USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 553 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 NoAdj : A 10 ASNHD21 : A 10 ASN OD1 : A 72 CACA :(metal ligand) USER MOD NoAdj : A 10 ASNHD22 : A 10 ASN OD1 : A 72 CACA :(metal ligand) USER MOD Set 1.1: A 16 ASN : amide:sc= -3.02! C(o=-2.1!,f=-12!) USER MOD Set 1.2: A 18 THR OG1 : rot 90:sc= 0.94 USER MOD Single : A 1 MET CE :methyl -147:sc= -0.281 (180deg=-1.29) USER MOD Single : A 1 MET N :NH3+ -140:sc= -0.0608 (180deg=-0.459) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 165:sc= -3.23! USER MOD Single : A 14 LYS NZ :NH3+ -133:sc= -0.143 (180deg=-2.13!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -6.42! C(o=-6.4!,f=-7.5!) USER MOD Single : A 36 THR OG1 : rot 6:sc= 0.761! USER MOD Single : A 38 ASN : amide:sc= -1.05! C(o=-1.1!,f=-8.6!) USER MOD Single : A 42 ASN : amide:sc= -4.02! C(o=-4!,f=-5.3!) USER MOD Single : A 48 ASN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 49 SER OG : rot 66:sc= 0.721 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 15:sc= -2.38 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.257 K(o=-0.26,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.474 14.617 1.107 1.00 0.00 N ATOM 2 CA MET A 1 -0.042 15.965 1.435 1.00 0.00 C ATOM 3 C MET A 1 -0.655 16.430 2.758 1.00 0.00 C ATOM 4 O MET A 1 -1.446 17.372 2.782 1.00 0.00 O ATOM 5 CB MET A 1 -0.458 16.921 0.316 1.00 0.00 C ATOM 6 CG MET A 1 0.369 16.677 -0.948 1.00 0.00 C ATOM 7 SD MET A 1 -0.400 17.480 -2.345 1.00 0.00 S ATOM 8 CE MET A 1 -1.888 16.503 -2.484 1.00 0.00 C ATOM 0 H1 MET A 1 0.325 14.083 0.710 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.814 14.142 1.968 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.243 14.659 0.408 1.00 0.00 H new ATOM 0 HA MET A 1 1.043 15.964 1.539 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.517 16.788 0.094 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.329 17.952 0.646 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.381 17.059 -0.810 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.455 15.607 -1.135 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.178 16.429 -3.532 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.706 15.504 -2.087 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.689 16.978 -1.918 1.00 0.00 H new ATOM 18 N SER A 2 -0.267 15.748 3.826 1.00 0.00 N ATOM 19 CA SER A 2 -0.769 16.080 5.148 1.00 0.00 C ATOM 20 C SER A 2 -0.194 15.111 6.183 1.00 0.00 C ATOM 21 O SER A 2 0.731 15.458 6.917 1.00 0.00 O ATOM 22 CB SER A 2 -2.297 16.047 5.182 1.00 0.00 C ATOM 23 OG SER A 2 -2.850 17.301 5.575 1.00 0.00 O ATOM 0 H SER A 2 0.389 14.967 3.802 1.00 0.00 H new ATOM 0 HA SER A 2 -0.450 17.094 5.391 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.676 15.777 4.196 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.628 15.272 5.874 1.00 0.00 H new ATOM 0 HG SER A 2 -3.828 17.239 5.583 1.00 0.00 H new ATOM 29 N THR A 3 -0.765 13.916 6.209 1.00 0.00 N ATOM 30 CA THR A 3 -0.322 12.895 7.143 1.00 0.00 C ATOM 31 C THR A 3 -1.086 11.590 6.909 1.00 0.00 C ATOM 32 O THR A 3 -1.883 11.492 5.977 1.00 0.00 O ATOM 33 CB THR A 3 -0.483 13.448 8.560 1.00 0.00 C ATOM 34 OG1 THR A 3 0.545 12.799 9.305 1.00 0.00 O ATOM 35 CG2 THR A 3 -1.778 12.979 9.227 1.00 0.00 C ATOM 0 H THR A 3 -1.531 13.632 5.598 1.00 0.00 H new ATOM 0 HA THR A 3 0.729 12.651 6.992 1.00 0.00 H new ATOM 0 HB THR A 3 -0.464 14.537 8.529 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.514 13.101 10.237 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.843 13.400 10.230 1.00 0.00 H new ATOM 0 HG22 THR A 3 -2.632 13.312 8.637 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.782 11.891 9.289 1.00 0.00 H new ATOM 43 N LYS A 4 -0.815 10.620 7.770 1.00 0.00 N ATOM 44 CA LYS A 4 -1.467 9.326 7.668 1.00 0.00 C ATOM 45 C LYS A 4 -1.147 8.703 6.308 1.00 0.00 C ATOM 46 O LYS A 4 -1.813 8.996 5.316 1.00 0.00 O ATOM 47 CB LYS A 4 -2.966 9.457 7.947 1.00 0.00 C ATOM 48 CG LYS A 4 -3.229 9.666 9.440 1.00 0.00 C ATOM 49 CD LYS A 4 -4.414 10.607 9.661 1.00 0.00 C ATOM 50 CE LYS A 4 -4.470 11.089 11.113 1.00 0.00 C ATOM 51 NZ LYS A 4 -5.785 11.698 11.408 1.00 0.00 N ATOM 0 H LYS A 4 -0.153 10.705 8.541 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.083 8.646 8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.373 10.295 7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.483 8.561 7.605 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.429 8.706 9.916 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.339 10.078 9.916 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.332 11.464 8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.342 10.094 9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.291 10.251 11.787 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.678 11.816 11.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.805 12.019 12.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.941 12.510 10.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.535 10.994 11.258 1.00 0.00 H new ATOM 65 N LEU A 5 -0.128 7.857 6.304 1.00 0.00 N ATOM 66 CA LEU A 5 0.288 7.191 5.081 1.00 0.00 C ATOM 67 C LEU A 5 1.363 6.154 5.412 1.00 0.00 C ATOM 68 O LEU A 5 2.340 6.463 6.092 1.00 0.00 O ATOM 69 CB LEU A 5 0.725 8.218 4.034 1.00 0.00 C ATOM 70 CG LEU A 5 2.211 8.580 4.029 1.00 0.00 C ATOM 71 CD1 LEU A 5 2.597 9.298 2.735 1.00 0.00 C ATOM 72 CD2 LEU A 5 2.582 9.396 5.269 1.00 0.00 C ATOM 0 H LEU A 5 0.422 7.617 7.129 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.549 6.653 4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.461 7.837 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.150 9.131 4.187 1.00 0.00 H new ATOM 0 HG LEU A 5 2.787 7.655 4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.659 9.544 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.393 8.648 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.014 10.214 2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.644 9.640 5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.999 10.317 5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.368 8.814 6.165 1.00 0.00 H new ATOM 84 N TYR A 6 1.147 4.946 4.913 1.00 0.00 N ATOM 85 CA TYR A 6 2.085 3.862 5.146 1.00 0.00 C ATOM 86 C TYR A 6 2.391 3.112 3.848 1.00 0.00 C ATOM 87 O TYR A 6 1.652 2.209 3.459 1.00 0.00 O ATOM 88 CB TYR A 6 1.392 2.906 6.120 1.00 0.00 C ATOM 89 CG TYR A 6 2.038 1.522 6.200 1.00 0.00 C ATOM 90 CD1 TYR A 6 3.090 1.300 7.065 1.00 0.00 C ATOM 91 CD2 TYR A 6 1.569 0.495 5.407 1.00 0.00 C ATOM 92 CE1 TYR A 6 3.699 -0.004 7.141 1.00 0.00 C ATOM 93 CE2 TYR A 6 2.177 -0.809 5.482 1.00 0.00 C ATOM 94 CZ TYR A 6 3.212 -0.993 6.345 1.00 0.00 C ATOM 95 OH TYR A 6 3.786 -2.224 6.416 1.00 0.00 O ATOM 0 H TYR A 6 0.336 4.694 4.348 1.00 0.00 H new ATOM 0 HA TYR A 6 3.027 4.248 5.536 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.392 3.353 7.114 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.350 2.792 5.822 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.457 2.104 7.686 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.746 0.669 4.730 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.523 -0.191 7.814 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.819 -1.622 4.867 1.00 0.00 H new ATOM 0 HH TYR A 6 3.201 -2.883 5.986 1.00 0.00 H new ATOM 105 N GLY A 7 3.482 3.516 3.212 1.00 0.00 N ATOM 106 CA GLY A 7 3.895 2.895 1.965 1.00 0.00 C ATOM 107 C GLY A 7 2.899 3.201 0.844 1.00 0.00 C ATOM 108 O GLY A 7 2.575 2.326 0.042 1.00 0.00 O ATOM 0 H GLY A 7 4.092 4.266 3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.885 3.256 1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.975 1.816 2.101 1.00 0.00 H new ATOM 112 N ASP A 8 2.442 4.444 0.825 1.00 0.00 N ATOM 113 CA ASP A 8 1.489 4.876 -0.184 1.00 0.00 C ATOM 114 C ASP A 8 2.104 4.686 -1.572 1.00 0.00 C ATOM 115 O ASP A 8 3.325 4.700 -1.722 1.00 0.00 O ATOM 116 CB ASP A 8 1.144 6.356 -0.017 1.00 0.00 C ATOM 117 CG ASP A 8 -0.180 6.788 -0.652 1.00 0.00 C ATOM 118 OD1 ASP A 8 -0.346 6.512 -1.860 1.00 0.00 O ATOM 119 OD2 ASP A 8 -0.996 7.382 0.084 1.00 0.00 O ATOM 0 H ASP A 8 2.714 5.166 1.492 1.00 0.00 H new ATOM 0 HA ASP A 8 0.583 4.281 -0.071 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.112 6.588 1.048 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.948 6.952 -0.449 1.00 0.00 H new ATOM 124 N VAL A 9 1.230 4.516 -2.553 