USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 661 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 46 LYS NZ :NH3+ -155:sc= 0.078 (180deg=-0.08) USER MOD Set 1.2: A 49 SER OG : rot -150:sc= 0.0723 USER MOD Set 2.1: A 36 HIS : no HD1:sc= -3.72! C(o=-2.2!,f=-6.5!) USER MOD Set 2.2: A 50 SER OG : rot 98:sc= 1.56 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.522 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.362 USER MOD Single : A 34 SER OG : rot 180:sc= -0.107 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.723 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0278 X(o=-0.028,f=-0.028) USER MOD Single : A 68 LYS NZ :NH3+ -154:sc= -0.162 (180deg=-0.695) USER MOD Single : A 75 GLN : amide:sc= -0.013 K(o=-0.013,f=-1.2) USER MOD Single : A 77 MET CE :methyl 166:sc= -2.72 (180deg=-3.17) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc=-0.00535 USER MOD Single : A 90 GLN : amide:sc=-0.00629 K(o=-0.0063,f=-1.3) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 164 N LEU A 14 9.980 29.317 -8.504 1.00 0.00 N ATOM 165 CA LEU A 14 8.762 28.579 -8.190 1.00 0.00 C ATOM 166 C LEU A 14 9.068 27.107 -7.930 1.00 0.00 C ATOM 167 O LEU A 14 10.162 26.627 -8.227 1.00 0.00 O ATOM 168 CB LEU A 14 7.755 28.707 -9.334 1.00 0.00 C ATOM 169 CG LEU A 14 7.963 27.765 -10.520 1.00 0.00 C ATOM 170 CD1 LEU A 14 7.115 26.513 -10.363 1.00 0.00 C ATOM 171 CD2 LEU A 14 7.635 28.472 -11.827 1.00 0.00 C ATOM 0 HA LEU A 14 8.331 29.007 -7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.756 28.538 -8.932 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.781 29.733 -9.702 1.00 0.00 H new ATOM 0 HG LEU A 14 9.012 27.468 -10.543 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.276 25.855 -11.217 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.397 25.995 -9.447 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.062 26.791 -10.313 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.789 27.786 -12.660 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.595 28.799 -11.813 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.286 29.338 -11.945 1.00 0.00 H new ATOM 183 N LYS A 15 8.094 26.395 -7.375 1.00 0.00 N ATOM 184 CA LYS A 15 8.256 24.976 -7.077 1.00 0.00 C ATOM 185 C LYS A 15 6.981 24.204 -7.398 1.00 0.00 C ATOM 186 O LYS A 15 5.912 24.792 -7.562 1.00 0.00 O ATOM 187 CB LYS A 15 8.626 24.782 -5.605 1.00 0.00 C ATOM 188 CG LYS A 15 9.621 23.659 -5.371 1.00 0.00 C ATOM 189 CD LYS A 15 9.395 22.984 -4.029 1.00 0.00 C ATOM 190 CE LYS A 15 9.578 23.959 -2.876 1.00 0.00 C ATOM 191 NZ LYS A 15 9.925 23.260 -1.608 1.00 0.00 N ATOM 0 H LYS A 15 7.183 26.777 -7.122 1.00 0.00 H new ATOM 0 HA LYS A 15 9.061 24.589 -7.701 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.043 25.712 -5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.720 24.578 -5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.533 22.922 -6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.635 24.056 -5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.389 22.565 -3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.091 22.152 -3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.364 24.672 -3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.661 24.532 -2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.041 23.959 -0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.163 22.598 -1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.813 22.734 -1.733 1.00 0.00 H new ATOM 205 N TYR A 16 7.101 22.884 -7.486 1.00 0.00 N ATOM 206 CA TYR A 16 5.958 22.030 -7.787 1.00 0.00 C ATOM 207 C TYR A 16 6.169 20.622 -7.240 1.00 0.00 C ATOM 208 O TYR A 16 7.273 20.082 -7.298 1.00 0.00 O ATOM 209 CB TYR A 16 5.722 21.973 -9.298 1.00 0.00 C ATOM 210 CG TYR A 16 6.972 21.671 -10.094 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.460 20.373 -10.194 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.664 22.683 -10.747 1.00 0.00 C ATOM 213 CE1 TYR A 16 8.601 20.093 -10.919 1.00 0.00 C ATOM 214 CE2 TYR A 16 8.806 22.411 -11.477 1.00 0.00 C ATOM 215 CZ TYR A 16 9.271 21.115 -11.559 1.00 0.00 C ATOM 216 OH TYR A 16 10.407 20.840 -12.284 1.00 0.00 O ATOM 0 H TYR A 16 7.979 22.382 -7.353 1.00 0.00 H new ATOM 0 HA TYR A 16 5.080 22.459 -7.304 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.972 21.211 -9.512 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.311 22.927 -9.630 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.937 19.570 -9.696 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.304 23.699 -10.683 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.967 19.079 -10.985 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.331 23.209 -11.980 1.00 0.00 H new ATOM 0 HH TYR A 16 10.756 21.669 -12.672 1.00 0.00 H new ATOM 226 N GLU A 17 5.101 20.034 -6.710 1.00 0.00 N ATOM 227 CA GLU A 17 5.169 18.689 -6.151 1.00 0.00 C ATOM 228 C GLU A 17 4.112 17.785 -6.779 1.00 0.00 C ATOM 229 O GLU A 17 2.913 18.042 -6.663 1.00 0.00 O ATOM 230 CB GLU A 17 4.983 18.732 -4.633 1.00 0.00 C ATOM 231 CG GLU A 17 6.153 19.362 -3.895 1.00 0.00 C ATOM 232 CD GLU A 17 5.899 19.493 -2.405 1.00 0.00 C ATOM 233 OE1 GLU A 17 4.907 18.912 -1.918 1.00 0.00 O ATOM 234 OE2 GLU A 17 6.694 20.177 -1.727 1.00 0.00 O ATOM 0 H GLU A 17 4.179 20.468 -6.656 1.00 0.00 H new ATOM 0 HA GLU A 17 6.154 18.279 -6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.076 19.290 -4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.836 17.717 -4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.047 18.759 -4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.354 20.348 -4.314 1.00 0.00 H new ATOM 241 N ASP A 18 4.564 16.727 -7.442 