USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 488 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 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.671 K(o=-0.67,f=-3.8!) USER MOD Single : A 33 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.746) USER MOD Single : A 36 LYS NZ :NH3+ -153:sc= -1.97! (180deg=-3.14!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.576 USER MOD Single : A 52 THR OG1 : rot 18:sc= -0.669 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -147:sc= 0.531 USER MOD Single : A 59 THR OG1 : rot -29:sc= -0.241 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0698 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -30:sc= 0.26 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0658) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 12 -5.733 5.983 -9.916 1.00 0.00 N ATOM 133 CA GLU A 12 -4.680 6.488 -9.042 1.00 0.00 C ATOM 134 C GLU A 12 -4.887 6.009 -7.608 1.00 0.00 C ATOM 135 O GLU A 12 -4.736 6.778 -6.658 1.00 0.00 O ATOM 136 CB GLU A 12 -4.643 8.017 -9.081 1.00 0.00 C ATOM 137 CG GLU A 12 -3.726 8.577 -10.155 1.00 0.00 C ATOM 138 CD GLU A 12 -4.384 8.617 -11.521 1.00 0.00 C ATOM 139 OE1 GLU A 12 -5.560 9.029 -11.602 1.00 0.00 O ATOM 140 OE2 GLU A 12 -3.722 8.236 -12.509 1.00 0.00 O ATOM 0 HA GLU A 12 -3.727 6.100 -9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.653 8.392 -9.246 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.319 8.389 -8.109 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.417 9.584 -9.875 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.822 7.970 -10.209 1.00 0.00 H new ATOM 147 N ILE A 13 -5.235 4.735 -7.460 1.00 0.00 N ATOM 148 CA ILE A 13 -5.462 4.154 -6.143 1.00 0.00 C ATOM 149 C ILE A 13 -5.002 2.701 -6.096 1.00 0.00 C ATOM 150 O ILE A 13 -5.303 1.915 -6.996 1.00 0.00 O ATOM 151 CB ILE A 13 -6.949 4.224 -5.746 1.00 0.00 C ATOM 152 CG1 ILE A 13 -7.509 5.619 -6.027 1.00 0.00 C ATOM 153 CG2 ILE A 13 -7.122 3.863 -4.278 1.00 0.00 C ATOM 154 CD1 ILE A 13 -7.120 6.647 -4.988 1.00 0.00 C ATOM 0 H ILE A 13 -5.366 4.086 -8.236 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.877 4.740 -5.434 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.505 3.503 -6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.159 5.952 -7.004 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.596 5.561 -6.080 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.178 3.917 -4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.756 2.851 -4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.557 4.562 -3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.552 7.612 -5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.493 6.337 -4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.034 6.734 -4.951 1.00 0.00 H new ATOM 166 N ILE A 14 -4.274 2.350 -5.042 1.00 0.00 N ATOM 167 CA ILE A 14 -3.776 0.990 -4.877 1.00 0.00 C ATOM 168 C ILE A 14 -4.342 0.347 -3.615 1.00 0.00 C ATOM 169 O ILE A 14 -4.701 1.037 -2.662 1.00 0.00 O ATOM 170 CB ILE A 14 -2.238 0.959 -4.809 1.00 0.00 C ATOM 171 CG1 ILE A 14 -1.646 2.116 -5.617 1.00 0.00 C ATOM 172 CG2 ILE A 14 -1.712 -0.374 -5.321 1.00 0.00 C ATOM 173 CD1 ILE A 14 -1.816 1.958 -7.112 1.00 0.00 C ATOM 0 H ILE A 14 -4.016 2.988 -4.289 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.105 0.425 -5.749 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.933 1.073 -3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.117 3.047 -5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.584 2.203 -5.387 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.623 -0.381 -5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.111 -1.182 -4.708 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.025 -0.515 -6.356 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.373 2.814 -7.621 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.320 1.044 -7.440 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.877 1.902 -7.354 1.00 0.00 H new ATOM 185 N GLU A 15 -4.417 -0.981 -3.617 1.00 0.00 N ATOM 186 CA GLU A 15 -4.939 -1.717 -2.472 1.00 0.00 C ATOM 187 C GLU A 15 -4.280 -3.089 -2.362 1.00 0.00 C ATOM 188 O GLU A 15 -4.395 -3.920 -3.262 1.00 0.00 O ATOM 189 CB GLU A 15 -6.456 -1.876 -2.588 1.00 0.00 C ATOM 190 CG GLU A 15 -7.049 -2.829 -1.563 1.00 0.00 C ATOM 191 CD GLU A 15 -8.560 -2.911 -1.648 1.00 0.00 C ATOM 192 OE1 GLU A 15 -9.066 -3.622 -2.542 1.00 0.00 O ATOM 193 OE2 GLU A 15 -9.238 -2.264 -0.822 1.00 0.00 O ATOM 0 H GLU A 15 -4.123 -1.568 -4.398 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.709 -1.148 -1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.925 -0.898 -2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.700 -2.234 -3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.626 -3.823 -1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.762 -2.505 -0.563 1.00 0.00 H new ATOM 200 N GLY A 16 -3.587 -3.319 -1.250 1.00 0.00 N ATOM 201 CA GLY A 16 -2.919 -4.590 -1.042 1.00 0.00 C ATOM 202 C GLY A 16 -2.744 -4.919 0.428 1.00 0.00 C ATOM 203 O GLY A 16 -2.848 -4.041 1.283 1.00 0.00 O ATOM 0 H GLY A 16 -3.477 -2.648 -0.490 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.493 -5.382 -1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.942 -4.567 -1.525 1.00 0.00 H new ATOM 207 N GLU A 17 -2.480 -6.189 0.721 1.00 0.00 N ATOM 208 CA GLU A 17 -2.294 -6.631 2.098 1.00 0.00 C ATOM 209 C GLU A 17 -0.864 -6.372 2.564 1.00 0.00 C ATOM 210 O GLU A 17 0.062 -7.093 2.193 1.00 0.00 O ATOM 211 CB GLU A 17 -2.622 -8.120 2.227 1.00 0.00 C ATOM 212 CG GLU A 17 -2.495 -8.651 3.645 1.00 0.00 C ATOM 213 CD GLU A 17 -2.515 -10.166 3.705 1.00 0.00 C ATOM 214 OE1 GLU A 17 -1.980 -10.803 2.774 1.00 0.00 O ATOM 215 OE2 GLU A 17 -3.066 -10.714 4.683 1.00 0.00 O ATOM 0 H GLU A 17 -2.390 -6.928 0.024 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.973 -6.060 2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.639 -8.291 1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.958 -8.687 1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.566 -8.286 4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.311 -8.256 4.251 1.00 0.00 H new ATOM 222 N VAL A 18 -0.693 -5.337 3.379 1.00 0.00 N ATOM 223 CA VAL A 18 0.623 -4.981 3.897 1.00 0.00 C ATOM 224 C VAL A 18 1.451 -6.226 4.195 1.00 0.00 C ATOM 225 O VAL A 18 1.195 -6.938 5.166 1.00 0.00 O ATOM 226 CB VAL A 18 0.512 -4.134 5.178 1.00 0.00 C ATOM 227 CG1 VAL A 18 1.875 -3.591 5.580 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.486 -3.002 4.983 1.00 0.00 C ATOM 0 H VAL A 18 -1.449 -4.730 3.695 1.00 0.00 H new ATOM 0 HA VAL A 18 1.119 -4.394 3.124 1.00 0.00 H new ATOM 0 HB VAL A 18 0.150 -4.772 5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.776 -2.995 6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.558 -4.421 5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.269 -2.967 4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.552 -2.413 5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.156 -2.363 