1.00 0.00 N ATOM 125 CA VAL A 9 1.671 4.325 -3.925 1.00 0.00 C ATOM 126 C VAL A 9 1.780 5.686 -4.615 1.00 0.00 C ATOM 127 O VAL A 9 2.858 6.076 -5.058 1.00 0.00 O ATOM 128 CB VAL A 9 0.728 3.361 -4.648 1.00 0.00 C ATOM 129 CG1 VAL A 9 0.902 3.460 -6.165 1.00 0.00 C ATOM 130 CG2 VAL A 9 0.937 1.924 -4.165 1.00 0.00 C ATOM 0 H VAL A 9 0.218 4.506 -2.425 1.00 0.00 H new ATOM 0 HA VAL A 9 2.661 3.869 -3.949 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.295 3.649 -4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.221 2.765 -6.656 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.681 4.476 -6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.929 3.209 -6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.255 1.259 -4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.965 1.620 -4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.740 1.868 -3.094 1.00 0.00 H new ATOM 140 N ASN A 10 0.648 6.370 -4.685 1.00 0.00 N ATOM 141 CA ASN A 10 0.602 7.679 -5.314 1.00 0.00 C ATOM 142 C ASN A 10 0.921 8.753 -4.272 1.00 0.00 C ATOM 143 O ASN A 10 1.186 9.902 -4.620 1.00 0.00 O ATOM 144 CB ASN A 10 -0.790 7.970 -5.881 1.00 0.00 C ATOM 145 CG ASN A 10 -1.882 7.556 -4.892 1.00 0.00 C ATOM 146 OD1 ASN A 10 -1.705 7.585 -3.685 1.00 0.00 O ATOM 147 ND2 ASN A 10 -3.016 7.172 -5.470 1.00 0.00 N ATOM 0 H ASN A 10 -0.245 6.042 -4.316 1.00 0.00 H new ATOM 0 HA ASN A 10 1.331 7.689 -6.124 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.881 9.033 -6.105 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -0.923 7.434 -6.821 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.806 6.877 -4.897 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.096 7.172 -6.487 1.00 0.00 H new ATOM 154 N ASP A 11 0.886 8.339 -3.014 1.00 0.00 N ATOM 155 CA ASP A 11 1.167 9.251 -1.918 1.00 0.00 C ATOM 156 C ASP A 11 0.014 10.247 -1.779 1.00 0.00 C ATOM 157 O ASP A 11 0.236 11.455 -1.720 1.00 0.00 O ATOM 158 CB ASP A 11 2.448 10.046 -2.179 1.00 0.00 C ATOM 159 CG ASP A 11 3.296 10.334 -0.938 1.00 0.00 C ATOM 160 OD1 ASP A 11 2.900 9.848 0.144 1.00 0.00 O ATOM 161 OD2 ASP A 11 4.319 11.033 -1.099 1.00 0.00 O ATOM 0 H ASP A 11 0.667 7.384 -2.729 1.00 0.00 H new ATOM 0 HA ASP A 11 1.287 8.660 -1.010 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.057 9.498 -2.898 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.180 10.994 -2.645 1.00 0.00 H new ATOM 166 N ASP A 12 -1.192 9.703 -1.730 1.00 0.00 N ATOM 167 CA ASP A 12 -2.381 10.528 -1.599 1.00 0.00 C ATOM 168 C ASP A 12 -3.098 10.178 -0.294 1.00 0.00 C ATOM 169 O ASP A 12 -3.685 11.048 0.348 1.00 0.00 O ATOM 170 CB ASP A 12 -3.354 10.280 -2.753 1.00 0.00 C ATOM 171 CG ASP A 12 -4.227 9.032 -2.608 1.00 0.00 C ATOM 172 OD1 ASP A 12 -4.924 8.945 -1.574 1.00 0.00 O ATOM 173 OD2 ASP A 12 -4.177 8.193 -3.533 1.00 0.00 O ATOM 0 H ASP A 12 -1.372 8.700 -1.779 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.069 11.572 -1.608 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.004 11.149 -2.853 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.783 10.200 -3.678 1.00 0.00 H new ATOM 178 N GLY A 13 -3.027 8.904 0.061 1.00 0.00 N ATOM 179 CA GLY A 13 -3.661 8.429 1.278 1.00 0.00 C ATOM 180 C GLY A 13 -2.909 7.228 1.856 1.00 0.00 C ATOM 181 O GLY A 13 -2.308 7.324 2.926 1.00 0.00 O ATOM 0 H GLY A 13 -2.539 8.185 -0.474 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.691 9.232 2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.694 8.150 1.069 1.00 0.00 H new ATOM 185 N LYS A 14 -2.967 6.125 1.124 1.00 0.00 N ATOM 186 CA LYS A 14 -2.299 4.908 1.551 1.00 0.00 C ATOM 187 C LYS A 14 -2.368 3.872 0.427 1.00 0.00 C ATOM 188 O LYS A 14 -3.224 3.962 -0.452 1.00 0.00 O ATOM 189 CB LYS A 14 -2.879 4.415 2.879 1.00 0.00 C ATOM 190 CG LYS A 14 -4.408 4.479 2.867 1.00 0.00 C ATOM 191 CD LYS A 14 -4.915 5.607 3.768 1.00 0.00 C ATOM 192 CE LYS A 14 -6.329 6.032 3.368 1.00 0.00 C ATOM 193 NZ LYS A 14 -6.368 7.480 3.062 1.00 0.00 N ATOM 0 H LYS A 14 -3.466 6.049 0.238 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.243 5.101 1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.556 3.390 3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.492 5.023 3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.761 4.636 1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.818 3.527 3.204 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.910 5.278 4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.242 6.462 3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.654 5.462 2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.025 5.806 4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.182 7.914 3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.491 7.929 3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.459 7.615 2.035 1.00 0.00 H new ATOM 207 N VAL A 15 -1.457 2.913 0.492 1.00 0.00 N ATOM 208 CA VAL A 15 -1.405 1.861 -0.509 1.00 0.00 C ATOM 209 C VAL A 15 -2.491 0.824 -0.211 1.00 0.00 C ATOM 210 O VAL A 15 -2.442 0.146 0.814 1.00 0.00 O ATOM 211 CB VAL A 15 0.001 1.257 -0.560 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.486 0.879 0.841 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.044 0.049 -1.498 1.00 0.00 C ATOM 0 H VAL A 15 -0.749 2.842 1.222 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.607 2.267 -1.500 1.00 0.00 H new ATOM 0 HB VAL A 15 0.677 2.014 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.487 0.452 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.511 1.769 1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.194 0.146 1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.054 -0.362 -1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.651 -0.712 -1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.240 0.359 -2.504 1.00 0.00 H new ATOM 223 N ASN A 16 -3.445 0.736 -1.126 1.00 0.00 N ATOM 224 CA ASN A 16 -4.541 -0.206 -0.974 1.00 0.00 C ATOM 225 C ASN A 16 -5.189 -0.451 -2.338 1.00 0.00 C ATOM 226 O ASN A 16 -4.701 0.034 -3.358 1.00 0.00 O ATOM 227 CB ASN A 16 -5.614 0.345 -0.033 1.00 0.00 C ATOM 228 CG ASN A 16 -6.209 1.644 -0.580 1.00 0.00 C ATOM 229 OD1 ASN A 16 -7.365 1.715 -0.965 1.00 0.00 O ATOM 230 ND2 ASN A 16 -5.356 2.665 -0.594 1.00 0.00 N ATOM 0 H ASN A 16 -3.482 1.301 -1.975 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.137 -1.130 -0.559 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.404 -0.395 0.096 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.182 0.525 0.951 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.656 3.576 -0.942 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.402 2.537 -0.257 1.00 0.00 H new ATOM 237 N SER A 17 -6.279 -1.205 -2.314 1.00 0.00 N ATOM 238 CA SER A 17 -6.999 -1.520 -3.535 1.00 0.00 C ATOM 239 C SER A 17 -7.237 -0.245 -4.347 1.00 0.00 C ATOM 240 O SER A 17 -7.430 -0.304 -5.560 1.00 0.00 O ATOM 241 CB SER A 17 -8.329 -2.211 -3.228 1.00 0.00 C ATOM 242 OG SER A 17 -9.223 -2.165 -4.336 1.00 0.00 O ATOM 0 H SER A 17 -6.681 -1.607 -1.467 1.00 0.00 H new ATOM 0 HA SER A 17 -6.391 -2.208 -4.122 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.143 -3.250 -2.955 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.795 -1.733 -2.366 1.00 0.00 H new ATOM 0 HG SER A 17 -10.060 -2.618 -4.100 1.00 0.00 H new ATOM 248 N THR A 18 -7.218 0.877 -3.643 1.00 0.00 N ATOM 249 CA THR A 18 -7.430 2.164 -4.282 1.00 0.00 C ATOM 250 C THR A 18 -6.227 2.532 -5.154 1.00 0.00 C ATOM 251 O THR A 18 -6.384 3.150 -6.206 1.00 0.00 O ATOM 252 CB THR A 18 -7.724 3.193 -3.190 1.00 0.00 C ATOM 253 OG1 THR A 18 -8.897 2.696 -2.551 1.00 0.00 O ATOM 254 CG2 THR A 18 -8.155 4.546 -3.758 1.00 0.00 C ATOM 0 H THR A 18 -7.059 0.921 -2.636 1.00 0.00 H new ATOM 0 HA THR A 18 -8.285 2.132 -4.958 1.00 0.00 H new ATOM 0 HB THR A 18 -6.837 3.326 -2.571 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.642 2.098 -1.818 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.351 5.238 -2.939 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.361 4.945 -4.389 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.061 4.420 -4.351 1.00 0.00 H new ATOM 262 N ASP A 19 -5.054 2.134 -4.685 1.00 0.00 N ATOM 263 CA ASP A 19 -3.825 2.414 -5.409 1.00 0.00 C ATOM 264 C ASP A 19 -3.498 1.232 -6.324 1.00 0.00 C ATOM 265 O ASP A 19 -2.337 1.011 -6.667 1.00 0.00 O ATOM 266 CB ASP A 19 -2.651 2.607 -4.447 1.00 0.00 C ATOM 267 CG ASP A 19 -2.558 3.994 -3.809 1.00 0.00 C ATOM 268 