USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 611 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 11 LYS NZ :NH3+ -105:sc= -1.98! (180deg=-3.29!) USER MOD Set 1.2: A 49 GLN :FLIP amide:sc= -0.067 F(o=-2.8,f=-2) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0292) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -168:sc= 0 (180deg=-0.0907) USER MOD Single : A 23 LYS NZ :NH3+ 148:sc= -0.722 (180deg=-2.04) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN :FLIP amide:sc= 0.102 F(o=-1.4,f=0.1) USER MOD Single : A 31 ASN : amide:sc= -0.117 K(o=-0.12,f=-2.1!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.0348 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 44 GLN : amide:sc= -0.108 K(o=-0.11,f=-3.2!) USER MOD Single : A 73 GLN : amide:sc= -0.0928 K(o=-0.093,f=-1.9!) USER MOD Single : A 74 THR OG1 : rot 79:sc= 1.04 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 6.320 16.108 0.646 1.00 0.00 N ATOM 67 CA SER A 8 5.462 15.014 1.084 1.00 0.00 C ATOM 68 C SER A 8 4.295 14.818 0.119 1.00 0.00 C ATOM 69 O SER A 8 3.174 14.527 0.535 1.00 0.00 O ATOM 70 CB SER A 8 4.932 15.285 2.493 1.00 0.00 C ATOM 71 OG SER A 8 5.945 15.090 3.466 1.00 0.00 O ATOM 0 HA SER A 8 6.058 14.102 1.097 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.557 16.307 2.554 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.091 14.624 2.702 1.00 0.00 H new ATOM 0 HG SER A 8 5.581 15.271 4.358 1.00 0.00 H new ATOM 77 N ILE A 9 4.570 14.981 -1.170 1.00 0.00 N ATOM 78 CA ILE A 9 3.545 14.822 -2.194 1.00 0.00 C ATOM 79 C ILE A 9 3.854 13.637 -3.102 1.00 0.00 C ATOM 80 O ILE A 9 3.087 12.676 -3.170 1.00 0.00 O ATOM 81 CB ILE A 9 3.408 16.092 -3.056 1.00 0.00 C ATOM 82 CG1 ILE A 9 3.004 17.284 -2.186 1.00 0.00 C ATOM 83 CG2 ILE A 9 2.392 15.872 -4.167 1.00 0.00 C ATOM 84 CD1 ILE A 9 2.345 18.403 -2.962 1.00 0.00 C ATOM 0 H ILE A 9 5.493 15.223 -1.530 1.00 0.00 H new ATOM 0 HA ILE A 9 2.604 14.642 -1.673 1.00 0.00 H new ATOM 0 HB ILE A 9 4.374 16.309 -3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.321 16.941 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.890 17.674 -1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.307 16.778 -4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.718 15.047 -4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.422 15.633 -3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.086 19.214 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.033 18.773 -3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.441 18.029 -3.442 1.00 0.00 H new ATOM 96 N LEU A 10 4.983 13.710 -3.798 1.00 0.00 N ATOM 97 CA LEU A 10 5.397 12.641 -4.701 1.00 0.00 C ATOM 98 C LEU A 10 5.747 11.376 -3.923 1.00 0.00 C ATOM 99 O LEU A 10 5.863 10.293 -4.498 1.00 0.00 O ATOM 100 CB LEU A 10 6.597 13.089 -5.537 1.00 0.00 C ATOM 101 CG LEU A 10 6.273 13.828 -6.836 1.00 0.00 C ATOM 102 CD1 LEU A 10 5.998 15.299 -6.559 1.00 0.00 C ATOM 103 CD2 LEU A 10 7.409 13.675 -7.836 1.00 0.00 C ATOM 0 H LEU A 10 5.629 14.498 -3.755 1.00 0.00 H new ATOM 0 HA LEU A 10 4.563 12.417 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.222 13.736 -4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.192 12.209 -5.782 1.00 0.00 H new ATOM 0 HG LEU A 10 5.375 13.386 -7.268 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.769 15.809 -7.495 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.150 15.389 -5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.877 15.754 -6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.160 14.208 -8.754 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.324 14.089 -7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.558 12.618 -8.059 1.00 0.00 H new ATOM 115 N LYS A 11 5.913 11.520 -2.614 1.00 0.00 N ATOM 116 CA LYS A 11 6.247 10.390 -1.755 1.00 0.00 C ATOM 117 C LYS A 11 5.031 9.495 -1.537 1.00 0.00 C ATOM 118 O LYS A 11 5.149 8.270 -1.510 1.00 0.00 O ATOM 119 CB LYS A 11 6.777 10.885 -0.407 1.00 0.00 C ATOM 120 CG LYS A 11 8.137 11.557 -0.499 1.00 0.00 C ATOM 121 CD LYS A 11 9.265 10.556 -0.317 1.00 0.00 C ATOM 122 CE LYS A 11 9.342 9.584 -1.485 1.00 0.00 C ATOM 123 NZ LYS A 11 8.507 8.373 -1.253 1.00 0.00 N ATOM 0 H LYS A 11 5.822 12.409 -2.123 1.00 0.00 H new ATOM 0 HA LYS A 11 7.023 9.806 -2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.062 11.588 0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.843 10.041 0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.237 12.048 -1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.212 12.334 0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.212 11.087 -0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.115 10.002 0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.012 10.084 -2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.379 9.286 -1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.121 7.568 -1.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.850 8.550 -0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.965 8.155 -2.114 1.00 0.00 H new ATOM 137 N ILE A 12 3.866 10.115 -1.384 1.00 0.00 N ATOM 138 CA ILE A 12 2.629 9.373 -1.171 1.00 0.00 C ATOM 139 C ILE A 12 2.049 8.880 -2.493 1.00 0.00 C ATOM 140 O ILE A 12 1.338 7.877 -2.533 1.00 0.00 O ATOM 141 CB ILE A 12 1.574 10.232 -0.450 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.208 10.971 0.732 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.416 9.364 0.021 1.00 0.00 C ATOM 144 CD1 ILE A 12 1.544 12.294 1.043 1.00 0.00 C ATOM 0 H ILE A 12 3.752 11.128 -1.403 1.00 0.00 H new ATOM 0 HA ILE A 12 2.879 8.517 -0.544 1.00 0.00 H new ATOM 0 HB ILE A 12 1.187 10.971 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.162 10.334 1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.263 11.144 0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.322 9.986 0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.048 8.879 -0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.787 8.605 0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.044 12.762 1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.613 12.949 0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.495 12.126 1.288 1.00 0.00 H new ATOM 156 N GLU A 13 2.360 9.593 -3.571 1.00 0.00 N ATOM 157 CA GLU A 13 1.870 9.227 -4.896 1.00 0.00 C ATOM 158 C GLU A 13 2.363 7.839 -5.294 1.00 0.00 C ATOM 159 O GLU A 13 1.837 7.222 -6.221 1.00 0.00 O ATOM 160 CB GLU A 13 2.321 10.258 -5.933 1.00 0.00 C ATOM 161 CG GLU A 13 1.559 11.571 -5.857 1.00 0.00 C ATOM 162 CD GLU A 13 0.055 11.375 -5.897 1.00 0.00 C ATOM 163 OE1 GLU A 13 -0.453 10.904 -6.936 1.00 0.00 O ATOM 164 OE2 GLU A 13 -0.611 11.695 -4.892 1.00 0.00 O ATOM 0 H GLU A 13 2.948 10.426 -3.554 1.00 0.00 H new ATOM 0 HA GLU A 13 0.781 9.210 -4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.384 10.456 -5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.200 9.835 -6.930 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.830 12.091 -4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.861 12.211 -6.686 1.00 0.00 H new ATOM 171 N LYS A 14 3.379 7.353 -4.587 1.00 0.00 N ATOM 172 CA LYS A 14 3.944 6.039 -4.864 1.00 0.00 C ATOM 173 C LYS A 14 3.293 4.971 -3.990 1.00 0.00 C ATOM 174 O LYS A 14 2.896 3.912 -4.478 1.00 0.00 O ATOM 175 CB LYS A 14 5.456 6.051 -4.629 1.00 0.00 C ATOM 176 CG LYS A 14 6.254 6.534 -5.828 1.00 0.00 C ATOM 177 CD LYS A 14 7.671 6.916 -5.439 1.00 0.00 C ATOM 178 CE LYS A 14 8.466 7.410 -6.638 1.00 0.00 C ATOM 179 NZ LYS A 14 8.790 6.304 -7.582 1.00 0.00 N ATOM 0 H LYS A 14 3.827 7.851 -3.818 1.00 0.00 H new ATOM 0 HA LYS A 14 3.746 5.800 -5.909 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.677 6.690 -3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.783 5.045 -4.367 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.283 5.751 -6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.755 7.393 -6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.642 7.693 -4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.173 6.055 -4.999 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.896 8.178 -7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.389 7.877 -6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.403 6.664 -8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.282 5.544 -7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.911 5.931 -7.995 1.00 0.00 H new ATOM 193 N VAL A 15 3.184 5.256 -2.697 1.00 0.00 N ATOM 194 CA VAL A 15 2.580 4.321 -1.756 1.00 0.00 C ATOM 195 C VAL A 15 1.209 3.861 -2.243 1.00 0.00 C ATOM 196 O VAL A 15 0.727 2.796 -1.857 1.00 0.00 O ATOM 197 CB VAL A 15 2.430 4.949 -0.357 1.00 0.00 C ATOM 198 CG1 VAL A 15 1.737 3.983 0.591 1.00 0.00 C ATOM 199 CG2 VAL A 15 3.788 5.362 0.187 1.00 0.00 C ATOM 0 H VAL A 15 3.506 6.128 -2.277 1.00 0.00 H new ATOM 0 HA VAL A 15 3.248 3.462 -1.691 1.00 0.00 H new ATOM 0 HB VAL A 15 1.811 5.842 -0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.640 4.444 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.747 3.741 