USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 727 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 Single : A 35 SER OG : rot -31:sc= 0.801 USER MOD Single : A 36 ASN : amide:sc= -3.56! K(o=-3.6!,f=-1.7) USER MOD Single : A 43 MET CE :methyl 180:sc= -0.456 (180deg=-0.456) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.5 K(o=-2.5,f=-4.6!) USER MOD Single : A 66 SER OG : rot 64:sc= 0.949 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -8! C(o=-8!,f=-13!) USER MOD Single : A 109 SER OG : rot -94:sc= 0.917 USER MOD Single : A 110 SER OG : rot 77:sc= -1.3! USER MOD Single : A 111 THR OG1 : rot -69:sc= -3.82! USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -138:sc= -0.856 (180deg=-3.16!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 126 SER OG : rot 124:sc= 0.664! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 35 -0.223 -18.495 -4.203 1.00 0.00 N ATOM 2 CA SER A 35 -1.062 -17.261 -4.190 1.00 0.00 C ATOM 3 C SER A 35 -1.272 -16.752 -5.620 1.00 0.00 C ATOM 4 O SER A 35 -0.577 -17.146 -6.535 1.00 0.00 O ATOM 5 CB SER A 35 -0.259 -16.248 -3.374 1.00 0.00 C ATOM 6 OG SER A 35 1.130 -16.491 -3.559 1.00 0.00 O ATOM 0 HA SER A 35 -2.051 -17.436 -3.765 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.507 -15.234 -3.686 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.517 -16.328 -2.318 1.00 0.00 H new ATOM 0 HG SER A 35 1.277 -17.447 -3.715 1.00 0.00 H new ATOM 12 N ASN A 36 -2.226 -15.882 -5.821 1.00 0.00 N ATOM 13 CA ASN A 36 -2.475 -15.355 -7.195 1.00 0.00 C ATOM 14 C ASN A 36 -1.573 -14.153 -7.478 1.00 0.00 C ATOM 15 O ASN A 36 -1.749 -13.090 -6.914 1.00 0.00 O ATOM 16 CB ASN A 36 -3.945 -14.930 -7.209 1.00 0.00 C ATOM 17 CG ASN A 36 -4.829 -16.124 -6.848 1.00 0.00 C ATOM 18 OD1 ASN A 36 -4.603 -17.226 -7.309 1.00 0.00 O ATOM 19 ND2 ASN A 36 -5.836 -15.950 -6.038 1.00 0.00 N ATOM 0 H ASN A 36 -2.842 -15.514 -5.096 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.261 -16.102 -7.959 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.106 -14.118 -6.500 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.215 -14.550 -8.194 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.434 -16.739 -5.791 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.026 -15.025 -5.651 1.00 0.00 H new ATOM 26 N ALA A 37 -0.609 -14.318 -8.346 1.00 0.00 N ATOM 27 CA ALA A 37 0.310 -13.200 -8.678 1.00 0.00 C ATOM 28 C ALA A 37 -0.452 -11.872 -8.711 1.00 0.00 C ATOM 29 O ALA A 37 -1.606 -11.819 -9.084 1.00 0.00 O ATOM 30 CB ALA A 37 0.852 -13.539 -10.067 1.00 0.00 C ATOM 0 H ALA A 37 -0.421 -15.190 -8.841 1.00 0.00 H new ATOM 0 HA ALA A 37 1.105 -13.088 -7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.542 -12.759 -10.388 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.375 -14.494 -10.030 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.025 -13.605 -10.774 1.00 0.00 H new ATOM 36 N VAL A 38 0.182 -10.801 -8.324 1.00 0.00 N ATOM 37 CA VAL A 38 -0.512 -9.482 -8.335 1.00 0.00 C ATOM 38 C VAL A 38 0.420 -8.409 -8.905 1.00 0.00 C ATOM 39 O VAL A 38 1.490 -8.162 -8.383 1.00 0.00 O ATOM 40 CB VAL A 38 -0.856 -9.207 -6.862 1.00 0.00 C ATOM 41 CG1 VAL A 38 -0.805 -7.704 -6.564 1.00 0.00 C ATOM 42 CG2 VAL A 38 -2.268 -9.723 -6.572 1.00 0.00 C ATOM 0 H VAL A 38 1.149 -10.781 -8.001 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.406 -9.476 -8.959 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.127 -9.716 -6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.052 -7.532 -5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.197 -7.327 -6.767 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.524 -7.183 -7.196 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.518 -9.531 -5.529 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.982 -9.211 -7.217 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.310 -10.795 -6.764 1.00 0.00 H new ATOM 52 N VAL A 39 0.020 -7.765 -9.966 1.00 0.00 N ATOM 53 CA VAL A 39 0.886 -6.706 -10.553 1.00 0.00 C ATOM 54 C VAL A 39 0.435 -5.334 -10.071 1.00 0.00 C ATOM 55 O VAL A 39 -0.736 -5.008 -10.094 1.00 0.00 O ATOM 56 CB VAL A 39 0.707 -6.799 -12.071 1.00 0.00 C ATOM 57 CG1 VAL A 39 -0.688 -6.296 -12.454 1.00 0.00 C ATOM 58 CG2 VAL A 39 1.757 -5.917 -12.754 1.00 0.00 C ATOM 0 H VAL A 39 -0.864 -7.925 -10.449 1.00 0.00 H new ATOM 0 HA VAL A 39 1.927 -6.841 -10.260 1.00 0.00 H new ATOM 0 HB VAL A 39 0.824 -7.835 -12.388 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.815 -6.362 -13.535 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.443 -6.908 -11.962 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.800 -5.259 -12.139 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.636 -5.978 -13.836 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.629 -4.883 -12.432 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.755 -6.261 -12.481 1.00 0.00 H new ATOM 68 N LEU A 40 1.356 -4.513 -9.679 1.00 0.00 N ATOM 69 CA LEU A 40 0.991 -3.149 -9.249 1.00 0.00 C ATOM 70 C LEU A 40 1.451 -2.211 -10.363 1.00 0.00 C ATOM 71 O LEU A 40 2.422 -2.485 -11.040 1.00 0.00 O ATOM 72 CB LEU A 40 1.768 -2.904 -7.950 1.00 0.00 C ATOM 73 CG LEU A 40 1.938 -1.400 -7.722 1.00 0.00 C ATOM 74 CD1 LEU A 40 0.586 -0.785 -7.360 1.00 0.00 C ATOM 75 CD2 LEU A 40 2.926 -1.164 -6.577 1.00 0.00 C ATOM 0 H LEU A 40 2.352 -4.730 -9.638 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.074 -2.997 -9.074 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.238 -3.351 -7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.744 -3.385 -8.003 1.00 0.00 H new ATOM 0 HG LEU A 40 2.319 -0.936 -8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.705 0.286 -7.197 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.119 -0.952 -8.174 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.207 -1.250 -6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.046 -0.093 -6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.546 -1.628 -5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.890 -1.603 -6.832 1.00 0.00 H new ATOM 87 N VAL A 41 0.773 -1.134 -10.591 1.00 0.00 N ATOM 88 CA VAL A 41 1.199 -0.240 -11.697 1.00 0.00 C ATOM 89 C VAL A 41 0.856 1.202 -11.371 1.00 0.00 C ATOM 90 O VAL A 41 -0.268 1.528 -11.066 1.00 0.00 O ATOM 91 CB VAL A 41 0.406 -0.718 -12.921 1.00 0.00 C ATOM 92 CG1 VAL A 41 0.543 0.293 -14.053 1.00 0.00 C ATOM 93 CG2 VAL A 41 0.933 -2.082 -13.379 1.00 0.00 C ATOM 0 H VAL A 41 -0.049 -0.832 -10.069 1.00 0.00 H new ATOM 0 HA VAL A 41 2.275 -0.278 -11.867 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.646 -0.812 -12.651 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.022 -0.052 -14.919 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.155 1.258 -13.728 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.594 0.397 -14.323 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.367 -2.418 -14.248 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.987 -1.995 -13.644 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.820 -2.805 -12.571 1.00 0.00 H new ATOM 103 N LEU A 42 1.812 2.074 -11.439 1.00 0.00 N ATOM 104 CA LEU A 42 1.528 3.487 -11.150 1.00 0.00 C ATOM 105 C LEU A 42 2.214 4.364 -12.208 1.00 0.00 C ATOM 106 O LEU A 42 2.883 3.863 -13.090 1.00 0.00 O ATOM 107 CB LEU A 42 2.111 3.732 -9.759 1.00 0.00 C ATOM 108 CG LEU A 42 1.658 5.096 -9.230 1.00 0.00 C ATOM 109 CD1 LEU A 42 0.156 5.269 -9.465 1.00 0.00 C ATOM 110 CD2 LEU A 42 1.945 5.177 -7.731 1.00 0.00 C ATOM 0 H LEU A 42 2.780 1.864 -11.684 1.00 0.00 H new ATOM 0 HA LEU A 42 0.465 3.726 -11.176 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.789 2.944 -9.078 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.200 3.693 -9.801 1.00 0.00 H new ATOM 0 HG LEU A 42 2.200 5.884 -9.754 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.162 6.241 -9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.055 5.208 -10.533 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.387 4.481 -8.943 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.624 6.147 -7.351 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.402 4.386 -7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.014 5.056 -7.558 1.00 0.00 H new ATOM 122 N MET A 43 2.060 5.661 -12.141 1.00 0.00 N ATOM 123 CA MET A 43 2.712 6.539 -13.162 1.00 0.00 C ATOM 124 C MET A 43 4.203 6.724 -12.849 1.00 0.00 C ATOM 125 O MET A 43 4.718 6.204 -11.879 1.00 0.00 O ATOM 126 CB MET A 43 1.969 7.874 -13.075 1.00 0.00 C ATOM 127 CG MET A 43 2.276 8.552 -11.738 1.00 0.00 C ATOM 128 SD MET A 43 1.658 10.253 -11.764 1.00 0.00 S ATOM 129 CE MET A 43 0.120 9.955 -10.858 1.00 0.00 C ATOM 0 H MET A 43 1.515 6.149 -11.430 1.00 0.00 H new ATOM 0 HA MET A 43 2.659 6.108 -14.162 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.269 8.522 -13.899 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.896 7.710 -13.172 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.811 7.998 -10.923 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.350 8.547 -11.555 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.430 10.891 -10.757 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.489 9.233 -11.402 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.351 9.562 -9.868 1.00 0.00 H new ATOM 139 N LYS A 44 4.898 7.449 -13.686 1.00 0.00 N ATOM 140 CA LYS A 44 6.361 7.662 -13.478 1.00 0.00 C ATOM 141 C LYS A 44 6.654 8.439 -12.189 1.00 0.00 C ATOM 142 O LYS A 44 6.645 9.655 -12.170 1.00 0.00 O ATOM 143 CB LYS A 44 6.805 8.482 -14.689 1.00 0.00 C ATOM 144 CG LYS A 44 7.393 7.553 -15.750 1.00 0.00 C ATOM 145 CD LYS A 44 8.455 8.308 -16.544 1.00 0.00 C ATOM 146 CE LYS A 44 7.849 9.590 -17.119 1.00 0.00 C ATOM 147 NZ LYS A 44 8.483 9.748 -18.459 1.00 0.00 N ATOM 0 H LYS A 44 4.511 7.906 -14.512 1.00 0.00 H new ATOM 0 HA LYS A 44 6.887 6.712 -13.382 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.957 9.030 -15.100 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.547 9.222 -14.388 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.831 6.674 -15.278 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.607 7.199 -16.417 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.301 8.550 -15.901 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.836 7.680 -17.350 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.765 9.512 -17.202 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.059 10.447 -16.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.117 10.607 -18.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.514 9.827 -18.