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.466 -3.417 4.747 1.00 0.00 H new ATOM 238 N VAL A 19 2.446 -6.484 3.352 1.00 0.00 N ATOM 239 CA VAL A 19 3.314 -7.642 3.525 1.00 0.00 C ATOM 240 C VAL A 19 4.527 -7.297 4.381 1.00 0.00 C ATOM 241 O VAL A 19 4.814 -7.973 5.368 1.00 0.00 O ATOM 242 CB VAL A 19 3.796 -8.190 2.168 1.00 0.00 C ATOM 243 CG1 VAL A 19 4.822 -9.294 2.372 1.00 0.00 C ATOM 244 CG2 VAL A 19 2.617 -8.692 1.347 1.00 0.00 C ATOM 0 H VAL A 19 2.671 -5.906 2.542 1.00 0.00 H new ATOM 0 HA VAL A 19 2.724 -8.407 4.029 1.00 0.00 H new ATOM 0 HB VAL A 19 4.274 -7.380 1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.151 -9.669 1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.679 -8.898 2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.373 -10.107 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.976 -9.075 0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.108 -9.489 1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.921 -7.872 1.170 1.00 0.00 H new ATOM 254 N GLU A 20 5.235 -6.240 3.996 1.00 0.00 N ATOM 255 CA GLU A 20 6.418 -5.806 4.729 1.00 0.00 C ATOM 256 C GLU A 20 6.568 -4.288 4.671 1.00 0.00 C ATOM 257 O GLU A 20 6.201 -3.656 3.680 1.00 0.00 O ATOM 258 CB GLU A 20 7.672 -6.475 4.161 1.00 0.00 C ATOM 259 CG GLU A 20 8.925 -6.216 4.981 1.00 0.00 C ATOM 260 CD GLU A 20 10.166 -6.822 4.357 1.00 0.00 C ATOM 261 OE1 GLU A 20 10.174 -7.023 3.124 1.00 0.00 O ATOM 262 OE2 GLU A 20 11.131 -7.095 5.101 1.00 0.00 O ATOM 0 H GLU A 20 5.010 -5.669 3.181 1.00 0.00 H new ATOM 0 HA GLU A 20 6.297 -6.103 5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.504 -7.550 4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.834 -6.119 3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.067 -5.141 5.092 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.790 -6.624 5.983 1.00 0.00 H new ATOM 269 N ILE A 21 7.107 -3.711 5.739 1.00 0.00 N ATOM 270 CA ILE A 21 7.306 -2.269 5.810 1.00 0.00 C ATOM 271 C ILE A 21 8.707 -1.931 6.307 1.00 0.00 C ATOM 272 O ILE A 21 8.962 -1.918 7.511 1.00 0.00 O ATOM 273 CB ILE A 21 6.270 -1.603 6.735 1.00 0.00 C ATOM 274 CG1 ILE A 21 4.852 -1.869 6.224 1.00 0.00 C ATOM 275 CG2 ILE A 21 6.531 -0.108 6.833 1.00 0.00 C ATOM 276 CD1 ILE A 21 3.774 -1.533 7.230 1.00 0.00 C ATOM 0 H ILE A 21 7.414 -4.220 6.568 1.00 0.00 H new ATOM 0 HA ILE A 21 7.179 -1.883 4.799 1.00 0.00 H new ATOM 0 HB ILE A 21 6.364 -2.035 7.731 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.686 -1.287 5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.765 -2.920 5.948 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.791 0.348 7.490 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.529 0.061 7.238 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.461 0.339 5.842 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.796 -1.746 6.800 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.914 -2.134 8.128 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.834 -0.476 7.488 1.00 0.00 H new ATOM 288 N GLN A 22 9.610 -1.655 5.372 1.00 0.00 N ATOM 289 CA GLN A 22 10.986 -1.315 5.716 1.00 0.00 C ATOM 290 C GLN A 22 11.194 0.196 5.695 1.00 0.00 C ATOM 291 O GLN A 22 10.469 0.923 5.015 1.00 0.00 O ATOM 292 CB GLN A 22 11.958 -1.990 4.747 1.00 0.00 C ATOM 293 CG GLN A 22 12.074 -3.492 4.950 1.00 0.00 C ATOM 294 CD GLN A 22 12.654 -4.200 3.741 1.00 0.00 C ATOM 295 OE1 GLN A 22 11.978 -4.998 3.091 1.00 0.00 O ATOM 296 NE2 GLN A 22 13.913 -3.912 3.434 1.00 0.00 N ATOM 0 H GLN A 22 9.414 -1.660 4.371 1.00 0.00 H new ATOM 0 HA GLN A 22 11.182 -1.676 6.725 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.634 -1.794 3.725 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.944 -1.539 4.861 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.702 -3.690 5.819 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.088 -3.903 5.169 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.436 -3.244 4.000 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.357 -4.358 2.632 1.00 0.00 H new ATOM 305 N ILE A 23 12.189 0.661 6.442 1.00 0.00 N ATOM 306 CA ILE A 23 12.493 2.085 6.508 1.00 0.00 C ATOM 307 C ILE A 23 13.959 2.350 6.181 1.00 0.00 C ATOM 308 O ILE A 23 14.856 1.897 6.892 1.00 0.00 O ATOM 309 CB ILE A 23 12.177 2.665 7.899 1.00 0.00 C ATOM 310 CG1 ILE A 23 10.671 2.615 8.166 1.00 0.00 C ATOM 311 CG2 ILE A 23 12.692 4.092 8.008 1.00 0.00 C ATOM 312 CD1 ILE A 23 9.862 3.482 7.226 1.00 0.00 C ATOM 0 H ILE A 23 12.798 0.073 7.010 1.00 0.00 H new ATOM 0 HA ILE A 23 11.863 2.576 5.767 1.00 0.00 H new ATOM 0 HB ILE A 23 12.681 2.059 8.652 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.329 1.584 8.081 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.481 2.930 9.192 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.461 4.488 8.997 1.00 0.00 H new ATOM 0 HG22 ILE A 23 13.771 4.102 7.856 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.213 4.711 7.249 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.804 3.398 7.473 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.177 4.521 7.327 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.022 3.153 6.199 1.00 0.00 H new ATOM 437 N LYS A 33 13.572 11.632 3.310 1.00 0.00 N ATOM 438 CA LYS A 33 13.146 10.371 3.906 1.00 0.00 C ATOM 439 C LYS A 33 12.565 9.438 2.849 1.00 0.00 C ATOM 440 O LYS A 33 11.757 9.852 2.018 1.00 0.00 O ATOM 441 CB LYS A 33 12.109 10.627 5.002 1.00 0.00 C ATOM 442 CG LYS A 33 11.684 9.370 5.742 1.00 0.00 C ATOM 443 CD LYS A 33 12.596 9.083 6.923 1.00 0.00 C ATOM 444 CE LYS A 33 12.611 7.602 7.269 1.00 0.00 C ATOM 445 NZ LYS A 33 13.314 7.339 8.555 1.00 0.00 N ATOM 0 HA LYS A 33 14.021 9.892 4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.518 11.340 5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.229 11.092 4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.658 9.482 6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 33 11.696 8.522 5.057 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.608 9.414 6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.264 9.656 7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.587 7.234 7.333 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.100 7.047 6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.874 6.466 8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.945 8.136 8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.615 7.231 9.317 1.00 0.00 H new ATOM 459 N VAL A 34 12.981 8.176 2.887 1.00 0.00 N ATOM 460 CA VAL A 34 12.499 7.183 1.934 1.00 0.00 C ATOM 461 C VAL A 34 12.237 5.846 2.618 1.00 0.00 C ATOM 462 O VAL A 34 12.905 5.492 3.588 1.00 0.00 O ATOM 463 CB VAL A 34 13.505 6.972 0.787 1.00 0.00 C ATOM 464 CG1 VAL A 34 13.780 8.284 0.069 1.00 0.00 C ATOM 465 CG2 VAL A 34 14.795 6.364 1.316 1.00 0.00 C ATOM 0 H VAL A 34 13.651 7.817 3.567 1.00 0.00 H new ATOM 0 HA VAL A 34 11.565 7.566 1.523 1.00 0.00 H new ATOM 0 HB VAL A 34 13.070 6.277 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 34 14.493 8.115 -0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.850 