1.00 0.00 N ATOM 242 CA ASP A 18 3.658 15.785 -8.088 1.00 0.00 C ATOM 243 C ASP A 18 2.680 15.192 -7.078 1.00 0.00 C ATOM 244 O ASP A 18 3.076 14.761 -5.994 1.00 0.00 O ATOM 245 CB ASP A 18 4.450 14.666 -8.767 1.00 0.00 C ATOM 246 CG ASP A 18 5.613 14.185 -7.922 1.00 0.00 C ATOM 247 OD1 ASP A 18 5.519 14.269 -6.679 1.00 0.00 O ATOM 248 OD2 ASP A 18 6.618 13.724 -8.503 1.00 0.00 O ATOM 0 H ASP A 18 5.553 16.500 -7.546 1.00 0.00 H new ATOM 0 HA ASP A 18 3.089 16.327 -8.844 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.784 13.828 -8.975 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.825 15.021 -9.727 1.00 0.00 H new ATOM 253 N LEU A 19 1.402 15.175 -7.440 1.00 0.00 N ATOM 254 CA LEU A 19 0.367 14.636 -6.565 1.00 0.00 C ATOM 255 C LEU A 19 -0.400 13.513 -7.256 1.00 0.00 C ATOM 256 O LEU A 19 -0.802 12.537 -6.621 1.00 0.00 O ATOM 257 CB LEU A 19 -0.599 15.744 -6.142 1.00 0.00 C ATOM 258 CG LEU A 19 -0.479 16.224 -4.695 1.00 0.00 C ATOM 259 CD1 LEU A 19 0.561 17.327 -4.583 1.00 0.00 C ATOM 260 CD2 LEU A 19 -1.827 16.704 -4.179 1.00 0.00 C ATOM 0 H LEU A 19 1.058 15.528 -8.333 1.00 0.00 H new ATOM 0 HA LEU A 19 0.852 14.228 -5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.450 16.599 -6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.618 15.391 -6.303 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.155 15.385 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.632 17.656 -3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.529 16.949 -4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.268 18.168 -5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.723 17.042 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.180 17.529 -4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.545 15.885 -4.222 1.00 0.00 H new ATOM 272 N THR A 20 -0.598 13.656 -8.563 1.00 0.00 N ATOM 273 CA THR A 20 -1.316 12.654 -9.341 1.00 0.00 C ATOM 274 C THR A 20 -0.949 12.739 -10.818 1.00 0.00 C ATOM 275 O THR A 20 -1.231 13.737 -11.480 1.00 0.00 O ATOM 276 CB THR A 20 -2.841 12.813 -9.192 1.00 0.00 C ATOM 277 OG1 THR A 20 -3.182 13.002 -7.814 1.00 0.00 O ATOM 278 CG2 THR A 20 -3.568 11.594 -9.738 1.00 0.00 C ATOM 0 H THR A 20 -0.271 14.456 -9.105 1.00 0.00 H new ATOM 0 HA THR A 20 -1.021 11.680 -8.951 1.00 0.00 H new ATOM 0 HB THR A 20 -3.151 13.687 -9.765 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.153 13.104 -7.728 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.643 11.729 -9.622 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.330 11.471 -10.795 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.253 10.706 -9.189 1.00 0.00 H new ATOM 286 N GLU A 21 -0.319 11.685 -11.328 1.00 0.00 N ATOM 287 CA GLU A 21 0.086 11.643 -12.728 1.00 0.00 C ATOM 288 C GLU A 21 -1.116 11.837 -13.649 1.00 0.00 C ATOM 289 O GLU A 21 -2.170 11.237 -13.445 1.00 0.00 O ATOM 290 CB GLU A 21 0.773 10.312 -13.043 1.00 0.00 C ATOM 291 CG GLU A 21 1.447 10.282 -14.405 1.00 0.00 C ATOM 292 CD GLU A 21 2.539 9.234 -14.493 1.00 0.00 C ATOM 293 OE1 GLU A 21 3.644 9.484 -13.967 1.00 0.00 O ATOM 294 OE2 GLU A 21 2.289 8.164 -15.086 1.00 0.00 O ATOM 0 H GLU A 21 -0.078 10.850 -10.793 1.00 0.00 H new ATOM 0 HA GLU A 21 0.789 12.458 -12.900 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.518 10.106 -12.274 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.035 9.511 -12.995 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.698 10.086 -15.172 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.872 11.263 -14.617 1.00 0.00 H new ATOM 301 N GLY A 22 -0.947 12.681 -14.662 1.00 0.00 N ATOM 302 CA GLY A 22 -2.025 12.941 -15.598 1.00 0.00 C ATOM 303 C GLY A 22 -1.666 12.553 -17.019 1.00 0.00 C ATOM 304 O GLY A 22 -0.895 13.246 -17.682 1.00 0.00 O ATOM 0 H GLY A 22 -0.083 13.189 -14.851 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.912 12.390 -15.287 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.281 14.000 -15.568 1.00 0.00 H new ATOM 308 N SER A 23 -2.224 11.441 -17.487 1.00 0.00 N ATOM 309 CA SER A 23 -1.954 10.959 -18.836 1.00 0.00 C ATOM 310 C SER A 23 -3.063 11.379 -19.796 1.00 0.00 C ATOM 311 O SER A 23 -3.810 10.544 -20.302 1.00 0.00 O ATOM 312 CB SER A 23 -1.813 9.436 -18.837 1.00 0.00 C ATOM 313 OG SER A 23 -0.985 9.001 -19.902 1.00 0.00 O ATOM 0 H SER A 23 -2.866 10.857 -16.951 1.00 0.00 H new ATOM 0 HA SER A 23 -1.018 11.404 -19.173 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.392 9.106 -17.887 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.797 8.977 -18.927 1.00 0.00 H new ATOM 0 HG SER A 23 -0.910 8.024 -19.880 1.00 0.00 H new ATOM 319 N GLY A 24 -3.162 12.682 -20.041 1.00 0.00 N ATOM 320 CA GLY A 24 -4.182 13.192 -20.939 1.00 0.00 C ATOM 321 C GLY A 24 -3.603 14.051 -22.046 1.00 0.00 C ATOM 322 O GLY A 24 -3.422 13.586 -23.171 1.00 0.00 O ATOM 0 H GLY A 24 -2.555 13.393 -19.634 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.726 12.356 -21.379 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.904 13.777 -20.369 1.00 0.00 H new ATOM 326 N ALA A 25 -3.313 15.308 -21.727 1.00 0.00 N ATOM 327 CA ALA A 25 -2.751 16.234 -22.703 1.00 0.00 C ATOM 328 C ALA A 25 -2.151 17.457 -22.018 1.00 0.00 C ATOM 329 O ALA A 25 -2.722 17.989 -21.067 1.00 0.00 O ATOM 330 CB ALA A 25 -3.817 16.657 -23.704 1.00 0.00 C ATOM 0 H ALA A 25 -3.458 15.709 -20.800 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.951 15.720 -23.236 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.384 17.348 -24.427 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.196 15.778 -24.225 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.636 17.148 -23.178 1.00 0.00 H new ATOM 336 N GLU A 26 -0.996 17.896 -22.507 1.00 0.00 N ATOM 337 CA GLU A 26 -0.318 19.056 -21.940 1.00 0.00 C ATOM 338 C GLU A 26 -1.066 20.342 -22.277 1.00 0.00 C ATOM 339 O GLU A 26 -1.484 20.549 -23.416 1.00 0.00 O ATOM 340 CB GLU A 26 1.120 19.138 -22.457 1.00 0.00 C ATOM 341 CG GLU A 26 1.847 20.403 -22.034 1.00 0.00 C ATOM 342 CD GLU A 26 3.242 20.498 -22.621 1.00 0.00 C ATOM 343 OE1 GLU A 26 4.032 19.550 -22.428 1.00 0.00 O ATOM 344 OE2 GLU A 26 3.544 21.519 -23.273 1.00 0.00 O ATOM 0 H GLU A 26 -0.510 17.466 -23.294 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.300 18.940 -20.856 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.676 18.272 -22.098 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.110 19.082 -23.545 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.267 21.272 -22.344 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.912 20.434 -20.946 1.00 0.00 H new ATOM 351 N ALA A 27 -1.231 21.203 -21.279 1.00 0.00 N ATOM 352 CA ALA A 27 -1.927 22.470 -21.469 1.00 0.00 C ATOM 353 C ALA A 27 -1.264 23.301 -22.562 1.00 0.00 C ATOM 354 O ALA A 27 -0.086 23.648 -22.463 1.00 0.00 O ATOM 355 CB ALA A 27 -1.971 23.249 -20.163 1.00 0.00 C ATOM 0 H ALA A 27 -0.892 21.046 -20.330 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.948 22.253 -21.783 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.493 24.193 -20.320 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.497 22.664 -19.408 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.954 23.449 -19.824 1.00 0.00 H new ATOM 361 N ARG A 28 -2.027 23.618 -23.603 1.00 0.00 N ATOM 362 CA ARG A 28 -1.512 24.408 -24.715 1.00 0.00 C ATOM 363 C ARG A 28 -1.701 25.900 -24.456 1.00 0.00 C ATOM 364 O ARG A 28 -2.495 26.296 -23.603 1.00 0.00 O ATOM 365 CB ARG A 28 -2.213 24.013 -26.016 1.00 0.00 C ATOM 366 CG ARG A 28 -1.773 22.663 -26.559 1.00 0.00 C ATOM 367 CD ARG A 28 -0.561 22.796 -27.468 1.00 0.00 C ATOM 368 NE ARG A 28 -0.931 23.219 -28.816 1.00 0.00 N ATOM 369 CZ ARG A 28 -1.594 22.449 -29.671 1.00 0.00 C ATOM 370 NH1 ARG A 28 -1.958 21.223 -29.321 1.00 0.00 N ATOM 371 NH2 ARG A 28 -1.895 22.905 -30.881 1.00 0.00 N ATOM 0 H ARG A 28 -3.004 23.340 -23.700 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.445 24.205 -24.808 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.290 23.994 -25.847 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.022 24.778 -26.769 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.536 21.996 -25.730 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.595 22.206 -27.111 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.135 23.517 -27.040 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.039 21.840 -27.518 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.666 24.157 -29.117 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.729 20.869 -28.392 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.467 20.634 -29.980 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.617 23.847 -31.155 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.404 22.313 -31.537 1.00 0.00 H new ATOM 385 N ALA A 29 -0.965 26.722 -25.197 1.00 0.00 N ATOM 386 CA ALA A 29 -1.053 28.169 -25.049 1.00 0.00 C ATOM 387 C ALA A 29 -2.042 28.764 -26.046 1.00 0.00 C ATOM 388 O ALA A 29 -2.249 28.220 -27.130 1.00 0.00 O ATOM 389 CB ALA A 29 0.320 28.801 -25.224 1.00 0.00 C ATOM 0 H ALA A 29 -0.301 26.410 -25.906 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.416 28.385 -24.044 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.240 29.882 -25.111 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.001 28.407 -24.470 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.704 28.567 -26.217 1.00 0.00 H new ATOM 395 N GLY A 30 -2.652 29.884 -25.670 1.00 0.00 N ATOM 396 CA GLY A 30 -3.613 30.534 -26.542 1.00 0.00 C ATOM 397 C GLY A 30 -4.995 29.918 -26.443 1.00 0.00 C ATOM 398 O GLY A 30 -5.940 30.396 -27.069 1.00 0.00 O ATOM 0 H GLY A 30 -2.498 30.353 -24.777 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.671 31.592 -26.288 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.264 30.472 -27.573 1.00 0.00 H new ATOM 402 N GLN A 31 -5.111 28.853 -25.656 1.00 0.00 N ATOM 403 CA GLN A 31 -6.387 28.170 -25.480 1.00 0.00 C ATOM 404 C GLN A 31 -6.842 28.232 -24.026 1.00 0.00 C ATOM 405 O GLN A 31 -6.023 28.341 -23.112 1.00 0.00 O ATOM 406 CB GLN A 31 -6.276 26.712 -25.930 1.00 0.00 C ATOM 407 CG GLN A 31 -6.443 26.524 -27.429 1.00 0.00 C ATOM 408 CD GLN A 31 -6.392 25.067 -27.844 1.00 0.00 C ATOM 409 OE1 GLN A 31 -7.418 24.387 -27.893 1.00 0.00 O ATOM 410 NE2 GLN A 31 -5.194 24.578 -28.144 1.00 0.00 N ATOM 0 H GLN A 31 -4.338 28.445 -25.131 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.129 28.677 -26.096 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.304 26.321 -25.629 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.032 26.122 -25.412 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.395 26.954 -27.741 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.659 27.074 -27.950 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.370 25.177 -28.090 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.098 23.603 -28.429 1.00 0.00 H new ATOM 419 N THR A 32 -8.153 28.162 -23.817 1.00 0.00 N ATOM 420 CA THR A 32 -8.717 28.212 -22.474 1.00 0.00 C ATOM 421 C THR A 32 -8.759 26.825 -21.843 1.00 0.00 C ATOM 422 O THR A 32 -9.460 25.935 -22.324 1.00 0.00 O ATOM 423 CB THR A 32 -10.140 28.803 -22.483 1.00 0.00 C ATOM 424 OG1 THR A 32 -10.174 29.985 -23.290 1.00 0.00 O ATOM 425 CG2 THR A 32 -10.598 29.132 -21.071 1.00 0.00 C ATOM 0 H THR A 32 -8.844 28.070 -24.561 1.00 0.00 H new ATOM 0 HA THR A 32 -8.067 28.858 -21.883 1.00 