OD1 ASP A 19 -3.123 4.933 -4.410 1.00 0.00 O ATOM 269 OD2 ASP A 19 -1.924 4.084 -2.737 1.00 0.00 O ATOM 0 H ASP A 19 -4.928 1.620 -3.813 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.973 3.328 -5.985 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.725 1.863 -3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.724 2.408 -4.985 1.00 0.00 H new ATOM 274 N ALA A 20 -4.541 0.505 -6.694 1.00 0.00 N ATOM 275 CA ALA A 20 -4.379 -0.648 -7.564 1.00 0.00 C ATOM 276 C ALA A 20 -3.995 -0.174 -8.967 1.00 0.00 C ATOM 277 O ALA A 20 -3.219 -0.832 -9.658 1.00 0.00 O ATOM 278 CB ALA A 20 -5.667 -1.475 -7.560 1.00 0.00 C ATOM 0 H ALA A 20 -5.502 0.691 -6.408 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.577 -1.291 -7.203 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.546 -2.340 -8.212 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.880 -1.812 -6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.494 -0.862 -7.919 1.00 0.00 H new ATOM 284 N VAL A 21 -4.555 0.966 -9.345 1.00 0.00 N ATOM 285 CA VAL A 21 -4.279 1.536 -10.653 1.00 0.00 C ATOM 286 C VAL A 21 -2.769 1.533 -10.899 1.00 0.00 C ATOM 287 O VAL A 21 -2.292 0.910 -11.847 1.00 0.00 O ATOM 288 CB VAL A 21 -4.898 2.932 -10.757 1.00 0.00 C ATOM 289 CG1 VAL A 21 -4.447 3.637 -12.037 1.00 0.00 C ATOM 290 CG2 VAL A 21 -6.425 2.861 -10.677 1.00 0.00 C ATOM 0 H VAL A 21 -5.198 1.510 -8.769 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.737 0.932 -11.436 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.545 3.520 -9.910 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.901 4.627 -12.087 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.361 3.735 -12.035 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.757 3.052 -12.903 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.840 3.866 -10.753 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.804 2.249 -11.495 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.719 2.418 -9.726 1.00 0.00 H new ATOM 300 N ALA A 22 -2.058 2.235 -10.030 1.00 0.00 N ATOM 301 CA ALA A 22 -0.612 2.321 -10.140 1.00 0.00 C ATOM 302 C ALA A 22 -0.001 0.948 -9.855 1.00 0.00 C ATOM 303 O ALA A 22 1.140 0.682 -10.230 1.00 0.00 O ATOM 304 CB ALA A 22 -0.090 3.401 -9.189 1.00 0.00 C ATOM 0 H ALA A 22 -2.457 2.750 -9.245 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.320 2.608 -11.150 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.995 3.465 -9.272 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.532 4.362 -9.452 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.361 3.146 -8.165 1.00 0.00 H new ATOM 310 N LEU A 23 -0.787 0.111 -9.192 1.00 0.00 N ATOM 311 CA LEU A 23 -0.338 -1.228 -8.853 1.00 0.00 C ATOM 312 C LEU A 23 -0.303 -2.087 -10.118 1.00 0.00 C ATOM 313 O LEU A 23 0.755 -2.569 -10.517 1.00 0.00 O ATOM 314 CB LEU A 23 -1.201 -1.815 -7.735 1.00 0.00 C ATOM 315 CG LEU A 23 -0.582 -2.970 -6.945 1.00 0.00 C ATOM 316 CD1 LEU A 23 0.153 -2.455 -5.706 1.00 0.00 C ATOM 317 CD2 LEU A 23 -1.637 -4.020 -6.590 1.00 0.00 C ATOM 0 H LEU A 23 -1.732 0.335 -8.881 1.00 0.00 H new ATOM 0 HA LEU A 23 0.678 -1.200 -8.459 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.449 -1.015 -7.037 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.139 -2.160 -8.170 1.00 0.00 H new ATOM 0 HG LEU A 23 0.158 -3.459 -7.579 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.584 -3.296 -5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.948 -1.775 -6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.548 -1.927 -5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.170 -4.830 -6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.417 -3.561 -5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.076 -4.419 -7.505 1.00 0.00 H new ATOM 329 N LYS A 24 -1.474 -2.252 -10.715 1.00 0.00 N ATOM 330 CA LYS A 24 -1.592 -3.044 -11.928 1.00 0.00 C ATOM 331 C LYS A 24 -0.398 -2.753 -12.839 1.00 0.00 C ATOM 332 O LYS A 24 0.156 -3.664 -13.453 1.00 0.00 O ATOM 333 CB LYS A 24 -2.948 -2.805 -12.595 1.00 0.00 C ATOM 334 CG LYS A 24 -3.305 -3.955 -13.539 1.00 0.00 C ATOM 335 CD LYS A 24 -4.642 -4.588 -13.151 1.00 0.00 C ATOM 336 CE LYS A 24 -4.839 -5.930 -13.857 1.00 0.00 C ATOM 337 NZ LYS A 24 -5.224 -5.721 -15.271 1.00 0.00 N ATOM 0 H LYS A 24 -2.350 -1.851 -10.381 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.563 -4.108 -11.693 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.720 -2.703 -11.832 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.924 -1.868 -13.151 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.357 -3.586 -14.563 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.519 -4.710 -13.511 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.680 -4.732 -12.071 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.457 -3.913 -13.412 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.919 -6.512 -13.807 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.610 -6.507 -13.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.354 -6.643 -15.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.114 -5.184 -15.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.475 -5.189 -15.760 1.00 0.00 H new ATOM 351 N ARG A 25 -0.037 -1.479 -12.899 1.00 0.00 N ATOM 352 CA ARG A 25 1.081 -1.056 -13.725 1.00 0.00 C ATOM 353 C ARG A 25 2.405 -1.482 -13.086 1.00 0.00 C ATOM 354 O ARG A 25 3.302 -1.968 -13.773 1.00 0.00 O ATOM 355 CB ARG A 25 1.081 0.461 -13.919 1.00 0.00 C ATOM 356 CG ARG A 25 0.382 0.847 -15.224 1.00 0.00 C ATOM 357 CD ARG A 25 -0.440 2.126 -15.049 1.00 0.00 C ATOM 358 NE ARG A 25 0.166 3.228 -15.830 1.00 0.00 N ATOM 359 CZ ARG A 25 0.045 3.362 -17.157 1.00 0.00 C ATOM 360 NH1 ARG A 25 -0.660 2.466 -17.860 1.00 0.00 N ATOM 361 NH2 ARG A 25 0.630 4.394 -17.782 1.00 0.00 N ATOM 0 H ARG A 25 -0.499 -0.726 -12.389 1.00 0.00 H new ATOM 0 HA ARG A 25 0.973 -1.535 -14.698 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.578 0.939 -13.078 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.107 0.830 -13.929 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.124 0.992 -16.009 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.268 0.034 -15.547 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.465 1.957 -15.378 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.484 2.398 -13.994 1.00 0.00 H new ATOM 0 HE ARG A 25 0.709 3.929 -15.326 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.105 1.681 -17.385 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.752 2.569 -18.871 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.167 5.076 -17.247 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.538 4.497 -18.793 1.00 0.00 H new ATOM 375 N TYR A 26 2.484 -1.284 -11.778 1.00 0.00 N ATOM 376 CA TYR A 26 3.682 -1.641 -11.038 1.00 0.00 C ATOM 377 C TYR A 26 3.872 -3.158 -11.001 1.00 0.00 C ATOM 378 O TYR A 26 5.001 -3.647 -10.975 1.00 0.00 O ATOM 379 CB TYR A 26 3.466 -1.131 -9.613 1.00 0.00 C ATOM 380 CG TYR A 26 4.684 -1.293 -8.702 1.00 0.00 C ATOM 381 CD1 TYR A 26 5.125 -2.556 -8.358 1.00 0.00 C ATOM 382 CD2 TYR A 26 5.341 -0.179 -8.223 1.00 0.00 C ATOM 383 CE1 TYR A 26 6.271 -2.708 -7.500 1.00 0.00 C ATOM 384 CE2 TYR A 26 6.488 -0.332 -7.366 1.00 0.00 C ATOM 385 CZ TYR A 26 6.896 -1.589 -7.046 1.00 0.00 C ATOM 386 OH TYR A 26 7.979 -1.734 -6.236 1.00 0.00 O ATOM 0 H TYR A 26 1.737 -0.881 -11.212 1.00 0.00 H new ATOM 0 HA TYR A 26 4.565 -1.208 -11.507 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.193 -0.076 -9.653 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.622 -1.662 -9.172 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.611 -3.429 -8.732 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.995 0.808 -8.491 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.627 -3.689 -7.223 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.012 0.532 -6.986 1.00 0.00 H new ATOM 0 HH TYR A 26 8.324 -0.850 -5.990 1.00 0.00 H new ATOM 396 N VAL A 27 2.750 -3.864 -11.001 1.00 0.00 N ATOM 397 CA VAL A 27 2.778 -5.316 -10.967 1.00 0.00 C ATOM 398 C VAL A 27 3.293 -5.842 -12.308 1.00 0.00 C ATOM 399 O VAL A 27 4.217 -6.654 -12.348 1.00 0.00 O ATOM 400 CB VAL A 27 1.395 -5.858 -10.602 1.00 0.00 C ATOM 401 CG1 VAL A 27 1.438 -7.373 -10.389 1.00 0.00 C ATOM 402 CG2 VAL A 27 0.835 -5.147 -9.369 1.00 0.00 C ATOM 0 H VAL A 27 1.815 -3.456 -11.024 1.00 0.00 H new ATOM 0 HA VAL A 27 3.463 -5.668 -10.195 1.00 0.00 H new ATOM 0 HB VAL A 27 0.725 -5.656 -11.438 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.442 -7.733 -10.131 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.773 -7.860 -11.305 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.129 -7.607 -9.580 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.149 -5.551 -9.131 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.505 -5.303 -8.524 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.749 -4.080 -9.572 1.00 0.00 H new ATOM 412 N LEU A 28 2.672 -5.360 -13.374 1.00 0.00 N ATOM 413 CA LEU A 28 3.056 -5.773 -14.714 1.00 0.00 C ATOM 414 C LEU A 28 4.550 -5.513 -14.914 1.00 0.00 C ATOM 415 O LEU A 28 5.204 -6.201 -15.697 1.00 0.00 O ATOM 416 CB LEU A 28 2.168 -5.093 -15.758 1.00 0.00 C ATOM 417 CG LEU A 28 1.886 -5.901 -17.027 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.386 -5.948 -17.325 1.00 0.00 C ATOM 419 CD2 LEU A 28 2.688 -5.358 -18.212 1.00 0.00 C ATOM 0 H LEU A 28 1.906 -4.688 -13.338 1.00 0.00 H new ATOM 0 HA LEU A 28 2.898 -6.844 -14.843 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.215 -4.845 -15.290 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.636 -4.152 -16.047 1.00 0.00 H new ATOM 0 HG LEU A 28 2.214 -6.927 -16.858 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.213 -6.528 -18.232 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.136 -6.415 -16.490 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.011 -4.934 -17.466 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.469 -5.950 -19.101 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.413 -4.319 -18.391 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.753 -5.419 -17.989 1.00 0.00 H new ATOM 431 N ARG A 29 5.047 -4.520 -14.193 1.00 0.00 N ATOM 432 CA ARG A 29 6.452 -4.160 -14.282 1.00 0.00 C ATOM 433 C ARG A 29 6.752 -2.959 -13.383 1.00 0.00 C ATOM 434 O ARG A 29 5.839 -2.365 -12.811 1.00 0.00 O ATOM 435 CB ARG A 29 6.845 -3.822 -15.722 1.00 0.00 C ATOM 436 CG ARG A 29 6.118 -2.566 -16.206 1.00 0.00 C ATOM 437 CD ARG A 29 6.980 -1.319 -15.999 1.00 0.00 C ATOM 438 NE ARG A 29 7.284 -0.691 -17.305 1.00 0.00 N ATOM 439 CZ ARG A 29 8.374 0.050 -17.547 1.00 0.00 C ATOM 440 NH1 ARG A 29 9.271 0.260 -16.573 1.00 0.00 N ATOM 441 NH2 ARG A 29 8.567 0.580 -18.762 1.00 0.00 N ATOM 0 H ARG A 29 4.502 -3.953 -13.544 1.00 0.00 H new ATOM 0 HA ARG A 29 7.035 -5.020 -13.951 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.923 -3.669 -15.783 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.604 -4.661 -16.375 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.870 -2.670 -17.262 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.177 -2.456 -15.667 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.459 -0.609 -15.357 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.906 -1.587 -15.491 1.00 0.00 H new ATOM 0 HE ARG A 29 6.622 -0.831 -18.068 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.124 -0.144 -15.648 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.101 0.824 -16.757 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.884 0.420 -19.503 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.397 1.144 -18.946 1.00 0.00 H new ATOM 455 N SER A 30 8.034 -2.637 -13.286 1.00 0.00 N ATOM 456 CA SER A 30 8.464 -1.517 -12.467 1.00 0.00 C ATOM 457 C SER A 30 8.823 -0.325 -13.355 1.00 0.00 C ATOM 458 O SER A 30 9.983 -0.145 -13.719 1.00 0.00 O ATOM 459 CB SER A 30 9.657 -1.904 -11.590 1.00 0.00 C ATOM 460 OG SER A 30 9.250 -2.335 -10.294 1.00 0.00 O ATOM 0 H SER A 30 8.788 -3.132 -13.761 1.00 0.00 H new ATOM 0 HA SER A 30 7.640 -1.237 -11.811 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.221 -2.700 -12.076 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.328 -1.051 -11.494 1.00 0.00 H new ATOM 0 HG SER A 30 10.040 -2.575 -9.766 1.00 0.00 H new ATOM 466 N GLY A 31 7.804 0.456 -13.681 1.00 0.00 N ATOM 467 CA GLY A 31 7.997 1.626 -14.522 1.00 0.00 C ATOM 468 C GLY A 31 7.291 2.849 -13.931 1.00 0.00 C ATOM 469 O GLY A 31 7.842 3.949 -13.932 1.00 0.00 O ATOM 0 H GLY A 31 6.842 0.302 -13.378 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.062 1.832 -14.626 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.612 1.427 -15.522 1.00 0.00 H new ATOM 473 N ILE A 32 6.083 2.614 -13.438 1.00 0.00 N ATOM 474 CA ILE A 32 5.297 3.682 -12.844 1.00 0.00 C ATOM 475 C ILE A 32 6.069 4.287 -11.671 1.00 0.00 C ATOM 476 O ILE A 32 6.950 3.642 -11.104 1.00 0.00 O ATOM 477 CB ILE A 32 3.903 3.176 -12.467 1.00 0.00 C ATOM 478 CG1 ILE A 32 3.002 4.329 -12.025 1.00 0.00 C ATOM 479 CG2 ILE A 32 3.988 2.075 -11.408 1.00 0.00 C ATOM 480 CD1 ILE A 32 1.559 3.857 -11.837 1.00 0.00 C ATOM 0 H ILE A 32 5.630 1.700 -13.438 1.00 0.00 H new ATOM 0 HA ILE A 32 5.136 4.482 -13.566 1.00 0.00 H new ATOM 0 HB ILE A 32 3.448 2.735 -13.354 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.375 4.749 -11.091 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.034 5.126 -12.768 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.984 1.733 -11.158 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.570 1.240 -11.798 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.471 2.467 -10.513 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.940 4.697 -11.523 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.181 3.460 -12.779 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.527 3.078 -11.076 1.00 0.00 H new ATOM 492 N SER A 33 5.712 5.519 -11.340 1.00 0.00 N ATOM 493 CA SER A 33 6.360 6.218 -10.244 1.00 0.00 C ATOM 494 C SER A 33 5.494 6.138 -8.987 1.00 0.00 C ATOM 495 O SER A 33 4.354 6.600 -8.984 1.00 0.00 O ATOM 496 CB SER A 33 6.635 7.679 -10.608 1.00 0.00 C ATOM 497 OG SER A 33 7.888 7.839 -11.267 1.00 0.00 O ATOM 0 H SER A 33 4.981 6.051 -11.812 1.00 0.00 H new ATOM 0 HA SER A 33 7.317 5.734 -10.049 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.837 8.048 -11.252 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.621 8.287 -9.703 1.00 0.00 H new ATOM 0 HG SER A 33 8.025 8.785 -11.484 1.00 0.00 H new ATOM 503 N ILE A 34 6.067 5.548 -7.947 1.00 0.00 N ATOM 504 CA ILE A 34 5.360 5.401 -6.686 1.00 0.00 C ATOM 505 C ILE A 34 6.367 5.445 -5.535 1.00 0.00 C ATOM 506 O ILE A 34 7.557 5.211 -5.738 1.00 0.00 O ATOM 507 CB ILE A 34 4.496 4.139 -6.700 1.00 0.00 C ATOM 508 CG1 ILE A 34 5.340 2.893 -6.427 1.00 0.00 C ATOM 509 CG2 ILE A 34 3.713 4.025 -8.010 1.00 0.00 C ATOM 510 CD1 ILE A 34 4.515 1.813 -5.726 1.00 0.00 C ATOM 0 H ILE A 34 7.013 5.166 -7.952 1.00 0.00 H new ATOM 0 HA ILE A 34 4.668 6.230 -6.537 1.00 0.00 H new ATOM 0 HB ILE A 34 3.766 4.216 -5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.733 2.503 -7.366 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.197 3.159 -5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.107 3.119 -7.994 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.064 4.894 -8.123 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.409 3.981 -8.847 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.140 0.939 -5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.144 2.198 -4.776 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.672 1.532 -6.357 1.00 0.00 H new ATOM 522 N ASN A 35 5.852 5.746 -4.352 1.00 0.00 N ATOM 523 CA ASN A 35 6.691 5.824 -3.169 1.00 0.00 C ATOM 524 C ASN A 35 7.256 4.436 -2.857 1.00 0.00 C ATOM 525 O ASN A 35 6.820 3.784 -1.909 1.00 0.00 O ATOM 526 CB ASN A 35 5.887 6.292 -1.953 1.00 0.00 C ATOM 527 CG ASN A 35 4.892 7.386 -2.343 1.00 0.00 C ATOM 528 OD1 ASN A 35 5.160 8.571 -2.238 1.00 0.00 O ATOM 529 ND2 ASN A 35 3.730 6.924 -2.796 1.00 0.00 N ATOM 0 H ASN A 35 4.864 5.939 -4.188 1.00 0.00 H new ATOM 0 HA ASN A 35 7.490 6.537 -3.369 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.353 5.447 -1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.565 6.668 -1.187 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.998 7.575 -3.081 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.570 5.919 -2.859 1.00 0.00 H new ATOM 536 N THR A 36 8.215 4.026 -3.672 1.00 0.00 N ATOM 537 CA THR A 36 8.843 2.728 -3.496 1.00 0.00 C ATOM 538 C THR A 36 9.728 2.729 -2.249 1.00 0.00 C ATOM 539 O THR A 36 10.344 1.716 -1.919 1.00 0.00 O ATOM 540 CB THR A 36 9.604 2.392 -4.781 1.00 0.00 C ATOM 541 OG1 THR A 36 10.497 1.351 -4.392 1.00 0.00 O ATOM 542 CG2 THR A 36 10.526 3.527 -5.229 1.00 0.00 C ATOM 0 H THR A 36 8.573 4.570 -4.457 1.00 0.00 H new ATOM 0 HA THR A 36 8.100 1.949 -3.328 