO A 37 7.518 3.514 -14.621 1.00 0.00 C ATOM 560 O PRO A 37 6.573 4.104 -14.103 1.00 0.00 O ATOM 561 CB PRO A 37 6.822 1.571 -16.054 1.00 0.00 C ATOM 562 CG PRO A 37 5.352 1.434 -15.657 1.00 0.00 C ATOM 563 CD PRO A 37 5.440 0.894 -14.232 1.00 0.00 C ATOM 0 HA PRO A 37 8.539 1.663 -14.709 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.959 2.314 -16.839 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.226 0.631 -16.431 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.831 2.391 -15.696 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.816 0.752 -16.317 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.590 1.223 -13.634 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.434 -0.196 -14.223 1.00 0.00 H new ATOM 571 N LYS A 38 8.593 4.155 -15.090 1.00 0.00 N ATOM 572 CA LYS A 38 8.679 5.612 -15.090 1.00 0.00 C ATOM 573 C LYS A 38 7.639 6.211 -16.039 1.00 0.00 C ATOM 574 O LYS A 38 7.505 7.430 -16.128 1.00 0.00 O ATOM 575 CB LYS A 38 10.099 6.050 -15.461 1.00 0.00 C ATOM 576 CG LYS A 38 11.124 5.616 -14.403 1.00 0.00 C ATOM 577 CD LYS A 38 10.896 6.292 -13.045 1.00 0.00 C ATOM 578 CE LYS A 38 11.016 7.813 -13.111 1.00 0.00 C ATOM 579 NZ LYS A 38 12.362 8.235 -13.540 1.00 0.00 N ATOM 0 H LYS A 38 9.413 3.685 -15.473 1.00 0.00 H new ATOM 0 HA LYS A 38 8.460 5.984 -14.089 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.370 5.623 -16.427 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.128 7.134 -15.572 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.075 4.534 -14.278 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.128 5.851 -14.757 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.906 6.026 -12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.619 5.906 -12.327 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.273 8.207 -13.804 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.796 8.238 -12.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.455 9.265 -13.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.078 7.757 -12.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.503 7.982 -14.539 1.00 0.00 H new ATOM 593 N ASP A 39 6.900 5.348 -16.745 1.00 0.00 N ATOM 594 CA ASP A 39 5.765 5.736 -17.573 1.00 0.00 C ATOM 595 C ASP A 39 4.587 6.204 -16.716 1.00 0.00 C ATOM 596 O ASP A 39 3.599 6.708 -17.249 1.00 0.00 O ATOM 597 CB ASP A 39 5.346 4.532 -18.421 1.00 0.00 C ATOM 598 CG ASP A 39 6.388 4.217 -19.491 1.00 0.00 C ATOM 599 OD1 ASP A 39 6.346 4.888 -20.545 1.00 0.00 O ATOM 600 OD2 ASP A 39 7.214 3.310 -19.245 1.00 0.00 O ATOM 0 H ASP A 39 7.081 4.344 -16.754 1.00 0.00 H new ATOM 0 HA ASP A 39 6.060 6.568 -18.213 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.207 3.663 -17.778 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.385 4.735 -18.894 1.00 0.00 H new ATOM 605 N VAL A 40 4.681 6.038 -15.392 1.00 0.00 N ATOM 606 CA VAL A 40 3.653 6.485 -14.456 1.00 0.00 C ATOM 607 C VAL A 40 4.316 7.097 -13.225 1.00 0.00 C ATOM 608 O VAL A 40 5.494 6.853 -12.958 1.00 0.00 O ATOM 609 CB VAL A 40 2.723 5.330 -14.052 1.00 0.00 C ATOM 610 CG1 VAL A 40 2.120 4.650 -15.283 1.00 0.00 C ATOM 611 CG2 VAL A 40 3.453 4.268 -13.226 1.00 0.00 C ATOM 0 H VAL A 40 5.477 5.587 -14.941 1.00 0.00 H new ATOM 0 HA VAL A 40 3.040 7.240 -14.949 1.00 0.00 H new ATOM 0 HB VAL A 40 1.933 5.774 -13.446 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.467 3.837 -14.966 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.543 5.377 -15.855 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.920 4.251 -15.906 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.758 3.471 -12.962 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.275 3.854 -13.810 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.847 4.722 -12.316 1.00 0.00 H new ATOM 621 N ALA A 41 3.559 7.897 -12.472 1.00 0.00 N ATOM 622 CA ALA A 41 4.096 8.624 -11.333 1.00 0.00 C ATOM 623 C ALA A 41 3.753 7.939 -10.013 1.00 0.00 C ATOM 624 O ALA A 41 2.779 7.196 -9.924 1.00 0.00 O ATOM 625 CB ALA A 41 3.522 10.042 -11.355 1.00 0.00 C ATOM 0 H ALA A 41 2.565 8.055 -12.637 1.00 0.00 H new ATOM 0 HA ALA A 41 5.183 8.649 -11.408 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.912 10.606 -10.508 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.809 10.536 -12.283 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.435 9.996 -11.290 1.00 0.00 H new ATOM 631 N VAL A 42 4.560 8.195 -8.979 1.00 0.00 N ATOM 632 CA VAL A 42 4.287 7.732 -7.625 1.00 0.00 C ATOM 633 C VAL A 42 4.967 8.679 -6.639 1.00 0.00 C ATOM 634 O VAL A 42 6.136 9.016 -6.823 1.00 0.00 O ATOM 635 CB VAL A 42 4.775 6.281 -7.468 1.00 0.00 C ATOM 636 CG1 VAL A 42 6.201 6.088 -7.975 1.00 0.00 C ATOM 637 CG2 VAL A 42 4.738 5.812 -6.017 1.00 0.00 C ATOM 0 H VAL A 42 5.423 8.732 -9.063 1.00 0.00 H new ATOM 0 HA VAL A 42 3.216 7.737 -7.420 1.00 0.00 H new ATOM 0 HB VAL A 42 4.085 5.689 -8.069 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.497 5.047 -7.841 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.249 6.346 -9.033 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.877 6.732 -7.413 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.091 4.783 -5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.380 6.451 -5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.716 5.866 -5.643 1.00 0.00 H new ATOM 647 N HIS A 43 4.258 9.117 -5.590 1.00 0.00 N ATOM 648 CA HIS A 43 4.816 10.078 -4.642 1.00 0.00 C ATOM 649 C HIS A 43 4.128 10.035 -3.284 1.00 0.00 C ATOM 650 O HIS A 43 3.076 9.426 -3.116 1.00 0.00 O ATOM 651 CB HIS A 43 4.601 11.507 -5.149 1.00 0.00 C ATOM 652 CG HIS A 43 5.020 11.765 -6.567 1.00 0.00 C ATOM 653 ND1 HIS A 43 6.328 12.009 -6.993 1.00 0.00 N ATOM 654 CD2 HIS A 43 4.171 11.807 -7.632 1.00 0.00 C ATOM 655 CE1 HIS A 43 6.233 12.194 -8.321 1.00 0.00 C ATOM 656 NE2 HIS A 43 4.953 12.081 -8.732 1.00 0.00 N ATOM 0 H HIS A 43 3.304 8.821 -5.381 1.00 0.00 H new ATOM 0 HA HIS A 43 5.869 9.811 -4.547 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.543 11.752 -5.052 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.147 12.190 -4.498 1.00 0.00 H new ATOM 0 HD1 HIS A 43 7.172 12.040 -6.421 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.102 11.656 -7.617 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.069 12.405 -8.972 1.00 0.00 H new ATOM 664 N ARG A 44 4.756 10.707 -2.314 1.00 0.00 N ATOM 665 CA ARG A 44 4.149 11.013 -1.028 1.00 0.00 C ATOM 666 C ARG A 44 3.011 12.000 -1.311 1.00 0.00 C ATOM 667 O ARG A 44 3.095 12.779 -2.260 1.00 0.00 O ATOM 668 CB ARG A 44 5.238 11.628 -0.152 1.00 0.00 C ATOM 669 CG ARG A 44 4.803 11.996 1.271 1.00 0.00 C ATOM 670 CD ARG A 44 4.568 10.771 2.159 1.00 0.00 C ATOM 671 NE ARG A 44 4.562 11.175 3.569 1.00 0.00 N ATOM 672 CZ ARG A 44 3.477 11.338 4.335 1.00 0.00 C ATOM 673 NH1 ARG A 44 2.254 11.074 3.886 1.00 0.00 N ATOM 674 NH2 ARG A 44 3.616 11.773 5.581 1.00 0.00 N ATOM 0 H ARG A 44 5.710 11.055 -2.407 1.00 0.00 H new ATOM 0 HA ARG A 44 3.745 10.142 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.071 10.927 -0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.613 12.526 -0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.566 12.627 1.727 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.887 12.585 1.224 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.619 10.300 1.902 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.349 10.030 1.987 1.00 0.00 H new ATOM 0 HE ARG A 44 5.468 11.347 4.006 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.123 10.737 2.932 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.447 11.209 4.495 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.545 11.980 5.948 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.794 11.900 6.172 1.00 0.00 H new ATOM 688 N GLU A 45 1.947 11.990 -0.508 1.00 0.00 N ATOM 689 CA GLU A 45 0.791 12.840 -0.755 1.00 0.00 C ATOM 690 C GLU A 45 1.171 14.327 -0.780 1.00 0.00 C ATOM 691 O GLU A 45 0.590 15.099 -1.539 1.00 0.00 O ATOM 692 CB GLU A 45 -0.248 