USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 506 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 63 THR OG1 : rot -172:sc= 0.35 USER MOD Set 1.2: A 65 SER OG : rot -32:sc= 0.213 USER MOD Set 1.3: A 66 GLN : amide:sc= 0.619 K(o=1.2,f=0.66) USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0.127 USER MOD Set 2.2: A 40 GLN : amide:sc= 0.467 K(o=0.59,f=-2.9!) USER MOD Single : A 23 TYR OH : rot 110:sc= -0.0148 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 170:sc= 0.109 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.565 X(o=-0.57,f=-0.57) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= 1.29 (180deg=1.24) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 50 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.014) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0415) USER MOD Single : A 57 SER OG : rot -11:sc= 0.0624 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 152 N TYR A 23 5.406 -2.939 6.120 1.00 0.00 N ATOM 153 CA TYR A 23 4.039 -3.352 5.859 1.00 0.00 C ATOM 154 C TYR A 23 3.315 -3.949 7.039 1.00 0.00 C ATOM 155 O TYR A 23 2.872 -5.096 7.004 1.00 0.00 O ATOM 156 CB TYR A 23 4.138 -4.230 4.612 1.00 0.00 C ATOM 157 CG TYR A 23 2.814 -4.614 4.008 1.00 0.00 C ATOM 158 CD1 TYR A 23 2.329 -3.720 3.026 1.00 0.00 C ATOM 159 CD2 TYR A 23 2.184 -5.839 4.263 1.00 0.00 C ATOM 160 CE1 TYR A 23 1.232 -4.142 2.272 1.00 0.00 C ATOM 161 CE2 TYR A 23 1.001 -6.153 3.588 1.00 0.00 C ATOM 162 CZ TYR A 23 0.527 -5.321 2.571 1.00 0.00 C ATOM 163 OH TYR A 23 -0.654 -5.583 1.929 1.00 0.00 O ATOM 0 HA TYR A 23 3.385 -2.499 5.677 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.727 -3.705 3.860 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.684 -5.139 4.866 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.786 -2.755 2.866 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.608 -6.533 4.973 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.915 -3.543 1.431 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.451 -7.043 3.854 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.531 -6.333 1.310 1.00 0.00 H new ATOM 173 N TYR A 24 3.366 -3.119 8.089 1.00 0.00 N ATOM 174 CA TYR A 24 2.814 -3.424 9.391 1.00 0.00 C ATOM 175 C TYR A 24 1.341 -3.062 9.464 1.00 0.00 C ATOM 176 O TYR A 24 0.644 -2.973 8.460 1.00 0.00 O ATOM 177 CB TYR A 24 3.679 -2.735 10.451 1.00 0.00 C ATOM 178 CG TYR A 24 5.175 -2.837 10.361 1.00 0.00 C ATOM 179 CD1 TYR A 24 5.811 -3.966 9.813 1.00 0.00 C ATOM 180 CD2 TYR A 24 5.987 -1.782 10.784 1.00 0.00 C ATOM 181 CE1 TYR A 24 7.179 -4.015 9.517 1.00 0.00 C ATOM 182 CE2 TYR A 24 7.358 -1.846 10.574 1.00 0.00 C ATOM 183 CZ TYR A 24 7.977 -2.903 9.868 1.00 0.00 C ATOM 184 OH TYR A 24 9.300 -2.813 9.531 1.00 0.00 O ATOM 0 H TYR A 24 3.805 -2.199 8.043 1.00 0.00 H new ATOM 0 HA TYR A 24 2.842 -4.497 9.582 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.422 -1.676 10.445 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.382 -3.129 11.423 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.212 -4.842 9.610 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.551 -0.922 11.271 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.612 -4.879 9.034 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.978 -1.054 10.967 1.00 0.00 H new ATOM 0 HH TYR A 24 9.666 -1.968 9.866 1.00 0.00 H new ATOM 194 N LYS A 25 0.746 -2.940 10.667 1.00 0.00 N ATOM 195 CA LYS A 25 -0.673 -2.832 10.914 1.00 0.00 C ATOM 196 C LYS A 25 -1.308 -1.554 10.389 1.00 0.00 C ATOM 197 O LYS A 25 -2.527 -1.416 10.417 1.00 0.00 O ATOM 198 CB LYS A 25 -0.972 -3.046 12.396 1.00 0.00 C ATOM 199 CG LYS A 25 -0.736 -4.484 12.821 1.00 0.00 C ATOM 200 CD LYS A 25 -1.232 -4.673 14.257 1.00 0.00 C ATOM 201 CE LYS A 25 -0.915 -6.034 14.870 1.00 0.00 C ATOM 202 NZ LYS A 25 -0.998 -6.027 16.330 1.00 0.00 N ATOM 0 H LYS A 25 1.289 -2.915 11.530 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.143 -3.628 10.336 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.344 -2.384 12.992 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.007 -2.773 12.600 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.260 -5.165 12.150 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.325 -4.726 12.755 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.792 -3.897 14.883 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.312 -4.524 14.276 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.608 -6.777 14.474 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.087 -6.340 14.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.774 -6.975 16.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.319 -5.339 16.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.961 -5.762 16.622 1.00 0.00 H new ATOM 216 N ILE A 26 -0.543 -0.636 9.793 1.00 0.00 N ATOM 217 CA ILE A 26 -1.081 0.377 8.912 1.00 0.00 C ATOM 218 C ILE A 26 -1.886 -0.151 7.722 1.00 0.00 C ATOM 219 O ILE A 26 -2.840 0.471 7.284 1.00 0.00 O ATOM 220 CB ILE A 26 0.061 1.281 8.487 1.00 0.00 C ATOM 221 CG1 ILE A 26 1.304 0.620 7.922 1.00 0.00 C ATOM 222 CG2 ILE A 26 0.441 2.234 9.618 1.00 0.00 C ATOM 223 CD1 ILE A 26 2.165 1.278 6.861 1.00 0.00 C ATOM 0 H ILE A 26 0.468 -0.583 9.915 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.829 0.938 9.472 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.354 1.817 7.634 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.958 0.410 8.768 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.989 -0.341 7.516 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.262 2.874 9.294 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.419 2.851 9.879 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.752 1.658 10.490 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.998 0.622 6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.566 1.461 5.969 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.550 2.224 7.240 1.00 0.00 H new ATOM 235 N ILE A 27 -1.602 -1.363 7.241 1.00 0.00 N ATOM 236 CA ILE A 27 -2.185 -1.940 6.056 1.00 0.00 C ATOM 237 C ILE A 27 -2.464 -3.419 6.284 1.00 0.00 C ATOM 238 O ILE A 27 -3.477 -3.919 5.805 1.00 0.00 O ATOM 239 CB ILE A 27 -1.477 -1.499 4.771 1.00 0.00 C ATOM 240 CG1 ILE A 27 -2.122 -2.107 3.536 1.00 0.00 C ATOM 241 CG2 ILE A 27 0.015 -1.846 4.781 1.00 0.00 C ATOM 242 CD1 ILE A 27 -3.504 -1.541 3.209 1.00 0.00 C ATOM 0 H ILE A 27 -0.931 -1.984 7.694 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.176 -1.529 5.863 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.581 -0.415 4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.465 -1.948 2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.207 -3.184 3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.472 -1.513 3.849 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.499 -1.347 5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.137 -2.925 4.880 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.894 -2.027 2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.179 -1.723 4.045 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.426 -0.468 3.034 1.00 0.00 H new ATOM 254 N LYS A 28 -1.708 -4.196 7.048 1.00 0.00 N ATOM 255 CA LYS A 28 -1.774 -5.639 7.017 1.00 0.00 C ATOM 256 C LYS A 28 -3.060 -6.186 7.629 1.00 0.00 C ATOM 257 O LYS A 28 -3.842 -6.922 7.032 1.00 0.00 O ATOM 258 CB LYS A 28 -0.501 -6.257 7.588 1.00 0.00 C ATOM 259 CG LYS A 28 -0.484 -7.748 7.280 1.00 0.00 C ATOM 260 CD LYS A 28 0.893 -8.321 7.652 1.00 0.00 C ATOM 261 CE LYS A 28 0.880 -9.820 7.374 1.00 0.00 C ATOM 262 NZ LYS A 28 2.026 -10.631 7.808 1.00 0.00 N ATOM 0 H LYS A 28 -1.026 -3.831 7.712 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.822 -5.947 5.973 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.376 -5.775 7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.456 -6.096 8.665 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.268 -8.257 7.841 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.688 -7.916 6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.676 -7.834 7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.111 -8.132 8.703 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.013 -10.234 7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.769 -9.955 6.