0.00 H new ATOM 0 HB THR A 32 -10.817 28.058 -22.902 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.082 30.354 -23.292 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.605 29.548 -21.103 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.599 28.224 -20.468 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.919 29.860 -20.629 1.00 0.00 H new ATOM 433 N VAL A 33 -8.004 26.648 -20.764 1.00 0.00 N ATOM 434 CA VAL A 33 -7.956 25.369 -20.066 1.00 0.00 C ATOM 435 C VAL A 33 -8.675 25.448 -18.723 1.00 0.00 C ATOM 436 O VAL A 33 -8.567 26.444 -18.008 1.00 0.00 O ATOM 437 CB VAL A 33 -6.505 24.910 -19.832 1.00 0.00 C ATOM 438 CG1 VAL A 33 -5.745 24.850 -21.148 1.00 0.00 C ATOM 439 CG2 VAL A 33 -5.807 25.835 -18.846 1.00 0.00 C ATOM 0 H VAL A 33 -7.417 27.374 -20.354 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.460 24.643 -20.703 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.524 23.907 -19.405 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.722 24.524 -20.963 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.235 24.145 -21.819 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.733 25.839 -21.607 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.783 25.496 -18.692 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.798 26.850 -19.243 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.340 25.822 -17.895 1.00 0.00 H new ATOM 449 N SER A 34 -9.409 24.391 -18.388 1.00 0.00 N ATOM 450 CA SER A 34 -10.148 24.342 -17.132 1.00 0.00 C ATOM 451 C SER A 34 -9.387 23.536 -16.084 1.00 0.00 C ATOM 452 O SER A 34 -9.117 22.350 -16.273 1.00 0.00 O ATOM 453 CB SER A 34 -11.533 23.732 -17.355 1.00 0.00 C ATOM 454 OG SER A 34 -11.566 22.963 -18.545 1.00 0.00 O ATOM 0 H SER A 34 -9.507 23.558 -18.968 1.00 0.00 H new ATOM 0 HA SER A 34 -10.263 25.362 -16.766 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.798 23.104 -16.505 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.279 24.525 -17.410 1.00 0.00 H new ATOM 0 HG SER A 34 -12.461 22.583 -18.664 1.00 0.00 H new ATOM 460 N VAL A 35 -9.045 24.189 -14.978 1.00 0.00 N ATOM 461 CA VAL A 35 -8.316 23.533 -13.899 1.00 0.00 C ATOM 462 C VAL A 35 -8.772 24.046 -12.537 1.00 0.00 C ATOM 463 O VAL A 35 -9.293 25.156 -12.422 1.00 0.00 O ATOM 464 CB VAL A 35 -6.797 23.751 -14.034 1.00 0.00 C ATOM 465 CG1 VAL A 35 -6.347 23.500 -15.465 1.00 0.00 C ATOM 466 CG2 VAL A 35 -6.418 25.154 -13.586 1.00 0.00 C ATOM 0 H VAL A 35 -9.261 25.171 -14.806 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.531 22.467 -13.974 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.286 23.038 -13.387 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.271 23.659 -15.541 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.583 22.474 -15.746 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.864 24.187 -16.135 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.341 25.290 -13.688 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.937 25.886 -14.205 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.704 25.293 -12.543 1.00 0.00 H new ATOM 476 N HIS A 36 -8.573 23.231 -11.507 1.00 0.00 N ATOM 477 CA HIS A 36 -8.962 23.602 -10.151 1.00 0.00 C ATOM 478 C HIS A 36 -7.760 24.105 -9.358 1.00 0.00 C ATOM 479 O HIS A 36 -6.700 23.478 -9.354 1.00 0.00 O ATOM 480 CB HIS A 36 -9.597 22.410 -9.435 1.00 0.00 C ATOM 481 CG HIS A 36 -11.092 22.384 -9.525 1.00 0.00 C ATOM 482 ND1 HIS A 36 -11.870 23.521 -9.464 1.00 0.00 N ATOM 483 CD2 HIS A 36 -11.953 21.350 -9.674 1.00 0.00 C ATOM 484 CE1 HIS A 36 -13.143 23.188 -9.570 1.00 0.00 C ATOM 485 NE2 HIS A 36 -13.221 21.875 -9.699 1.00 0.00 N ATOM 0 H HIS A 36 -8.144 22.309 -11.585 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.693 24.408 -10.218 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.200 21.488 -9.859 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.305 22.430 -8.385 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.691 20.306 -9.758 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -13.979 23.872 -9.554 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -14.083 21.339 -9.801 1.00 0.00 H new ATOM 493 N TYR A 37 -7.931 25.240 -8.689 1.00 0.00 N ATOM 494 CA TYR A 37 -6.858 25.828 -7.896 1.00 0.00 C ATOM 495 C TYR A 37 -7.260 25.931 -6.428 1.00 0.00 C ATOM 496 O TYR A 37 -8.409 26.234 -6.105 1.00 0.00 O ATOM 497 CB TYR A 37 -6.497 27.213 -8.435 1.00 0.00 C ATOM 498 CG TYR A 37 -7.600 28.235 -8.268 1.00 0.00 C ATOM 499 CD1 TYR A 37 -7.785 28.894 -7.059 1.00 0.00 C ATOM 500 CD2 TYR A 37 -8.456 28.540 -9.319 1.00 0.00 C ATOM 501 CE1 TYR A 37 -8.791 29.827 -6.901 1.00 0.00 C ATOM 502 CE2 TYR A 37 -9.464 29.473 -9.171 1.00 0.00 C ATOM 503 CZ TYR A 37 -9.628 30.113 -7.960 1.00 0.00 C ATOM 504 OH TYR A 37 -10.631 31.043 -7.808 1.00 0.00 O ATOM 0 H TYR A 37 -8.802 25.771 -8.680 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.987 25.178 -7.971 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.602 27.570 -7.925 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.249 27.128 -9.493 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -7.131 28.673 -6.228 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.331 28.039 -10.268 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.922 30.330 -5.954 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.120 29.700 -9.999 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.129 31.128 -8.648 1.00 0.00 H new ATOM 514 N THR A 38 -6.304 25.675 -5.540 1.00 0.00 N ATOM 515 CA THR A 38 -6.556 25.738 -4.106 1.00 0.00 C ATOM 516 C THR A 38 -5.442 26.486 -3.384 1.00 0.00 C ATOM 517 O THR A 38 -4.283 26.072 -3.412 1.00 0.00 O ATOM 518 CB THR A 38 -6.692 