12.537 0.329 1.00 0.00 C ATOM 693 CG GLU A 45 -1.672 12.871 -0.113 1.00 0.00 C ATOM 694 CD GLU A 45 -1.937 14.367 -0.211 1.00 0.00 C ATOM 695 OE1 GLU A 45 -1.612 15.079 0.766 1.00 0.00 O ATOM 696 OE2 GLU A 45 -2.467 14.784 -1.266 1.00 0.00 O ATOM 0 H GLU A 45 1.865 11.400 0.320 1.00 0.00 H new ATOM 0 HA GLU A 45 0.376 12.626 -1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.192 11.482 0.596 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.007 13.106 1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.861 12.411 -1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.377 12.430 0.592 1.00 0.00 H new ATOM 703 N GLU A 46 2.145 14.738 0.043 1.00 0.00 N ATOM 704 CA GLU A 46 2.590 16.130 0.101 1.00 0.00 C ATOM 705 C GLU A 46 3.474 16.510 -1.087 1.00 0.00 C ATOM 706 O GLU A 46 3.740 17.693 -1.300 1.00 0.00 O ATOM 707 CB GLU A 46 3.335 16.391 1.414 1.00 0.00 C ATOM 708 CG GLU A 46 4.712 15.723 1.425 1.00 0.00 C ATOM 709 CD GLU A 46 5.408 15.922 2.768 1.00 0.00 C ATOM 710 OE1 GLU A 46 5.145 15.106 3.679 1.00 0.00 O ATOM 711 OE2 GLU A 46 6.199 16.886 2.877 1.00 0.00 O ATOM 0 H GLU A 46 2.642 14.117 0.682 1.00 0.00 H new ATOM 0 HA GLU A 46 1.698 16.755 0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.450 17.465 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.743 16.018 2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.604 14.657 1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.328 16.139 0.628 1.00 0.00 H new ATOM 718 N ILE A 47 3.930 15.521 -1.863 1.00 0.00 N ATOM 719 CA ILE A 47 4.788 15.743 -3.022 1.00 0.00 C ATOM 720 C ILE A 47 3.964 15.638 -4.294 1.00 0.00 C ATOM 721 O ILE A 47 4.234 16.359 -5.250 1.00 0.00 O ATOM 722 CB ILE A 47 5.926 14.715 -3.010 1.00 0.00 C ATOM 723 CG1 ILE A 47 6.833 14.920 -1.792 1.00 0.00 C ATOM 724 CG2 ILE A 47 6.749 14.800 -4.299 1.00 0.00 C ATOM 725 CD1 ILE A 47 7.460 16.313 -1.735 1.00 0.00 C ATOM 0 H ILE A 47 3.710 14.538 -1.700 1.00 0.00 H new ATOM 0 HA ILE A 47 5.223 16.742 -2.983 1.00 0.00 H new ATOM 0 HB ILE A 47 5.479 13.723 -2.947 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.254 14.752 -0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.626 14.172 -1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.550 14.062 -4.268 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.105 14.601 -5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.178 15.798 -4.392 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.090 16.392 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.065 16.476 -2.627 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.672 17.065 -1.688 1.00 0.00 H new ATOM 737 N TYR A 48 2.961 14.758 -4.320 1.00 0.00 N ATOM 738 CA TYR A 48 2.111 14.606 -5.484 1.00 0.00 C ATOM 739 C TYR A 48 1.489 15.943 -5.878 1.00 0.00 C ATOM 740 O TYR A 48 1.451 16.281 -7.059 1.00 0.00 O ATOM 741 CB TYR A 48 1.018 13.587 -5.170 1.00 0.00 C ATOM 742 CG TYR A 48 -0.142 13.643 -6.133 1.00 0.00 C ATOM 743 CD1 TYR A 48 0.077 13.676 -7.519 1.00 0.00 C ATOM 744 CD2 TYR A 48 -1.449 13.667 -5.628 1.00 0.00 C ATOM 745 CE1 TYR A 48 -1.007 13.781 -8.403 1.00 0.00 C ATOM 746 CE2 TYR A 48 -2.539 13.748 -6.501 1.00 0.00 C ATOM 747 CZ TYR A 48 -2.322 13.815 -7.894 1.00 0.00 C ATOM 748 OH TYR A 48 -3.380 13.910 -8.749 1.00 0.00 O ATOM 0 H TYR A 48 2.724 14.142 -3.542 1.00 0.00 H new ATOM 0 HA TYR A 48 2.711 14.255 -6.323 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.448 12.586 -5.187 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.650 13.758 -4.158 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.084 13.620 -7.906 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.615 13.623 -4.562 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.836 13.836 -9.468 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.545 13.759 -6.110 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.215 13.920 -8.236 1.00 0.00 H new ATOM 758 N GLN A 49 1.004 16.705 -4.892 1.00 0.00 N ATOM 759 CA GLN A 49 0.382 17.994 -5.162 1.00 0.00 C ATOM 760 C GLN A 49 1.381 18.980 -5.762 1.00 0.00 C ATOM 761 O GLN A 49 0.981 19.953 -6.394 1.00 0.00 O ATOM 762 CB GLN A 49 -0.190 18.576 -3.870 1.00 0.00 C ATOM 763 CG GLN A 49 -1.301 17.702 -3.298 1.00 0.00 C ATOM 764 CD GLN A 49 -1.896 18.310 -2.035 1.00 0.00 C ATOM 765 OE1 GLN A 49 -1.976 19.530 -1.893 1.00 0.00 O ATOM 766 NE2 GLN A 49 -2.320 17.469 -1.101 1.00 0.00 N ATOM 0 H GLN A 49 1.033 16.448 -3.905 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.419 17.834 -5.884 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.607 18.679 -3.134 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.577 19.577 -4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.084 17.573 -4.045 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.907 16.711 -3.075 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.241 16.463 -1.247 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.725 17.829 -0.237 1.00 0.00 H new ATOM 775 N ARG A 50 2.680 18.734 -5.570 1.00 0.00 N ATOM 776 CA ARG A 50 3.714 19.627 -6.066 1.00 0.00 C ATOM 777 C ARG A 50 4.000 19.365 -7.540 1.00 0.00 C ATOM 778 O ARG A 50 4.240 20.311 -8.285 1.00 0.00 O ATOM 779 CB ARG A 50 4.967 19.466 -5.210 1.00 0.00 C ATOM 780 CG ARG A 50 5.986 20.535 -5.595 1.00 0.00 C ATOM 781 CD ARG A 50 7.196 20.424 -4.677 1.00 0.00 C ATOM 782 NE ARG A 50 6.883 20.848 -3.306 1.00 0.00 N ATOM 783 CZ ARG A 50 7.516 20.411 -2.214 1.00 0.00 C ATOM 784 NH1 ARG A 50 8.513 19.529 -2.302 1.00 0.00 N ATOM 785 NH2 ARG A 50 7.152 20.854 -1.015 1.00 0.00 N ATOM 0 H ARG A 50 3.035 17.918 -5.071 1.00 0.00 H new ATOM 0 HA ARG A 50 3.370 20.659 -5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.713 19.554 -4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.393 18.473 -5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.290 20.408 -6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.541 21.526 -5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.551 19.393 -4.666 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.008 21.036 -5.070 1.00 0.00 H new ATOM 0 HE ARG A 50 6.129 21.524 -3.179 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.804 19.177 -3.214 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.985 19.207 -1.457 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.390 21.527 -0.930 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.634 20.521 -0.180 1.00 0.00 H new ATOM 799 N ILE A 51 3.979 18.103 -7.977 1.00 0.00 N ATOM 800 CA ILE A 51 4.184 17.786 -9.389 1.00 0.00 C ATOM 801 C ILE A 51 3.070 18.425 -10.219 1.00 0.00 C ATOM 802 O ILE A 51 3.208 18.594 -11.429 1.00 0.00 O ATOM 803 CB ILE A 51 4.255 16.263 -9.611 1.00 0.00 C ATOM 804 CG1 ILE A 51 5.586 15.676 -9.121 1.00 0.00 C ATOM 805 CG2 ILE A 51 4.182 15.901 -11.097 1.00 0.00 C ATOM 806 CD1 ILE A 51 5.684 15.608 -7.603 1.00 0.00 C ATOM 0 H ILE A 51 3.823 17.292 -7.378 1.00 0.00 H new ATOM 0 HA ILE A 51 5.140 18.197 -9.713 1.00 0.00 H new ATOM 0 HB ILE A 51 3.409 15.858 -9.056 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.708 14.674 -9.533 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.407 16.281 -9.506 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.235 14.818 -11.211 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.243 16.264 -11.514 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.016 16.363 -11.625 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.647 15.184 -7.319 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.592 16.611 -7.187 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.883 14.980 -7.214 1.00 0.00 H new ATOM 1635 N MET C 1 12.062 0.113 -7.811 1.00 0.00 N ATOM 1636 CA MET C 1 11.657 0.153 -6.394 1.00 0.00 C ATOM 1637 C MET C 1 11.755 1.568 -5.849 1.00 0.00 C ATOM 1638 O MET C 1 12.816 2.173 -5.919 1.00 0.00 O ATOM 1639 CB MET C 1 12.541 -0.761 -5.543 1.00 0.00 C ATOM 1640 CG MET C 1 12.218 -0.616 -4.058 1.00 0.00 C ATOM 1641 SD MET C 1 10.575 -1.195 -3.581 1.00 0.00 S ATOM 1642 CE MET C 1 10.982 -2.948 -3.402 1.00 0.00 C