1.00 0.00 H new ATOM 0 HB THR A 36 8.893 2.167 -5.576 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.307 1.085 -3.468 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.042 3.237 -6.144 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.935 4.424 -5.414 1.00 0.00 H new ATOM 0 HG23 THR A 36 11.259 3.730 -4.448 1.00 0.00 H new ATOM 550 N ASP A 37 9.764 3.877 -1.588 1.00 0.00 N ATOM 551 CA ASP A 37 10.564 4.024 -0.384 1.00 0.00 C ATOM 552 C ASP A 37 10.060 3.045 0.679 1.00 0.00 C ATOM 553 O ASP A 37 10.693 2.023 0.936 1.00 0.00 O ATOM 554 CB ASP A 37 10.449 5.440 0.185 1.00 0.00 C ATOM 555 CG ASP A 37 11.617 6.368 -0.154 1.00 0.00 C ATOM 556 OD1 ASP A 37 12.261 6.114 -1.194 1.00 0.00 O ATOM 557 OD2 ASP A 37 11.840 7.311 0.636 1.00 0.00 O ATOM 0 H ASP A 37 9.252 4.715 -1.864 1.00 0.00 H new ATOM 0 HA ASP A 37 11.604 3.823 -0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.527 5.890 -0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.360 5.374 1.269 1.00 0.00 H new ATOM 562 N ASN A 38 8.926 3.394 1.269 1.00 0.00 N ATOM 563 CA ASN A 38 8.330 2.560 2.299 1.00 0.00 C ATOM 564 C ASN A 38 7.030 1.953 1.768 1.00 0.00 C ATOM 565 O ASN A 38 6.109 1.679 2.537 1.00 0.00 O ATOM 566 CB ASN A 38 7.995 3.379 3.546 1.00 0.00 C ATOM 567 CG ASN A 38 7.641 4.820 3.177 1.00 0.00 C ATOM 568 OD1 ASN A 38 8.368 5.507 2.477 1.00 0.00 O ATOM 569 ND2 ASN A 38 6.484 5.240 3.683 1.00 0.00 N ATOM 0 H ASN A 38 8.404 4.243 1.053 1.00 0.00 H new ATOM 0 HA ASN A 38 9.048 1.783 2.561 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.159 2.919 4.074 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.845 3.373 4.228 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.158 6.188 3.492 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.923 4.614 4.261 1.00 0.00 H new ATOM 576 N ALA A 39 6.995 1.761 0.458 1.00 0.00 N ATOM 577 CA ALA A 39 5.822 1.192 -0.184 1.00 0.00 C ATOM 578 C ALA A 39 5.680 -0.275 0.230 1.00 0.00 C ATOM 579 O ALA A 39 4.620 -0.693 0.692 1.00 0.00 O ATOM 580 CB ALA A 39 5.938 1.360 -1.701 1.00 0.00 C ATOM 0 H ALA A 39 7.760 1.989 -0.177 1.00 0.00 H new ATOM 0 HA ALA A 39 4.920 1.714 0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.058 0.933 -2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.007 2.420 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.831 0.847 -2.057 1.00 0.00 H new ATOM 586 N ASP A 40 6.764 -1.015 0.051 1.00 0.00 N ATOM 587 CA ASP A 40 6.773 -2.425 0.401 1.00 0.00 C ATOM 588 C ASP A 40 7.196 -2.580 1.863 1.00 0.00 C ATOM 589 O ASP A 40 8.051 -1.841 2.348 1.00 0.00 O ATOM 590 CB ASP A 40 7.770 -3.200 -0.464 1.00 0.00 C ATOM 591 CG ASP A 40 8.156 -4.579 0.074 1.00 0.00 C ATOM 592 OD1 ASP A 40 7.246 -5.430 0.161 1.00 0.00 O ATOM 593 OD2 ASP A 40 9.354 -4.751 0.387 1.00 0.00 O ATOM 0 H ASP A 40 7.642 -0.665 -0.332 1.00 0.00 H new ATOM 0 HA ASP A 40 5.770 -2.820 0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.346 -3.321 -1.461 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.675 -2.602 -0.573 1.00 0.00 H new ATOM 598 N LEU A 41 6.576 -3.547 2.525 1.00 0.00 N ATOM 599 CA LEU A 41 6.876 -3.809 3.922 1.00 0.00 C ATOM 600 C LEU A 41 6.840 -5.318 4.173 1.00 0.00 C ATOM 601 O LEU A 41 6.748 -5.758 5.318 1.00 0.00 O ATOM 602 CB LEU A 41 5.939 -3.012 4.830 1.00 0.00 C ATOM 603 CG LEU A 41 5.925 -1.497 4.616 1.00 0.00 C ATOM 604 CD1 LEU A 41 4.626 -1.051 3.939 1.00 0.00 C ATOM 605 CD2 LEU A 41 6.170 -0.753 5.931 1.00 0.00 C ATOM 0 H LEU A 41 5.867 -4.158 2.119 1.00 0.00 H new ATOM 0 HA LEU A 41 7.883 -3.469 4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.925 -3.388 4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.214 -3.210 5.866 1.00 0.00 H new ATOM 0 HG LEU A 41 6.744 -1.240 3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.641 0.030 3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.534 -1.542 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.777 -1.323 4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.155 0.322 5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.389 -1.011 6.646 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.141 -1.039 6.335 1.00 0.00 H new ATOM 617 N ASN A 42 6.913 -6.068 3.084 1.00 0.00 N ATOM 618 CA ASN A 42 6.889 -7.519 3.172 1.00 0.00 C ATOM 619 C ASN A 42 7.763 -8.107 2.061 1.00 0.00 C ATOM 620 O ASN A 42 7.635 -9.283 1.723 1.00 0.00 O ATOM 621 CB ASN A 42 5.469 -8.058 2.992 1.00 0.00 C ATOM 622 CG ASN A 42 4.439 -7.103 3.599 1.00 0.00 C ATOM 623 OD1 ASN A 42 4.083 -6.087 3.024 1.00 0.00 O ATOM 624 ND2 ASN A 42 3.983 -7.483 4.788 1.00 0.00 N ATOM 0 H ASN A 42 6.989 -5.699 2.136 1.00 0.00 H new ATOM 0 HA ASN A 42 7.260 -7.804 4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.261 -8.197 1.931 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.385 -9.037 3.464 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.293 -6.912 5.276 1.00 0.00 H new ATOM 0 HD22 ASN A 42 4.323 -8.346 5.213 1.00 0.00 H new ATOM 631 N GLU A 43 8.629 -7.261 1.523 1.00 0.00 N ATOM 632 CA GLU A 43 9.522 -7.682 0.457 1.00 0.00 C ATOM 633 C GLU A 43 8.718 -8.224 -0.727 1.00 0.00 C ATOM 634 O GLU A 43 9.162 -9.143 -1.414 1.00 0.00 O ATOM 635 CB GLU A 43 10.525 -8.722 0.961 1.00 0.00 C ATOM 636 CG GLU A 43 11.962 -8.280 0.677 1.00 0.00 C ATOM 637 CD GLU A 43 12.968 -9.251 1.301 1.00 0.00 C ATOM 638 OE1 GLU A 43 13.176 -9.140 2.527 1.00 0.00 O ATOM 639 OE2 GLU A 43 13.505 -10.080 0.536 1.00 0.00 O ATOM 0 H GLU A 43 8.731 -6.286 1.805 1.00 0.00 H new ATOM 0 HA GLU A 43 10.088 -6.814 0.119 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.392 -8.872 2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.334 -9.681 0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.123 -8.225 -0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.123 -7.278 1.075 1.00 0.00 H new ATOM 646 N ASP A 44 7.550 -7.633 -0.927 1.00 0.00 N ATOM 647 CA ASP A 44 6.680 -8.046 -2.016 1.00 0.00 C ATOM 648 C ASP A 44 6.544 -6.897 -3.017 1.00 0.00 C ATOM 649 O ASP A 44 6.389 -7.129 -4.215 1.00 0.00 O ATOM 650 CB ASP A 44 5.282 -8.393 -1.502 1.00 0.00 C ATOM 651 CG ASP A 44 5.251 -9.327 -0.291 1.00 0.00 C ATOM 652 OD1 ASP A 44 6.266 -10.030 -0.091 1.00 0.00 O ATOM 653 OD2 ASP A 44 4.213 -9.319 0.406 1.00 0.00 O ATOM 0 H ASP A 44 7.185 -6.872 -0.354 1.00 0.00 H new ATOM 0 HA ASP A 44 7.120 -8.926 -2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.767 -7.468 -1.242 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.718 -8.855 -2.312 1.00 0.00 H new ATOM 658 N GLY A 45 6.607 -5.683 -2.490 1.00 0.00 N ATOM 659 CA GLY A 45 6.493 -4.499 -3.323 1.00 0.00 C ATOM 660 C GLY A 45 5.396 -3.567 -2.804 1.00 0.00 C ATOM 661 O GLY A 45 5.654 -2.400 -2.513 1.00 0.00 O ATOM 0 H GLY A 45 6.736 -5.494 -1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.446 -3.970 -3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.271 -4.792 -4.349 1.00 0.00 H new ATOM 665 N ARG A 46 4.195 -4.117 -2.704 1.00 0.00 N ATOM 666 CA ARG A 46 3.058 -3.349 -2.225 1.00 0.00 C ATOM 667 C ARG A 46 1.984 -4.286 -1.667 1.00 0.00 C ATOM 668 O ARG A 46 2.043 -4.680 -0.502 1.00 0.00 O ATOM 669 CB ARG A 46 2.453 -2.503 -3.346 1.00 0.00 C ATOM 670 CG ARG A 46 3.303 -1.259 -3.613 1.00 0.00 C ATOM 671 CD ARG A 46 4.174 -1.446 -4.858 1.00 0.00 C ATOM 672 NE ARG A 46 3.352 -1.958 -5.977 1.00 0.00 N ATOM 673 CZ ARG A 46 3.344 -3.236 -6.380 1.00 0.00 C ATOM 674 NH1 ARG A 46 4.113 -4.139 -5.757 1.00 0.00 N ATOM 675 NH2 ARG A 46 2.567 -3.610 -7.405 1.00 0.00 N ATOM 0 H ARG A 46 3.984 -5.085 -2.946 1.00 0.00 H new ATOM 0 HA ARG A 46 3.414 -2.686 -1.437 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.378 -3.099 -4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.440 -2.205 -3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.655 -0.393 -3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.936 -1.055 -2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.633 -0.497 -5.137 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.985 -2.142 -4.644 1.00 0.00 H new ATOM 0 HE ARG A 46 2.754 -1.297 -6.473 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.704 -3.854 -4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.107 -5.112 -6.063 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.982 -2.922 -7.879 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.561 -4.583 -7.712 1.00 0.00 H new ATOM 689 N VAL A 47 1.027 -4.614 -2.522 1.00 0.00 N ATOM 690 CA VAL A 47 -0.058 -5.496 -2.129 