24.329 -3.497 1.00 0.00 C ATOM 519 OG1 THR A 38 -6.459 23.337 -4.503 1.00 0.00 O ATOM 520 CG2 THR A 38 -8.074 24.132 -2.893 1.00 0.00 C ATOM 0 H THR A 38 -5.348 25.422 -5.789 1.00 0.00 H new ATOM 0 HA THR A 38 -7.495 26.275 -3.974 1.00 0.00 H new ATOM 0 HB THR A 38 -5.949 24.225 -2.706 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.545 22.444 -4.108 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.146 23.130 -2.469 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.237 24.871 -2.108 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.831 24.254 -3.668 1.00 0.00 H new ATOM 528 N GLY A 39 -5.800 27.590 -2.735 1.00 0.00 N ATOM 529 CA GLY A 39 -4.817 28.378 -2.014 1.00 0.00 C ATOM 530 C GLY A 39 -4.666 27.937 -0.572 1.00 0.00 C ATOM 531 O GLY A 39 -5.648 27.862 0.167 1.00 0.00 O ATOM 0 H GLY A 39 -6.753 27.953 -2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.853 28.300 -2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.107 29.428 -2.041 1.00 0.00 H new ATOM 535 N TRP A 40 -3.434 27.644 -0.171 1.00 0.00 N ATOM 536 CA TRP A 40 -3.159 27.206 1.193 1.00 0.00 C ATOM 537 C TRP A 40 -2.035 28.030 1.813 1.00 0.00 C ATOM 538 O TRP A 40 -1.007 28.272 1.179 1.00 0.00 O ATOM 539 CB TRP A 40 -2.788 25.722 1.209 1.00 0.00 C ATOM 540 CG TRP A 40 -3.975 24.812 1.113 1.00 0.00 C ATOM 541 CD1 TRP A 40 -5.156 24.932 1.789 1.00 0.00 C ATOM 542 CD2 TRP A 40 -4.095 23.643 0.296 1.00 0.00 C ATOM 543 NE1 TRP A 40 -6.002 23.907 1.441 1.00 0.00 N ATOM 544 CE2 TRP A 40 -5.375 23.103 0.526 1.00 0.00 C ATOM 545 CE3 TRP A 40 -3.246 23.000 -0.608 1.00 0.00 C ATOM 546 CZ2 TRP A 40 -5.824 21.952 -0.115 1.00 0.00 C ATOM 547 CZ3 TRP A 40 -3.692 21.857 -1.244 1.00 0.00 C ATOM 548 CH2 TRP A 40 -4.972 21.343 -0.996 1.00 0.00 C ATOM 0 H TRP A 40 -2.610 27.702 -0.770 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.062 27.354 1.785 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.112 25.515 0.379 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.243 25.501 2.127 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.390 25.717 2.493 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -6.945 23.767 1.805 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.258 23.389 -0.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -6.810 21.554 0.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -3.043 21.351 -1.944 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.292 20.449 -1.510 1.00 0.00 H new ATOM 559 N LEU A 41 -2.237 28.458 3.054 1.00 0.00 N ATOM 560 CA LEU A 41 -1.240 29.256 3.760 1.00 0.00 C ATOM 561 C LEU A 41 -0.030 28.407 4.135 1.00 0.00 C ATOM 562 O LEU A 41 0.021 27.212 3.839 1.00 0.00 O ATOM 563 CB LEU A 41 -1.852 29.877 5.017 1.00 0.00 C ATOM 564 CG LEU A 41 -2.191 31.366 4.933 1.00 0.00 C ATOM 565 CD1 LEU A 41 -2.867 31.832 6.213 1.00 0.00 C ATOM 566 CD2 LEU A 41 -0.936 32.184 4.662 1.00 0.00 C ATOM 0 H LEU A 41 -3.082 28.266 3.592 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.909 30.053 3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.763 29.331 5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.159 29.729 5.845 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.884 31.516 4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.101 32.894 6.135 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.787 31.268 6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.198 31.669 7.058 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.196 33.241 4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.220 32.029 5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.493 31.868 3.718 1.00 0.00 H new ATOM 578 N THR A 42 0.943 29.030 4.792 1.00 0.00 N ATOM 579 CA THR A 42 2.153 28.332 5.210 1.00 0.00 C ATOM 580 C THR A 42 1.836 27.249 6.235 1.00 0.00 C ATOM 581 O THR A 42 2.568 26.267 6.361 1.00 0.00 O ATOM 582 CB THR A 42 3.184 29.306 5.810 1.00 0.00 C ATOM 583 OG1 THR A 42 2.623 29.976 6.944 1.00 0.00 O ATOM 584 CG2 THR A 42 3.627 30.330 4.776 1.00 0.00 C ATOM 0 H THR A 42 0.917 30.017 5.046 1.00 0.00 H new ATOM 0 HA THR A 42 2.577 27.871 4.318 1.00 0.00 H new ATOM 0 HB THR A 42 4.055 28.731 6.124 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.285 30.592 7.321 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.355 31.007 5.223 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.081 29.818 3.928 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.763 30.900 4.435 1.00 0.00 H new ATOM 592 N ASP A 43 0.742 27.434 6.965 1.00 0.00 N ATOM 593 CA ASP A 43 0.327 26.471 7.978 1.00 0.00 C ATOM 594 C ASP A 43 -0.648 25.453 7.395 1.00 0.00 C ATOM 595 O ASP A 43 -0.830 24.368 7.944 1.00 0.00 O ATOM 596 CB ASP A 43 -0.317 27.192 9.164 1.00 0.00 C ATOM 597 CG ASP A 43 -1.743 27.618 8.876 1.00 0.00 C ATOM 598 OD1 ASP A 43 -1.933 28.538 8.053 1.00 0.00 O ATOM 599 OD2 ASP A 43 -2.670 27.033 9.475 1.00 0.00 O ATOM 0 H ASP A 43 0.126 28.242 6.874 1.00 0.00 H new ATOM 0 HA ASP A 43 1.214 25.940 8.323 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.305 26.536 10.034 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.277 28.070 9.418 1.00 0.00 H new ATOM 604 N GLY A 44 -1.273 25.813 6.278 1.00 0.00 N ATOM 605 CA GLY A 44 -2.223 24.921 5.639 1.00 0.00 C ATOM 606 C GLY A 44 -3.626 25.494 5.606 1.00 0.00 C ATOM 607 O GLY A 44 -4.568 24.822 5.188 1.00 0.00 O ATOM 0 H GLY A 44 -1.138 26.706 5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.894 24.715 4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.235 23.969 6.169 1.00 0.00 H new ATOM 611 N GLN A 45 -3.765 26.739 6.050 1.00 0.00 N ATOM 612 CA GLN A 45 -5.064 27.401 6.072 1.00 0.00 C ATOM 613 C GLN A 45 -5.532 27.727 4.657 1.00 0.00 C