USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 MET CE :methyl 163:sc= -2.03! (180deg=-3.38!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -110:sc= -1.77 (180deg=-4.37!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -24:sc= 0.113 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.77! C(o=-2.8!,f=-2.8!) USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= 0.154 (180deg=-0.309) USER MOD Single : A 33 THR OG1 : rot 158:sc= 0.628 USER MOD Single : A 35 GLN : amide:sc= -2.99! C(o=-3!,f=-7.7!) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.741 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot -47:sc=0.000736 USER MOD Single : A 61 THR OG1 : rot 70:sc= 0.555 USER MOD Single : A 63 ASN : amide:sc= -1.75! X(o=-1.7!,f=-2.2) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -5.9! C(o=-5.9!,f=-7.5!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0461 X(o=-0.046,f=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N LEU A 11 4.125 -11.518 -0.321 1.00 0.00 N ATOM 119 CA LEU A 11 3.404 -10.610 0.565 1.00 0.00 C ATOM 120 C LEU A 11 4.217 -10.317 1.822 1.00 0.00 C ATOM 121 O LEU A 11 4.425 -9.159 2.182 1.00 0.00 O ATOM 122 CB LEU A 11 2.049 -11.208 0.947 1.00 0.00 C ATOM 123 CG LEU A 11 0.983 -11.208 -0.149 1.00 0.00 C ATOM 124 CD1 LEU A 11 -0.195 -12.082 0.253 1.00 0.00 C ATOM 125 CD2 LEU A 11 0.521 -9.788 -0.444 1.00 0.00 C ATOM 0 HA LEU A 11 3.243 -9.673 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.207 -12.236 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.660 -10.658 1.804 1.00 0.00 H new ATOM 0 HG LEU A 11 1.422 -11.621 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.944 -12.070 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.148 -13.104 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.635 -11.699 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.238 -9.807 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.099 -9.347 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.370 -9.191 -0.777 1.00 0.00 H new ATOM 137 N GLU A 12 4.674 -11.375 2.485 1.00 0.00 N ATOM 138 CA GLU A 12 5.465 -11.231 3.701 1.00 0.00 C ATOM 139 C GLU A 12 6.428 -10.052 3.588 1.00 0.00 C ATOM 140 O GLU A 12 6.293 -9.056 4.299 1.00 0.00 O ATOM 141 CB GLU A 12 6.246 -12.516 3.984 1.00 0.00 C ATOM 142 CG GLU A 12 5.379 -13.657 4.488 1.00 0.00 C ATOM 143 CD GLU A 12 3.965 -13.601 3.942 1.00 0.00 C ATOM 144 OE1 GLU A 12 3.223 -12.667 4.310 1.00 0.00 O ATOM 145 OE2 GLU A 12 3.602 -14.491 3.145 1.00 0.00 O ATOM 0 H GLU A 12 4.510 -12.341 2.200 1.00 0.00 H new ATOM 0 HA GLU A 12 4.781 -11.041 4.528 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.753 -12.831 3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.020 -12.306 4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.835 -14.606 4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.345 -13.629 5.577 1.00 0.00 H new ATOM 152 N ASP A 13 7.398 -10.174 2.689 1.00 0.00 N ATOM 153 CA ASP A 13 8.384 -9.119 2.481 1.00 0.00 C ATOM 154 C ASP A 13 7.702 -7.796 2.146 1.00 0.00 C ATOM 155 O ASP A 13 7.818 -6.821 2.888 1.00 0.00 O ATOM 156 CB ASP A 13 9.349 -9.507 1.360 1.00 0.00 C ATOM 157 CG ASP A 13 10.453 -10.429 1.840 1.00 0.00 C ATOM 158 OD1 ASP A 13 11.212 -10.024 2.745 1.00 0.00 O ATOM 159 OD2 ASP A 13 10.558 -11.556 1.310 1.00 0.00 O ATOM 0 H ASP A 13 7.523 -10.992 2.093 1.00 0.00 H new ATOM 0 HA ASP A 13 8.946 -8.994 3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.794 -9.996 0.559 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.791 -8.605 0.937 1.00 0.00 H new ATOM 164 N MET A 14 6.991 -7.770 1.023 1.00 0.00 N ATOM 165 CA MET A 14 6.291 -6.567 0.590 1.00 0.00 C ATOM 166 C MET A 14 5.766 -5.783 1.788 1.00 0.00 C ATOM 167 O MET A 14 5.957 -4.570 1.882 1.00 0.00 O ATOM 168 CB MET A 14 5.133 -6.932 -0.342 1.00 0.00 C ATOM 169 CG MET A 14 4.240 -5.754 -0.692 1.00 0.00 C ATOM 170 SD MET A 14 2.703 -6.259 -1.487 1.00 0.00 S ATOM 171 CE MET A 14 1.629 -6.442 -0.065 1.00 0.00 C ATOM 0 H MET A 14 6.885 -8.568 0.397 1.00 0.00 H new ATOM 0 HA MET A 14 6.999 -5.940 0.049 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.537 -7.357 -1.261 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.529 -7.708 0.129 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.009 -5.196 0.216 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.781 -5.077 -1.353 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.590 -6.452 -0.393 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.858 -7.378 0.446 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.785 -5.608 0.619 1.00 0.00 H new ATOM 181 N LYS A 15 5.102 -6.482 2.703 1.00 0.00 N ATOM 182 CA LYS A 15 4.550 -5.852 3.896 1.00 0.00 C ATOM 183 C LYS A 15 5.635 -5.112 4.672 1.00 0.00 C ATOM 184 O LYS A 15 5.576 -3.893 4.835 1.00 0.00 O ATOM 185 CB LYS A 15 3.892 -6.902 4.794 1.00 0.00 C ATOM 186 CG LYS A 15 2.651 -7.531 4.185 1.00 0.00 C ATOM 187 CD LYS A 15 2.457 -8.960 4.664 1.00 0.00 C ATOM 188 CE LYS A 15 2.295 -9.023 6.175 1.00 0.00 C ATOM 189 NZ LYS A 15 2.750 -10.329 6.728 1.00 0.00 N ATOM 0 H LYS A 15 4.933 -7.486 2.641 1.00 0.00 H new ATOM 0 HA LYS A 15 3.797 -5.130 3.580 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.617 -7.686 5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.626 -6.440 5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.775 -6.937 4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.732 -7.519 3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.578 -9.390 4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.312 -9.565 4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.865 -8.216 6.635 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.249 -8.863 6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.623 -10.332 7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.190 -11.098 6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.755 -10.470 6.502 1.00 0.00 H new ATOM 203 N LYS A 16 6.627 -5.857 5.149 1.00 0.00 N ATOM 204 CA LYS A 16 7.728 -5.272 5.906 1.00 0.00 C ATOM 205 C LYS A 16 8.257 -4.019 5.216 1.00 0.00 C ATOM 206 O LYS A 16 8.289 -2.940 5.808 1.00 0.00 O ATOM 207 CB LYS A 16 8.857 -6.291 6.073 1.00 0.00 C ATOM 208 CG LYS A 16 9.778 -5.993 7.244 1.00 0.00 C ATOM 209 CD LYS A 16 10.936 -5.101 6.829 1.00 0.00 C ATOM 210 CE LYS A 16 11.410 -4.231 7.982 1.00 0.00 C ATOM 211 NZ LYS A 16 12.249 -3.094 7.510 1.00 0.00 N ATOM 0 H LYS A 16 6.691 -6.867 5.025 1.00 0.00 H new ATOM 0 HA LYS A 16 7.352 -4.992 6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.424 -7.282 6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.446 -6.321 5.157 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.212 -5.509 8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.165 -6.927 7.651 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.762 -5.717 6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.629 -4.468 5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.547 -3.845 8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.982 -4.838 8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.236 -3.247 7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.199 -3.032 6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.899 -2.208 7.927 1.00 0.00 H new ATOM 225 N TYR A 17 8.671 -4.169 3.963 1.00 0.00 N ATOM 226 CA TYR A 17 9.200 -3.050 3.193 1.00 0.00 C ATOM 227 C TYR A 17 8.223 -1.877 3.195 1.00 0.00 C ATOM 228 O TYR A 17 8.485 -0.838 3.799 1.00 0.00 O ATOM 229 CB TYR A 17 9.490 -3.484 1.755 1.00 0.00 C ATOM 230 CG TYR A 17 9.704 -2.327 0.805 1.00 0.00 C ATOM 231 CD1 TYR A 17 10.962 -1.761 0.641 1.00 0.00 C ATOM 232 CD2 TYR A 17 8.648 -1.800 0.072 1.00 0.00 C ATOM 233 CE1 TYR A 17 11.162 -0.704 -0.225 1.00 0.00 C ATOM 234 CE2 TYR A 17 8.839 -0.745 -0.798 1.00 0.00 C ATOM 235 CZ TYR A 17 10.098 -0.200 -0.943 1.00 0.00 C ATOM 236 OH TYR A 17 10.292 0.853 -1.807 1.00 0.00 O ATOM 0 H TYR A 17 8.650 -5.055 3.459 1.00 0.00 H new ATOM 0 HA TYR A 17 10.129 -2.727 3.662 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.377 -4.118 1.747 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.660 -4.092 1.393 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.798 -2.154 1.200 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.661 -2.223 0.185 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.146 -0.274 -0.339 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.007 -0.349 -1.362 1.00 0.00 H new ATOM 