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.260 8.920 -19.048 1.00 0.00 H new ATOM 161 N SER A 45 6.947 7.748 -11.122 1.00 0.00 N ATOM 162 CA SER A 45 7.281 8.446 -9.846 1.00 0.00 C ATOM 163 C SER A 45 8.688 9.059 -9.943 1.00 0.00 C ATOM 164 O SER A 45 9.158 9.705 -9.028 1.00 0.00 O ATOM 165 CB SER A 45 7.237 7.362 -8.771 1.00 0.00 C ATOM 166 OG SER A 45 6.302 7.736 -7.767 1.00 0.00 O ATOM 0 H SER A 45 6.970 6.729 -11.077 1.00 0.00 H new ATOM 0 HA SER A 45 6.590 9.259 -9.622 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.952 6.407 -9.212 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.226 7.228 -8.332 1.00 0.00 H new ATOM 0 HG SER A 45 6.269 7.042 -7.076 1.00 0.00 H new ATOM 172 N ASP A 46 9.351 8.869 -11.060 1.00 0.00 N ATOM 173 CA ASP A 46 10.719 9.449 -11.258 1.00 0.00 C ATOM 174 C ASP A 46 11.796 8.686 -10.469 1.00 0.00 C ATOM 175 O ASP A 46 12.753 8.197 -11.037 1.00 0.00 O ATOM 176 CB ASP A 46 10.615 10.894 -10.763 1.00 0.00 C ATOM 177 CG ASP A 46 11.508 11.793 -11.621 1.00 0.00 C ATOM 178 OD1 ASP A 46 12.122 11.281 -12.542 1.00 0.00 O ATOM 179 OD2 ASP A 46 11.561 12.981 -11.344 1.00 0.00 O ATOM 0 H ASP A 46 8.999 8.331 -11.852 1.00 0.00 H new ATOM 0 HA ASP A 46 11.021 9.383 -12.303 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.581 11.234 -10.816 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.918 10.954 -9.718 1.00 0.00 H new ATOM 184 N GLU A 47 11.676 8.606 -9.173 1.00 0.00 N ATOM 185 CA GLU A 47 12.728 7.905 -8.370 1.00 0.00 C ATOM 186 C GLU A 47 12.358 6.445 -8.101 1.00 0.00 C ATOM 187 O GLU A 47 12.830 5.854 -7.153 1.00 0.00 O ATOM 188 CB GLU A 47 12.796 8.676 -7.050 1.00 0.00 C ATOM 189 CG GLU A 47 12.709 10.176 -7.328 1.00 0.00 C ATOM 190 CD GLU A 47 13.760 10.917 -6.499 1.00 0.00 C ATOM 191 OE1 GLU A 47 14.931 10.794 -6.815 1.00 0.00 O ATOM 192 OE2 GLU A 47 13.374 11.599 -5.563 1.00 0.00 O ATOM 0 H GLU A 47 10.901 8.992 -8.634 1.00 0.00 H new ATOM 0 HA GLU A 47 13.680 7.886 -8.901 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.980 8.369 -6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.726 8.446 -6.530 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.867 10.369 -8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.713 10.544 -7.082 1.00 0.00 H new ATOM 199 N ILE A 48 11.525 5.852 -8.911 1.00 0.00 N ATOM 200 CA ILE A 48 11.149 4.447 -8.659 1.00 0.00 C ATOM 201 C ILE A 48 12.339 3.525 -8.760 1.00 0.00 C ATOM 202 O ILE A 48 12.810 3.010 -7.771 1.00 0.00 O ATOM 203 CB ILE A 48 10.083 4.098 -9.648 1.00 0.00 C ATOM 204 CG1 ILE A 48 10.240 4.837 -10.973 1.00 0.00 C ATOM 205 CG2 ILE A 48 8.772 4.471 -8.986 1.00 0.00 C ATOM 206 CD1 ILE A 48 9.239 5.975 -11.004 1.00 0.00 C ATOM 0 H ILE A 48 11.095 6.282 -9.730 1.00 0.00 H new ATOM 0 HA ILE A 48 10.775 4.326 -7.642 1.00 0.00 H new ATOM 0 HB ILE A 48 10.137 3.039 -9.900 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.255 5.221 -11.076 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.070 4.158 -11.809 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.946 4.240 -9.659 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.657 3.904 -8.062 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.769 5.537 -8.760 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.334 6.518 -11.944 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.229 5.574 -10.917 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.433 6.653 -10.173 1.00 0.00 H new ATOM 218 N ASP A 49 12.837 3.307 -9.932 1.00 0.00 N ATOM 219 CA ASP A 49 14.023 2.406 -10.066 1.00 0.00 C ATOM 220 C ASP A 49 14.952 2.619 -8.864 1.00 0.00 C ATOM 221 O ASP A 49 15.554 1.695 -8.350 1.00 0.00 O ATOM 222 CB ASP A 49 14.705 2.826 -11.369 1.00 0.00 C ATOM 223 CG ASP A 49 15.488 1.643 -11.941 1.00 0.00 C ATOM 224 OD1 ASP A 49 15.172 0.521 -11.582 1.00 0.00 O ATOM 225 OD2 ASP A 49 16.389 1.880 -12.727 1.00 0.00 O ATOM 0 H ASP A 49 12.486 3.705 -10.803 1.00 0.00 H new ATOM 0 HA ASP A 49 13.754 1.350 -10.088 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.960 3.164 -12.089 1.00 0.00 H new ATOM 0 HB3 ASP A 49 15.376 3.665 -11.186 1.00 0.00 H new ATOM 230 N ALA A 50 15.016 3.834 -8.383 1.00 0.00 N ATOM 231 CA ALA A 50 15.850 4.127 -7.186 1.00 0.00 C ATOM 232 C ALA A 50 15.119 3.660 -5.936 1.00 0.00 C ATOM 233 O ALA A 50 15.642 2.879 -5.163 1.00 0.00 O ATOM 234 CB ALA A 50 16.032 5.645 -7.176 1.00 0.00 C ATOM 0 H ALA A 50 14.523 4.638 -8.772 1.00 0.00 H new ATOM 0 HA ALA A 50 16.813 3.616 -7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 50 16.639 5.933 -6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.530 5.958 -8.094 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.057 6.128 -7.109 1.00 0.00 H new ATOM 240 N ILE A 51 13.911 4.102 -5.722 1.00 0.00 N ATOM 241 CA ILE A 51 13.190 3.646 -4.540 1.00 0.00 C ATOM 242 C ILE A 51 12.773 2.189 -4.733 1.00 0.00 C ATOM 243 O ILE A 51 13.069 1.381 -3.912 1.00 0.00 O ATOM 244 CB ILE A 51 12.005 4.577 -4.430 1.00 0.00 C ATOM 245 CG1 ILE A 51 11.158 4.477 -5.678 1.00 0.00 C ATOM 246 CG2 ILE A 51 12.483 6.019 -4.230 1.00 0.00 C ATOM 247 CD1 ILE A 51 10.479 5.821 -5.995 1.00 0.00 C ATOM 0 H ILE A 51 13.408 4.756 -6.321 1.00 0.00 H new ATOM 0 HA ILE A 51 13.784 3.672 -3.627 1.00 0.00 H new ATOM 0 HB ILE A 51 11.404 4.287 -3.568 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.780 4.172 -6.520 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.400 3.705 -5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.620 6.681 -4.152 1.00 0.00 H new ATOM 0 HG22 ILE A 51 13.073 6.083 -3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 51 13.096 6.320 -5.080 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.876 5.720 -6.898 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.839 6.111 -5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.240 6.585 -6.151 1.00 0.00 H new ATOM 259 N ILE A 52 12.143 1.813 -5.820 1.00 0.00 N ATOM 260 CA ILE A 52 11.801 0.368 -5.981 1.00 0.00 C ATOM 261 C ILE A 52 13.025 -0.461 -5.621 1.00 0.00 C ATOM 262 O ILE A 52 12.947 -1.493 -4.989 1.00 0.00 O ATOM 263 CB ILE A 52 11.471 0.178 -7.446 1.00 0.00 C ATOM 264 CG1 ILE A 52 10.200 0.952 -7.795 1.00 0.00 C ATOM 265 CG2 ILE A 52 11.260 -1.308 -7.697 1.00 0.00 C ATOM 266 CD1 ILE A 52 9.036 0.395 -6.981 1.00 0.00 C ATOM 0 H ILE A 52 11.858 2.427 -6.583 1.00 0.00 H new ATOM 0 HA ILE A 52 10.969 0.065 -5.345 1.00 0.00 H new ATOM 0 HB ILE A 52 12.285 0.551 -8.068 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.335 2.012 -7.581 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.988 0.866 -8.861 1.00 0.00 H new ATOM 0 HG21 ILE A 52 11.021 -1.469 -8.748 1.00 0.00 H new ATOM 0 HG22 ILE A 52 12.170 -1.852 -7.445 1.00 0.00 H new ATOM 0 HG23 ILE A 52 10.438 -1.668 -7.078 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.126 0.943 -7.225 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.899 -0.660 -7.217 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.251 0.504 -5.918 1.00 0.00 H new ATOM 278 N GLU A 53 14.169 0.001 -6.011 1.00 0.00 N ATOM 279 CA GLU A 53 15.403 -0.742 -5.685 1.00 0.00 C ATOM 280 C GLU A 53 15.619 -0.776 -4.169 1.00 0.00 C ATOM 281 O GLU A 53 15.639 -1.827 -3.561 1.00 0.00 O ATOM 282 CB GLU A 53 16.514 0.043 -6.370 1.00 0.00 C ATOM 283 CG GLU A 53 17.873 -0.544 -5.982 1.00 0.00 C ATOM 284 CD GLU A 53 18.355 0.100 -4.682 1.00 0.00 C ATOM 285 OE1 GLU A 53 18.534 1.307 -4.672 1.00 0.00 O ATOM 286 OE2 GLU A 53 18.537 -0.623 -3.716 1.00 0.00 O ATOM 0 H GLU A 53 14.303 0.862 -6.542 1.00 0.00 H new ATOM 0 HA GLU A 53 15.367 -1.779 -6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 53 16.386 0.005 -7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.464 1.092 -6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.792 -1.624 -5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 53 18.597 -0.368 -6.777 1.00 0.00 H new ATOM 293 N ASP A 54 15.776 0.366 -3.554 1.00 0.00 N ATOM 294 CA ASP A 54 16.013 0.386 -2.074 1.00 0.00 C ATOM 295 C ASP A 54 14.705 0.235 -1.302 1.00 0.00 C ATOM 296 O ASP A 54 14.692 0.052 -0.101 1.00 0.00 O ATOM 297 CB ASP A 54 16.622 1.753 -1.802 1.00 0.00 C ATOM 298 CG ASP A 54 17.105 1.821 -0.352 1.00 0.00 C ATOM 299 OD1 ASP A 54 17.190 0.776 0.272 1.00 0.00 O ATOM 300 OD2 ASP A 54 17.381 2.916 0.109 1.00 0.00 O ATOM 0 H ASP A 54 15.751 1.281 -4.005 1.00 0.00 H new ATOM 0 HA ASP A 54 16.655 -0.436 -1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.455 1.933 -2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.885 2.534 -1.987 1.00 0.00 H new ATOM 305 N ILE A 55 13.614 0.333 -1.984 1.00 0.00 N ATOM 306 CA ILE A 55 12.289 0.224 -1.320 1.00 0.00 C ATOM 307 C ILE A 55 11.641 -1.119 -1.640 1.00 0.00 C ATOM 308 O ILE A 55 10.895 -1.670 -0.855 1.00 0.00 O ATOM 309 CB ILE A 55 11.480 1.387 -1.909 1.00 0.00 C ATOM 310 CG1 ILE A 55 10.471 1.891 -0.895 1.00 0.00 C ATOM 311 CG2 ILE A 55 10.716 0.926 -3.133 1.00 0.00 C ATOM 312 CD1 ILE A 55 11.199 2.488 0.310 1.00 0.00 C ATOM 0 H ILE A 55 13.576 0.487 -2.992 1.00 0.00 H new ATOM 0 HA ILE A 55 12.352 0.275 -0.233 1.00 0.00 H new ATOM 0 HB ILE A 55 12.178 2.181 -2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.828 2.643 -1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.826 1.073 -0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.146 1.760 -3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.417 0.563 -3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.034 0.122 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.469 2.848 1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.823 1.724 0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.825 3.318 -0.018 1.00 0.00 H new ATOM 324 N VAL A 56 11.887 -1.619 -2.813 1.00 0.00 N ATOM 325 CA VAL A 56 11.250 -2.890 -3.219 1.00 0.00 C ATOM 326 C VAL A 56 12.280 -4.002 -3.479 1.00 0.00 C ATOM 327 O VAL A 56 12.098 -5.119 -3.037 1.00 0.00 O ATOM 328 CB VAL A 56 10.465 -2.508 -4.473 1.00 0.00 C ATOM 329 CG1 VAL A 56 10.318 -3.712 -5.392 1.00 0.00 C ATOM 330 CG2 VAL A 56 9.082 -2.012 -4.044 1.00 0.00 C ATOM 0 H VAL A 56 12.504 -1.199 -3.508 1.00 0.00 H new ATOM 0 HA VAL A 56 10.612 -3.310 -2.442 1.00 0.00 H new ATOM 0 HB VAL A 56 10.996 -1.726 -5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.757 -3.425 -6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.305 -4.068 -5.686 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.786 -4.507 -4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.505 -1.734 -4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.562 -2.804 -3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.192 -1.144 -3.394 1.00 0.00 H new ATOM 340 N LEU A 57 13.353 -3.741 -4.182 1.00 0.00 N ATOM 341 CA LEU A 57 14.328 -4.848 -4.413 1.00 0.00 C ATOM 342 C LEU A 57 14.808 -5.363 -3.055 1.00 0.00 C ATOM 343 O LEU A 57 14.963 -6.549 -2.840 1.00 0.00 O ATOM 344 CB LEU A 57 15.470 -4.237 -5.233 1.00 0.00 C ATOM 345 CG LEU A 57 16.790 -4.945 -4.914 1.00 0.00 C ATOM 346 CD1 LEU A 57 17.697 -4.908 -6.142 1.00 0.00 C ATOM 347 CD2 LEU A 57 17.482 -4.234 -3.748 1.00 0.00 C ATOM 0 H LEU A 57 13.592 -2.839 -4.594 1.00 0.00 H new ATOM 0 HA LEU A 57 13.900 -5.695 -4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 57 15.250 -4.324 -6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 57 15.557 -3.173 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 57 16.590 -5.981 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 57 18.637 -5.412 -5.916 1.00 0.00 H new ATOM 0 HD12 LEU A 57 17.205 -5.414 -6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 57 17.897 -3.872 -6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 57 18.422 -4.738 -3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 57 17.682 -3.198 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 57 16.835 -4.259 -2.871 1.00 0.00 H new ATOM 359 N LYS A 58 15.014 -4.470 -2.134 1.00 0.00 N ATOM 360 CA LYS A 58 15.453 -4.878 -0.773 1.00 0.00 C ATOM 361 C LYS A 58 14.238 -4.877 0.154 1.00 0.00 C ATOM 362 O LYS A 58 14.060 -5.752 0.977 1.00 0.00 O ATOM 363 CB LYS A 58 16.454 -3.808 -0.343 1.00 0.00 C ATOM 364 CG LYS A 58 17.796 -4.462 -0.005 1.00 0.00 C ATOM 365 CD LYS A 58 18.788 -3.386 0.442 1.00 0.00 C ATOM 366 CE LYS A 58 19.632 -3.915 1.605 1.00 0.00 C ATOM 367 NZ LYS A 58 20.630 -2.843 1.876 1.00 0.00 N ATOM 0 H LYS A 58 14.896 -3.465 -2.265 1.00 0.00 H new ATOM 0 HA LYS A 58 15.896 -5.873 -0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.585 -3.078 -1.141 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.073 -3.268 0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 58 17.664 -5.201 0.785 1.00 0.00 H new ATOM 0 HG3 LYS A 58 18.184 -4.991 -0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 58 19.433 -3.104 -0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 58 18.252 -2.488 0.748 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.016 -4.112 2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 58 20.122 -4.853 1.