8.674 -0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.194 9.005 0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.495 6.222 0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 34 15.236 7.033 2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.580 5.401 1.780 1.00 0.00 H new ATOM 475 N GLY A 35 11.258 5.107 2.105 1.00 0.00 N ATOM 476 CA GLY A 35 10.924 3.817 2.679 1.00 0.00 C ATOM 477 C GLY A 35 10.537 2.797 1.626 1.00 0.00 C ATOM 478 O GLY A 35 10.295 3.147 0.471 1.00 0.00 O ATOM 0 H GLY A 35 10.690 5.379 1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.776 3.443 3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.101 3.938 3.383 1.00 0.00 H new ATOM 482 N LYS A 36 10.479 1.531 2.025 1.00 0.00 N ATOM 483 CA LYS A 36 10.119 0.455 1.108 1.00 0.00 C ATOM 484 C LYS A 36 8.926 -0.335 1.638 1.00 0.00 C ATOM 485 O LYS A 36 8.997 -0.943 2.707 1.00 0.00 O ATOM 486 CB LYS A 36 11.310 -0.481 0.895 1.00 0.00 C ATOM 487 CG LYS A 36 11.328 -1.141 -0.473 1.00 0.00 C ATOM 488 CD LYS A 36 12.634 -1.877 -0.720 1.00 0.00 C ATOM 489 CE LYS A 36 12.567 -2.723 -1.982 1.00 0.00 C ATOM 490 NZ LYS A 36 12.517 -1.882 -3.210 1.00 0.00 N ATOM 0 H LYS A 36 10.677 1.224 2.978 1.00 0.00 H new ATOM 0 HA LYS A 36 9.841 0.902 0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 36 12.233 0.083 1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.295 -1.255 1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.495 -1.840 -0.552 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.184 -0.385 -1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.448 -1.157 -0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.861 -2.514 0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.436 -3.379 -2.026 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.686 -3.363 -1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.031 -2.403 -3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.000 -1.003 -3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.485 -1.653 -3.513 1.00 0.00 H new ATOM 504 N LEU A 37 7.833 -0.323 0.884 1.00 0.00 N ATOM 505 CA LEU A 37 6.624 -1.040 1.277 1.00 0.00 C ATOM 506 C LEU A 37 6.304 -2.152 0.283 1.00 0.00 C ATOM 507 O LEU A 37 6.536 -2.013 -0.918 1.00 0.00 O ATOM 508 CB LEU A 37 5.443 -0.073 1.375 1.00 0.00 C ATOM 509 CG LEU A 37 4.052 -0.706 1.325 1.00 0.00 C ATOM 510 CD1 LEU A 37 3.734 -1.402 2.639 1.00 0.00 C ATOM 511 CD2 LEU A 37 2.999 0.346 1.009 1.00 0.00 C ATOM 0 H LEU A 37 7.758 0.175 -0.003 1.00 0.00 H new ATOM 0 HA LEU A 37 6.799 -1.490 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.533 0.486 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.521 0.649 0.562 1.00 0.00 H new ATOM 0 HG LEU A 37 4.042 -1.452 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.740 -1.846 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.471 -2.183 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.763 -0.676 3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.015 -0.122 0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.010 1.115 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.216 0.799 0.042 1.00 0.00 H new ATOM 523 N THR A 38 5.768 -3.257 0.793 1.00 0.00 N ATOM 524 CA THR A 38 5.414 -4.393 -0.049 1.00 0.00 C ATOM 525 C THR A 38 3.964 -4.809 0.169 1.00 0.00 C ATOM 526 O THR A 38 3.549 -5.083 1.296 1.00 0.00 O ATOM 527 CB THR A 38 6.330 -5.602 0.225 1.00 0.00 C ATOM 528 OG1 THR A 38 7.692 -5.257 -0.049 1.00 0.00 O ATOM 529 CG2 THR A 38 5.922 -6.794 -0.627 1.00 0.00 C ATOM 0 H THR A 38 5.570 -3.389 1.785 1.00 0.00 H new ATOM 0 HA THR A 38 5.545 -4.073 -1.083 1.00 0.00 H new ATOM 0 HB THR A 38 6.229 -5.875 1.275 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.267 -6.030 0.129 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.583 -7.635 -0.416 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.894 -7.073 -0.394 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.996 -6.530 -1.682 1.00 0.00 H new ATOM 537 N LEU A 39 3.198 -4.855 -0.915 1.00 0.00 N ATOM 538 CA LEU A 39 1.792 -5.239 -0.842 1.00 0.00 C ATOM 539 C LEU A 39 1.478 -6.346 -1.843 1.00 0.00 C ATOM 540 O LEU A 39 1.938 -6.317 -2.984 1.00 0.00 O ATOM 541 CB LEU A 39 0.898 -4.027 -1.108 1.00 0.00 C ATOM 542 CG LEU A 39 0.397 -3.278 0.127 1.00 0.00 C ATOM 543 CD1 LEU A 39 1.549 -2.575 0.829 1.00 0.00 C ATOM 544 CD2 LEU A 39 -0.685 -2.279 -0.256 1.00 0.00 C ATOM 0 H LEU A 39 3.526 -4.631 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 39 1.595 -5.615 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.448 -3.326 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.033 -4.358 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.034 -4.003 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.173 -2.047 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.290 -3.312 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.010 -1.862 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.029 -1.756 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.280 -1.558 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.522 -2.807 -0.713 1.00 0.00 H new ATOM 556 N LYS A 40 0.688 -7.322 -1.408 1.00 0.00 N ATOM 557 CA LYS A 40 0.308 -8.439 -2.265 1.00 0.00 C ATOM 558 C LYS A 40 -0.975 -8.126 -3.029 1.00 0.00 C ATOM 559 O LYS A 40 -2.075 -8.226 -2.483 1.00 0.00 O ATOM 560 CB LYS A 40 0.121 -9.708 -1.431 1.00 0.00 C ATOM 561 CG LYS A 40 -0.053 -10.965 -2.267 1.00 0.00 C ATOM 562 CD LYS A 40 -0.141 -12.206 -1.395 1.00 0.00 C ATOM 563 CE LYS A 40 1.237 -12.680 -0.959 1.00 0.00 C ATOM 564 NZ LYS A 40 1.240 -14.128 -0.608 1.00 0.00 N ATOM 0 H LYS A 40 0.298 -7.362 -0.466 1.00 0.00 H new ATOM 0 HA LYS A 40 1.109 -8.601 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.984 -9.833 -0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.751 -9.585 -0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.956 -10.879 -2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.785 -11.063 -2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.748 -11.992 -0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.644 -13.002 -1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.954 -12.499 -1.760 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.566 -12.097 -0.