0 HH TYR A 17 9.442 1.086 -2.235 1.00 0.00 H new ATOM 246 N ALA A 18 7.095 -2.054 2.514 1.00 0.00 N ATOM 247 CA ALA A 18 6.078 -1.014 2.439 1.00 0.00 C ATOM 248 C ALA A 18 5.887 -0.333 3.790 1.00 0.00 C ATOM 249 O ALA A 18 5.632 0.869 3.859 1.00 0.00 O ATOM 250 CB ALA A 18 4.761 -1.598 1.950 1.00 0.00 C ATOM 0 H ALA A 18 6.863 -2.908 2.007 1.00 0.00 H new ATOM 0 HA ALA A 18 6.416 -0.261 1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.010 -0.810 1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.901 -2.031 0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.428 -2.372 2.641 1.00 0.00 H new ATOM 256 N GLU A 19 6.011 -1.110 4.862 1.00 0.00 N ATOM 257 CA GLU A 19 5.851 -0.581 6.211 1.00 0.00 C ATOM 258 C GLU A 19 6.958 0.417 6.539 1.00 0.00 C ATOM 259 O GLU A 19 6.718 1.621 6.629 1.00 0.00 O ATOM 260 CB GLU A 19 5.855 -1.719 7.233 1.00 0.00 C ATOM 261 CG GLU A 19 5.336 -1.311 8.601 1.00 0.00 C ATOM 262 CD GLU A 19 5.430 -2.431 9.619 1.00 0.00 C ATOM 263 OE1 GLU A 19 6.543 -2.965 9.812 1.00 0.00 O ATOM 264 OE2 GLU A 19 4.392 -2.773 10.223 1.00 0.00 O ATOM 0 H GLU A 19 6.222 -2.107 4.822 1.00 0.00 H new ATOM 0 HA GLU A 19 4.893 -0.063 6.259 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.246 -2.539 6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.872 -2.098 7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.903 -0.451 8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.297 -0.993 8.511 1.00 0.00 H new ATOM 271 N THR A 20 8.172 -0.094 6.718 1.00 0.00 N ATOM 272 CA THR A 20 9.317 0.750 7.038 1.00 0.00 C ATOM 273 C THR A 20 9.538 1.807 5.962 1.00 0.00 C ATOM 274 O THR A 20 10.295 2.758 6.159 1.00 0.00 O ATOM 275 CB THR A 20 10.602 -0.083 7.196 1.00 0.00 C ATOM 276 OG1 THR A 20 11.666 0.744 7.682 1.00 0.00 O ATOM 277 CG2 THR A 20 11.007 -0.711 5.870 1.00 0.00 C ATOM 0 H THR A 20 8.388 -1.088 6.647 1.00 0.00 H new ATOM 0 HA THR A 20 9.093 1.241 7.985 1.00 0.00 H new ATOM 0 HB THR A 20 10.405 -0.880 7.913 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.488 1.678 7.446 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.917 -1.295 6.007 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.208 -1.363 5.517 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.186 0.074 5.135 1.00 0.00 H new ATOM 285 N PHE A 21 8.874 1.635 4.825 1.00 0.00 N ATOM 286 CA PHE A 21 8.999 2.575 3.717 1.00 0.00 C ATOM 287 C PHE A 21 7.906 3.639 3.780 1.00 0.00 C ATOM 288 O PHE A 21 8.133 4.799 3.435 1.00 0.00 O ATOM 289 CB PHE A 21 8.927 1.833 2.380 1.00 0.00 C ATOM 290 CG PHE A 21 8.544 2.714 1.226 1.00 0.00 C ATOM 291 CD1 PHE A 21 9.289 3.841 0.920 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.438 2.414 0.446 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.938 4.654 -0.142 1.00 0.00 C ATOM 294 CE2 PHE A 21 7.083 3.223 -0.617 1.00 0.00 C ATOM 295 CZ PHE A 21 7.834 4.343 -0.912 1.00 0.00 C ATOM 0 H PHE A 21 8.244 0.853 4.646 1.00 0.00 H new ATOM 0 HA PHE A 21 9.967 3.068 3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.896 1.378 2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.204 1.021 2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.154 4.088 1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.847 1.538 0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.526 5.531 -0.369 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.218 2.979 -1.216 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.559 4.975 -1.743 1.00 0.00 H new ATOM 305 N LEU A 22 6.720 3.234 4.221 1.00 0.00 N ATOM 306 CA LEU A 22 5.591 4.152 4.330 1.00 0.00 C ATOM 307 C LEU A 22 5.462 4.691 5.751 1.00 0.00 C ATOM 308 O LEU A 22 4.575 5.492 6.042 1.00 0.00 O ATOM 309 CB LEU A 22 4.296 3.448 3.919 1.00 0.00 C ATOM 310 CG LEU A 22 4.173 3.077 2.441 1.00 0.00 C ATOM 311 CD1 LEU A 22 3.030 2.096 2.230 1.00 0.00 C ATOM 312 CD2 LEU A 22 3.972 4.324 1.593 1.00 0.00 C ATOM 0 H LEU A 22 6.515 2.277 4.509 1.00 0.00 H new ATOM 0 HA LEU A 22 5.770 4.992 3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.197 2.538 4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.457 4.092 4.182 1.00 0.00 H new ATOM 0 HG LEU A 22 5.100 2.595 2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.958 1.844 1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.217 1.190 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.095 2.550 2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.887 4.041 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.061 4.834 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.824 4.992 1.720 1.00 0.00 H new ATOM 324 N GLU A 23 6.354 4.247 6.630 1.00 0.00 N ATOM 325 CA GLU A 23 6.340 4.687 8.020 1.00 0.00 C ATOM 326 C GLU A 23 6.184 6.202 8.110 1.00 0.00 C ATOM 327 O GLU A 23 5.255 6.720 8.731 1.00 0.00 O ATOM 328 CB GLU A 23 7.625 4.253 8.729 1.00 0.00 C ATOM 329 CG GLU A 23 7.505 2.917 9.443 1.00 0.00 C ATOM 330 CD GLU A 23 8.663 2.654 10.387 1.00 0.00 C ATOM 331 OE1 GLU A 23 8.809 3.407 11.372 1.00 0.00 O ATOM 332 OE2 GLU A 23 9.423 1.694 10.139 1.00 0.00 O ATOM 0 H GLU A 23 7.095 3.583 6.405 1.00 0.00 H new ATOM 0 HA GLU A 23 5.486 4.221 8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.431 4.193 7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.907 5.018 9.452 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.571 2.892 10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.455 2.117 8.704 1.00 0.00 H new ATOM 339 N PRO A 24 7.114 6.931 7.475 1.00 0.00 N ATOM 340 CA PRO A 24 7.102 8.397 7.468 1.00 0.00 C ATOM 341 C PRO A 24 5.953 8.963 6.641 1.00 0.00 C ATOM 342 O PRO A 24 5.719 10.171 6.632 1.00 0.00 O ATOM 343 CB PRO A 24 8.447 8.760 6.835 1.00 0.00 C ATOM 344 CG PRO A 24 8.801 7.580 5.997 1.00 0.00 C ATOM 345 CD PRO A 24 8.249 6.380 6.716 1.00 0.00 C ATOM 0 HA PRO A 24 6.962 8.808 8.468 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.370 9.665 6.232 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.205 8.947 7.596 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.372 7.668 4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.881 7.499 5.874 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.929 5.606 6.019 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.992 5.929 7.374 1.00 0.00 H new ATOM 353 N TRP A 25 5.239 8.083 5.949 1.00 0.00 N ATOM 354 CA TRP A 25 4.113 8.496 5.118 1.00 0.00 C ATOM 355 C TRP A 25 2.788 8.139 5.781 1.00 0.00 C ATOM 356 O TRP A 25 1.748 8.718 5.465 1.00 0.00 O ATOM 357 CB TRP A 25 4.202 7.839 3.740 1.00 0.00 C ATOM 358 CG TRP A 25 4.968 8.653 2.742 1.00 0.00 C ATOM 359 CD1 TRP A 25 4.492 9.693 1.994 1.00 0.00 C ATOM 360 CD2 TRP A 25 6.344 8.494 2.381 1.00 0.00 C ATOM 361 NE1 TRP A 25 5.490 10.189 1.191 1.00 0.00 N ATOM 362 CE2 TRP A 25 6.636 9.472 1.410 1.00 0.00 C ATOM 363 CE3 TRP A 25 7.359 7.622 2.786 1.00 0.00 C ATOM 364 CZ2 TRP A 25 7.900 9.598 0.839 1.00 0.00 C ATOM 365 CZ3 TRP A 25 8.612 7.749 2.217 1.00 0.00 C ATOM 366 CH2 TRP A 25 8.874 8.732 1.253 1.00 0.00 C ATOM 0 H TRP A 25 5.419 7.079 5.946 1.00 0.00 H new ATOM 0 HA TRP A 25 4.158 9.579 5.000 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.675 6.862 3.841 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.194 7.668 3.361 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.480 10.069 2.029 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.393 10.966 0.537 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.167 6.863 3.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 8.104 10.354 0.