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.326 3.070 0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.665 5.804 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.433 4.486 0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.241 6.093 -0.483 1.00 0.00 H new ATOM 209 N LEU A 16 0.588 4.671 -3.093 1.00 0.00 N ATOM 210 CA LEU A 16 -0.727 4.347 -3.635 1.00 0.00 C ATOM 211 C LEU A 16 -0.614 3.814 -5.059 1.00 0.00 C ATOM 212 O LEU A 16 -1.449 3.026 -5.508 1.00 0.00 O ATOM 213 CB LEU A 16 -1.628 5.583 -3.612 1.00 0.00 C ATOM 214 CG LEU A 16 -1.900 6.190 -2.235 1.00 0.00 C ATOM 215 CD1 LEU A 16 -2.554 7.557 -2.373 1.00 0.00 C ATOM 216 CD2 LEU A 16 -2.774 5.260 -1.406 1.00 0.00 C ATOM 0 H LEU A 16 0.973 5.556 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.168 3.570 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.176 6.349 -4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.583 5.320 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.947 6.316 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.740 7.973 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.893 8.222 -2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.499 7.456 -2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.957 5.708 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.724 5.102 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.268 4.303 -1.277 1.00 0.00 H new ATOM 228 N LYS A 17 0.425 4.244 -5.766 1.00 0.00 N ATOM 229 CA LYS A 17 0.652 3.807 -7.138 1.00 0.00 C ATOM 230 C LYS A 17 0.758 2.288 -7.215 1.00 0.00 C ATOM 231 O LYS A 17 -0.164 1.614 -7.674 1.00 0.00 O ATOM 232 CB LYS A 17 1.926 4.447 -7.695 1.00 0.00 C ATOM 233 CG LYS A 17 2.219 4.066 -9.136 1.00 0.00 C ATOM 234 CD LYS A 17 3.201 5.030 -9.780 1.00 0.00 C ATOM 235 CE LYS A 17 3.651 4.538 -11.147 1.00 0.00 C ATOM 236 NZ LYS A 17 4.702 3.489 -11.039 1.00 0.00 N ATOM 0 H LYS A 17 1.124 4.896 -5.411 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.200 4.125 -7.739 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.838 5.531 -7.626 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.771 4.155 -7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.625 3.055 -9.170 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.290 4.056 -9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.737 6.011 -9.880 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.069 5.153 -9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.794 4.139 -11.690 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.034 5.377 -11.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.983 3.179 -11.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.530 3.877 -10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.329 2.677 -10.507 1.00 0.00 H new ATOM 250 N ARG A 18 1.888 1.754 -6.762 1.00 0.00 N ATOM 251 CA ARG A 18 2.114 0.314 -6.780 1.00 0.00 C ATOM 252 C ARG A 18 0.947 -0.427 -6.132 1.00 0.00 C ATOM 253 O ARG A 18 0.463 -1.426 -6.663 1.00 0.00 O ATOM 254 CB ARG A 18 3.417 -0.028 -6.054 1.00 0.00 C ATOM 255 CG ARG A 18 4.654 0.107 -6.926 1.00 0.00 C ATOM 256 CD ARG A 18 4.727 -1.003 -7.964 1.00 0.00 C ATOM 257 NE ARG A 18 5.382 -2.198 -7.440 1.00 0.00 N ATOM 258 CZ ARG A 18 5.593 -3.295 -8.160 1.00 0.00 C ATOM 259 NH1 ARG A 18 5.204 -3.346 -9.426 1.00 0.00 N ATOM 260 NH2 ARG A 18 6.196 -4.343 -7.613 1.00 0.00 N ATOM 0 H ARG A 18 2.661 2.297 -6.378 1.00 0.00 H new ATOM 0 HA ARG A 18 2.192 -0.004 -7.820 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.521 0.624 -5.187 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.357 -1.050 -5.679 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.644 1.075 -7.427 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.546 0.081 -6.300 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.720 -1.257 -8.295 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.270 -0.646 -8.839 1.00 0.00 H new ATOM 0 HE ARG A 18 5.694 -2.191 -6.469 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.741 -2.542 -9.850 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.367 -4.189 -9.976 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.498 -4.307 -6.639 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.358 -5.185 -8.166 1.00 0.00 H new ATOM 274 N MET A 19 0.503 0.070 -4.982 1.00 0.00 N ATOM 275 CA MET A 19 -0.606 -0.545 -4.263 1.00 0.00 C ATOM 276 C MET A 19 -1.738 -0.912 -5.219 1.00 0.00 C ATOM 277 O MET A 19 -2.289 -2.011 -5.150 1.00 0.00 O ATOM 278 CB MET A 19 -1.126 0.400 -3.179 1.00 0.00 C ATOM 279 CG MET A 19 -2.365 -0.116 -2.464 1.00 0.00 C ATOM 280 SD MET A 19 -3.867 0.092 -3.439 1.00 0.00 S ATOM 281 CE MET A 19 -4.176 1.843 -3.213 1.00 0.00 C ATOM 0 H MET A 19 0.894 0.896 -4.529 1.00 0.00 H new ATOM 0 HA MET A 19 -0.239 -1.458 -3.794 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.337 0.567 -2.446 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.353 1.366 -3.629 1.00 0.00 H new ATOM 0 HG2 MET A 19 -2.231 -1.172 -2.231 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.477 0.409 -1.515 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.176 2.085 -3.572 1.00 0.00 H new ATOM 0 HE2 MET A 19 -4.100 2.092 -2.155 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.440 2.418 -3.775 1.00 0.00 H new ATOM 291 N ARG A 20 -2.078 0.015 -6.109 1.00 0.00 N ATOM 292 CA ARG A 20 -3.144 -0.211 -7.077 1.00 0.00 C ATOM 293 C ARG A 20 -2.801 -1.374 -8.003 1.00 0.00 C ATOM 294 O ARG A 20 -3.599 -2.292 -8.185 1.00 0.00 O ATOM 295 CB ARG A 20 -3.392 1.054 -7.900 1.00 0.00 C ATOM 296 CG ARG A 20 -4.358 2.029 -7.244 1.00 0.00 C ATOM 297 CD ARG A 20 -5.798 1.728 -7.627 1.00 0.00 C ATOM 298 NE ARG A 20 -6.070 2.048 -9.026 1.00 0.00 N ATOM 299 CZ ARG A 20 -7.277 1.972 -9.576 1.00 0.00 C ATOM 300 NH1 ARG A 20 -8.318 1.589 -8.849 1.00 0.00 N ATOM 301 NH2 ARG A 20 -7.445 2.281 -10.856 1.00 0.00 N ATOM 0 H ARG A 20 -1.631 0.929 -6.179 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.051 -0.462 -6.528 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.441 1.558 -8.071 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.783 0.771 -8.877 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.250 1.977 -6.161 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.107 3.047 -7.541 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.008 0.673 -7.449 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.470 2.299 -6.987 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.291 2.346 -9.613 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.193 1.352 -7.865 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.243 1.532 -9.274 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.647 2.577 -11.418 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.372 2.222 -11.277 1.00 0.00 H new ATOM 315 N GLU A 21 -1.607 -1.326 -8.587 1.00 0.00 N ATOM 316 CA GLU A 21 -1.159 -2.374 -9.496 1.00 0.00 C ATOM 317 C GLU A 21 -1.017 -3.706 -8.763 1.00 0.00 C ATOM 318 O GLU A 21 -1.741 -4.661 -9.045 1.00 0.00 O ATOM 319 CB GLU A 21 0.176 -1.988 -10.137 1.00 0.00 C ATOM 320 CG GLU A 21 0.027 -1.180 -11.414 1.00 0.00 C ATOM 321 CD GLU A 21 -0.076 -2.054 -12.649 1.00 0.00 C ATOM 322 OE1 GLU A 21 0.439 -3.191 -12.616 1.00 0.00 O ATOM 323 OE2 GLU A 21 -0.671 -1.600 -13.649 1.00 0.00 O ATOM 0 H GLU A 21 -0.934 -0.573 -8.447 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.910 -2.487 -10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.761 -1.413 -9.419 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.740 -2.895 -10.355 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.862 -0.554 -11.342 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.881 -0.510 -11.518 1.00 0.00 H new ATOM 330 N ILE A 22 -0.081 -3.759 -7.821 1.00 0.00 N ATOM 331 CA ILE A 22 0.154 -4.972 -7.048 1.00 0.00 C ATOM 332 C ILE A 22 -1.152 -5.704 -6.762 1.00 0.00 C ATOM 333 O ILE A 22 -1.192 -6.934 -6.724 1.00 0.00 O ATOM 334 CB ILE A 22 0.859 -4.661 -5.714 1.00 0.00 C ATOM 335 CG1 ILE A 22 2.274 -4.138 -5.969 1.00 0.00 C ATOM 336 CG2 ILE A 22 0.897 -5.900 -4.833 1.00 0.00 C ATOM 337 CD1 ILE A 22 2.886 -3.441 -4.774 1.00 0.00 C ATOM 0 H ILE A 22 0.526 -2.977 -7.575 1.00 0.00 H new ATOM 0 HA ILE A 22 0.800 -5.610 -7.651 1.00 0.00 H new ATOM 0 HB ILE A 22 0.294 -3.887 -5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.914 -4.971 -6.260 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.250 -3.445 -6.810 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.398 -5.664 -3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.121 -6.232 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.441 -6.694 -5.345 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.889 -3.097 -5.028 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.269 -2.587 -4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.942 -4.136 -3.937 1.00 0.00 H new ATOM 349 N LYS A 23 -2.221 -4.940 -6.561 1.00 0.00 N ATOM 350 CA LYS A 23 -3.531 -5.514 -6.281 1.00 0.00 C ATOM 351 C LYS A 23 -4.058 -6.281 -7.490 1.00 0.00 C ATOM 352 O LYS A 23 -4.325 -7.479 -7.408 1.00 0.00 O ATOM 353 CB LYS A 23 -4.520 -4.414 -5.890 1.00 0.00 C ATOM 354 CG LYS A 23 -5.973 -4.849 -5.962 1.00 0.00 C ATOM 355 CD LYS A 23 -6.197 -6.167 -5.240 1.00 0.00 C ATOM 356 CE LYS A 23 -7.614 -6.270 -4.696 1.00 0.00 C ATOM 357 NZ LYS A 23 -7.846 -5.323 -3.570 1.00 0.00 N ATOM 0 H LYS A 23 -2.205 -3.920 -6.587 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.425 -6.210 -5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.299 -4.082 -4.876 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.374 -3.556 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.606 -4.079 -5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.272 -4.949 -7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.007 -6.995 -5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.484 -6.260 -4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.326 -6.065 -5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.800 -7.289 -4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.838 -5.012 -3.