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 21.246 -3.133 2.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 21.207 -2.682 1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 20.135 -1.964 2.130 1.00 0.00 H new ATOM 381 N GLY A 59 13.399 -3.886 0.012 1.00 0.00 N ATOM 382 CA GLY A 59 12.181 -3.798 0.866 1.00 0.00 C ATOM 383 C GLY A 59 11.221 -4.941 0.525 1.00 0.00 C ATOM 384 O GLY A 59 10.736 -5.631 1.400 1.00 0.00 O ATOM 0 H GLY A 59 13.507 -3.129 -0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.460 -3.848 1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.687 -2.839 0.712 1.00 0.00 H new ATOM 388 N GLY A 60 10.935 -5.153 -0.736 1.00 0.00 N ATOM 389 CA GLY A 60 10.002 -6.257 -1.111 1.00 0.00 C ATOM 390 C GLY A 60 10.747 -7.602 -1.136 1.00 0.00 C ATOM 391 O GLY A 60 10.338 -8.534 -1.800 1.00 0.00 O ATOM 0 H GLY A 60 11.306 -4.612 -1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.178 -6.303 -0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.566 -6.057 -2.090 1.00 0.00 H new ATOM 395 N LYS A 61 11.835 -7.714 -0.424 1.00 0.00 N ATOM 396 CA LYS A 61 12.596 -8.998 -0.411 1.00 0.00 C ATOM 397 C LYS A 61 12.420 -9.721 0.931 1.00 0.00 C ATOM 398 O LYS A 61 12.831 -10.853 1.090 1.00 0.00 O ATOM 399 CB LYS A 61 14.057 -8.594 -0.613 1.00 0.00 C ATOM 400 CG LYS A 61 14.840 -9.773 -1.197 1.00 0.00 C ATOM 401 CD LYS A 61 14.934 -9.621 -2.716 1.00 0.00 C ATOM 402 CE LYS A 61 14.667 -10.972 -3.382 1.00 0.00 C ATOM 403 NZ LYS A 61 16.006 -11.454 -3.825 1.00 0.00 N ATOM 0 H LYS A 61 12.231 -6.971 0.151 1.00 0.00 H new ATOM 0 HA LYS A 61 12.248 -9.685 -1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 61 14.118 -7.736 -1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.495 -8.288 0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.839 -9.811 -0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 61 14.347 -10.712 -0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.211 -8.883 -3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.922 -9.255 -2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.206 -11.672 -2.685 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.986 -10.868 -4.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.905 -12.378 -4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 16.417 -10.771 -4.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.631 -11.550 -2.999 1.00 0.00 H new ATOM 417 N ALA A 62 11.828 -9.078 1.903 1.00 0.00 N ATOM 418 CA ALA A 62 11.648 -9.725 3.219 1.00 0.00 C ATOM 419 C ALA A 62 10.271 -10.380 3.298 1.00 0.00 C ATOM 420 O ALA A 62 10.111 -11.551 3.018 1.00 0.00 O ATOM 421 CB ALA A 62 11.773 -8.594 4.241 1.00 0.00 C ATOM 0 H ALA A 62 11.463 -8.128 1.834 1.00 0.00 H new ATOM 0 HA ALA A 62 12.381 -10.511 3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.650 -8.997 5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.756 -8.131 4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.002 -7.847 4.053 1.00 0.00 H new ATOM 427 N LYS A 63 9.271 -9.625 3.652 1.00 0.00 N ATOM 428 CA LYS A 63 7.898 -10.202 3.719 1.00 0.00 C ATOM 429 C LYS A 63 7.436 -10.486 2.299 1.00 0.00 C ATOM 430 O LYS A 63 6.760 -11.457 2.021 1.00 0.00 O ATOM 431 CB LYS A 63 7.037 -9.114 4.356 1.00 0.00 C ATOM 432 CG LYS A 63 7.032 -7.872 3.463 1.00 0.00 C ATOM 433 CD LYS A 63 6.668 -6.647 4.298 1.00 0.00 C ATOM 434 CE LYS A 63 7.948 -6.017 4.849 1.00 0.00 C ATOM 435 NZ LYS A 63 7.486 -5.003 5.837 1.00 0.00 N ATOM 0 H LYS A 63 9.342 -8.637 3.897 1.00 0.00 H new ATOM 0 HA LYS A 63 7.844 -11.129 4.290 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.019 -9.478 4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.424 -8.862 5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.012 -7.736 3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.316 -7.998 2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.126 -5.924 3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.007 -6.933 5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.585 -6.766 5.321 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.534 -5.555 4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.310 -4.528 6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.888 -4.299 5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.937 -5.472 6.585 1.00 0.00 H new ATOM 449 N ASN A 64 7.823 -9.634 1.400 1.00 0.00 N ATOM 450 CA ASN A 64 7.453 -9.811 -0.029 1.00 0.00 C ATOM 451 C ASN A 64 8.193 -11.019 -0.611 1.00 0.00 C ATOM 452 O ASN A 64 9.407 -11.080 -0.582 1.00 0.00 O ATOM 453 CB ASN A 64 7.916 -8.518 -0.699 1.00 0.00 C ATOM 454 CG ASN A 64 6.737 -7.548 -0.801 1.00 0.00 C ATOM 455 OD1 ASN A 64 6.715 -6.688 -1.660 1.00 0.00 O ATOM 456 ND2 ASN A 64 5.750 -7.648 0.047 1.00 0.00 N ATOM 0 H ASN A 64 8.389 -8.808 1.596 1.00 0.00 H new ATOM 0 HA ASN A 64 6.388 -9.993 -0.176 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.724 -8.066 -0.123 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.312 -8.732 -1.692 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.961 -7.005 -0.011 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.768 -8.369 0.768 1.00 0.00 H new ATOM 463 N PRO A 65 7.426 -11.943 -1.116 1.00 0.00 N ATOM 464 CA PRO A 65 7.985 -13.181 -1.713 1.00 0.00 C ATOM 465 C PRO A 65 8.845 -12.857 -2.941 1.00 0.00 C ATOM 466 O PRO A 65 9.939 -13.363 -3.092 1.00 0.00 O ATOM 467 CB PRO A 65 6.727 -13.957 -2.104 1.00 0.00 C ATOM 468 CG PRO A 65 5.687 -12.912 -2.266 1.00 0.00 C ATOM 469 CD PRO A 65 5.965 -11.934 -1.186 1.00 0.00 C ATOM 0 HA PRO A 65 8.641 -13.734 -1.041 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.876 -14.517 -3.027 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.450 -14.678 -1.335 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.745 -12.444 -3.249 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.686 -13.332 -2.172 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.577 -10.944 -1.426 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.512 -12.234 -0.241 1.00 0.00 H new ATOM 477 N SER A 66 8.369 -12.009 -3.811 1.00 0.00 N ATOM 478 CA SER A 66 9.164 -11.648 -5.012 1.00 0.00 C ATOM 479 C SER A 66 8.388 -10.669 -5.859 1.00 0.00 C ATOM 480 O SER A 66 7.345 -10.957 -6.414 1.00 0.00 O ATOM 481 CB SER A 66 9.434 -12.956 -5.753 1.00 0.00 C ATOM 482 OG SER A 66 10.794 -13.326 -5.573 1.00 0.00 O ATOM 0 H SER A 66 7.461 -11.551 -3.739 1.00 0.00 H new ATOM 0 HA SER A 66 10.105 -11.162 -4.756 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.779 -13.742 -5.378 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.215 -12.838 -6.814 1.00 0.00 H new ATOM 0 HG SER A 66 10.963 -13.500 -4.623 1.00 0.00 H new ATOM 488 N ILE A 67 8.892 -9.492 -5.889 1.00 0.00 N ATOM 489 CA ILE A 67 8.249 -8.391 -6.597 1.00 0.00 C ATOM 490 C ILE A 67 8.990 -8.038 -7.887 1.00 0.00 C ATOM 491 O ILE A 67 10.197 -7.900 -7.906 1.00 0.00 O ATOM 492 CB ILE A 67 8.362 -7.284 -5.560 1.00 0.00 C ATOM 493 CG1 ILE A 67 7.193 -7.397 -4.583 1.00 0.00 C ATOM 494 CG2 ILE A 67 8.356 -5.906 -6.225 1.00 0.00 C ATOM 495 CD1 ILE A 67 7.084 -8.847 -4.105 1.00 0.00 C ATOM 0 H ILE A 67 9.766 -9.239 -5.428 1.00 0.00 H new ATOM 0 HA ILE A 67 7.231 -8.598 -6.926 1.00 0.00 H new ATOM 0 HB ILE A 67 9.306 -7.395 -5.026 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.346 -6.731 -3.734 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.266 -7.089 -5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.438 -5.133 -5.461 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.200 -5.829 -6.911 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.426 -5.773 -6.778 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.252 -8.938 -3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.913 -9.500 -4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.009 -9.136 -3.607 1.00 0.00 H new ATOM 507 N VAL A 68 8.269 -7.866 -8.959 1.00 0.00 N ATOM 508 CA VAL A 68 8.932 -7.488 -10.242 1.00 0.00 C ATOM 509 C VAL A 68 8.952 -5.960 -10.355 1.00 0.00 C ATOM 510 O VAL A 68 7.993 -5.294 -10.019 1.00 0.00 O ATOM 511 CB VAL A 68 8.092 -8.137 -11.364 1.00 0.00 C ATOM 512 CG1 VAL A 68 7.795 -7.133 -12.489 1.00 0.00 C ATOM 513 CG2 VAL A 68 8.866 -9.313 -11.957 1.00 0.00 C ATOM 0 H VAL A 68 7.255 -7.970 -9.005 1.00 0.00 H new ATOM 0 HA VAL A 68 9.965 -7.831 -10.305 1.00 0.00 H new ATOM 0 HB VAL A 68 7.149 -8.471 -10.931 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.202 -7.619 -13.264 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.239 -6.287 -12.084 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.733 -6.779 -12.918 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.276 -9.774 -12.749 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.811 -8.957 -12.368 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.064 -10.049 -11.177 1.00 0.00 H new ATOM 523 N VAL A 69 10.030 -5.401 -10.821 1.00 0.00 N ATOM 524 CA VAL A 69 10.095 -3.919 -10.945 1.00 0.00 C ATOM 525 C VAL A 69 9.946 -3.502 -12.406 1.00 0.00 C ATOM 526 O VAL A 69 10.913 -3.371 -13.131 1.00 0.00 O ATOM 527 CB VAL A 69 11.468 -3.538 -10.405 1.00 0.00 C ATOM 528 CG1 VAL A 69 11.703 -2.042 -10.627 1.00 0.00 C ATOM 529 CG2 VAL A 69 11.519 -3.854 -8.908 1.00 0.00 C ATOM 0 H VAL A 69 10.866 -5.902 -11.121 1.00 0.00 H new ATOM 0 HA VAL A 69 9.294 -3.421 -10.398 1.00 0.00 H new ATOM 0 HB VAL A 69 12.242 -4.103 -10.924 1.00 0.00 H new ATOM 0 HG11 VAL A 69 12.685 -1.767 -10.241 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.657 -1.821 -11.693 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.935 -1.472 -10.104 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.498 -3.585 -8.512 1.00 0.00 H new ATOM 0 HG22 VAL A 69 10.749 -3.283 -8.389 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.346 -4.919 -8.755 1.00 0.00 H new ATOM 539 N GLU A 70 8.737 -3.292 -12.842 1.00 0.00 N ATOM 540 CA GLU A 70 8.511 -2.881 -14.255 1.00 0.00 C ATOM 541 C GLU A 70 8.727 -1.370 -14.409 1.00 0.00 C ATOM 542 O GLU A 70 7.890 -0.670 -14.949 1.00 0.00 O ATOM 543 CB GLU A 70 7.051 -3.206 -14.531 1.00 0.00 C ATOM 544 CG GLU A 70 6.907 -4.535 -15.244 1.00 0.00 C ATOM 545 CD GLU A 70 6.251 -5.562 -14.320 1.00 0.00 C ATOM 546 OE1 GLU A 70 5.949 -5.210 -13.192 1.00 0.00 O ATOM 547 OE2 GLU A 70 6.056 -6.682 -14.761 1.00 0.00 O ATOM 0 H GLU A 70 7.892 -3.388 -12.279 1.00 0.00 H new ATOM 0 HA GLU A 70 9.194 -3.387 -14.937 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.499 -3.233 -13.592 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.609 -2.416 -15.138 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.306 -4.409 -16.145 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.886 -4.894 -15.561 1.00 0.00 H new ATOM 554 N ASP A 71 9.827 -0.858 -13.937 1.00 0.00 N ATOM 555 CA ASP A 71 10.076 0.609 -14.060 1.00 0.00 C ATOM 556 C ASP A 71 10.523 0.949 -15.484 1.00 0.00 C ATOM 557 O ASP A 71 11.619 0.620 -15.893 1.00 0.00 O ATOM 558 CB ASP A 71 11.197 0.898 -13.058 1.00 0.00 C ATOM 559 CG ASP A 71 11.855 2.240 -13.390 1.00 0.00 C ATOM 560 OD1 ASP A 71 11.174 3.248 -13.309 1.00 0.00 O ATOM 561 OD2 ASP A 71 13.031 2.234 -13.718 1.00 0.00 O ATOM 0 H ASP A 71 10.564 -1.387 -13.472 1.00 0.00 H new ATOM 0 HA ASP A 71 9.185 1.203 -13.859 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.795 0.920 -12.045 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.940 0.101 -13.089 1.00 0.00 H new ATOM 566 N LYS A 72 9.689 1.607 -16.246 1.00 0.00 N ATOM 567 CA LYS A 72 10.083 1.961 -17.636 1.00 0.00 C ATOM 568 C LYS A 72 9.840 3.449 -17.877 1.00 0.00 C ATOM 569 O LYS A 72 8.870 4.008 -17.408 1.00 0.00 O ATOM 570 CB LYS A 72 9.178 1.115 -18.533 1.00 0.00 C ATOM 571 CG LYS A 72 9.961 0.658 -19.765 1.00 0.00 C ATOM 572 CD LYS A 72 9.152 -0.399 -20.523 1.00 0.00 C ATOM 573 CE LYS A 72 10.009 -0.995 -21.644 1.00 0.00 C ATOM 574 NZ LYS A 72 9.048 -1.356 -22.728 1.00 0.00 N ATOM 0 H LYS A 72 8.757 1.912 -15.965 1.00 0.00 H new ATOM 0 HA LYS A 72 11.138 1.770 -17.833 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.809 0.250 -17.982 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.306 1.694 -18.838 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.166 1.509 -20.415 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.925 0.247 -19.464 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.831 -1.185 -19.840 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.250 0.049 -20.940 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.748 -0.276 -21.998 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.557 -1.871 -21.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.567 -1.770 -23.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.360 -2.047 -22.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.546 -0.502 -23.046 1.00 0.00 H new ATOM 588 N ALA A 73 10.710 4.096 -18.602 1.00 0.00 N ATOM 589 CA ALA A 73 10.519 5.548 -18.869 1.00 0.00 C ATOM 590 C ALA A 73 9.129 5.783 -19.461 1.00 0.00 C ATOM 591 O ALA A 73 8.951 5.800 -20.663 1.00 0.00 O ATOM 592 CB ALA A 73 11.602 5.910 -19.883 1.00 0.00 C ATOM 0 H ALA A 73 11.543 3.682 -19.020 1.00 0.00 H new ATOM 0 HA ALA A 73 10.593 6.154 -17.966 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.528 6.969 -20.132 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.584 5.706 -19.455 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.469 5.314 -20.786 1.00 0.00 H new ATOM 598 N GLY A 74 8.139 5.951 -18.629 1.00 0.00 N ATOM 599 CA GLY A 74 6.764 6.170 -19.149 1.00 0.00 C ATOM 600 C GLY A 74 5.752 5.817 -18.072 1.00 0.00 C ATOM 601 O GLY A 74 4.838 6.562 -17.780 1.00 0.00 O ATOM 0 H GLY A 74 8.224 5.946 -17.613 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.640 7.209 -19.453 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.597 5.557 -20.035 1.00 0.00 H new ATOM 605 N PHE A 75 5.914 4.674 -17.487 1.00 0.00 N ATOM 606 CA PHE A 75 4.966 4.234 -16.423 1.00 0.00 C ATOM 607 C PHE A 75 5.712 3.464 -15.327 1.00 0.00 C ATOM 608 O PHE A 75 6.659 2.744 -15.585 1.00 0.00 O ATOM 609 CB PHE A 75 3.972 3.323 -17.144 1.00 0.00 C ATOM 610 CG PHE A 75 2.759 4.125 -17.551 1.00 0.00 C ATOM 611 CD1 PHE A 75 2.844 5.032 -18.614 1.00 0.00 C ATOM 612 CD2 PHE A 75 1.550 3.961 -16.865 1.00 0.00 C ATOM 613 CE1 PHE A 75 1.719 5.776 -18.991 1.00 0.00 C ATOM 614 CE2 PHE A 75 0.425 4.705 -17.242 1.00 0.00 C ATOM 615 CZ PHE A 75 0.509 5.613 -18.305 1.00 0.00 C ATOM 0 H PHE A 75 6.665 4.016 -17.696 1.00 0.00 H new ATOM 0 HA PHE A 75 4.473 5.073 -15.932 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.440 2.880 -18.023 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.676 2.501 -16.492 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.777 5.158 -19.143 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.485 3.261 -16.045 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.785 6.476 -19.811 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.508 4.578 -16.713 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.359 6.187 -18.595 1.00 0.00 H new ATOM 625 N TRP A 76 5.282 3.616 -14.106 1.00 0.00 N ATOM 626 CA TRP A 76 5.939 2.907 -12.970 1.00 0.00 C ATOM 627 C TRP A 76 5.211 1.599 -12.681 1.00 0.00 C ATOM 628 O TRP A 76 4.415 1.508 -11.767 1.00 0.00 O ATOM 629 CB TRP A 76 5.796 3.869 -11.795 1.00 0.00 C ATOM 630 CG TRP A 76 6.322 3.239 -10.568 1.00 0.00 C ATOM 631 CD1 TRP A 76 7.301 2.320 -10.532 1.00 0.00 C ATOM 632 CD2 TRP A 76 5.945 3.496 -9.189 1.00 0.00 C ATOM 633 NE1 TRP A 76 7.537 1.973 -9.229 1.00 0.00 N ATOM 634 CE2 TRP A 76 6.720 2.670 -8.355 1.00 0.00 C ATOM 635 CE3 TRP A 76 5.007 4.352 -8.596 1.00 0.00 C ATOM 636 CZ2 TRP A 76 6.574 2.693 -6.967 1.00 0.00 C ATOM 637 CZ3 TRP A 76 4.854 4.382 -7.204 1.00 0.00 C ATOM 638 CH2 TRP A 76 5.636 3.553 -6.389 1.00 0.00 C ATOM 0 H TRP A 76 4.494 4.208 -13.843 1.00 0.00 H new ATOM 0 HA TRP A 76 6.979 2.652 -13.174 1.00 0.00 H new ATOM 0 HB2 TRP A 76 6.337 4.793 -12.001 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.748 4.137 -11.657 1.00 0.00 H new ATOM 0 HD1 TRP A 76 7.818 1.920 -11.392 1.00 0.00 H new ATOM 0 HE1 TRP A 76 8.231 1.284 -8.937 1.00 0.00 H new ATOM 0 HE3 TRP A 76 4.398 4.993 -9.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 7.181 2.052 -6.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 4.130 5.047 -6.757 1.00 0.00 H new ATOM 0 HH2 TRP A 76 5.514 3.578 -5.316 1.00 0.00 H new ATOM 649 N TRP A 77 5.481 0.581 -13.448 1.00 0.00 N ATOM 650 CA TRP A 77 4.807 -0.717 -13.207 1.00 0.00 C ATOM 651 C TRP A 77 5.623 -1.523 -12.189 1.00 0.00 C ATOM 652 O TRP A 77 6.813 -1.709 -12.345 1.00 0.00 O ATOM 653 CB TRP A 77 4.783 -1.407 -14.580 1.00 0.00 C ATOM 654 CG TRP A 77 3.609 -0.930 -15.367 1.00 0.00 C ATOM 655 CD1 TRP A 77 3.298 0.368 -15.578 1.00 0.00 C ATOM 656 CD2 TRP A 77 2.601 -1.714 -16.067 1.00 0.00 C ATOM 657 NE1 TRP A 77 2.150 0.432 -16.347 1.00 0.00 N ATOM 658 CE2 TRP A 77 1.685 -0.826 -16.678 1.00 0.00 C ATOM 659 CE3 TRP A 77 2.391 -3.095 -16.225 1.00 0.00 C ATOM 660 CZ2 TRP A 77 0.599 -1.289 -17.419 1.00 0.00 C ATOM 661 CZ3 TRP A 77 1.297 -3.566 -16.972 1.00 0.00 C ATOM 662 CH2 TRP A 77 0.405 -2.664 -17.568 1.00 0.00 C ATOM 0 H TRP A 77 6.138 0.594 -14.228 1.00 0.00 H new ATOM 0 HA TRP A 77 3.801 -0.615 -12.801 1.00 0.00 H new ATOM 0 HB2 TRP A 77 5.705 -1.193 -15.120 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.731 -2.488 -14.453 1.00 0.00 H new ATOM 0 HD1 TRP A 77 3.854 1.216 -15.207 1.00 0.00 H new ATOM 0 HE1 TRP A 77 1.702 1.302 -16.635 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.073 -3.798 -15.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.087 -0.590 -17.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.143 -4.629 -17.087 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -0.432 -3.032 -18.142 1.00 0.00 H new ATOM 673 N ILE A 78 4.992 -2.001 -11.152 1.00 0.00 N ATOM 674 CA ILE A 78 5.711 -2.800 -10.117 1.00 0.00 C ATOM 675 C ILE A 78 4.873 -4.059 -9.858 1.00 0.00 C ATOM 676 O ILE A 78 3.670 -3.987 -9.781 1.00 0.00 O ATOM 677 CB ILE A 78 5.764 -1.888 -8.870 1.00 0.00 C ATOM 678 CG1 ILE A 78 7.104 -1.121 -8.768 1.00 0.00 C ATOM 679 CG2 ILE A 78 5.609 -2.736 -7.604 1.00 0.00 C ATOM 680 CD1 ILE A 78 7.730 -0.870 -10.139 1.00 0.00 C ATOM 0 H ILE A 78 3.996 -1.871 -10.975 1.00 0.00 H new ATOM 0 HA ILE A 78 6.717 -3.109 -10.402 1.00 0.00 H new ATOM 0 HB ILE A 78 4.952 -1.167 -8.965 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.938 -0.168 -8.266 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.800 -1.689 -8.151 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.647 -2.090 -6.727 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.652 -3.257 -7.630 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.418 -3.465 -7.553 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.668 -0.329 -10.017 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.922 -1.823 -10.631 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.047 -0.278 -10.748 1.00 0.00 H new ATOM 692 N LYS A 79 5.474 -5.205 -9.741 1.00 0.00 N ATOM 693 CA LYS A 79 4.655 -6.434 -9.510 1.00 0.00 C ATOM 694 C LYS A 79 5.009 -7.080 -8.165 1.00 0.00 C ATOM 695 O LYS A 79 6.151 -7.099 -7.754 1.00 0.00 O ATOM 696 CB LYS A 79 4.997 -7.356 -10.692 1.00 0.00 C ATOM 697 CG LYS A 79 5.003 -8.826 -10.252 1.00 0.00 C ATOM 698 CD LYS A 79 4.970 -9.729 -11.486 1.00 0.00 C ATOM 699 CE LYS A 79 5.518 -11.110 -11.120 1.00 0.00 C ATOM 700 NZ LYS A 79 4.367 -11.829 -10.508 1.00 0.00 N ATOM 0 H LYS A 79 6.482 -5.350 -9.793 1.00 0.00 H new ATOM 0 HA LYS A 79 3.587 -6.222 -9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.270 -7.214 -11.492 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.973 -7.089 -11.097 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.893 -9.035 -9.659 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.141 -9.030 -9.616 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.949 -9.818 -11.858 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.565 -9.290 -12.287 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.888 -11.634 -12.001 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.351 -11.032 -10.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.664 -12.786 -10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.040 -11.310 -9.