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.403 7.079 2.520 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.864 8.807 0.829 1.00 0.00 H new ATOM 377 N PHE A 26 2.830 7.181 6.702 1.00 0.00 N ATOM 378 CA PHE A 26 1.631 6.747 7.409 1.00 0.00 C ATOM 379 C PHE A 26 1.871 6.712 8.915 1.00 0.00 C ATOM 380 O PHE A 26 1.024 7.138 9.701 1.00 0.00 O ATOM 381 CB PHE A 26 1.197 5.364 6.918 1.00 0.00 C ATOM 382 CG PHE A 26 0.484 5.393 5.596 1.00 0.00 C ATOM 383 CD1 PHE A 26 -0.522 6.315 5.358 1.00 0.00 C ATOM 384 CD2 PHE A 26 0.820 4.499 4.593 1.00 0.00 C ATOM 385 CE1 PHE A 26 -1.180 6.345 4.142 1.00 0.00 C ATOM 386 CE2 PHE A 26 0.166 4.524 3.376 1.00 0.00 C ATOM 387 CZ PHE A 26 -0.836 5.448 3.151 1.00 0.00 C ATOM 0 H PHE A 26 3.682 6.691 6.976 1.00 0.00 H new ATOM 0 HA PHE A 26 0.837 7.464 7.202 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.076 4.725 6.834 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.544 4.911 7.664 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.796 7.018 6.131 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.602 3.774 4.764 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.962 7.069 3.968 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.438 3.822 2.602 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.349 5.468 2.201 1.00 0.00 H new ATOM 397 N LYS A 27 3.031 6.201 9.312 1.00 0.00 N ATOM 398 CA LYS A 27 3.385 6.110 10.724 1.00 0.00 C ATOM 399 C LYS A 27 3.801 7.473 11.269 1.00 0.00 C ATOM 400 O LYS A 27 4.544 8.210 10.622 1.00 0.00 O ATOM 401 CB LYS A 27 4.519 5.102 10.923 1.00 0.00 C ATOM 402 CG LYS A 27 4.643 4.599 12.351 1.00 0.00 C ATOM 403 CD LYS A 27 5.796 3.621 12.500 1.00 0.00 C ATOM 404 CE LYS A 27 6.380 3.659 13.903 1.00 0.00 C ATOM 405 NZ LYS A 27 6.988 2.354 14.286 1.00 0.00 N ATOM 0 H LYS A 27 3.743 5.843 8.675 1.00 0.00 H new ATOM 0 HA LYS A 27 2.506 5.771 11.272 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.358 4.252 10.260 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.461 5.564 10.627 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.792 5.444 13.023 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.713 4.115 12.649 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.450 2.612 12.276 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.573 3.860 11.774 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.135 4.443 13.961 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.597 3.918 14.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.375 2.421 15.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.262 1.610 14.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.752 2.119 13.621 1.00 0.00 H new ATOM 419 N ALA A 28 3.319 7.799 12.463 1.00 0.00 N ATOM 420 CA ALA A 28 3.644 9.071 13.097 1.00 0.00 C ATOM 421 C ALA A 28 5.119 9.414 12.916 1.00 0.00 C ATOM 422 O ALA A 28 5.959 8.544 12.683 1.00 0.00 O ATOM 423 CB ALA A 28 3.287 9.031 14.575 1.00 0.00 C ATOM 0 H ALA A 28 2.702 7.200 13.011 1.00 0.00 H new ATOM 0 HA ALA A 28 3.055 9.850 12.613 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.535 9.987 15.035 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.220 8.841 14.686 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.850 8.236 15.064 1.00 0.00 H new ATOM 429 N PRO A 29 5.443 10.711 13.023 1.00 0.00 N ATOM 430 CA PRO A 29 4.452 11.755 13.298 1.00 0.00 C ATOM 431 C PRO A 29 3.511 11.987 12.120 1.00 0.00 C ATOM 432 O PRO A 29 2.595 12.804 12.197 1.00 0.00 O ATOM 433 CB PRO A 29 5.307 12.999 13.552 1.00 0.00 C ATOM 434 CG PRO A 29 6.576 12.743 12.814 1.00 0.00 C ATOM 435 CD PRO A 29 6.803 11.258 12.883 1.00 0.00 C ATOM 0 HA PRO A 29 3.803 11.490 14.132 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.813 13.900 13.189 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.490 13.143 14.617 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.500 13.079 11.780 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.406 13.286 13.265 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.296 10.885 11.985 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.434 10.987 13.729 1.00 0.00 H new ATOM 443 N ASN A 30 3.744 11.261 11.031 1.00 0.00 N ATOM 444 CA ASN A 30 2.917 11.388 9.837 1.00 0.00 C ATOM 445 C ASN A 30 1.620 10.600 9.987 1.00 0.00 C ATOM 446 O ASN A 30 1.562 9.611 10.718 1.00 0.00 O ATOM 447 CB ASN A 30 3.684 10.900 8.606 1.00 0.00 C ATOM 448 CG ASN A 30 4.469 12.011 7.936 1.00 0.00 C ATOM 449 OD1 ASN A 30 4.151 12.426 6.821 1.00 0.00 O ATOM 450 ND2 ASN A 30 5.501 12.499 8.614 1.00 0.00 N ATOM 0 H ASN A 30 4.498 10.579 10.951 1.00 0.00 H new ATOM 0 HA ASN A 30 2.668 12.441 9.708 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.367 10.102 8.899 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.982 10.472 7.890 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.066 13.248 8.214 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.729 12.125 9.535 1.00 0.00 H new ATOM 457 N LYS A 31 0.580 11.044 9.290 1.00 0.00 N ATOM 458 CA LYS A 31 -0.717 10.381 9.343 1.00 0.00 C ATOM 459 C LYS A 31 -1.695 11.019 8.361 1.00 0.00 C ATOM 460 O LYS A 31 -1.445 12.103 7.836 1.00 0.00 O ATOM 461 CB LYS A 31 -1.288 10.444 10.761 1.00 0.00 C ATOM 462 CG LYS A 31 -1.221 11.828 11.383 1.00 0.00 C ATOM 463 CD LYS A 31 -2.320 12.031 12.412 1.00 0.00 C ATOM 464 CE LYS A 31 -3.611 12.508 11.763 1.00 0.00 C ATOM 465 NZ LYS A 31 -4.518 13.161 12.747 1.00 0.00 N ATOM 0 H LYS A 31 0.610 11.862 8.681 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.575 9.338 9.061 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.327 10.114 10.740 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.744 9.744 11.394 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.249 11.969 11.855 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.309 12.583 10.602 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.502 11.095 12.941 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.994 12.759 13.155 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.377 13.210 10.963 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.122 11.661 11.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.505 13.046 12.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.393 12.720 13.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.290 14.174 12.810 1.00 0.00 H new ATOM 479 N GLY A 32 -2.812 10.339 8.119 1.00 0.00 N ATOM 480 CA GLY A 32 -3.811 10.856 7.202 1.00 0.00 C ATOM 481 C GLY A 32 -4.518 9.757 6.434 1.00 0.00 C ATOM 482 O GLY A 32 -4.551 8.606 6.871 1.00 0.00 O ATOM 0 H GLY A 32 -3.043 9.440 8.542 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.546 11.436 7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.335 11.538 6.498 1.00 0.00 H new ATOM 486 N THR A 33 -5.087 10.111 5.286 1.00 0.00 N ATOM 487 CA THR A 33 -5.799 9.146 4.457 1.00 0.00 C ATOM 488 C THR A 33 -4.974 8.756 3.236 1.00 0.00 C ATOM 489 O THR A 33 -3.937 9.357 2.957 1.00 0.00 O ATOM 490 CB THR A 33 -7.157 9.703 3.989 1.00 0.00 C ATOM 491 OG1 THR A 33 -6.977 10.985 3.377 1.00 0.00 O ATOM 492 CG2 THR A 33 -8.124 9.824 5.157 1.00 0.00 C ATOM 0 H THR A 33 -5.069 11.059 4.909 1.00 0.00 H new ATOM 0 HA THR A 33 -5.969 8.263 5.073 1.00 0.00 H new ATOM 0 HB THR A 33 -7.577 9.009 3.261 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.732 11.172 2.781 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.076 10.219 4.802 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.282 8.841 5.602 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.708 10.498 5.906 1.00 0.00 H new ATOM 500 N PHE A 34 -5.443 7.747 2.509 1.00 0.00 N ATOM 501 CA PHE A 34 -4.748 7.276 1.317 1.00 0.00 C ATOM 502 C PHE A 34 -5.647 6.364 0.488 1.00 0.00 C ATOM 503 O PHE A 34 -6.706 5.937 0.946 1.00 0.00 O ATOM 504 CB PHE A 34 -3.468 6.533 1.706 1.00 0.00 C ATOM 505 CG PHE A 34 -3.698 5.415 2.683 1.00 0.00 C ATOM 506 CD1 PHE A 34 -4.144 5.680 3.967 1.00 0.00 C ATOM 507 CD2 PHE A 34 -3.467 4.099 2.316 1.00 0.00 C ATOM 508 CE1 PHE A 34 -4.357 4.653 4.868 1.00 0.00 C ATOM 509 CE2 PHE A 34 -3.679 3.068 3.212 1.00 0.00 C ATOM 510 CZ PHE A 34 -4.123 3.346 4.490 1.00 0.00 C ATOM 0 H PHE A 34 -6.301 7.240 2.725 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.486 8.145 0.713 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.004 6.129 0.806 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.762 7.243 2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.328 6.701 4.268 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.117 3.876 1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.706 4.873 5.866 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.498 2.046 2.913 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.287 2.542 5.192 1.00 0.00 H new ATOM 520 N GLN A 35 -5.216 6.070 -0.735 1.00 0.00 N ATOM 521 CA GLN A 35 -5.982 5.210 -1.629 1.00 0.00 C ATOM 522 C GLN A 35 -5.074 4.201 -2.324 1.00 0.00 C ATOM 523 O GLN A 35 -4.248 4.569 -3.160 1.00 0.00 O ATOM 524 CB GLN A 35 -6.722 6.051 -2.670 1.00 0.00 C ATOM 525 CG GLN A 35 -5.837 7.069 -3.371 1.00 0.00 C ATOM 526 CD GLN A 35 -6.526 7.728 -4.549 1.00 0.00 C ATOM 527 OE1 GLN A 35 -6.733 8.942 -4.563 1.00 0.00 O ATOM 528 NE2 GLN A 35 -6.887 6.930 -5.547 1.00 0.00 N ATOM 0 H GLN A 35 -4.341 6.415 -1.129 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.711 4.663 -1.030 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.160 5.388 -3.416 