USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 HIS : no HD1:sc= -2.71 K(o=-6.8,f=-21!) USER MOD Set 1.2: A 49 SER OG : rot -60:sc= -1.7 USER MOD Set 1.3: A 86 SER OG : rot -143:sc= 0.354 USER MOD Set 1.4: A 91 HIS : no HE2:sc= -2.73! C(o=-6.8!,f=-30!) USER MOD Set 2.1: A 27 GLN : amide:sc= -2.03! C(o=-0.77!,f=-22!) USER MOD Set 2.2: A 31 LYS NZ :NH3+ -154:sc= 1.26! (180deg=-1.35) USER MOD Set 3.1: A 20 GLN : amide:sc= -0.421! C(o=1.3!,f=-0.11!) USER MOD Set 3.2: A 85 LYS NZ :NH3+ -179:sc= -0.116! (180deg=-0.707) USER MOD Set 3.3: A 90 TYR OH : rot -56:sc= 1.82 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -138:sc= -4.34! (180deg=-6.97!) USER MOD Single : A 12 CYS SG : rot -99:sc= -5.55! USER MOD Single : A 13 SER OG : rot 180:sc= -0.0653 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= -0.0338 (180deg=-0.368) USER MOD Single : A 35 LYS NZ :NH3+ -138:sc= 0.797 (180deg=-1.87!) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= 0.501 (180deg=-0.286) USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= 1.09 (180deg=0.137!) USER MOD Single : A 44 SER OG : rot 77:sc= -5.28! USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= -0.192 (180deg=-1.05) USER MOD Single : A 55 SER OG : rot 105:sc= 0.595 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= -0.0927 (180deg=-0.784) USER MOD Single : A 64 MET CE :methyl -137:sc= -7.66! (180deg=-14.9!) USER MOD Single : A 66 LYS NZ :NH3+ -154:sc= -1.28 (180deg=-3.37!) USER MOD Single : A 76 GLN : amide:sc= 0.704 K(o=0.7,f=-0.7) USER MOD Single : A 81 SER OG : rot 140:sc= -3.37! USER MOD Single : A 94 LYS NZ :NH3+ 157:sc= 0.446! (180deg=-0.00814!) USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 9 -12.232 8.885 -0.211 1.00 0.00 N ATOM 97 CA LYS A 9 -11.176 8.243 0.517 1.00 0.00 C ATOM 98 C LYS A 9 -10.743 7.045 -0.283 1.00 0.00 C ATOM 99 O LYS A 9 -11.538 6.487 -1.044 1.00 0.00 O ATOM 100 CB LYS A 9 -11.718 7.766 1.862 1.00 0.00 C ATOM 101 CG LYS A 9 -12.093 8.976 2.712 1.00 0.00 C ATOM 102 CD LYS A 9 -12.712 8.508 4.028 1.00 0.00 C ATOM 103 CE LYS A 9 -13.123 9.732 4.839 1.00 0.00 C ATOM 104 NZ LYS A 9 -13.858 9.320 6.060 1.00 0.00 N ATOM 0 HA LYS A 9 -10.344 8.928 0.681 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.590 7.129 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.969 7.164 2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.209 9.582 2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.798 9.608 2.172 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.578 7.875 3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.997 7.906 4.589 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.239 10.307 5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.750 10.385 4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.131 10.164 6.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.711 8.791 5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.247 8.715 6.646 1.00 0.00 H new ATOM 118 N ILE A 10 -9.538 6.600 -0.073 1.00 0.00 N ATOM 119 CA ILE A 10 -9.055 5.432 -0.757 1.00 0.00 C ATOM 120 C ILE A 10 -9.056 4.291 0.228 1.00 0.00 C ATOM 121 O ILE A 10 -8.463 4.398 1.303 1.00 0.00 O ATOM 122 CB ILE A 10 -7.611 5.654 -1.229 1.00 0.00 C ATOM 123 CG1 ILE A 10 -7.521 6.902 -2.101 1.00 0.00 C ATOM 124 CG2 ILE A 10 -7.135 4.442 -2.047 1.00 0.00 C ATOM 125 CD1 ILE A 10 -6.056 7.235 -2.376 1.00 0.00 C ATOM 0 H ILE A 10 -8.869 7.028 0.567 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.688 5.222 -1.619 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.979 5.780 -0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.049 6.739 -3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.007 7.741 -1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.110 4.607 -2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.177 3.546 -1.428 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.781 4.313 -2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.996 8.127 -2.999 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.541 7.416 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.584 6.399 -2.893 1.00 0.00 H new ATOM 137 N LYS A 11 -9.697 3.200 -0.133 1.00 0.00 N ATOM 138 CA LYS A 11 -9.674 2.021 0.698 1.00 0.00 C ATOM 139 C LYS A 11 -8.567 1.140 0.187 1.00 0.00 C ATOM 140 O LYS A 11 -8.674 0.602 -0.913 1.00 0.00 O ATOM 141 CB LYS A 11 -11.007 1.283 0.600 1.00 0.00 C ATOM 142 CG LYS A 11 -12.127 2.173 1.153 1.00 0.00 C ATOM 143 CD LYS A 11 -13.485 1.519 0.888 1.00 0.00 C ATOM 144 CE LYS A 11 -13.512 0.120 1.514 1.00 0.00 C ATOM 145 NZ LYS A 11 -13.049 -0.860 0.511 1.00 0.00 N ATOM 0 H LYS A 11 -10.238 3.107 -0.993 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.511 2.289 1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.215 1.022 -0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.960 0.349 1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.989 2.325 2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.088 3.156 0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.283 2.132 1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.665 1.452 -0.185 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.872 0.089 2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.521 -0.126 1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.649 -1.708 0.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.108 -0.439 -0.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.063 -1.123 0.712 1.00 0.00 H new ATOM 159 N CYS A 12 -7.452 1.103 0.898 1.00 0.00 N ATOM 160 CA CYS A 12 -6.272 0.421 0.386 1.00 0.00 C ATOM 161 C CYS A 12 -5.468 -0.268 1.461 1.00 0.00 C ATOM 162 O CYS A 12 -5.677 -0.052 2.663 1.00 0.00 O ATOM 163 CB CYS A 12 -5.386 1.408 -0.407 1.00 0.00 C ATOM 164 SG CYS A 12 -3.772 1.604 0.398 1.00 0.00 S ATOM 0 H CYS A 12 -7.338 1.530 1.817 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.629 -0.365 -0.280 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.249 1.045 -1.425 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.883 2.375 -0.478 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.770 2.694 1.106 1.00 0.00 H new ATOM 170 N SER A 13 -4.493 -1.031 1.008 1.00 0.00 N ATOM 171 CA SER A 13 -3.540 -1.680 1.867 1.00 0.00 C ATOM 172 C SER A 13 -2.142 -1.408 1.323 1.00 0.00 C ATOM 173 O SER A 13 -1.959 -1.338 0.097 1.00 0.00 O ATOM 174 CB SER A 13 -3.802 -3.187 1.897 1.00 0.00 C ATOM 175 OG SER A 13 -5.207 -3.431 2.016 1.00 0.00 O ATOM 0 H SER A 13 -4.344 -1.216 0.016 1.00 0.00 H new ATOM 0 HA SER A 13 -3.630 -1.294 2.882 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.419 -3.650 0.988 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.272 -3.641 2.734 1.00 0.00 H new ATOM 0 HG SER A 13 -5.371 -4.397 2.033 1.00 0.00 H new ATOM 181 N HIS A 14 -1.151 -1.277 2.205 1.00 0.00 N ATOM 182 CA HIS A 14 0.211 -1.034 1.741 1.00 0.00 C ATOM 183 C HIS A 14 1.251 -1.797 2.533 1.00 0.00 C ATOM 184 O HIS A 14 1.080 -2.067 3.730 1.00 0.00 O ATOM 185 CB HIS A 14 0.550 0.474 1.673 1.00 0.00 C ATOM 186 CG HIS A 14 1.208 0.963 2.947 1.00 0.00 C ATOM 187 ND1 HIS A 14 2.294 1.834 2.928 1.00 0.00 N ATOM 188 CD2 HIS A 14 0.940 0.728 4.274 1.00 0.00 C ATOM 189 CE1 HIS A 14 2.638 2.079 4.209 1.00 0.00 C ATOM 190 NE2 HIS A 14 1.843 1.430 5.069 1.00 0.00 N ATOM 0 H HIS A 14 -1.261 -1.333 3.217 1.00 0.00 H new ATOM 0 HA HIS A 14 0.246 -1.422 0.723 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.213 0.659 0.828 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.362 1.043 1.494 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.148 0.094 4.645 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.455 2.720 4.505 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.889 1.446 6.088 1.00 0.00 H new ATOM 198 N ILE A 15 2.336 -2.106 1.858 1.00 0.00 N ATOM 199 CA ILE A 15 3.482 -2.772 2.443 1.00 0.00 C ATOM 200 C ILE A 15 4.697 -1.890 2.244 1.00 0.00 C ATOM 201 O ILE A 15 4.995 -1.497 1.119 1.00 0.00 O ATOM 202 CB ILE A 15 3.688 -4.126 1.740 1.00 0.00 C ATOM 203 CG1 ILE A 15 2.487 -5.028 2.008 1.00 0.00 C ATOM 204 CG2 ILE A 15 4.954 -4.820 2.259 1.00 0.00 C ATOM 205 CD1 ILE A 15 2.429 -6.128 0.955 1.00 0.00 C ATOM 0 H ILE A 15 2.450 -1.897 0.866 1.00 0.00 H new ATOM 0 HA ILE A 15 3.326 -2.946 3.508 1.00 0.00 H new ATOM 0 HB ILE A 15 3.794 -3.945 0.670 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.564 -5.467 3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.568 -4.442 1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.081 -5.775 1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.821 -4.188 2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.862 -4.991 3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.571 -6.771 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.332 -5.680 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.343 -6.720 0.997 1.00 0.00 H new ATOM 217 N LEU A 16 5.400 -1.596 3.320 1.00 0.00 N ATOM 218 CA LEU A 16 6.603 -0.775 3.242 1.00 0.00 C ATOM 219 C LEU A 16 7.808 -1.678 3.316 1.00 0.00 C ATOM 220 O LEU A 16 7.955 -2.422 4.273 1.00 0.00 O ATOM 221 CB LEU A 16 6.635 0.223 4.415 1.00 0.00 C ATOM 222 CG LEU A 16 7.844 1.177 4.287 1.00 0.00 C ATOM 223 CD1 LEU A 16 7.732 2.012 3.012 1.00 0.00 C ATOM 224 CD2 LEU A 16 7.889 2.113 5.500 1.00 0.00 C ATOM 0 H LEU A 16 5.163 -1.911 4.261 1.00 0.00 H new ATOM 0 HA LEU A 16 6.608 -0.218 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.710 0.800 4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.691 -0.319 5.359 1.00 0.00 H new ATOM 0 HG LEU A 16 8.756 0.581 4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.591 2.679 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.708 1.351 2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.816 2.602 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.742 2.786 5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.970 2.697 5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.988 1.523 6.411 1.00 0.00 H new ATOM 236 N VAL A 17 8.657 -1.625 2.317 1.00 0.00 N ATOM 237 CA VAL A 17 9.826 -2.475 2.270 1.00 0.00 C ATOM 238 C VAL A 17 11.074 -1.670 1.974 1.00 0.00 C ATOM 239 O VAL A 17 11.012 -0.562 1.430 1.00 0.00 O ATOM 240 CB VAL A 17 9.644 -3.581 1.233 1.00 0.00 C ATOM 241 CG1 VAL A 17 8.451 -4.462 1.615 1.00 0.00 C ATOM 242 CG2 VAL A 17 9.402 -2.959 -0.141 1.00 0.00 C ATOM 0 H VAL A 17 8.560 -0.997 1.519 1.00 0.00 H new ATOM 0 HA VAL A 17 9.946 -2.935 3.251 1.00 0.00 H new ATOM 0 HB VAL A 17 10.545 -4.194 1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.327 -5.249 0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.629 -4.911 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.547 -3.854 1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.272 -3.749 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.504 -2.342 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.257 -2.341 -0.416 1.00 0.00 H new ATOM 252 N LYS A 18 12.186 -2.204 2.400 1.00 0.00 N ATOM 253 CA LYS A 18 13.466 -1.554 2.259 1.00 0.00 C ATOM 254 C LYS A 18 13.880 -1.435 0.796 1.00 0.00 C ATOM 255 O LYS A 18 14.509 -0.450 0.396 1.00 0.00 O ATOM 256 CB LYS A 18 14.507 -2.353 3.029 1.00 0.00 C ATOM 257 CG LYS A 18 14.160 -2.313 4.522 1.00 0.00 C ATOM 258 CD LYS A 18 15.108 -3.228 5.304 1.00 0.00 C ATOM 259 CE LYS A 18 16.433 -2.511 5.568 1.00 0.00 C ATOM 260 NZ LYS A 18 16.707 -2.506 7.026 1.00 0.00 N ATOM 0 H LYS A 18 12.232 -3.113 2.860 1.00 0.00 H new ATOM 0 HA LYS A 18 13.389 -0.543 2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.529 -3.384 2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.501 -1.937 2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.237 -1.292 4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.128 -2.630 4.673 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.648 -3.518 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.287 -4.144 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.242 -3.011 5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.388 -1.489 5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.608 -2.019 7.