ATOM 0 H1 MET C 1 11.988 -0.862 -8.166 1.00 0.00 H new ATOM 0 H2 MET C 1 11.439 0.732 -8.368 1.00 0.00 H new ATOM 0 H3 MET C 1 13.045 0.441 -7.900 1.00 0.00 H new ATOM 0 HA MET C 1 10.624 -0.192 -6.342 1.00 0.00 H new ATOM 0 HB2 MET C 1 12.398 -1.797 -5.849 1.00 0.00 H new ATOM 0 HB3 MET C 1 13.590 -0.520 -5.715 1.00 0.00 H new ATOM 0 HG2 MET C 1 12.963 -1.166 -3.483 1.00 0.00 H new ATOM 0 HG3 MET C 1 12.313 0.434 -3.781 1.00 0.00 H new ATOM 0 HE1 MET C 1 10.090 -3.500 -3.106 1.00 0.00 H new ATOM 0 HE2 MET C 1 11.350 -3.335 -4.352 1.00 0.00 H new ATOM 0 HE3 MET C 1 11.752 -3.067 -2.640 1.00 0.00 H new ATOM 1654 N LEU C 2 10.659 2.096 -5.306 1.00 0.00 N ATOM 1655 CA LEU C 2 10.651 3.408 -4.684 1.00 0.00 C ATOM 1656 C LEU C 2 10.019 3.254 -3.304 1.00 0.00 C ATOM 1657 O LEU C 2 8.820 3.003 -3.192 1.00 0.00 O ATOM 1658 CB LEU C 2 9.887 4.371 -5.596 1.00 0.00 C ATOM 1659 CG LEU C 2 10.001 5.860 -5.231 1.00 0.00 C ATOM 1660 CD1 LEU C 2 8.760 6.291 -4.471 1.00 0.00 C ATOM 1661 CD2 LEU C 2 11.208 6.219 -4.365 1.00 0.00 C ATOM 0 H LEU C 2 9.756 1.623 -5.288 1.00 0.00 H new ATOM 0 HA LEU C 2 11.651 3.821 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.244 4.237 -6.617 1.00 0.00 H new ATOM 0 HB3 LEU C 2 8.833 4.093 -5.588 1.00 0.00 H new ATOM 0 HG LEU C 2 10.118 6.376 -6.184 1.00 0.00 H new ATOM 0 HD11 LEU C 2 8.840 7.347 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU C 2 7.879 6.136 -5.095 1.00 0.00 H new ATOM 0 HD13 LEU C 2 8.668 5.700 -3.560 1.00 0.00 H new ATOM 0 HD21 LEU C 2 11.203 7.290 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.158 5.669 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.125 5.955 -4.891 1.00 0.00 H new ATOM 1673 N ILE C 3 10.833 3.403 -2.256 1.00 0.00 N ATOM 1674 CA ILE C 3 10.385 3.290 -0.879 1.00 0.00 C ATOM 1675 C ILE C 3 9.911 4.647 -0.384 1.00 0.00 C ATOM 1676 O ILE C 3 10.449 5.679 -0.778 1.00 0.00 O ATOM 1677 CB ILE C 3 11.517 2.797 0.043 1.00 0.00 C ATOM 1678 CG1 ILE C 3 11.959 1.368 -0.275 1.00 0.00 C ATOM 1679 CG2 ILE C 3 11.000 2.787 1.485 1.00 0.00 C ATOM 1680 CD1 ILE C 3 13.060 1.332 -1.326 1.00 0.00 C ATOM 0 H ILE C 3 11.828 3.607 -2.347 1.00 0.00 H new ATOM 0 HA ILE C 3 9.571 2.566 -0.852 1.00 0.00 H new ATOM 0 HB ILE C 3 12.363 3.468 -0.103 1.00 0.00 H new ATOM 0 HG12 ILE C 3 12.312 0.886 0.637 1.00 0.00 H new ATOM 0 HG13 ILE C 3 11.102 0.794 -0.628 1.00 0.00 H new ATOM 0 HG21 ILE C 3 11.789 2.440 2.152 1.00 0.00 H new ATOM 0 HG22 ILE C 3 10.700 3.795 1.771 1.00 0.00 H new ATOM 0 HG23 ILE C 3 10.142 2.118 1.559 1.00 0.00 H new ATOM 0 HD11 ILE C 3 13.343 0.298 -1.521 1.00 0.00 H new ATOM 0 HD12 ILE C 3 12.699 1.789 -2.247 1.00 0.00 H new ATOM 0 HD13 ILE C 3 13.927 1.883 -0.963 1.00 0.00 H new ATOM 1692 N LEU C 4 8.905 4.630 0.488 1.00 0.00 N ATOM 1693 CA LEU C 4 8.419 5.799 1.190 1.00 0.00 C ATOM 1694 C LEU C 4 8.093 5.378 2.622 1.00 0.00 C ATOM 1695 O LEU C 4 7.885 4.192 2.893 1.00 0.00 O ATOM 1696 CB LEU C 4 7.175 6.359 0.484 1.00 0.00 C ATOM 1697 CG LEU C 4 7.465 6.871 -0.933 1.00 0.00 C ATOM 1698 CD1 LEU C 4 6.165 7.270 -1.624 1.00 0.00 C ATOM 1699 CD2 LEU C 4 8.367 8.103 -0.912 1.00 0.00 C ATOM 0 H LEU C 4 8.398 3.778 0.727 1.00 0.00 H new ATOM 0 HA LEU C 4 9.173 6.587 1.198 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.413 5.582 0.434 1.00 0.00 H new ATOM 0 HB3 LEU C 4 6.762 7.173 1.080 1.00 0.00 H new ATOM 0 HG LEU C 4 7.962 6.061 -1.467 1.00 0.00 H new ATOM 0 HD11 LEU C 4 6.383 7.632 -2.629 1.00 0.00 H new ATOM 0 HD12 LEU C 4 5.505 6.405 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU C 4 5.676 8.059 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU C 4 8.550 8.437 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU C 4 7.880 8.901 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU C 4 9.315 7.852 -0.437 1.00 0.00 H new ATOM 1711 N THR C 5 8.050 6.345 3.539 1.00 0.00 N ATOM 1712 CA THR C 5 7.706 6.089 4.930 1.00 0.00 C ATOM 1713 C THR C 5 6.515 6.930 5.332 1.00 0.00 C ATOM 1714 O THR C 5 6.371 8.070 4.895 1.00 0.00 O ATOM 1715 CB THR C 5 8.869 6.415 5.871 1.00 0.00 C ATOM 1716 OG1 THR C 5 9.440 7.660 5.534 1.00 0.00 O ATOM 1717 CG2 THR C 5 9.939 5.336 5.813 1.00 0.00 C ATOM 0 H THR C 5 8.253 7.324 3.335 1.00 0.00 H new ATOM 0 HA THR C 5 7.472 5.028 5.015 1.00 0.00 H new ATOM 0 HB THR C 5 8.472 6.460 6.885 1.00 0.00 H new ATOM 0 HG1 THR C 5 10.181 7.856 6.145 1.00 0.00 H new ATOM 0 HG21 THR C 5 10.753 5.594 6.491 1.00 0.00 H new ATOM 0 HG22 THR C 5 9.508 4.380 6.110 1.00 0.00 H new ATOM 0 HG23 THR C 5 10.324 5.260 4.796 1.00 0.00 H new ATOM 1725 N ARG C 6 5.652 6.358 6.170 1.00 0.00 N ATOM 1726 CA ARG C 6 4.491 7.075 6.686 1.00 0.00 C ATOM 1727 C ARG C 6 4.027 6.477 8.008 1.00 0.00 C ATOM 1728 O ARG C 6 4.381 5.344 8.325 1.00 0.00 O ATOM 1729 CB ARG C 6 3.389 7.013 5.630 1.00 0.00 C ATOM 1730 CG ARG C 6 3.005 5.566 5.319 1.00 0.00 C ATOM 1731 CD ARG C 6 2.339 5.475 3.952 1.00 0.00 C ATOM 1732 NE ARG C 6 0.941 5.902 3.966 1.00 0.00 N ATOM 1733 CZ ARG C 6 0.023 5.357 3.161 1.00 0.00 C ATOM 1734 NH1 ARG C 6 0.342 4.378 2.319 1.00 0.00 N ATOM 1735 NH2 ARG C 6 -1.228 5.788 3.186 1.00 0.00 N ATOM 0 H ARG C 6 5.737 5.398 6.506 1.00 0.00 H new ATOM 0 HA ARG C 6 4.750 8.115 6.885 1.00 0.00 H new ATOM 0 HB2 ARG C 6 2.513 7.557 5.982 1.00 0.00 H new ATOM 0 HB3 ARG C 6 3.726 7.507 4.719 1.00 0.00 H new ATOM 0 HG2 ARG C 6 3.893 4.935 5.340 1.00 0.00 H new ATOM 0 HG3 ARG C 6 2.328 5.190 6.086 1.00 0.00 H new ATOM 0 HD2 ARG C 6 2.893 6.090 3.243 1.00 0.00 H new ATOM 0 HD3 ARG C 6 2.395 4.447 3.595 1.00 0.00 H new ATOM 0 HE ARG C 6 0.657 6.640 4.611 1.00 0.00 H new ATOM 0 HH11 ARG C 6 1.300 4.031 2.280 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -0.372 3.974 1.712 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -1.496 6.540 3.822 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -1.924 5.369 2.570 1.00 0.00 H new ATOM 1749 N LYS C 7 3.236 7.237 8.768 1.00 0.00 N ATOM 1750 CA LYS C 7 2.676 6.795 10.042 1.00 0.00 C ATOM 1751 C LYS C 7 1.235 6.360 9.791 1.00 0.00 C ATOM 1752 O LYS C 7 0.679 6.688 8.744 1.00 0.00 O ATOM 1753 CB LYS C 7 2.722 7.956 11.046 1.00 0.00 C ATOM 1754 CG LYS C 7 3.289 7.573 12.416 1.00 0.00 C ATOM 1755 CD LYS C 7 4.784 7.238 12.341 1.00 0.00 C ATOM 1756 CE LYS C 7 5.374 6.996 13.733 1.00 0.00 C ATOM 1757 NZ LYS C 7 5.325 8.209 14.571 1.00 0.00 N ATOM 0 H LYS C 7 2.965 8.186 8.512 1.00 0.00 H new ATOM 0 HA LYS C 7 3.247 5.963 10.454 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.325 8.761 10.627 1.00 0.00 H new ATOM 0 HB3 LYS C 7 1.714 8.348 11.178 1.00 0.00 H new ATOM 0 HG2 LYS C 7 3.135 8.395 13.115 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.743 6.715 12.808 1.00 0.00 H new ATOM 0 HD2 LYS C 7 4.929 6.351 11.724 1.00 0.00 H new ATOM 0 HD3 LYS C 7 5.317 8.055 11.855 1.00 0.00 H new ATOM 0 HE2 LYS C 7 4.825 6.193 14.225 1.00 0.00 H new ATOM 0 HE3 LYS C 7 6.407 6.663 13.636 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 5.962 8.094 15.385 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.626 9.031 14.010 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 4.353 8.358 14.910 1.00 0.00 H new ATOM 1771 N VAL C 8 0.605 5.631 10.715 1.00 0.00 N ATOM 1772 CA VAL C 8 -0.800 5.286 10.501 1.00 0.00 C ATOM 1773 C VAL C 8 -1.634 6.564 10.385 1.00 0.00 C ATOM 1774 O VAL C 8 -1.404 7.529 11.115 1.00 0.00 O ATOM 1775 CB VAL C 8 -1.325 4.339 11.585 1.00 0.00 C ATOM 1776 CG1 VAL C 8 -0.469 3.070 11.618 1.00 0.00 C ATOM 1777 CG2 VAL C 8 -1.330 4.965 12.977 1.00 0.00 C ATOM 0 H VAL C 8 1.021 5.283 11.579 1.00 0.00 H new ATOM 0 HA VAL C 8 -0.888 4.739 9.562 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.358 4.110 11.325 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -0.844 2.398 12.390 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -0.518 2.573 10.649 1.00 0.00 H new ATOM 0 HG13 VAL C 8 0.565 3.334 11.839 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -1.713 4.244 13.699 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -0.314 