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.592 -11.894 -11.198 1.00 0.00 H new ATOM 714 N ALA A 80 4.030 -7.618 -7.489 1.00 0.00 N ATOM 715 CA ALA A 80 4.294 -8.275 -6.178 1.00 0.00 C ATOM 716 C ALA A 80 3.571 -9.623 -6.112 1.00 0.00 C ATOM 717 O ALA A 80 2.417 -9.736 -6.477 1.00 0.00 O ATOM 718 CB ALA A 80 3.731 -7.313 -5.131 1.00 0.00 C ATOM 0 H ALA A 80 3.056 -7.630 -7.790 1.00 0.00 H new ATOM 0 HA ALA A 80 5.354 -8.473 -6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.887 -7.727 -4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.240 -6.352 -5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.664 -7.173 -5.302 1.00 0.00 H new ATOM 724 N ASP A 81 4.239 -10.647 -5.654 1.00 0.00 N ATOM 725 CA ASP A 81 3.583 -11.985 -5.571 1.00 0.00 C ATOM 726 C ASP A 81 2.825 -12.122 -4.251 1.00 0.00 C ATOM 727 O ASP A 81 2.987 -13.082 -3.524 1.00 0.00 O ATOM 728 CB ASP A 81 4.729 -12.995 -5.645 1.00 0.00 C ATOM 729 CG ASP A 81 4.324 -14.161 -6.549 1.00 0.00 C ATOM 730 OD1 ASP A 81 3.256 -14.708 -6.335 1.00 0.00 O ATOM 731 OD2 ASP A 81 5.091 -14.487 -7.440 1.00 0.00 O ATOM 0 H ASP A 81 5.207 -10.616 -5.335 1.00 0.00 H new ATOM 0 HA ASP A 81 2.856 -12.139 -6.368 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.627 -12.514 -6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.970 -13.361 -4.647 1.00 0.00 H new ATOM 736 N GLY A 82 1.997 -11.168 -3.942 1.00 0.00 N ATOM 737 CA GLY A 82 1.221 -11.224 -2.689 1.00 0.00 C ATOM 738 C GLY A 82 0.176 -10.108 -2.693 1.00 0.00 C ATOM 739 O GLY A 82 -0.669 -10.038 -3.564 1.00 0.00 O ATOM 0 H GLY A 82 1.827 -10.342 -4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.734 -12.194 -2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.885 -11.114 -1.831 1.00 0.00 H new ATOM 743 N ALA A 83 0.236 -9.228 -1.734 1.00 0.00 N ATOM 744 CA ALA A 83 -0.742 -8.106 -1.688 1.00 0.00 C ATOM 745 C ALA A 83 -0.009 -6.785 -1.917 1.00 0.00 C ATOM 746 O ALA A 83 1.200 -6.716 -1.824 1.00 0.00 O ATOM 747 CB ALA A 83 -1.343 -8.154 -0.283 1.00 0.00 C ATOM 0 H ALA A 83 0.921 -9.237 -0.979 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.513 -8.189 -2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.075 -7.354 -0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.831 -9.116 -0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.552 -8.026 0.456 1.00 0.00 H new ATOM 753 N ILE A 84 -0.719 -5.735 -2.221 1.00 0.00 N ATOM 754 CA ILE A 84 -0.039 -4.431 -2.456 1.00 0.00 C ATOM 755 C ILE A 84 -0.934 -3.272 -2.017 1.00 0.00 C ATOM 756 O ILE A 84 -2.141 -3.311 -2.165 1.00 0.00 O ATOM 757 CB ILE A 84 0.206 -4.382 -3.963 1.00 0.00 C ATOM 758 CG1 ILE A 84 0.965 -3.103 -4.310 1.00 0.00 C ATOM 759 CG2 ILE A 84 -1.131 -4.397 -4.703 1.00 0.00 C ATOM 760 CD1 ILE A 84 2.451 -3.311 -4.024 1.00 0.00 C ATOM 0 H ILE A 84 -1.734 -5.723 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 84 0.887 -4.341 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 84 0.793 -5.250 -4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.816 -2.850 -5.360 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.582 -2.268 -3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.952 -4.362 -5.778 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.674 -5.309 -4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.722 -3.531 -4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.000 -2.402 -4.269 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.589 -3.544 -2.968 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.826 -4.136 -4.630 1.00 0.00 H new ATOM 772 N GLU A 85 -0.348 -2.237 -1.481 1.00 0.00 N ATOM 773 CA GLU A 85 -1.144 -1.081 -1.039 1.00 0.00 C ATOM 774 C GLU A 85 -0.669 0.189 -1.748 1.00 0.00 C ATOM 775 O GLU A 85 0.481 0.317 -2.121 1.00 0.00 O ATOM 776 CB GLU A 85 -0.928 -0.983 0.470 1.00 0.00 C ATOM 777 CG GLU A 85 -1.461 -2.249 1.145 1.00 0.00 C ATOM 778 CD GLU A 85 -0.444 -2.747 2.173 1.00 0.00 C ATOM 779 OE1 GLU A 85 0.670 -3.047 1.777 1.00 0.00 O ATOM 780 OE2 GLU A 85 -0.796 -2.822 3.338 1.00 0.00 O ATOM 0 H GLU A 85 0.658 -2.151 -1.333 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.201 -1.197 -1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.133 -0.860 0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.439 -0.105 0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.414 -2.041 1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.647 -3.021 0.398 1.00 0.00 H new ATOM 787 N ILE A 86 -1.555 1.119 -1.949 1.00 0.00 N ATOM 788 CA ILE A 86 -1.192 2.367 -2.640 1.00 0.00 C ATOM 789 C ILE A 86 -2.243 3.447 -2.342 1.00 0.00 C ATOM 790 O ILE A 86 -3.294 3.168 -1.800 1.00 0.00 O ATOM 791 CB ILE A 86 -1.144 1.957 -4.108 1.00 0.00 C ATOM 792 CG1 ILE A 86 0.278 2.108 -4.619 1.00 0.00 C ATOM 793 CG2 ILE A 86 -2.109 2.805 -4.944 1.00 0.00 C ATOM 794 CD1 ILE A 86 0.425 3.496 -5.165 1.00 0.00 C ATOM 0 H ILE A 86 -2.530 1.059 -1.656 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.244 2.803 -2.325 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.455 0.916 -4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.993 1.937 -3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.486 1.369 -5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.057 2.494 -5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.126 2.669 -4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.832 3.856 -4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.439 3.634 -5.540 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.286 3.644 -5.978 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.229 4.221 -4.375 1.00 0.00 H new ATOM 806 N ASP A 87 -1.971 4.672 -2.692 1.00 0.00 N ATOM 807 CA ASP A 87 -2.961 5.753 -2.424 1.00 0.00 C ATOM 808 C ASP A 87 -3.038 6.720 -3.591 1.00 0.00 C ATOM 809 O ASP A 87 -2.428 6.532 -4.625 1.00 0.00 O ATOM 810 CB ASP A 87 -2.418 6.519 -1.231 1.00 0.00 C ATOM 811 CG ASP A 87 -2.320 5.600 -0.012 1.00 0.00 C ATOM 812 OD1 ASP A 87 -3.033 4.611 0.018 1.00 0.00 O ATOM 813 OD2 ASP A 87 -1.534 5.901 0.872 1.00 0.00 O ATOM 0 H ASP A 87 -1.110 4.972 -3.150 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.951 5.329 -2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.435 6.926 -1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.068 7.365 -1.006 1.00 0.00 H new ATOM 818 N ALA A 88 -3.768 7.778 -3.407 1.00 0.00 N ATOM 819 CA ALA A 88 -3.875 8.801 -4.474 1.00 0.00 C ATOM 820 C ALA A 88 -3.640 10.208 -3.885 1.00 0.00 C ATOM 821 O ALA A 88 -3.325 11.151 -4.596 1.00 0.00 O ATOM 822 CB ALA A 88 -5.296 8.646 -5.038 1.00 0.00 C ATOM 0 H ALA A 88 -4.298 7.979 -2.559 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.128 8.672 -5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.452 9.372 -5.836 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.422 7.639 -5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.023 8.817 -4.244 1.00 0.00 H new ATOM 828 N ALA A 89 -3.778 10.354 -2.587 1.00 0.00 N ATOM 829 CA ALA A 89 -3.560 11.679 -1.938 1.00 0.00 C ATOM 830 C ALA A 89 -2.352 12.385 -2.553 1.00 0.00 C ATOM 831 O ALA A 89 -2.400 13.557 -2.875 1.00 0.00 O ATOM 832 CB ALA A 89 -3.302 11.350 -0.471 1.00 0.00 C ATOM 0 H ALA A 89 -4.035 9.602 -1.948 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.409 12.350 -2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.130 12.272 0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.167 10.833 -0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.424 10.710 -0.391 1.00 0.00 H new ATOM 838 N GLU A 90 -1.271 11.681 -2.721 1.00 0.00 N ATOM 839 CA GLU A 90 -0.057 12.311 -3.317 1.00 0.00 C ATOM 840 C GLU A 90 -0.442 13.071 -4.586 1.00 0.00 C ATOM 841 O GLU A 90 -0.174 14.250 -4.734 1.00 0.00 O ATOM 842 CB GLU A 90 0.864 11.137 -3.652 1.00 0.00 C ATOM 843 CG GLU A 90 2.198 11.668 -4.182 1.00 0.00 C ATOM 844 CD GLU A 90 3.205 11.744 -3.032 1.00 0.00 C ATOM 845 OE1 GLU A 90 3.896 10.764 -2.811 1.00 0.00 O ATOM 846 OE2 GLU A 90 3.265 12.780 -2.391 1.00 0.00 O ATOM 0 H GLU A 90 -1.172 10.697 -2.473 1.00 0.00 H new ATOM 0 HA GLU A 90 0.421 13.025 -2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.030 10.527 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.395 10.494 -4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 90 2.576 11.015 -4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 90 2.060 12.654 -4.625 1.00 0.00 H new ATOM 853 N ALA A 91 -1.082 12.403 -5.495 1.00 0.00 N ATOM 854 CA ALA A 91 -1.506 13.071 -6.753 1.00 0.00 C ATOM 855 C ALA A 91 -2.294 14.339 -6.423 1.00 0.00 C ATOM 856 O ALA A 91 -2.303 15.290 -7.180 1.00 0.00 O ATOM 857 CB ALA A 91 -2.385 12.033 -7.458 1.00 0.00 C ATOM 0 H ALA A 91 -1.332 11.417 -5.423 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.670 13.381 -7.380 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.745 12.442 -8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.801 11.133 -7.652 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.235 11.784 -6.823 1.00 0.00 H new ATOM 863 N GLY A 92 -2.950 14.367 -5.296 1.00 0.00 N ATOM 864 CA GLY A 92 -3.727 15.588 -4.926 1.00 0.00 C ATOM 865 C GLY A 92 -2.750 16.698 -4.584 1.00 0.00 C ATOM 866 O GLY A 92 -3.000 17.865 -4.814 1.00 0.00 O ATOM 0 H GLY A 92 -2.983 13.605 -4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.371 15.892 -5.752 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -4.376 15.380 -4.076 1.00 0.00 H new ATOM 870 N GLU A 93 -1.625 16.331 -4.066 1.00 0.00 N ATOM 871 CA GLU A 93 -0.590 17.345 -3.735 1.00 0.00 C ATOM 872 C GLU A 93 -0.042 17.888 -5.049 1.00 0.00 C ATOM 873 O GLU A 93 0.454 18.994 -5.131 1.00 0.00 O ATOM 874 CB GLU A 93 0.488 16.591 -2.954 1.00 0.00 C ATOM 875 CG GLU A 93 -0.180 15.660 -1.940 1.00 0.00 C ATOM 876 CD GLU A 93 0.827 15.268 -0.856 1.00 0.00 C ATOM 877 OE1 GLU A 93 1.362 16.162 -0.220 1.00 0.00 O ATOM 878 OE2 GLU A 93 1.043 14.080 -0.676 1.00 0.00 O ATOM 0 H GLU A 93 -1.370 15.366 -3.854 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.966 18.182 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.113 16.015 -3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.142 17.296 -2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.040 16.155 -1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.554 14.768 -2.442 1.00 0.00 H new ATOM 885 N LEU A 94 -0.161 17.105 -6.087 1.00 0.00 N ATOM 886 CA LEU A 94 0.310 17.542 -7.427 1.00 0.00 C ATOM 887 C LEU A 94 -0.725 18.490 -8.042 1.00 0.00 C ATOM 888 O LEU A 94 -0.432 19.627 -8.352 1.00 0.00 O ATOM 889 CB LEU A 94 0.399 16.247 -8.234 1.00 0.00 C ATOM 890 CG LEU A 94 1.301 16.442 -9.453 1.00 0.00 C ATOM 891 CD1 LEU A 94 1.066 15.295 -10.434 1.00 0.00 C ATOM 892 CD2 LEU A 94 0.969 17.771 -10.138 1.00 0.00 C ATOM 0 H LEU A 94 -0.570 16.171 -6.060 1.00 0.00 H new ATOM 0 HA LEU A 94 1.261 18.074 -7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.791 15.446 -7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.597 15.942 -8.555 1.00 0.00 H new ATOM 0 HG LEU A 94 2.344 16.454 -9.136 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.706 15.426 -11.307 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.303 14.348 -9.950 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.022 15.292 -10.747 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.615 17.904 -11.006 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.073 17.765 -10.459 