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.939 -2.010 7.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.767 -3.485 7.371 1.00 0.00 H new ATOM 274 N LYS A 19 13.648 -2.494 0.040 1.00 0.00 N ATOM 275 CA LYS A 19 14.141 -2.569 -1.331 1.00 0.00 C ATOM 276 C LYS A 19 13.021 -2.696 -2.342 1.00 0.00 C ATOM 277 O LYS A 19 11.996 -3.336 -2.083 1.00 0.00 O ATOM 278 CB LYS A 19 15.101 -3.753 -1.480 1.00 0.00 C ATOM 279 CG LYS A 19 16.354 -3.512 -0.631 1.00 0.00 C ATOM 280 CD LYS A 19 17.276 -4.740 -0.709 1.00 0.00 C ATOM 281 CE LYS A 19 18.131 -4.683 -1.985 1.00 0.00 C ATOM 282 NZ LYS A 19 19.160 -3.620 -1.849 1.00 0.00 N ATOM 0 H LYS A 19 13.124 -3.313 0.348 1.00 0.00 H new ATOM 0 HA LYS A 19 14.664 -1.634 -1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.609 -4.674 -1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 19 15.378 -3.880 -2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 19 16.881 -2.626 -0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 19 16.072 -3.322 0.405 1.00 0.00 H new ATOM 0 HD2 LYS A 19 17.922 -4.775 0.169 1.00 0.00 H new ATOM 0 HD3 LYS A 19 16.680 -5.652 -0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.610 -5.647 -2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 19 17.499 -4.482 -2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.953 -3.821 -2.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 18.742 -2.699 -2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 19.506 -3.595 -0.868 1.00 0.00 H new ATOM 296 N GLN A 20 13.280 -2.199 -3.541 1.00 0.00 N ATOM 297 CA GLN A 20 12.352 -2.345 -4.646 1.00 0.00 C ATOM 298 C GLN A 20 12.159 -3.822 -4.929 1.00 0.00 C ATOM 299 O GLN A 20 11.051 -4.275 -5.195 1.00 0.00 O ATOM 300 CB GLN A 20 12.904 -1.643 -5.893 1.00 0.00 C ATOM 301 CG GLN A 20 12.902 -0.129 -5.660 1.00 0.00 C ATOM 302 CD GLN A 20 13.546 0.604 -6.835 1.00 0.00 C ATOM 303 OE1 GLN A 20 13.604 1.838 -6.836 1.00 0.00 O ATOM 304 NE2 GLN A 20 14.034 -0.063 -7.831 1.00 0.00 N ATOM 0 H GLN A 20 14.132 -1.688 -3.772 1.00 0.00 H new ATOM 0 HA GLN A 20 11.397 -1.890 -4.386 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.916 -1.990 -6.102 1.00 0.00 H new ATOM 0 HB3 GLN A 20 12.296 -1.890 -6.763 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.879 0.221 -5.525 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.442 0.102 -4.742 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.988 -1.082 -7.834 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.465 0.430 -8.613 1.00 0.00 H new ATOM 313 N GLY A 21 13.237 -4.573 -4.797 1.00 0.00 N ATOM 314 CA GLY A 21 13.199 -6.010 -4.978 1.00 0.00 C ATOM 315 C GLY A 21 12.270 -6.646 -3.970 1.00 0.00 C ATOM 316 O GLY A 21 11.484 -7.524 -4.314 1.00 0.00 O ATOM 0 H GLY A 21 14.159 -4.205 -4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 21 12.866 -6.246 -5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.202 -6.423 -4.868 1.00 0.00 H new ATOM 320 N GLU A 22 12.302 -6.152 -2.737 1.00 0.00 N ATOM 321 CA GLU A 22 11.405 -6.661 -1.713 1.00 0.00 C ATOM 322 C GLU A 22 9.974 -6.356 -2.114 1.00 0.00 C ATOM 323 O GLU A 22 9.103 -7.227 -2.089 1.00 0.00 O ATOM 324 CB GLU A 22 11.699 -5.983 -0.366 1.00 0.00 C ATOM 325 CG GLU A 22 13.075 -6.411 0.170 1.00 0.00 C ATOM 326 CD GLU A 22 13.432 -5.640 1.441 1.00 0.00 C ATOM 327 OE1 GLU A 22 12.562 -5.009 2.009 1.00 0.00 O ATOM 328 OE2 GLU A 22 14.569 -5.713 1.846 1.00 0.00 O ATOM 0 H GLU A 22 12.931 -5.411 -2.428 1.00 0.00 H new ATOM 0 HA GLU A 22 11.551 -7.737 -1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.670 -4.900 -0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.925 -6.245 0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.071 -7.481 0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.836 -6.237 -0.591 1.00 0.00 H new ATOM 335 N ALA A 23 9.754 -5.121 -2.546 1.00 0.00 N ATOM 336 CA ALA A 23 8.431 -4.693 -2.979 1.00 0.00 C ATOM 337 C ALA A 23 7.955 -5.540 -4.143 1.00 0.00 C ATOM 338 O ALA A 23 6.849 -6.070 -4.131 1.00 0.00 O ATOM 339 CB ALA A 23 8.457 -3.215 -3.388 1.00 0.00 C ATOM 0 H ALA A 23 10.473 -4.400 -2.606 1.00 0.00 H new ATOM 0 HA ALA A 23 7.740 -4.819 -2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.461 -2.909 -3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.767 -2.608 -2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.161 -3.077 -4.208 1.00 0.00 H new ATOM 345 N LEU A 24 8.804 -5.684 -5.132 1.00 0.00 N ATOM 346 CA LEU A 24 8.476 -6.480 -6.295 1.00 0.00 C ATOM 347 C LEU A 24 8.278 -7.932 -5.914 1.00 0.00 C ATOM 348 O LEU A 24 7.364 -8.592 -6.407 1.00 0.00 O ATOM 349 CB LEU A 24 9.563 -6.356 -7.360 1.00 0.00 C ATOM 350 CG LEU A 24 9.563 -4.933 -7.932 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.755 -4.770 -8.855 1.00 0.00 C ATOM 352 CD2 LEU A 24 8.280 -4.694 -8.734 1.00 0.00 C ATOM 0 H LEU A 24 9.731 -5.259 -5.156 1.00 0.00 H new ATOM 0 HA LEU A 24 7.542 -6.101 -6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.537 -6.585 -6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.390 -7.079 -8.157 1.00 0.00 H new ATOM 0 HG LEU A 24 9.619 -4.216 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.762 -3.760 -9.266 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.675 -4.940 -8.295 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.687 -5.492 -9.669 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.286 -3.681 -9.137 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.224 -5.411 -9.553 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.415 -4.820 -8.083 1.00 0.00 H new ATOM 364 N ALA A 25 9.134 -8.429 -5.031 1.00 0.00 N ATOM 365 CA ALA A 25 9.044 -9.817 -4.607 1.00 0.00 C ATOM 366 C ALA A 25 7.669 -10.095 -4.047 1.00 0.00 C ATOM 367 O ALA A 25 6.987 -11.034 -4.482 1.00 0.00 O ATOM 368 CB ALA A 25 10.109 -10.137 -3.552 1.00 0.00 C ATOM 0 H ALA A 25 9.890 -7.898 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 25 9.218 -10.453 -5.475 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.021 -11.181 -3.251 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.100 -9.962 -3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.964 -9.495 -2.683 1.00 0.00 H new ATOM 374 N VAL A 26 7.218 -9.236 -3.143 1.00 0.00 N ATOM 375 CA VAL A 26 5.890 -9.383 -2.598 1.00 0.00 C ATOM 376 C VAL A 26 4.849 -9.102 -3.661 1.00 0.00 C ATOM 377 O VAL A 26 3.856 -9.807 -3.766 1.00 0.00 O ATOM 378 CB VAL A 26 5.685 -8.502 -1.354 1.00 0.00 C ATOM 379 CG1 VAL A 26 6.825 -8.750 -0.367 1.00 0.00 C ATOM 380 CG2 VAL A 26 5.656 -7.019 -1.727 1.00 0.00 C ATOM 0 H VAL A 26 7.748 -8.444 -2.781 1.00 0.00 H new ATOM 0 HA VAL A 26 5.770 -10.416 -2.273 1.00 0.00 H new ATOM 0 HB VAL A 26 4.728 -8.763 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.683 -8.127 0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.831 -9.800 -0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.775 -8.500 -0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.510 -6.420 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.600 -6.743 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.837 -6.835 -2.423 1.00 0.00 H new ATOM 390 N GLN A 27 5.098 -8.085 -4.476 1.00 0.00 N ATOM 391 CA GLN A 27 4.156 -7.729 -5.517 1.00 0.00 C ATOM 392 C GLN A 27 3.888 -8.925 -6.407 1.00 0.00 C ATOM 393 O GLN A 27 2.745 -9.183 -6.799 1.00 0.00 O ATOM 394 CB GLN A 27 4.679 -6.557 -6.353 1.00 0.00 C ATOM 395 CG GLN A 27 3.507 -5.643 -6.703 1.00 0.00 C ATOM 396 CD GLN A 27 3.535 -5.277 -8.169 1.00 0.00 C ATOM 397 OE1 GLN A 27 3.532 -6.170 -9.025 1.00 0.00 O ATOM 398 NE2 GLN A 27 3.556 -4.038 -8.515 1.00 0.00 N ATOM 0 H GLN A 27 5.934 -7.502 -4.434 1.00 0.00 H new ATOM 0 HA GLN A 27 3.224 -7.420 -5.043 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.436 -6.004 -5.797 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.156 -6.924 -7.262 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.567 -6.141 -6.465 1.00 0.00 H new ATOM 0 HG3 GLN A 27 3.551 -4.739 -6.096 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.558 -3.309 -7.801 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.570 -3.785 -9.503 1.00 0.00 H new ATOM 407 N GLU A 28 4.940 -9.634 -6.741 1.00 0.00 N ATOM 408 CA GLU A 28 4.830 -10.838 -7.531 1.00 0.00 C ATOM 409 C GLU A 28 4.211 -11.957 -6.701 1.00 0.00 C ATOM 410 O GLU A 28 3.413 -12.753 -7.198 1.00 0.00 O ATOM 411 CB GLU A 28 6.198 -11.225 -8.098 1.00 0.00 C ATOM 412 CG GLU A 28 6.621 -10.115 -9.073 1.00 0.00 C ATOM 413 CD GLU A 28 5.638 -10.046 -10.223 1.00 0.00 C ATOM 414 OE1 GLU A 28 5.620 -10.961 -11.008 1.00 0.00 O ATOM 415 OE2 GLU A 28 4.922 -9.068 -10.310 1.00 0.00 O ATOM 0 H GLU A 28 5.895 -9.394 -6.474 1.00 0.00 H new ATOM 0 HA GLU A 28 4.168 -10.658 -8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.929 -11.332 -7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.144 -12.186 -8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.658 -9.157 -8.555 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.624 -10.312 -9.451 1.00 0.00 H new ATOM 422 N ARG A 29 4.537 -11.964 -5.419 1.00 0.00 N ATOM 423 CA ARG A 29 3.981 -12.926 -4.476 1.00 0.00 C ATOM 424 C ARG A 29 2.460 -12.759 -4.380 1.00 0.00 C ATOM 425 O ARG A 29 1.717 -13.738 -4.337 1.00 0.00 O ATOM 426 CB ARG A 29 4.644 -12.770 -3.104 1.00 0.00 C ATOM 427 CG ARG A 29 4.342 -13.999 -2.238 1.00 0.00 C ATOM 428 CD ARG A 29 5.579 -14.334 -1.407 1.00 0.00 C ATOM 429 NE ARG A 29 6.663 -14.706 -2.311 1.00 0.00 N ATOM 430 CZ ARG A 29 7.907 -14.909 -1.899 1.00 0.00 C ATOM 431 NH1 ARG A 29 8.206 -14.781 -0.642 1.00 0.00 N ATOM 432 NH2 ARG A 29 8.829 -15.217 -2.765 1.00 0.00 N ATOM 0 H ARG A 29 5.194 -11.305 -5.001 1.00 0.00 H new ATOM 0 HA ARG A 29 4.187 -13.934 -4.836 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.721 -12.653 -3.222 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.277 -11.869 -2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.492 -13.801 -1.585 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.070 -14.846 -2.868 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.870 -13.477 -0.800 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.363 -15.152 -0.720 1.00 0.00 H new ATOM 0 HE ARG A 29 6.454 -14.815 -3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.483 -14.524 0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.163 -14.938 -0.327 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.593 -15.301 -3.754 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.788 -15.374 -2.455 1.00 0.00 H new ATOM 446 N LEU A 30 2.008 -11.516 -4.439 1.00 0.00 N ATOM 447 CA LEU A 30 0.585 -11.217 -4.427 1.00 0.00 C ATOM 448 C LEU A 30 -0.084 -11.860 -5.616 1.00 0.00 C ATOM 449 O LEU A 30 -1.219 -12.336 -5.526 1.00 0.00 O ATOM 450 CB LEU A 30 0.334 -9.693 -4.450 1.00 0.00 C ATOM 451 CG LEU A 30 0.243 -9.120 -3.022 1.00 0.00 C ATOM 452 CD1 LEU A 30 -0.967 -9.723 -2.308 1.00 0.00 C ATOM 453 CD2 LEU A 30 1.508 -9.426 -2.223 1.00 0.00 C ATOM 0 H LEU A 30 2.610 -10.694 -4.496 1.00 0.00 H new ATOM 0 HA LEU A 30 0.162 -11.619 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.139 -9.198 -4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.590 -9.482 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 30 0.136 -8.038 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.032 -9.318 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.875 -9.475 -2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.858 -10.806 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.415 -9.009 -1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.644 -10.505 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.370 -8.982 -2.721 1.00 0.00 H new ATOM 465 N LYS A 31 0.624 -11.882 -6.728 1.00 0.00 N ATOM 466 CA LYS A 31 0.084 -12.444 -7.954 1.00 0.00 C ATOM 467 C LYS A 31 -0.249 -13.904 -7.688 1.00 0.00 C ATOM 468 O LYS A 31 -1.257 -14.426 -8.166 1.00 0.00 O ATOM 469 CB LYS A 31 1.127 -12.387 -9.081 1.00 0.00 C ATOM 470 CG LYS A 31 1.773 -10.995 -9.168 1.00 0.00 C ATOM 471 CD LYS A 31 0.732 -9.900 -9.377 1.00 0.00 C ATOM 472 CE LYS A 31 1.433 -8.637 -9.913 1.00 0.00 C ATOM 473 NZ LYS A 31 2.730 -8.441 -9.193 1.00 0.00 N ATOM 0 H LYS A 31 1.573 -11.518 -6.810 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.796 -11.877 -8.256 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.897 -13.138 -8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.653 -12.631 -10.032 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.332 -10.796 -8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.489 -10.977 -9.989 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.030 -10.235 -10.081 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.224 -9.679 -8.438 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.611 -8.734 -10.984 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.793 -7.766 -9.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.985 -7.433 -9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.633 -8.762 -8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.476 -8.992 -9.665 1.00 0.00 H new ATOM 487 N ALA A 32 0.597 -14.545 -6.884 1.00 0.00 N ATOM 488 CA ALA A 32 0.410 -15.945 -6.506 1.00 0.00 C ATOM 489 C ALA A 32 -0.843 -16.116 -5.661 1.00 0.00 C ATOM 490 O ALA A 32 -1.267 -17.244 -5.391 1.00 0.00 O ATOM 491 CB ALA A 32 1.625 -16.459 -5.728 1.00 0.00 C ATOM 0 H ALA A 32 1.427 -14.112 -6.478 1.00 0.00 H new ATOM 0 HA ALA A 32 0.299 -16.525 -7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.468 -17.503 -5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.516 -16.377 -6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.757 -15.864 -4.824 1.00 0.00 H new ATOM 497 N GLY A 33 -1.423 -15.010 -5.229 1.00 0.00 N ATOM 498 CA GLY A 33 -2.624 -15.056 -4.407 1.00 0.00 C ATOM 499 C GLY A 33 -2.280 -15.104 -2.927 1.00 0.00 C ATOM 500 O GLY A 33 -3.156 -15.315 -2.087 1.00 0.00 O ATOM 0 H GLY A 33 -1.084 -14.070 -5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.240 -14.180 -4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.216 -15.932 -4.673 1.00 0.00 H new ATOM 504 N GLU A 34 -1.020 -14.859 -2.603 1.00 0.00 N ATOM 505 CA GLU A 34 -0.597 -14.809 -1.208 1.00 0.00 C ATOM 506 C GLU A 34 -1.326 -13.678 -0.504 1.00 0.00 C ATOM 507 O GLU A 34 -1.660 -12.668 -1.128 1.00 0.00 O ATOM 508 CB GLU A 34 0.917 -14.596 -1.121 1.00 0.00 C ATOM 509 CG GLU A 34 1.648 -15.890 -1.535 1.00 0.00 C ATOM 510 CD GLU A 34 2.028 -16.721 -0.319 1.00 0.00 C ATOM 511 OE1 GLU A 34 2.141 -16.170 0.754 1.00 0.00 O ATOM 512 OE2 GLU A 34 2.198 -17.904 -0.472 1.00 0.00 O ATOM 0 H GLU A 34 -0.275 -14.692 -3.280 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.840 -15.754 -0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.216 -13.774 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.197 -14.318 -0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.008 -16.477 -2.194 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.545 -15.639 -2.102 1.00 0.00 H new ATOM 519 N LYS A 35 -1.617 -13.855 0.771 1.00 0.00 N ATOM 520 CA LYS A 35 -2.361 -12.844 1.502 1.00 0.00 C ATOM 521 C LYS A 35 -1.551 -11.550 1.550 1.00 0.00 C ATOM 522 O LYS A 35 -0.408 -11.542 2.017 1.00 0.00 O ATOM 523 CB LYS A 35 -2.637 -13.322 2.936 1.00 0.00 C ATOM 524 CG LYS A 35 -3.535 -12.309 3.652 1.00 0.00 C ATOM 525 CD LYS A 35 -3.810 -12.759 5.089 1.00 0.00 C ATOM 526 CE LYS A 35 -4.726 -11.728 5.769 1.00 0.00 C ATOM 527 NZ LYS A 35 -4.642 -11.869 7.241 1.00 0.00 N ATOM 0 H LYS A 35 -1.355 -14.676 1.316 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.310 -12.668 0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.118 -14.300 2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.699 -13.438 3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.057 -11.329 3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.476 -12.202 3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.282 -13.742 5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.874 -12.853 5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.434 -10.720 5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.755 -11.871 5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.594 -11.788 7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.240 -12.798 7.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.033 -11.120 7.627 1.00 0.00 H new ATOM 541 N PHE A 36 -2.177 -10.444 1.166 1.00 0.00 N ATOM 542 CA PHE A 36 -1.517 -9.146 1.221 1.00 0.00 C ATOM 543 C PHE A 36 -1.089 -8.896 2.654 1.00 0.00 C ATOM 544 O PHE A 36 0.050 -8.530 2.930 1.00 0.00 O ATOM 545 CB PHE A 36 -2.486 -8.037 0.766 1.00 0.00 C ATOM 546 CG PHE A 36 -1.751 -6.720 0.638 1.00 0.00 C ATOM 547 CD1 PHE A 36 -1.157 -6.365 -0.582 1.00 0.00 C ATOM 548 CD2 PHE A 36 -1.661 -5.854 1.734 1.00 0.00 C ATOM 549 CE1 PHE A 36 -0.480 -5.152 -0.705 1.00 0.00 C ATOM 550 CE2 PHE A 36 -0.980 -4.638 1.608 1.00 0.00 C ATOM 551 CZ PHE A 36 -0.391 -4.289 0.388 1.00 0.00 C ATOM 0 H PHE A 36 -3.135 -10.420 0.815 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.652 -9.139 0.558 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.934 -8.306 -0.190 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.301 -7.939 1.484 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.224 -7.033 -1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.116 -6.124 2.675 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.025 -4.881 -1.646 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.909 -3.969 2.453 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.134 -3.350 0.292 1.00 0.00 H new ATOM 561 N GLY A 37 -1.999 -9.176 3.562 1.00 0.00 N ATOM 562 CA GLY A 37 -1.739 -9.039 4.981 1.00 0.00 C ATOM 563 C GLY A 37 -0.563 -9.888 5.422 1.00 0.00 C ATOM 564 O GLY A 37 0.285 -9.432 6.197 1.00 0.00 O ATOM 0 H GLY A 37 -2.939 -9.505 3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.540 -7.993 5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.627 -9.328 5.543 1.00 0.00 H new ATOM 568 N LYS A 38 -0.465 -11.092 4.876 1.00 0.00 N ATOM 569 CA LYS A 38 0.665 -11.954 5.182 1.00 0.00 C ATOM 570 C LYS A 38 1.943 -11.262 4.780 1.00 0.00 C ATOM 571 O LYS A 38 2.886 -11.166 5.566 1.00 0.00 O ATOM 572 CB LYS A 38 0.538 -13.299 4.448 1.00 0.00 C ATOM 573 CG LYS A 38 1.726 -14.198 4.793 1.00 0.00 C ATOM 574 CD LYS A 38 1.601 -15.528 4.047 1.00 0.00 C ATOM 575 CE LYS A 38 2.792 -16.432 4.389 1.00 0.00 C ATOM 576 NZ LYS A 38 3.063 -16.376 5.849 1.00 0.00 N ATOM 0 H LYS A 38 -1.145 -11.489 4.228 1.00 0.00 H new ATOM 0 HA LYS A 38 0.679 -12.153 6.254 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.394 -13.790 4.730 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.498 -13.133 3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.659 -13.704 4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.760 -14.375 5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.668 -16.022 4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.565 -15.350 2.972 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.580 -17.458 4.088 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.674 -16.113 3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.631 -17.201 6.