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.197 -14.412 -0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.575 -14.297 0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.950 -14.687 -1.436 1.00 0.00 H new ATOM 621 N MET A 44 0.245 -11.169 -6.793 1.00 0.00 N ATOM 622 CA MET A 44 1.647 -10.780 -6.892 1.00 0.00 C ATOM 623 C MET A 44 1.950 -9.600 -5.975 1.00 0.00 C ATOM 624 O MET A 44 1.123 -8.704 -5.809 1.00 0.00 O ATOM 625 CB MET A 44 1.997 -10.422 -8.337 1.00 0.00 C ATOM 626 CG MET A 44 1.846 -8.942 -8.650 1.00 0.00 C ATOM 627 SD MET A 44 2.141 -8.565 -10.388 1.00 0.00 S ATOM 628 CE MET A 44 1.474 -6.906 -10.493 1.00 0.00 C ATOM 0 HA MET A 44 2.257 -11.627 -6.577 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.024 -10.725 -8.539 1.00 0.00 H new ATOM 0 HB3 MET A 44 1.358 -10.994 -9.009 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.842 -8.618 -8.378 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.543 -8.372 -8.035 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.583 -6.534 -11.512 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.418 -6.921 -10.224 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.014 -6.253 -9.808 1.00 0.00 H new ATOM 638 N GLU A 45 3.140 -9.607 -5.382 1.00 0.00 N ATOM 639 CA GLU A 45 3.550 -8.537 -4.481 1.00 0.00 C ATOM 640 C GLU A 45 4.394 -7.500 -5.216 1.00 0.00 C ATOM 641 O GLU A 45 5.323 -7.843 -5.948 1.00 0.00 O ATOM 642 CB GLU A 45 4.339 -9.108 -3.300 1.00 0.00 C ATOM 643 CG GLU A 45 3.459 -9.613 -2.168 1.00 0.00 C ATOM 644 CD GLU A 45 4.200 -10.538 -1.223 1.00 0.00 C ATOM 645 OE1 GLU A 45 5.419 -10.342 -1.035 1.00 0.00 O ATOM 646 OE2 GLU A 45 3.561 -11.458 -0.671 1.00 0.00 O ATOM 0 H GLU A 45 3.836 -10.341 -5.510 1.00 0.00 H new ATOM 0 HA GLU A 45 2.651 -8.049 -4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.966 -9.926 -3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.007 -8.338 -2.914 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.070 -8.763 -1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.601 -10.139 -2.587 1.00 0.00 H new ATOM 653 N THR A 46 4.064 -6.227 -5.017 1.00 0.00 N ATOM 654 CA THR A 46 4.789 -5.140 -5.662 1.00 0.00 C ATOM 655 C THR A 46 5.289 -4.129 -4.636 1.00 0.00 C ATOM 656 O THR A 46 4.576 -3.783 -3.694 1.00 0.00 O ATOM 657 CB THR A 46 3.908 -4.413 -6.696 1.00 0.00 C ATOM 658 OG1 THR A 46 3.547 -5.312 -7.750 1.00 0.00 O ATOM 659 CG2 THR A 46 4.636 -3.209 -7.275 1.00 0.00 C ATOM 0 H THR A 46 3.299 -5.924 -4.414 1.00 0.00 H new ATOM 0 HA THR A 46 5.642 -5.587 -6.173 1.00 0.00 H new ATOM 0 HB THR A 46 3.006 -4.064 -6.192 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.986 -4.843 -8.402 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.995 -2.711 -8.003 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.883 -2.513 -6.473 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.552 -3.539 -7.765 1.00 0.00 H new ATOM 667 N ILE A 47 6.516 -3.658 -4.827 1.00 0.00 N ATOM 668 CA ILE A 47 7.110 -2.684 -3.919 1.00 0.00 C ATOM 669 C ILE A 47 6.751 -1.260 -4.329 1.00 0.00 C ATOM 670 O ILE A 47 6.838 -0.900 -5.503 1.00 0.00 O ATOM 671 CB ILE A 47 8.643 -2.822 -3.870 1.00 0.00 C ATOM 672 CG1 ILE A 47 9.037 -4.254 -3.503 1.00 0.00 C ATOM 673 CG2 ILE A 47 9.232 -1.833 -2.874 1.00 0.00 C ATOM 674 CD1 ILE A 47 8.955 -5.219 -4.665 1.00 0.00 C ATOM 0 H ILE A 47 7.119 -3.935 -5.602 1.00 0.00 H new ATOM 0 HA ILE A 47 6.704 -2.887 -2.928 1.00 0.00 H new ATOM 0 HB ILE A 47 9.045 -2.597 -4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.055 -4.254 -3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.388 -4.607 -2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.316 -1.942 -2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.976 -0.817 -3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.826 -2.030 -1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.248 -6.215 -4.332 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.933 -5.249 -5.042 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.625 -4.890 -5.459 1.00 0.00 H new ATOM 686 N TYR A 48 6.350 -0.453 -3.353 1.00 0.00 N ATOM 687 CA TYR A 48 5.977 0.933 -3.612 1.00 0.00 C ATOM 688 C TYR A 48 6.914 1.894 -2.886 1.00 0.00 C ATOM 689 O TYR A 48 7.057 1.835 -1.664 1.00 0.00 O ATOM 690 CB TYR A 48 4.533 1.185 -3.176 1.00 0.00 C ATOM 691 CG TYR A 48 3.523 0.326 -3.903 1.00 0.00 C ATOM 692 CD1 TYR A 48 3.065 0.678 -5.167 1.00 0.00 C ATOM 693 CD2 TYR A 48 3.026 -0.836 -3.327 1.00 0.00 C ATOM 694 CE1 TYR A 48 2.141 -0.103 -5.835 1.00 0.00 C ATOM 695 CE2 TYR A 48 2.104 -1.624 -3.988 1.00 0.00 C ATOM 696 CZ TYR A 48 1.664 -1.253 -5.242 1.00 0.00 C ATOM 697 OH TYR A 48 0.745 -2.035 -5.903 1.00 0.00 O ATOM 0 H TYR A 48 6.275 -0.734 -2.375 1.00 0.00 H new ATOM 0 HA TYR A 48 6.062 1.111 -4.684 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.449 1.003 -2.105 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.290 2.235 -3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.437 1.577 -5.635 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.367 -1.129 -2.345 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.794 0.186 -6.816 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.730 -2.525 -3.526 1.00 0.00 H new ATOM 0 HH TYR A 48 0.513 -2.808 -5.347 1.00 0.00 H new ATOM 707 N ASP A 49 7.550 2.778 -3.646 1.00 0.00 N ATOM 708 CA ASP A 49 8.472 3.753 -3.077 1.00 0.00 C ATOM 709 C ASP A 49 7.760 4.652 -2.071 1.00 0.00 C ATOM 710 O ASP A 49 6.817 5.364 -2.417 1.00 0.00 O ATOM 711 CB ASP A 49 9.097 4.603 -4.185 1.00 0.00 C ATOM 712 CG ASP A 49 8.076 5.465 -4.900 1.00 0.00 C ATOM 713 OD1 ASP A 49 7.037 4.922 -5.330 1.00 0.00 O ATOM 714 OD2 ASP A 49 8.315 6.684 -5.027 1.00 0.00 O ATOM 0 H ASP A 49 7.444 2.839 -4.659 1.00 0.00 H new ATOM 0 HA ASP A 49 9.261 3.209 -2.557 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.870 5.241 -3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.586 3.950 -4.908 1.00 0.00 H new ATOM 719 N LEU A 50 8.216 4.612 -0.824 1.00 0.00 N ATOM 720 CA LEU A 50 7.622 5.422 0.234 1.00 0.00 C ATOM 721 C LEU A 50 8.284 6.794 0.306 1.00 0.00 C ATOM 722 O LEU A 50 9.495 6.901 0.497 1.00 0.00 O ATOM 723 CB LEU A 50 7.750 4.710 1.582 1.00 0.00 C ATOM 724 CG LEU A 50 7.175 3.294 1.650 1.00 0.00 C ATOM 725 CD1 LEU A 50 7.378 2.702 3.036 1.00 0.00 C ATOM 726 CD2 LEU A 50 5.699 3.300 1.281 1.00 0.00 C ATOM 0 H LEU A 50 8.995 4.028 -0.521 1.00 0.00 H new ATOM 0 HA LEU A 50 6.566 5.560 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.806 4.665 1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.256 5.318 2.340 1.00 0.00 H new ATOM 0 HG LEU A 50 7.706 2.671 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.963 1.695 3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.444 2.662 3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.873 3.324 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.306 2.285 1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.153 3.937 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.579 3.682 0.267 1.00 0.00 H new ATOM 738 N GLY A 51 7.480 7.843 0.155 1.00 0.00 N ATOM 739 CA GLY A 51 8.006 9.194 0.208 1.00 0.00 C ATOM 740 C GLY A 51 7.971 9.775 1.608 1.00 0.00 C ATOM 741 O GLY A 51 7.222 9.305 2.465 1.00 0.00 O ATOM 0 H GLY A 51 6.474 7.781 -0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.033 9.195 -0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.429 9.832 -0.461 1.00 0.00 H new ATOM 745 N THR A 52 8.784 10.801 1.842 1.00 0.00 N ATOM 746 CA THR A 52 8.845 11.445 3.148 1.00 0.00 C ATOM 747 C THR A 52 7.448 11.684 3.709 1.00 0.00 C ATOM 748 O THR A 52 7.244 11.671 4.923 1.00 0.00 O ATOM 749 CB THR A 52 9.594 12.789 3.077 1.00 0.00 C ATOM 750 OG1 THR A 52 10.995 12.560 2.886 1.00 0.00 O ATOM 751 CG2 THR A 52 9.376 13.598 4.347 1.00 0.00 C