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.638 -5.798 -2.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.224 -4.497 -3.677 1.00 0.00 H new ATOM 371 N ASN A 24 -4.205 -5.582 -8.610 1.00 0.00 N ATOM 372 CA ASN A 24 -4.699 -6.199 -9.836 1.00 0.00 C ATOM 373 C ASN A 24 -3.902 -7.454 -10.174 1.00 0.00 C ATOM 374 O ASN A 24 -4.470 -8.479 -10.551 1.00 0.00 O ATOM 375 CB ASN A 24 -4.623 -5.205 -10.998 1.00 0.00 C ATOM 376 CG ASN A 24 -4.988 -5.840 -12.326 1.00 0.00 C ATOM 377 OD1 ASN A 24 -5.961 -6.588 -12.423 1.00 0.00 O ATOM 378 ND2 ASN A 24 -4.206 -5.543 -13.358 1.00 0.00 N ATOM 0 H ASN A 24 -3.989 -4.589 -8.695 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.739 -6.483 -9.676 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.294 -4.369 -10.802 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.614 -4.797 -11.058 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.402 -5.940 -14.277 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.410 -4.918 -13.231 1.00 0.00 H new ATOM 385 N GLU A 25 -2.583 -7.368 -10.034 1.00 0.00 N ATOM 386 CA GLU A 25 -1.708 -8.497 -10.325 1.00 0.00 C ATOM 387 C GLU A 25 -2.176 -9.751 -9.591 1.00 0.00 C ATOM 388 O GLU A 25 -2.057 -10.864 -10.103 1.00 0.00 O ATOM 389 CB GLU A 25 -0.267 -8.169 -9.929 1.00 0.00 C ATOM 390 CG GLU A 25 0.709 -9.306 -10.188 1.00 0.00 C ATOM 391 CD GLU A 25 0.677 -9.785 -11.626 1.00 0.00 C ATOM 392 OE1 GLU A 25 -0.312 -10.444 -12.011 1.00 0.00 O ATOM 393 OE2 GLU A 25 1.640 -9.501 -12.369 1.00 0.00 O ATOM 0 H GLU A 25 -2.097 -6.528 -9.721 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.748 -8.688 -11.397 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.061 -7.287 -10.480 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.240 -7.912 -8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.718 -8.977 -9.941 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.474 -10.139 -9.526 1.00 0.00 H new ATOM 400 N LEU A 26 -2.709 -9.560 -8.389 1.00 0.00 N ATOM 401 CA LEU A 26 -3.195 -10.674 -7.583 1.00 0.00 C ATOM 402 C LEU A 26 -4.564 -11.141 -8.069 1.00 0.00 C ATOM 403 O LEU A 26 -4.908 -12.318 -7.952 1.00 0.00 O ATOM 404 CB LEU A 26 -3.275 -10.268 -6.111 1.00 0.00 C ATOM 405 CG LEU A 26 -4.188 -11.120 -5.227 1.00 0.00 C ATOM 406 CD1 LEU A 26 -3.571 -12.490 -4.988 1.00 0.00 C ATOM 407 CD2 LEU A 26 -4.459 -10.418 -3.905 1.00 0.00 C ATOM 0 H LEU A 26 -2.815 -8.645 -7.952 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.491 -11.500 -7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.269 -10.295 -5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.614 -9.233 -6.058 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.138 -11.256 -5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.234 -13.083 -4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.429 -12.997 -5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.607 -12.374 -4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.110 -11.039 -3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.517 -10.251 -3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.944 -9.460 -4.094 1.00 0.00 H new ATOM 419 N LEU A 27 -5.340 -10.213 -8.616 1.00 0.00 N ATOM 420 CA LEU A 27 -6.671 -10.529 -9.123 1.00 0.00 C ATOM 421 C LEU A 27 -6.587 -11.435 -10.346 1.00 0.00 C ATOM 422 O LEU A 27 -7.247 -12.472 -10.407 1.00 0.00 O ATOM 423 CB LEU A 27 -7.422 -9.244 -9.476 1.00 0.00 C ATOM 424 CG LEU A 27 -8.022 -8.472 -8.300 1.00 0.00 C ATOM 425 CD1 LEU A 27 -8.660 -7.177 -8.781 1.00 0.00 C ATOM 426 CD2 LEU A 27 -9.040 -9.329 -7.563 1.00 0.00 C ATOM 0 H LEU A 27 -5.071 -9.235 -8.720 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.215 -11.057 -8.340 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.739 -8.582 -10.008 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.226 -9.495 -10.168 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.219 -8.221 -7.607 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.082 -6.641 -7.930 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.905 -6.556 -9.263 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.452 -7.405 -9.495 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.456 -8.763 -6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.841 -9.611 -8.246 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.553 -10.228 -7.184 1.00 0.00 H new ATOM 438 N GLN A 28 -5.771 -11.037 -11.317 1.00 0.00 N ATOM 439 CA GLN A 28 -5.599 -11.815 -12.538 1.00 0.00 C ATOM 440 C GLN A 28 -4.879 -13.128 -12.250 1.00 0.00 C ATOM 441 O GLN A 28 -5.296 -14.190 -12.708 1.00 0.00 O ATOM 442 CB GLN A 28 -4.819 -11.008 -13.576 1.00 0.00 C ATOM 443 CG GLN A 28 -3.366 -10.771 -13.197 1.00 0.00 C ATOM 444 CD GLN A 28 -2.612 -9.974 -14.244 1.00 0.00 C ATOM 445 OE1 GLN A 28 -2.707 -8.748 -14.293 1.00 0.00 O ATOM 446 NE2 GLN A 28 -1.858 -10.669 -15.087 1.00 0.00 N ATOM 0 H GLN A 28 -5.219 -10.180 -11.282 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.588 -12.044 -12.935 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.856 -11.530 -14.532 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.310 -10.045 -13.719 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.324 -10.243 -12.244 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.871 -11.731 -13.051 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.809 -11.685 -15.009 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.327 -10.187 -15.813 1.00 0.00 H new ATOM 455 N ALA A 29 -3.793 -13.046 -11.487 1.00 0.00 N ATOM 456 CA ALA A 29 -3.015 -14.228 -11.138 1.00 0.00 C ATOM 457 C ALA A 29 -3.920 -15.434 -10.909 1.00 0.00 C ATOM 458 O ALA A 29 -4.957 -15.327 -10.256 1.00 0.00 O ATOM 459 CB ALA A 29 -2.171 -13.958 -9.901 1.00 0.00 C ATOM 0 H ALA A 29 -3.433 -12.174 -11.099 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.354 -14.456 -11.974 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.595 -14.849 -9.652 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.490 -13.130 -10.099 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.822 -13.701 -9.065 1.00 0.00 H new ATOM 465 N GLN A 30 -3.521 -16.579 -11.452 1.00 0.00 N ATOM 466 CA GLN A 30 -4.297 -17.804 -11.308 1.00 0.00 C ATOM 467 C GLN A 30 -3.834 -18.603 -10.094 1.00 0.00 C ATOM 468 O GLN A 30 -4.642 -19.209 -9.392 1.00 0.00 O ATOM 469 CB GLN A 30 -4.182 -18.659 -12.572 1.00 0.00 C ATOM 470 CG GLN A 30 -4.852 -18.042 -13.787 1.00 0.00 C ATOM 471 CD GLN A 30 -6.236 -17.504 -13.480 1.00 0.00 C ATOM 472 OE1 GLN A 30 -7.208 -18.401 -13.361 1.00 0.00 O flip ATOM 473 NE2 GLN A 30 -6.430 -16.294 -13.350 1.00 0.00 N flip ATOM 0 H GLN A 30 -2.664 -16.684 -11.996 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.341 -17.527 -11.160 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.128 -18.824 -12.794 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.625 -19.637 -12.381 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.229 -17.234 -14.170 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.924 -18.790 -14.577 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.654 -15.639 -13.450 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.366 -15.947 -13.143 1.00 0.00 H new ATOM 482 N ASN A 31 -2.526 -18.602 -9.855 1.00 0.00 N ATOM 483 CA ASN A 31 -1.955 -19.327 -8.727 1.00 0.00 C ATOM 484 C ASN A 31 -1.229 -18.376 -7.780 1.00 0.00 C ATOM 485 O ASN A 31 -0.002 -18.381 -7.675 1.00 0.00 O ATOM 486 CB ASN A 31 -0.989 -20.405 -9.224 1.00 0.00 C ATOM 487 CG ASN A 31 -0.888 -21.576 -8.266 1.00 0.00 C ATOM 488 OD1 ASN A 31 -1.712 -21.728 -7.364 1.00 0.00 O ATOM 489 ND2 ASN A 31 0.128 -22.411 -8.457 1.00 0.00 N ATOM 0 H ASN A 31 -1.842 -18.107 -10.428 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.771 -19.802 -8.182 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.319 -20.764 -10.199 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.001 -19.967 -9.364 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.248 -23.217 -7.843 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.787 -22.246 -9.218 