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.585 -15.505 6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.163 -16.383 6.370 1.00 0.00 H new ATOM 590 N LEU A 39 1.935 -10.693 3.591 1.00 0.00 N ATOM 591 CA LEU A 39 3.074 -9.933 3.127 1.00 0.00 C ATOM 592 C LEU A 39 3.307 -8.747 4.052 1.00 0.00 C ATOM 593 O LEU A 39 4.455 -8.464 4.436 1.00 0.00 O ATOM 594 CB LEU A 39 2.858 -9.435 1.684 1.00 0.00 C ATOM 595 CG LEU A 39 3.193 -10.538 0.652 1.00 0.00 C ATOM 596 CD1 LEU A 39 4.625 -11.029 0.845 1.00 0.00 C ATOM 597 CD2 LEU A 39 2.224 -11.713 0.773 1.00 0.00 C ATOM 0 H LEU A 39 1.157 -10.743 2.934 1.00 0.00 H new ATOM 0 HA LEU A 39 3.948 -10.584 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.823 -9.118 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.483 -8.561 1.501 1.00 0.00 H new ATOM 0 HG LEU A 39 3.093 -10.107 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.846 -11.805 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.316 -10.197 0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.738 -11.437 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.481 -12.474 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.292 -12.139 1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.206 -11.365 0.595 1.00 0.00 H new ATOM 609 N ALA A 40 2.217 -8.081 4.454 1.00 0.00 N ATOM 610 CA ALA A 40 2.342 -6.938 5.332 1.00 0.00 C ATOM 611 C ALA A 40 3.070 -7.328 6.604 1.00 0.00 C ATOM 612 O ALA A 40 4.062 -6.701 6.976 1.00 0.00 O ATOM 613 CB ALA A 40 0.976 -6.352 5.666 1.00 0.00 C ATOM 0 H ALA A 40 1.262 -8.317 4.185 1.00 0.00 H new ATOM 0 HA ALA A 40 2.921 -6.175 4.812 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.100 -5.494 6.327 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.482 -6.034 4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.367 -7.108 6.162 1.00 0.00 H new ATOM 619 N LYS A 41 2.625 -8.406 7.224 1.00 0.00 N ATOM 620 CA LYS A 41 3.288 -8.927 8.414 1.00 0.00 C ATOM 621 C LYS A 41 4.700 -9.421 8.142 1.00 0.00 C ATOM 622 O LYS A 41 5.554 -9.379 9.040 1.00 0.00 O ATOM 623 CB LYS A 41 2.463 -10.028 9.085 1.00 0.00 C ATOM 624 CG LYS A 41 1.270 -9.414 9.822 1.00 0.00 C ATOM 625 CD LYS A 41 0.422 -10.531 10.450 1.00 0.00 C ATOM 626 CE LYS A 41 -0.547 -9.931 11.475 1.00 0.00 C ATOM 627 NZ LYS A 41 -1.019 -8.598 11.012 1.00 0.00 N ATOM 0 H LYS A 41 1.808 -8.940 6.927 1.00 0.00 H new ATOM 0 HA LYS A 41 3.368 -8.082 9.098 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.112 -10.738 8.336 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.086 -10.585 9.785 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.620 -8.731 10.596 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.664 -8.829 9.130 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.134 -11.058 9.675 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.069 -11.264 10.932 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.398 -10.598 11.617 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.053 -9.835 12.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.881 -8.335 11.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.280 -7.888 11.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.227 -8.638 9.994 1.00 0.00 H new ATOM 641 N GLU A 42 4.885 -10.086 7.019 1.00 0.00 N ATOM 642 CA GLU A 42 6.135 -10.786 6.775 1.00 0.00 C ATOM 643 C GLU A 42 7.332 -9.866 6.501 1.00 0.00 C ATOM 644 O GLU A 42 8.415 -10.105 7.049 1.00 0.00 O ATOM 645 CB GLU A 42 5.979 -11.846 5.672 1.00 0.00 C ATOM 646 CG GLU A 42 6.161 -13.251 6.268 1.00 0.00 C ATOM 647 CD GLU A 42 4.942 -13.651 7.075 1.00 0.00 C ATOM 648 OE1 GLU A 42 4.896 -13.337 8.243 1.00 0.00 O ATOM 649 OE2 GLU A 42 4.073 -14.280 6.524 1.00 0.00 O ATOM 0 H GLU A 42 4.198 -10.158 6.269 1.00 0.00 H new ATOM 0 HA GLU A 42 6.369 -11.291 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.995 -11.762 5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.715 -11.677 4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.327 -13.972 5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.047 -13.270 6.903 1.00 0.00 H new ATOM 656 N LEU A 43 7.191 -8.859 5.629 1.00 0.00 N ATOM 657 CA LEU A 43 8.376 -8.034 5.287 1.00 0.00 C ATOM 658 C LEU A 43 8.228 -6.536 5.526 1.00 0.00 C ATOM 659 O LEU A 43 9.220 -5.803 5.421 1.00 0.00 O ATOM 660 CB LEU A 43 8.922 -8.303 3.857 1.00 0.00 C ATOM 661 CG LEU A 43 7.802 -8.628 2.848 1.00 0.00 C ATOM 662 CD1 LEU A 43 7.220 -10.012 3.113 1.00 0.00 C ATOM 663 CD2 LEU A 43 6.700 -7.566 2.883 1.00 0.00 C ATOM 0 H LEU A 43 6.321 -8.598 5.164 1.00 0.00 H new ATOM 0 HA LEU A 43 9.115 -8.379 6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.475 -7.429 3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.628 -9.133 3.891 1.00 0.00 H new ATOM 0 HG LEU A 43 8.242 -8.624 1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.432 -10.220 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.006 -10.761 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.806 -10.046 4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.925 -7.822 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.266 -7.525 3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.123 -6.594 2.631 1.00 0.00 H new ATOM 675 N SER A 44 7.018 -6.049 5.754 1.00 0.00 N ATOM 676 CA SER A 44 6.847 -4.613 5.888 1.00 0.00 C ATOM 677 C SER A 44 7.704 -4.063 7.023 1.00 0.00 C ATOM 678 O SER A 44 7.705 -4.607 8.125 1.00 0.00 O ATOM 679 CB SER A 44 5.392 -4.265 6.147 1.00 0.00 C ATOM 680 OG SER A 44 4.586 -5.027 5.285 1.00 0.00 O ATOM 0 H SER A 44 6.168 -6.605 5.847 1.00 0.00 H new ATOM 0 HA SER A 44 7.165 -4.158 4.950 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.134 -4.470 7.186 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.223 -3.201 5.981 1.00 0.00 H new ATOM 0 HG SER A 44 4.527 -5.946 5.620 1.00 0.00 H new ATOM 686 N ILE A 45 8.317 -2.919 6.789 1.00 0.00 N ATOM 687 CA ILE A 45 9.068 -2.229 7.821 1.00 0.00 C ATOM 688 C ILE A 45 8.149 -1.267 8.551 1.00 0.00 C ATOM 689 O ILE A 45 8.500 -0.709 9.587 1.00 0.00 O ATOM 690 CB ILE A 45 10.289 -1.509 7.226 1.00 0.00 C ATOM 691 CG1 ILE A 45 9.842 -0.515 6.154 1.00 0.00 C ATOM 692 CG2 ILE A 45 11.239 -2.534 6.598 1.00 0.00 C ATOM 693 CD1 ILE A 45 11.046 0.310 5.687 1.00 0.00 C ATOM 0 H ILE A 45 8.309 -2.444 5.886 1.00 0.00 H new ATOM 0 HA ILE A 45 9.450 -2.956 8.537 1.00 0.00 H new ATOM 0 HB ILE A 45 10.803 -0.972 8.024 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.403 -1.047 5.310 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.070 0.143 6.552 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.103 -2.019 6.177 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.572 -3.237 7.361 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.719 -3.075 5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.727 1.019 4.923 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.465 0.854 6.534 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.804 -0.355 5.272 1.00 0.00 H new ATOM 705 N ASP A 46 6.918 -1.188 8.062 1.00 0.00 N ATOM 706 CA ASP A 46 5.867 -0.432 8.716 1.00 0.00 C ATOM 707 C ASP A 46 5.151 -1.341 9.702 1.00 0.00 C ATOM 708 O ASP A 46 4.367 -2.213 9.303 1.00 0.00 O ATOM 709 CB ASP A 46 4.868 0.087 7.666 1.00 0.00 C ATOM 710 CG ASP A 46 3.753 0.910 8.303 1.00 0.00 C ATOM 711 OD1 ASP A 46 3.610 0.880 9.511 1.00 0.00 O ATOM 712 OD2 ASP A 46 3.035 1.548 7.562 1.00 0.00 O ATOM 0 H ASP A 46 6.624 -1.648 7.200 1.00 0.00 H new ATOM 0 HA ASP A 46 6.297 0.419 9.243 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.396 0.696 6.932 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.435 -0.756 7.128 1.00 0.00 H new ATOM 717 N GLY A 47 5.471 -1.191 10.971 1.00 0.00 N ATOM 718 CA GLY A 47 4.918 -2.057 11.994 1.00 0.00 C ATOM 719 C GLY A 47 3.406 -1.941 12.055 1.00 0.00 C ATOM 720 O GLY A 47 2.696 -2.952 12.061 1.00 0.00 O ATOM 0 H GLY A 47 6.111 -0.478 11.319 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.198 -3.090 11.789 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.344 -1.797 12.963 1.00 0.00 H new ATOM 724 N GLY A 48 2.906 -0.720 12.025 1.00 0.00 N ATOM 725 CA GLY A 48 1.469 -0.504 12.069 1.00 0.00 C ATOM 726 C GLY A 48 0.804 -1.252 10.940 1.00 0.00 C ATOM 727 O GLY A 48 -0.176 -1.976 11.146 1.00 0.00 O ATOM 0 H GLY A 48 3.466 0.131 11.971 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.071 -0.842 13.026 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.250 0.561 11.991 1.00 0.00 H new ATOM 731 N SER A 49 1.401 -1.176 9.770 1.00 0.00 N ATOM 732 CA SER A 49 0.908 -1.930 8.646 1.00 0.00 C ATOM 733 C SER A 49 1.015 -3.431 8.910 1.00 0.00 C ATOM 734 O SER A 49 0.110 -4.189 8.572 1.00 0.00 O ATOM 735 CB SER A 49 1.665 -1.543 7.384 1.00 0.00 C ATOM 736 OG SER A 49 1.327 -0.194 7.045 1.00 0.00 O ATOM 0 H SER A 49 2.222 -0.603 9.576 1.00 0.00 H new ATOM 0 HA SER A 49 -0.146 -1.693 8.503 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.739 -1.635 7.544 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.406 -2.215 6.566 1.00 0.00 H new ATOM 0 HG SER A 49 0.362 -0.128 6.887 1.00 0.00 H new ATOM 742 N ALA A 50 2.059 -3.842 9.620 1.00 0.00 N ATOM 743 CA ALA A 50 2.211 -5.246 9.991 1.00 0.00 C ATOM 744 C ALA A 50 1.088 -5.660 10.927 1.00 0.00 C ATOM 745 O ALA A 50 0.511 -6.747 10.794 1.00 0.00 O ATOM 746 CB ALA A 50 3.569 -5.492 10.660 1.00 0.00 C ATOM 0 H ALA A 50 2.807 -3.231 9.948 1.00 0.00 H new ATOM 0 HA ALA A 50 2.163 -5.847 9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.658 -6.545 10.927 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.369 -5.224 9.969 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.647 -4.882 11.560 1.00 0.00 H new ATOM 752 N LYS A 51 0.734 -4.765 11.828 1.00 0.00 N ATOM 753 CA LYS A 51 -0.355 -5.012 12.759 1.00 0.00 C ATOM 754 C LYS A 51 -1.653 -5.140 11.987 1.00 0.00 C ATOM 755 O LYS A 51 -2.532 -5.938 12.328 1.00 0.00 O ATOM 756 CB LYS A 51 -0.476 -3.847 13.755 1.00 0.00 C ATOM 757 CG LYS A 51 0.814 -3.706 14.589 1.00 0.00 C ATOM 758 CD LYS A 51 1.024 -4.943 15.473 1.00 0.00 C ATOM 759 CE LYS A 51 2.330 -4.783 16.265 1.00 0.00 C ATOM 760 NZ LYS A 51 2.408 -3.408 16.833 1.00 0.00 N ATOM 0 H LYS A 51 1.185 -3.857 11.937 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.152 -5.932 13.307 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.669 -2.920 13.216 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.326 -4.014 14.416 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.670 -3.577 13.926 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.755 -2.813 15.212 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.183 -5.063 16.156 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.066 -5.842 14.857 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.373 -5.521 17.066 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.185 -4.967 15.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.098 -3.392 17.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.707 -2.743 16.