ATOM 614 O GLN A 45 -4.851 28.433 3.913 1.00 0.00 O ATOM 615 CB GLN A 45 -4.994 28.682 6.906 1.00 0.00 C ATOM 616 CG GLN A 45 -5.375 28.479 8.364 1.00 0.00 C ATOM 617 CD GLN A 45 -6.862 28.651 8.607 1.00 0.00 C ATOM 618 OE1 GLN A 45 -7.339 29.761 8.845 1.00 0.00 O ATOM 619 NE2 GLN A 45 -7.603 27.551 8.547 1.00 0.00 N ATOM 0 H GLN A 45 -2.995 27.309 6.399 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.783 26.719 6.526 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.982 29.084 6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.655 29.429 6.467 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.072 27.481 8.679 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.825 29.189 8.982 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.165 26.652 8.347 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.610 27.605 8.701 1.00 0.00 H new ATOM 628 N LYS A 46 -6.700 27.209 4.292 1.00 0.00 N ATOM 629 CA LYS A 46 -7.261 27.445 2.967 1.00 0.00 C ATOM 630 C LYS A 46 -7.849 28.849 2.867 1.00 0.00 C ATOM 631 O LYS A 46 -8.716 29.227 3.655 1.00 0.00 O ATOM 632 CB LYS A 46 -8.340 26.406 2.655 1.00 0.00 C ATOM 633 CG LYS A 46 -8.788 26.411 1.204 1.00 0.00 C ATOM 634 CD LYS A 46 -9.347 25.060 0.788 1.00 0.00 C ATOM 635 CE LYS A 46 -10.639 24.741 1.524 1.00 0.00 C ATOM 636 NZ LYS A 46 -11.574 23.943 0.683 1.00 0.00 N ATOM 0 H LYS A 46 -7.277 26.623 4.896 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.456 27.354 2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.962 25.415 2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.204 26.589 3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.547 27.180 1.059 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.945 26.670 0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.529 25.056 -0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.610 24.282 0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.411 24.190 2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.124 25.669 1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.550 24.097 1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.488 24.240 -0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.338 22.933 0.764 1.00 0.00 H new ATOM 650 N PHE A 47 -7.372 29.617 1.894 1.00 0.00 N ATOM 651 CA PHE A 47 -7.851 30.980 1.691 1.00 0.00 C ATOM 652 C PHE A 47 -8.411 31.155 0.282 1.00 0.00 C ATOM 653 O PHE A 47 -8.625 32.277 -0.177 1.00 0.00 O ATOM 654 CB PHE A 47 -6.720 31.982 1.931 1.00 0.00 C ATOM 655 CG PHE A 47 -5.491 31.706 1.111 1.00 0.00 C ATOM 656 CD1 PHE A 47 -5.469 31.988 -0.245 1.00 0.00 C ATOM 657 CD2 PHE A 47 -4.358 31.166 1.698 1.00 0.00 C ATOM 658 CE1 PHE A 47 -4.340 31.734 -1.001 1.00 0.00 C ATOM 659 CE2 PHE A 47 -3.226 30.911 0.947 1.00 0.00 C ATOM 660 CZ PHE A 47 -3.217 31.196 -0.404 1.00 0.00 C ATOM 0 H PHE A 47 -6.654 29.319 1.233 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.651 31.168 2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.080 32.986 1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.453 31.970 2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.344 32.411 -0.717 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.359 30.942 2.754 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.336 31.956 -2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.350 30.489 1.416 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.333 30.999 -0.993 1.00 0.00 H new ATOM 670 N ASP A 48 -8.645 30.039 -0.398 1.00 0.00 N ATOM 671 CA ASP A 48 -9.181 30.068 -1.754 1.00 0.00 C ATOM 672 C ASP A 48 -9.421 28.654 -2.274 1.00 0.00 C ATOM 673 O ASP A 48 -8.508 27.829 -2.303 1.00 0.00 O ATOM 674 CB ASP A 48 -8.224 30.812 -2.687 1.00 0.00 C ATOM 675 CG ASP A 48 -8.953 31.570 -3.779 1.00 0.00 C ATOM 676 OD1 ASP A 48 -10.192 31.439 -3.867 1.00 0.00 O ATOM 677 OD2 ASP A 48 -8.285 32.296 -4.544 1.00 0.00 O ATOM 0 H ASP A 48 -8.472 29.102 -0.033 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.136 30.594 -1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.622 31.509 -2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.536 30.099 -3.141 1.00 0.00 H new ATOM 682 N SER A 49 -10.656 28.380 -2.683 1.00 0.00 N ATOM 683 CA SER A 49 -11.018 27.065 -3.197 1.00 0.00 C ATOM 684 C SER A 49 -11.952 27.188 -4.397 1.00 0.00 C ATOM 685 O SER A 49 -13.126 27.527 -4.251 1.00 0.00 O ATOM 686 CB SER A 49 -11.684 26.231 -2.101 1.00 0.00 C ATOM 687 OG SER A 49 -11.730 24.861 -2.459 1.00 0.00 O ATOM 0 H SER A 49 -11.423 29.052 -2.668 1.00 0.00 H new ATOM 0 HA SER A 49 -10.105 26.565 -3.520 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.135 26.348 -1.167 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.695 26.598 -1.924 1.00 0.00 H new ATOM 0 HG SER A 49 -12.514 24.441 -2.047 1.00 0.00 H new ATOM 693 N SER A 50 -11.421 26.910 -5.583 1.00 0.00 N ATOM 694 CA SER A 50 -12.205 26.994 -6.810 1.00 0.00 C ATOM 695 C SER A 50 -13.443 26.107 -6.724 1.00 0.00 C ATOM 696 O SER A 50 -14.440 26.344 -7.407 1.00 0.00 O ATOM 697 CB SER A 50 -11.353 26.586 -8.013 1.00 0.00 C ATOM 698 OG SER A 50 -10.655 25.379 -7.758 1.00 0.00 O ATOM 0 H SER A 50 -10.451 26.625 -5.721 1.00 0.00 H new ATOM 0 HA SER A 50 -12.528 28.027 -6.937 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.990 26.463 -8.889 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.642 27.379 -8.245 1.00 0.00 H new ATOM 0 HG SER A 50 -11.144 24.628 -8.154 1.00 0.00 H new ATOM 704 N LYS A 51 -13.372 25.082 -5.881 1.00 0.00 N ATOM 705 CA LYS A 51 -14.486 24.158 -5.704 1.00 0.00 C ATOM 706 C LYS A 51 -15.734 24.896 -5.229 1.00 0.00 C ATOM 707 O LYS A 51 -16.853 24.407 -5.386 1.00 0.00 O ATOM 708 CB LYS A 51 -14.114 23.065 -4.699 