5.249 13.252 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.967 5.850 12.976 1.00 0.00 H new ATOM 1787 N GLY C 9 -2.606 6.568 9.466 1.00 0.00 N ATOM 1788 CA GLY C 9 -3.467 7.713 9.204 1.00 0.00 C ATOM 1789 C GLY C 9 -2.991 8.551 8.013 1.00 0.00 C ATOM 1790 O GLY C 9 -3.693 9.469 7.599 1.00 0.00 O ATOM 0 H GLY C 9 -2.815 5.761 8.878 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -4.482 7.363 9.014 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -3.508 8.343 10.093 1.00 0.00 H new ATOM 1794 N GLU C 10 -1.811 8.249 7.461 1.00 0.00 N ATOM 1795 CA GLU C 10 -1.218 8.999 6.354 1.00 0.00 C ATOM 1796 C GLU C 10 -1.704 8.515 4.979 1.00 0.00 C ATOM 1797 O GLU C 10 -2.632 7.708 4.882 1.00 0.00 O ATOM 1798 CB GLU C 10 0.303 8.883 6.453 1.00 0.00 C ATOM 1799 CG GLU C 10 0.836 9.657 7.661 1.00 0.00 C ATOM 1800 CD GLU C 10 0.581 11.156 7.511 1.00 0.00 C ATOM 1801 OE1 GLU C 10 0.981 11.700 6.458 1.00 0.00 O ATOM 1802 OE2 GLU C 10 -0.009 11.743 8.445 1.00 0.00 O ATOM 0 H GLU C 10 -1.236 7.467 7.776 1.00 0.00 H new ATOM 0 HA GLU C 10 -1.533 10.039 6.438 1.00 0.00 H new ATOM 0 HB2 GLU C 10 0.586 7.834 6.535 1.00 0.00 H new ATOM 0 HB3 GLU C 10 0.760 9.266 5.541 1.00 0.00 H new ATOM 0 HG2 GLU C 10 0.357 9.293 8.570 1.00 0.00 H new ATOM 0 HG3 GLU C 10 1.905 9.476 7.770 1.00 0.00 H new ATOM 1809 N SER C 11 -1.067 9.015 3.911 1.00 0.00 N ATOM 1810 CA SER C 11 -1.520 8.838 2.537 1.00 0.00 C ATOM 1811 C SER C 11 -0.340 8.840 1.563 1.00 0.00 C ATOM 1812 O SER C 11 0.728 9.368 1.871 1.00 0.00 O ATOM 1813 CB SER C 11 -2.470 9.978 2.169 1.00 0.00 C ATOM 1814 OG SER C 11 -3.584 9.998 3.039 1.00 0.00 O ATOM 0 H SER C 11 -0.209 9.562 3.986 1.00 0.00 H new ATOM 0 HA SER C 11 -2.030 7.877 2.465 1.00 0.00 H new ATOM 0 HB2 SER C 11 -1.942 10.930 2.223 1.00 0.00 H new ATOM 0 HB3 SER C 11 -2.808 9.859 1.140 1.00 0.00 H new ATOM 0 HG SER C 11 -4.180 10.735 2.790 1.00 0.00 H new ATOM 1820 N ILE C 12 -0.549 8.244 0.382 1.00 0.00 N ATOM 1821 CA ILE C 12 0.427 8.132 -0.704 1.00 0.00 C ATOM 1822 C ILE C 12 -0.333 8.234 -2.031 1.00 0.00 C ATOM 1823 O ILE C 12 -1.556 8.111 -2.040 1.00 0.00 O ATOM 1824 CB ILE C 12 1.171 6.782 -0.579 1.00 0.00 C ATOM 1825 CG1 ILE C 12 1.991 6.694 0.714 1.00 0.00 C ATOM 1826 CG2 ILE C 12 2.100 6.500 -1.765 1.00 0.00 C ATOM 1827 CD1 ILE C 12 3.156 7.682 0.766 1.00 0.00 C ATOM 0 H ILE C 12 -1.442 7.809 0.150 1.00 0.00 H new ATOM 0 HA ILE C 12 1.170 8.928 -0.657 1.00 0.00 H new ATOM 0 HB ILE C 12 0.384 6.028 -0.565 1.00 0.00 H new ATOM 0 HG12 ILE C 12 1.334 6.875 1.565 1.00 0.00 H new ATOM 0 HG13 ILE C 12 2.379 5.681 0.820 1.00 0.00 H new ATOM 0 HG21 ILE C 12 2.594 5.539 -1.620 1.00 0.00 H new ATOM 0 HG22 ILE C 12 1.517 6.473 -2.686 1.00 0.00 H new ATOM 0 HG23 ILE C 12 2.851 7.287 -1.834 1.00 0.00 H new ATOM 0 HD11 ILE C 12 3.692 7.564 1.708 1.00 0.00 H new ATOM 0 HD12 ILE C 12 3.835 7.488 -0.064 1.00 0.00 H new ATOM 0 HD13 ILE C 12 2.773 8.700 0.691 1.00 0.00 H new ATOM 1839 N ASN C 13 0.361 8.458 -3.153 1.00 0.00 N ATOM 1840 CA ASN C 13 -0.295 8.615 -4.444 1.00 0.00 C ATOM 1841 C ASN C 13 0.378 7.771 -5.531 1.00 0.00 C ATOM 1842 O ASN C 13 1.575 7.495 -5.453 1.00 0.00 O ATOM 1843 CB ASN C 13 -0.258 10.090 -4.845 1.00 0.00 C ATOM 1844 CG ASN C 13 -1.286 10.380 -5.926 1.00 0.00 C ATOM 1845 OD1 ASN C 13 -0.957 10.438 -7.108 1.00 0.00 O ATOM 1846 ND2 ASN C 13 -2.537 10.561 -5.517 1.00 0.00 N ATOM 0 H ASN C 13 1.378 8.534 -3.187 1.00 0.00 H new ATOM 0 HA ASN C 13 -1.325 8.270 -4.348 1.00 0.00 H new ATOM 0 HB2 ASN C 13 -0.454 10.714 -3.973 1.00 0.00 H new ATOM 0 HB3 ASN C 13 0.738 10.349 -5.205 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -3.272 10.758 -6.196 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -2.762 10.503 -4.524 1.00 0.00 H new ATOM 1853 N ILE C 14 -0.403 7.368 -6.540 1.00 0.00 N ATOM 1854 CA ILE C 14 0.075 6.569 -7.660 1.00 0.00 C ATOM 1855 C ILE C 14 -0.665 7.004 -8.924 1.00 0.00 C ATOM 1856 O ILE C 14 -1.861 7.295 -8.883 1.00 0.00 O ATOM 1857 CB ILE C 14 -0.156 5.073 -7.389 1.00 0.00 C ATOM 1858 CG1 ILE C 14 0.539 4.652 -6.088 1.00 0.00 C ATOM 1859 CG2 ILE C 14 0.369 4.242 -8.563 1.00 0.00 C ATOM 1860 CD1 ILE C 14 0.314 3.175 -5.755 1.00 0.00 C ATOM 0 H ILE C 14 -1.396 7.594 -6.597 1.00 0.00 H new ATOM 0 HA ILE C 14 1.146 6.724 -7.791 1.00 0.00 H new ATOM 0 HB ILE C 14 -1.226 4.897 -7.282 1.00 0.00 H new ATOM 0 HG12 ILE C 14 1.609 4.843 -6.173 1.00 0.00 H new ATOM 0 HG13 ILE C 14 0.170 5.267 -5.267 1.00 0.00 H new ATOM 0 HG21 ILE C 14 0.202 3.184 -8.363 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -0.157 4.527 -9.474 1.00 0.00 H new ATOM 0 HG23 ILE C 14 1.437 4.423 -8.688 1.00 0.00 H new ATOM 0 HD11 ILE C 14 0.827 2.929 -4.825 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.753 2.986 -5.641 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.708 2.556 -6.561 1.00 0.00 H new ATOM 1872 N GLY C 15 0.051 7.045 -10.050 1.00 0.00 N ATOM 1873 CA GLY C 15 -0.513 7.483 -11.315 1.00 0.00 C ATOM 1874 C GLY C 15 -1.102 8.884 -11.168 1.00 0.00 C ATOM 1875 O GLY C 15 -0.515 9.748 -10.515 1.00 0.00 O ATOM 0 H GLY C 15 1.033 6.775 -10.104 1.00 0.00 H new ATOM 0 HA2 GLY C 15 0.258 7.483 -12.086 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -1.287 6.787 -11.638 1.00 0.00 H new ATOM 1879 N ASP C 16 -2.266 9.094 -11.779 1.00 0.00 N ATOM 1880 CA ASP C 16 -3.010 10.342 -11.677 1.00 0.00 C ATOM 1881 C ASP C 16 -4.469 10.030 -11.322 1.00 0.00 C ATOM 1882 O ASP C 16 -5.325 10.913 -11.369 1.00 0.00 O ATOM 1883 CB ASP C 16 -2.906 11.117 -12.993 1.00 0.00 C ATOM 1884 CG ASP C 16 -1.465 11.508 -13.309 1.00 0.00 C ATOM 1885 OD1 ASP C 16 -1.015 12.541 -12.763 1.00 0.00 O ATOM 1886 OD2 ASP C 16 -0.825 10.770 -14.092 1.00 0.00 O ATOM 0 H ASP C 16 -2.722 8.394 -12.364 1.00 0.00 H new ATOM 0 HA ASP C 16 -2.590 10.967 -10.889 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -3.304 10.509 -13.805 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -3.522 12.015 -12.936 1.00 0.00 H new ATOM 1891 N ASP C 17 -4.752 8.772 -10.966 1.00 0.00 N ATOM 1892 CA ASP C 17 -6.105 8.299 -10.706 1.00 0.00 C ATOM 1893 C ASP C 17 -6.153 7.335 -9.518 1.00 0.00 C ATOM 1894 O ASP C 17 -7.196 6.725 -9.283 1.00 0.00 O ATOM 1895 CB ASP C 17 -6.660 7.613 -11.960 1.00 0.00 C ATOM 1896 CG ASP C 17 -6.732 8.570 -13.146 1.00 0.00 C ATOM 1897 OD1 ASP C 17 -7.719 9.337 -13.212 1.00 0.00 O ATOM 1898 OD2 ASP C 17 -5.801 8.530 -13.982 1.00 0.00 O ATOM 0 H ASP C 17 -4.039 8.052 -10.851 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.720 9.163 -10.453 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -6.029 6.762 -12.218 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -7.655 7.220 -11.749 1.00 0.00 H new ATOM 1903 N ILE C 18 -5.051 7.180 -8.766 1.00 0.00 N ATOM 1904 CA ILE C 18 -5.027 6.279 -7.623 1.00 0.00 C ATOM 1905 C ILE C 18 -4.431 6.981 -6.404 1.00 0.00 C ATOM 1906 O ILE C 18 -3.517 7.792 -6.529 1.00 0.00 O ATOM 1907 CB ILE C 18 -4.227 5.006 -7.951 1.00 0.00 C ATOM 1908 CG1 ILE C 18 -4.785 4.251 -9.168 1.00 0.00 C ATOM 1909 CG2 ILE C 18 -4.253 4.064 -6.745 1.00 0.00 C ATOM 1910 CD1 ILE C 18 -4.104 4.710 -10.456 1.00 0.00 C ATOM 0 H ILE C 18 -4.172 7.669 -8.936 1.00 0.00 H new ATOM 0 HA ILE C 18 -6.053 5.991 -7.393 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.211 5.322 -8.187 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -4.636 3.179 -9.035 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -5.860 4.417 -9.242 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -3.687 3.162 -6.976 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.807 4.562 -5.884 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -5.284 3.796 -6.515 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -4.517 4.160 -11.302 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.276 5.777 -10.598 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -3.033 4.521 -10.389 1.00 0.00 H new ATOM 1922 N THR C 19 -4.962 6.654 -5.226 1.00 0.00 N ATOM 1923 CA THR C 19 -4.492 7.179 -3.953 1.00 0.00 C