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.866 -11.625 7.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.891 -10.286 7.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.133 -10.557 8.840 1.00 0.00 H new ATOM 276 N THR A 29 -3.377 -5.694 8.827 1.00 0.00 N ATOM 277 CA THR A 29 -4.561 -5.955 9.613 1.00 0.00 C ATOM 278 C THR A 29 -5.740 -5.413 8.822 1.00 0.00 C ATOM 279 O THR A 29 -6.770 -6.072 8.703 1.00 0.00 O ATOM 280 CB THR A 29 -4.519 -5.306 10.992 1.00 0.00 C ATOM 281 OG1 THR A 29 -3.818 -4.087 10.866 1.00 0.00 O ATOM 282 CG2 THR A 29 -3.768 -6.211 11.966 1.00 0.00 C ATOM 0 H THR A 29 -2.750 -5.047 9.305 1.00 0.00 H new ATOM 0 HA THR A 29 -4.640 -7.027 9.791 1.00 0.00 H new ATOM 0 HB THR A 29 -5.530 -5.143 11.366 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.911 -3.569 11.693 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.741 -5.743 12.950 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.277 -7.172 12.035 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.750 -6.364 11.609 1.00 0.00 H new ATOM 290 N ALA A 30 -5.557 -4.254 8.189 1.00 0.00 N ATOM 291 CA ALA A 30 -6.548 -3.475 7.476 1.00 0.00 C ATOM 292 C ALA A 30 -7.208 -4.112 6.246 1.00 0.00 C ATOM 293 O ALA A 30 -8.434 -4.206 6.229 1.00 0.00 O ATOM 294 CB ALA A 30 -6.007 -2.056 7.231 1.00 0.00 C ATOM 0 H ALA A 30 -4.640 -3.809 8.164 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.410 -3.431 8.142 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.753 -1.470 6.694 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.790 -1.579 8.187 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.094 -2.112 6.638 1.00 0.00 H new ATOM 300 N ARG A 31 -6.413 -4.470 5.249 1.00 0.00 N ATOM 301 CA ARG A 31 -6.867 -5.278 4.142 1.00 0.00 C ATOM 302 C ARG A 31 -7.805 -6.375 4.654 1.00 0.00 C ATOM 303 O ARG A 31 -8.805 -6.644 4.009 1.00 0.00 O ATOM 304 CB ARG A 31 -5.706 -5.754 3.259 1.00 0.00 C ATOM 305 CG ARG A 31 -4.738 -6.682 3.970 1.00 0.00 C ATOM 306 CD ARG A 31 -3.719 -7.394 3.086 1.00 0.00 C ATOM 307 NE ARG A 31 -2.947 -8.392 3.843 1.00 0.00 N ATOM 308 CZ ARG A 31 -1.813 -8.858 3.299 1.00 0.00 C ATOM 309 NH1 ARG A 31 -1.339 -8.656 2.062 1.00 0.00 N ATOM 310 NH2 ARG A 31 -0.990 -9.546 4.088 1.00 0.00 N ATOM 0 H ARG A 31 -5.430 -4.203 5.191 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.463 -4.672 3.460 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.111 -6.266 2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.160 -4.885 2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.197 -6.105 4.720 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.316 -7.437 4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.233 -7.883 2.258 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.039 -6.661 2.651 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.265 -8.720 4.755 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.864 -8.082 1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.453 -9.076 1.780 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.233 -9.701 5.067 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.117 -9.918 3.714 1.00 0.00 H new ATOM 324 N GLU A 32 -7.554 -7.135 5.723 1.00 0.00 N ATOM 325 CA GLU A 32 -8.489 -8.013 6.398 1.00 0.00 C ATOM 326 C GLU A 32 -9.754 -7.381 6.962 1.00 0.00 C ATOM 327 O GLU A 32 -10.793 -7.996 6.727 1.00 0.00 O ATOM 328 CB GLU A 32 -7.714 -8.889 7.373 1.00 0.00 C ATOM 329 CG GLU A 32 -6.952 -9.928 6.554 1.00 0.00 C ATOM 330 CD GLU A 32 -6.341 -11.079 7.339 1.00 0.00 C ATOM 331 OE1 GLU A 32 -6.350 -11.047 8.594 1.00 0.00 O ATOM 332 OE2 GLU A 32 -5.735 -11.923 6.654 1.00 0.00 O ATOM 0 H GLU A 32 -6.633 -7.148 6.161 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.944 -8.640 5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.024 -8.287 7.964 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.393 -9.376 8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.630 -10.343 5.808 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.154 -9.420 6.012 1.00 0.00 H new ATOM 339 N GLN A 33 -9.722 -6.268 7.691 1.00 0.00 N ATOM 340 CA GLN A 33 -10.926 -5.688 8.252 1.00 0.00 C ATOM 341 C GLN A 33 -11.810 -5.034 7.188 1.00 0.00 C ATOM 342 O GLN A 33 -12.885 -4.506 7.455 1.00 0.00 O ATOM 343 CB GLN A 33 -10.630 -4.789 9.440 1.00 0.00 C ATOM 344 CG GLN A 33 -10.219 -5.660 10.610 1.00 0.00 C ATOM 345 CD GLN A 33 -10.015 -4.872 11.904 1.00 0.00 C ATOM 346 OE1 GLN A 33 -8.916 -4.803 12.450 1.00 0.00 O ATOM 347 NE2 GLN A 33 -10.927 -4.036 12.417 1.00 0.00 N ATOM 0 H GLN A 33 -8.868 -5.752 7.904 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.521 -6.510 8.651 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.835 -4.085 9.194 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.510 -4.199 9.697 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.981 -6.422 10.773 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.295 -6.181 10.360 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.872 -4.015 12.034 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.676 -3.420 13.191 1.00 0.00 H new ATOM 356 N LEU A 34 -11.462 -4.990 5.907 1.00 0.00 N ATOM 357 CA LEU A 34 -12.187 -4.363 4.818 1.00 0.00 C ATOM 358 C LEU A 34 -12.906 -5.471 4.065 1.00 0.00 C ATOM 359 O LEU A 34 -14.022 -5.286 3.583 1.00 0.00 O ATOM 360 CB LEU A 34 -11.235 -3.590 3.912 1.00 0.00 C ATOM 361 CG LEU A 34 -10.559 -2.289 4.324 1.00 0.00 C ATOM 362 CD1 LEU A 34 -9.497 -1.814 3.358 1.00 0.00 C ATOM 363 CD2 LEU A 34 -11.640 -1.221 4.566 1.00 0.00 C ATOM 0 H LEU A 34 -10.599 -5.426 5.582 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.909 -3.638 5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.435 -4.281 3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.788 -3.373 2.998 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.013 -2.478 5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.064 -0.883 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.716 -2.570 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.945 -1.647 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.167 -0.285 4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.210 -1.066 3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -12.310 -1.555 5.358 1.00 0.00 H new ATOM 375 N GLY A 35 -12.436 -6.716 4.183 1.00 0.00 N ATOM 376 CA GLY A 35 -12.929 -7.889 3.486 1.00 0.00 C ATOM 377 C GLY A 35 -12.777 -7.872 1.973 1.00 0.00 C