1.00 0.00 C ATOM 709 CG LYS A 51 -12.888 22.263 -5.100 1.00 0.00 C ATOM 710 CD LYS A 51 -13.162 21.398 -6.319 1.00 0.00 C ATOM 711 CE LYS A 51 -13.547 19.981 -5.921 1.00 0.00 C ATOM 712 NZ LYS A 51 -14.083 19.207 -7.075 1.00 0.00 N ATOM 0 H LYS A 51 -12.554 24.870 -5.309 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.701 23.698 -6.669 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.936 23.523 -3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.959 22.387 -4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.062 22.941 -5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.576 21.632 -4.268 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.964 21.842 -6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.276 21.371 -6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.675 19.469 -5.514 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.295 20.017 -5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.334 18.247 -6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.930 19.682 -7.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.360 19.151 -7.821 1.00 0.00 H new ATOM 726 N ASP A 52 -15.535 26.074 -4.650 1.00 0.00 N ATOM 727 CA ASP A 52 -16.644 26.880 -4.155 1.00 0.00 C ATOM 728 C ASP A 52 -17.676 27.117 -5.253 1.00 0.00 C ATOM 729 O ASP A 52 -18.878 26.970 -5.031 1.00 0.00 O ATOM 730 CB ASP A 52 -16.132 28.219 -3.621 1.00 0.00 C ATOM 731 CG ASP A 52 -16.972 28.745 -2.474 1.00 0.00 C ATOM 732 OD1 ASP A 52 -17.385 27.932 -1.621 1.00 0.00 O ATOM 733 OD2 ASP A 52 -17.216 29.969 -2.428 1.00 0.00 O ATOM 0 H ASP A 52 -14.615 26.493 -4.512 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.123 26.334 -3.343 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.100 28.104 -3.289 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.127 28.951 -4.429 1.00 0.00 H new ATOM 738 N ARG A 53 -17.199 27.486 -6.437 1.00 0.00 N ATOM 739 CA ARG A 53 -18.080 27.746 -7.569 1.00 0.00 C ATOM 740 C ARG A 53 -18.645 26.444 -8.128 1.00 0.00 C ATOM 741 O ARG A 53 -19.525 26.456 -8.988 1.00 0.00 O ATOM 742 CB ARG A 53 -17.326 28.500 -8.666 1.00 0.00 C ATOM 743 CG ARG A 53 -18.157 29.575 -9.348 1.00 0.00 C ATOM 744 CD ARG A 53 -18.555 30.673 -8.373 1.00 0.00 C ATOM 745 NE ARG A 53 -19.150 31.820 -9.054 1.00 0.00 N ATOM 746 CZ ARG A 53 -19.836 32.771 -8.429 1.00 0.00 C ATOM 747 NH1 ARG A 53 -20.010 32.713 -7.116 1.00 0.00 N ATOM 748 NH2 ARG A 53 -20.347 33.783 -9.118 1.00 0.00 N ATOM 0 H ARG A 53 -16.207 27.612 -6.637 1.00 0.00 H new ATOM 0 HA ARG A 53 -18.909 28.361 -7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -16.437 28.959 -8.234 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -16.984 27.787 -9.416 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -17.590 30.007 -10.172 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -19.053 29.126 -9.778 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -19.264 30.274 -7.648 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -17.677 30.998 -7.815 1.00 0.00 H new ATOM 0 HE ARG A 53 -19.033 31.895 -10.064 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -19.617 31.937 -6.583 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -20.537 33.444 -6.639 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -20.213 33.831 -10.128 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -20.874 34.513 -8.638 1.00 0.00 H new ATOM 762 N ASN A 54 -18.132 25.322 -7.634 1.00 0.00 N ATOM 763 CA ASN A 54 -18.585 24.011 -8.085 1.00 0.00 C ATOM 764 C ASN A 54 -18.258 23.800 -9.560 1.00 0.00 C ATOM 765 O ASN A 54 -18.828 22.927 -10.214 1.00 0.00 O ATOM 766 CB ASN A 54 -20.091 23.863 -7.859 1.00 0.00 C ATOM 767 CG ASN A 54 -20.515 24.314 -6.474 1.00 0.00 C ATOM 768 OD1 ASN A 54 -21.270 25.276 -6.327 1.00 0.00 O ATOM 769 ND2 ASN A 54 -20.030 23.620 -5.451 1.00 0.00 N ATOM 0 H ASN A 54 -17.403 25.294 -6.922 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.061 23.253 -7.503 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -20.627 24.446 -8.608 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -20.376 22.821 -8.002 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -20.280 23.877 -4.496 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -19.407 22.830 -5.620 1.00 0.00 H new ATOM 776 N ASP A 55 -17.336 24.605 -10.076 1.00 0.00 N ATOM 777 CA ASP A 55 -16.931 24.506 -11.474 1.00 0.00 C ATOM 778 C ASP A 55 -15.443 24.803 -11.631 1.00 0.00 C ATOM 779 O ASP A 55 -14.846 25.540 -10.846 1.00 0.00 O ATOM 780 CB ASP A 55 -17.749 25.471 -12.334 1.00 0.00 C ATOM 781 CG ASP A 55 -17.231 26.894 -12.260 1.00 0.00 C ATOM 782 OD1 ASP A 55 -16.198 27.184 -12.900 1.00 0.00 O ATOM 783 OD2 ASP A 55 -17.858 27.718 -11.563 1.00 0.00 O ATOM 0 H ASP A 55 -16.855 25.333 -9.548 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.117 23.486 -11.809 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.731 25.134 -13.370 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -18.790 25.449 -12.010 1.00 0.00 H new ATOM 788 N PRO A 56 -14.828 24.214 -12.667 1.00 0.00 N ATOM 789 CA PRO A 56 -13.402 24.399 -12.951 1.00 0.00 C ATOM 790 C PRO A 56 -13.086 25.809 -13.438 1.00 0.00 C ATOM 791 O PRO A 56 -13.943 26.487 -14.005 1.00 0.00 O ATOM 792 CB PRO A 56 -13.124 23.377 -14.055 1.00 0.00 C ATOM 793 CG PRO A 56 -14.441 23.171 -14.721 1.00 0.00 C ATOM 794 CD PRO A 56 -15.478 23.322 -13.642 1.00 0.00 C ATOM 0 HA PRO A 56 -12.788 24.262 -12.061 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.378 23.747 -14.758 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.738 22.444 -13.643 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -14.595 23.901 -15.515 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.496 