ATOM 1924 C THR C 19 -4.540 6.049 -2.932 1.00 0.00 C ATOM 1925 O THR C 19 -5.310 5.104 -3.096 1.00 0.00 O ATOM 1926 CB THR C 19 -5.373 8.360 -3.521 1.00 0.00 C ATOM 1927 OG1 THR C 19 -5.457 9.305 -4.562 1.00 0.00 O ATOM 1928 CG2 THR C 19 -4.798 9.062 -2.293 1.00 0.00 C ATOM 0 H THR C 19 -5.744 6.006 -5.133 1.00 0.00 H new ATOM 0 HA THR C 19 -3.469 7.546 -4.037 1.00 0.00 H new ATOM 0 HB THR C 19 -6.358 7.960 -3.282 1.00 0.00 H new ATOM 0 HG1 THR C 19 -6.022 10.054 -4.279 1.00 0.00 H new ATOM 0 HG21 THR C 19 -5.445 9.893 -2.013 1.00 0.00 H new ATOM 0 HG22 THR C 19 -4.736 8.355 -1.465 1.00 0.00 H new ATOM 0 HG23 THR C 19 -3.802 9.439 -2.523 1.00 0.00 H new ATOM 1936 N ILE C 20 -3.724 6.142 -1.879 1.00 0.00 N ATOM 1937 CA ILE C 20 -3.583 5.077 -0.895 1.00 0.00 C ATOM 1938 C ILE C 20 -3.712 5.672 0.507 1.00 0.00 C ATOM 1939 O ILE C 20 -3.349 6.826 0.727 1.00 0.00 O ATOM 1940 CB ILE C 20 -2.206 4.409 -1.058 1.00 0.00 C ATOM 1941 CG1 ILE C 20 -1.896 4.003 -2.508 1.00 0.00 C ATOM 1942 CG2 ILE C 20 -2.083 3.186 -0.143 1.00 0.00 C ATOM 1943 CD1 ILE C 20 -2.798 2.880 -3.017 1.00 0.00 C ATOM 0 H ILE C 20 -3.144 6.960 -1.689 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.361 4.328 -1.043 1.00 0.00 H new ATOM 0 HB ILE C 20 -1.472 5.162 -0.770 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -2.007 4.873 -3.155 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -0.855 3.686 -2.577 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -1.102 2.730 -0.275 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -2.203 3.495 0.895 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.857 2.462 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -2.531 2.637 -4.046 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -2.669 1.997 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.838 3.203 -2.978 1.00 0.00 H new ATOM 1955 N THR C 21 -4.228 4.884 1.452 1.00 0.00 N ATOM 1956 CA THR C 21 -4.400 5.302 2.836 1.00 0.00 C ATOM 1957 C THR C 21 -3.911 4.185 3.752 1.00 0.00 C ATOM 1958 O THR C 21 -4.025 3.010 3.409 1.00 0.00 O ATOM 1959 CB THR C 21 -5.877 5.618 3.097 1.00 0.00 C ATOM 1960 OG1 THR C 21 -6.364 6.497 2.109 1.00 0.00 O ATOM 1961 CG2 THR C 21 -6.071 6.283 4.460 1.00 0.00 C ATOM 0 H THR C 21 -4.540 3.930 1.272 1.00 0.00 H new ATOM 0 HA THR C 21 -3.819 6.203 3.035 1.00 0.00 H new ATOM 0 HB THR C 21 -6.421 4.674 3.075 1.00 0.00 H new ATOM 0 HG1 THR C 21 -7.309 6.693 2.282 1.00 0.00 H new ATOM 0 HG21 THR C 21 -7.129 6.494 4.615 1.00 0.00 H new ATOM 0 HG22 THR C 21 -5.716 5.615 5.245 1.00 0.00 H new ATOM 0 HG23 THR C 21 -5.506 7.215 4.494 1.00 0.00 H new ATOM 1969 N ILE C 22 -3.365 4.540 4.913 1.00 0.00 N ATOM 1970 CA ILE C 22 -2.870 3.558 5.876 1.00 0.00 C ATOM 1971 C ILE C 22 -3.771 3.579 7.103 1.00 0.00 C ATOM 1972 O ILE C 22 -3.548 4.335 8.048 1.00 0.00 O ATOM 1973 CB ILE C 22 -1.377 3.783 6.170 1.00 0.00 C ATOM 1974 CG1 ILE C 22 -0.855 2.903 7.308 1.00 0.00 C ATOM 1975 CG2 ILE C 22 -1.059 5.232 6.535 1.00 0.00 C ATOM 1976 CD1 ILE C 22 -1.025 1.421 7.000 1.00 0.00 C ATOM 0 H ILE C 22 -3.254 5.509 5.212 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.919 2.549 5.466 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.880 3.515 5.237 1.00 0.00 H new ATOM 0 HG12 ILE C 22 0.199 3.120 7.481 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -1.386 3.146 8.228 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.008 5.332 6.732 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -1.338 5.885 5.708 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -1.620 5.514 7.426 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -0.642 0.830 7.832 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -2.082 1.199 6.853 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -0.472 1.172 6.094 1.00 0.00 H new ATOM 1988 N LEU C 23 -4.805 2.735 7.089 1.00 0.00 N ATOM 1989 CA LEU C 23 -5.795 2.711 8.152 1.00 0.00 C ATOM 1990 C LEU C 23 -5.164 2.288 9.477 1.00 0.00 C ATOM 1991 O LEU C 23 -5.640 2.699 10.536 1.00 0.00 O ATOM 1992 CB LEU C 23 -6.948 1.775 7.787 1.00 0.00 C ATOM 1993 CG LEU C 23 -7.497 2.005 6.376 1.00 0.00 C ATOM 1994 CD1 LEU C 23 -8.731 1.139 6.189 1.00 0.00 C ATOM 1995 CD2 LEU C 23 -7.908 3.454 6.132 1.00 0.00 C ATOM 0 H LEU C 23 -4.973 2.058 6.345 1.00 0.00 H new ATOM 0 HA LEU C 23 -6.189 3.720 8.271 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.609 0.743 7.873 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.755 1.906 8.508 1.00 0.00 H new ATOM 0 HG LEU C 23 -6.702 1.753 5.674 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -9.134 1.292 5.188 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -8.462 0.090 6.316 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -9.483 1.413 6.929 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -8.289 3.558 5.116 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.685 3.736 6.842 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -7.043 4.104 6.263 1.00 0.00 H new ATOM 2007 N GLY C 24 -4.104 1.475 9.434 1.00 0.00 N ATOM 2008 CA GLY C 24 -3.376 1.143 10.652 1.00 0.00 C ATOM 2009 C GLY C 24 -2.624 -0.180 10.566 1.00 0.00 C ATOM 2010 O GLY C 24 -2.502 -0.761 9.489 1.00 0.00 O ATOM 0 H GLY C 24 -3.740 1.044 8.584 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -2.667 1.942 10.872 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -4.077 1.100 11.485 1.00 0.00 H new ATOM 2014 N VAL C 25 -2.119 -0.651 11.710 1.00 0.00 N ATOM 2015 CA VAL C 25 -1.427 -1.933 11.797 1.00 0.00 C ATOM 2016 C VAL C 25 -1.966 -2.737 12.975 1.00 0.00 C ATOM 2017 O VAL C 25 -2.609 -2.187 13.866 1.00 0.00 O ATOM 2018 CB VAL C 25 0.097 -1.742 11.919 1.00 0.00 C ATOM 2019 CG1 VAL C 25 0.610 -0.670 10.955 1.00 0.00 C ATOM 2020 CG2 VAL C 25 0.503 -1.354 13.343 1.00 0.00 C ATOM 0 H VAL C 25 -2.180 -0.153 12.598 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.615 -2.485 10.876 1.00 0.00 H new ATOM 0 HB VAL C 25 0.546 -2.702 11.663 1.00 0.00 H new ATOM 0 HG11 VAL C 25 1.689 -0.563 11.070 1.00 0.00 H new ATOM 0 HG12 VAL C 25 0.381 -0.963 9.930 1.00 0.00 H new ATOM 0 HG13 VAL C 25 0.126 0.281 11.177 1.00 0.00 H new ATOM 0 HG21 VAL C 25 1.585 -1.228 13.391 1.00 0.00 H new ATOM 0 HG22 VAL C 25 0.016 -0.419 13.618 1.00 0.00 H new ATOM 0 HG23 VAL C 25 0.198 -2.139 14.035 1.00 0.00 H new ATOM 2030 N SER C 26 -1.694 -4.045 12.973 1.00 0.00 N ATOM 2031 CA SER C 26 -2.079 -4.960 14.039 1.00 0.00 C ATOM 2032 C SER C 26 -1.065 -6.094 14.081 1.00 0.00 C ATOM 2033 O SER C 26 -1.067 -6.959 13.206 1.00 0.00 O ATOM 2034 CB SER C 26 -3.481 -5.525 13.771 1.00 0.00 C ATOM 2035 OG SER C 26 -4.451 -4.499 13.844 1.00 0.00 O ATOM 0 H SER C 26 -1.190 -4.502 12.213 1.00 0.00 H new ATOM 0 HA SER C 26 -2.098 -4.433 14.993 1.00 0.00 H new ATOM 0 HB2 SER C 26 -3.509 -5.991 12.786 1.00 0.00 H new ATOM 0 HB3 SER C 26 -3.711 -6.303 14.499 1.00 0.00 H new ATOM 0 HG SER C 26 -5.339 -4.875 13.669 1.00 0.00 H new ATOM 2041 N GLY C 27 -0.199 -6.095 15.094 1.00 0.00 N ATOM 2042 CA GLY C 27 0.899 -7.044 15.161 1.00 0.00 C ATOM 2043 C GLY C 27 1.875 -6.766 14.032 1.00 0.00 C ATOM 2044 O GLY C 27 2.721 -5.884 14.156 1.00 0.00 O ATOM 0 H GLY C 27 -0.242 -5.445 15.879 1.00 0.00 H new ATOM 0 HA2 GLY C 27 1.406 -6.963 16.123 1.00 0.00 H new ATOM 0 HA3 GLY C 27 0.519 -8.063 15.085 1.00 0.00 H new ATOM 2048 N GLN C 28 1.754 -7.517 12.937 1.00 0.00 N ATOM 2049 CA GLN C 28 2.539 -7.302 11.728 1.00 0.00 C ATOM 2050 C GLN C 28 1.627 -7.139 10.521 1.00 0.00 C ATOM 2051 O GLN C 28 2.119 -6.951 9.407 1.00 0.00 O ATOM 2052 CB GLN C 28 3.509 -8.461 11.498 1.00 0.00 C ATOM 2053 CG GLN C 28 4.674 -8.497 12.485 1.00 0.00 C ATOM 2054 CD GLN C 28 5.569 -7.262 12.388 1.00 0.00 C ATOM 2055 OE1 GLN C 28 6.621 -7.304 11.759 1.00 0.00 O ATOM 2056 NE2 GLN C 28 5.168 -6.151 13.003 1.00 0.00 N ATOM 0 H GLN C 28 1.102 -8.298 12.867 1.00 0.00 H new ATOM 0 HA GLN C 28 3.116 -6.387 11.859 1.00 0.00 H new ATOM 0 HB2 GLN C 28 2.960 -9.400 11.564 1.00 0.00 H new ATOM 0 HB3 GLN C 28 3.906 -8.395 10.485 1.00 0.00 H