ATOM 378 O GLY A 35 -13.088 -8.785 1.216 1.00 0.00 O ATOM 0 H GLY A 35 -11.658 -6.936 4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.409 -8.765 3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.985 -8.013 3.725 1.00 0.00 H new ATOM 382 N ILE A 36 -12.444 -6.681 1.458 1.00 0.00 N ATOM 383 CA ILE A 36 -12.320 -6.427 0.027 1.00 0.00 C ATOM 384 C ILE A 36 -11.213 -7.116 -0.753 1.00 0.00 C ATOM 385 O ILE A 36 -10.246 -7.602 -0.187 1.00 0.00 O ATOM 386 CB ILE A 36 -12.285 -4.931 -0.264 1.00 0.00 C ATOM 387 CG1 ILE A 36 -11.051 -4.150 0.204 1.00 0.00 C ATOM 388 CG2 ILE A 36 -13.569 -4.180 0.089 1.00 0.00 C ATOM 389 CD1 ILE A 36 -10.854 -2.711 -0.265 1.00 0.00 C ATOM 0 H ILE A 36 -12.252 -5.862 2.034 1.00 0.00 H new ATOM 0 HA ILE A 36 -13.224 -6.907 -0.348 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.198 -4.960 -1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.064 -4.140 1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.171 -4.717 -0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -13.451 -3.124 -0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.400 -4.592 -0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.773 -4.288 1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.933 -2.312 0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.791 -2.688 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.698 -2.103 0.062 1.00 0.00 H new ATOM 401 N SER A 37 -11.236 -7.191 -2.085 1.00 0.00 N ATOM 402 CA SER A 37 -10.228 -7.733 -2.989 1.00 0.00 C ATOM 403 C SER A 37 -9.000 -6.884 -3.270 1.00 0.00 C ATOM 404 O SER A 37 -9.031 -5.666 -3.033 1.00 0.00 O ATOM 405 CB SER A 37 -10.927 -8.141 -4.287 1.00 0.00 C ATOM 406 OG SER A 37 -11.242 -7.055 -5.127 1.00 0.00 O ATOM 0 H SER A 37 -12.040 -6.839 -2.605 1.00 0.00 H new ATOM 0 HA SER A 37 -9.794 -8.581 -2.460 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.287 -8.836 -4.831 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.844 -8.677 -4.042 1.00 0.00 H new ATOM 0 HG SER A 37 -11.684 -7.385 -5.937 1.00 0.00 H new ATOM 412 N GLN A 38 -7.988 -7.423 -3.958 1.00 0.00 N ATOM 413 CA GLN A 38 -6.875 -6.664 -4.484 1.00 0.00 C ATOM 414 C GLN A 38 -7.337 -5.801 -5.650 1.00 0.00 C ATOM 415 O GLN A 38 -6.674 -4.834 -5.995 1.00 0.00 O ATOM 416 CB GLN A 38 -5.573 -7.437 -4.680 1.00 0.00 C ATOM 417 CG GLN A 38 -5.152 -8.120 -3.377 1.00 0.00 C ATOM 418 CD GLN A 38 -5.876 -9.393 -2.975 1.00 0.00 C ATOM 419 OE1 GLN A 38 -6.549 -9.478 -1.947 1.00 0.00 O ATOM 420 NE2 GLN A 38 -6.002 -10.418 -3.818 1.00 0.00 N ATOM 0 H GLN A 38 -7.929 -8.420 -4.163 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.550 -5.979 -3.701 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.701 -8.184 -5.464 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.787 -6.759 -5.012 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.089 -8.348 -3.448 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.270 -7.399 -2.568 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.479 -10.426 -4.693 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.622 -11.195 -3.588 1.00 0.00 H new ATOM 429 N GLN A 39 -8.416 -6.160 -6.339 1.00 0.00 N ATOM 430 CA GLN A 39 -8.907 -5.310 -7.404 1.00 0.00 C ATOM 431 C GLN A 39 -9.547 -4.096 -6.758 1.00 0.00 C ATOM 432 O GLN A 39 -9.340 -2.967 -7.206 1.00 0.00 O ATOM 433 CB GLN A 39 -9.837 -6.070 -8.344 1.00 0.00 C ATOM 434 CG GLN A 39 -9.039 -7.015 -9.255 1.00 0.00 C ATOM 435 CD GLN A 39 -9.865 -8.002 -10.062 1.00 0.00 C ATOM 436 OE1 GLN A 39 -11.023 -8.279 -9.723 1.00 0.00 O ATOM 437 NE2 GLN A 39 -9.232 -8.673 -11.030 1.00 0.00 N ATOM 0 H GLN A 39 -8.952 -7.013 -6.181 1.00 0.00 H new ATOM 0 HA GLN A 39 -8.092 -4.975 -8.045 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.560 -6.642 -7.763 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.403 -5.364 -8.952 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.449 -6.412 -9.946 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.335 -7.575 -8.640 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.278 -8.420 -11.286 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.704 -9.438 -11.513 1.00 0.00 H new ATOM 446 N GLN A 40 -10.247 -4.214 -5.614 1.00 0.00 N ATOM 447 CA GLN A 40 -10.853 -3.081 -4.964 1.00 0.00 C ATOM 448 C GLN A 40 -9.860 -2.203 -4.195 1.00 0.00 C ATOM 449 O GLN A 40 -9.912 -0.979 -4.222 1.00 0.00 O ATOM 450 CB GLN A 40 -11.937 -3.619 -4.056 1.00 0.00 C ATOM 451 CG GLN A 40 -13.060 -4.377 -4.752 1.00 0.00 C ATOM 452 CD GLN A 40 -13.882 -5.148 -3.715 1.00 0.00 C ATOM 453 OE1 GLN A 40 -13.668 -6.312 -3.423 1.00 0.00 O ATOM 454 NE2 GLN A 40 -14.830 -4.521 -3.017 1.00 0.00 N ATOM 0 H GLN A 40 -10.397 -5.100 -5.132 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.264 -2.416 -5.724 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.477 -4.280 -3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.372 -2.785 -3.505 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.701 -3.681 -5.294 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.645 -5.067 -5.487 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.051 -3.546 -3.219 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.334 -5.017 -2.282 1.00 0.00 H new ATOM 463 N LEU A 41 -8.789 -2.783 -3.626 1.00 0.00 N ATOM 464 CA LEU A 41 -7.727 -2.207 -2.835 1.00 0.00 C ATOM 465 C LEU A 41 -6.806 -1.391 -3.729 1.00 0.00 C ATOM 466 O LEU A 41 -6.293 -0.408 -3.193 1.00 0.00 O ATOM 467 CB LEU A 41 -7.038 -3.387 -2.153 1.00 0.00 C ATOM 468 CG LEU A 41 -6.104 -3.105 -0.979 1.00 0.00 C ATOM 469 CD1 LEU A 41 -6.795 -2.693 0.318 1.00 0.00 C ATOM 470 CD2 LEU A 41 -5.404 -4.455 -0.813 1.00 0.00 C ATOM 0 H LEU A 41 -8.646 -3.787 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.081 -1.508 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.814 -4.067 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.465 -3.920 -2.912 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.455 -2.253 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.045 -2.516 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.367 -1.780 0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.467 -3.488 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.692 -4.397 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.145 -5.225 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.876 -4.706 -1.733 1.00 0.00 H new ATOM 482 N ALA A 42 -6.521 -1.774 -4.968 1.00 0.00 N ATOM 483 CA ALA A 42 -5.730 -0.984 -5.882 1.00 0.00 C ATOM 484 C ALA A 42 -6.324 0.397 -6.139 1.00 0.00 C ATOM 485 O ALA A 42 -5.591 1.347 -6.389 1.00 0.00 O ATOM 486 CB ALA A 42 -5.518 -1.807 -7.156 1.00 0.00 C ATOM 0 H ALA A 42 -6.842 -2.657 -5.365 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.760 -0.767 -5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.922 -1.233 -7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.997 -2.732 -6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.484 -2.043 -7.602 1.00 0.00 H new ATOM 492 N GLN A 43 -7.661 0.498 -6.149 1.00 0.00 N ATOM 493 CA GLN A 43 -8.420 1.731 -6.130 1.00 0.00 C ATOM 494 C GLN A 43 -8.152 2.554 -4.881 1.00 0.00 C ATOM 495 O GLN A 43 -8.019 3.775 -4.992 1.00 0.00 O ATOM 496 CB GLN A 43 -9.898 1.425 -6.328 1.00 0.00 C ATOM 497 CG GLN A 43 -10.229 0.518 -7.516 1.00 0.00 C ATOM 498 CD GLN A 43 -11.680 0.158 -7.775 1.00 0.00 