1.00 0.00 H new ATOM 496 N PRO A 32 -2.004 -17.542 -7.071 1.00 0.00 N ATOM 497 CA PRO A 32 -1.458 -16.570 -6.119 1.00 0.00 C ATOM 498 C PRO A 32 -0.875 -17.239 -4.879 1.00 0.00 C ATOM 499 O PRO A 32 -0.406 -16.566 -3.960 1.00 0.00 O ATOM 500 CB PRO A 32 -2.672 -15.717 -5.746 1.00 0.00 C ATOM 501 CG PRO A 32 -3.845 -16.605 -5.981 1.00 0.00 C ATOM 502 CD PRO A 32 -3.474 -17.482 -7.144 1.00 0.00 C ATOM 0 HA PRO A 32 -0.635 -15.998 -6.547 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.623 -15.392 -4.707 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.727 -14.817 -6.359 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.065 -17.203 -5.096 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.738 -16.021 -6.202 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.921 -18.472 -7.059 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.812 -17.059 -8.090 1.00 0.00 H new ATOM 510 N SER A 33 -0.907 -18.568 -4.858 1.00 0.00 N ATOM 511 CA SER A 33 -0.385 -19.328 -3.729 1.00 0.00 C ATOM 512 C SER A 33 1.047 -18.910 -3.407 1.00 0.00 C ATOM 513 O SER A 33 1.562 -19.202 -2.330 1.00 0.00 O ATOM 514 CB SER A 33 -0.434 -20.827 -4.029 1.00 0.00 C ATOM 515 OG SER A 33 -1.743 -21.341 -3.848 1.00 0.00 O ATOM 0 H SER A 33 -1.289 -19.140 -5.611 1.00 0.00 H new ATOM 0 HA SER A 33 -1.011 -19.117 -2.862 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.108 -21.007 -5.053 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.261 -21.355 -3.376 1.00 0.00 H new ATOM 0 HG SER A 33 -1.748 -22.300 -4.048 1.00 0.00 H new ATOM 521 N GLU A 34 1.681 -18.220 -4.351 1.00 0.00 N ATOM 522 CA GLU A 34 3.053 -17.762 -4.168 1.00 0.00 C ATOM 523 C GLU A 34 3.108 -16.241 -4.060 1.00 0.00 C ATOM 524 O GLU A 34 3.911 -15.689 -3.306 1.00 0.00 O ATOM 525 CB GLU A 34 3.930 -18.233 -5.330 1.00 0.00 C ATOM 526 CG GLU A 34 3.362 -17.897 -6.697 1.00 0.00 C ATOM 527 CD GLU A 34 4.317 -18.240 -7.826 1.00 0.00 C ATOM 528 OE1 GLU A 34 5.524 -17.957 -7.687 1.00 0.00 O ATOM 529 OE2 GLU A 34 3.855 -18.789 -8.848 1.00 0.00 O ATOM 0 H GLU A 34 1.267 -17.967 -5.248 1.00 0.00 H new ATOM 0 HA GLU A 34 3.431 -18.190 -3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.917 -17.781 -5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.065 -19.312 -5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.426 -18.438 -6.841 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.125 -16.834 -6.737 1.00 0.00 H new ATOM 536 N LEU A 35 2.249 -15.568 -4.818 1.00 0.00 N ATOM 537 CA LEU A 35 2.199 -14.111 -4.808 1.00 0.00 C ATOM 538 C LEU A 35 1.883 -13.586 -3.411 1.00 0.00 C ATOM 539 O LEU A 35 2.224 -12.452 -3.071 1.00 0.00 O ATOM 540 CB LEU A 35 1.150 -13.610 -5.803 1.00 0.00 C ATOM 541 CG LEU A 35 1.637 -13.390 -7.236 1.00 0.00 C ATOM 542 CD1 LEU A 35 0.474 -13.017 -8.142 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.712 -12.314 -7.276 1.00 0.00 C ATOM 0 H LEU A 35 1.578 -16.009 -5.447 1.00 0.00 H new ATOM 0 HA LEU A 35 3.179 -13.737 -5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.328 -14.326 -5.825 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.744 -12.670 -5.430 1.00 0.00 H new ATOM 0 HG LEU A 35 2.071 -14.322 -7.599 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.839 -12.864 -9.158 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.263 -13.820 -8.138 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.011 -12.099 -7.781 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.046 -12.172 -8.304 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.304 -11.378 -6.894 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.557 -12.621 -6.659 1.00 0.00 H new ATOM 555 N TYR A 36 1.232 -14.418 -2.606 1.00 0.00 N ATOM 556 CA TYR A 36 0.870 -14.037 -1.246 1.00 0.00 C ATOM 557 C TYR A 36 2.067 -13.447 -0.508 1.00 0.00 C ATOM 558 O TYR A 36 1.976 -12.373 0.089 1.00 0.00 O ATOM 559 CB TYR A 36 0.332 -15.248 -0.482 1.00 0.00 C ATOM 560 CG TYR A 36 -1.058 -15.664 -0.906 1.00 0.00 C ATOM 561 CD1 TYR A 36 -2.089 -14.736 -0.986 1.00 0.00 C ATOM 562 CD2 TYR A 36 -1.341 -16.985 -1.229 1.00 0.00 C ATOM 563 CE1 TYR A 36 -3.360 -15.111 -1.373 1.00 0.00 C ATOM 564 CE2 TYR A 36 -2.609 -17.370 -1.619 1.00 0.00 C ATOM 565 CZ TYR A 36 -3.616 -16.430 -1.689 1.00 0.00 C ATOM 566 OH TYR A 36 -4.881 -16.808 -2.075 1.00 0.00 O ATOM 0 H TYR A 36 0.944 -15.360 -2.871 1.00 0.00 H new ATOM 0 HA TYR A 36 0.092 -13.276 -1.304 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.012 -16.088 -0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.324 -15.020 0.584 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.893 -13.703 -0.741 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.556 -17.724 -1.174 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.150 -14.376 -1.428 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.811 -18.401 -1.868 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.892 -17.770 -2.263 1.00 0.00 H new ATOM 576 N LEU A 37 3.190 -14.155 -0.553 1.00 0.00 N ATOM 577 CA LEU A 37 4.408 -13.702 0.109 1.00 0.00 C ATOM 578 C LEU A 37 4.937 -12.425 -0.535 1.00 0.00 C ATOM 579 O LEU A 37 5.176 -11.427 0.144 1.00 0.00 O ATOM 580 CB LEU A 37 5.477 -14.795 0.057 1.00 0.00 C ATOM 581 CG LEU A 37 6.913 -14.343 0.328 1.00 0.00 C ATOM 582 CD1 LEU A 37 7.172 -14.255 1.824 1.00 0.00 C ATOM 583 CD2 LEU A 37 7.904 -15.290 -0.332 1.00 0.00 C ATOM 0 H LEU A 37 3.282 -15.046 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 37 4.167 -13.487 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.217 -15.565 0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.444 -15.261 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 37 7.048 -13.351 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.199 -13.932 1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.485 -13.536 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.018 -15.234 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.920 -14.953 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.768 -16.295 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.734 -15.302 -1.409 1.00 0.00 H new ATOM 595 N SER A 38 5.115 -12.464 -1.853 1.00 0.00 N ATOM 596 CA SER A 38 5.617 -11.310 -2.590 1.00 0.00 C ATOM 597 C SER A 38 4.749 -10.082 -2.333 1.00 0.00 C ATOM 598 O SER A 38 5.160 -9.152 -1.639 1.00 0.00 O ATOM 599 CB SER A 38 5.659 -11.614 -4.088 1.00 0.00 C ATOM 600 OG SER A 38 6.213 -10.531 -4.814 1.00 0.00 O ATOM 0 H SER A 38 4.919 -13.281 -2.431 1.00 0.00 H new ATOM 0 HA SER A 38 6.628 -11.099 -2.241 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.250 -12.513 -4.263 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.651 -11.820 -4.449 1.00 0.00 H new ATOM 0 HG SER A 38 6.230 -10.752 -5.769 1.00 0.00 H new ATOM 606 N SER A 39 3.546 -10.086 -2.898 1.00 0.00 N ATOM 607 CA SER A 39 2.620 -8.971 -2.734 1.00 0.00 C ATOM 608 C SER A 39 2.746 -8.361 -1.342 1.00 0.00 C ATOM 609 O SER A 39 3.134 -7.203 -1.191 1.00 0.00 O ATOM 610 CB SER A 39 1.182 -9.436 -2.973 1.00 0.00 C ATOM 611 OG SER A 39 0.906 -9.550 -4.358 1.00 0.00 O ATOM 0 H SER A 39 3.189 -10.849 -3.473 1.00 0.00 H new ATOM 0 HA SER A 39 2.874 -8.208 -3.470 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.022 -10.398 -2.487 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.488 -8.730 -2.518 1.00 0.00 H new ATOM 0 HG SER A 39 -0.018 -9.850 -4.484 1.00 0.00 H new ATOM 617 N LYS A 40 2.413 -9.150 -0.325 1.00 0.00 N ATOM 618 CA LYS A 40 2.488 -8.691 1.056 1.00 0.00 C ATOM 619 C LYS A 40 3.781 -7.921 1.304 1.00 0.00 C ATOM 620 O LYS A 40 3.758 -6.728 1.607 1.00 0.00 O ATOM 621 CB LYS A 40 2.398 -9.880 2.016 1.00 0.00 C ATOM 622 CG LYS A 40 1.961 -9.497 3.419 1.00 0.00 C ATOM 623 CD LYS A 40 1.237 -10.640 4.109 1.00 0.00 C ATOM 624 CE LYS A 40 1.326 -10.524 5.623 1.00 0.00 C ATOM 625 NZ LYS A 40 2.615 -11.058 6.145 1.00 0.00 N ATOM 0 H LYS A 40 2.088 -10.111 -0.432 1.00 0.00 H new ATOM 0 HA LYS A 40 1.647 -8.022 1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.696 -10.610 1.612 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.371 -10.369 2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.833 -9.210 4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.307 -8.626 3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.190 -10.646 3.805 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.667 -11.590 3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.221 -9.479 5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.497 -11.066 6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.637 -10.961 7.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.704 -12.062 5.