new ATOM 0 HG2 GLN C 28 4.283 -8.578 13.499 1.00 0.00 H new ATOM 0 HG3 GLN C 28 5.272 -9.389 12.302 1.00 0.00 H new ATOM 0 HE21 GLN C 28 4.288 -6.143 13.520 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.740 -5.308 12.957 1.00 0.00 H new ATOM 2065 N GLN C 29 0.306 -7.205 10.725 1.00 0.00 N ATOM 2066 CA GLN C 29 -0.634 -6.890 9.667 1.00 0.00 C ATOM 2067 C GLN C 29 -0.635 -5.387 9.454 1.00 0.00 C ATOM 2068 O GLN C 29 -0.225 -4.619 10.325 1.00 0.00 O ATOM 2069 CB GLN C 29 -2.057 -7.307 10.031 1.00 0.00 C ATOM 2070 CG GLN C 29 -2.264 -8.814 9.953 1.00 0.00 C ATOM 2071 CD GLN C 29 -3.751 -9.122 10.021 1.00 0.00 C ATOM 2072 OE1 GLN C 29 -4.361 -9.474 9.020 1.00 0.00 O ATOM 2073 NE2 GLN C 29 -4.345 -8.986 11.205 1.00 0.00 N ATOM 0 H GLN C 29 -0.124 -7.473 11.610 1.00 0.00 H new ATOM 0 HA GLN C 29 -0.327 -7.430 8.772 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -2.285 -6.964 11.040 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -2.759 -6.812 9.360 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -1.843 -9.203 9.026 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -1.741 -9.307 10.772 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -3.803 -8.690 12.017 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -5.342 -9.177 11.300 1.00 0.00 H new ATOM 2082 N VAL C 30 -1.108 -4.976 8.281 1.00 0.00 N ATOM 2083 CA VAL C 30 -1.252 -3.579 7.933 1.00 0.00 C ATOM 2084 C VAL C 30 -2.557 -3.434 7.166 1.00 0.00 C ATOM 2085 O VAL C 30 -2.695 -4.007 6.086 1.00 0.00 O ATOM 2086 CB VAL C 30 -0.057 -3.153 7.072 1.00 0.00 C ATOM 2087 CG1 VAL C 30 -0.123 -1.653 6.803 1.00 0.00 C ATOM 2088 CG2 VAL C 30 1.270 -3.436 7.773 1.00 0.00 C ATOM 0 H VAL C 30 -1.403 -5.615 7.543 1.00 0.00 H new ATOM 0 HA VAL C 30 -1.274 -2.944 8.818 1.00 0.00 H new ATOM 0 HB VAL C 30 -0.108 -3.724 6.145 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.728 -1.355 6.191 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -1.048 -1.418 6.277 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.096 -1.112 7.749 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.094 -3.121 7.133 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.310 -2.885 8.713 1.00 0.00 H new ATOM 0 HG23 VAL C 30 1.355 -4.504 7.974 1.00 0.00 H new ATOM 2098 N ARG C 31 -3.515 -2.677 7.721 1.00 0.00 N ATOM 2099 CA ARG C 31 -4.729 -2.335 7.004 1.00 0.00 C ATOM 2100 C ARG C 31 -4.390 -1.197 6.055 1.00 0.00 C ATOM 2101 O ARG C 31 -4.112 -0.083 6.500 1.00 0.00 O ATOM 2102 CB ARG C 31 -5.842 -1.858 7.935 1.00 0.00 C ATOM 2103 CG ARG C 31 -6.600 -2.990 8.628 1.00 0.00 C ATOM 2104 CD ARG C 31 -7.905 -2.393 9.157 1.00 0.00 C ATOM 2105 NE ARG C 31 -8.666 -3.360 9.957 1.00 0.00 N ATOM 2106 CZ ARG C 31 -9.862 -3.104 10.498 1.00 0.00 C ATOM 2107 NH1 ARG C 31 -10.434 -1.911 10.356 1.00 0.00 N ATOM 2108 NH2 ARG C 31 -10.494 -4.045 11.191 1.00 0.00 N ATOM 0 H ARG C 31 -3.462 -2.295 8.665 1.00 0.00 H new ATOM 0 HA ARG C 31 -5.086 -3.225 6.487 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -5.412 -1.205 8.694 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.549 -1.258 7.362 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -6.802 -3.803 7.931 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -6.009 -3.409 9.443 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -7.683 -1.515 9.764 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -8.515 -2.055 8.319 1.00 0.00 H new ATOM 0 HE ARG C 31 -8.258 -4.282 10.109 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -9.960 -1.178 9.829 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -11.347 -1.730 10.774 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -10.067 -4.964 11.311 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -11.406 -3.849 11.603 1.00 0.00 H new ATOM 2122 N ILE C 32 -4.420 -1.493 4.754 1.00 0.00 N ATOM 2123 CA ILE C 32 -4.112 -0.529 3.720 1.00 0.00 C ATOM 2124 C ILE C 32 -5.369 -0.292 2.899 1.00 0.00 C ATOM 2125 O ILE C 32 -5.922 -1.232 2.328 1.00 0.00 O ATOM 2126 CB ILE C 32 -2.980 -1.053 2.822 1.00 0.00 C ATOM 2127 CG1 ILE C 32 -1.828 -1.607 3.668 1.00 0.00 C ATOM 2128 CG2 ILE C 32 -2.506 0.087 1.914 1.00 0.00 C ATOM 2129 CD1 ILE C 32 -0.623 -2.018 2.820 1.00 0.00 C ATOM 0 H ILE C 32 -4.661 -2.417 4.396 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.779 0.406 4.170 1.00 0.00 H new ATOM 0 HB ILE C 32 -3.348 -1.873 2.206 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -1.518 -0.853 4.392 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -2.180 -2.469 4.235 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -1.702 -0.271 1.271 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.337 0.432 1.299 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.141 0.912 2.526 1.00 0.00 H new ATOM 0 HD11 ILE C 32 0.164 -2.403 3.468 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -0.922 -2.792 2.113 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -0.251 -1.152 2.273 1.00 0.00 H new ATOM 2141 N GLY C 33 -5.817 0.962 2.845 1.00 0.00 N ATOM 2142 CA GLY C 33 -6.974 1.345 2.056 1.00 0.00 C ATOM 2143 C GLY C 33 -6.493 1.846 0.704 1.00 0.00 C ATOM 2144 O GLY C 33 -5.399 2.397 0.598 1.00 0.00 O ATOM 0 H GLY C 33 -5.384 1.736 3.349 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -7.643 0.494 1.928 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -7.541 2.123 2.568 1.00 0.00 H new ATOM 2148 N ILE C 34 -7.307 1.656 -0.332 1.00 0.00 N ATOM 2149 CA ILE C 34 -6.951 2.087 -1.674 1.00 0.00 C ATOM 2150 C ILE C 34 -8.150 2.788 -2.292 1.00 0.00 C ATOM 2151 O ILE C 34 -9.295 2.412 -2.042 1.00 0.00 O ATOM 2152 CB ILE C 34 -6.490 0.871 -2.498 1.00 0.00 C ATOM 2153 CG1 ILE C 34 -5.294 0.204 -1.798 1.00 0.00 C ATOM 2154 CG2 ILE C 34 -6.124 1.321 -3.916 1.00 0.00 C ATOM 2155 CD1 ILE C 34 -4.794 -1.034 -2.537 1.00 0.00 C ATOM 0 H ILE C 34 -8.219 1.205 -0.263 1.00 0.00 H new ATOM 0 HA ILE C 34 -6.121 2.794 -1.653 1.00 0.00 H new ATOM 0 HB ILE C 34 -7.296 0.141 -2.571 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -4.480 0.924 -1.713 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -5.581 -0.074 -0.784 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -5.798 0.459 -4.498 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -6.996 1.771 -4.391 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -5.318 2.053 -3.869 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -3.949 -1.463 -1.998 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.596 -1.769 -2.599 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -4.479 -0.755 -3.542 1.00 0.00 H new ATOM 2167 N ASN C 35 -7.882 3.810 -3.102 1.00 0.00 N ATOM 2168 CA ASN C 35 -8.916 4.629 -3.701 1.00 0.00 C ATOM 2169 C ASN C 35 -8.596 4.823 -5.179 1.00 0.00 C ATOM 2170 O ASN C 35 -7.742 5.631 -5.540 1.00 0.00 O ATOM 2171 CB ASN C 35 -9.005 5.952 -2.938 1.00 0.00 C ATOM 2172 CG ASN C 35 -10.224 6.772 -3.338 1.00 0.00 C ATOM 2173 OD1 ASN C 35 -10.860 6.516 -4.354 1.00 0.00 O ATOM 2174 ND2 ASN C 35 -10.556 7.772 -2.527 1.00 0.00 N ATOM 0 H ASN C 35 -6.935 4.089 -3.358 1.00 0.00 H new ATOM 0 HA ASN C 35 -9.892 4.148 -3.637 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -9.042 5.749 -1.868 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.102 6.535 -3.121 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.364 8.356 -2.742 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -10.003 7.955 -1.690 1.00 0.00 H new ATOM 2181 N ALA C 36 -9.297 4.067 -6.027 1.00 0.00 N ATOM 2182 CA ALA C 36 -9.114 4.093 -7.466 1.00 0.00 C ATOM 2183 C ALA C 36 -10.464 3.843 -8.142 1.00 0.00 C ATOM 2184 O ALA C 36 -11.344 3.232 -7.534 1.00 0.00 O ATOM 2185 CB ALA C 36 -8.110 3.001 -7.845 1.00 0.00 C ATOM 0 H ALA C 36 -10.017 3.412 -5.721 1.00 0.00 H new ATOM 0 HA ALA C 36 -8.733 5.060 -7.793 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -7.959 3.004 -8.924 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -7.160 3.191 -7.345 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -8.495 2.029 -7.536 1.00 0.00 H new