ATOM 0 H THR A 52 9.409 11.203 1.144 1.00 0.00 H new ATOM 0 HA THR A 52 9.388 10.769 3.809 1.00 0.00 H new ATOM 0 HB THR A 52 9.200 13.355 2.233 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.135 11.648 2.555 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.915 14.543 4.273 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.312 13.796 4.474 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.745 13.036 5.205 1.00 0.00 H new ATOM 759 N LYS A 53 6.487 11.902 2.817 1.00 0.00 N ATOM 760 CA LYS A 53 5.107 12.142 3.223 1.00 0.00 C ATOM 761 C LYS A 53 4.394 10.829 3.532 1.00 0.00 C ATOM 762 O LYS A 53 3.793 10.674 4.594 1.00 0.00 O ATOM 763 CB LYS A 53 4.355 12.896 2.124 1.00 0.00 C ATOM 764 CG LYS A 53 4.624 14.391 2.119 1.00 0.00 C ATOM 765 CD LYS A 53 3.825 15.106 3.196 1.00 0.00 C ATOM 766 CE LYS A 53 4.247 16.561 3.329 1.00 0.00 C ATOM 767 NZ LYS A 53 3.667 17.408 2.251 1.00 0.00 N ATOM 0 H LYS A 53 6.639 11.917 1.808 1.00 0.00 H new ATOM 0 HA LYS A 53 5.121 12.749 4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.634 12.482 1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.285 12.728 2.247 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.688 14.571 2.275 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.371 14.804 1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.763 15.054 2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.962 14.598 4.150 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.932 16.943 4.300 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.334 16.628 3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.978 18.392 2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.988 17.059 1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.629 17.365 2.296 1.00 0.00 H new ATOM 781 N MET A 54 4.467 9.887 2.597 1.00 0.00 N ATOM 782 CA MET A 54 3.831 8.587 2.772 1.00 0.00 C ATOM 783 C MET A 54 4.137 8.013 4.152 1.00 0.00 C ATOM 784 O MET A 54 3.231 7.600 4.877 1.00 0.00 O ATOM 785 CB MET A 54 4.301 7.615 1.687 1.00 0.00 C ATOM 786 CG MET A 54 3.644 7.849 0.337 1.00 0.00 C ATOM 787 SD MET A 54 3.864 6.460 -0.792 1.00 0.00 S ATOM 788 CE MET A 54 2.714 6.897 -2.094 1.00 0.00 C ATOM 0 H MET A 54 4.960 10.000 1.711 1.00 0.00 H new ATOM 0 HA MET A 54 2.753 8.723 2.686 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.382 7.702 1.576 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.095 6.595 2.010 1.00 0.00 H new ATOM 0 HG2 MET A 54 2.579 8.029 0.482 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.061 8.749 -0.115 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.735 6.132 -2.870 1.00 0.00 H new ATOM 0 HE2 MET A 54 1.708 6.968 -1.682 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.999 7.857 -2.524 1.00 0.00 H new ATOM 798 N ILE A 55 5.417 7.989 4.508 1.00 0.00 N ATOM 799 CA ILE A 55 5.841 7.467 5.801 1.00 0.00 C ATOM 800 C ILE A 55 5.070 8.126 6.939 1.00 0.00 C ATOM 801 O ILE A 55 4.473 7.446 7.773 1.00 0.00 O ATOM 802 CB ILE A 55 7.349 7.679 6.027 1.00 0.00 C ATOM 803 CG1 ILE A 55 8.156 6.926 4.967 1.00 0.00 C ATOM 804 CG2 ILE A 55 7.745 7.224 7.423 1.00 0.00 C ATOM 805 CD1 ILE A 55 9.624 7.293 4.952 1.00 0.00 C ATOM 0 H ILE A 55 6.179 8.325 3.919 1.00 0.00 H new ATOM 0 HA ILE A 55 5.630 6.398 5.794 1.00 0.00 H new ATOM 0 HB ILE A 55 7.569 8.743 5.937 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.059 5.854 5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.729 7.129 3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.814 7.380 7.567 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.191 7.800 8.164 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.514 6.165 7.540 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.134 6.721 4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.731 8.358 4.747 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.066 7.064 5.922 1.00 0.00 H new ATOM 817 N GLU A 56 5.087 9.455 6.966 1.00 0.00 N ATOM 818 CA GLU A 56 4.389 10.207 8.003 1.00 0.00 C ATOM 819 C GLU A 56 3.018 9.599 8.285 1.00 0.00 C ATOM 820 O GLU A 56 2.499 9.700 9.397 1.00 0.00 O ATOM 821 CB GLU A 56 4.233 11.671 7.586 1.00 0.00 C ATOM 822 CG GLU A 56 5.475 12.510 7.835 1.00 0.00 C ATOM 823 CD GLU A 56 5.565 13.009 9.264 1.00 0.00 C ATOM 824 OE1 GLU A 56 5.681 12.168 10.179 1.00 0.00 O ATOM 825 OE2 GLU A 56 5.518 14.240 9.466 1.00 0.00 O ATOM 0 H GLU A 56 5.576 10.033 6.282 1.00 0.00 H new ATOM 0 HA GLU A 56 4.985 10.158 8.915 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.983 11.713 6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.395 12.108 8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.361 11.918 7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.475 13.362 7.156 1.00 0.00 H new ATOM 832 N SER A 57 2.437 8.967 7.270 1.00 0.00 N ATOM 833 CA SER A 57 1.124 8.346 7.407 1.00 0.00 C ATOM 834 C SER A 57 1.238 6.977 8.071 1.00 0.00 C ATOM 835 O SER A 57 0.554 6.692 9.055 1.00 0.00 O ATOM 836 CB SER A 57 0.457 8.207 6.037 1.00 0.00 C ATOM 837 OG SER A 57 -0.944 8.043 6.167 1.00 0.00 O ATOM 0 H SER A 57 2.854 8.871 6.344 1.00 0.00 H new ATOM 0 HA SER A 57 0.510 8.987 8.039 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.669 9.090 5.435 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.879 7.352 5.508 1.00 0.00 H new ATOM 0 HG SER A 57 -1.274 7.467 5.446 1.00 0.00 H new ATOM 843 N LEU A 58 2.106 6.132 7.526 1.00 0.00 N ATOM 844 CA LEU A 58 2.311 4.792 8.064 1.00 0.00 C ATOM 845 C LEU A 58 2.805 4.854 9.506 1.00 0.00 C ATOM 846 O LEU A 58 2.842 3.841 10.206 1.00 0.00 O ATOM 847 CB LEU A 58 3.313 4.022 7.202 1.00 0.00 C ATOM 848 CG LEU A 58 3.010 3.971 5.704 1.00 0.00 C ATOM 849 CD1 LEU A 58 3.729 2.800 5.054 1.00 0.00 C ATOM 850 CD2 LEU A 58 1.510 3.878 5.467 1.00 0.00 C ATOM 0 H LEU A 58 2.679 6.351 6.711 1.00 0.00 H new ATOM 0 HA LEU A 58 1.354 4.271 8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.298 4.469 7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.373 3.000 7.575 1.00 0.00 H new ATOM 0 HG LEU A 58 3.373 4.892 5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.502 2.780 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.804 2.911 5.194 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.397 1.869 5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.312 3.843 4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.123 2.974 5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.019 4.750 5.898 1.00 0.00 H new ATOM 862 N THR A 59 3.182 6.050 9.946 1.00 0.00 N ATOM 863 CA THR A 59 3.673 6.245 11.305 1.00 0.00 C ATOM 864 C THR A 59 2.537 6.611 12.252 1.00 0.00 C ATOM 865 O THR A 59 2.408 6.039 13.335 1.00 0.00 O ATOM 866 CB THR A 59 4.749 7.346 11.361 1.00 0.00 C ATOM 867 OG1 THR A 59 4.189 8.599 10.954 1.00 0.00 O ATOM 868 CG2 THR A 59 5.928 6.997 10.465 1.00 0.00 C ATOM 0 H THR A 59 3.157 6.899 9.381 1.00 0.00 H new ATOM 0 HA THR A 59 4.115 5.300 11.621 1.00 0.00 H new ATOM 0 HB THR A 59 5.105 7.424 12.388 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.460 8.441 10.318 