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.547 6.572 -2.184 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.535 7.835 -2.657 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.927 6.578 -3.716 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.696 5.929 -5.494 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.355 7.318 -6.366 1.00 0.00 H new ATOM 537 N ILE A 36 -5.232 2.930 -1.974 1.00 0.00 N ATOM 538 CA ILE A 36 -4.427 1.869 -2.566 1.00 0.00 C ATOM 539 C ILE A 36 -5.023 1.399 -3.888 1.00 0.00 C ATOM 540 O ILE A 36 -6.242 1.306 -4.034 1.00 0.00 O ATOM 541 CB ILE A 36 -4.299 0.663 -1.616 1.00 0.00 C ATOM 542 CG1 ILE A 36 -3.514 1.055 -0.363 1.00 0.00 C ATOM 543 CG2 ILE A 36 -3.625 -0.502 -2.327 1.00 0.00 C ATOM 544 CD1 ILE A 36 -3.538 -0.001 0.720 1.00 0.00 C ATOM 0 H ILE A 36 -5.910 2.609 -1.283 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.436 2.287 -2.745 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.298 0.350 -1.313 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.479 1.256 -0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.923 1.983 0.037 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.542 -1.347 -1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.220 -0.793 -3.193 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.630 -0.201 -2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.962 0.345 1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.568 -0.186 1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.102 -0.924 0.338 1.00 0.00 H new ATOM 556 N VAL A 37 -4.155 1.101 -4.850 1.00 0.00 N ATOM 557 CA VAL A 37 -4.595 0.638 -6.161 1.00 0.00 C ATOM 558 C VAL A 37 -3.612 -0.371 -6.745 1.00 0.00 C ATOM 559 O VAL A 37 -2.444 -0.056 -6.971 1.00 0.00 O ATOM 560 CB VAL A 37 -4.757 1.810 -7.146 1.00 0.00 C ATOM 561 CG1 VAL A 37 -5.140 1.299 -8.526 1.00 0.00 C ATOM 562 CG2 VAL A 37 -5.789 2.801 -6.629 1.00 0.00 C ATOM 0 H VAL A 37 -3.143 1.172 -4.746 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.563 0.158 -6.018 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.801 2.327 -7.230 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.250 2.142 -9.208 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.361 0.632 -8.896 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.083 0.757 -8.464 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.891 3.623 -7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.750 2.299 -6.515 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.467 3.192 -5.664 1.00 0.00 H new ATOM 572 N TYR A 38 -4.094 -1.585 -6.987 1.00 0.00 N ATOM 573 CA TYR A 38 -3.257 -2.642 -7.544 1.00 0.00 C ATOM 574 C TYR A 38 -3.245 -2.581 -9.068 1.00 0.00 C ATOM 575 O TYR A 38 -4.181 -3.032 -9.728 1.00 0.00 O ATOM 576 CB TYR A 38 -3.755 -4.012 -7.082 1.00 0.00 C ATOM 577 CG TYR A 38 -2.915 -5.164 -7.585 1.00 0.00 C ATOM 578 CD1 TYR A 38 -1.786 -5.582 -6.891 1.00 0.00 C ATOM 579 CD2 TYR A 38 -3.249 -5.834 -8.756 1.00 0.00 C ATOM 580 CE1 TYR A 38 -1.015 -6.633 -7.348 1.00 0.00 C ATOM 581 CE2 TYR A 38 -2.485 -6.887 -9.219 1.00 0.00 C ATOM 582 CZ TYR A 38 -1.368 -7.282 -8.512 1.00 0.00 C ATOM 583 OH TYR A 38 -0.603 -8.330 -8.970 1.00 0.00 O ATOM 0 H TYR A 38 -5.059 -1.862 -6.807 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.239 -2.492 -7.184 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.772 -4.034 -5.992 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.782 -4.148 -7.419 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.507 -5.076 -5.979 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.121 -5.526 -9.313 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.140 -6.945 -6.796 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.760 -7.399 -10.129 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.989 -8.678 -9.801 1.00 0.00 H new ATOM 593 N LYS A 39 -2.176 -2.019 -9.622 1.00 0.00 N ATOM 594 CA LYS A 39 -2.037 -1.899 -11.069 1.00 0.00 C ATOM 595 C LYS A 39 -1.250 -3.074 -11.639 1.00 0.00 C ATOM 596 O LYS A 39 -0.139 -3.363 -11.195 1.00 0.00 O ATOM 597 CB LYS A 39 -1.342 -0.583 -11.428 1.00 0.00 C ATOM 598 CG LYS A 39 -2.076 0.649 -10.926 1.00 0.00 C ATOM 599 CD LYS A 39 -1.684 1.889 -11.711 1.00 0.00 C ATOM 600 CE LYS A 39 -2.826 2.892 -11.776 1.00 0.00 C ATOM 601 NZ LYS A 39 -2.809 3.827 -10.618 1.00 0.00 N ATOM 0 H LYS A 39 -1.393 -1.639 -9.091 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.035 -1.907 -11.507 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.334 -0.589 -11.013 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.241 -0.519 -12.511 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.151 0.491 -11.007 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.854 0.801 -9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.815 2.355 -11.247 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.391 1.604 -12.721 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.757 3.461 -12.703 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.777 2.359 -11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.602 4.494 -10.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.900 3.287 -9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.913 4.354 -10.611 1.00 0.00 H new ATOM 760 N GLU A 49 -7.077 -8.595 -4.261 1.00 0.00 N ATOM 761 CA GLU A 49 -7.687 -8.232 -2.987 1.00 0.00 C ATOM 762 C GLU A 49 -6.705 -8.432 -1.836 1.00 0.00 C ATOM 763 O GLU A 49 -6.504 -7.538 -1.016 1.00 0.00 O ATOM 764 CB GLU A 49 -8.950 -9.062 -2.746 1.00 0.00 C ATOM 765 CG GLU A 49 -8.727 -10.559 -2.876 1.00 0.00 C ATOM 766 CD GLU A 49 -10.026 -11.334 -2.987 1.00 0.00 C ATOM 767 OE1 GLU A 49 -11.022 -10.759 -3.473 1.00 0.00 O ATOM 768 OE2 GLU A 49 -10.046 -12.518 -2.587 1.00 0.00 O ATOM 0 HA GLU A 49 -7.957 -7.177 -3.031 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.332 -8.845 -1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.718 -8.754 -3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.114 -10.756 -3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.168 -10.916 -2.011 1.00 0.00 H new ATOM 775 N GLU A 50 -6.098 -9.614 -1.784 1.00 0.00 N ATOM 776 CA GLU A 50 -5.138 -9.932 -0.733 1.00 0.00 C ATOM 777 C GLU A 50 -4.077 -8.842 -0.616 1.00 0.00 C ATOM 778 O GLU A 50 -3.750 -8.393 0.482 1.00 0.00 O ATOM 779 CB GLU A 50 -4.471 -11.281 -1.013 1.00 0.00 C ATOM 780 CG GLU A 50 -5.275 -12.472 -0.518 1.00 0.00 C ATOM 781 CD GLU A 50 -6.755 -12.342 -0.820 1.00 0.00 C ATOM 782 OE1 GLU A 50 -7.458 -11.652 -0.052 1.00 0.00 O ATOM 783 OE2 GLU A 50 -7.211 -12.931 -1.822 1.00 0.00 O ATOM 0 H GLU A 50 -6.254 -10.366 -2.456 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.678 -9.991 0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.311 -11.382 -2.087 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.488 -11.296 -0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.892 -13.382 -0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.135 -12.578 0.558 1.00 0.00 H new ATOM 790 N VAL A 51 -3.542 -8.421 -1.758 1.00 0.00 N ATOM 791 CA VAL A 51 -2.518 -7.383 -1.785 1.00 0.00 C ATOM 792 C VAL A 51 -3.064 -6.059 -1.263 1.00 0.00 C ATOM 793 O VAL A 51 -2.550 -5.504 -0.291 1.00 0.00 O ATOM 794 CB VAL A 51 -1.968 -7.174 -3.209 1.00 0.00 C ATOM 795 CG1 VAL A 51 -0.909 -6.083 -3.218 1.00 0.00 C ATOM 796 CG2 VAL A 51 -1.409 -8.477 -3.760 1.00 0.00 C ATOM 0 H VAL A 51 -3.801 -8.783 -2.676 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.709 -7.719 -1.137 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.787 -6.856 -3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.532 -5.950 -4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.347 -5.148 -2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.088 -6.368 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.025 -8.311 -4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.602 -8.828 -3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.199 -9.227 -3.792 1.00 0.00 H new ATOM 806 N ILE A 52 -4.108 -5.558 -1.915 1.00 0.00 N ATOM 807 CA ILE A 52 -4.724 -4.299 -1.515 1.00 0.00 C ATOM 808 C ILE A 52 -5.148 -4.335 -0.051 1.00 0.00 C ATOM 809 O ILE A 52 -4.576 -3.639 0.789 1.00 0.00 O ATOM 810 CB ILE A 52 -5.953 -3.972 -2.385 1.00 0.00 C ATOM 811 CG1 ILE A 52 -5.538 -3.806 -3.849 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.642 -2.715 -1.878 1.00 0.00 C ATOM 813 CD1 ILE A 52 -6.683 -3.975 -4.824 1.00 0.00 C ATOM 0 H ILE A 52 -4.544 -6.004 -2.722 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.972 -3.522 -1.654 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.658 -4.800 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.099 -2.817 -3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.761 -4.534 -4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.508 -2.497 -2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.967 -2.868 -0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.946 -1.877 -1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.316 -3.844 -5.842 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.108 -4.973 -4.717 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.451 -3.230 -4.616 1.00 0.00 H new ATOM 825 N ARG A 53 -6.152 -5.151 0.249 1.00 0.00 N ATOM 826 CA ARG A 53 -6.652 -5.279 1.613 1.00 0.00 C ATOM 827 C ARG A 53 -5.501 -5.301 2.614 1.00 0.00 C ATOM 828 O ARG A 53 -5.494 -4.542 3.582 1.00 0.00 O ATOM 829 CB ARG A 53 -7.491 -6.551 1.755 1.00 0.00 C ATOM 830 CG ARG A 53 -8.961 -6.351 1.425 1.00 0.00 C ATOM 831 CD ARG A 53 -9.150 -5.862 -0.003 1.00 0.00 C ATOM 832 NE ARG A 53 -10.491 -5.329 -0.226 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.883 -4.779 -1.370 1.00 0.00 C ATOM 834 NH1 ARG A 53 -10.040 -4.692 -2.390 1.00 0.00 N ATOM 835 NH2 ARG A 53 -12.120 -4.317 -1.496 1.00 0.00 N ATOM 0 H ARG A 53 -6.636 -5.734 -0.434 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.279 -4.413 1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.082 -7.321 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.404 -6.921 2.776 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.497 -7.290 1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.396 -5.631 2.118 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.412 -5.090 -0.223 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.967 -6.684 -0.695 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.164 -5.382 0.539 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.089 -5.048 -2.297 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.343 -4.269 -3.267 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.771 -4.384 -0.714 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.420 -3.895 -2.375 1.00 0.00 H new ATOM 849 N GLU A 54 -4.531 -6.178 2.373 1.00 0.00 N ATOM 850 CA GLU A 54 -3.376 -6.300 3.255 1.00 0.00 C ATOM 851 C GLU A 54 -2.632 -4.972 3.364 1.00 0.00 C ATOM 852 O GLU A 54 -2.634 -4.331 4.416 1.00 0.00 O ATOM 853 CB GLU A 54 -2.429 -7.387 2.744 1.00 0.00 C ATOM 854 CG GLU A 54 -1.158 -7.523 3.566 1.00 0.00 C ATOM 855 CD GLU A 54 -1.408 -8.141 4.928 1.00 0.00 C ATOM 856 OE1 GLU A 54 -1.555 -9.379 4.999 1.00 0.00 O ATOM 857 OE2 GLU A 54 -1.455 -7.387 5.923 1.00 0.00 O ATOM 0 H GLU A 54 -4.522 -6.814 1.575 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.735 -6.578 4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.954 -8.342 2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.161 -7.167 1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.440 -8.135 3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.706 -6.540 3.695 1.00 0.00 H new ATOM 864 N LEU A 55 -1.997 -4.565 2.270 1.00 0.00 N ATOM 865 CA LEU A 55 -1.248 -3.314 2.241 1.00 0.00 C ATOM 866 C LEU A 55 -1.950 -2.240 3.065 1.00 0.00 C ATOM 867 O LEU A 55 -1.305 -1.362 3.638 1.00 0.00 O ATOM 868 CB LEU A 55 -1.074 -2.834 0.799 1.00 0.00 C ATOM 869 CG LEU A 55 0.178 -3.328 0.073 1.00 0.00 C ATOM 870 CD1 LEU A 55 0.038 -3.129 -1.428 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.415 -2.612 0.596 1.00 0.00 C ATOM 0 H LEU A 55 -1.986 -5.083 1.392 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.266 -3.497 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.948 -3.144 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.063 -1.744 0.799 1.00 0.00 H new ATOM 0 HG LEU A 55 0.291 -4.394 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.938 -3.486 -1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.824 -3.688 -1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.100 -2.069 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.296 -2.976 0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.311 -1.539 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.525 -2.807 1.663 1.00 0.00 H new ATOM 883 N ALA A 56 -3.276 -2.317 3.122 1.00 0.00 N ATOM 884 CA ALA A 56 -4.065 -1.354 3.880 1.00 0.00 C ATOM 885 C ALA A 56 -4.045 -1.678 5.370 1.00 0.00 C ATOM 886 O ALA A 56 -3.761 -0.815 6.199 1.00 0.00 O ATOM 887 CB ALA A 56 -5.496 -1.322 3.364 1.00 0.00 C ATOM 0 H ALA A 56 -3.826 -3.036 2.652 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.619 -0.369 3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.074 -0.599 3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.497 -1.034 2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.943 -2.310 3.470 1.00 0.00 H new ATOM 893 N GLY A 57 -4.348 -2.929 5.703 1.00 0.00 N ATOM 894 CA GLY A 57 -4.359 -3.345 7.093 1.00 0.00 C ATOM 895 C GLY A 57 -3.095 -2.944 7.828 1.00 0.00 C ATOM 896 O GLY A 57 -3.121 -2.707 9.037 1.00 0.00 O ATOM 0 H GLY A 57 -4.586 -3.662 5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.222 -2.906 7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.478 -4.427 7.144 1.00 0.00 H new ATOM 900 N ILE A 58 -1.987 -2.868 7.099 1.00 0.00 N ATOM 901 CA ILE A 58 -0.708 -2.494 7.691 1.00 0.00 C ATOM 902 C ILE A 58 -0.678 -1.009 8.039 1.00 0.00 C ATOM 903 O ILE A 58 -0.394 -0.633 9.176 1.00 0.00 O ATOM 904 CB ILE A 58 0.464 -2.812 6.744 1.00 0.00 C ATOM 905 CG1 ILE A 58 0.442 -4.289 6.348 1.00 0.00 C ATOM 906 CG2 ILE A 58 1.788 -2.455 7.403 1.00 0.00 C ATOM 907 CD1 ILE A 58 1.180 -4.581 5.060 1.00 0.00 C ATOM 0 H ILE A 58 -1.949 -3.060 6.098 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.597 -3.081 8.603 1.00 0.00 H new ATOM 0 HB ILE A 58 0.355 -2.212 5.841 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.883 -4.879 7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.593 -4.614 6.246 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.607 -2.685 6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.801 -1.391 7.640 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.905 -3.032 8.320 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.123 -5.647 4.842 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.725 -4.019 4.245 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.225 -4.288 5.165 1.00 0.00 H new ATOM 919 N VAL A 59 -0.974 -0.169 7.052 1.00 0.00 N ATOM 920 CA VAL A 59 -0.983 1.274 7.254 1.00 0.00 C ATOM 921 C VAL A 59 -1.577 1.636 8.611 1.00 0.00 C ATOM 922 O VAL A 59 -0.955 2.345 9.403 1.00 0.00 O ATOM 923 CB VAL A 59 -1.783 1.990 6.150 1.00 0.00 C ATOM 924 CG1 VAL A 59 -1.859 3.484 6.428 1.00 0.00 C ATOM 925 CG2 VAL A 59 -1.164 1.724 4.786 1.00 0.00 C ATOM 0 H VAL A 59 -1.211 -0.464 6.105 1.00 0.00 H new ATOM 0 HA VAL A 59 0.055 1.605 7.215 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.798 1.594 6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.428 3.973 5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.351 3.651 7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.852 3.900 6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.742 2.238 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.138 2.091 4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.168 0.652 4.587 1.00 0.00 H new ATOM 935 N CYS A 60 -2.782 1.143 8.874 1.00 0.00 N ATOM 936 CA CYS A 60 -3.460 1.414 10.137 1.00 0.00 C ATOM 937 C CYS A 60 -2.614 0.951 11.318 1.00 0.00 C ATOM 938 O CYS A 60 -2.563 1.612 12.356 1.00 0.00 O ATOM 939 CB CYS A 60 -4.822 0.719 10.167 1.00 0.00 C ATOM 940 SG CYS A 60 -6.075 1.506 9.127 1.00 0.00 S ATOM 0 H CYS A 60 -3.310 0.554 8.230 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.607 2.491 10.219 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.697 -0.316 9.847 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.182 0.693 11.195 1.00 0.00 H new ATOM 0 HG CYS A 60 -6.071 2.789 9.338 1.00 0.00 H new ATOM 946 N THR A 61 -1.951 -0.189 11.155 1.00 0.00 N ATOM 947 CA THR A 61 -1.110 -0.742 12.209 1.00 0.00 C ATOM 948 C THR A 61 -0.069 0.272 12.670 1.00 0.00 C ATOM 949 O THR A 61 0.331 0.281 13.835 1.00 0.00 O ATOM 950 CB THR A 61 -0.391 -2.022 11.741 1.00 0.00 C ATOM 951 OG1 THR A 61 -1.343 -2.956 11.222 1.00 0.00 O ATOM 952 CG2 THR A 61 0.381 -2.659 12.886 1.00 0.00 C ATOM 0 H THR A 61 -1.980 -0.748 10.302 1.00 