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.405 -10.524 5.730 1.00 0.00 H new ATOM 639 N THR A 41 4.910 -8.611 1.172 1.00 0.00 N ATOM 640 CA THR A 41 6.213 -7.992 1.382 1.00 0.00 C ATOM 641 C THR A 41 6.269 -6.602 0.756 1.00 0.00 C ATOM 642 O THR A 41 6.460 -5.606 1.453 1.00 0.00 O ATOM 643 CB THR A 41 7.346 -8.853 0.791 1.00 0.00 C ATOM 644 OG1 THR A 41 7.279 -10.181 1.323 1.00 0.00 O ATOM 645 CG2 THR A 41 8.706 -8.245 1.100 1.00 0.00 C ATOM 0 H THR A 41 4.948 -9.599 0.921 1.00 0.00 H new ATOM 0 HA THR A 41 6.353 -7.909 2.460 1.00 0.00 H new ATOM 0 HB THR A 41 7.220 -8.888 -0.291 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.577 -10.684 0.860 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.490 -8.870 0.673 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.764 -7.245 0.669 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.840 -8.183 2.180 1.00 0.00 H new ATOM 653 N GLU A 42 6.099 -6.544 -0.562 1.00 0.00 N ATOM 654 CA GLU A 42 6.130 -5.275 -1.279 1.00 0.00 C ATOM 655 C GLU A 42 5.279 -4.227 -0.568 1.00 0.00 C ATOM 656 O GLU A 42 5.763 -3.147 -0.223 1.00 0.00 O ATOM 657 CB GLU A 42 5.633 -5.463 -2.714 1.00 0.00 C ATOM 658 CG GLU A 42 6.246 -4.485 -3.702 1.00 0.00 C ATOM 659 CD GLU A 42 7.759 -4.435 -3.613 1.00 0.00 C ATOM 660 OE1 GLU A 42 8.394 -5.505 -3.718 1.00 0.00 O ATOM 661 OE2 GLU A 42 8.306 -3.326 -3.438 1.00 0.00 O ATOM 0 H GLU A 42 5.939 -7.360 -1.153 1.00 0.00 H new ATOM 0 HA GLU A 42 7.162 -4.925 -1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.856 -6.480 -3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.549 -5.353 -2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.955 -4.766 -4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.842 -3.489 -3.519 1.00 0.00 H new ATOM 668 N LEU A 43 4.009 -4.551 -0.351 1.00 0.00 N ATOM 669 CA LEU A 43 3.090 -3.638 0.318 1.00 0.00 C ATOM 670 C LEU A 43 3.722 -3.056 1.579 1.00 0.00 C ATOM 671 O LEU A 43 3.842 -1.839 1.718 1.00 0.00 O ATOM 672 CB LEU A 43 1.790 -4.362 0.674 1.00 0.00 C ATOM 673 CG LEU A 43 0.790 -4.544 -0.468 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.391 -5.388 -0.014 1.00 0.00 C ATOM 675 CD2 LEU A 43 0.314 -3.192 -0.981 1.00 0.00 C ATOM 0 H LEU A 43 3.592 -5.440 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 43 2.868 -2.819 -0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.042 -5.346 1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.299 -3.812 1.476 1.00 0.00 H new ATOM 0 HG LEU A 43 1.291 -5.065 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.092 -5.507 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.037 -6.368 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.892 -4.895 0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.397 -3.341 -1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.169 -2.645 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.167 -2.620 -1.346 1.00 0.00 H new ATOM 687 N GLN A 44 4.125 -3.933 2.492 1.00 0.00 N ATOM 688 CA GLN A 44 4.746 -3.506 3.740 1.00 0.00 C ATOM 689 C GLN A 44 5.792 -2.425 3.486 1.00 0.00 C ATOM 690 O GLN A 44 5.867 -1.436 4.213 1.00 0.00 O ATOM 691 CB GLN A 44 5.391 -4.698 4.449 1.00 0.00 C ATOM 692 CG GLN A 44 4.397 -5.775 4.852 1.00 0.00 C ATOM 693 CD GLN A 44 5.064 -6.972 5.503 1.00 0.00 C ATOM 694 OE1 GLN A 44 5.777 -7.732 4.847 1.00 0.00 O ATOM 695 NE2 GLN A 44 4.837 -7.145 6.800 1.00 0.00 N ATOM 0 H GLN A 44 4.033 -4.944 2.391 1.00 0.00 H new ATOM 0 HA GLN A 44 3.967 -3.090 4.379 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.144 -5.136 3.794 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.911 -4.343 5.339 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.667 -5.351 5.542 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.848 -6.105 3.970 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.239 -6.491 7.305 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.260 -7.932 7.291 1.00 0.00 H new ATOM 704 N GLY A 45 6.599 -2.622 2.447 1.00 0.00 N ATOM 705 CA GLY A 45 7.631 -1.657 2.115 1.00 0.00 C ATOM 706 C GLY A 45 7.060 -0.294 1.775 1.00 0.00 C ATOM 707 O GLY A 45 7.464 0.718 2.350 1.00 0.00 O ATOM 0 H GLY A 45 6.556 -3.433 1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.318 -1.561 2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.211 -2.026 1.269 1.00 0.00 H new ATOM 711 N LEU A 46 6.120 -0.265 0.837 1.00 0.00 N ATOM 712 CA LEU A 46 5.494 0.985 0.419 1.00 0.00 C ATOM 713 C LEU A 46 5.151 1.852 1.627 1.00 0.00 C ATOM 714 O LEU A 46 5.563 3.009 1.708 1.00 0.00 O ATOM 715 CB LEU A 46 4.230 0.699 -0.393 1.00 0.00 C ATOM 716 CG LEU A 46 4.447 0.088 -1.779 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.114 -0.149 -2.471 1.00 0.00 C ATOM 718 CD2 LEU A 46 5.336 0.988 -2.624 1.00 0.00 C ATOM 0 H LEU A 46 5.774 -1.093 0.351 1.00 0.00 H new ATOM 0 HA LEU A 46 6.204 1.528 -0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.596 0.026 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.679 1.632 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 46 4.947 -0.873 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.287 -0.584 -3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.510 -0.832 -1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.587 0.799 -2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.480 0.538 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.863 1.964 -2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.303 1.108 -2.135 1.00 0.00 H new ATOM 730 N ILE A 47 4.396 1.284 2.561 1.00 0.00 N ATOM 731 CA ILE A 47 4.000 2.005 3.765 1.00 0.00 C ATOM 732 C ILE A 47 5.187 2.740 4.379 1.00 0.00 C ATOM 733 O ILE A 47 5.051 3.864 4.860 1.00 0.00 O ATOM 734 CB ILE A 47 3.399 1.054 4.816 1.00 0.00 C ATOM 735 CG1 ILE A 47 2.178 0.330 4.244 1.00 0.00 C ATOM 736 CG2 ILE A 47 3.022 1.825 6.073 1.00 0.00 C ATOM 737 CD1 ILE A 47 1.714 -0.835 5.090 1.00 0.00 C ATOM 0 H ILE A 47 4.046 0.327 2.508 1.00 0.00 H new ATOM 0 HA ILE A 47 3.242 2.729 3.467 1.00 0.00 H new ATOM 0 HB ILE A 47 4.149 0.308 5.080 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.359 1.042 4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.415 -0.030 3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.598 1.139 6.807 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.911 2.299 6.490 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.286 2.590 5.824 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.846 -1.300 4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.517 -1.567 5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.444 -0.478 6.084 1.00 0.00 H new ATOM 749 N GLY A 48 6.349 2.098 4.359 1.00 0.00 N ATOM 750 CA GLY A 48 7.544 2.706 4.916 1.00 0.00 C ATOM 751 C GLY A 48 7.798 4.095 4.364 1.00 0.00 C ATOM 752 O GLY A 48 8.292 4.970 5.073 1.00 0.00 O ATOM 0 H GLY A 48 6.486 1.166 3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.448 2.761 6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.404 2.071 4.704 1.00 0.00 H new ATOM 756 N GLN A 49 7.460 4.296 3.094 1.00 0.00 N ATOM 757 CA GLN A 49 7.657 5.588 2.447 1.00 0.00 C ATOM 758 C GLN A 49 6.819 6.668 3.122 1.00 0.00 C ATOM 759 O GLN A 49 7.116 7.858 3.012 1.00 0.00 O ATOM 760 CB GLN A 49 7.296 5.499 0.963 1.00 0.00 C ATOM 761 CG GLN A 49 8.346 4.789 0.123 1.00 0.00 C ATOM 762 CD GLN A 49 8.067 4.885 -1.364 1.00 0.00 C ATOM 763 OE1 GLN A 49 6.841 4.556 -1.759 1.00 0.00 O flip ATOM 764 NE2 GLN A 49 8.941 5.251 -2.150 1.00 0.00 N flip ATOM 0 H GLN A 49 7.049 3.581 2.493 1.00 0.00 H new ATOM 0 HA GLN A 49 8.709 5.857 2.543 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.345 4.976 0.860 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.150 6.506 0.572 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.325 5.219 0.333 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.389 3.739 0.414 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.869 5.494 -1.804 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.737 5.311 -3.148 1.00 0.00 H new ATOM 773 N LEU A 50 5.771 6.246 3.820 1.00 0.00 N ATOM 774 CA LEU A 50 4.889 7.179 4.515 1.00 0.00 C ATOM 775 C LEU A 50 5.515 7.650 5.823 1.00 0.00 C ATOM 776 O LEU A 50 5.101 8.659 6.394 1.00 0.00 O ATOM 777 CB LEU A 50 3.536 6.521 4.792 1.00 0.00 C ATOM 778 CG LEU A 50 2.664 6.239 3.568 1.00 0.00 C ATOM 779 CD1 LEU A 50 1.268 5.807 3.994 1.00 0.00 C ATOM 780 CD2 LEU A 50 2.593 7.464 2.669 1.00 0.00 C ATOM 0 H LEU A 50 5.511 5.265 3.920 1.00 0.00 H new ATOM 0 HA LEU A 50 4.740 8.047 3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.712 5.580 5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.975 7.162 5.473 1.00 0.00 H new ATOM 0 HG LEU A 50 3.118 5.425 3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.662 5.611 3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.335 4.901 4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.805 6.600 4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.968 7.244 1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.164 8.298 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.596 7.729 2.335 1.00 0.00 H new ATOM 792 N ASP A 51 6.517 6.914 6.292 1.00 0.00 N ATOM 793 CA ASP A 51 7.204 7.259 7.531 1.00 0.00 C ATOM 794 C ASP A 51 7.824 8.650 7.441 1.00 0.00 C ATOM 795 O ASP A 51 7.612 9.491 8.313 1.00 0.00 O ATOM 796 CB ASP A 51 8.284 6.224 7.845 1.00 0.00 C ATOM 797 CG ASP A 51 7.733 4.813 7.916 1.00 0.00 C ATOM 798 OD1 ASP A 51 6.551 4.655 8.286 1.00 0.00 O ATOM 