C ATOM 499 OE1 GLN A 43 -12.610 0.909 -7.529 1.00 0.00 O ATOM 500 NE2 GLN A 43 -11.915 -1.123 -8.060 1.00 0.00 N ATOM 0 H GLN A 43 -8.261 -0.327 -6.172 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.089 2.356 -6.960 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.280 0.959 -5.420 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.433 2.367 -6.452 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.841 0.997 -8.415 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -9.676 -0.412 -7.386 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.138 -1.751 -8.266 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.872 -1.475 -8.072 1.00 0.00 H new ATOM 509 N LYS A 44 -8.236 1.922 -3.716 1.00 0.00 N ATOM 510 CA LYS A 44 -8.134 2.691 -2.486 1.00 0.00 C ATOM 511 C LYS A 44 -6.743 3.234 -2.208 1.00 0.00 C ATOM 512 O LYS A 44 -6.588 4.194 -1.448 1.00 0.00 O ATOM 513 CB LYS A 44 -8.432 1.787 -1.304 1.00 0.00 C ATOM 514 CG LYS A 44 -9.895 1.502 -0.970 1.00 0.00 C ATOM 515 CD LYS A 44 -10.879 2.663 -1.138 1.00 0.00 C ATOM 516 CE LYS A 44 -12.213 2.239 -0.507 1.00 0.00 C ATOM 517 NZ LYS A 44 -13.278 3.217 -0.772 1.00 0.00 N ATOM 0 H LYS A 44 -8.369 0.918 -3.599 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.834 3.517 -2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.938 0.832 -1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.968 2.227 -0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.232 0.677 -1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.947 1.159 0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.496 3.562 -0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.013 2.901 -2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.508 1.266 -0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.085 2.123 0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.163 2.895 -0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.008 4.140 -0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.417 3.309 -1.799 1.00 0.00 H new ATOM 531 N LEU A 45 -5.715 2.657 -2.846 1.00 0.00 N ATOM 532 CA LEU A 45 -4.335 2.955 -2.496 1.00 0.00 C ATOM 533 C LEU A 45 -3.659 3.917 -3.452 1.00 0.00 C ATOM 534 O LEU A 45 -2.542 4.331 -3.173 1.00 0.00 O ATOM 535 CB LEU A 45 -3.522 1.686 -2.227 1.00 0.00 C ATOM 536 CG LEU A 45 -3.976 0.840 -1.043 1.00 0.00 C ATOM 537 CD1 LEU A 45 -3.238 -0.486 -0.937 1.00 0.00 C ATOM 538 CD2 LEU A 45 -3.886 1.545 0.315 1.00 0.00 C ATOM 0 H LEU A 45 -5.821 1.984 -3.605 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.374 3.497 -1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.548 1.065 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.482 1.972 -2.067 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.028 0.661 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.608 -1.040 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.406 -1.069 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.171 -0.300 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.229 0.870 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.852 1.831 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.513 2.436 0.304 1.00 0.00 H new ATOM 550 N LYS A 46 -4.309 4.218 -4.585 1.00 0.00 N ATOM 551 CA LYS A 46 -3.745 4.830 -5.774 1.00 0.00 C ATOM 552 C LYS A 46 -2.643 4.064 -6.492 1.00 0.00 C ATOM 553 O LYS A 46 -2.464 4.289 -7.695 1.00 0.00 O ATOM 554 CB LYS A 46 -3.479 6.323 -5.594 1.00 0.00 C ATOM 555 CG LYS A 46 -4.704 7.187 -5.333 1.00 0.00 C ATOM 556 CD LYS A 46 -5.214 7.139 -3.893 1.00 0.00 C ATOM 557 CE LYS A 46 -6.080 8.362 -3.597 1.00 0.00 C ATOM 558 NZ LYS A 46 -6.211 8.411 -2.136 1.00 0.00 N ATOM 0 H LYS A 46 -5.305 4.024 -4.692 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.548 4.747 -6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.784 6.452 -4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.980 6.694 -6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.466 8.220 -5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.506 6.871 -6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.792 6.229 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.371 7.106 -3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.617 9.272 -3.979 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.056 8.276 -4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.615 9.327 -1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.837 7.644 -1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.274 8.297 -1.699 1.00 0.00 H new ATOM 572 N VAL A 47 -2.047 3.078 -5.814 1.00 0.00 N ATOM 573 CA VAL A 47 -0.959 2.265 -6.323 1.00 0.00 C ATOM 574 C VAL A 47 -1.415 0.866 -6.728 1.00 0.00 C ATOM 575 O VAL A 47 -2.490 0.374 -6.425 1.00 0.00 O ATOM 576 CB VAL A 47 0.100 1.964 -5.272 1.00 0.00 C ATOM 577 CG1 VAL A 47 0.667 3.231 -4.654 1.00 0.00 C ATOM 578 CG2 VAL A 47 -0.301 0.991 -4.151 1.00 0.00 C ATOM 0 H VAL A 47 -2.324 2.823 -4.866 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.580 2.859 -7.155 1.00 0.00 H new ATOM 0 HB VAL A 47 0.861 1.444 -5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.419 2.968 -3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.125 3.842 -5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.135 3.793 -4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.537 0.859 -3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.154 1.396 -3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.571 0.028 -4.584 1.00 0.00 H new ATOM 588 N SER A 48 -0.560 0.150 -7.466 1.00 0.00 N ATOM 589 CA SER A 48 -0.880 -1.186 -7.896 1.00 0.00 C ATOM 590 C SER A 48 -0.820 -2.270 -6.827 1.00 0.00 C ATOM 591 O SER A 48 -0.111 -2.139 -5.822 1.00 0.00 O ATOM 592 CB SER A 48 0.130 -1.547 -8.969 1.00 0.00 C ATOM 593 OG SER A 48 1.466 -1.414 -8.550 1.00 0.00 O ATOM 0 H SER A 48 0.354 0.486 -7.770 1.00 0.00 H new ATOM 0 HA SER A 48 -1.919 -1.162 -8.224 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.042 -2.575 -9.287 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.034 -0.912 -9.840 1.00 0.00 H new ATOM 0 HG SER A 48 2.065 -1.662 -9.284 1.00 0.00 H new ATOM 599 N GLU A 49 -1.363 -3.466 -7.078 1.00 0.00 N ATOM 600 CA GLU A 49 -1.232 -4.549 -6.118 1.00 0.00 C ATOM 601 C GLU A 49 0.235 -5.006 -6.127 1.00 0.00 C ATOM 602 O GLU A 49 0.656 -5.671 -5.194 1.00 0.00 O ATOM 603 CB GLU A 49 -2.264 -5.645 -6.346 1.00 0.00 C ATOM 604 CG GLU A 49 -2.061 -6.311 -7.699 1.00 0.00 C ATOM 605 CD GLU A 49 -3.093 -7.423 -7.854 1.00 0.00 C ATOM 606 OE1 GLU A 49 -2.879 -8.535 -7.339 1.00 0.00 O ATOM 607 OE2 GLU A 49 -4.122 -7.221 -8.508 1.00 0.00 O ATOM 0 H GLU A 49 -1.886 -3.699 -7.922 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.463 -4.212 -5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.189 -6.391 -5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.267 -5.222 -6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.169 -5.580 -8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.053 -6.718 -7.773 1.00 0.00 H new ATOM 614 N ASN A 50 0.985 -4.776 -7.201 1.00 0.00 N ATOM 615 CA ASN A 50 2.419 -4.996 -7.286 1.00 0.00 C ATOM 616 C ASN A 50 3.160 -4.097 -6.311 1.00 0.00 C ATOM 617 O ASN A 50 4.173 -4.546 -5.778 1.00 0.00 O ATOM 618 CB ASN A 50 2.991 -4.989 -8.694 1.00 0.00 C ATOM 619 CG ASN A 50 4.458 -5.395 -8.683 1.00 0.00 C ATOM 620 OD1 ASN A 50 4.794 -6.546 -8.432 1.00 0.00 O ATOM 621 ND2 ASN A 50 5.277 -4.440 -9.140 1.00 0.00 N ATOM 0 H ASN A 50 0.590 -4.416 -8.070 1.00 0.00 H new ATOM 0 HA ASN A 50 2.588 -6.027 -6.974 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.424 -5.674 -9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.887 -3.995 -9.129 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.262 -4.648 -9.304 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.916 -3.504 -9.324 1.00 0.00 H new ATOM 628 N ILE A 51 2.834 -2.844 -6.004 1.00 0.00 N ATOM 629 CA ILE A 51 3.522 -2.157 -4.927 1.00 0.00 C ATOM 630 C ILE A 51 3.158 -2.768 -3.585 1.00 0.00 C ATOM 631 O ILE A 51 3.945 -2.814 -2.646 1.00 0.00 O ATOM 632 CB ILE A 51 3.184 -0.676 -5.027 1.00 0.00 C ATOM 633 CG1 ILE A 51 3.838 -0.019 -6.245 1.00 0.00 C ATOM 634 CG2 ILE A 51 3.623 0.138 -3.822 1.00 0.00 C ATOM 635 CD1 ILE A 51 5.306 0.395 -6.086 1.00 0.00 C ATOM 0 H ILE A 51 2.114 -2.298 -6.477 1.00 0.00 H new ATOM 0 HA ILE A 51 4.603 -2.269 -5.014 1.00 0.00 H new ATOM 0 HB ILE A 51 2.097 -0.667 -5.100 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.766 -0.709 -7.086 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.259 0.866 -6.508 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.347 1.182 -3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.133 -0.245 -2.926 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.704 0.061 -3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.659 0.848 -7.013 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.395 1.115 -5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.909 -0.484 -5.859 1.00 0.00 H new ATOM 647 N VAL A 52 1.870 -3.092 -3.469 1.00 0.00 N ATOM 648 CA VAL A 52 1.311 -3.715 -2.288 1.00 0.00 C ATOM 649 C VAL A 52 2.064 -4.986 -1.926 1.00 0.00 C ATOM 650 O VAL A 52 2.473 -5.126 -0.770 1.00 0.00 O ATOM 651 CB VAL A 52 -0.198 -3.862 -2.364 1.00 0.00 C ATOM 652 CG1 VAL A 52 -0.789 -4.790 -1.298 1.00 0.00 C ATOM 653 CG2 VAL A 52 -0.861 -2.488 -2.271 1.00 0.00 C ATOM 0 H VAL A 52 1.185 -2.924 -4.206 1.00 0.00 H new ATOM 0 HA VAL A 52 1.462 -3.041 -1.445 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.406 -4.328 -3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.871 -4.842 -1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.363 -5.787 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.554 -4.402 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.944 -2.602 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.593 -2.018 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.519 -1.863 -3.096 1.00 0.00 H new ATOM 663 N LYS A 53 2.381 -5.874 -2.865 1.00 0.00 N ATOM 664 CA LYS A 53 3.269 -7.035 -2.770 1.00 0.00 C ATOM 665 C LYS A 53 4.629 -6.493 -2.370 1.00 0.00 C ATOM 666 O LYS A 53 5.149 -7.069 -1.404 1.00 0.00 O ATOM 667 CB LYS A 53 3.437 -7.750 -4.105 1.00 0.00 C ATOM 668 CG LYS A 53 2.153 -8.571 -4.256 1.00 0.00 C ATOM 669 CD LYS A 53 2.278 -9.226 -5.635 1.00 0.00 C ATOM 670 CE LYS A 53 1.050 -10.016 -6.074 1.00 0.00 C ATOM 671 NZ LYS A 53 0.675 -11.028 -5.088 1.00 0.00 N ATOM 0 H LYS A 53 1.986 -5.793 -3.802 1.00 0.00 H new ATOM 0 HA LYS A 53 2.850 -7.748 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.555 -7.041 -4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.320 -8.389 -4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.065 -9.319 -3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.268 -7.938 -4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.479 -8.451 -6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.140 -9.893 -5.630 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.215 -9.333 -6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.251 -10.498 -7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.099 -11.611 -5.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.495 -11.633 -4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.361 -10.561 -4.213 1.00 0.00 H new ATOM 685 N ARG A 54 5.267 -5.578 -3.119 1.00 0.00 N ATOM 686 CA ARG A 54 6.676 -5.313 -2.962 1.00 0.00 C ATOM 687 C ARG A 54 7.005 -4.992 -1.513 1.00 0.00 C ATOM 688 O ARG A 54 7.975 -5.540 -0.988 1.00 0.00 O ATOM 689 CB ARG A 54 7.204 -4.320 -4.003 1.00 0.00 C ATOM 690 CG ARG A 54 7.589 -5.031 -5.305 1.00 0.00 C ATOM 691 CD ARG A 54 7.890 -4.003 -6.400 1.00 0.00 C ATOM 692 NE ARG A 54 8.224 -4.688 -7.642 1.00 0.00 N ATOM 693 CZ ARG A 54 8.691 -4.170 -8.791 1.00 0.00 C ATOM 694 NH1 ARG A 54 9.087 -2.885 -8.832 1.00 0.00 N ATOM 695 NH2 ARG A 54 8.844 -5.008 -9.827 1.00 0.00 N ATOM 0 H ARG A 54 4.812 -5.016 -3.838 1.00 0.00 H new ATOM 0 HA ARG A 54 7.236 -6.222 -3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.444 -3.567 -4.209 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.072 -3.796 -3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.462 -5.662 -5.139 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.778 -5.686 -5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.026 -3.356 -6.552 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.717 -3.363 -6.093 1.00 0.00 H new ATOM 0 HE ARG A 54 8.084 -5.698 -7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.032 -2.307 -7.993 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.442 -2.488 -9.702 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.609 -5.995 -9.724 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.196 -4.658 -10.718 1.00 0.00 H new ATOM 709 N PHE A 55 6.129 -4.238 -0.851 1.00 0.00 N ATOM 710 CA PHE A 55 6.310 -3.944 0.551 1.00 0.00 C ATOM 711 C PHE A 55 6.079 -5.157 1.444 1.00 0.00 C ATOM 712 O PHE A 55 6.923 -5.422 2.294 1.00 0.00 O ATOM 713 CB PHE A 55 5.312 -2.859 0.977 1.00 0.00 C ATOM 714 CG PHE A 55 5.554 -1.375 0.808 1.00 0.00 C ATOM 715 CD1 PHE A 55 5.879 -0.868 -0.454 1.00 0.00 C ATOM 716 CD2 PHE A 55 5.546 -0.414 1.821 1.00 0.00 C ATOM 717 CE1 PHE A 55 6.073 0.467 -0.809 1.00 0.00 C ATOM 718 CE2 PHE A 55 5.710 0.957 1.551 1.00 0.00 C ATOM 719 CZ PHE A 55 5.912 1.396 0.239 1.00 0.00 C ATOM 0 H PHE A 55 5.295 -3.826 -1.269 1.00 0.00 H new ATOM 0 HA PHE A 55 7.343 -3.618 0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.382 -3.078 0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.124 -3.018 2.039 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.993 -1.594 -1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.410 -0.733 2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.328 0.767 -1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.680 1.672 2.360 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.945 2.454 0.027 1.00 0.00 H new ATOM 729 N GLU A 56 4.979 -5.922 1.359 1.00 0.00 N ATOM 730 CA GLU A 56 4.834 -7.189 2.062 1.00 0.00 C ATOM 731 C GLU A 56 6.004 -8.129 1.830 1.00 0.00 C ATOM 732 O GLU A 56 6.355 -8.830 2.781 1.00 0.00 O ATOM 733 CB GLU A 56 3.532 -7.894 1.663 1.00 0.00 C ATOM 734 CG GLU A 56 3.211 -9.029 2.622 1.00 0.00 C ATOM 735 CD GLU A 56 1.864 -9.695 2.348 1.00 0.00 C ATOM 736 OE1 GLU A 56 1.201 -9.489 1.309 1.00 0.00 O ATOM 737 OE2 GLU A 56 1.558 -10.452 3.285 1.00 0.00 O ATOM 0 H GLU A 56 4.166 -5.670 0.796 1.00 0.00 H new ATOM 0 HA GLU A 56 4.809 -6.942 3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.712 -7.176 1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.621 -8.284 0.649 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.998 -9.780 