1.00 0.00 C ATOM 691 C VAL A 47 -0.225 -6.594 -3.181 1.00 0.00 C ATOM 692 O VAL A 47 -1.085 -6.492 -4.057 1.00 0.00 O ATOM 693 CB VAL A 47 -1.336 -4.685 -1.903 1.00 0.00 C ATOM 694 CG1 VAL A 47 -1.074 -3.497 -0.973 1.00 0.00 C ATOM 695 CG2 VAL A 47 -1.932 -4.219 -3.232 1.00 0.00 C ATOM 0 H VAL A 47 0.981 -4.284 -3.486 1.00 0.00 H new ATOM 0 HA VAL A 47 0.172 -5.986 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.064 -5.336 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.998 -2.937 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.716 -3.861 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.321 -2.846 -1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.839 -3.645 -3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.209 -3.593 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.173 -5.086 -3.847 1.00 0.00 H new ATOM 705 N ASN A 48 0.608 -7.616 -3.062 1.00 0.00 N ATOM 706 CA ASN A 48 0.563 -8.730 -3.992 1.00 0.00 C ATOM 707 C ASN A 48 -0.622 -9.633 -3.643 1.00 0.00 C ATOM 708 O ASN A 48 -1.283 -10.167 -4.533 1.00 0.00 O ATOM 709 CB ASN A 48 1.839 -9.571 -3.907 1.00 0.00 C ATOM 710 CG ASN A 48 2.943 -8.983 -4.788 1.00 0.00 C ATOM 711 OD1 ASN A 48 3.389 -9.582 -5.752 1.00 0.00 O ATOM 712 ND2 ASN A 48 3.357 -7.778 -4.403 1.00 0.00 N ATOM 0 H ASN A 48 1.319 -7.696 -2.335 1.00 0.00 H new ATOM 0 HA ASN A 48 0.465 -8.324 -4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.180 -9.617 -2.873 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.626 -10.594 -4.218 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.091 -7.300 -4.926 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.940 -7.333 -3.585 1.00 0.00 H new ATOM 719 N SER A 49 -0.853 -9.776 -2.347 1.00 0.00 N ATOM 720 CA SER A 49 -1.948 -10.606 -1.869 1.00 0.00 C ATOM 721 C SER A 49 -1.831 -10.804 -0.356 1.00 0.00 C ATOM 722 O SER A 49 -2.841 -10.880 0.342 1.00 0.00 O ATOM 723 CB SER A 49 -1.965 -11.959 -2.582 1.00 0.00 C ATOM 724 OG SER A 49 -2.971 -12.019 -3.590 1.00 0.00 O ATOM 0 H SER A 49 -0.302 -9.332 -1.612 1.00 0.00 H new ATOM 0 HA SER A 49 -2.886 -10.097 -2.091 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.990 -12.144 -3.032 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.135 -12.751 -1.853 1.00 0.00 H new ATOM 0 HG SER A 49 -2.756 -11.385 -4.305 1.00 0.00 H new ATOM 730 N THR A 50 -0.592 -10.882 0.104 1.00 0.00 N ATOM 731 CA THR A 50 -0.331 -11.071 1.522 1.00 0.00 C ATOM 732 C THR A 50 -0.463 -9.743 2.269 1.00 0.00 C ATOM 733 O THR A 50 -1.006 -9.698 3.372 1.00 0.00 O ATOM 734 CB THR A 50 1.049 -11.715 1.667 1.00 0.00 C ATOM 735 OG1 THR A 50 0.853 -13.057 1.227 1.00 0.00 O ATOM 736 CG2 THR A 50 1.476 -11.861 3.129 1.00 0.00 C ATOM 0 H THR A 50 0.243 -10.818 -0.479 1.00 0.00 H new ATOM 0 HA THR A 50 -1.065 -11.737 1.974 1.00 0.00 H new ATOM 0 HB THR A 50 1.787 -11.118 1.131 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.699 -13.548 1.286 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.462 -12.323 3.176 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.514 -10.877 3.597 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.757 -12.487 3.657 1.00 0.00 H new ATOM 744 N ASP A 51 0.042 -8.692 1.639 1.00 0.00 N ATOM 745 CA ASP A 51 -0.012 -7.367 2.231 1.00 0.00 C ATOM 746 C ASP A 51 -1.433 -6.814 2.101 1.00 0.00 C ATOM 747 O ASP A 51 -1.937 -6.169 3.020 1.00 0.00 O ATOM 748 CB ASP A 51 0.937 -6.404 1.513 1.00 0.00 C ATOM 749 CG ASP A 51 2.103 -7.071 0.783 1.00 0.00 C ATOM 750 OD1 ASP A 51 3.005 -7.571 1.490 1.00 0.00 O ATOM 751 OD2 ASP A 51 2.069 -7.065 -0.466 1.00 0.00 O ATOM 0 H ASP A 51 0.491 -8.732 0.724 1.00 0.00 H new ATOM 0 HA ASP A 51 0.283 -7.452 3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.363 -5.821 0.793 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.339 -5.702 2.243 1.00 0.00 H new ATOM 756 N LEU A 52 -2.038 -7.085 0.955 1.00 0.00 N ATOM 757 CA LEU A 52 -3.390 -6.622 0.694 1.00 0.00 C ATOM 758 C LEU A 52 -4.222 -6.744 1.972 1.00 0.00 C ATOM 759 O LEU A 52 -4.933 -5.812 2.346 1.00 0.00 O ATOM 760 CB LEU A 52 -3.988 -7.364 -0.503 1.00 0.00 C ATOM 761 CG LEU A 52 -4.973 -8.489 -0.171 1.00 0.00 C ATOM 762 CD1 LEU A 52 -6.305 -7.922 0.324 1.00 0.00 C ATOM 763 CD2 LEU A 52 -5.157 -9.427 -1.364 1.00 0.00 C ATOM 0 H LEU A 52 -1.617 -7.620 0.196 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.385 -5.568 0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.496 -6.638 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.171 -7.784 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.553 -9.082 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.987 -8.741 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.136 -7.329 1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.742 -7.292 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.861 -10.216 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.544 -8.864 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.197 -9.871 -1.630 1.00 0.00 H new ATOM 775 N GLY A 53 -4.103 -7.900 2.609 1.00 0.00 N ATOM 776 CA GLY A 53 -4.835 -8.156 3.837 1.00 0.00 C ATOM 777 C GLY A 53 -4.603 -7.038 4.856 1.00 0.00 C ATOM 778 O GLY A 53 -5.409 -6.115 4.965 1.00 0.00 O ATOM 0 H GLY A 53 -3.510 -8.669 2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.900 -8.240 3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.520 -9.110 4.260 1.00 0.00 H new ATOM 782 N ILE A 54 -3.498 -7.158 5.578 1.00 0.00 N ATOM 783 CA ILE A 54 -3.150 -6.169 6.583 1.00 0.00 C ATOM 784 C ILE A 54 -3.402 -4.768 6.025 1.00 0.00 C ATOM 785 O ILE A 54 -3.968 -3.915 6.708 1.00 0.00 O ATOM 786 CB ILE A 54 -1.718 -6.387 7.075 1.00 0.00 C ATOM 787 CG1 ILE A 54 -1.665 -6.448 8.603 1.00 0.00 C ATOM 788 CG2 ILE A 54 -0.777 -5.320 6.511 1.00 0.00 C ATOM 789 CD1 ILE A 54 -2.324 -5.215 9.224 1.00 0.00 C ATOM 0 H ILE A 54 -2.832 -7.925 5.486 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.785 -6.280 7.462 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.372 -7.352 6.703 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.169 -7.349 8.952 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.628 -6.515 8.932 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.235 -5.498 6.876 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.784 -5.368 5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.111 -4.334 6.833 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.273 -5.283 10.311 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.802 -4.317 8.892 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.367 -5.164 8.912 1.00 0.00 H new ATOM 801 N LEU A 55 -2.972 -4.573 4.787 1.00 0.00 N ATOM 802 CA LEU A 55 -3.144 -3.289 4.128 1.00 0.00 C ATOM 803 C LEU A 55 -4.618 -2.885 4.185 1.00 0.00 C ATOM 804 O LEU A 55 -4.959 -1.842 4.742 1.00 0.00 O ATOM 805 CB LEU A 55 -2.573 -3.334 2.710 1.00 0.00 C ATOM 806 CG LEU A 55 -1.063 -3.119 2.587 1.00 0.00 C ATOM 807 CD1 LEU A 55 -0.729 -1.630 2.474 1.00 0.00 C ATOM 808 CD2 LEU A 55 -0.318 -3.787 3.744 1.00 0.00 C ATOM 0 H LEU A 55 -2.505 -5.283 4.223 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.581 -2.515 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.819 -4.301 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.078 -2.575 2.112 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.724 -3.596 1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.350 -1.505 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.214 -1.214 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.085 -1.109 3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.753 -3.619 3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.656 -3.361 4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.520 -4.858 3.737 1.00 0.00 H new ATOM 820 N LYS A 56 -5.454 -3.732 3.602 1.00 0.00 N ATOM 821 CA LYS A 56 -6.884 -3.477 3.580 1.00 0.00 C ATOM 822 C LYS A 56 -7.448 -3.635 4.993 1.00 0.00 C ATOM 823 O LYS A 56 -8.625 -3.367 5.228 1.00 0.00 O ATOM 824 CB LYS A 56 -7.571 -4.366 2.540 1.00 0.00 C ATOM 825 CG LYS A 56 -7.714 -5.799 3.054 1.00 0.00 C ATOM 826 CD LYS A 56 -9.156 -6.291 2.915 1.00 0.00 C ATOM 827 CE LYS A 56 -9.855 -6.332 4.275 1.00 0.00 C ATOM 828 NZ LYS A 56 -10.136 -7.730 4.672 1.00 0.00 N ATOM 0 H LYS A 56 -5.168 -4.596 3.141 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.083 -2.451 3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.555 -3.961 2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.994 -4.363 1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.046 -6.457 2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.409 -5.846 4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.705 -5.634 2.240 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.163 -7.285 2.468 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.228 -5.853 5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.786 -5.767 4.