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.474 -3.128 17.194 1.00 0.00 H new ATOM 774 N ARG A 52 -1.798 -4.291 10.992 1.00 0.00 N ATOM 775 CA ARG A 52 -3.028 -4.196 10.235 1.00 0.00 C ATOM 776 C ARG A 52 -2.991 -4.989 8.935 1.00 0.00 C ATOM 777 O ARG A 52 -3.832 -4.776 8.062 1.00 0.00 O ATOM 778 CB ARG A 52 -3.356 -2.738 9.941 1.00 0.00 C ATOM 779 CG ARG A 52 -3.668 -2.010 11.249 1.00 0.00 C ATOM 780 CD ARG A 52 -3.934 -0.538 10.941 1.00 0.00 C ATOM 781 NE ARG A 52 -5.100 -0.416 10.069 1.00 0.00 N ATOM 782 CZ ARG A 52 -5.480 0.759 9.571 1.00 0.00 C ATOM 783 NH1 ARG A 52 -4.821 1.840 9.885 1.00 0.00 N ATOM 784 NH2 ARG A 52 -6.506 0.821 8.774 1.00 0.00 N ATOM 0 H ARG A 52 -1.068 -3.648 10.685 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.809 -4.636 10.855 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.516 -2.260 9.438 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.209 -2.675 9.265 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.537 -2.457 11.732 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.833 -2.106 11.943 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.102 0.012 11.867 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.062 -0.094 10.461 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.636 -1.252 9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.017 1.784 10.510 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.110 2.742 9.505 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.016 -0.029 8.533 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.800 1.719 8.390 1.00 0.00 H new ATOM 798 N ASP A 53 -1.970 -5.816 8.750 1.00 0.00 N ATOM 799 CA ASP A 53 -1.818 -6.551 7.484 1.00 0.00 C ATOM 800 C ASP A 53 -1.748 -5.561 6.337 1.00 0.00 C ATOM 801 O ASP A 53 -2.211 -5.834 5.224 1.00 0.00 O ATOM 802 CB ASP A 53 -3.015 -7.497 7.255 1.00 0.00 C ATOM 803 CG ASP A 53 -2.864 -8.803 8.010 1.00 0.00 C ATOM 804 OD1 ASP A 53 -2.031 -8.882 8.875 1.00 0.00 O ATOM 805 OD2 ASP A 53 -3.608 -9.715 7.719 1.00 0.00 O ATOM 0 H ASP A 53 -1.243 -5.998 9.442 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.904 -7.142 7.533 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.933 -7.001 7.570 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.114 -7.704 6.189 1.00 0.00 H new ATOM 810 N GLY A 54 -1.232 -4.391 6.628 1.00 0.00 N ATOM 811 CA GLY A 54 -1.138 -3.334 5.647 1.00 0.00 C ATOM 812 C GLY A 54 -2.508 -2.760 5.341 1.00 0.00 C ATOM 813 O GLY A 54 -2.627 -1.859 4.523 1.00 0.00 O ATOM 0 H GLY A 54 -0.866 -4.144 7.548 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.483 -2.545 6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.688 -3.720 4.732 1.00 0.00 H new ATOM 817 N SER A 55 -3.545 -3.279 6.005 1.00 0.00 N ATOM 818 CA SER A 55 -4.907 -2.812 5.770 1.00 0.00 C ATOM 819 C SER A 55 -5.087 -1.386 6.274 1.00 0.00 C ATOM 820 O SER A 55 -5.579 -1.159 7.381 1.00 0.00 O ATOM 821 CB SER A 55 -5.911 -3.751 6.445 1.00 0.00 C ATOM 822 OG SER A 55 -5.433 -5.096 6.347 1.00 0.00 O ATOM 0 H SER A 55 -3.465 -4.017 6.704 1.00 0.00 H new ATOM 0 HA SER A 55 -5.091 -2.815 4.696 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.041 -3.473 7.491 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.887 -3.663 5.968 1.00 0.00 H new ATOM 0 HG SER A 55 -5.090 -5.385 7.218 1.00 0.00 H new ATOM 828 N LEU A 56 -4.691 -0.437 5.444 1.00 0.00 N ATOM 829 CA LEU A 56 -4.801 0.978 5.763 1.00 0.00 C ATOM 830 C LEU A 56 -6.258 1.350 5.916 1.00 0.00 C ATOM 831 O LEU A 56 -6.623 2.169 6.772 1.00 0.00 O ATOM 832 CB LEU A 56 -4.180 1.803 4.638 1.00 0.00 C ATOM 833 CG LEU A 56 -2.672 1.541 4.590 1.00 0.00 C ATOM 834 CD1 LEU A 56 -2.084 2.160 3.331 1.00 0.00 C ATOM 835 CD2 LEU A 56 -2.003 2.150 5.821 1.00 0.00 C ATOM 0 H LEU A 56 -4.283 -0.625 4.528 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.275 1.181 6.696 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.637 1.540 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.371 2.864 4.801 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.495 0.465 4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.011 1.972 3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.556 1.717 2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.264 3.235 3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.930 1.961 5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.182 3.225 5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.419 1.699 6.722 1.00 0.00 H new ATOM 847 N GLY A 57 -7.082 0.790 5.053 1.00 0.00 N ATOM 848 CA GLY A 57 -8.506 1.073 5.062 1.00 0.00 C ATOM 849 C GLY A 57 -8.798 2.300 4.229 1.00 0.00 C ATOM 850 O GLY A 57 -8.074 2.587 3.280 1.00 0.00 O ATOM 0 H GLY A 57 -6.789 0.132 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.057 0.218 4.670 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.847 1.229 6.085 1.00 0.00 H new ATOM 854 N TYR A 58 -9.835 3.043 4.610 1.00 0.00 N ATOM 855 CA TYR A 58 -10.221 4.272 3.902 1.00 0.00 C ATOM 856 C TYR A 58 -9.392 5.428 4.405 1.00 0.00 C ATOM 857 O TYR A 58 -9.326 5.668 5.614 1.00 0.00 O ATOM 858 CB TYR A 58 -11.719 4.607 4.150 1.00 0.00 C ATOM 859 CG TYR A 58 -12.247 3.756 5.280 1.00 0.00 C ATOM 860 CD1 TYR A 58 -11.980 4.121 6.601 1.00 0.00 C ATOM 861 CD2 TYR A 58 -12.983 2.596 5.011 1.00 0.00 C ATOM 862 CE1 TYR A 58 -12.441 3.331 7.649 1.00 0.00 C ATOM 863 CE2 TYR A 58 -13.450 1.805 6.065 1.00 0.00 C ATOM 864 CZ TYR A 58 -13.178 2.175 7.387 1.00 0.00 C ATOM 865 OH TYR A 58 -13.622 1.392 8.435 1.00 0.00 O ATOM 0 H TYR A 58 -10.429 2.818 5.408 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.055 4.113 2.836 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.830 5.663 4.394 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.297 4.426 3.244 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.415 5.018 6.809 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.190 2.312 3.990 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -12.228 3.613 8.669 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -14.019 0.911 5.859 1.00 0.00 H new ATOM 0 HH TYR A 58 -14.120 0.625 8.082 1.00 0.00 H new ATOM 875 N PHE A 59 -8.797 6.165 3.499 1.00 0.00 N ATOM 876 CA PHE A 59 -8.033 7.342 3.872 1.00 0.00 C ATOM 877 C PHE A 59 -8.150 8.414 2.814 1.00 0.00 C ATOM 878 O PHE A 59 -8.275 8.115 1.632 1.00 0.00 O ATOM 879 CB PHE A 59 -6.556 6.980 4.102 1.00 0.00 C ATOM 880 CG PHE A 59 -5.979 6.348 2.854 1.00 0.00 C ATOM 881 CD1 PHE A 59 -5.472 7.151 1.827 1.00 0.00 C ATOM 882 CD2 PHE A 59 -5.949 4.954 2.727 1.00 0.00 C ATOM 883 CE1 PHE A 59 -4.936 6.563 0.676 1.00 0.00 C ATOM 884 CE2 PHE A 59 -5.415 4.367 1.577 1.00 0.00 C ATOM 885 CZ PHE A 59 -4.907 5.169 0.552 1.00 0.00 C ATOM 0 H PHE A 59 -8.824 5.975 2.497 1.00 0.00 H new ATOM 0 HA PHE A 59 -8.444 7.730 4.804 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.990 7.874 4.362 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.468 6.292 4.942 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.494 8.227 1.923 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.339 4.332 3.519 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.545 7.184 -0.116 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.395 3.292 1.480 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.492 4.714 -0.335 1.00 0.00 H new ATOM 895 N GLY A 60 -8.074 9.657 3.235 1.00 0.00 N ATOM 896 CA GLY A 60 -8.119 10.773 2.312 1.00 0.00 C ATOM 897 C GLY A 60 -6.711 11.185 1.935 1.00 0.00 C ATOM 898 O GLY A 60 -5.735 10.573 2.391 1.00 0.00 O ATOM 0 H GLY A 60 -7.980 9.923 4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.678 10.495 1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.644 11.613 2.768 1.00 0.00 H new ATOM 902 N ARG A 61 -6.593 12.201 1.105 1.00 0.00 N ATOM 903 CA ARG A 61 -5.295 12.650 0.661 1.00 0.00 C ATOM 904 C ARG A 61 -4.629 13.480 1.733 1.00 0.00 C ATOM 905 O ARG A 61 -5.299 14.025 2.612 1.00 0.00 O ATOM 906 CB ARG A 61 -5.394 13.430 -0.651 1.00 0.00 C ATOM 907 CG ARG A 61 -6.062 12.537 -1.705 1.00 0.00 C ATOM 908 CD ARG A 61 -5.788 13.080 -3.106 1.00 0.00 C ATOM 909 NE ARG A 61 -4.376 12.892 -3.416 1.00 0.00 N ATOM 910 CZ ARG A 61 -3.893 12.919 -4.654 1.00 0.00 C ATOM 911 NH1 ARG A 61 -4.690 13.075 -5.676 1.00 0.00 N ATOM 912 NH2 ARG A 61 -2.627 12.758 -4.832 1.00 0.00 N ATOM 0 H ARG A 61 -7.380 12.729 0.727 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.680 11.770 0.473 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.974 14.342 -0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.402 13.733 -0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.684 11.518 -1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.137 12.494 -1.527 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.407 12.563 -3.839 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.048 14.137 -3.158 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.727 12.732 -2.645 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.694 13.178 -5.529 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.309 13.094 -6.622 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.014 12.613 -4.030 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.238 12.776 -5.775 1.00 0.00 H new ATOM 926 N GLY A 62 -3.318 13.493 1.720 1.00 0.00 N ATOM 927 CA GLY A 62 -2.545 14.183 2.731 1.00 0.00 C ATOM 928 C GLY A 62 -2.076 13.196 3.779 1.00 0.00 C ATOM 929 O GLY A 62 -0.943 13.271 4.267 1.00 0.00 O ATOM 0 H GLY A 62 -2.754 13.026 1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.688 14.676 2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.150 14.962 3.196 1.00 0.00 H new ATOM 933 N LYS A 63 -2.914 12.205 4.045 1.00 0.00 N ATOM 934 CA LYS A 63 -2.571 11.132 4.968 1.00 0.00 C ATOM 935 C LYS A 63 -1.384 10.340 4.445 1.00 0.00 C ATOM 936 O LYS A 63 -0.567 9.835 5.217 1.00 0.00 O ATOM 937 CB LYS A 63 -3.771 10.206 5.209 1.00 0.00 C ATOM 938 CG LYS A 63 -4.844 10.964 6.003 1.00 0.00 C ATOM 939 CD LYS A 63 -6.047 10.046 6.274 1.00 0.00 C ATOM 940 CE LYS A 63 -7.119 10.821 7.054 1.00 0.00 C ATOM 941 NZ LYS A 63 -6.522 11.360 8.302 1.00 0.00 N ATOM 0 H LYS A 63 -3.843 12.121 3.632 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.296 11.582 5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.179 9.865 4.257 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.456 9.318 5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.427 11.318 6.946 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.166 11.844 5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.459 9.682 5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.730 9.172 6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.512 11.634 6.444 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.957 10.166 7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.278 11.581 8.