2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.217 -8.645 3.642 1.00 0.00 H new ATOM 744 N SER A 57 6.615 -8.230 0.658 1.00 0.00 N ATOM 745 CA SER A 57 7.708 -9.173 0.509 1.00 0.00 C ATOM 746 C SER A 57 9.106 -8.740 0.943 1.00 0.00 C ATOM 747 O SER A 57 10.082 -9.469 0.773 1.00 0.00 O ATOM 748 CB SER A 57 7.669 -9.665 -0.930 1.00 0.00 C ATOM 749 OG SER A 57 8.041 -8.626 -1.801 1.00 0.00 O ATOM 0 H SER A 57 6.382 -7.690 -0.176 1.00 0.00 H new ATOM 0 HA SER A 57 7.530 -9.966 1.235 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.343 -10.513 -1.052 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.667 -10.017 -1.176 1.00 0.00 H new ATOM 0 HG SER A 57 8.065 -7.779 -1.308 1.00 0.00 H new ATOM 755 N GLY A 58 9.264 -7.560 1.532 1.00 0.00 N ATOM 756 CA GLY A 58 10.463 -7.153 2.257 1.00 0.00 C ATOM 757 C GLY A 58 11.480 -6.473 1.342 1.00 0.00 C ATOM 758 O GLY A 58 12.561 -6.165 1.844 1.00 0.00 O ATOM 0 H GLY A 58 8.542 -6.840 1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.187 -6.472 3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.920 -8.027 2.722 1.00 0.00 H new ATOM 762 N LYS A 59 11.113 -6.200 0.083 1.00 0.00 N ATOM 763 CA LYS A 59 11.933 -5.805 -1.043 1.00 0.00 C ATOM 764 C LYS A 59 11.874 -4.332 -1.428 1.00 0.00 C ATOM 765 O LYS A 59 12.805 -3.832 -2.062 1.00 0.00 O ATOM 766 CB LYS A 59 11.523 -6.670 -2.237 1.00 0.00 C ATOM 767 CG LYS A 59 11.817 -8.153 -2.033 1.00 0.00 C ATOM 768 CD LYS A 59 11.388 -8.715 -3.383 1.00 0.00 C ATOM 769 CE LYS A 59 11.796 -10.187 -3.262 1.00 0.00 C ATOM 770 NZ LYS A 59 11.783 -10.864 -4.574 1.00 0.00 N ATOM 0 H LYS A 59 10.131 -6.260 -0.187 1.00 0.00 H new ATOM 0 HA LYS A 59 12.969 -5.958 -0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.457 -6.540 -2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.047 -6.321 -3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.870 -8.341 -1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.246 -8.578 -1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.317 -8.601 -3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.894 -8.218 -4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.793 -10.254 -2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.116 -10.699 -2.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.064 -11.858 -4.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.825 -10.821 -4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.450 -10.390 -5.216 1.00 0.00 H new ATOM 784 N LEU A 60 10.855 -3.631 -0.914 1.00 0.00 N ATOM 785 CA LEU A 60 10.598 -2.230 -1.122 1.00 0.00 C ATOM 786 C LEU A 60 9.971 -1.497 0.059 1.00 0.00 C ATOM 787 O LEU A 60 9.049 -2.037 0.678 1.00 0.00 O ATOM 788 CB LEU A 60 9.584 -2.025 -2.244 1.00 0.00 C ATOM 789 CG LEU A 60 9.405 -0.583 -2.739 1.00 0.00 C ATOM 790 CD1 LEU A 60 10.694 0.008 -3.282 1.00 0.00 C ATOM 791 CD2 LEU A 60 8.262 -0.658 -3.754 1.00 0.00 C ATOM 0 H LEU A 60 10.158 -4.066 -0.310 1.00 0.00 H new ATOM 0 HA LEU A 60 11.592 -1.833 -1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.880 -2.644 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.616 -2.393 -1.903 1.00 0.00 H new ATOM 0 HG LEU A 60 9.153 0.108 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.513 1.029 -3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.451 0.014 -2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.045 -0.594 -4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.069 0.336 -4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.539 -1.332 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.363 -1.031 -3.263 1.00 0.00 H new ATOM 803 N LYS A 61 10.385 -0.272 0.379 1.00 0.00 N ATOM 804 CA LYS A 61 9.741 0.533 1.401 1.00 0.00 C ATOM 805 C LYS A 61 9.603 1.999 0.990 1.00 0.00 C ATOM 806 O LYS A 61 9.879 2.272 -0.178 1.00 0.00 O ATOM 807 CB LYS A 61 10.461 0.199 2.702 1.00 0.00 C ATOM 808 CG LYS A 61 11.847 0.803 2.971 1.00 0.00 C ATOM 809 CD LYS A 61 12.354 0.443 4.363 1.00 0.00 C ATOM 810 CE LYS A 61 12.393 -1.059 4.595 1.00 0.00 C ATOM 811 NZ LYS A 61 12.647 -1.297 6.029 1.00 0.00 N ATOM 0 H LYS A 61 11.179 0.186 -0.068 1.00 0.00 H new ATOM 0 HA LYS A 61 8.688 0.297 1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.809 0.497 3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.561 -0.885 2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.553 0.444 2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.798 1.887 2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.354 0.855 4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.712 0.907 5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.449 -1.515 4.295 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.175 -1.517 3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.678 -2.321 6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.557 -0.870 6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.885 -0.868 6.592 1.00 0.00 H new ATOM 825 N PRO A 62 9.318 2.906 1.935 1.00 0.00 N ATOM 826 CA PRO A 62 9.229 4.303 1.597 1.00 0.00 C ATOM 827 C PRO A 62 10.576 5.009 1.702 1.00 0.00 C ATOM 828 O PRO A 62 11.423 4.560 2.474 1.00 0.00 O ATOM 829 CB PRO A 62 8.303 4.832 2.686 1.00 0.00 C ATOM 830 CG PRO A 62 8.553 4.002 3.940 1.00 0.00 C ATOM 831 CD PRO A 62 8.896 2.659 3.293 1.00 0.00 C ATOM 0 HA PRO A 62 8.889 4.464 0.574 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.500 5.887 2.878 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.261 4.754 2.375 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.369 4.395 4.546 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.676 3.944 4.585 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.687 2.159 3.852 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.029 1.998 3.307 1.00 0.00 H new ATOM 839 N THR A 63 10.824 6.046 0.894 1.00 0.00 N ATOM 840 CA THR A 63 12.106 6.711 0.770 1.00 0.00 C ATOM 841 C THR A 63 11.980 8.207 0.543 1.00 0.00 C ATOM 842 O THR A 63 10.853 8.691 0.541 1.00 0.00 O ATOM 843 CB THR A 63 13.016 6.056 -0.259 1.00 0.00 C ATOM 844 OG1 THR A 63 12.505 6.352 -1.553 1.00 0.00 O ATOM 845 CG2 THR A 63 13.301 4.576 -0.002 1.00 0.00 C ATOM 0 H THR A 63 10.107 6.452 0.292 1.00 0.00 H new ATOM 0 HA THR A 63 12.590 6.585 1.739 1.00 0.00 H new ATOM 0 HB THR A 63 14.015 6.483 -0.174 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.999 5.838 -2.225 1.00 0.00 H new ATOM 0 HG21 THR A 63 13.957 4.191 -0.783 1.00 0.00 H new ATOM 0 HG22 THR A 63 13.786 4.462 0.968 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.364 4.019 -0.007 1.00 0.00 H new ATOM 853 N ILE A 64 13.088 8.958 0.395 1.00 0.00 N ATOM 854 CA ILE A 64 13.107 10.388 0.183 1.00 0.00 C ATOM 855 C ILE A 64 12.781 10.647 -1.287 1.00 0.00 C ATOM 856 O ILE A 64 12.025 11.583 -1.552 1.00 0.00 O ATOM 857 CB ILE A 64 14.470 10.903 0.635 1.00 0.00 C ATOM 858 CG1 ILE A 64 14.505 12.418 0.510 1.00 0.00 C ATOM 859 CG2 ILE A 64 15.668 10.420 -0.175 1.00 0.00 C ATOM 860 CD1 ILE A 64 13.471 13.013 1.453 1.00 0.00 C ATOM 0 H ILE A 64 14.024 8.553 0.424 1.00 0.00 H new ATOM 0 HA ILE A 64 12.360 10.928 0.765 1.00 0.00 H new ATOM 0 HB ILE A 64 14.565 10.521 1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.499 12.794 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.295 12.717 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 64 16.582 10.849 0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.724 