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.128 18.591 -9.438 1.00 0.00 H new ATOM 904 N LEU A 95 -1.939 18.031 -8.217 1.00 0.00 N ATOM 905 CA LEU A 95 -2.990 18.922 -8.810 1.00 0.00 C ATOM 906 C LEU A 95 -4.039 19.305 -7.759 1.00 0.00 C ATOM 907 O LEU A 95 -4.635 20.362 -7.821 1.00 0.00 O ATOM 908 CB LEU A 95 -3.644 18.138 -9.946 1.00 0.00 C ATOM 909 CG LEU A 95 -3.728 16.669 -9.576 1.00 0.00 C ATOM 910 CD1 LEU A 95 -4.904 16.035 -10.309 1.00 0.00 C ATOM 911 CD2 LEU A 95 -2.425 15.983 -9.981 1.00 0.00 C ATOM 0 H LEU A 95 -2.248 17.089 -7.979 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.545 19.848 -9.174 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.642 18.530 -10.143 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.067 18.259 -10.863 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.876 16.557 -8.502 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.969 14.979 -10.047 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.827 16.538 -10.020 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.758 16.134 -11.385 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.474 14.926 -9.720 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.279 16.085 -11.056 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.591 16.448 -9.456 1.00 0.00 H new ATOM 923 N GLY A 96 -4.267 18.457 -6.795 1.00 0.00 N ATOM 924 CA GLY A 96 -5.276 18.778 -5.739 1.00 0.00 C ATOM 925 C GLY A 96 -6.691 18.772 -6.335 1.00 0.00 C ATOM 926 O GLY A 96 -7.498 19.633 -6.050 1.00 0.00 O ATOM 0 H GLY A 96 -3.801 17.556 -6.690 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.211 18.049 -4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.061 19.755 -5.305 1.00 0.00 H new ATOM 930 N LYS A 97 -6.991 17.811 -7.164 1.00 0.00 N ATOM 931 CA LYS A 97 -8.360 17.748 -7.791 1.00 0.00 C ATOM 932 C LYS A 97 -8.929 16.292 -7.687 1.00 0.00 C ATOM 933 O LYS A 97 -8.821 15.703 -6.631 1.00 0.00 O ATOM 934 CB LYS A 97 -8.095 18.228 -9.222 1.00 0.00 C ATOM 935 CG LYS A 97 -7.315 19.546 -9.165 1.00 0.00 C ATOM 936 CD LYS A 97 -7.302 20.205 -10.548 1.00 0.00 C ATOM 937 CE LYS A 97 -6.528 21.525 -10.473 1.00 0.00 C ATOM 938 NZ LYS A 97 -5.840 21.644 -11.788 1.00 0.00 N ATOM 0 H LYS A 97 -6.355 17.063 -7.440 1.00 0.00 H new ATOM 0 HA LYS A 97 -9.124 18.359 -7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.528 17.478 -9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.036 18.369 -9.753 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.771 20.217 -8.437 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -6.294 19.360 -8.832 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.839 19.539 -11.276 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.322 20.387 -10.886 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.199 22.367 -10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.811 21.516 -9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.288 22.525 -11.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.203 20.833 -11.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.548 21.657 -12.550 1.00 0.00 H new ATOM 952 N PRO A 98 -9.507 15.713 -8.744 1.00 0.00 N ATOM 953 CA PRO A 98 -10.013 14.310 -8.623 1.00 0.00 C ATOM 954 C PRO A 98 -8.818 13.363 -8.561 1.00 0.00 C ATOM 955 O PRO A 98 -8.958 12.173 -8.359 1.00 0.00 O ATOM 956 CB PRO A 98 -10.842 14.103 -9.883 1.00 0.00 C ATOM 957 CG PRO A 98 -10.303 15.080 -10.873 1.00 0.00 C ATOM 958 CD PRO A 98 -9.744 16.247 -10.099 1.00 0.00 C ATOM 0 HA PRO A 98 -10.607 14.123 -7.729 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -10.752 13.081 -10.250 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -11.900 14.280 -9.691 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -9.527 14.618 -11.484 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -11.089 15.411 -11.552 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -8.821 16.615 -10.547 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -10.444 17.082 -10.080 1.00 0.00 H new ATOM 966 N PHE A 99 -7.641 13.917 -8.710 1.00 0.00 N ATOM 967 CA PHE A 99 -6.382 13.135 -8.641 1.00 0.00 C ATOM 968 C PHE A 99 -6.541 11.882 -7.781 1.00 0.00 C ATOM 969 O PHE A 99 -6.039 10.827 -8.091 1.00 0.00 O ATOM 970 CB PHE A 99 -5.414 14.113 -7.955 1.00 0.00 C ATOM 971 CG PHE A 99 -5.628 14.060 -6.449 1.00 0.00 C ATOM 972 CD1 PHE A 99 -5.073 13.016 -5.697 1.00 0.00 C ATOM 973 CD2 PHE A 99 -6.420 15.022 -5.813 1.00 0.00 C ATOM 974 CE1 PHE A 99 -5.308 12.945 -4.321 1.00 0.00 C ATOM 975 CE2 PHE A 99 -6.656 14.947 -4.436 1.00 0.00 C ATOM 976 CZ PHE A 99 -6.099 13.907 -3.690 1.00 0.00 C ATOM 0 H PHE A 99 -7.504 14.913 -8.882 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.053 12.786 -9.620 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.384 13.852 -8.197 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.581 15.126 -8.322 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.464 12.267 -6.180 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -6.852 15.827 -6.388 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.875 12.142 -3.743 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.268 15.693 -3.951 1.00 0.00 H new ATOM 0 HZ PHE A 99 -6.280 13.847 -2.627 1.00 0.00 H new ATOM 986 N SER A 100 -7.201 12.008 -6.674 1.00 0.00 N ATOM 987 CA SER A 100 -7.338 10.846 -5.778 1.00 0.00 C ATOM 988 C SER A 100 -7.871 9.677 -6.575 1.00 0.00 C ATOM 989 O SER A 100 -7.329 8.584 -6.581 1.00 0.00 O ATOM 990 CB SER A 100 -8.347 11.283 -4.717 1.00 0.00 C ATOM 991 OG SER A 100 -7.939 10.785 -3.450 1.00 0.00 O ATOM 0 H SER A 100 -7.650 12.866 -6.353 1.00 0.00 H new ATOM 0 HA SER A 100 -6.395 10.537 -5.326 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.415 12.371 -4.689 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.340 10.908 -4.966 1.00 0.00 H new ATOM 0 HG SER A 100 -8.583 11.065 -2.766 1.00 0.00 H new ATOM 997 N VAL A 101 -8.947 9.901 -7.237 1.00 0.00 N ATOM 998 CA VAL A 101 -9.559 8.817 -8.006 1.00 0.00 C ATOM 999 C VAL A 101 -9.296 8.904 -9.502 1.00 0.00 C ATOM 1000 O VAL A 101 -8.940 7.923 -10.120 1.00 0.00 O ATOM 1001 CB VAL A 101 -10.992 8.966 -7.686 1.00 0.00 C ATOM 1002 CG1 VAL A 101 -11.772 7.885 -8.420 1.00 0.00 C ATOM 1003 CG2 VAL A 101 -11.154 8.816 -6.173 1.00 0.00 C ATOM 0 H VAL A 101 -9.433 10.797 -7.279 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.147 7.842 -7.745 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.370 9.940 -7.997 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.833 7.984 -8.192 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.620 7.992 -9.494 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -11.422 6.903 -8.100 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -12.206 8.922 -5.907 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.799 7.833 -5.865 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.573 9.587 -5.667 1.00 0.00 H new ATOM 1013 N TYR A 102 -9.445 10.040 -10.111 1.00 0.00 N ATOM 1014 CA TYR A 102 -9.165 10.080 -11.566 1.00 0.00 C ATOM 1015 C TYR A 102 -7.780 9.483 -11.785 1.00 0.00 C ATOM 1016 O TYR A 102 -7.501 8.824 -12.776 1.00 0.00 O ATOM 1017 CB TYR A 102 -9.197 11.554 -11.956 1.00 0.00 C ATOM 1018 CG TYR A 102 -9.088 11.671 -13.456 1.00 0.00 C ATOM 1019 CD1 TYR A 102 -10.231 11.542 -14.253 1.00 0.00 C ATOM 1020 CD2 TYR A 102 -7.842 11.900 -14.048 1.00 0.00 C ATOM 1021 CE1 TYR A 102 -10.128 11.646 -15.644 1.00 0.00 C ATOM 1022 CE2 TYR A 102 -7.739 12.004 -15.441 1.00 0.00 C ATOM 1023 CZ TYR A 102 -8.881 11.876 -16.237 1.00 0.00 C ATOM 1024 OH TYR A 102 -8.781 11.976 -17.609 1.00 0.00 O ATOM 0 H TYR A 102 -9.739 10.917 -9.682 1.00 0.00 H new ATOM 0 HA TYR A 102 -9.882 9.518 -12.164 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -10.122 12.015 -11.609 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.376 12.088 -11.477 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -11.192 11.362 -13.794 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -6.960 11.997 -13.432 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -11.010 11.549 -16.260 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.778 12.183 -15.900 1.00 0.00 H new ATOM 0 HH TYR A 102 -7.847 12.137 -17.858 1.00 0.00 H new ATOM 1034 N ASP A 103 -6.918 9.673 -10.829 1.00 0.00 N ATOM 1035 CA ASP A 103 -5.564 9.100 -10.948 1.00 0.00 C ATOM 1036 C ASP A 103 -5.619 7.630 -10.583 1.00 0.00 C ATOM 1037 O ASP A 103 -5.161 6.792 -11.330 1.00 0.00 O ATOM 1038 CB ASP A 103 -4.688 9.871 -9.963 1.00 0.00 C ATOM 1039 CG ASP A 103 -3.234 9.836 -10.433 1.00 0.00 C ATOM 1040 OD1 ASP A 103 -2.920 10.544 -11.376 1.00 0.00 O ATOM 1041 OD2 ASP A 103 -2.459 9.103 -9.843 1.00 0.00 O ATOM 0 H ASP A 103 -7.097 10.200 -9.974 1.00 0.00 H new ATOM 0 HA ASP A 103 -5.166 9.180 -11.959 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.031 10.903 -9.886 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -4.770 9.433 -8.968 1.00 0.00 H new ATOM 1046 N LEU A 104 -6.194 7.274 -9.461 1.00 0.00 N ATOM 1047 CA LEU A 104 -6.233 5.829 -9.159 1.00 0.00 C ATOM 1048 C LEU A 104 -6.891 5.105 -10.334 1.00 0.00 C ATOM 1049 O LEU A 104 -6.426 4.084 -10.772 1.00 0.00 O ATOM 1050 CB LEU A 104 -7.018 5.680 -7.845 1.00 0.00 C ATOM 1051 CG LEU A 104 -8.528 5.578 -8.101 1.00 0.00 C ATOM 1052 CD1 LEU A 104 -8.874 4.195 -8.656 1.00 0.00 C ATOM 1053 CD2 LEU A 104 -9.274 5.791 -6.783 1.00 0.00 C ATOM 0 H LEU A 104 -6.618 7.897 -8.774 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.245 5.388 -9.031 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.677 4.791 -7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.814 6.534 -7.199 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.822 6.338 -8.825 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.948 4.133 -8.834 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.341 4.035 -9.593 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.581 3.430 -7.937 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -10.348 5.720 -6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.971 5.028 -6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.035 6.777 -6.385 1.00 0.00 H new ATOM 1065 N LEU A 105 -7.953 5.641 -10.870 1.00 0.00 N ATOM 1066 CA LEU A 105 -8.622 4.974 -12.027 1.00 0.00 C ATOM 1067 C LEU A 105 -7.662 4.819 -13.214 1.00 0.00 C ATOM 1068 O LEU A 105 -7.797 3.911 -14.011 1.00 0.00 O ATOM 1069 CB LEU A 105 -9.772 5.905 -12.412 1.00 0.00 C ATOM 1070 CG LEU A 105 -10.738 6.065 -11.239 1.00 0.00 C ATOM 1071 CD1 LEU A 105 -11.680 7.240 -11.520 1.00 0.00 C ATOM 1072 CD2 LEU A 105 -11.558 4.786 -11.077 1.00 0.00 C ATOM 0 H LEU A 105 -8.387 6.510 -10.559 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.959 3.972 -11.764 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.379 6.879 -12.704 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -10.301 5.503 -13.276 1.00 0.00 H new ATOM 0 HG LEU A 105 -10.176 6.254 -10.324 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -12.372 7.359 -10.686 