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.882 10.652 8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.988 12.226 8.086 1.00 0.00 H new ATOM 955 N MET A 64 -1.345 10.168 3.142 1.00 0.00 N ATOM 956 CA MET A 64 -0.314 9.373 2.498 1.00 0.00 C ATOM 957 C MET A 64 0.598 10.287 1.701 1.00 0.00 C ATOM 958 O MET A 64 0.160 11.338 1.238 1.00 0.00 O ATOM 959 CB MET A 64 -0.959 8.367 1.543 1.00 0.00 C ATOM 960 CG MET A 64 -2.361 7.995 2.038 1.00 0.00 C ATOM 961 SD MET A 64 -2.267 7.205 3.668 1.00 0.00 S ATOM 962 CE MET A 64 -2.594 5.517 3.108 1.00 0.00 C ATOM 0 H MET A 64 -2.024 10.573 2.497 1.00 0.00 H new ATOM 0 HA MET A 64 0.258 8.842 3.259 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.020 8.792 0.541 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.340 7.472 1.473 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.982 8.889 2.095 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.838 7.320 1.327 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.292 5.035 3.793 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.027 5.543 2.108 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.661 4.954 3.085 1.00 0.00 H new ATOM 972 N VAL A 65 1.838 9.871 1.491 1.00 0.00 N ATOM 973 CA VAL A 65 2.751 10.668 0.687 1.00 0.00 C ATOM 974 C VAL A 65 2.241 10.735 -0.754 1.00 0.00 C ATOM 975 O VAL A 65 1.629 9.787 -1.251 1.00 0.00 O ATOM 976 CB VAL A 65 4.190 10.112 0.752 1.00 0.00 C ATOM 977 CG1 VAL A 65 4.720 10.222 2.185 1.00 0.00 C ATOM 978 CG2 VAL A 65 4.218 8.644 0.324 1.00 0.00 C ATOM 0 H VAL A 65 2.229 9.004 1.858 1.00 0.00 H new ATOM 0 HA VAL A 65 2.785 11.679 1.093 1.00 0.00 H new ATOM 0 HB VAL A 65 4.816 10.694 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.736 9.829 2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.722 11.268 2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.080 9.648 2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.240 8.269 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.583 8.059 0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.851 8.556 -0.699 1.00 0.00 H new ATOM 988 N LYS A 66 2.380 11.890 -1.372 1.00 0.00 N ATOM 989 CA LYS A 66 1.794 12.122 -2.686 1.00 0.00 C ATOM 990 C LYS A 66 2.006 10.945 -3.655 1.00 0.00 C ATOM 991 O LYS A 66 1.048 10.472 -4.272 1.00 0.00 O ATOM 992 CB LYS A 66 2.303 13.438 -3.278 1.00 0.00 C ATOM 993 CG LYS A 66 1.863 14.601 -2.367 1.00 0.00 C ATOM 994 CD LYS A 66 1.343 15.780 -3.209 1.00 0.00 C ATOM 995 CE LYS A 66 -0.186 15.808 -3.182 1.00 0.00 C ATOM 996 NZ LYS A 66 -0.716 14.483 -3.604 1.00 0.00 N ATOM 0 H LYS A 66 2.892 12.685 -0.990 1.00 0.00 H new ATOM 0 HA LYS A 66 0.716 12.201 -2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.389 13.417 -3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.907 13.577 -4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.083 14.262 -1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.703 14.927 -1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.739 16.718 -2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.695 15.687 -4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.538 16.049 -2.179 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.557 16.588 -3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.668 14.602 -4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.086 14.070 -4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.765 13.850 -2.780 1.00 0.00 H new ATOM 1010 N PRO A 67 3.210 10.435 -3.786 1.00 0.00 N ATOM 1011 CA PRO A 67 3.424 9.268 -4.704 1.00 0.00 C ATOM 1012 C PRO A 67 2.594 8.057 -4.266 1.00 0.00 C ATOM 1013 O PRO A 67 2.064 7.314 -5.106 1.00 0.00 O ATOM 1014 CB PRO A 67 4.928 8.978 -4.594 1.00 0.00 C ATOM 1015 CG PRO A 67 5.343 9.589 -3.298 1.00 0.00 C ATOM 1016 CD PRO A 67 4.478 10.836 -3.134 1.00 0.00 C ATOM 0 HA PRO A 67 3.113 9.480 -5.727 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.126 7.906 -4.607 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.476 9.413 -5.429 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.190 8.895 -2.471 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.402 9.846 -3.307 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.331 11.093 -2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.925 11.706 -3.616 1.00 0.00 H new ATOM 1024 N PHE A 68 2.393 7.931 -2.958 1.00 0.00 N ATOM 1025 CA PHE A 68 1.525 6.891 -2.412 1.00 0.00 C ATOM 1026 C PHE A 68 0.116 7.100 -2.928 1.00 0.00 C ATOM 1027 O PHE A 68 -0.544 6.167 -3.397 1.00 0.00 O ATOM 1028 CB PHE A 68 1.516 6.947 -0.876 1.00 0.00 C ATOM 1029 CG PHE A 68 0.753 5.773 -0.319 1.00 0.00 C ATOM 1030 CD1 PHE A 68 -0.645 5.810 -0.251 1.00 0.00 C ATOM 1031 CD2 PHE A 68 1.444 4.642 0.123 1.00 0.00 C ATOM 1032 CE1 PHE A 68 -1.346 4.721 0.262 1.00 0.00 C ATOM 1033 CE2 PHE A 68 0.740 3.557 0.634 1.00 0.00 C ATOM 1034 CZ PHE A 68 -0.656 3.595 0.705 1.00 0.00 C ATOM 0 H PHE A 68 2.819 8.536 -2.256 1.00 0.00 H new ATOM 0 HA PHE A 68 1.900 5.917 -2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.538 6.938 -0.498 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.060 7.879 -0.541 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.180 6.683 -0.596 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.522 4.610 0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.424 4.750 0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.273 2.683 0.977 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.199 2.751 1.103 1.00 0.00 H new ATOM 1044 N GLU A 69 -0.333 8.349 -2.849 1.00 0.00 N ATOM 1045 CA GLU A 69 -1.674 8.703 -3.282 1.00 0.00 C ATOM 1046 C GLU A 69 -1.822 8.406 -4.757 1.00 0.00 C ATOM 1047 O GLU A 69 -2.802 7.803 -5.188 1.00 0.00 O ATOM 1048 CB GLU A 69 -1.903 10.204 -3.066 1.00 0.00 C ATOM 1049 CG GLU A 69 -1.941 10.536 -1.568 1.00 0.00 C ATOM 1050 CD GLU A 69 -2.040 12.042 -1.359 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -1.989 12.775 -2.339 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -2.163 12.452 -0.234 1.00 0.00 O ATOM 0 H GLU A 69 0.215 9.130 -2.489 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.398 8.126 -2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.108 10.772 -3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.840 10.505 -3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.793 10.041 -1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.044 10.153 -1.082 1.00 0.00 H new ATOM 1059 N ASP A 70 -0.825 8.800 -5.520 1.00 0.00 N ATOM 1060 CA ASP A 70 -0.854 8.602 -6.957 1.00 0.00 C ATOM 1061 C ASP A 70 -1.037 7.141 -7.310 1.00 0.00 C ATOM 1062 O ASP A 70 -1.918 6.788 -8.100 1.00 0.00 O ATOM 1063 CB ASP A 70 0.439 9.110 -7.577 1.00 0.00 C ATOM 1064 CG ASP A 70 0.518 8.648 -9.009 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -0.257 9.113 -9.807 1.00 0.00 O ATOM 1066 OD2 ASP A 70 1.343 7.812 -9.286 1.00 0.00 O ATOM 0 H ASP A 70 0.016 9.259 -5.171 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.702 9.162 -7.353 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.475 10.198 -7.531 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.296 8.739 -7.015 1.00 0.00 H new ATOM 1071 N ALA A 71 -0.222 6.292 -6.713 1.00 0.00 N ATOM 1072 CA ALA A 71 -0.326 4.865 -6.968 1.00 0.00 C ATOM 1073 C ALA A 71 -1.657 4.340 -6.456 1.00 0.00 C ATOM 1074 O ALA A 71 -2.304 3.511 -7.104 1.00 0.00 O ATOM 1075 CB ALA A 71 0.824 4.107 -6.306 1.00 0.00 C ATOM 0 H ALA A 71 0.511 6.559 -6.056 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.267 4.705 -8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.723 3.041 -6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.773 4.465 -6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.797 4.273 -5.229 1.00 0.00 H new ATOM 1081 N ALA A 72 -2.067 4.836 -5.292 1.00 0.00 N ATOM 1082 CA ALA A 72 -3.319 4.406 -4.689 1.00 0.00 C ATOM 1083 C ALA A 72 -4.495 4.748 -5.586 1.00 0.00 C ATOM 1084 O ALA A 72 -5.373 3.913 -5.816 1.00 0.00 O ATOM 1085 CB ALA A 72 -3.504 5.050 -3.314 1.00 0.00 C ATOM 0 H ALA A 72 -1.552 5.532 -4.752 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.279 3.324 -4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.446 4.716 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.680 4.759 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.518 6.135 -3.419 1.00 0.00 H new ATOM 1091 N PHE A 73 -4.516 5.975 -6.088 1.00 0.00 N ATOM 1092 CA PHE A 73 -5.594 6.402 -6.965 1.00 0.00 C ATOM 1093 C PHE A 73 -5.573 5.643 -8.283 1.00 0.00 C ATOM 1094 O PHE A 73 -6.626 5.288 -8.815 1.00 0.00 O ATOM 1095 CB PHE A 73 -5.568 7.918 -7.219 1.00 0.00 C ATOM 1096 CG PHE A 73 -6.076 8.641 -5.990 1.00 0.00 C ATOM 1097 CD1 PHE A 73 -7.436 8.586 -5.655 1.00 0.00 C ATOM 1098 CD2 PHE A 73 -5.194 9.362 -5.189 1.00 0.00 C ATOM 1099 CE1 PHE A 73 -7.906 9.247 -4.517 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -5.662 10.024 -4.051 1.00 0.00 C ATOM 1101 CZ PHE A 73 -7.019 9.963 -3.713 1.00 0.00 C ATOM 0 H PHE A 73 -3.806 6.685 -5.905 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.525 6.169 -6.448 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.554 8.242 -7.452 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.187 8.164 -8.082 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.122 8.031 -6.278 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.147 9.410 -5.448 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.954 9.204 -4.260 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.976 10.583 -3.432 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.379 10.470 -2.830 1.00 0.00 H new ATOM 1111 N ARG A 74 -4.381 5.417 -8.832 1.00 0.00 N ATOM 1112 CA ARG A 74 -4.289 4.720 -10.108 1.00 0.00 C ATOM 1113 C ARG A 74 -4.792 3.284 -10.038 1.00 0.00 C ATOM 1114 O ARG A 74 -5.477 2.820 -10.956 1.00 0.00 O ATOM 1115 CB ARG A 74 -2.884 4.784 -10.721 1.00 0.00 C ATOM 1116 CG ARG A 74 -2.611 6.200 -11.248 1.00 0.00 C ATOM 1117 CD ARG A 74 -1.231 6.251 -11.912 1.00 0.00 C ATOM 1118 NE ARG A 74 -0.157 6.233 -10.921 1.00 0.00 N ATOM 1119 CZ ARG A 74 0.918 5.441 -11.039 1.00 0.00 C ATOM 1120 NH1 ARG A 74 0.979 4.545 -11.984 1.00 0.00 N ATOM 1121 NH2 ARG A 74 1.903 5.574 -10.209 1.00 0.00 N ATOM 0 H ARG A 74 -3.489 5.698 -8.425 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.958 5.261 -10.777 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.138 4.514 -9.973 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.798 4.061 -11.532 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.380 6.485 -11.965 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.657 6.918 -10.429 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.119 5.402 -12.586 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.152 7.153 -12.519 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.228 6.846 -10.109 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.205 4.443 -12.641 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.801 3.946 -12.067 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.857 6.278 -9.472 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.724 4.975 -10.292 1.00 0.00 H new ATOM 1135 N LEU A 75 -4.448 2.569 -8.976 1.00 0.00 N ATOM 1136 CA LEU A 75 -4.883 1.177 -8.847 1.00 0.00 C ATOM 1137 C LEU A 75 -6.107 1.018 -7.977 1.00 0.00 C ATOM 1138 O LEU A 75 -6.307 -0.040 -7.373 1.00 0.00 O ATOM 1139 CB LEU A 75 -3.765 0.246 -8.395 1.00 0.00 C ATOM 1140 CG LEU A 75 -2.612 0.303 -9.400 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -1.572 -0.737 -9.024 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -3.119 0.023 -10.822 1.00 0.00 C ATOM 0 H LEU A 75 -3.881 2.917 -8.203 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.166 0.876 -9.856 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.413 0.537 -7.405 