799 OD2 ASP A 51 8.484 3.867 7.599 1.00 0.00 O ATOM 0 H ASP A 51 6.871 6.075 5.833 1.00 0.00 H new ATOM 0 HA ASP A 51 6.469 7.261 8.336 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.060 6.270 7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.757 6.474 8.795 1.00 0.00 H new ATOM 804 N GLU A 52 8.591 8.881 6.380 1.00 0.00 N ATOM 805 CA GLU A 52 9.244 10.170 6.179 1.00 0.00 C ATOM 806 C GLU A 52 8.235 11.228 5.741 1.00 0.00 C ATOM 807 O GLU A 52 8.516 12.426 5.786 1.00 0.00 O ATOM 808 CB GLU A 52 10.354 10.045 5.134 1.00 0.00 C ATOM 809 CG GLU A 52 9.852 10.111 3.701 1.00 0.00 C ATOM 810 CD GLU A 52 9.432 11.510 3.293 1.00 0.00 C ATOM 811 OE1 GLU A 52 10.239 12.446 3.466 1.00 0.00 O ATOM 812 OE2 GLU A 52 8.296 11.668 2.800 1.00 0.00 O ATOM 0 H GLU A 52 8.775 8.195 5.648 1.00 0.00 H new ATOM 0 HA GLU A 52 9.681 10.480 7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.081 10.841 5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.877 9.101 5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.636 9.761 3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.006 9.433 3.585 1.00 0.00 H new ATOM 819 N VAL A 53 7.058 10.776 5.318 1.00 0.00 N ATOM 820 CA VAL A 53 6.006 11.682 4.874 1.00 0.00 C ATOM 821 C VAL A 53 5.242 12.261 6.059 1.00 0.00 C ATOM 822 O VAL A 53 4.374 11.603 6.632 1.00 0.00 O ATOM 823 CB VAL A 53 5.014 10.973 3.933 1.00 0.00 C ATOM 824 CG1 VAL A 53 3.962 11.950 3.431 1.00 0.00 C ATOM 825 CG2 VAL A 53 5.752 10.326 2.771 1.00 0.00 C ATOM 0 H VAL A 53 6.810 9.788 5.274 1.00 0.00 H new ATOM 0 HA VAL A 53 6.494 12.491 4.331 1.00 0.00 H new ATOM 0 HB VAL A 53 4.507 10.188 4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.270 11.431 2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.413 12.361 4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.448 12.760 2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.036 9.830 2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.288 11.091 2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.462 9.593 3.154 1.00 0.00 H new ATOM 941 N ILE A 61 -2.052 16.491 1.872 1.00 0.00 N ATOM 942 CA ILE A 61 -1.022 15.632 2.445 1.00 0.00 C ATOM 943 C ILE A 61 -1.568 14.832 3.623 1.00 0.00 C ATOM 944 O ILE A 61 -1.357 13.622 3.715 1.00 0.00 O ATOM 945 CB ILE A 61 0.196 16.449 2.915 1.00 0.00 C ATOM 946 CG1 ILE A 61 0.989 16.962 1.711 1.00 0.00 C ATOM 947 CG2 ILE A 61 1.082 15.607 3.820 1.00 0.00 C ATOM 948 CD1 ILE A 61 0.313 18.103 0.984 1.00 0.00 C ATOM 0 HA ILE A 61 -0.707 14.948 1.657 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.159 17.308 3.485 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.973 17.288 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.147 16.140 1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.938 16.199 4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.512 15.287 4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.432 14.731 3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.931 18.415 0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.660 17.775 0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.180 18.942 1.667 1.00 0.00 H new ATOM 960 N ARG A 62 -2.271 15.514 4.520 1.00 0.00 N ATOM 961 CA ARG A 62 -2.849 14.866 5.692 1.00 0.00 C ATOM 962 C ARG A 62 -3.659 13.637 5.290 1.00 0.00 C ATOM 963 O ARG A 62 -3.295 12.508 5.615 1.00 0.00 O ATOM 964 CB ARG A 62 -3.737 15.848 6.458 1.00 0.00 C ATOM 965 CG ARG A 62 -2.995 17.074 6.963 1.00 0.00 C ATOM 966 CD ARG A 62 -3.956 18.137 7.472 1.00 0.00 C ATOM 967 NE ARG A 62 -4.343 17.906 8.860 1.00 0.00 N ATOM 968 CZ ARG A 62 -3.502 18.003 9.884 1.00 0.00 C ATOM 969 NH1 ARG A 62 -2.234 18.326 9.675 1.00 0.00 N ATOM 970 NH2 ARG A 62 -3.931 17.778 11.120 1.00 0.00 N ATOM 0 H ARG A 62 -2.455 16.515 4.458 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.032 14.545 6.339 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.552 16.169 5.810 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.188 15.332 7.306 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.314 16.784 7.763 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.385 17.488 6.160 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.490 19.119 7.384 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.847 18.150 6.845 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.313 17.656 9.055 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.902 18.501 8.727 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.590 18.400 10.463 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.907 17.530 11.284 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.285 17.853 11.906 1.00 0.00 H new ATOM 984 N GLU A 63 -4.760 13.867 4.581 1.00 0.00 N ATOM 985 CA GLU A 63 -5.622 12.778 4.136 1.00 0.00 C ATOM 986 C GLU A 63 -4.823 11.731 3.366 1.00 0.00 C ATOM 987 O GLU A 63 -4.632 10.610 3.836 1.00 0.00 O ATOM 988 CB GLU A 63 -6.753 13.320 3.258 1.00 0.00 C ATOM 989 CG GLU A 63 -7.996 12.445 3.259 1.00 0.00 C ATOM 990 CD GLU A 63 -8.887 12.697 2.059 1.00 0.00 C ATOM 991 OE1 GLU A 63 -9.703 13.642 2.114 1.00 0.00 O ATOM 992 OE2 GLU A 63 -8.770 11.950 1.064 1.00 0.00 O ATOM 0 H GLU A 63 -5.076 14.796 4.303 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.051 12.305 5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.022 14.319 3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.391 13.421 2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.698 11.397 3.272 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.563 12.626 4.172 1.00 0.00 H new ATOM 999 N ALA A 64 -4.359 12.106 2.178 1.00 0.00 N ATOM 1000 CA ALA A 64 -3.580 11.200 1.343 1.00 0.00 C ATOM 1001 C ALA A 64 -2.711 10.280 2.193 1.00 0.00 C ATOM 1002 O ALA A 64 -2.724 9.061 2.015 1.00 0.00 O ATOM 1003 CB ALA A 64 -2.718 11.991 0.369 1.00 0.00 C ATOM 0 H ALA A 64 -4.509 13.030 1.773 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.275 10.579 0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.141 11.302 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.357 12.602 -0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.038 12.636 0.926 1.00 0.00 H new ATOM 1009 N ARG A 65 -1.958 10.868 3.115 1.00 0.00 N ATOM 1010 CA ARG A 65 -1.082 10.100 3.992 1.00 0.00 C ATOM 1011 C ARG A 65 -1.880 9.084 4.803 1.00 0.00 C ATOM 1012 O ARG A 65 -1.662 7.877 4.692 1.00 0.00 O ATOM 1013 CB ARG A 65 -0.321 11.035 4.934 1.00 0.00 C ATOM 1014 CG ARG A 65 0.318 10.322 6.114 1.00 0.00 C ATOM 1015 CD ARG A 65 1.270 11.237 6.869 1.00 0.00 C ATOM 1016 NE ARG A 65 1.968 10.534 7.942 1.00 0.00 N ATOM 1017 CZ ARG A 65 1.377 10.126 9.060 1.00 0.00 C ATOM 1018 NH1 ARG A 65 0.084 10.350 9.250 1.00 0.00 N ATOM 1019 NH2 ARG A 65 2.080 9.493 9.991 1.00 0.00 N ATOM 0 H ARG A 65 -1.936 11.875 3.275 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.367 9.562 3.369 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.455 11.553 4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.006 11.796 5.308 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.460 9.966 6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.859 9.444 5.761 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.999 11.654 6.174 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.712 12.075 7.287 1.00 0.00 H new ATOM 0 HE ARG A 65 2.964 10.346 7.827 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.459 10.837 8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.367 10.036 10.109 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.075 9.319 9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.625 9.180 10.849 1.00 0.00 H new ATOM 1033 N ARG A 66 -2.806 9.579 5.617 1.00 0.00 N ATOM 1034 CA ARG A 66 -3.635 8.714 6.448 1.00 0.00 C ATOM 1035 C ARG A 66 -4.417 7.724 5.590 1.00 0.00 C ATOM 1036 O ARG A 66 -4.227 6.511 5.697 1.00 0.00 O ATOM 1037 CB ARG A 66 -4.603 9.552 7.287 1.00 0.00 C ATOM 1038 CG ARG A 66 -5.259 8.775 8.416 1.00 0.00 C ATOM 1039 CD ARG A 66 -6.519 9.468 8.911 1.00 0.00 C ATOM 1040 NE ARG A 66 -7.324 8.598 9.764 1.00 0.00 N ATOM 1041 CZ ARG A 66 -8.125 7.647 9.295 1.00 0.00 C ATOM 1042 NH1 ARG A 66 -8.225 7.445 7.988 1.00 0.00 N ATOM 1043 NH2 ARG A 66 -8.825 6.895 10.134 1.00 0.00 N ATOM 0 H ARG A 66 -3.001 10.575 5.719 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.978 8.154 7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.065 10.402 7.707 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.379 9.956 6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.506 7.771 8.072 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.555 8.665 9.241 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.245 10.366 9.465 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.115 9.790 8.057 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.268 8.727 10.774 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.686 8.020 7.340 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.840 6.714 7.630 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.749 7.047 11.140 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.440 