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.675 7.789 10.521 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.370 6.057 10.795 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.585 6.894 9.436 1.00 0.00 H new ATOM 876 N LYS A 60 1.714 7.569 11.839 1.00 0.00 N ATOM 877 CA LYS A 60 0.586 8.012 12.650 1.00 0.00 C ATOM 878 C LYS A 60 -0.312 6.836 13.022 1.00 0.00 C ATOM 879 O LYS A 60 -0.803 6.749 14.148 1.00 0.00 O ATOM 880 CB LYS A 60 -0.227 9.068 11.898 1.00 0.00 C ATOM 881 CG LYS A 60 -1.057 9.958 12.806 1.00 0.00 C ATOM 882 CD LYS A 60 -1.617 11.154 12.055 1.00 0.00 C ATOM 883 CE LYS A 60 -0.621 12.303 12.016 1.00 0.00 C ATOM 884 NZ LYS A 60 -1.302 13.626 11.956 1.00 0.00 N ATOM 0 H LYS A 60 1.807 8.054 10.946 1.00 0.00 H new ATOM 0 HA LYS A 60 0.981 8.450 13.566 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.452 9.690 11.316 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.888 8.569 11.190 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.876 9.380 13.234 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.443 10.304 13.637 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.874 10.859 11.038 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.539 11.486 12.533 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.015 12.262 12.900 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.030 12.190 11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.589 14.383 11.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.890 13.675 11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.904 13.745 12.796 1.00 0.00 H new ATOM 898 N ASP A 61 -0.520 5.932 12.071 1.00 0.00 N ATOM 899 CA ASP A 61 -1.356 4.759 12.300 1.00 0.00 C ATOM 900 C ASP A 61 -0.499 3.521 12.547 1.00 0.00 C ATOM 901 O ASP A 61 -1.007 2.401 12.595 1.00 0.00 O ATOM 902 CB ASP A 61 -2.280 4.524 11.105 1.00 0.00 C ATOM 903 CG ASP A 61 -3.554 5.342 11.188 1.00 0.00 C ATOM 904 OD1 ASP A 61 -3.476 6.580 11.036 1.00 0.00 O ATOM 905 OD2 ASP A 61 -4.629 4.745 11.405 1.00 0.00 O ATOM 0 H ASP A 61 -0.121 5.989 11.134 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.962 4.943 13.187 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.751 4.774 10.186 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.534 3.466 11.049 1.00 0.00 H new ATOM 910 N LYS A 62 0.803 3.731 12.703 1.00 0.00 N ATOM 911 CA LYS A 62 1.732 2.633 12.946 1.00 0.00 C ATOM 912 C LYS A 62 1.344 1.403 12.132 1.00 0.00 C ATOM 913 O LYS A 62 1.428 0.274 12.616 1.00 0.00 O ATOM 914 CB LYS A 62 1.762 2.283 14.435 1.00 0.00 C ATOM 915 CG LYS A 62 2.467 3.322 15.290 1.00 0.00 C ATOM 916 CD LYS A 62 3.972 3.115 15.291 1.00 0.00 C ATOM 917 CE LYS A 62 4.644 3.901 14.175 1.00 0.00 C ATOM 918 NZ LYS A 62 6.077 4.172 14.472 1.00 0.00 N ATOM 0 H LYS A 62 1.240 4.652 12.666 1.00 0.00 H new ATOM 0 HA LYS A 62 2.726 2.955 12.635 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.739 2.164 14.792 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.259 1.321 14.564 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.236 4.320 14.916 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.091 3.270 16.312 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.382 3.424 16.253 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.194 2.054 15.175 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.566 3.344 13.241 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.119 4.845 14.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.499 4.709 13.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.151 4.725 15.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.584 3.271 14.587 1.00 0.00 H new ATOM 932 N VAL A 63 0.922 1.628 10.891 1.00 0.00 N ATOM 933 CA VAL A 63 0.525 0.538 10.009 1.00 0.00 C ATOM 934 C VAL A 63 1.434 -0.673 10.188 1.00 0.00 C ATOM 935 O VAL A 63 2.657 -0.559 10.111 1.00 0.00 O ATOM 936 CB VAL A 63 0.552 0.973 8.532 1.00 0.00 C ATOM 937 CG1 VAL A 63 0.321 -0.221 7.619 1.00 0.00 C ATOM 938 CG2 VAL A 63 -0.484 2.058 8.277 1.00 0.00 C ATOM 0 H VAL A 63 0.847 2.556 10.474 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.495 0.266 10.281 1.00 0.00 H new ATOM 0 HB VAL A 63 1.537 1.384 8.311 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.344 0.106 6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.104 -0.962 7.783 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.650 -0.665 7.839 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.451 2.353 7.228 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.477 1.676 8.515 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.267 2.923 8.904 1.00 0.00 H new ATOM 948 N GLN A 64 0.827 -1.831 10.426 1.00 0.00 N ATOM 949 CA GLN A 64 1.583 -3.064 10.616 1.00 0.00 C ATOM 950 C GLN A 64 1.187 -4.110 9.580 1.00 0.00 C ATOM 951 O GLN A 64 0.131 -4.011 8.956 1.00 0.00 O ATOM 952 CB GLN A 64 1.356 -3.613 12.026 1.00 0.00 C ATOM 953 CG GLN A 64 1.881 -2.704 13.125 1.00 0.00 C ATOM 954 CD GLN A 64 2.230 -3.461 14.391 1.00 0.00 C ATOM 955 OE1 GLN A 64 3.400 -3.725 14.668 1.00 0.00 O ATOM 956 NE2 GLN A 64 1.213 -3.814 15.169 1.00 0.00 N ATOM 0 H GLN A 64 -0.185 -1.942 10.492 1.00 0.00 H new ATOM 0 HA GLN A 64 2.641 -2.836 10.488 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.288 -3.773 12.177 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.839 -4.587 12.110 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.765 -2.178 12.765 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.131 -1.947 13.354 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.259 -3.574 14.901 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.386 -4.325 16.035 1.00 0.00 H new ATOM 965 N ALA A 65 2.041 -5.112 9.401 1.00 0.00 N ATOM 966 CA ALA A 65 1.780 -6.178 8.442 1.00 0.00 C ATOM 967 C ALA A 65 0.459 -6.877 8.745 1.00 0.00 C ATOM 968 O ALA A 65 -0.016 -6.863 9.879 1.00 0.00 O ATOM 969 CB ALA A 65 2.923 -7.181 8.443 1.00 0.00 C ATOM 0 H ALA A 65 2.921 -5.208 9.908 1.00 0.00 H new ATOM 0 HA ALA A 65 1.705 -5.731 7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.714 -7.971 7.722 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.850 -6.677 8.170 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.025 -7.615 9.438 1.00 0.00 H new ATOM 975 N GLY A 66 -0.130 -7.489 7.721 1.00 0.00 N ATOM 976 CA GLY A 66 -1.391 -8.185 7.899 1.00 0.00 C ATOM 977 C GLY A 66 -2.586 -7.308 7.583 1.00 0.00 C ATOM 978 O GLY A 66 -3.638 -7.804 7.179 1.00 0.00 O ATOM 0 H GLY A 66 0.244 -7.515 6.772 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.410 -9.066 7.257 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.465 -8.539 8.927 1.00 0.00 H new ATOM 982 N ASP A 67 -2.426 -6.003 7.768 1.00 0.00 N ATOM 983 CA ASP A 67 -3.501 -5.055 7.501 1.00 0.00 C ATOM 984 C ASP A 67 -3.538 -4.678 6.023 1.00 0.00 C ATOM 985 O ASP A 67 -2.593 -4.942 5.280 1.00 0.00 O ATOM 986 CB ASP A 67 -3.327 -3.798 8.355 1.00 0.00 C ATOM 987 CG ASP A 67 -4.029 -3.907 9.695 1.00 0.00 C ATOM 988 OD1 ASP A 67 -3.413 -4.432 10.646 1.00 0.00 O ATOM 989 OD2 ASP A 67 -5.194 -3.468 9.791 1.00 0.00 O ATOM 0 H ASP A 67 -1.562 -5.577 8.102 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.445 -5.533 7.761 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.265 -3.617 8.518 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.717 -2.937 7.813 1.00 0.00 H new ATOM 994 N VAL A 68 -4.638 -4.061 5.602 1.00 0.00 N ATOM 995 CA VAL A 68 -4.799 -3.648 4.213 1.00 0.00 C ATOM 996 C VAL A 68 -4.865 -2.130 4.095 1.00 0.00 C ATOM 997 O VAL A 68 -5.823 -1.503 4.549 1.00 0.00 O ATOM 998 CB VAL A 68 -6.070 -4.256 3.591 1.00 0.00 C ATOM 999 CG1 VAL A 68 -6.300 -3.698 2.194 1.00 0.00 C ATOM 1000 CG2 VAL A 68 -5.973 -5.774 3.558 1.00 0.00 C ATOM 0 H VAL A 68 -5.431 -3.836 6.203 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.927 -4.014 3.671 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.924 -3.983 4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.202 -4.139 1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.416 -2.616 2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.446 -3.939 1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.879 -6.187 3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.110 -6.071 2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.860 -6.154 4.573 1.00 0.00 H new ATOM 1010 N ILE A 69 -3.842 -1.545 3.482 1.00 0.00 N ATOM 1011 CA ILE A 69 -3.784 -0.099 3.303 1.00 0.00 C ATOM 1012 C ILE A 69 -3.839 0.274 1.825 1.00 0.00 C ATOM 1013 O ILE A 69 -3.371 -0.474 0.966 1.00 0.00 O ATOM 1014 CB ILE A 69 -2.506 0.495 3.924 1.00 0.00 C ATOM 1015 CG1 ILE A 69 -1.267 -0.043 3.206 1.00 0.00 C ATOM 1016 CG2 ILE A 69 -2.443 0.178 5.411 1.00 0.00 C ATOM 1017 CD1 ILE A 69 -0.857 0.782 2.006 1.00 0.00 C ATOM 0 H ILE A 69 -3.042 -2.050 3.101 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.653 0.317 3.813 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.531 1.578 3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.437 -0.081 3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.459 -1.067 2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.534 0.604 5.836 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.312 0.605 5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.437 -0.903 5.553 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.028 0.342 1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.671 0.800 1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.632 1.800 2.324 1.00 0.00 H new ATOM 1029 N THR A 70 -4.413 1.438 1.535 1.00 0.00 N ATOM 1030 CA THR A 70 -4.529 1.912 0.162 1.00 0.00 C ATOM 1031 C THR A 70 -3.490 2.987 -0.138 1.00 0.00 C ATOM 1032 O THR A 70 -2.860 3.525 0.773 1.00 0.00 O ATOM 1033 CB THR A 70 -5.933 2.478 -0.120 1.00 0.00 C ATOM 1034 OG1 THR A 70 -6.252 3.496 0.834 1.00 0.00 O ATOM 1035 CG2 THR A 70 -6.982 1.377 -0.064 1.00 0.00 C ATOM 0 H THR A 70 -4.805 2.070 2.234 1.00 0.00 H new ATOM 0 HA THR A 70 -4.355 1.052 -0.485 1.00 0.00 H new ATOM 0 HB THR A 70 -5.932 2.907 -1.122 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.146 3.852 0.646 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.966 1.801 -0.266 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.753 0.618 -0.812 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.980 0.922 0.927 1.00 0.00 H new ATOM 1043 N ILE A 71 -3.318 3.295 -1.419 1.00 0.00 N ATOM 1044 CA ILE A 71 -2.357 4.307 -1.838 1.00 0.00 C ATOM 1045 C ILE A 71 -2.981 5.279 -2.833 1.00 0.00 C ATOM 1046 O ILE A 71 -3.240 4.925 -3.983 1.00 0.00 O ATOM 1047 CB ILE A 71 -1.108 3.669 -2.474 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -0.208 3.067 -1.392 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -0.345 4.700 -3.292 1.00 0.00 C ATOM 1050 CD1 ILE A 71 0.897 2.194 -1.943 1.00 0.00 C ATOM 0 H ILE A 71 -3.832 2.858 -2.184 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.060 4.850 -0.941 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.427 2.868 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.234 3.874 -0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.819 2.478 -0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.535 4.234 -3.735 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.988 5.086 -4.083 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.034 5.520 -2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.495 1.801 -1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.462 1.366 -2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.532 2.784 -2.604 1.00 0.00 H new ATOM 1062 N ASP A 72 -3.218 6.507 -2.384 1.00 0.00 N ATOM 1063 CA ASP A 72 -3.809 7.532 -3.236 1.00 0.00 C ATOM 1064 C ASP A 72 -2.726 8.344 -3.940 1.00 0.00 C ATOM 1065 O ASP A 72 -2.068 9.185 -3.326 1.00 0.00 O ATOM 1066 CB ASP A 72 -4.703 8.458 -2.411 1.00 0.00 C ATOM 1067 CG ASP A 72 -5.847 9.034 -3.223 1.00 0.00 C ATOM 1068 OD1 ASP A 72 -5.652 9.276 -4.433 1.00 0.00 O ATOM 1069 OD2 ASP A 72 -6.936 9.242 -2.649 1.00 0.00 O ATOM 0 H ASP A 72 -3.010 6.817 -1.435 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.415 7.035 -3.993 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.106 7.907 -1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.102 9.273 -2.007 1.00 0.00 H new ATOM 1074 N LYS A 73 -2.545 8.087 -5.231 1.00 0.00 N ATOM 1075 CA LYS A 73 -1.543 8.794 -6.019 1.00 0.00 C ATOM 1076 C LYS A 73 -1.923 10.260 -6.195 1.00 0.00 C ATOM 1077 O LYS A 73 -1.066 11.142 -6.157 1.00 0.00 O ATOM 1078 CB LYS A 73 -1.381 8.130 -7.389 1.00 0.00 C ATOM 1079 CG LYS A 73 -0.687 6.780 -7.333 1.00 0.00 C ATOM 1080 CD LYS A 73 -0.468 6.207 -8.723 1.00 0.00 C ATOM 1081 CE LYS A 73 0.691 5.223 -8.744 1.00 0.00 C ATOM 1082 NZ LYS A 73 0.947 4.697 -10.114 1.00 0.00 N ATOM 0 H LYS A 73 -3.080 7.394 -5.754 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.595 8.745 -5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.365 8.005 -7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.813 8.794 -8.040 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.272 6.884 -6.826 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.286 6.086 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.377 5.708 -9.059 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.271 7.017 -9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.590 5.712 -8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.475 4.393 -8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.744 4.030 -10.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.098 4.208 -10.