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.611 -7.739 5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.752 -8.175 3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.243 -8.259 4.736 1.00 0.00 H new ATOM 842 N ARG A 57 -6.582 -4.069 5.897 1.00 0.00 N ATOM 843 CA ARG A 57 -6.979 -4.265 7.280 1.00 0.00 C ATOM 844 C ARG A 57 -6.717 -2.996 8.094 1.00 0.00 C ATOM 845 O ARG A 57 -7.537 -2.604 8.922 1.00 0.00 O ATOM 846 CB ARG A 57 -6.218 -5.433 7.911 1.00 0.00 C ATOM 847 CG ARG A 57 -7.149 -6.297 8.764 1.00 0.00 C ATOM 848 CD ARG A 57 -6.485 -6.674 10.090 1.00 0.00 C ATOM 849 NE ARG A 57 -7.297 -7.694 10.791 1.00 0.00 N ATOM 850 CZ ARG A 57 -6.987 -8.206 11.990 1.00 0.00 C ATOM 851 NH1 ARG A 57 -5.883 -7.796 12.629 1.00 0.00 N ATOM 852 NH2 ARG A 57 -7.783 -9.128 12.550 1.00 0.00 N ATOM 0 H ARG A 57 -5.606 -4.290 5.698 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.045 -4.492 7.289 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.766 -6.042 7.128 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.404 -5.051 8.527 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.076 -5.757 8.958 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.415 -7.201 8.216 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.482 -7.059 9.907 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.378 -5.789 10.717 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.145 -8.028 10.333 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.278 -7.094 12.203 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.647 -8.186 13.542 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.624 -9.439 12.063 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.548 -9.518 13.463 1.00 0.00 H new ATOM 866 N TYR A 58 -5.570 -2.388 7.827 1.00 0.00 N ATOM 867 CA TYR A 58 -5.189 -1.170 8.524 1.00 0.00 C ATOM 868 C TYR A 58 -5.715 0.067 7.794 1.00 0.00 C ATOM 869 O TYR A 58 -6.197 1.006 8.423 1.00 0.00 O ATOM 870 CB TYR A 58 -3.660 -1.142 8.518 1.00 0.00 C ATOM 871 CG TYR A 58 -3.060 -0.195 7.475 1.00 0.00 C ATOM 872 CD1 TYR A 58 -3.321 1.158 7.542 1.00 0.00 C ATOM 873 CD2 TYR A 58 -2.260 -0.695 6.469 1.00 0.00 C ATOM 874 CE1 TYR A 58 -2.757 2.049 6.561 1.00 0.00 C ATOM 875 CE2 TYR A 58 -1.695 0.196 5.488 1.00 0.00 C ATOM 876 CZ TYR A 58 -1.971 1.523 5.583 1.00 0.00 C ATOM 877 OH TYR A 58 -1.438 2.365 4.656 1.00 0.00 O ATOM 0 H TYR A 58 -4.893 -2.715 7.138 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.603 -1.159 9.532 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.308 -0.847 9.507 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.289 -2.150 8.335 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.948 1.549 8.330 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.057 -1.754 6.417 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.953 3.110 6.601 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.067 -0.182 4.695 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.515 3.290 4.971 1.00 0.00 H new ATOM 887 N ILE A 59 -5.603 0.026 6.473 1.00 0.00 N ATOM 888 CA ILE A 59 -6.061 1.133 5.650 1.00 0.00 C ATOM 889 C ILE A 59 -7.557 1.351 5.883 1.00 0.00 C ATOM 890 O ILE A 59 -8.070 2.448 5.662 1.00 0.00 O ATOM 891 CB ILE A 59 -5.694 0.896 4.183 1.00 0.00 C ATOM 892 CG1 ILE A 59 -6.601 -0.164 3.556 1.00 0.00 C ATOM 893 CG2 ILE A 59 -4.213 0.542 4.038 1.00 0.00 C ATOM 894 CD1 ILE A 59 -7.749 0.485 2.780 1.00 0.00 C ATOM 0 H ILE A 59 -5.202 -0.755 5.954 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.556 2.056 5.936 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.857 1.824 3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.018 -0.797 2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.004 -0.810 4.336 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.979 0.379 2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.604 1.360 4.422 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.999 -0.366 4.602 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.378 -0.291 2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.345 1.098 3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.343 1.111 1.985 1.00 0.00 H new ATOM 906 N LEU A 60 -8.216 0.290 6.324 1.00 0.00 N ATOM 907 CA LEU A 60 -9.643 0.352 6.589 1.00 0.00 C ATOM 908 C LEU A 60 -9.958 1.631 7.368 1.00 0.00 C ATOM 909 O LEU A 60 -11.001 2.249 7.159 1.00 0.00 O ATOM 910 CB LEU A 60 -10.115 -0.925 7.288 1.00 0.00 C ATOM 911 CG LEU A 60 -11.491 -1.448 6.871 1.00 0.00 C ATOM 912 CD1 LEU A 60 -12.608 -0.613 7.499 1.00 0.00 C ATOM 913 CD2 LEU A 60 -11.613 -1.517 5.347 1.00 0.00 C ATOM 0 H LEU A 60 -7.788 -0.618 6.505 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.201 0.401 5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.380 -1.709 7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.127 -0.744 8.363 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.599 -2.465 7.248 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.576 -1.006 7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.531 -0.660 8.585 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.515 0.423 7.173 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.600 -1.892 5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.475 -0.521 4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.850 -2.187 4.951 1.00 0.00 H new ATOM 925 N LYS A 61 -9.037 1.991 8.250 1.00 0.00 N ATOM 926 CA LYS A 61 -9.203 3.185 9.061 1.00 0.00 C ATOM 927 C LYS A 61 -8.001 3.332 9.995 1.00 0.00 C ATOM 928 O LYS A 61 -7.569 4.447 10.287 1.00 0.00 O ATOM 929 CB LYS A 61 -10.548 3.155 9.789 1.00 0.00 C ATOM 930 CG LYS A 61 -10.574 4.168 10.935 1.00 0.00 C ATOM 931 CD LYS A 61 -10.019 3.555 12.222 1.00 0.00 C ATOM 932 CE LYS A 61 -11.052 3.613 13.348 1.00 0.00 C ATOM 933 NZ LYS A 61 -10.806 4.785 14.217 1.00 0.00 N ATOM 0 H LYS A 61 -8.173 1.476 8.421 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.228 4.074 8.431 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.351 3.375 9.086 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.732 2.154 10.179 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.987 5.045 10.663 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.596 4.508 11.101 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.731 2.519 12.041 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.117 4.088 12.523 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.056 3.670 12.926 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.006 2.698 13.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.516 4.809 14.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.856 4.715 14.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.873 5.656 13.652 1.00 0.00 H new ATOM 947 N GLU A 62 -7.494 2.192 10.441 1.00 0.00 N ATOM 948 CA GLU A 62 -6.350 2.180 11.337 1.00 0.00 C ATOM 949 C GLU A 62 -5.223 3.046 10.770 1.00 0.00 C ATOM 950 O GLU A 62 -4.314 3.443 11.498 1.00 0.00 O ATOM 951 CB GLU A 62 -5.869 0.751 11.593 1.00 0.00 C ATOM 952 CG GLU A 62 -6.215 0.301 13.013 1.00 0.00 C ATOM 953 CD GLU A 62 -6.198 -1.225 13.125 1.00 0.00 C ATOM 954 OE1 GLU A 62 -6.230 -1.873 12.056 1.00 0.00 O ATOM 955 OE2 GLU A 62 -6.152 -1.710 14.276 1.00 0.00 O ATOM 0 H GLU A 62 -7.855 1.269 10.198 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.658 2.601 12.294 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.328 0.075 10.872 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.791 0.694 11.442 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.502 0.729 13.718 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.200 0.678 13.288 1.00 0.00 H new ATOM 962 N ILE A 63 -5.319 3.313 9.476 1.00 0.00 N ATOM 963 CA ILE A 63 -4.319 4.124 8.804 1.00 0.00 C ATOM 964 C ILE A 63 -3.748 5.145 9.790 1.00 0.00 C ATOM 965 O ILE A 63 -4.372 6.170 10.059 1.00 0.00 O ATOM 966 CB ILE A 63 -4.903 4.754 7.537 1.00 0.00 C ATOM 967 CG1 ILE A 63 -4.069 5.956 7.087 1.00 0.00 C ATOM 968 CG2 ILE A 63 -6.376 5.120 7.736 1.00 0.00 C ATOM 969 CD1 ILE A 63 -2.725 5.506 