9.332 -0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 64 15.555 10.733 -1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 64 13.487 14.100 1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 64 12.481 12.644 1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 64 13.703 12.722 2.478 1.00 0.00 H new ATOM 872 N SER A 65 13.348 9.909 -2.245 1.00 0.00 N ATOM 873 CA SER A 65 12.866 9.989 -3.622 1.00 0.00 C ATOM 874 C SER A 65 11.368 9.726 -3.622 1.00 0.00 C ATOM 875 O SER A 65 10.644 10.060 -4.567 1.00 0.00 O ATOM 876 CB SER A 65 13.578 8.968 -4.510 1.00 0.00 C ATOM 877 OG SER A 65 13.231 7.637 -4.195 1.00 0.00 O ATOM 0 H SER A 65 14.124 9.264 -2.096 1.00 0.00 H new ATOM 0 HA SER A 65 13.076 10.981 -4.023 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.332 9.166 -5.553 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.656 9.092 -4.407 1.00 0.00 H new ATOM 0 HG SER A 65 13.040 7.567 -3.236 1.00 0.00 H new ATOM 883 N GLN A 66 10.778 9.331 -2.503 1.00 0.00 N ATOM 884 CA GLN A 66 9.349 9.072 -2.554 1.00 0.00 C ATOM 885 C GLN A 66 8.503 9.949 -1.644 1.00 0.00 C ATOM 886 O GLN A 66 7.426 10.379 -2.039 1.00 0.00 O ATOM 887 CB GLN A 66 8.989 7.658 -2.109 1.00 0.00 C ATOM 888 CG GLN A 66 9.285 6.641 -3.218 1.00 0.00 C ATOM 889 CD GLN A 66 8.984 5.227 -2.736 1.00 0.00 C ATOM 890 OE1 GLN A 66 7.879 4.726 -2.941 1.00 0.00 O ATOM 891 NE2 GLN A 66 9.907 4.561 -2.028 1.00 0.00 N ATOM 0 H GLN A 66 11.233 9.190 -1.601 1.00 0.00 H new ATOM 0 HA GLN A 66 9.132 9.267 -3.604 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.554 7.400 -1.213 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.933 7.614 -1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.683 6.868 -4.098 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.330 6.715 -3.519 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.822 4.980 -1.861 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.695 3.635 -1.657 1.00 0.00 H new ATOM 900 N ALA A 67 8.955 10.291 -0.441 1.00 0.00 N ATOM 901 CA ALA A 67 8.099 10.786 0.613 1.00 0.00 C ATOM 902 C ALA A 67 6.984 11.738 0.223 1.00 0.00 C ATOM 903 O ALA A 67 5.905 11.592 0.792 1.00 0.00 O ATOM 904 CB ALA A 67 9.035 11.440 1.637 1.00 0.00 C ATOM 0 H ALA A 67 9.938 10.229 -0.176 1.00 0.00 H new ATOM 0 HA ALA A 67 7.538 9.933 0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.448 11.837 2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.738 10.697 2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.586 12.251 1.161 1.00 0.00 H new ATOM 910 N ARG A 68 7.179 12.786 -0.595 1.00 0.00 N ATOM 911 CA ARG A 68 6.189 13.841 -0.699 1.00 0.00 C ATOM 912 C ARG A 68 4.893 13.488 -1.420 1.00 0.00 C ATOM 913 O ARG A 68 3.871 13.646 -0.755 1.00 0.00 O ATOM 914 CB ARG A 68 6.725 15.139 -1.307 1.00 0.00 C ATOM 915 CG ARG A 68 7.831 15.659 -0.400 1.00 0.00 C ATOM 916 CD ARG A 68 8.233 17.111 -0.690 1.00 0.00 C ATOM 917 NE ARG A 68 8.977 17.251 -1.939 1.00 0.00 N ATOM 918 CZ ARG A 68 8.495 17.540 -3.166 1.00 0.00 C ATOM 919 NH1 ARG A 68 7.198 17.900 -3.183 1.00 0.00 N ATOM 920 NH2 ARG A 68 9.289 17.479 -4.235 1.00 0.00 N ATOM 0 H ARG A 68 8.004 12.914 -1.181 1.00 0.00 H new ATOM 0 HA ARG A 68 5.948 13.987 0.354 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.108 14.960 -2.312 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.927 15.876 -1.397 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.505 15.582 0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.708 15.020 -0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.337 17.730 -0.734 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.840 17.487 0.134 1.00 0.00 H new ATOM 0 HE ARG A 68 9.986 17.113 -1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.667 17.936 -2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.746 18.137 -4.066 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.268 17.212 -4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.918 17.699 -5.159 1.00 0.00 H new ATOM 934 N GLN A 69 4.925 12.965 -2.655 1.00 0.00 N ATOM 935 CA GLN A 69 3.699 12.411 -3.171 1.00 0.00 C ATOM 936 C GLN A 69 3.204 11.224 -2.367 1.00 0.00 C ATOM 937 O GLN A 69 1.983 11.159 -2.206 1.00 0.00 O ATOM 938 CB GLN A 69 3.847 12.031 -4.642 1.00 0.00 C ATOM 939 CG GLN A 69 2.544 11.708 -5.370 1.00 0.00 C ATOM 940 CD GLN A 69 2.859 11.471 -6.840 1.00 0.00 C ATOM 941 OE1 GLN A 69 2.694 12.352 -7.673 1.00 0.00 O ATOM 942 NE2 GLN A 69 3.365 10.281 -7.168 1.00 0.00 N ATOM 0 H GLN A 69 5.738 12.921 -3.269 1.00 0.00 H new ATOM 0 HA GLN A 69 2.947 13.194 -3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.341 12.851 -5.163 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.506 11.166 -4.712 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.076 10.825 -4.936 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.836 12.530 -5.262 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.491 9.566 -6.452 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.626 10.087 -8.135 1.00 0.00 H new ATOM 951 N LEU A 70 4.127 10.362 -1.918 1.00 0.00 N ATOM 952 CA LEU A 70 3.786 9.086 -1.317 1.00 0.00 C ATOM 953 C LEU A 70 2.812 9.369 -0.191 1.00 0.00 C ATOM 954 O LEU A 70 1.709 8.822 -0.140 1.00 0.00 O ATOM 955 CB LEU A 70 5.018 8.358 -0.776 1.00 0.00 C ATOM 956 CG LEU A 70 4.779 7.102 0.055 1.00 0.00 C ATOM 957 CD1 LEU A 70 4.183 6.001 -0.833 1.00 0.00 C ATOM 958 CD2 LEU A 70 6.105 6.582 0.617 1.00 0.00 C ATOM 0 H LEU A 70 5.130 10.540 -1.966 1.00 0.00 H new ATOM 0 HA LEU A 70 3.346 8.434 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.649 8.087 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.586 9.062 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 70 4.097 7.353 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.013 5.105 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.236 6.343 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.876 5.772 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.923 5.685 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.780 6.343 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.558 7.347 1.248 1.00 0.00 H new ATOM 970 N GLU A 71 3.097 10.321 0.700 1.00 0.00 N ATOM 971 CA GLU A 71 2.224 10.718 1.799 1.00 0.00 C ATOM 972 C GLU A 71 0.871 11.172 1.297 1.00 0.00 C ATOM 973 O GLU A 71 -0.200 10.903 1.834 1.00 0.00 O ATOM 974 CB GLU A 71 2.982 11.843 2.528 1.00 0.00 C ATOM 975 CG GLU A 71 2.477 12.055 3.961 1.00 0.00 C ATOM 976 CD GLU A 71 2.926 13.471 4.301 1.00 0.00 C ATOM 977 OE1 GLU A 71 4.160 13.670 4.398 1.00 0.00 O ATOM 978 OE2 GLU A 71 2.108 14.317 4.706 1.00 0.00 O ATOM 0 H GLU A 71 3.968 10.851 0.673 1.00 0.00 H new ATOM 0 HA GLU A 71 2.009 9.886 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.045 11.605 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.876 12.772 1.967 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.393 11.954 4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.905 11.324 4.648 1.00 0.00 H new ATOM 985 N LYS A 72 0.840 12.090 0.332 1.00 0.00 N ATOM 986 CA LYS A 72 -0.352 12.804 -0.088 1.00 0.00 C ATOM 987 C LYS A 72 -1.357 11.994 -0.894 1.00 0.00 C ATOM 988 O LYS A 72 -2.538 12.317 -0.774 1.00 0.00 O ATOM 989 CB LYS A 72 0.090 13.991 -0.938 1.00 0.00 C ATOM 990 CG LYS A 72 0.779 14.999 -0.029 1.00 0.00 C ATOM 991 CD LYS A 72 1.186 16.220 -0.845 1.00 0.00 C ATOM 992 CE LYS A 72 1.917 17.243 0.018 1.00 0.00 C ATOM 993 NZ LYS A 72 3.366 16.957 0.019 1.00 0.00 N ATOM 0 H LYS A 72 1.672 12.361 -0.191 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.870 13.087 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.769 13.663 -1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.769 14.448 -1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.109 15.294 0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.657 14.548 0.434 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.828 15.911 -1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.300 16.678 -1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.736 18.248 -0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.531 17.214 1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.858 17.658 0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.532 16.005 0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.730 17.007 -0.954 1.00 0.00 H new ATOM 1007 N ILE A 73 -1.006 10.973 -1.681 1.00 0.00 N ATOM 1008 CA ILE A 73 -1.984 9.993 -2.122 1.00 0.00 C ATOM 1009 C ILE A 73 -2.541 9.158 -0.982 1.00 0.00 C ATOM 1010 O ILE A 73 -3.646 8.657 -1.186 1.00 0.00 O ATOM 1011 CB ILE A 73 -1.308 9.115 -3.177 1.00 0.00 C ATOM 1012 CG1 ILE A 73 -0.231 8.147 -2.727 1.00 0.00 C ATOM 1013 CG2 ILE A 73 -0.951 9.985 -4.377 1.00 0.00 C ATOM 1014 CD1 ILE A 73 0.048 7.017 -3.718 1.00 0.00 C ATOM 0 H ILE A 73 -0.058 10.810 -2.020 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.846 10.511 -2.542 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.048 8.370 -3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.692 8.701 -2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.524 7.713 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.468 9.373 -5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.858 10.427 -4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.271 10.777 -4.063 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.830 6.370 -3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.861 6.435 -3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.374 7.439 -4.669 1.00 0.00 H new ATOM 1026 N LEU A 74 -1.918 9.131 0.195 1.00 0.00 N ATOM 1027 CA LEU A 74 -2.324 8.732 1.528 1.00 0.00 C ATOM 1028 C LEU A 74 -1.231 8.107 2.378 1.00 0.00 C ATOM 1029 O LEU A 74 -1.396 7.820 3.558 1.00 0.00 O ATOM 1030 CB LEU A 74 -3.656 7.990 1.674 1.00 0.00 C ATOM 1031 CG LEU A 74 -3.633 6.481 1.598 1.00 0.00 C ATOM 1032 CD1 LEU A 74 -4.978 5.865 2.024 1.00 0.00 C ATOM 1033 CD2 LEU A 74 -3.303 5.967 0.196 1.00 0.00 C ATOM 0 H LEU A 74 -0.948 9.446 0.228 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.530 9.716 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.093 8.271 2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.329 8.354 0.898 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.846 6.174 2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.919 4.779 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.200 6.152 3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.769 6.228 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.300 4.877 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.053 6.326 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.320 6.332 -0.103 1.00 0.00 H new ATOM 1045 N GLY A 75 -0.084 7.797 1.758 1.00 0.00 N ATOM 1046 CA GLY A 75 0.952 7.045 2.438 1.00 0.00 C ATOM 1047 C GLY A 75 0.622 5.575 2.633 1.00 0.00 C ATOM 1048 O GLY A 75 1.354 5.002 3.436 1.00 0.00 O ATOM 0 H GLY A 75 0.138 8.057 0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.878 7.126 1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.135 7.498 3.412 1.00 0.00 H new ATOM 1052 N ILE A 76 -0.473 5.044 2.079 1.00 0.00 N ATOM 1053 CA ILE A 76 -1.026 3.716 1.975 1.00 0.00 C ATOM 1054 C ILE A 76 -1.608 3.100 3.249 1.00 0.00 C ATOM 1055 O ILE A 76 -1.873 1.903 3.177 1.00 0.00 O ATOM 1056 CB ILE A 76 -0.118 2.765 1.208 1.00 0.00 C ATOM 1057 CG1 ILE A 76 1.040 2.185 2.012 1.00 0.00 C ATOM 1058 CG2 ILE A 76 0.336 3.158 -0.201 1.00 0.00 C ATOM 1059 CD1 ILE A 76 1.511 0.753 1.812 1.00 0.00 C ATOM 0 H ILE A 76 -1.106 5.686 1.601 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.922 3.875 1.376 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.845 1.972 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.902 2.829 1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.777 2.287 3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.976 2.375 -0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.536 3.284 -0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.892 4.094 -0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.344 0.547 2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.692 0.067 2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.835 0.617 0.780 1.00 0.00 H new ATOM 1071 N LYS A 77 -1.702 3.818 4.357 1.00 0.00 N ATOM 1072 CA LYS A 77 -2.322 3.259 5.542 1.00 0.00 C ATOM 1073 C LYS A 77 -3.836 3.110 5.438 1.00 0.00 C ATOM 1074 O LYS A 77 -4.416 4.043 4.882 1.00 0.00 O ATOM 1075 CB LYS A 77 -1.913 4.065 6.775 1.00 0.00 C ATOM 1076 CG LYS A 77 -2.457 5.487 6.904 1.00 0.00 C ATOM 1077 CD LYS A 77 -1.908 6.198 8.141 1.00 0.00 C ATOM 1078 CE LYS A 77 -2.672 7.511 8.316 1.00 0.00 C ATOM 1079 NZ LYS A 77 -4.006 7.447 8.930 1.00 0.00 N ATOM 0 H LYS A 77 -1.362 4.774 4.458 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.950 2.239 5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.221 3.506 7.659 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.825 4.119 6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.197 6.057 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.545 5.456 6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.025 5.570 9.024 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.841 6.391 8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.057 8.180 8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.776 7.972 7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.408 8.404 8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.626 6.845 8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.929 7.046 9.887 1.00 0.00 H new ATOM 1093 N LEU A 78 -4.451 2.118 6.078 1.00 0.00 N ATOM 1094 CA LEU A 78 -5.883 1.993 6.252 1.00 0.00 C ATOM 1095 C LEU A 78 -6.289 1.629 7.677 1.00 0.00 C ATOM 1096 O LEU A 78 -5.484 0.996 8.365 1.00 0.00 O ATOM 1097 CB LEU A 78 -6.461 1.148 5.115 1.00 0.00 C ATOM 1098 CG LEU A 78 -6.572 1.878 3.792 1.00 0.00 C ATOM 1099 CD1 LEU A 78 -7.133 0.974 2.684 1.00 0.00 C ATOM 1100 CD2 LEU A 78 -7.391 3.162 3.792 1.00 0.00 C ATOM 0 H LEU A 78 -3.935 1.349 6.506 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.361 2.968 6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.835 0.266 4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.450 0.795 5.406 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.537 2.162 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.196 1.537 1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.475 0.116 2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.127 0.627 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.396 3.591 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.414 2.941 4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.950 3.875 4.489 1.00 0.00 H new