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.178 5.486 -10.751 1.00 0.00 H new ATOM 1096 N ALA A 74 -3.214 10.513 -6.386 1.00 0.00 N ATOM 1097 CA ALA A 74 -3.708 11.873 -6.564 1.00 0.00 C ATOM 1098 C ALA A 74 -3.000 12.842 -5.623 1.00 0.00 C ATOM 1099 O ALA A 74 -2.395 13.821 -6.061 1.00 0.00 O ATOM 1100 CB ALA A 74 -5.212 11.922 -6.341 1.00 0.00 C ATOM 0 H ALA A 74 -3.936 9.794 -6.421 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.494 12.180 -7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.567 12.944 -6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.708 11.267 -7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.441 11.590 -5.328 1.00 0.00 H new ATOM 1106 N THR A 75 -3.079 12.563 -4.325 1.00 0.00 N ATOM 1107 CA THR A 75 -2.448 13.410 -3.321 1.00 0.00 C ATOM 1108 C THR A 75 -1.227 12.728 -2.714 1.00 0.00 C ATOM 1109 O THR A 75 -0.414 13.366 -2.048 1.00 0.00 O ATOM 1110 CB THR A 75 -3.432 13.775 -2.194 1.00 0.00 C ATOM 1111 OG1 THR A 75 -2.825 14.713 -1.298 1.00 0.00 O ATOM 1112 CG2 THR A 75 -3.857 12.533 -1.424 1.00 0.00 C ATOM 0 H THR A 75 -3.574 11.756 -3.945 1.00 0.00 H new ATOM 0 HA THR A 75 -2.136 14.322 -3.829 1.00 0.00 H new ATOM 0 HB THR A 75 -4.317 14.224 -2.645 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.856 14.569 -1.281 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.552 12.815 -0.633 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.345 11.833 -2.103 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.979 12.060 -0.984 1.00 0.00 H new ATOM 1120 N GLY A 76 -1.106 11.424 -2.949 1.00 0.00 N ATOM 1121 CA GLY A 76 0.019 10.677 -2.418 1.00 0.00 C ATOM 1122 C GLY A 76 -0.163 10.316 -0.957 1.00 0.00 C ATOM 1123 O GLY A 76 0.810 10.216 -0.208 1.00 0.00 O ATOM 0 H GLY A 76 -1.767 10.873 -3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.153 9.765 -3.000 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.929 11.266 -2.533 1.00 0.00 H new ATOM 1127 N LYS A 77 -1.412 10.121 -0.548 1.00 0.00 N ATOM 1128 CA LYS A 77 -1.719 9.770 0.834 1.00 0.00 C ATOM 1129 C LYS A 77 -2.015 8.280 0.963 1.00 0.00 C ATOM 1130 O LYS A 77 -2.417 7.631 -0.003 1.00 0.00 O ATOM 1131 CB LYS A 77 -2.914 10.584 1.335 1.00 0.00 C ATOM 1132 CG LYS A 77 -2.590 12.046 1.592 1.00 0.00 C ATOM 1133 CD LYS A 77 -2.029 12.255 2.988 1.00 0.00 C ATOM 1134 CE LYS A 77 -2.265 13.677 3.476 1.00 0.00 C ATOM 1135 NZ LYS A 77 -3.561 13.807 4.198 1.00 0.00 N ATOM 0 H LYS A 77 -2.229 10.200 -1.154 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.847 10.004 1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.718 10.522 0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.288 10.136 2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.869 12.395 0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.491 12.647 1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.494 11.551 3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.960 12.042 2.988 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.450 13.975 4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.252 14.360 2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.685 14.790 4.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.341 13.547 3.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.563 13.175 5.024 1.00 0.00 H new ATOM 1149 N ILE A 78 -1.816 7.744 2.163 1.00 0.00 N ATOM 1150 CA ILE A 78 -2.065 6.330 2.418 1.00 0.00 C ATOM 1151 C ILE A 78 -3.090 6.145 3.532 1.00 0.00 C ATOM 1152 O ILE A 78 -2.905 6.635 4.646 1.00 0.00 O ATOM 1153 CB ILE A 78 -0.769 5.590 2.799 1.00 0.00 C ATOM 1154 CG1 ILE A 78 0.132 5.432 1.573 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -1.093 4.232 3.404 1.00 0.00 C ATOM 1156 CD1 ILE A 78 1.590 5.223 1.918 1.00 0.00 C ATOM 0 H ILE A 78 -1.483 8.267 2.973 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.457 5.906 1.493 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.236 6.180 3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.218 4.586 0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.039 6.319 0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.167 3.721 3.668 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.700 4.368 4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.644 3.633 2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.170 5.119 1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.957 6.080 2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.696 4.320 2.519 1.00 0.00 H new ATOM 1168 N SER A 79 -4.169 5.433 3.224 1.00 0.00 N ATOM 1169 CA SER A 79 -5.224 5.184 4.199 1.00 0.00 C ATOM 1170 C SER A 79 -5.251 3.714 4.607 1.00 0.00 C ATOM 1171 O SER A 79 -4.846 2.837 3.843 1.00 0.00 O ATOM 1172 CB SER A 79 -6.583 5.591 3.626 1.00 0.00 C ATOM 1173 OG SER A 79 -6.625 6.981 3.352 1.00 0.00 O ATOM 0 H SER A 79 -4.336 5.018 2.307 1.00 0.00 H new ATOM 0 HA SER A 79 -5.016 5.785 5.084 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.778 5.031 2.712 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.371 5.332 4.333 1.00 0.00 H new ATOM 0 HG SER A 79 -7.503 7.216 2.985 1.00 0.00 H new ATOM 1179 N LYS A 80 -5.733 3.451 5.817 1.00 0.00 N ATOM 1180 CA LYS A 80 -5.815 2.088 6.329 1.00 0.00 C ATOM 1181 C LYS A 80 -7.262 1.605 6.359 1.00 0.00 C ATOM 1182 O LYS A 80 -8.169 2.352 6.730 1.00 0.00 O ATOM 1183 CB LYS A 80 -5.211 2.011 7.732 1.00 0.00 C ATOM 1184 CG LYS A 80 -4.937 0.592 8.200 1.00 0.00 C ATOM 1185 CD LYS A 80 -3.756 0.537 9.154 1.00 0.00 C ATOM 1186 CE LYS A 80 -3.900 -0.601 10.154 1.00 0.00 C ATOM 1187 NZ LYS A 80 -4.914 -0.295 11.200 1.00 0.00 N ATOM 0 H LYS A 80 -6.073 4.164 6.462 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.248 1.440 5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.279 2.576 7.749 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.889 2.493 8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.823 0.193 8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.739 -0.045 7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.834 0.410 8.587 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.674 1.484 9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.184 -1.513 9.628 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.937 -0.793 10.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.830 -0.982 11.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.755 0.665 11.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.867 -0.354 10.788 1.00 0.00 H new ATOM 1201 N LEU A 81 -7.471 0.352 5.969 1.00 0.00 N ATOM 1202 CA LEU A 81 -8.808 -0.231 5.954 1.00 0.00 C ATOM 1203 C LEU A 81 -8.905 -1.395 6.935 1.00 0.00 C ATOM 1204 O LEU A 81 -9.810 -1.445 7.767 1.00 0.00 O ATOM 1205 CB LEU A 81 -9.161 -0.707 4.544 1.00 0.00 C ATOM 1206 CG LEU A 81 -8.676 0.178 3.395 1.00 0.00 C ATOM 1207 CD1 LEU A 81 -9.145 -0.376 2.059 1.00 0.00 C ATOM 1208 CD2 LEU A 81 -9.161 1.608 3.581 1.00 0.00 C ATOM 0 H LEU A 81 -6.732 -0.279 5.659 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.517 0.538 6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.748 -1.706 4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.245 -0.798 4.474 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.586 0.182 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.790 0.267 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.747 -1.382 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.234 -0.411 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.806 2.223 2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.251 1.623 3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.774 2.004 4.520 1.00 0.00 H new