6.165 9.773 1.00 0.00 H new ATOM 1057 N ARG A 67 -5.295 8.247 4.741 1.00 0.00 N ATOM 1058 CA ARG A 67 -6.105 7.408 3.866 1.00 0.00 C ATOM 1059 C ARG A 67 -5.279 6.259 3.297 1.00 0.00 C ATOM 1060 O ARG A 67 -5.767 5.136 3.165 1.00 0.00 O ATOM 1061 CB ARG A 67 -6.692 8.241 2.726 1.00 0.00 C ATOM 1062 CG ARG A 67 -7.556 7.439 1.767 1.00 0.00 C ATOM 1063 CD ARG A 67 -8.202 8.332 0.719 1.00 0.00 C ATOM 1064 NE ARG A 67 -9.475 7.791 0.249 1.00 0.00 N ATOM 1065 CZ ARG A 67 -10.090 8.210 -0.851 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -9.551 9.169 -1.591 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -11.246 7.669 -1.214 1.00 0.00 N ATOM 0 H ARG A 67 -5.464 9.248 4.640 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.919 6.989 4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.288 9.050 3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.877 8.703 2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.947 6.680 1.275 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.330 6.913 2.326 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.363 9.325 1.138 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.523 8.449 -0.126 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.916 7.051 0.796 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.662 9.587 -1.316 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.025 9.489 -2.435 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.663 6.930 -0.648 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.717 7.992 -2.059 1.00 0.00 H new ATOM 1081 N ALA A 68 -4.026 6.546 2.962 1.00 0.00 N ATOM 1082 CA ALA A 68 -3.132 5.536 2.408 1.00 0.00 C ATOM 1083 C ALA A 68 -2.873 4.421 3.415 1.00 0.00 C ATOM 1084 O ALA A 68 -3.170 3.255 3.155 1.00 0.00 O ATOM 1085 CB ALA A 68 -1.819 6.173 1.975 1.00 0.00 C ATOM 0 H ALA A 68 -3.606 7.470 3.064 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.616 5.098 1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.161 5.407 1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.015 6.930 1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.339 6.639 2.836 1.00 0.00 H new ATOM 1091 N VAL A 69 -2.317 4.786 4.567 1.00 0.00 N ATOM 1092 CA VAL A 69 -2.019 3.816 5.613 1.00 0.00 C ATOM 1093 C VAL A 69 -3.088 2.732 5.679 1.00 0.00 C ATOM 1094 O VAL A 69 -2.781 1.540 5.647 1.00 0.00 O ATOM 1095 CB VAL A 69 -1.906 4.494 6.992 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -1.636 3.462 8.075 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -0.818 5.557 6.974 1.00 0.00 C ATOM 0 H VAL A 69 -2.064 5.747 4.798 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.061 3.362 5.359 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.855 4.981 7.217 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.559 3.960 9.041 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.453 2.741 8.102 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.702 2.944 7.859 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.751 6.026 7.956 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.138 5.095 6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.060 6.313 6.227 1.00 0.00 H new ATOM 1107 N ILE A 70 -4.345 3.154 5.771 1.00 0.00 N ATOM 1108 CA ILE A 70 -5.462 2.218 5.839 1.00 0.00 C ATOM 1109 C ILE A 70 -5.605 1.438 4.537 1.00 0.00 C ATOM 1110 O ILE A 70 -5.497 0.213 4.522 1.00 0.00 O ATOM 1111 CB ILE A 70 -6.786 2.943 6.139 1.00 0.00 C ATOM 1112 CG1 ILE A 70 -6.682 3.719 7.454 1.00 0.00 C ATOM 1113 CG2 ILE A 70 -7.934 1.947 6.196 1.00 0.00 C ATOM 1114 CD1 ILE A 70 -6.117 5.112 7.290 1.00 0.00 C ATOM 0 H ILE A 70 -4.616 4.137 5.800 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.245 1.525 6.652 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.985 3.652 5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.672 3.788 7.905 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.054 3.160 8.148 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.864 2.475 6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -8.019 1.435 5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.743 1.217 6.982 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.072 5.603 8.262 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -5.114 5.050 6.868 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.757 5.688 6.622 1.00 0.00 H new ATOM 1126 N GLU A 71 -5.848 2.157 3.446 1.00 0.00 N ATOM 1127 CA GLU A 71 -6.006 1.532 2.139 1.00 0.00 C ATOM 1128 C GLU A 71 -4.998 0.400 1.952 1.00 0.00 C ATOM 1129 O GLU A 71 -5.375 -0.746 1.707 1.00 0.00 O ATOM 1130 CB GLU A 71 -5.835 2.570 1.028 1.00 0.00 C ATOM 1131 CG GLU A 71 -6.999 3.539 0.915 1.00 0.00 C ATOM 1132 CD GLU A 71 -8.290 2.854 0.507 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -8.265 2.078 -0.471 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -9.324 3.095 1.164 1.00 0.00 O ATOM 0 H GLU A 71 -5.940 3.173 3.442 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.011 1.114 2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.920 3.134 1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.710 2.054 0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.144 4.040 1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.755 4.311 0.185 1.00 0.00 H new ATOM 1141 N VAL A 72 -3.717 0.731 2.070 1.00 0.00 N ATOM 1142 CA VAL A 72 -2.655 -0.256 1.915 1.00 0.00 C ATOM 1143 C VAL A 72 -2.796 -1.379 2.936 1.00 0.00 C ATOM 1144 O VAL A 72 -2.952 -2.545 2.573 1.00 0.00 O ATOM 1145 CB VAL A 72 -1.264 0.388 2.064 1.00 0.00 C ATOM 1146 CG1 VAL A 72 -0.170 -0.635 1.800 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -1.127 1.582 1.131 1.00 0.00 C ATOM 0 H VAL A 72 -3.389 1.675 2.273 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.750 -0.668 0.910 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.155 0.743 3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.805 -0.161 1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.258 -1.454 2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.272 -1.024 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.138 2.025 1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.257 1.254 0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.888 2.323 1.375 1.00 0.00 H new ATOM 1157 N GLN A 73 -2.739 -1.019 4.214 1.00 0.00 N ATOM 1158 CA GLN A 73 -2.860 -1.997 5.289 1.00 0.00 C ATOM 1159 C GLN A 73 -4.010 -2.963 5.020 1.00 0.00 C ATOM 1160 O GLN A 73 -3.941 -4.141 5.371 1.00 0.00 O ATOM 1161 CB GLN A 73 -3.074 -1.292 6.629 1.00 0.00 C ATOM 1162 CG GLN A 73 -1.780 -0.945 7.347 1.00 0.00 C ATOM 1163 CD GLN A 73 -1.251 -2.094 8.183 1.00 0.00 C ATOM 1164 OE1 GLN A 73 -1.938 -3.096 8.389 1.00 0.00 O ATOM 1165 NE2 GLN A 73 -0.023 -1.956 8.669 1.00 0.00 N ATOM 0 H GLN A 73 -2.610 -0.058 4.530 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.932 -2.568 5.332 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.644 -0.378 6.462 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.678 -1.931 7.274 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.027 -0.658 6.613 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.946 -0.080 7.989 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.511 -1.109 8.473 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.387 -2.697 9.238 1.00 0.00 H new ATOM 1174 N THR A 74 -5.067 -2.455 4.394 1.00 0.00 N ATOM 1175 CA THR A 74 -6.233 -3.271 4.079 1.00 0.00 C ATOM 1176 C THR A 74 -5.839 -4.509 3.281 1.00 0.00 C ATOM 1177 O THR A 74 -6.324 -5.611 3.543 1.00 0.00 O ATOM 1178 CB THR A 74 -7.279 -2.471 3.279 1.00 0.00 C ATOM 1179 OG1 THR A 74 -7.467 -1.181 3.872 1.00 0.00 O ATOM 1180 CG2 THR A 74 -8.608 -3.212 3.233 1.00 0.00 C ATOM 0 H THR A 74 -5.139 -1.482 4.095 1.00 0.00 H new ATOM 0 HA THR A 74 -6.669 -3.578 5.029 1.00 0.00 H new ATOM 0 HB THR A 74 -6.912 -2.352 2.260 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.731 -0.590 3.610 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.331 -2.628 2.663 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.468 -4.182 2.755 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.979 -3.358 4.248 1.00 0.00 H new ATOM 1188 N LEU A 75 -4.955 -4.322 2.306 1.00 0.00 N ATOM 1189 CA LEU A 75 -4.494 -5.425 1.470 1.00 0.00 C ATOM 1190 C LEU A 75 -3.710 -6.441 2.293 1.00 0.00 C ATOM 1191 O LEU A 75 -3.964 -7.645 2.218 1.00 0.00 O ATOM 1192 CB LEU A 75 -3.625 -4.896 0.328 1.00 0.00 C ATOM 1193 CG LEU A 75 -4.357 -4.130 -0.774 1.00 0.00 C ATOM 1194 CD1 LEU A 75 -3.364 -3.421 -1.682 1.00 0.00 C ATOM 1195 CD2 LEU A 75 -5.242 -5.070 -1.579 1.00 0.00 C ATOM 0 H LEU A 75 -4.544 -3.418 2.075 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.369 -5.922 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.862 -4.243 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.106 -5.739 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.992 -3.377 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.904 -2.881 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.773 -2.718 