0.00 H new ATOM 0 HA THR A 61 -1.768 -0.988 13.042 1.00 0.00 H new ATOM 0 HB THR A 61 0.315 -1.750 10.956 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.701 -2.621 10.374 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.880 -3.561 12.531 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.125 -1.955 13.259 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.308 -2.918 13.690 1.00 0.00 H new ATOM 960 N LEU A 62 0.366 1.126 11.750 1.00 0.00 N ATOM 961 CA LEU A 62 1.361 2.146 12.062 1.00 0.00 C ATOM 962 C LEU A 62 0.767 3.230 12.957 1.00 0.00 C ATOM 963 O LEU A 62 1.131 3.351 14.126 1.00 0.00 O ATOM 964 CB LEU A 62 1.901 2.771 10.775 1.00 0.00 C ATOM 965 CG LEU A 62 2.455 1.796 9.736 1.00 0.00 C ATOM 966 CD1 LEU A 62 2.614 2.483 8.389 1.00 0.00 C ATOM 967 CD2 LEU A 62 3.784 1.218 10.202 1.00 0.00 C ATOM 0 H LEU A 62 0.045 1.132 10.782 1.00 0.00 H new ATOM 0 HA LEU A 62 2.181 1.667 12.597 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.101 3.348 10.312 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.690 3.475 11.040 1.00 0.00 H new ATOM 0 HG LEU A 62 1.745 0.977 9.621 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.009 1.773 7.663 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.644 2.847 8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.302 3.322 8.488 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.164 0.526 9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.501 2.026 10.347 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.640 0.688 11.143 1.00 0.00 H new ATOM 979 N ASN A 63 -0.150 4.013 12.399 1.00 0.00 N ATOM 980 CA ASN A 63 -0.796 5.086 13.148 1.00 0.00 C ATOM 981 C ASN A 63 -2.314 4.942 13.104 1.00 0.00 C ATOM 982 O ASN A 63 -2.921 4.980 12.034 1.00 0.00 O ATOM 983 CB ASN A 63 -0.385 6.448 12.584 1.00 0.00 C ATOM 984 CG ASN A 63 -0.408 7.539 13.636 1.00 0.00 C ATOM 985 OD1 ASN A 63 -1.095 7.424 14.652 1.00 0.00 O ATOM 986 ND2 ASN A 63 0.344 8.607 13.397 1.00 0.00 N ATOM 0 H ASN A 63 -0.463 3.925 11.432 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.472 5.017 14.187 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.617 6.376 12.161 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.056 6.718 11.769 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.368 9.374 14.069 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.897 8.660 12.542 1.00 0.00 H new ATOM 993 N SER A 64 -2.921 4.777 14.275 1.00 0.00 N ATOM 994 CA SER A 64 -4.368 4.624 14.371 1.00 0.00 C ATOM 995 C SER A 64 -5.084 5.783 13.684 1.00 0.00 C ATOM 996 O SER A 64 -6.223 5.647 13.241 1.00 0.00 O ATOM 997 CB SER A 64 -4.798 4.541 15.837 1.00 0.00 C ATOM 998 OG SER A 64 -6.203 4.402 15.950 1.00 0.00 O ATOM 0 H SER A 64 -2.433 4.746 15.170 1.00 0.00 H new ATOM 0 HA SER A 64 -4.644 3.698 13.866 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.306 3.694 16.316 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.475 5.438 16.365 1.00 0.00 H new ATOM 0 HG SER A 64 -6.451 4.350 16.897 1.00 0.00 H new ATOM 1004 N GLU A 65 -4.405 6.924 13.602 1.00 0.00 N ATOM 1005 CA GLU A 65 -4.976 8.108 12.971 1.00 0.00 C ATOM 1006 C GLU A 65 -5.129 7.902 11.467 1.00 0.00 C ATOM 1007 O GLU A 65 -5.952 8.550 10.821 1.00 0.00 O ATOM 1008 CB GLU A 65 -4.099 9.331 13.243 1.00 0.00 C ATOM 1009 CG GLU A 65 -3.996 9.691 14.716 1.00 0.00 C ATOM 1010 CD GLU A 65 -5.076 10.659 15.157 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -6.269 10.302 15.058 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -4.729 11.774 15.600 1.00 0.00 O ATOM 0 H GLU A 65 -3.460 7.053 13.964 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.964 8.276 13.400 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.099 9.144 12.853 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.500 10.184 12.696 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.062 8.782 15.314 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.018 10.130 14.911 1.00 0.00 H new ATOM 1019 N ASN A 66 -4.329 6.996 10.915 1.00 0.00 N ATOM 1020 CA ASN A 66 -4.373 6.705 9.487 1.00 0.00 C ATOM 1021 C ASN A 66 -5.690 6.034 9.109 1.00 0.00 C ATOM 1022 O ASN A 66 -6.157 5.125 9.796 1.00 0.00 O ATOM 1023 CB ASN A 66 -3.199 5.807 9.091 1.00 0.00 C ATOM 1024 CG ASN A 66 -1.870 6.339 9.592 1.00 0.00 C ATOM 1025 OD1 ASN A 66 -1.670 7.550 9.689 1.00 0.00 O ATOM 1026 ND2 ASN A 66 -0.954 5.433 9.914 1.00 0.00 N ATOM 0 H ASN A 66 -3.642 6.450 11.435 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.298 7.649 8.947 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.360 4.806 9.490 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.165 5.716 8.005 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.041 5.731 10.258 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.163 4.439 9.818 1.00 0.00 H new ATOM 1033 N LYS A 67 -6.286 6.488 8.011 1.00 0.00 N ATOM 1034 CA LYS A 67 -7.549 5.932 7.540 1.00 0.00 C ATOM 1035 C LYS A 67 -7.605 5.928 6.015 1.00 0.00 C ATOM 1036 O LYS A 67 -7.733 6.978 5.386 1.00 0.00 O ATOM 1037 CB LYS A 67 -8.724 6.734 8.102 1.00 0.00 C ATOM 1038 CG LYS A 67 -9.159 6.286 9.487 1.00 0.00 C ATOM 1039 CD LYS A 67 -10.065 7.312 10.146 1.00 0.00 C ATOM 1040 CE LYS A 67 -11.488 7.219 9.619 1.00 0.00 C ATOM 1041 NZ LYS A 67 -12.231 8.498 9.798 1.00 0.00 N ATOM 0 H LYS A 67 -5.914 7.240 7.431 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.619 4.903 7.892 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.449 7.788 8.140 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.570 6.650 7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.681 5.332 9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.280 6.122 10.110 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.065 7.159 11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.674 8.313 9.966 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.467 6.956 8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.015 6.417 10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.197 8.393 9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.273 8.736 10.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.742 9.258 9.283 1.00 0.00 H new ATOM 1055 N VAL A 68 -7.511 4.739 5.427 1.00 0.00 N ATOM 1056 CA VAL A 68 -7.554 4.599 3.977 1.00 0.00 C ATOM 1057 C VAL A 68 -8.876 5.108 3.414 1.00 0.00 C ATOM 1058 O VAL A 68 -9.942 4.582 3.733 1.00 0.00 O ATOM 1059 CB VAL A 68 -7.358 3.132 3.549 1.00 0.00 C ATOM 1060 CG1 VAL A 68 -8.321 2.224 4.299 1.00 0.00 C ATOM 1061 CG2 VAL A 68 -7.538 2.987 2.045 1.00 0.00 C ATOM 0 H VAL A 68 -7.405 3.860 5.933 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.737 5.199 3.577 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.341 2.831 3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.168 1.192 3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.139 2.307 5.371 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.347 2.522 4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.396 1.944 1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.542 3.306 1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.805 3.607 1.529 1.00 0.00 H new ATOM 1071 N ASP A 69 -8.799 6.136 2.576 1.00 0.00 N ATOM 1072 CA ASP A 69 -9.990 6.716 1.966 1.00 0.00 C ATOM 1073 C ASP A 69 -9.882 6.707 0.445 1.00 0.00 C ATOM 1074 O ASP A 69 -8.795 6.869 -0.112 1.00 0.00 O ATOM 1075 CB ASP A 69 -10.199 8.147 2.466 1.00 0.00 C ATOM 1076 CG ASP A 69 -11.658 8.556 2.459 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -12.411 8.053 1.598 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -12.048 9.377 3.314 1.00 0.00 O ATOM 0 H ASP A 69 -7.924 6.585 2.304 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.848 6.109 2.254 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.805 8.236 3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.629 8.834 1.840 1.00 0.00 H new ATOM 1083 N LEU A 70 -11.014 6.515 -0.222 1.00 0.00 N ATOM 1084 CA LEU A 70 -11.047 6.484 -1.680 1.00 0.00 C ATOM 1085 C LEU A 70 -11.730 7.729 -2.237 1.00 0.00 C ATOM 1086 O LEU A 70 -11.929 7.854 -3.446 1.00 0.00 O ATOM 1087 CB LEU A 70 -11.775 5.229 -2.167 1.00 0.00 C ATOM 1088 CG LEU A 70 -11.304 3.905 -1.564 1.00 0.00 C ATOM 1089 CD1 LEU A 70 -12.281 2.788 -1.900 1.00 0.00 C ATOM 1090 CD2 LEU A 70 -9.907 3.560 -2.058 1.00 0.00 C ATOM 0 H LEU A 70 -11.921 6.378 0.223 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.019 6.464 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.838 