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -11.097 8.153 -11.641 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -12.242 7.045 -12.433 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.247 4.899 -10.240 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.123 4.598 -11.990 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.889 3.947 -10.885 1.00 0.00 H new ATOM 1084 N ILE A 106 -6.712 5.701 -13.357 1.00 0.00 N ATOM 1085 CA ILE A 106 -5.778 5.603 -14.509 1.00 0.00 C ATOM 1086 C ILE A 106 -4.532 4.790 -14.135 1.00 0.00 C ATOM 1087 O ILE A 106 -4.052 3.992 -14.914 1.00 0.00 O ATOM 1088 CB ILE A 106 -5.435 7.056 -14.835 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -6.383 7.570 -15.920 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -3.994 7.174 -15.331 1.00 0.00 C ATOM 1091 CD1 ILE A 106 -6.588 9.075 -15.742 1.00 0.00 C ATOM 0 H ILE A 106 -6.544 6.484 -12.726 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.212 5.086 -15.365 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.544 7.650 -13.928 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.971 7.362 -16.907 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.340 7.051 -15.858 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.771 8.217 -15.557 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.313 6.817 -14.559 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.869 6.573 -16.231 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.263 9.444 -16.514 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.019 9.270 -14.760 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -5.628 9.585 -15.825 1.00 0.00 H new ATOM 1103 N ASN A 107 -3.998 4.984 -12.960 1.00 0.00 N ATOM 1104 CA ASN A 107 -2.785 4.212 -12.581 1.00 0.00 C ATOM 1105 C ASN A 107 -3.164 2.909 -11.874 1.00 0.00 C ATOM 1106 O ASN A 107 -2.360 2.009 -11.774 1.00 0.00 O ATOM 1107 CB ASN A 107 -1.934 5.096 -11.645 1.00 0.00 C ATOM 1108 CG ASN A 107 -2.721 6.265 -11.067 1.00 0.00 C ATOM 1109 OD1 ASN A 107 -2.926 7.264 -11.728 1.00 0.00 O ATOM 1110 ND2 ASN A 107 -3.169 6.181 -9.848 1.00 0.00 N ATOM 0 H ASN A 107 -4.345 5.635 -12.256 1.00 0.00 H new ATOM 0 HA ASN A 107 -2.222 3.948 -13.476 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -1.545 4.486 -10.830 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -1.074 5.478 -12.195 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -3.695 6.956 -9.443 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.994 5.340 -9.297 1.00 0.00 H new ATOM 1117 N VAL A 108 -4.367 2.770 -11.384 1.00 0.00 N ATOM 1118 CA VAL A 108 -4.702 1.487 -10.700 1.00 0.00 C ATOM 1119 C VAL A 108 -4.772 0.352 -11.719 1.00 0.00 C ATOM 1120 O VAL A 108 -4.977 -0.790 -11.359 1.00 0.00 O ATOM 1121 CB VAL A 108 -6.069 1.665 -10.038 1.00 0.00 C ATOM 1122 CG1 VAL A 108 -7.155 1.721 -11.118 1.00 0.00 C ATOM 1123 CG2 VAL A 108 -6.349 0.471 -9.121 1.00 0.00 C ATOM 0 H VAL A 108 -5.112 3.465 -11.424 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.940 1.239 -9.962 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.072 2.589 -9.459 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.130 1.848 -10.647 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.962 2.561 -11.785 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.147 0.794 -11.691 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.323 0.596 -8.648 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.346 -0.447 -9.708 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.578 0.413 -8.353 1.00 0.00 H new ATOM 1133 N SER A 109 -4.613 0.657 -12.985 1.00 0.00 N ATOM 1134 CA SER A 109 -4.666 -0.408 -14.036 1.00 0.00 C ATOM 1135 C SER A 109 -4.067 -1.719 -13.530 1.00 0.00 C ATOM 1136 O SER A 109 -4.448 -2.792 -13.958 1.00 0.00 O ATOM 1137 CB SER A 109 -3.828 0.141 -15.189 1.00 0.00 C ATOM 1138 OG SER A 109 -3.184 1.343 -14.783 1.00 0.00 O ATOM 0 H SER A 109 -4.448 1.600 -13.336 1.00 0.00 H new ATOM 0 HA SER A 109 -5.692 -0.631 -14.329 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.085 -0.596 -15.495 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.463 0.331 -16.054 1.00 0.00 H new ATOM 0 HG SER A 109 -3.732 2.112 -15.044 1.00 0.00 H new ATOM 1144 N SER A 110 -3.152 -1.646 -12.613 1.00 0.00 N ATOM 1145 CA SER A 110 -2.543 -2.886 -12.060 1.00 0.00 C ATOM 1146 C SER A 110 -3.561 -3.701 -11.269 1.00 0.00 C ATOM 1147 O SER A 110 -3.202 -4.644 -10.593 1.00 0.00 O ATOM 1148 CB SER A 110 -1.482 -2.384 -11.097 1.00 0.00 C ATOM 1149 OG SER A 110 -1.892 -2.651 -9.758 1.00 0.00 O ATOM 0 H SER A 110 -2.795 -0.776 -12.218 1.00 0.00 H new ATOM 0 HA SER A 110 -2.159 -3.526 -12.854 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.529 -2.873 -11.301 1.00 0.00 H new ATOM 0 HB3 SER A 110 -1.327 -1.314 -11.235 1.00 0.00 H new ATOM 0 HG SER A 110 -1.748 -3.599 -9.555 1.00 0.00 H new ATOM 1155 N THR A 111 -4.810 -3.351 -11.298 1.00 0.00 N ATOM 1156 CA THR A 111 -5.769 -4.135 -10.486 1.00 0.00 C ATOM 1157 C THR A 111 -6.266 -5.353 -11.266 1.00 0.00 C ATOM 1158 O THR A 111 -7.425 -5.716 -11.201 1.00 0.00 O ATOM 1159 CB THR A 111 -6.926 -3.193 -10.181 1.00 0.00 C ATOM 1160 OG1 THR A 111 -8.011 -3.949 -9.664 1.00 0.00 O ATOM 1161 CG2 THR A 111 -7.362 -2.496 -11.459 1.00 0.00 C ATOM 0 H THR A 111 -5.202 -2.576 -11.834 1.00 0.00 H new ATOM 0 HA THR A 111 -5.304 -4.509 -9.574 1.00 0.00 H new ATOM 0 HB THR A 111 -6.612 -2.447 -9.451 1.00 0.00 H new ATOM 0 HG1 THR A 111 -8.384 -4.513 -10.373 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.190 -1.822 -11.241 1.00 0.00 H new ATOM 0 HG22 THR A 111 -6.527 -1.926 -11.865 1.00 0.00 H new ATOM 0 HG23 THR A 111 -7.682 -3.240 -12.188 1.00 0.00 H new ATOM 1169 N VAL A 112 -5.402 -5.977 -12.007 1.00 0.00 N ATOM 1170 CA VAL A 112 -5.813 -7.168 -12.806 1.00 0.00 C ATOM 1171 C VAL A 112 -6.447 -8.235 -11.908 1.00 0.00 C ATOM 1172 O VAL A 112 -7.184 -9.084 -12.369 1.00 0.00 O ATOM 1173 CB VAL A 112 -4.518 -7.687 -13.428 1.00 0.00 C ATOM 1174 CG1 VAL A 112 -3.857 -6.563 -14.229 1.00 0.00 C ATOM 1175 CG2 VAL A 112 -3.567 -8.145 -12.319 1.00 0.00 C ATOM 0 H VAL A 112 -4.420 -5.715 -12.097 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.560 -6.917 -13.559 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.740 -8.527 -14.087 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.932 -6.929 -14.675 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -4.533 -6.232 -15.017 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.634 -5.727 -13.567 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -2.643 -8.515 -12.762 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.343 -7.305 -11.662 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.037 -8.941 -11.742 1.00 0.00 H new ATOM 1185 N GLY A 113 -6.175 -8.205 -10.632 1.00 0.00 N ATOM 1186 CA GLY A 113 -6.776 -9.226 -9.732 1.00 0.00 C ATOM 1187 C GLY A 113 -7.889 -8.584 -8.907 1.00 0.00 C ATOM 1188 O GLY A 113 -9.059 -8.845 -9.109 1.00 0.00 O ATOM 0 H GLY A 113 -5.568 -7.523 -10.178 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.174 -10.054 -10.318 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -6.013 -9.640 -9.073 1.00 0.00 H new ATOM 1192 N ARG A 114 -7.532 -7.749 -7.974 1.00 0.00 N ATOM 1193 CA ARG A 114 -8.537 -7.091 -7.130 1.00 0.00 C ATOM 1194 C ARG A 114 -8.101 -5.660 -6.812 1.00 0.00 C ATOM 1195 O ARG A 114 -6.935 -5.335 -6.883 1.00 0.00 O ATOM 1196 CB ARG A 114 -8.568 -7.938 -5.875 1.00 0.00 C ATOM 1197 CG ARG A 114 -9.979 -7.943 -5.289 1.00 0.00 C ATOM 1198 CD ARG A 114 -10.719 -9.193 -5.768 1.00 0.00 C ATOM 1199 NE ARG A 114 -11.533 -8.737 -6.930 1.00 0.00 N ATOM 1200 CZ ARG A 114 -12.820 -8.954 -6.952 1.00 0.00 C ATOM 1201 NH1 ARG A 114 -13.614 -8.254 -6.188 1.00 0.00 N ATOM 1202 NH2 ARG A 114 -13.313 -9.869 -7.740 1.00 0.00 N ATOM 0 H ARG A 114 -6.566 -7.497 -7.765 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.515 -7.017 -7.606 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -8.256 -8.957 -6.105 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -7.862 -7.546 -5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -9.933 -7.928 -4.200 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -10.517 -7.047 -5.598 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -10.021 -9.978 -6.059 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -11.351 -9.604 -4.980 1.00 0.00 H new ATOM 0 HE ARG A 114 -11.084 -8.255 -7.709 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -13.229 -7.537 -5.573 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -14.620 -8.424 -6.206 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -12.693 -10.415 -8.339 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -14.319 -10.039 -7.758 1.00 0.00 H new ATOM 1216 N ALA A 115 -9.022 -4.802 -6.462 1.00 0.00 N ATOM 1217 CA ALA A 115 -8.633 -3.395 -6.146 1.00 0.00 C ATOM 1218 C ALA A 115 -9.711 -2.696 -5.326 1.00 0.00 C ATOM 1219 O ALA A 115 -10.533 -1.970 -5.850 1.00 0.00 O ATOM 1220 CB ALA A 115 -8.479 -2.708 -7.499 1.00 0.00 C ATOM 0 H ALA A 115 -10.017 -5.010 -6.381 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.718 -3.360 -5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.193 -1.667 -7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.708 -3.215 -8.079 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.425 -2.750 -8.038 1.00 0.00 H new ATOM 1226 N TYR A 116 -9.699 -2.882 -4.040 1.00 0.00 N ATOM 1227 CA TYR A 116 -10.706 -2.197 -3.191 1.00 0.00 C ATOM 1228 C TYR A 116 -10.254 -0.755 -2.956 1.00 0.00 C ATOM 1229 O TYR A 116 -9.208 -0.510 -2.385 1.00 0.00 O ATOM 1230 CB TYR A 116 -10.733 -2.982 -1.879 1.00 0.00 C ATOM 1231 CG TYR A 116 -11.979 -3.832 -1.831 1.00 0.00 C ATOM 1232 CD1 TYR A 116 -12.055 -5.008 -2.588 1.00 0.00 C ATOM 1233 CD2 TYR A 116 -13.061 -3.445 -1.030 1.00 0.00 C ATOM 1234 CE1 TYR A 116 -13.211 -5.794 -2.544 1.00 0.00 C ATOM 1235 CE2 TYR A 116 -14.217 -4.231 -0.986 1.00 0.00 C ATOM 1236 CZ TYR A 116 -14.293 -5.406 -1.744 1.00 0.00 C ATOM 1237 OH TYR A 116 -15.434 -6.182 -1.700 1.00 0.00 O ATOM 0 H TYR A 116 -9.038 -3.477 -3.541 1.00 0.00 H new ATOM 0 HA TYR A 116 -11.696 -2.164 -3.646 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -9.847 -3.611 -1.800 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -10.714 -2.297 -1.032 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -11.221 -5.308 -3.205 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -13.003 -2.539 -0.446 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -13.269 -6.701 -3.127 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -15.051 -3.932 -0.368 1.00 0.00 H new ATOM 0 HH TYR A 116 -16.087 -5.770 -1.096 1.00 0.00 H new ATOM 1247 N THR A 117 -11.017 0.202 -3.406 1.00 0.00 N ATOM 1248 CA THR A 117 -10.610 1.621 -3.212 1.00 0.00 C ATOM 1249 C THR A 117 -11.055 2.120 -1.837 1.00 0.00 C ATOM 1250 O THR A 117 -12.184 1.933 -1.428 1.00 0.00 O ATOM 1251 CB THR A 117 -11.303 2.397 -4.327 1.00 0.00 C ATOM 1252 OG1 THR A 117 -11.072 3.787 -4.148 1.00 0.00 O ATOM 1253 CG2 THR A 117 -12.795 2.113 -4.280 1.00 0.00 C ATOM 0 H THR A 117 -11.900 0.064 -3.897 1.00 0.00 H new ATOM 0 HA THR A 117 -9.528 1.746 -3.252 1.00 0.00 H new ATOM 0 HB THR A 117 -10.906 2.089 -5.294 1.00 0.00 H new ATOM 0 HG1 THR A 117 -11.515 4.287 -4.865 1.00 0.00 H new ATOM 0 HG21 THR A 117 -13.296 2.665 -5.075 1.00 0.00 H new ATOM 0 HG22 THR A 117 -12.967 1.045 -4.416 1.00 0.00 H new ATOM 0 HG23 THR A 117 -13.194 2.424 -3.315 1.00 0.00 H new ATOM 1261 N LEU A 118 -10.170 2.748 -1.115 1.00 0.00 N ATOM 1262 CA LEU A 118 -10.532 3.257 0.238 1.00 0.00 C ATOM 1263 C LEU A 118 -10.786 4.754 0.190 1.00 0.00 C ATOM 1264 O LEU A 118 -10.424 5.472 1.099 1.00 0.00 O ATOM 1265 CB LEU A 118 -9.317 2.945 1.114 1.00 0.00 C ATOM 1266 CG LEU A 118 -9.706 1.950 2.210 1.00 0.00 C ATOM 1267 CD1 LEU A 118 -8.498 1.076 2.554 1.00 0.00 C ATOM 1268 CD2 LEU A 118 -10.151 2.715 3.460 1.00 0.00 C ATOM 0 H LEU A 118 -9.209 2.931 -1.404 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.442 2.797 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.514 2.531 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.936 3.863 1.562 1.00 0.00 H new ATOM 0 HG LEU A 118 -10.524 1.322 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.773 0.366 3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -8.178 0.532 1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.682 1.706 2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.428 2.007 4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -9.333 3.342 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -11.009 3.341 3.217 1.00 0.00 H new ATOM 1280 N GLY A 119 -11.403 5.238 -0.857 1.00 0.00 N ATOM 1281 CA GLY A 119 -11.676 6.701 -0.951 1.00 0.00 C ATOM 1282 C GLY A 119 -10.356 7.449 -1.061 1.00 0.00 C ATOM 1283 O GLY A 119 -10.091 8.150 -2.017 1.00 0.00 O ATOM 0 H GLY A 119 -11.729 4.684 -1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -12.301 6.912 -1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -12.227 7.038 -0.073 1.00 0.00 H new ATOM 1287 N THR A 120 -9.531 7.291 -0.080 1.00 0.00 N ATOM 1288 CA THR A 120 -8.208 7.971 -0.081 1.00 0.00 C ATOM 1289 C THR A 120 -7.097 6.955 -0.338 1.00 0.00 C ATOM 1290 O THR A 120 -5.968 7.312 -0.614 1.00 0.00 O ATOM 1291 CB THR A 120 -8.063 8.567 1.319 1.00 0.00 C ATOM 1292 OG1 THR A 120 -9.068 9.549 1.526 1.00 0.00 O ATOM 1293 CG2 THR A 120 -6.682 9.208 1.462 1.00 0.00 C ATOM 0 H THR A 120 -9.714 6.711 0.739 1.00 0.00 H new ATOM 0 HA THR A 120 -8.138 8.732 -0.858 1.00 0.00 H new ATOM 0 HB THR A 120 -8.173 7.776 2.061 1.00 0.00 H new ATOM 0 HG1 THR A 120 -8.974 9.929 2.425 1.00 0.00 H new ATOM 0 HG21 THR A 120 -6.580 9.633 2.461 1.00 0.00 H new ATOM 0 HG22 THR A 120 -5.912 8.452 1.309 1.00 0.00 H new ATOM 0 HG23 THR A 120 -6.568 9.997 0.719 1.00 0.00 H new ATOM 1301 N LYS A 121 -7.398 5.687 -0.237 1.00 0.00 N ATOM 1302 CA LYS A 121 -6.338 4.664 -0.467 1.00 0.00 C ATOM 1303 C LYS A 121 -6.763 3.643 -1.530 1.00 0.00 C ATOM 1304 O LYS A 121 -7.917 3.548 -1.900 1.00 0.00 O ATOM 1305 CB LYS A 121 -6.145 3.984 0.884 1.00 0.00 C ATOM 1306 CG LYS A 121 -5.919 5.044 1.965 1.00 0.00 C ATOM 1307 CD LYS A 121 -4.951 4.500 3.019 1.00 0.00 C ATOM 1308 CE LYS A 121 -5.713 4.225 4.318 1.00 0.00 C ATOM 1309 NZ LYS A 121 -5.980 2.759 4.305 1.00 0.00 N ATOM 0 H LYS A 121 -8.321 5.319 -0.008 1.00 0.00 H new ATOM 0 HA LYS A 121 -5.419 5.118 -0.838 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -7.021 3.382 1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -5.293 3.305 0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -5.515 5.953 1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -6.867 5.312 2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -4.482 3.584 2.659 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -4.151 5.218 3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -5.124 4.511 5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -6.641 4.795 4.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -6.951 2.580 4.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -5.869 2.394 3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -5.307 2.278 4.936 1.00 0.00 H new ATOM 1323 N PHE A 122 -5.820 2.883 -2.014 1.00 0.00 N ATOM 1324 CA PHE A 122 -6.101 1.851 -3.049 1.00 0.00 C ATOM 1325 C PHE A 122 -5.585 0.514 -2.505 1.00 0.00 C ATOM 1326 O PHE A 122 -4.615 0.482 -1.772 1.00 0.00 O ATOM 1327 CB PHE A 122 -5.332 2.403 -4.277 1.00 0.00 C ATOM 1328 CG PHE A 122 -4.542 1.361 -5.065 1.00 0.00 C ATOM 1329 CD1 PHE A 122 -3.618 0.504 -4.443 1.00 0.00 C ATOM 1330 CD2 PHE A 122 -4.723 1.283 -6.452 1.00 0.00 C ATOM 1331 CE1 PHE A 122 -2.897 -0.426 -5.206 1.00 0.00 C ATOM 1332 CE2 PHE A 122 -4.002 0.354 -7.212 1.00 0.00 C ATOM 1333 CZ PHE A 122 -3.094 -0.503 -6.587 1.00 0.00 C ATOM 0 H PHE A 122 -4.843 2.937 -1.727 1.00 0.00 H new ATOM 0 HA PHE A 122 -7.143 1.670 -3.313 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -6.045 2.881 -4.949 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -4.645 3.178 -3.938 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -3.463 0.562 -3.376 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -5.424 1.945 -6.939 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -2.188 -1.084 -4.725 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -4.148 0.300 -8.281 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.544 -1.226 -7.171 1.00 0.00 H new ATOM 1343 N THR A 123 -6.231 -0.586 -2.791 1.00 0.00 N ATOM 1344 CA THR A 123 -5.748 -1.857 -2.229 1.00 0.00 C ATOM 1345 C THR A 123 -5.956 -2.991 -3.231 1.00 0.00 C ATOM 1346 O THR A 123 -7.066 -3.406 -3.501 1.00 0.00 O ATOM 1347 CB THR A 123 -6.570 -2.054 -0.939 1.00 0.00 C ATOM 1348 OG1 THR A 123 -5.730 -1.841 0.187 1.00 0.00 O ATOM 1349 CG2 THR A 123 -7.151 -3.472 -0.869 1.00 0.00 C ATOM 0 H THR A 123 -7.060 -0.649 -3.382 1.00 0.00 H new ATOM 0 HA THR A 123 -4.680 -1.850 -2.013 1.00 0.00 H new ATOM 0 HB THR A 123 -7.393 -1.340 -0.941 1.00 0.00 H new ATOM 0 HG1 THR A 123 -6.248 -1.963 1.010 1.00 0.00 H new ATOM 0 HG21 THR A 123 -7.726 -3.585 0.050 1.00 0.00 H new ATOM 0 HG22 THR A 123 -7.801 -3.641 -1.727 1.00 0.00 H new ATOM 0 HG23 THR A 123 -6.339 -4.199 -0.880 1.00 0.00 H new ATOM 1357 N ILE A 124 -4.893 -3.497 -3.777 1.00 0.00 N ATOM 1358 CA ILE A 124 -5.015 -4.607 -4.755 1.00 0.00 C ATOM 1359 C ILE A 124 -4.399 -5.863 -4.131 1.00 0.00 C ATOM 1360 O ILE A 124 -3.554 -5.771 -3.264 1.00 0.00 O ATOM 1361 CB ILE A 124 -4.225 -4.131 -5.978 1.00 0.00 C ATOM 1362 CG1 ILE A 124 -5.046 -3.085 -6.755 1.00 0.00 C ATOM 1363 CG2 ILE A 124 -3.930 -5.323 -6.892 1.00 0.00 C ATOM 1364 CD1 ILE A 124 -5.479 -1.941 -5.826 1.00 0.00 C ATOM 0 H ILE A 124 -3.939 -3.189 -3.588 1.00 0.00 H new ATOM 0 HA ILE A 124 -6.041 -4.852 -5.030 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.289 -3.682 -5.646 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -4.453 -2.688 -7.579 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -5.925 -3.557 -7.194 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -3.368 -4.984 -7.762 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -3.344 -6.063 -6.347 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -4.868 -5.772 -7.218 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.058 -1.212 -6.392 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -6.091 -2.341 -5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.596 -1.458 -5.408 1.00 0.00 H new ATOM 1376 N THR A 125 -4.819 -7.032 -4.525 1.00 0.00 N ATOM 1377 CA THR A 125 -4.238 -8.247 -3.887 1.00 0.00 C ATOM 1378 C THR A 125 -4.430 -9.491 -4.758 1.00 0.00 C ATOM 1379 O THR A 125 -4.947 -9.427 -5.856 1.00 0.00 O ATOM 1380 CB THR A 125 -5.014 -8.390 -2.577 1.00 0.00 C ATOM 1381 OG1 THR A 125 -4.523 -9.511 -1.855 1.00 0.00 O ATOM 1382 CG2 THR A 125 -6.499 -8.587 -2.889 1.00 0.00 C ATOM 0 H THR A 125 -5.523 -7.199 -5.244 1.00 0.00 H new ATOM 0 HA THR A 125 -3.162 -8.151 -3.739 1.00 0.00 H new ATOM 0 HB THR A 125 -4.886 -7.491 -1.974 1.00 0.00 H new ATOM 0 HG1 THR A 125 -5.019 -9.602 -1.015 1.00 0.00 H new ATOM 0 HG21 THR A 125 -7.056 -8.689 -1.958 1.00 0.00 H new ATOM 0 HG22 THR A 125 -6.872 -7.725 -3.442 1.00 0.00 H new ATOM 0 HG23 THR A 125 -6.628 -9.487 -3.490 1.00 0.00 H new ATOM 1390 N SER A 126 -4.012 -10.627 -4.262 1.00 0.00 N ATOM 1391 CA SER A 126 -4.156 -11.893 -5.034 1.00 0.00 C ATOM 1392 C SER A 126 -5.530 -12.517 -4.779 1.00 0.00 C ATOM 1393 O SER A 126 -6.418 -12.451 -5.605 1.00 0.00 O ATOM 1394 CB SER A 126 -3.051 -12.801 -4.495 1.00 0.00 C ATOM 1395 OG SER A 126 -3.249 -13.009 -3.102 1.00 0.00 O ATOM 0 H SER A 126 -3.573 -10.730 -3.347 1.00 0.00 H new ATOM 0 HA SER A 126 -4.075 -11.735 -6.110 1.00 0.00 H new ATOM 0 HB2 SER A 126 -3.060 -13.755 -5.021 1.00 0.00 H new ATOM 0 HB3 SER A 126 -2.075 -12.349 -4.671 1.00 0.00 H new ATOM 0 HG SER A 126 -3.313 -13.970 -2.921 1.00 0.00 H new ATOM 1401 N GLU A 127 -5.706 -13.127 -3.640 1.00 0.00 N ATOM 1402 CA GLU A 127 -7.019 -13.766 -3.327 1.00 0.00 C ATOM 1403 C GLU A 127 -7.914 -12.806 -2.534 1.00 0.00 C ATOM 1404 O GLU A 127 -7.653 -11.622 -2.450 1.00 0.00 O ATOM 1405 CB GLU A 127 -6.670 -14.988 -2.479 1.00 0.00 C ATOM 1406 CG GLU A 127 -5.665 -15.864 -3.230 1.00 0.00 C ATOM 1407 CD GLU A 127 -4.703 -16.511 -2.231 1.00 0.00 C ATOM 1408 OE1 GLU A 127 -5.024 -17.578 -1.734 1.00 0.00 O ATOM 1409 OE2 GLU A 127 -3.661 -15.927 -1.980 1.00 0.00 O ATOM 0 H GLU A 127 -4.998 -13.212 -2.911 1.00 0.00 H new ATOM 0 HA GLU A 127 -7.568 -14.032 -4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -6.250 -14.672 -1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -7.572 -15.559 -2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -6.190 -16.634 -3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -5.109 -15.263 -3.949 1.00 0.00 H new ATOM 1416 N LEU A 128 -8.976 -13.314 -1.967 1.00 0.00 N ATOM 1417 CA LEU A 128 -9.907 -12.459 -1.189 1.00 0.00 C ATOM 1418 C LEU A 128 -9.144 -11.521 -0.248 1.00 0.00 C ATOM 1419 O LEU A 128 -7.933 -11.562 -0.154 1.00 0.00 O ATOM 1420 CB LEU A 128 -10.761 -13.439 -0.383 1.00 0.00 C ATOM 1421 CG LEU A 128 -11.956 -13.891 -1.223 1.00 0.00 C ATOM 1422 CD1 LEU A 128 -11.887 -15.403 -1.440 1.00 0.00 C ATOM 1423 CD2 LEU A 128 -13.253 -13.544 -0.491 1.00 0.00 C ATOM 0 H LEU A 128 -9.238 -14.299 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 128 -10.505 -11.821 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -10.163 -14.302 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -11.108 -12.965 0.535 1.00 0.00 H new ATOM 0 HG LEU A 128 -11.933 -13.384 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -12.739 -15.724 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -10.963 -15.654 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -11.910 -15.910 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -14.106 -13.866 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -13.274 -14.052 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -13.305 -12.467 -0.335 1.00 0.00 H new TER 1435 LEU A 128