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.703 -4.155 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.755 -4.508 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.628 -5.846 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.978 -5.531 -0.920 1.00 0.00 H new ATOM 1207 N ILE A 76 -2.758 -5.951 3.079 1.00 0.00 N ATOM 1208 CA ILE A 76 -1.939 -6.817 3.919 1.00 0.00 C ATOM 1209 C ILE A 76 -2.802 -7.802 4.699 1.00 0.00 C ATOM 1210 O ILE A 76 -2.541 -9.006 4.702 1.00 0.00 O ATOM 1211 CB ILE A 76 -1.090 -5.999 4.910 1.00 0.00 C ATOM 1212 CG1 ILE A 76 -0.139 -5.068 4.155 1.00 0.00 C ATOM 1213 CG2 ILE A 76 -0.311 -6.927 5.831 1.00 0.00 C ATOM 1214 CD1 ILE A 76 0.575 -4.078 5.048 1.00 0.00 C ATOM 0 H ILE A 76 -2.534 -4.959 3.152 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.275 -7.368 3.253 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.757 -5.389 5.519 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.602 -5.669 3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.703 -4.522 3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.284 -6.334 6.526 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.007 -7.552 6.391 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.348 -7.560 5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.232 -3.451 4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.158 -3.451 5.556 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.167 -4.617 5.788 1.00 0.00 H new ATOM 1226 N THR A 77 -3.834 -7.284 5.358 1.00 0.00 N ATOM 1227 CA THR A 77 -4.737 -8.118 6.140 1.00 0.00 C ATOM 1228 C THR A 77 -5.392 -9.187 5.271 1.00 0.00 C ATOM 1229 O THR A 77 -5.415 -10.364 5.630 1.00 0.00 O ATOM 1230 CB THR A 77 -5.837 -7.277 6.815 1.00 0.00 C ATOM 1231 OG1 THR A 77 -5.245 -6.232 7.594 1.00 0.00 O ATOM 1232 CG2 THR A 77 -6.713 -8.145 7.705 1.00 0.00 C ATOM 0 H THR A 77 -4.065 -6.290 5.365 1.00 0.00 H new ATOM 0 HA THR A 77 -4.134 -8.599 6.910 1.00 0.00 H new ATOM 0 HB THR A 77 -6.460 -6.840 6.034 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.951 -5.701 8.019 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.482 -7.529 8.171 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.185 -8.922 7.104 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.100 -8.607 8.479 1.00 0.00 H new ATOM 1240 N TYR A 78 -5.923 -8.768 4.128 1.00 0.00 N ATOM 1241 CA TYR A 78 -6.580 -9.688 3.208 1.00 0.00 C ATOM 1242 C TYR A 78 -5.659 -10.853 2.852 1.00 0.00 C ATOM 1243 O TYR A 78 -6.036 -12.017 2.981 1.00 0.00 O ATOM 1244 CB TYR A 78 -7.007 -8.954 1.936 1.00 0.00 C ATOM 1245 CG TYR A 78 -7.332 -9.877 0.784 1.00 0.00 C ATOM 1246 CD1 TYR A 78 -8.136 -10.995 0.969 1.00 0.00 C ATOM 1247 CD2 TYR A 78 -6.837 -9.630 -0.491 1.00 0.00 C ATOM 1248 CE1 TYR A 78 -8.435 -11.842 -0.080 1.00 0.00 C ATOM 1249 CE2 TYR A 78 -7.132 -10.471 -1.547 1.00 0.00 C ATOM 1250 CZ TYR A 78 -7.931 -11.575 -1.337 1.00 0.00 C ATOM 1251 OH TYR A 78 -8.229 -12.415 -2.385 1.00 0.00 O ATOM 0 H TYR A 78 -5.911 -7.797 3.816 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.465 -10.086 3.704 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.881 -8.341 2.157 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.209 -8.276 1.633 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -8.534 -11.205 1.951 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.211 -8.766 -0.659 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.059 -12.708 0.082 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.739 -10.265 -2.532 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.798 -12.086 -3.201 1.00 0.00 H new ATOM 1261 N ILE A 79 -4.452 -10.527 2.404 1.00 0.00 N ATOM 1262 CA ILE A 79 -3.476 -11.543 2.031 1.00 0.00 C ATOM 1263 C ILE A 79 -3.108 -12.416 3.225 1.00 0.00 C ATOM 1264 O ILE A 79 -3.113 -13.645 3.136 1.00 0.00 O ATOM 1265 CB ILE A 79 -2.195 -10.911 1.456 1.00 0.00 C ATOM 1266 CG1 ILE A 79 -2.510 -10.148 0.168 1.00 0.00 C ATOM 1267 CG2 ILE A 79 -1.146 -11.981 1.200 1.00 0.00 C ATOM 1268 CD1 ILE A 79 -1.469 -9.111 -0.191 1.00 0.00 C ATOM 0 H ILE A 79 -4.126 -9.567 2.290 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.942 -12.160 1.263 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.797 -10.206 2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.600 -10.859 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.478 -9.658 0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.246 -11.519 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.904 -12.485 2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.534 -12.708 0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.758 -8.610 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.394 -8.377 0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.503 -9.597 -0.329 1.00 0.00 H new ATOM 1280 N ASP A 80 -2.790 -11.774 4.344 1.00 0.00 N ATOM 1281 CA ASP A 80 -2.421 -12.492 5.559 1.00 0.00 C ATOM 1282 C ASP A 80 -3.415 -13.611 5.853 1.00 0.00 C ATOM 1283 O ASP A 80 -3.056 -14.789 5.855 1.00 0.00 O ATOM 1284 CB ASP A 80 -2.354 -11.528 6.745 1.00 0.00 C ATOM 1285 CG ASP A 80 -1.780 -12.178 7.988 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -0.538 -12.222 8.116 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -2.572 -12.644 8.833 1.00 0.00 O ATOM 0 H ASP A 80 -2.780 -10.758 4.435 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.438 -12.936 5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.744 -10.666 6.475 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.355 -11.155 6.963 1.00 0.00 H new ATOM 1292 N LEU A 81 -4.665 -13.235 6.100 1.00 0.00 N ATOM 1293 CA LEU A 81 -5.712 -14.207 6.396 1.00 0.00 C ATOM 1294 C LEU A 81 -5.639 -15.394 5.440 1.00 0.00 C ATOM 1295 O LEU A 81 -5.525 -16.543 5.868 1.00 0.00 O ATOM 1296 CB LEU A 81 -7.089 -13.547 6.301 1.00 0.00 C ATOM 1297 CG LEU A 81 -7.514 -12.707 7.506 1.00 0.00 C ATOM 1298 CD1 LEU A 81 -8.789 -11.938 7.198 1.00 0.00 C ATOM 1299 CD2 LEU A 81 -7.706 -13.591 8.731 1.00 0.00 C ATOM 0 H LEU A 81 -4.978 -12.264 6.101 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.559 -14.571 7.412 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.105 -12.911 5.416 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.834 -14.327 6.146 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.723 -11.988 7.720 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.076 -11.346 8.067 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.619 -11.276 6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.588 -12.639 6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.008 -12.977 9.579 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.478 -14.333 8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.769 -14.097 8.965 1.00 0.00 H new ATOM 1311 N LYS A 82 -5.701 -15.109 4.144 1.00 0.00 N ATOM 1312 CA LYS A 82 -5.638 -16.151 3.127 1.00 0.00 C ATOM 1313 C LYS A 82 -4.476 -17.103 3.393 1.00 0.00 C ATOM 1314 O LYS A 82 -4.663 -18.315 3.483 1.00 0.00 O ATOM 1315 CB LYS A 82 -5.493 -15.529 1.737 1.00 0.00 C ATOM 1316 CG LYS A 82 -6.655 -14.632 1.347 1.00 0.00 C ATOM 1317 CD LYS A 82 -7.902 -15.441 1.032 1.00 0.00 C ATOM 1318 CE LYS A 82 -7.896 -15.937 -0.406 1.00 0.00 C ATOM 1319 NZ LYS A 82 -8.843 -17.069 -0.606 1.00 0.00 N ATOM 0 H LYS A 82 -5.795 -14.164 3.773 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.567 -16.719 3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.570 -14.950 1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.397 -16.326 1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.867 -13.936 2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.379 -14.034 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.967 -16.291 1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.787 -14.828 1.203 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.163 -15.118 -1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.889 -16.254 -0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.810 -17.378 -1.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.574 -17.860 0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.808 -16.760 -0.372 1.00 0.00 H new ATOM 1333 N GLU A 83 -3.276 -16.543 3.520 1.00 0.00 N ATOM 1334 CA GLU A 83 -2.084 -17.342 3.778 1.00 0.00 C ATOM 1335 C GLU A 83 -2.316 -18.307 4.937 1.00 0.00 C ATOM 1336 O GLU A 83 -2.044 -19.502 4.829 1.00 0.00 O ATOM 1337 CB GLU A 83 -0.891 -16.435 4.085 1.00 0.00 C ATOM 1338 CG GLU A 83 -0.117 -16.009 2.849 1.00 0.00 C ATOM 1339 CD GLU A 83 0.911 -14.935 3.147 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.518 -13.860 3.647 1.00 0.00 O ATOM 1341 OE2 GLU A 83 2.108 -15.168 2.879 1.00 0.00 O ATOM 0 H GLU A 83 -3.104 -15.540 3.448 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.867 -17.924 2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.246 -15.546 4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.216 -16.954 4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.384 -16.877 2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.815 -15.641 2.097 1.00 0.00 H new