6.512 1.00 0.00 C ATOM 0 H ILE A 63 -6.074 2.982 8.875 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.488 3.503 8.471 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.860 4.015 6.737 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.618 6.524 6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.902 6.624 7.932 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.767 5.566 6.821 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.945 4.221 7.974 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.466 5.834 8.555 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.152 6.379 6.200 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.168 4.960 7.273 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.896 4.858 5.652 1.00 0.00 H new ATOM 981 N ASP A 64 -2.569 4.827 10.304 1.00 0.00 N ATOM 982 CA ASP A 64 -1.906 5.703 11.255 1.00 0.00 C ATOM 983 C ASP A 64 -0.697 4.981 11.852 1.00 0.00 C ATOM 984 O ASP A 64 0.312 5.608 12.168 1.00 0.00 O ATOM 985 CB ASP A 64 -2.846 6.081 12.403 1.00 0.00 C ATOM 986 CG ASP A 64 -2.171 6.767 13.592 1.00 0.00 C ATOM 987 OD1 ASP A 64 -0.993 7.153 13.431 1.00 0.00 O ATOM 988 OD2 ASP A 64 -2.848 6.889 14.636 1.00 0.00 O ATOM 0 H ASP A 64 -2.056 3.975 10.080 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.601 6.606 10.726 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.622 6.741 12.015 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.343 5.178 12.758 1.00 0.00 H new ATOM 993 N THR A 65 -0.840 3.670 11.989 1.00 0.00 N ATOM 994 CA THR A 65 0.228 2.855 12.542 1.00 0.00 C ATOM 995 C THR A 65 0.220 1.463 11.908 1.00 0.00 C ATOM 996 O THR A 65 1.268 0.946 11.522 1.00 0.00 O ATOM 997 CB THR A 65 0.065 2.830 14.064 1.00 0.00 C ATOM 998 OG1 THR A 65 1.071 1.924 14.506 1.00 0.00 O ATOM 999 CG2 THR A 65 -1.247 2.175 14.501 1.00 0.00 C ATOM 0 H THR A 65 -1.679 3.153 11.727 1.00 0.00 H new ATOM 0 HA THR A 65 1.206 3.277 12.312 1.00 0.00 H new ATOM 0 HB THR A 65 0.108 3.848 14.451 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.038 1.849 15.483 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.313 2.183 15.589 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.087 2.729 14.082 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.277 1.146 14.143 1.00 0.00 H new ATOM 1007 N LEU A 66 -0.974 0.895 11.820 1.00 0.00 N ATOM 1008 CA LEU A 66 -1.132 -0.428 11.239 1.00 0.00 C ATOM 1009 C LEU A 66 -0.517 -1.468 12.176 1.00 0.00 C ATOM 1010 O LEU A 66 0.702 -1.625 12.220 1.00 0.00 O ATOM 1011 CB LEU A 66 -0.560 -0.462 9.821 1.00 0.00 C ATOM 1012 CG LEU A 66 0.159 -1.751 9.418 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -0.061 -2.063 7.937 1.00 0.00 C ATOM 1014 CD2 LEU A 66 1.645 -1.684 9.776 1.00 0.00 C ATOM 0 H LEU A 66 -1.841 1.326 12.141 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.188 -0.676 11.137 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.375 -0.289 9.118 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.137 0.369 9.712 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.273 -2.575 9.987 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.461 -2.984 7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.127 -2.184 7.745 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.326 -1.244 7.331 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.133 -2.612 9.479 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.108 -0.847 9.253 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.754 -1.545 10.852 1.00 0.00 H new ATOM 1026 N PRO A 67 -1.411 -2.171 12.922 1.00 0.00 N ATOM 1027 CA PRO A 67 -0.969 -3.194 13.854 1.00 0.00 C ATOM 1028 C PRO A 67 -0.535 -4.462 13.115 1.00 0.00 C ATOM 1029 O PRO A 67 -1.107 -5.531 13.322 1.00 0.00 O ATOM 1030 CB PRO A 67 -2.153 -3.421 14.779 1.00 0.00 C ATOM 1031 CG PRO A 67 -3.364 -2.863 14.050 1.00 0.00 C ATOM 1032 CD PRO A 67 -2.862 -2.013 12.894 1.00 0.00 C ATOM 0 HA PRO A 67 -0.089 -2.893 14.422 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.282 -4.481 14.995 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.005 -2.916 15.734 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.995 -3.673 13.683 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.975 -2.265 14.726 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.279 -2.349 11.945 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.149 -0.969 13.016 1.00 0.00 H new ATOM 1040 N TYR A 68 0.471 -4.299 12.268 1.00 0.00 N ATOM 1041 CA TYR A 68 0.987 -5.417 11.497 1.00 0.00 C ATOM 1042 C TYR A 68 0.903 -6.720 12.296 1.00 0.00 C ATOM 1043 O TYR A 68 0.444 -7.738 11.783 1.00 0.00 O ATOM 1044 CB TYR A 68 2.458 -5.096 11.220 1.00 0.00 C ATOM 1045 CG TYR A 68 3.252 -4.698 12.466 1.00 0.00 C ATOM 1046 CD1 TYR A 68 3.253 -3.387 12.894 1.00 0.00 C ATOM 1047 CD2 TYR A 68 3.969 -5.652 13.161 1.00 0.00 C ATOM 1048 CE1 TYR A 68 4.001 -3.012 14.067 1.00 0.00 C ATOM 1049 CE2 TYR A 68 4.716 -5.278 14.333 1.00 0.00 C ATOM 1050 CZ TYR A 68 4.696 -3.977 14.728 1.00 0.00 C ATOM 1051 OH TYR A 68 5.402 -3.623 15.835 1.00 0.00 O ATOM 0 H TYR A 68 0.942 -3.410 12.099 1.00 0.00 H new ATOM 0 HA TYR A 68 0.409 -5.551 10.583 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.930 -5.966 10.763 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.512 -4.286 10.493 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.693 -2.641 12.350 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.969 -6.678 12.825 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.010 -1.989 14.413 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.280 -6.014 14.886 1.00 0.00 H new ATOM 0 HH TYR A 68 5.848 -4.413 16.205 1.00 0.00 H new ATOM 1061 N LYS A 69 1.356 -6.644 13.539 1.00 0.00 N ATOM 1062 CA LYS A 69 1.338 -7.804 14.413 1.00 0.00 C ATOM 1063 C LYS A 69 -0.022 -8.495 14.308 1.00 0.00 C ATOM 1064 O LYS A 69 -1.024 -7.982 14.807 1.00 0.00 O ATOM 1065 CB LYS A 69 1.717 -7.403 15.841 1.00 0.00 C ATOM 1066 CG LYS A 69 2.230 -8.610 16.631 1.00 0.00 C ATOM 1067 CD LYS A 69 1.729 -8.573 18.076 1.00 0.00 C ATOM 1068 CE LYS A 69 2.652 -7.725 18.955 1.00 0.00 C ATOM 1069 NZ LYS A 69 3.368 -8.580 19.928 1.00 0.00 N ATOM 0 H LYS A 69 1.737 -5.797 13.961 1.00 0.00 H new ATOM 0 HA LYS A 69 2.089 -8.530 14.100 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.484 -6.629 15.814 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.850 -6.976 16.345 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.899 -9.531 16.151 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.320 -8.619 16.620 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.719 -8.165 18.104 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.675 -9.587 18.472 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.370 -7.193 18.331 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.069 -6.971 19.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.990 -7.990 20.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.678 -9.068 20.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.939 -9.283 19.418 1.00 0.00 H new ATOM 1083 N ASN A 70 -0.015 -9.650 13.657 1.00 0.00 N ATOM 1084 CA ASN A 70 -1.236 -10.417 13.481 1.00 0.00 C ATOM 1085 C ASN A 70 -0.930 -11.904 13.670 1.00 0.00 C ATOM 1086 O ASN A 70 0.220 -12.323 13.560 1.00 0.00 O ATOM 1087 CB ASN A 70 -1.808 -10.226 12.075 1.00 0.00 C ATOM 1088 CG ASN A 70 -0.844 -10.759 11.014 1.00 0.00 C ATOM 1089 OD1 ASN A 70 0.365 -10.628 11.114 1.00 0.00 O ATOM 1090 ND2 ASN A 70 -1.443 -11.368 9.995 1.00 0.00 N ATOM 0 H ASN A 70 0.817 -10.072 13.245 1.00 0.00 H new ATOM 0 HA ASN A 70 -1.962 -10.069 14.216 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.765 -10.742 11.994 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.001 -9.168 11.898 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.886 -11.760 9.236 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.460 -11.444 9.973 1.00 0.00 H new ATOM 1097 N GLY A 71 -1.981 -12.661 13.950 1.00 0.00 N ATOM 1098 CA GLY A 71 -1.840 -14.092 14.155 1.00 0.00 C ATOM 1099 C GLY A 71 -2.583 -14.877 13.072 1.00 0.00 C ATOM 1100 O GLY A 71 -3.781 -14.682 12.871 1.00 0.00 O ATOM 0 H GLY A 71 -2.934 -12.309 14.040 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.784 -14.362 14.145 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.229 -14.362 15.137 1.00 0.00 H new TER 1104 GLY A 71 HETATM 1105 CA CA A 72 -3.039 6.245 -1.899 1.00 0.00 CA HETATM 1106 CA CA A 73 4.293 -6.407 0.228 1.00 0.00 CA