ATOM 2191 N PRO C 37 -10.644 4.305 -9.385 1.00 0.00 N ATOM 2192 CA PRO C 37 -11.855 4.069 -10.150 1.00 0.00 C ATOM 2193 C PRO C 37 -11.922 2.616 -10.605 1.00 0.00 C ATOM 2194 O PRO C 37 -10.891 1.972 -10.794 1.00 0.00 O ATOM 2195 CB PRO C 37 -11.743 4.999 -11.358 1.00 0.00 C ATOM 2196 CG PRO C 37 -10.233 5.127 -11.568 1.00 0.00 C ATOM 2197 CD PRO C 37 -9.685 5.087 -10.147 1.00 0.00 C ATOM 0 HA PRO C 37 -12.755 4.259 -9.565 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -12.237 4.580 -12.235 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -12.205 5.967 -11.164 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -9.839 4.312 -12.175 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -9.973 6.056 -12.075 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -8.696 4.630 -10.120 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -9.583 6.092 -9.737 1.00 0.00 H new ATOM 2205 N LYS C 38 -13.137 2.087 -10.788 1.00 0.00 N ATOM 2206 CA LYS C 38 -13.320 0.738 -11.311 1.00 0.00 C ATOM 2207 C LYS C 38 -12.807 0.644 -12.753 1.00 0.00 C ATOM 2208 O LYS C 38 -12.781 -0.435 -13.340 1.00 0.00 O ATOM 2209 CB LYS C 38 -14.797 0.344 -11.212 1.00 0.00 C ATOM 2210 CG LYS C 38 -15.272 0.250 -9.755 1.00 0.00 C ATOM 2211 CD LYS C 38 -14.576 -0.869 -8.971 1.00 0.00 C ATOM 2212 CE LYS C 38 -14.852 -2.256 -9.553 1.00 0.00 C ATOM 2213 NZ LYS C 38 -16.294 -2.566 -9.576 1.00 0.00 N ATOM 0 H LYS C 38 -14.007 2.578 -10.580 1.00 0.00 H new ATOM 0 HA LYS C 38 -12.737 0.037 -10.713 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -15.404 1.076 -11.744 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -14.950 -0.616 -11.706 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -15.091 1.202 -9.257 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -16.349 0.082 -9.739 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -13.501 -0.689 -8.965 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -14.909 -0.842 -7.933 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -14.453 -2.311 -10.566 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -14.328 -3.008 -8.963 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -16.430 -3.569 -9.816 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -16.705 -2.375 -8.640 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -16.765 -1.973 -10.289 1.00 0.00 H new ATOM 2227 N ASP C 39 -12.397 1.782 -13.321 1.00 0.00 N ATOM 2228 CA ASP C 39 -11.734 1.859 -14.612 1.00 0.00 C ATOM 2229 C ASP C 39 -10.344 1.219 -14.566 1.00 0.00 C ATOM 2230 O ASP C 39 -9.707 1.051 -15.605 1.00 0.00 O ATOM 2231 CB ASP C 39 -11.622 3.329 -15.020 1.00 0.00 C ATOM 2232 CG ASP C 39 -12.993 3.908 -15.359 1.00 0.00 C ATOM 2233 OD1 ASP C 39 -13.417 3.741 -16.526 1.00 0.00 O ATOM 2234 OD2 ASP C 39 -13.607 4.510 -14.452 1.00 0.00 O ATOM 0 H ASP C 39 -12.523 2.693 -12.880 1.00 0.00 H new ATOM 0 HA ASP C 39 -12.324 1.308 -15.344 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -11.172 3.902 -14.209 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -10.961 3.422 -15.882 1.00 0.00 H new ATOM 2239 N VAL C 40 -9.869 0.864 -13.364 1.00 0.00 N ATOM 2240 CA VAL C 40 -8.589 0.191 -13.167 1.00 0.00 C ATOM 2241 C VAL C 40 -8.744 -0.890 -12.103 1.00 0.00 C ATOM 2242 O VAL C 40 -9.684 -0.855 -11.309 1.00 0.00 O ATOM 2243 CB VAL C 40 -7.489 1.191 -12.784 1.00 0.00 C ATOM 2244 CG1 VAL C 40 -7.380 2.311 -13.821 1.00 0.00 C ATOM 2245 CG2 VAL C 40 -7.726 1.823 -11.415 1.00 0.00 C ATOM 0 H VAL C 40 -10.373 1.041 -12.495 1.00 0.00 H new ATOM 0 HA VAL C 40 -8.286 -0.275 -14.105 1.00 0.00 H new ATOM 0 HB VAL C 40 -6.562 0.618 -12.749 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -6.593 3.005 -13.525 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -7.140 1.883 -14.794 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -8.329 2.843 -13.883 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -6.920 2.522 -11.192 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -8.677 2.356 -11.420 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -7.751 1.043 -10.654 1.00 0.00 H new ATOM 2255 N ALA C 41 -7.819 -1.848 -12.078 1.00 0.00 N ATOM 2256 CA ALA C 41 -7.901 -2.974 -11.162 1.00 0.00 C ATOM 2257 C ALA C 41 -6.998 -2.776 -9.949 1.00 0.00 C ATOM 2258 O ALA C 41 -6.027 -2.020 -10.005 1.00 0.00 O ATOM 2259 CB ALA C 41 -7.511 -4.247 -11.914 1.00 0.00 C ATOM 0 H ALA C 41 -7.001 -1.862 -12.687 1.00 0.00 H new ATOM 0 HA ALA C 41 -8.923 -3.055 -10.793 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -7.568 -5.101 -11.239 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -8.194 -4.399 -12.750 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -6.493 -4.150 -12.290 1.00 0.00 H new ATOM 2265 N VAL C 42 -7.319 -3.457 -8.850 1.00 0.00 N ATOM 2266 CA VAL C 42 -6.475 -3.490 -7.662 1.00 0.00 C ATOM 2267 C VAL C 42 -6.736 -4.792 -6.909 1.00 0.00 C ATOM 2268 O VAL C 42 -7.890 -5.158 -6.697 1.00 0.00 O ATOM 2269 CB VAL C 42 -6.749 -2.256 -6.790 1.00 0.00 C ATOM 2270 CG1 VAL C 42 -8.238 -2.023 -6.555 1.00 0.00 C ATOM 2271 CG2 VAL C 42 -6.081 -2.379 -5.425 1.00 0.00 C ATOM 0 H VAL C 42 -8.176 -4.003 -8.761 1.00 0.00 H new ATOM 0 HA VAL C 42 -5.422 -3.460 -7.941 1.00 0.00 H new ATOM 0 HB VAL C 42 -6.335 -1.414 -7.344 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -8.374 -1.138 -5.933 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -8.738 -1.874 -7.512 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -8.667 -2.890 -6.052 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -6.295 -1.489 -4.834 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -6.466 -3.259 -4.909 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -5.003 -2.478 -5.555 1.00 0.00 H new ATOM 2281 N HIS C 43 -5.671 -5.490 -6.503 1.00 0.00 N ATOM 2282 CA HIS C 43 -5.790 -6.775 -5.821 1.00 0.00 C ATOM 2283 C HIS C 43 -4.546 -7.074 -5.000 1.00 0.00 C ATOM 2284 O HIS C 43 -3.524 -6.409 -5.144 1.00 0.00 O ATOM 2285 CB HIS C 43 -5.929 -7.898 -6.855 1.00 0.00 C ATOM 2286 CG HIS C 43 -7.031 -7.695 -7.855 1.00 0.00 C ATOM 2287 ND1 HIS C 43 -8.371 -8.024 -7.662 1.00 0.00 N ATOM 2288 CD2 HIS C 43 -6.864 -7.156 -9.099 1.00 0.00 C ATOM 2289 CE1 HIS C 43 -8.988 -7.671 -8.802 1.00 0.00 C ATOM 2290 NE2 HIS C 43 -8.112 -7.147 -9.677 1.00 0.00 N ATOM 0 H HIS C 43 -4.709 -5.179 -6.638 1.00 0.00 H new ATOM 0 HA HIS C 43 -6.664 -6.722 -5.171 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -4.985 -8.000 -7.390 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -6.101 -8.838 -6.330 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -8.793 -8.443 -6.833 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -5.941 -6.808 -9.539 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -10.045 -7.792 -8.990 1.00 0.00 H new ATOM 2298 N ARG C 44 -4.630 -8.089 -4.137 1.00 0.00 N ATOM 2299 CA ARG C 44 -3.451 -8.612 -3.455 1.00 0.00 C ATOM 2300 C ARG C 44 -2.602 -9.347 -4.479 1.00 0.00 C ATOM 2301 O ARG C 44 -3.094 -9.735 -5.534 1.00 0.00 O ATOM 2302 CB ARG C 44 -3.884 -9.567 -2.342 1.00 0.00 C ATOM 2303 CG ARG C 44 -4.503 -8.771 -1.192 1.00 0.00 C ATOM 2304 CD ARG C 44 -5.178 -9.717 -0.210 1.00 0.00 C ATOM 2305 NE ARG C 44 -6.415 -10.247 -0.789 1.00 0.00 N ATOM 2306 CZ ARG C 44 -6.817 -11.521 -0.719 1.00 0.00 C ATOM 2307 NH1 ARG C 44 -6.067 -12.461 -0.148 1.00 0.00 N ATOM 2308 NH2 ARG C 44 -7.990 -11.852 -1.241 1.00 0.00 N ATOM 0 H ARG C 44 -5.501 -8.562 -3.896 1.00 0.00 H new ATOM 0 HA ARG C 44 -2.875 -7.802 -3.008 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -4.605 -10.288 -2.728 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -3.026 -10.136 -1.983 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -3.732 -8.193 -0.682 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -5.230 -8.058 -1.582 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -4.504 -10.537 0.039 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -5.398 -9.192 0.719 1.00 0.00 H new ATOM 0 HE ARG C 44 -7.019 -9.592 -1.286 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -5.160 -12.218 0.251 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -6.399 -13.425 -0.109 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -8.569 -11.140 -1.686 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -8.313 -12.818 -1.197 1.00 0.00 H new ATOM 2322 N GLU C 45 -1.319 -9.549 -4.182 1.00 0.00 N ATOM 2323 CA GLU C 45 -0.419 -10.227 -5.107 1.00 0.00 C ATOM 2324 C GLU C 45 -0.833 -11.688 -5.280 1.00 0.00 C ATOM 2325 O GLU C 45 -0.513 -12.306 -6.294 1.00 0.00 O ATOM 2326 CB GLU C 45 1.014 -10.060 -4.592 1.00 0.00 C ATOM 2327 CG GLU C 45 2.066 -10.578 -5.581 1.00 0.00 C ATOM 2328 CD GLU C 45 2.400 -12.064 -5.409 1.00 0.00 C ATOM 2329 OE1 GLU C 45 1.888 -12.686 -4.453 1.00 0.00 O ATOM 2330 OE2 GLU C 45 3.181 -12.572 -6.245 1.00 0.00 O ATOM 0 H GLU C 45 -0.882 -9.253 -3.309 1.00 0.00 H new ATOM 0 HA GLU C 45 -0.474 -9.784 -6.101 1.00 0.00 H new ATOM 0 HB2 GLU C 45 1.201 -9.006 -4.389 1.00 0.00 H new ATOM 0 HB3 GLU C 45 1.119 -10.591 -3.646 1.00 0.00 H new ATOM 0 HG2 GLU C 45 1.709 -10.411 -6.597 1.00 0.00 H new ATOM 0 HG3 GLU C 45 2.979 -9.994 -5.464 1.00 0.00 H new ATOM 2337 N GLU C 46 -1.546 -12.251 -4.298 1.00 0.00 N ATOM 2338 CA GLU C 46 -2.025 -13.628 -4.341 1.00 0.00 C ATOM 2339 C GLU C 46 -3.346 -13.750 -5.107 1.00 0.00 C ATOM 2340 O GLU C 46 -3.855 -14.855 -5.283 1.00 0.00 O ATOM 2341 CB GLU C 46 -2.172 -14.145 -2.906 1.00 0.00 C ATOM 2342 CG GLU C 46 -3.268 -13.391 -2.148 1.00 0.00 C ATOM 2343 CD GLU C 46 -3.197 -13.649 -0.647 1.00 0.00 C ATOM 2344 OE1 GLU C 46 -3.213 -14.838 -0.252 1.00 0.00 O ATOM 2345 OE2 GLU C 46 -3.127 -12.645 0.096 1.00 0.00 O ATOM 0 H GLU C 46 -1.807 -11.755 -3.446 1.00 0.00 H new ATOM 0 HA GLU C 46 -1.298 -14.236 -4.879 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -2.407 -15.209 -2.924 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -1.224 -14.036 -2.380 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -3.172 -12.322 -2.338 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -4.245 -13.695 -2.523 1.00 0.00 H new ATOM 2352 N ILE C 47 -3.901 -12.623 -5.566 1.00 0.00 N ATOM 2353 CA ILE C 47 -5.155 -12.574 -6.313 1.00 0.00 C ATOM 2354 C ILE C 47 -4.916 -11.984 -7.697 1.00 0.00 C ATOM 2355 O ILE C 47 -5.571 -12.388 -8.651 1.00 0.00 O ATOM 2356 CB ILE C 47 -6.179 -11.753 -5.523 1.00 0.00 C ATOM 2357 CG1 ILE C 47 -6.591 -12.462 -4.224 1.00 0.00 C ATOM 2358 CG2 ILE C 47 -7.425 -11.478 -6.367 1.00 0.00 C ATOM 2359 CD1 ILE C 47 -7.135 -13.877 -4.452 1.00 0.00 C ATOM 0 H ILE C 47 -3.481 -11.705 -5.424 1.00 0.00 H new ATOM 0 HA ILE C 47 -5.548 -13.582 -6.447 1.00 0.00 H new ATOM 0 HB ILE C 47 -5.700 -10.808 -5.267 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -5.730 -12.514 -3.558 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -7.350 -11.866 -3.718 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -8.137 -10.894 -5.785 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -7.143 -10.921 -7.261 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -7.883 -12.423 -6.658 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -7.407 -14.321 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -8.015 -13.829 -5.093 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -6.370 -14.488 -4.931 1.00 0.00 H new ATOM 2371 N TYR C 48 -3.988 -11.032 -7.819 1.00 0.00 N ATOM 2372 CA TYR C 48 -3.693 -10.413 -9.102 1.00 0.00 C ATOM 2373 C TYR C 48 -3.301 -11.463 -10.135 1.00 0.00 C ATOM 2374 O TYR C 48 -3.685 -11.359 -11.299 1.00 0.00 O ATOM 2375 CB TYR C 48 -2.555 -9.411 -8.926 1.00 0.00 C ATOM 2376 CG TYR C 48 -1.940 -8.982 -10.232 1.00 0.00 C ATOM 2377 CD1 TYR C 48 -2.740 -8.506 -11.279 1.00 0.00 C ATOM 2378 CD2 TYR C 48 -0.553 -9.077 -10.397 1.00 0.00 C ATOM 2379 CE1 TYR C 48 -2.159 -8.156 -12.505 1.00 0.00 C ATOM 2380 CE2 TYR C 48 0.038 -8.712 -11.611 1.00 0.00 C ATOM 2381 CZ TYR C 48 -0.762 -8.249 -12.673 1.00 0.00 C ATOM 2382 OH TYR C 48 -0.183 -7.893 -13.860 1.00 0.00 O ATOM 0 H TYR C 48 -3.431 -10.677 -7.042 1.00 0.00 H new ATOM 0 HA TYR C 48 -4.587 -9.901 -9.459 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -2.930 -8.532 -8.402 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -1.784 -9.853 -8.296 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -3.807 -8.409 -11.141 1.00 0.00 H new ATOM 0 HD2 TYR C 48 0.063 -9.433 -9.584 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -2.780 -7.815 -13.320 1.00 0.00 H new ATOM 0 HE2 TYR C 48 1.108 -8.785 -11.734 1.00 0.00 H new ATOM 0 HH TYR C 48 -0.861 -7.505 -14.452 1.00 0.00 H new ATOM 2392 N GLN C 49 -2.542 -12.483 -9.717 1.00 0.00 N ATOM 2393 CA GLN C 49 -2.102 -13.534 -10.621 1.00 0.00 C ATOM 2394 C GLN C 49 -3.296 -14.324 -11.160 1.00 0.00 C ATOM 2395 O GLN C 49 -3.188 -14.975 -12.197 1.00 0.00 O ATOM 2396 CB GLN C 49 -1.159 -14.480 -9.878 1.00 0.00 C ATOM 2397 CG GLN C 49 0.074 -13.753 -9.344 1.00 0.00 C ATOM 2398 CD GLN C 49 0.964 -14.711 -8.566 1.00 0.00 C ATOM 2399 OE1 GLN C 49 1.572 -15.615 -9.135 1.00 0.00 O ATOM 2400 NE2 GLN C 49 1.049 -14.528 -7.250 1.00 0.00 N ATOM 0 H GLN C 49 -2.223 -12.596 -8.755 1.00 0.00 H new ATOM 0 HA GLN C 49 -1.583 -13.074 -11.462 1.00 0.00 H new ATOM 0 HB2 GLN C 49 -1.692 -14.947 -9.050 1.00 0.00 H new ATOM 0 HB3 GLN C 49 -0.846 -15.281 -10.548 1.00 0.00 H new ATOM 0 HG2 GLN C 49 0.634 -13.319 -10.172 1.00 0.00 H new ATOM 0 HG3 GLN C 49 -0.233 -12.929 -8.700 1.00 0.00 H new ATOM 0 HE21 GLN C 49 0.532 -13.769 -6.806 1.00 0.00 H new ATOM 0 HE22 GLN C 49 1.631 -15.147 -6.686 1.00 0.00 H new ATOM 2409 N ARG C 50 -4.434 -14.268 -10.459 1.00 0.00 N ATOM 2410 CA ARG C 50 -5.617 -15.021 -10.829 1.00 0.00 C ATOM 2411 C ARG C 50 -6.477 -14.259 -11.829 1.00 0.00 C ATOM 2412 O ARG C 50 -7.047 -14.878 -12.721 1.00 0.00 O ATOM 2413 CB ARG C 50 -6.397 -15.353 -9.558 1.00 0.00 C ATOM 2414 CG ARG C 50 -7.553 -16.294 -9.878 1.00 0.00 C ATOM 2415 CD ARG C 50 -8.244 -16.685 -8.580 1.00 0.00 C ATOM 2416 NE ARG C 50 -7.408 -17.591 -7.785 1.00 0.00 N ATOM 2417 CZ ARG C 50 -7.481 -17.717 -6.456 1.00 0.00 C ATOM 2418 NH1 ARG C 50 -8.351 -17.007 -5.744 1.00 0.00 N ATOM 2419 NH2 ARG C 50 -6.673 -18.567 -5.826 1.00 0.00 N ATOM 0 H ARG C 50 -4.551 -13.697 -9.622 1.00 0.00 H new ATOM 0 HA ARG C 50 -5.318 -15.945 -11.325 1.00 0.00 H new ATOM 0 HB2 ARG C 50 -5.734 -15.816 -8.827 1.00 0.00 H new ATOM 0 HB3 ARG C 50 -6.779 -14.437 -9.108 1.00 0.00 H new ATOM 0 HG2 ARG C 50 -8.260 -15.807 -10.550 1.00 0.00 H new ATOM 0 HG3 ARG C 50 -7.185 -17.182 -10.392 1.00 0.00 H new ATOM 0 HD2 ARG C 50 -8.467 -15.790 -8.000 1.00 0.00 H new ATOM 0 HD3 ARG C 50 -9.196 -17.166 -8.803 1.00 0.00 H new ATOM 0 HE ARG C 50 -6.724 -18.164 -8.280 1.00 0.00 H new ATOM 0 HH11 ARG C 50 -8.978 -16.352 -6.211 1.00 0.00 H new ATOM 0 HH12 ARG C 50 -8.391 -17.117 -4.731 1.00 0.00 H new ATOM 0 HH21 ARG C 50 -6.000 -19.120 -6.357 1.00 0.00 H new ATOM 0 HH22 ARG C 50 -6.726 -18.665 -4.812 1.00 0.00 H new ATOM 2433 N ILE C 51 -6.592 -12.930 -11.703 1.00 0.00 N ATOM 2434 CA ILE C 51 -7.355 -12.147 -12.672 1.00 0.00 C ATOM 2435 C ILE C 51 -6.723 -12.298 -14.059 1.00 0.00 C ATOM 2436 O ILE C 51 -7.365 -12.028 -15.075 1.00 0.00 O ATOM 2437 CB ILE C 51 -7.452 -10.672 -12.234 1.00 0.00 C ATOM 2438 CG1 ILE C 51 -8.430 -10.487 -11.065 1.00 0.00 C ATOM 2439 CG2 ILE C 51 -8.001 -9.791 -13.357 1.00 0.00 C ATOM 2440 CD1 ILE C 51 -7.888 -11.009 -9.741 1.00 0.00 C ATOM 0 H ILE C 51 -6.172 -12.385 -10.950 1.00 0.00 H new ATOM 0 HA ILE C 51 -8.376 -12.524 -12.721 1.00 0.00 H new ATOM 0 HB ILE C 51 -6.437 -10.389 -11.954 1.00 0.00 H new ATOM 0 HG12 ILE C 51 -8.666 -9.428 -10.961 1.00 0.00 H new ATOM 0 HG13 ILE C 51 -9.363 -11.000 -11.296 1.00 0.00 H new ATOM 0 HG21 ILE C 51 -8.056 -8.758 -13.015 1.00 0.00 H new ATOM 0 HG22 ILE C 51 -7.341 -9.852 -14.223 1.00 0.00 H new ATOM 0 HG23 ILE C 51 -8.997 -10.135 -13.635 1.00 0.00 H new ATOM 0 HD11 ILE C 51 -8.627 -10.848 -8.956 1.00 0.00 H new ATOM 0 HD12 ILE C 51 -7.678 -12.075 -9.829 1.00 0.00 H new ATOM 0 HD13 ILE C 51 -6.970 -10.478 -9.489 1.00 0.00 H new