5.344 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.671 5.170 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.267 4.015 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.930 1.853 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.264 3.031 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.350 2.679 -2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.589 2.615 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.917 3.470 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.213 4.348 -1.766 1.00 0.00 H new ATOM 1102 N THR A 71 -12.087 8.650 -1.347 1.00 0.00 N ATOM 1103 CA THR A 71 -12.747 9.886 -1.749 1.00 0.00 C ATOM 1104 C THR A 71 -11.811 11.080 -1.606 1.00 0.00 C ATOM 1105 O THR A 71 -11.533 11.782 -2.576 1.00 0.00 O ATOM 1106 CB THR A 71 -14.017 10.141 -0.916 1.00 0.00 C ATOM 1107 OG1 THR A 71 -14.862 8.985 -0.944 1.00 0.00 O ATOM 1108 CG2 THR A 71 -14.780 11.345 -1.447 1.00 0.00 C ATOM 0 H THR A 71 -11.930 8.563 -0.343 1.00 0.00 H new ATOM 0 HA THR A 71 -13.026 9.770 -2.796 1.00 0.00 H new ATOM 0 HB THR A 71 -13.715 10.346 0.111 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.666 9.155 -0.411 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.673 11.505 -0.843 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.145 12.229 -1.397 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.070 11.164 -2.482 1.00 0.00 H new ATOM 1116 N ASN A 72 -11.327 11.304 -0.388 1.00 0.00 N ATOM 1117 CA ASN A 72 -10.421 12.415 -0.118 1.00 0.00 C ATOM 1118 C ASN A 72 -9.080 11.908 0.403 1.00 0.00 C ATOM 1119 O ASN A 72 -8.611 12.303 1.471 1.00 0.00 O ATOM 1120 CB ASN A 72 -11.046 13.375 0.896 1.00 0.00 C ATOM 1121 CG ASN A 72 -11.869 14.462 0.233 1.00 0.00 C ATOM 1122 OD1 ASN A 72 -13.088 14.516 0.391 1.00 0.00 O ATOM 1123 ND2 ASN A 72 -11.203 15.334 -0.515 1.00 0.00 N ATOM 0 H ASN A 72 -11.547 10.731 0.427 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.249 12.948 -1.053 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.678 12.812 1.583 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.257 13.833 1.492 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.703 16.088 -0.987 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.192 15.250 -0.617 1.00 0.00 H new ATOM 1130 N PRO A 73 -8.445 11.013 -0.368 1.00 0.00 N ATOM 1131 CA PRO A 73 -7.148 10.433 -0.005 1.00 0.00 C ATOM 1132 C PRO A 73 -6.016 11.451 -0.086 1.00 0.00 C ATOM 1133 O PRO A 73 -5.878 12.161 -1.081 1.00 0.00 O ATOM 1134 CB PRO A 73 -6.949 9.329 -1.046 1.00 0.00 C ATOM 1135 CG PRO A 73 -7.760 9.762 -2.218 1.00 0.00 C ATOM 1136 CD PRO A 73 -8.945 10.497 -1.653 1.00 0.00 C ATOM 0 HA PRO A 73 -7.135 10.074 1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.897 9.220 -1.311 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.284 8.363 -0.668 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.179 10.407 -2.878 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.079 8.904 -2.810 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.269 11.303 -2.311 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.800 9.835 -1.515 1.00 0.00 H new ATOM 1144 N GLN A 74 -5.208 11.516 0.968 1.00 0.00 N ATOM 1145 CA GLN A 74 -4.088 12.448 1.015 1.00 0.00 C ATOM 1146 C GLN A 74 -2.868 11.870 0.304 1.00 0.00 C ATOM 1147 O GLN A 74 -2.100 12.598 -0.325 1.00 0.00 O ATOM 1148 CB GLN A 74 -3.736 12.783 2.466 1.00 0.00 C ATOM 1149 CG GLN A 74 -4.763 13.669 3.151 1.00 0.00 C ATOM 1150 CD GLN A 74 -4.201 14.380 4.367 1.00 0.00 C ATOM 1151 OE1 GLN A 74 -3.312 15.225 4.250 1.00 0.00 O ATOM 1152 NE2 GLN A 74 -4.718 14.043 5.542 1.00 0.00 N ATOM 0 H GLN A 74 -5.308 10.935 1.800 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.387 13.361 0.501 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.634 11.856 3.030 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.766 13.279 2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.131 14.409 2.440 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.618 13.063 3.452 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.453 13.338 5.592 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.380 14.489 6.395 1.00 0.00 H new ATOM 1161 N TYR A 75 -2.697 10.557 0.408 1.00 0.00 N ATOM 1162 CA TYR A 75 -1.569 9.881 -0.222 1.00 0.00 C ATOM 1163 C TYR A 75 -2.042 8.692 -1.053 1.00 0.00 C ATOM 1164 O TYR A 75 -2.731 7.802 -0.551 1.00 0.00 O ATOM 1165 CB TYR A 75 -0.571 9.412 0.838 1.00 0.00 C ATOM 1166 CG TYR A 75 -0.185 10.490 1.825 1.00 0.00 C ATOM 1167 CD1 TYR A 75 0.833 11.391 1.537 1.00 0.00 C ATOM 1168 CD2 TYR A 75 -0.839 10.609 3.045 1.00 0.00 C ATOM 1169 CE1 TYR A 75 1.190 12.377 2.436 1.00 0.00 C ATOM 1170 CE2 TYR A 75 -0.490 11.593 3.950 1.00 0.00 C ATOM 1171 CZ TYR A 75 0.525 12.475 3.641 1.00 0.00 C ATOM 1172 OH TYR A 75 0.877 13.457 4.539 1.00 0.00 O ATOM 0 H TYR A 75 -3.325 9.939 0.923 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.076 10.592 -0.885 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.000 8.570 1.382 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.328 9.046 0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.354 11.319 0.594 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.634 9.920 3.290 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.985 13.067 2.197 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.009 11.671 4.894 1.00 0.00 H new ATOM 0 HH TYR A 75 0.311 13.389 5.336 1.00 0.00 H new ATOM 1182 N THR A 76 -1.666 8.682 -2.328 1.00 0.00 N ATOM 1183 CA THR A 76 -2.051 7.604 -3.230 1.00 0.00 C ATOM 1184 C THR A 76 -0.944 6.562 -3.345 1.00 0.00 C ATOM 1185 O THR A 76 0.096 6.810 -3.955 1.00 0.00 O ATOM 1186 CB THR A 76 -2.384 8.139 -4.635 1.00 0.00 C ATOM 1187 OG1 THR A 76 -3.403 9.141 -4.549 1.00 0.00 O ATOM 1188 CG2 THR A 76 -2.847 7.013 -5.548 1.00 0.00 C ATOM 0 H THR A 76 -1.095 9.409 -2.759 1.00 0.00 H new ATOM 0 HA THR A 76 -2.941 7.140 -2.806 1.00 0.00 H new ATOM 0 HB THR A 76 -1.479 8.577 -5.056 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.608 9.477 -5.446 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.076 7.416 -6.535 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.057 6.267 -5.635 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.740 6.549 -5.129 1.00 0.00 H new ATOM 1196 N VAL A 77 -1.174 5.393 -2.755 1.00 0.00 N ATOM 1197 CA VAL A 77 -0.197 4.312 -2.792 1.00 0.00 C ATOM 1198 C VAL A 77 -0.568 3.272 -3.844 1.00 0.00 C ATOM 1199 O VAL A 77 -1.432 2.425 -3.617 1.00 0.00 O ATOM 1200 CB VAL A 77 -0.074 3.619 -1.422 1.00 0.00 C ATOM 1201 CG1 VAL A 77 0.934 4.346 -0.545 1.00 0.00 C ATOM 1202 CG2 VAL A 77 -1.431 3.543 -0.740 1.00 0.00 C ATOM 0 H VAL A 77 -2.029 5.171 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 77 0.762 4.761 -3.051 1.00 0.00 H new ATOM 0 HB VAL A 77 0.285 2.602 -1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.008 3.842 0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.909 4.342 -1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.608 5.375 -0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.325 3.050 0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.821 4.550 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.120 2.974 -1.364 1.00 0.00 H new ATOM 1212 N VAL A 78 0.091 3.343 -4.996 1.00 0.00 N ATOM 1213 CA VAL A 78 -0.168 2.407 -6.084 1.00 0.00 C ATOM 1214 C VAL A 78 0.905 1.325 -6.145 1.00 0.00 C ATOM 1215 O VAL A 78 2.075 1.579 -5.857 1.00 0.00 O ATOM 1216 CB VAL A 78 -0.232 3.129 -7.443 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -1.175 4.320 -7.371 1.00 0.00 C ATOM 1218 CG2 VAL A 78 1.159 3.565 -7.879 1.00 0.00 C ATOM 0 H VAL A 78 0.808 4.039 -5.200 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.134 1.945 -5.881 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.620 2.434 -8.187 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.207 4.818 -8.340 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.175 3.977 -7.106 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.819 5.020 -6.615 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.096 4.074 -8.841 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.577 4.244 -7.136 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.802 2.690 -7.973 1.00 0.00 H new ATOM 1228 N VAL A 79 0.499 0.117 -6.523 1.00 0.00 N ATOM 1229 CA VAL A 79 1.426 -1.004 -6.624 1.00 0.00 C ATOM 1230 C VAL A 79 1.401 -1.613 -8.021 1.00 0.00 C ATOM 1231 O VAL A 79 0.477 -2.347 -8.372 1.00 0.00 O ATOM 1232 CB VAL A 79 1.097 -2.099 -5.592 1.00 0.00 C ATOM 1233 CG1 VAL A 79 1.412 -1.617 -4.184 1.00 0.00 C ATOM 1234 CG2 VAL A 79 -0.360 -2.519 -5.708 1.00 0.00 C ATOM 0 H VAL A 79 -0.466 -0.110 -6.764 1.00 0.00 H new ATOM 0 HA VAL A 79 2.422 -0.611 -6.420 1.00 0.00 H new ATOM 0 HB VAL A 79 1.719 -2.969 -5.800 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.173 -2.404 -3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.471 -1.370 -4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.817 -0.731 -3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.575 -3.293 -4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.003 -1.657 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.548 -2.908 -6.709 1.00 0.00 H new ATOM 1244 N GLU A 80 2.422 -1.305 -8.814 1.00 0.00 N ATOM 1245 CA GLU A 80 2.516 -1.823 -10.174 1.00 0.00 C ATOM 1246 C GLU A 80 3.299 -3.133 -10.205 1.00 0.00 C ATOM 1247 O GLU A 80 4.236 -3.326 -9.430 1.00 0.00 O ATOM 1248 CB GLU A 80 3.184 -0.795 -11.090 1.00 0.00 C ATOM 1249 CG GLU A 80 3.325 -1.263 -12.529 1.00 0.00 C ATOM 1250 CD GLU A 80 3.487 -0.112 -13.503 1.00 0.00 C ATOM 1251 OE1 GLU A 80 3.886 0.986 -13.064 1.00 0.00 O ATOM 1252 OE2 GLU A 80 3.214 -0.311 -14.706 1.00 0.00 O ATOM 0 H GLU A 80 3.195 -0.700 -8.539 1.00 0.00 H new ATOM 0 HA GLU A 80 1.505 -2.016 -10.532 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.603 0.127 -11.072 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.172 -0.557 -10.696 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.187 -1.926 -12.609 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.447 -1.847 -12.805 1.00 0.00 H new ATOM 1259 N ILE A 81 2.907 -4.028 -11.104 1.00 0.00 N ATOM 1260 CA ILE A 81 3.571 -5.319 -11.236 1.00 0.00 C ATOM 1261 C ILE A 81 4.343 -5.408 -12.548 1.00 0.00 C ATOM 1262 O ILE A 81 3.750 -5.497 -13.624 1.00 0.00 O ATOM 1263 CB ILE A 81 2.563 -6.481 -11.167 1.00 0.00 C ATOM 1264 CG1 ILE A 81 1.616 -6.293 -9.980 1.00 0.00 C ATOM 1265 CG2 ILE A 81 3.294 -7.811 -11.062 1.00 0.00 C ATOM 1266 CD1 ILE A 81 2.250 -6.613 -8.644 1.00 0.00 C ATOM 0 H ILE A 81 2.133 -3.883 -11.752 1.00 0.00 H new ATOM 0 HA ILE A 81 4.267 -5.403 -10.401 1.00 0.00 H new ATOM 0 HB ILE A 81 1.972 -6.485 -12.083 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.262 -5.262 -9.968 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.741 -6.928 -10.119 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.568 -8.622 -11.014 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.932 -7.946 -11.936 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.907 -7.819 -10.161 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.521 -6.457 -7.849 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.579 -7.652 -8.637 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.108 -5.960 -8.483 1.00 0.00 H new ATOM 1356 N CYS A 87 6.110 -2.543 -7.332 1.00 0.00 N ATOM 1357 CA CYS A 87 6.510 -1.148 -7.474 1.00 0.00 C ATOM 1358 C CYS A 87 5.559 -0.230 -6.714 1.00 0.00 C ATOM 1359 O CYS A 87 4.445 0.041 -7.167 1.00 0.00 O ATOM 1360 CB CYS A 87 6.547 -0.754 -8.951 1.00 0.00 C ATOM 1361 SG CYS A 87 7.659 0.623 -9.320 1.00 0.00 S ATOM 0 HA CYS A 87 7.509 -1.037 -7.051 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.851 -1.620 -9.539 1.00 0.00 H new ATOM 0 HB3 CYS A 87 5.539 -0.489 -9.271 1.00 0.00 H new ATOM 0 HG CYS A 87 7.623 0.880 -10.594 1.00 0.00 H new ATOM 1367 N LEU A 88 6.003 0.246 -5.556 1.00 0.00 N ATOM 1368 CA LEU A 88 5.190 1.134 -4.731 1.00 0.00 C ATOM 1369 C LEU A 88 5.460 2.595 -5.075 1.00 0.00 C ATOM 1370 O LEU A 88 6.589 3.072 -4.960 1.00 0.00 O ATOM 1371 CB LEU A 88 5.474 0.886 -3.249 1.00 0.00 C ATOM 1372 CG LEU A 88 4.642 -0.210 -2.580 1.00 0.00 C ATOM 1373 CD1 LEU A 88 5.301 -1.568 -2.764 1.00 0.00 C ATOM 1374 CD2 LEU A 88 4.448 0.095 -1.102 1.00 0.00 C ATOM 0 H LEU A 88 6.921 0.032 -5.167 1.00 0.00 H new ATOM 0 HA LEU A 88 4.141 0.920 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.528 0.632 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.313 1.818 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 88 3.662 -0.237 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.695 -2.335 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.387 -1.789 -3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.294 -1.554 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.854 -0.695 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.420 0.151 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.931 1.048 -0.992 1.00 0.00 H new ATOM 1386 N SER A 89 4.415 3.301 -5.495 1.00 0.00 N ATOM 1387 CA SER A 89 4.539 4.709 -5.856 1.00 0.00 C ATOM 1388 C SER A 89 3.614 5.572 -5.004 1.00 0.00 C ATOM 1389 O SER A 89 2.395 5.404 -5.025 1.00 0.00 O ATOM 1390 CB SER A 89 4.218 4.906 -7.339 1.00 0.00 C ATOM 1391 OG SER A 89 3.744 6.218 -7.587 1.00 0.00 O ATOM 0 H SER A 89 3.473 2.922 -5.594 1.00 0.00 H new ATOM 0 HA SER A 89 5.568 5.018 -5.670 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.111 4.719 -7.936 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.468 4.180 -7.652 1.00 0.00 H new ATOM 0 HG SER A 89 3.547 6.320 -8.542 1.00 0.00 H new ATOM 1397 N VAL A 90 4.204 6.498 -4.254 1.00 0.00 N ATOM 1398 CA VAL A 90 3.434 7.390 -3.395 1.00 0.00 C ATOM 1399 C VAL A 90 3.264 8.761 -4.038 1.00 0.00 C ATOM 1400 O VAL A 90 4.243 9.431 -4.368 1.00 0.00 O ATOM 1401 CB VAL A 90 4.105 7.561 -2.019 1.00 0.00 C ATOM 1402 CG1 VAL A 90 3.219 8.376 -1.090 1.00 0.00 C ATOM 1403 CG2 VAL A 90 4.423 6.203 -1.410 1.00 0.00 C ATOM 0 H VAL A 90 5.212 6.650 -4.224 1.00 0.00 H new ATOM 0 HA VAL A 90 2.455 6.931 -3.260 1.00 0.00 H new ATOM 0 HB VAL A 90 5.042 8.102 -2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.710 8.486 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.046 9.361 -1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.265 7.866 -0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.897 6.342 -0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.501 5.635 -1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.099 5.658 -2.069 1.00 0.00 H new ATOM 1413 N VAL A 91 2.013 9.174 -4.215 1.00 0.00 N ATOM 1414 CA VAL A 91 1.712 10.467 -4.818 1.00 0.00 C ATOM 1415 C VAL A 91 0.857 11.322 -3.889 1.00 0.00 C ATOM 1416 O VAL A 91 -0.236 10.921 -3.488 1.00 0.00 O ATOM 1417 CB VAL A 91 0.982 10.303 -6.164 1.00 0.00 C ATOM 1418 CG1 VAL A 91 0.635 11.662 -6.753 1.00 0.00 C ATOM 1419 CG2 VAL A 91 1.828 9.493 -7.134 1.00 0.00 C ATOM 0 H VAL A 91 1.191 8.631 -3.949 1.00 0.00 H new ATOM 0 HA VAL A 91 2.666 10.965 -4.989 1.00 0.00 H new ATOM 0 HB VAL A 91 0.052 9.762 -5.989 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.120 11.526 -7.704 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.013 12.203 -6.063 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.549 12.233 -6.914 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.296 9.387 -8.080 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.775 10.004 -7.305 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.020 8.506 -6.713 1.00 0.00 H new ATOM 1429 N LYS A 92 1.362 12.503 -3.549 1.00 0.00 N ATOM 1430 CA LYS A 92 0.645 13.417 -2.668 1.00 0.00 C ATOM 1431 C LYS A 92 -0.267 14.341 -3.469 1.00 0.00 C ATOM 1432 O LYS A 92 0.195 15.294 -4.096 1.00 0.00 O ATOM 1433 CB LYS A 92 1.633 14.246 -1.846 1.00 0.00 C ATOM 1434 CG LYS A 92 1.008 14.910 -0.631 1.00 0.00 C ATOM 1435 CD LYS A 92 2.059 15.563 0.251 1.00 0.00 C ATOM 1436 CE LYS A 92 1.489 16.750 1.013 1.00 0.00 C ATOM 1437 NZ LYS A 92 2.559 17.665 1.495 1.00 0.00 N ATOM 0 H LYS A 92 2.266 12.850 -3.871 1.00 0.00 H new ATOM 0 HA LYS A 92 0.029 12.823 -1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.449 13.602 -1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.069 15.014 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.287 15.660 -0.956 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.457 14.168 -0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.450 14.830 0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.897 15.892 -0.363 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.804 17.300 0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.908 16.391 1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.130 18.461 2.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.199 17.147 2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.097 18.028 0.683 1.00 0.00 H new