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.139 -0.775 -8.313 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.173 1.300 -9.376 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.748 -0.701 -9.736 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.195 -0.529 -8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.025 -1.728 -9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.284 0.068 -11.521 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.570 -0.969 -10.859 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.863 0.770 -11.097 1.00 0.00 H new ATOM 1154 N GLN A 76 -6.976 2.013 -7.982 1.00 0.00 N ATOM 1155 CA GLN A 76 -8.233 1.906 -7.244 1.00 0.00 C ATOM 1156 C GLN A 76 -8.996 0.669 -7.695 1.00 0.00 C ATOM 1157 O GLN A 76 -9.843 0.139 -6.970 1.00 0.00 O ATOM 1158 CB GLN A 76 -9.079 3.163 -7.417 1.00 0.00 C ATOM 1159 CG GLN A 76 -8.422 4.311 -6.656 1.00 0.00 C ATOM 1160 CD GLN A 76 -9.158 5.610 -6.930 1.00 0.00 C ATOM 1161 OE1 GLN A 76 -10.132 5.931 -6.238 1.00 0.00 O ATOM 1162 NE2 GLN A 76 -8.765 6.376 -7.894 1.00 0.00 N ATOM 0 H GLN A 76 -6.843 2.894 -8.479 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.005 1.808 -6.183 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.169 3.414 -8.474 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.089 2.992 -7.043 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.429 4.099 -5.587 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.378 4.406 -6.956 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.962 6.109 -8.463 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.258 7.248 -8.086 1.00 0.00 H new ATOM 1171 N VAL A 77 -8.621 0.165 -8.852 1.00 0.00 N ATOM 1172 CA VAL A 77 -9.173 -1.067 -9.367 1.00 0.00 C ATOM 1173 C VAL A 77 -8.939 -2.229 -8.387 1.00 0.00 C ATOM 1174 O VAL A 77 -9.750 -3.153 -8.309 1.00 0.00 O ATOM 1175 CB VAL A 77 -8.580 -1.359 -10.762 1.00 0.00 C ATOM 1176 CG1 VAL A 77 -7.047 -1.287 -10.711 1.00 0.00 C ATOM 1177 CG2 VAL A 77 -8.997 -2.756 -11.227 1.00 0.00 C ATOM 0 H VAL A 77 -7.926 0.598 -9.460 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.252 -0.959 -9.473 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.957 -0.612 -11.461 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.640 -1.495 -11.701 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.740 -0.290 -10.394 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.671 -2.025 -10.002 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.574 -2.953 -12.212 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.630 -3.500 -10.519 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.084 -2.812 -11.281 1.00 0.00 H new ATOM 1187 N GLY A 78 -7.860 -2.159 -7.611 1.00 0.00 N ATOM 1188 CA GLY A 78 -7.569 -3.192 -6.613 1.00 0.00 C ATOM 1189 C GLY A 78 -6.257 -3.869 -6.904 1.00 0.00 C ATOM 1190 O GLY A 78 -5.803 -4.723 -6.146 1.00 0.00 O ATOM 0 H GLY A 78 -7.175 -1.404 -7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.539 -2.745 -5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.370 -3.931 -6.605 1.00 0.00 H new ATOM 1194 N GLU A 79 -5.652 -3.483 -7.988 1.00 0.00 N ATOM 1195 CA GLU A 79 -4.406 -4.065 -8.413 1.00 0.00 C ATOM 1196 C GLU A 79 -3.270 -3.671 -7.482 1.00 0.00 C ATOM 1197 O GLU A 79 -3.381 -2.707 -6.720 1.00 0.00 O ATOM 1198 CB GLU A 79 -4.106 -3.637 -9.836 1.00 0.00 C ATOM 1199 CG GLU A 79 -5.126 -4.264 -10.804 1.00 0.00 C ATOM 1200 CD GLU A 79 -5.025 -5.785 -10.813 1.00 0.00 C ATOM 1201 OE1 GLU A 79 -3.990 -6.306 -10.442 1.00 0.00 O ATOM 1202 OE2 GLU A 79 -5.985 -6.412 -11.197 1.00 0.00 O ATOM 0 H GLU A 79 -6.007 -2.754 -8.607 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.497 -5.151 -8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.141 -2.550 -9.912 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.097 -3.943 -10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.134 -3.967 -10.515 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.957 -3.881 -11.810 1.00 0.00 H new ATOM 1209 N VAL A 80 -2.184 -4.431 -7.533 1.00 0.00 N ATOM 1210 CA VAL A 80 -1.029 -4.160 -6.690 1.00 0.00 C ATOM 1211 C VAL A 80 -0.087 -3.207 -7.416 1.00 0.00 C ATOM 1212 O VAL A 80 0.259 -3.424 -8.585 1.00 0.00 O ATOM 1213 CB VAL A 80 -0.287 -5.468 -6.343 1.00 0.00 C ATOM 1214 CG1 VAL A 80 0.615 -5.247 -5.124 1.00 0.00 C ATOM 1215 CG2 VAL A 80 -1.291 -6.584 -6.040 1.00 0.00 C ATOM 0 H VAL A 80 -2.079 -5.238 -8.148 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.370 -3.703 -5.761 1.00 0.00 H new ATOM 0 HB VAL A 80 0.322 -5.761 -7.198 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.136 -6.174 -4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.344 -4.468 -5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.007 -4.941 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.754 -7.501 -5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.914 -6.293 -5.194 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.921 -6.753 -6.913 1.00 0.00 H new ATOM 1225 N SER A 81 0.271 -2.138 -6.752 1.00 0.00 N ATOM 1226 CA SER A 81 1.121 -1.118 -7.328 1.00 0.00 C ATOM 1227 C SER A 81 2.579 -1.532 -7.349 1.00 0.00 C ATOM 1228 O SER A 81 3.019 -2.382 -6.558 1.00 0.00 O ATOM 1229 CB SER A 81 0.952 0.172 -6.540 1.00 0.00 C ATOM 1230 OG SER A 81 1.013 -0.133 -5.153 1.00 0.00 O ATOM 0 H SER A 81 -0.018 -1.946 -5.793 1.00 0.00 H new ATOM 0 HA SER A 81 0.818 -0.969 -8.364 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.734 0.883 -6.806 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.001 0.641 -6.783 1.00 0.00 H new ATOM 0 HG SER A 81 1.523 0.562 -4.687 1.00 0.00 H new ATOM 1236 N GLU A 82 3.343 -0.884 -8.213 1.00 0.00 N ATOM 1237 CA GLU A 82 4.779 -1.071 -8.257 1.00 0.00 C ATOM 1238 C GLU A 82 5.369 -0.460 -7.004 1.00 0.00 C ATOM 1239 O GLU A 82 4.703 0.332 -6.335 1.00 0.00 O ATOM 1240 CB GLU A 82 5.362 -0.355 -9.475 1.00 0.00 C ATOM 1241 CG GLU A 82 4.552 -0.706 -10.723 1.00 0.00 C ATOM 1242 CD GLU A 82 3.530 0.369 -11.016 1.00 0.00 C ATOM 1243 OE1 GLU A 82 2.809 0.740 -10.116 1.00 0.00 O ATOM 1244 OE2 GLU A 82 3.480 0.818 -12.134 1.00 0.00 O ATOM 0 H GLU A 82 2.986 -0.218 -8.898 1.00 0.00 H new ATOM 0 HA GLU A 82 5.012 -2.134 -8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.350 0.723 -9.314 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.404 -0.645 -9.614 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.221 -0.821 -11.576 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.050 -1.663 -10.580 1.00 0.00 H new ATOM 1251 N PRO A 83 6.613 -0.716 -6.728 1.00 0.00 N ATOM 1252 CA PRO A 83 7.266 -0.087 -5.551 1.00 0.00 C ATOM 1253 C PRO A 83 7.161 1.435 -5.642 1.00 0.00 C ATOM 1254 O PRO A 83 7.434 2.024 -6.696 1.00 0.00 O ATOM 1255 CB PRO A 83 8.735 -0.522 -5.682 1.00 0.00 C ATOM 1256 CG PRO A 83 8.694 -1.784 -6.479 1.00 0.00 C ATOM 1257 CD PRO A 83 7.520 -1.637 -7.440 1.00 0.00 C ATOM 0 HA PRO A 83 6.814 -0.380 -4.603 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.330 0.242 -6.183 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.187 -0.687 -4.704 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.627 -1.932 -7.023 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.562 -2.650 -5.831 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.835 -1.229 -8.401 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.043 -2.596 -7.642 1.00 0.00 H new ATOM 1265 N VAL A 84 6.812 2.061 -4.536 1.00 0.00 N ATOM 1266 CA VAL A 84 6.710 3.507 -4.472 1.00 0.00 C ATOM 1267 C VAL A 84 7.732 4.032 -3.491 1.00 0.00 C ATOM 1268 O VAL A 84 7.798 3.572 -2.355 1.00 0.00 O ATOM 1269 CB VAL A 84 5.289 3.901 -4.022 1.00 0.00 C ATOM 1270 CG1 VAL A 84 5.237 5.381 -3.623 1.00 0.00 C ATOM 1271 CG2 VAL A 84 4.303 3.648 -5.168 1.00 0.00 C ATOM 0 H VAL A 84 6.592 1.586 -3.661 1.00 0.00 H new ATOM 0 HA VAL A 84 6.902 3.938 -5.455 1.00 0.00 H new ATOM 0 HB VAL A 84 5.017 3.297 -3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.225 5.638 -3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.929 5.561 -2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.520 5.998 -4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.298 3.926 -4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.589 4.246 -6.033 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.320 2.592 -5.436 1.00 0.00 H new ATOM 1281 N LYS A 85 8.544 4.975 -3.937 1.00 0.00 N ATOM 1282 CA LYS A 85 9.600 5.529 -3.103 1.00 0.00 C ATOM 1283 C LYS A 85 9.072 6.653 -2.228 1.00 0.00 C ATOM 1284 O LYS A 85 8.465 7.612 -2.725 1.00 0.00 O ATOM 1285 CB LYS A 85 10.755 6.044 -3.982 1.00 0.00 C ATOM 1286 CG LYS A 85 11.929 6.538 -3.109 1.00 0.00 C ATOM 1287 CD LYS A 85 12.550 5.357 -2.339 1.00 0.00 C ATOM 1288 CE LYS A 85 14.085 5.416 -2.434 1.00 0.00 C ATOM 1289 NZ LYS A 85 14.508 5.294 -3.859 1.00 0.00 N ATOM 0 H LYS A 85 8.493 5.375 -4.874 1.00 0.00 H new ATOM 0 HA LYS A 85 9.970 4.736 -2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.097 5.248 -4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.401 6.856 -4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.685 7.011 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.578 7.295 -2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.240 5.390 -1.294 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.188 4.414 -2.749 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.449 6.355 -2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.526 4.613 -1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.546 5.317 -3.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.160 4.395 -4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.113 6.085 -4.407 1.00 0.00 H new ATOM 1303 N SER A 86 9.388 6.586 -0.959 1.00 0.00 N ATOM 1304 CA SER A 86 9.045 7.616 -0.011 1.00 0.00 C ATOM 1305 C SER A 86 10.245 7.887 0.853 1.00 0.00 C ATOM 1306 O SER A 86 11.205 7.102 0.860 1.00 0.00 O ATOM 1307 CB SER A 86 7.886 7.165 0.874 1.00 0.00 C ATOM 1308 OG SER A 86 8.385 6.341 1.924 1.00 0.00 O ATOM 0 H SER A 86 9.898 5.803 -0.550 1.00 0.00 H new ATOM 0 HA SER A 86 8.745 8.515 -0.549 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.373 8.032 1.290 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.154 6.615 0.282 1.00 0.00 H new ATOM 0 HG SER A 86 7.743 5.624 2.111 1.00 0.00 H new ATOM 1314 N GLU A 87 10.175 8.932 1.635 1.00 0.00 N ATOM 1315 CA GLU A 87 11.225 9.224 2.576 1.00 0.00 C ATOM 1316 C GLU A 87 11.423 8.010 3.486 1.00 0.00 C ATOM 1317 O GLU A 87 12.554 7.622 3.788 1.00 0.00 O ATOM 1318 CB GLU A 87 10.861 10.471 3.406 1.00 0.00 C ATOM 1319 CG GLU A 87 9.330 10.565 3.596 1.00 0.00 C ATOM 1320 CD GLU A 87 8.697 11.343 2.455 1.00 0.00 C ATOM 1321 OE1 GLU A 87 8.448 10.751 1.425 1.00 0.00 O ATOM 1322 OE2 GLU A 87 8.487 12.525 2.615 1.00 0.00 O ATOM 0 H GLU A 87 9.401 9.596 1.639 1.00 0.00 H new ATOM 0 HA GLU A 87 12.153 9.432 2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.352 10.425 4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.227 11.368 2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.902 9.564 3.642 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.105 11.052 4.545 1.00 0.00 H new ATOM 1329 N PHE A 88 10.313 7.367 3.827 1.00 0.00 N ATOM 1330 CA PHE A 88 10.317 6.153 4.641 1.00 0.00 C ATOM 1331 C PHE A 88 11.020 4.993 3.941 1.00 0.00 C ATOM 1332 O PHE A 88 11.760 4.232 4.574 1.00 0.00 O ATOM 1333 CB PHE A 88 8.877 5.749 4.973 1.00 0.00 C ATOM 1334 CG PHE A 88 8.303 6.694 5.998 1.00 0.00 C ATOM 1335 CD1 PHE A 88 8.543 6.484 7.360 1.00 0.00 C ATOM 1336 CD2 PHE A 88 7.535 7.792 5.585 1.00 0.00 C ATOM 1337 CE1 PHE A 88 8.016 7.369 8.308 1.00 0.00 C ATOM 1338 CE2 PHE A 88 7.009 8.675 6.532 1.00 0.00 C ATOM 1339 CZ PHE A 88 7.249 8.463 7.893 1.00 0.00 C ATOM 0 H PHE A 88 9.381 7.672 3.547 1.00 0.00 H new ATOM 0 HA PHE A 88 10.869 6.374 5.555 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.268 5.765 4.069 1.00 0.00 H new ATOM 0 HB3 PHE A 88 8.855 4.728 5.354 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.135 5.639 7.680 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.350 7.956 4.534 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.201 7.207 9.360 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.418 9.520 6.213 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.842 9.145 8.625 1.00 0.00 H new ATOM 1349 N GLY A 89 10.739 4.816 2.659 1.00 0.00 N ATOM 1350 CA GLY A 89 11.295 3.689 1.906 1.00 0.00 C ATOM 1351 C GLY A 89 10.424 3.356 0.710 1.00 0.00 C ATOM 1352 O GLY A 89 9.923 4.254 0.037 1.00 0.00 O ATOM 0 H GLY A 89 10.133 5.431 2.116 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.303 3.932 1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.377 2.817 2.555 1.00 0.00 H new ATOM 1356 N TYR A 90 10.247 2.063 0.440 1.00 0.00 N ATOM 1357 CA TYR A 90 9.434 1.622 -0.688 1.00 0.00 C ATOM 1358 C TYR A 90 8.096 1.057 -0.239 1.00 0.00 C ATOM 1359 O TYR A 90 8.051 0.166 0.593 1.00 0.00 O ATOM 1360 CB TYR A 90 10.187 0.581 -1.522 1.00 0.00 C ATOM 1361 CG TYR A 90 11.181 1.277 -2.411 1.00 0.00 C ATOM 1362 CD1 TYR A 90 10.745 1.874 -3.599 1.00 0.00 C ATOM 1363 CD2 TYR A 90 12.529 1.338 -2.050 1.00 0.00 C ATOM 1364 CE1 TYR A 90 11.655 2.529 -4.427 1.00 0.00 C ATOM 1365 CE2 TYR A 90 13.439 2.000 -2.881 1.00 0.00 C ATOM 1366 CZ TYR A 90 13.000 2.593 -4.069 1.00 0.00 C ATOM 1367 OH TYR A 90 13.893 3.244 -4.880 1.00 0.00 O ATOM 0 H TYR A 90 10.656 1.305 0.987 1.00 0.00 H new ATOM 0 HA TYR A 90 9.236 2.500 -1.303 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.699 -0.124 -0.867 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.485 0.005 -2.124 1.00 0.00 H new ATOM 0 HD1 TYR A 90 9.702 1.827 -3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.867 0.876 -1.134 1.00 0.00 H new ATOM 0 HE1 TYR A 90 11.318 2.987 -5.345 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.482 2.053 -2.605 1.00 0.00 H new ATOM 0 HH TYR A 90 13.862 2.855 -5.779 1.00 0.00 H new ATOM 1377 N HIS A 91 7.015 1.518 -0.862 1.00 0.00 N ATOM 1378 CA HIS A 91 5.682 0.999 -0.559 1.00 0.00 C ATOM 1379 C HIS A 91 5.138 0.193 -1.711 1.00 0.00 C ATOM 1380 O HIS A 91 5.260 0.604 -2.864 1.00 0.00 O ATOM 1381 CB HIS A 91 4.684 2.132 -0.282 1.00 0.00 C ATOM 1382 CG HIS A 91 5.241 3.116 0.692 1.00 0.00 C ATOM 1383 ND1 HIS A 91 4.642 3.352 1.932 1.00 0.00 N ATOM 1384 CD2 HIS A 91 6.328 3.950 0.631 1.00 0.00 C ATOM 1385 CE1 HIS A 91 5.371 4.298 2.554 1.00 0.00 C ATOM 1386 NE2 HIS A 91 6.403 4.690 1.810 1.00 0.00 N ATOM 0 H HIS A 91 7.034 2.246 -1.576 1.00 0.00 H new ATOM 0 HA HIS A 91 5.793 0.374 0.327 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.438 2.639 -1.215 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.756 1.715 0.109 1.00 0.00 H new ATOM 0 HD1 HIS A 91 3.808 2.893 2.298 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.016 4.022 -0.198 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.146 4.690 3.535 1.00 0.00 H new ATOM 1394 N VAL A 92 4.376 -0.827 -1.378 1.00 0.00 N ATOM 1395 CA VAL A 92 3.580 -1.552 -2.344 1.00 0.00 C ATOM 1396 C VAL A 92 2.128 -1.365 -1.932 1.00 0.00 C ATOM 1397 O VAL A 92 1.807 -1.516 -0.746 1.00 0.00 O ATOM 1398 CB VAL A 92 3.952 -3.042 -2.314 1.00 0.00 C ATOM 1399 CG1 VAL A 92 2.979 -3.853 -3.175 1.00 0.00 C ATOM 1400 CG2 VAL A 92 5.373 -3.231 -2.834 1.00 0.00 C ATOM 0 H VAL A 92 4.291 -1.178 -0.424 1.00 0.00 H new ATOM 0 HA VAL A 92 3.751 -1.187 -3.356 1.00 0.00 H new ATOM 0 HB VAL A 92 3.891 -3.395 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.256 -4.907 -3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.966 -3.733 -2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.021 -3.498 -4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.631 -4.290 -2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.437 -2.865 -3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.068 -2.674 -2.205 1.00 0.00 H new ATOM 1410 N ILE A 93 1.284 -0.926 -2.850 1.00 0.00 N ATOM 1411 CA ILE A 93 -0.090 -0.597 -2.504 1.00 0.00 C ATOM 1412 C ILE A 93 -1.066 -1.454 -3.284 1.00 0.00 C ATOM 1413 O ILE A 93 -1.068 -1.425 -4.523 1.00 0.00 O ATOM 1414 CB ILE A 93 -0.366 0.886 -2.819 1.00 0.00 C ATOM 1415 CG1 ILE A 93 0.589 1.771 -2.025 1.00 0.00 C ATOM 1416 CG2 ILE A 93 -1.810 1.248 -2.439 1.00 0.00 C ATOM 1417 CD1 ILE A 93 0.468 3.209 -2.527 1.00 0.00 C ATOM 0 H ILE A 93 1.522 -0.790 -3.832 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.225 -0.787 -1.439 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.218 1.047 -3.887 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.352 1.722 -0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.614 1.417 -2.140 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.994 2.298 -2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.502 0.627 -3.008 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.960 1.076 -1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.148 3.849 -1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.725 3.248 -3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.556 3.557 -2.390 1.00 0.00 H new ATOM 1429 N LYS A 94 -1.984 -2.088 -2.571 1.00 0.00 N ATOM 1430 CA LYS A 94 -3.110 -2.775 -3.185 1.00 0.00 C ATOM 1431 C LYS A 94 -4.386 -2.145 -2.666 1.00 0.00 C ATOM 1432 O LYS A 94 -4.468 -1.801 -1.487 1.00 0.00 O ATOM 1433 CB LYS A 94 -3.104 -4.273 -2.864 1.00 0.00 C ATOM 1434 CG LYS A 94 -4.257 -4.953 -3.629 1.00 0.00 C ATOM 1435 CD LYS A 94 -4.262 -6.455 -3.346 1.00 0.00 C ATOM 1436 CE LYS A 94 -5.438 -7.121 -4.086 1.00 0.00 C ATOM 1437 NZ LYS A 94 -5.291 -6.942 -5.550 1.00 0.00 N ATOM 0 H LYS A 94 -1.970 -2.141 -1.552 1.00 0.00 H new ATOM 0 HA LYS A 94 -3.038 -2.675 -4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.150 -4.716 -3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.220 -4.429 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.210 -4.516 -3.330 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.147 -4.777 -4.699 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.320 -6.898 -3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.348 -6.632 -2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.474 -8.183 -3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.380 -6.686 -3.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.826 -7.683 -6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.658 -6.008 -5.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.286 -7.009 -5.809 1.00 0.00 H new ATOM 1451 N ARG A 95 -5.382 -1.990 -3.518 1.00 0.00 N ATOM 1452 CA ARG A 95 -6.627 -1.386 -3.061 1.00 0.00 C ATOM 1453 C ARG A 95 -7.472 -2.392 -2.307 1.00 0.00 C ATOM 1454 O ARG A 95 -7.451 -3.589 -2.608 1.00 0.00 O ATOM 1455 CB ARG A 95 -7.431 -0.721 -4.187 1.00 0.00 C ATOM 1456 CG ARG A 95 -7.742 0.736 -3.774 1.00 0.00 C ATOM 1457 CD ARG A 95 -9.209 1.061 -4.055 1.00 0.00 C ATOM 1458 NE ARG A 95 -10.068 0.207 -3.243 1.00 0.00 N ATOM 1459 CZ ARG A 95 -10.980 -0.619 -3.782 1.00 0.00 C ATOM 1460 NH1 ARG A 95 -11.093 -0.733 -5.080 1.00 0.00 N ATOM 1461 NH2 ARG A 95 -11.743 -1.324 -3.002 1.00 0.00 N ATOM 0 H ARG A 95 -5.361 -2.263 -4.501 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.345 -0.584 -2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.864 -0.738 -5.118 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.356 -1.269 -4.367 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.527 0.875 -2.714 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.098 1.423 -4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.408 2.109 -3.832 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.428 0.913 -5.112 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.973 0.238 -2.228 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.485 -0.192 -5.694 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.789 -1.363 -5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.647 -1.248 -1.989 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.438 -1.954 -3.402 1.00 0.00 H new ATOM 1475 N LEU A 96 -8.154 -1.919 -1.283 1.00 0.00 N ATOM 1476 CA LEU A 96 -8.932 -2.763 -0.421 1.00 0.00 C ATOM 1477 C LEU A 96 -10.410 -2.462 -0.587 1.00 0.00 C ATOM 1478 O LEU A 96 -10.844 -1.304 -0.533 1.00 0.00 O ATOM 1479 CB LEU A 96 -8.511 -2.553 1.042 1.00 0.00 C ATOM 1480 CG LEU A 96 -9.356 -3.440 1.964 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -9.013 -4.917 1.724 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -9.057 -3.091 3.424 1.00 0.00 C ATOM 0 H LEU A 96 -8.179 -0.931 -1.030 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.754 -3.803 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.454 -2.792 1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.635 -1.506 1.318 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.411 -3.271 1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.617 -5.542 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.222 -5.175 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.956 -5.084 1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.658 -3.722 4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.000 -3.258 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.300 -2.044 3.605 1.00 0.00 H new ATOM 1494 N GLY A 97 -11.176 -3.489 -0.763 1.00 0.00 N ATOM 1495 CA GLY A 97 -12.607 -3.375 -0.887 1.00 0.00 C ATOM 1496 C GLY A 97 -13.253 -3.840 0.395 1.00 0.00 C ATOM 1497 O GLY A 97 -13.029 -4.964 0.764 1.00 0.00 O ATOM 1498 OXT GLY A 97 -13.939 -3.060 1.001 1.00 0.00 O ATOM 0 H GLY A 97 -10.829 -4.446 -0.827 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.885 -2.342 -1.095 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.961 -3.975 -1.725 1.00 0.00 H new