22.184 -15.180 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.401 23.754 -14.029 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.738 22.361 -13.197 1.00 0.00 H new ATOM 802 N PHE A 57 -11.851 26.245 -13.214 1.00 0.00 N ATOM 803 CA PHE A 57 -11.423 27.575 -13.630 1.00 0.00 C ATOM 804 C PHE A 57 -10.900 27.555 -15.064 1.00 0.00 C ATOM 805 O PHE A 57 -9.800 27.071 -15.328 1.00 0.00 O ATOM 806 CB PHE A 57 -10.339 28.103 -12.688 1.00 0.00 C ATOM 807 CG PHE A 57 -9.825 29.463 -13.067 1.00 0.00 C ATOM 808 CD1 PHE A 57 -10.704 30.497 -13.345 1.00 0.00 C ATOM 809 CD2 PHE A 57 -8.463 29.707 -13.146 1.00 0.00 C ATOM 810 CE1 PHE A 57 -10.234 31.749 -13.695 1.00 0.00 C ATOM 811 CE2 PHE A 57 -7.988 30.957 -13.494 1.00 0.00 C ATOM 812 CZ PHE A 57 -8.875 31.979 -13.768 1.00 0.00 C ATOM 0 H PHE A 57 -11.129 25.697 -12.747 1.00 0.00 H new ATOM 0 HA PHE A 57 -12.288 28.237 -13.586 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -10.738 28.144 -11.675 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.506 27.400 -12.675 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.768 30.323 -13.288 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.765 28.911 -12.933 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.930 32.546 -13.911 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.924 31.134 -13.552 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.506 32.957 -14.039 1.00 0.00 H new ATOM 822 N ALA A 58 -11.699 28.082 -15.986 1.00 0.00 N ATOM 823 CA ALA A 58 -11.318 28.126 -17.392 1.00 0.00 C ATOM 824 C ALA A 58 -10.610 29.434 -17.729 1.00 0.00 C ATOM 825 O ALA A 58 -11.223 30.502 -17.725 1.00 0.00 O ATOM 826 CB ALA A 58 -12.542 27.943 -18.277 1.00 0.00 C ATOM 0 H ALA A 58 -12.614 28.484 -15.784 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.622 27.308 -17.579 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.242 27.978 -19.324 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.004 26.979 -18.064 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.258 28.741 -18.078 1.00 0.00 H new ATOM 832 N PHE A 59 -9.316 29.344 -18.018 1.00 0.00 N ATOM 833 CA PHE A 59 -8.524 30.521 -18.355 1.00 0.00 C ATOM 834 C PHE A 59 -7.600 30.235 -19.535 1.00 0.00 C ATOM 835 O PHE A 59 -7.195 29.094 -19.759 1.00 0.00 O ATOM 836 CB PHE A 59 -7.702 30.972 -17.146 1.00 0.00 C ATOM 837 CG PHE A 59 -6.524 30.087 -16.858 1.00 0.00 C ATOM 838 CD1 PHE A 59 -6.669 28.951 -16.077 1.00 0.00 C ATOM 839 CD2 PHE A 59 -5.272 30.389 -17.369 1.00 0.00 C ATOM 840 CE1 PHE A 59 -5.586 28.135 -15.810 1.00 0.00 C ATOM 841 CE2 PHE A 59 -4.186 29.576 -17.105 1.00 0.00 C ATOM 842 CZ PHE A 59 -4.343 28.447 -16.326 1.00 0.00 C ATOM 0 H PHE A 59 -8.794 28.468 -18.026 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.209 31.320 -18.638 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.349 31.989 -17.316 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.348 31.001 -16.268 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.639 28.701 -15.673 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.143 31.270 -17.981 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.711 27.254 -15.198 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.215 29.824 -17.508 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.496 27.809 -16.120 1.00 0.00 H new ATOM 852 N VAL A 60 -7.270 31.280 -20.288 1.00 0.00 N ATOM 853 CA VAL A 60 -6.393 31.143 -21.444 1.00 0.00 C ATOM 854 C VAL A 60 -4.929 31.091 -21.021 1.00 0.00 C ATOM 855 O VAL A 60 -4.422 32.017 -20.387 1.00 0.00 O ATOM 856 CB VAL A 60 -6.588 32.303 -22.438 1.00 0.00 C ATOM 857 CG1 VAL A 60 -5.645 32.157 -23.622 1.00 0.00 C ATOM 858 CG2 VAL A 60 -8.035 32.368 -22.903 1.00 0.00 C ATOM 0 H VAL A 60 -7.597 32.231 -20.118 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.660 30.206 -21.934 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.351 33.238 -21.930 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.798 32.986 -24.313 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.614 32.164 -23.269 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.847 31.216 -24.134 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.155 33.193 -23.605 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.302 31.432 -23.394 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.687 32.525 -22.043 1.00 0.00 H new ATOM 868 N LEU A 61 -4.254 30.004 -21.376 1.00 0.00 N ATOM 869 CA LEU A 61 -2.847 29.831 -21.034 1.00 0.00 C ATOM 870 C LEU A 61 -1.964 30.739 -21.884 1.00 0.00 C ATOM 871 O LEU A 61 -2.086 30.772 -23.108 1.00 0.00 O ATOM 872 CB LEU A 61 -2.431 28.371 -21.227 1.00 0.00 C ATOM 873 CG LEU A 61 -0.928 28.110 -21.331 1.00 0.00 C ATOM 874 CD1 LEU A 61 -0.191 28.763 -20.172 1.00 0.00 C ATOM 875 CD2 LEU A 61 -0.647 26.615 -21.369 1.00 0.00 C ATOM 0 H LEU A 61 -4.658 29.229 -21.901 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.717 30.105 -19.987 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.824 27.789 -20.393 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.908 27.995 -22.132 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.566 28.551 -22.260 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.877 28.566 -20.263 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.365 29.839 -20.190 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.557 28.352 -19.231 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.428 26.449 -21.443 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.024 26.151 -20.458 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.143 26.173 -22.233 1.00 0.00 H new ATOM 925 N VAL A 66 -3.033 35.651 -14.483 1.00 0.00 N ATOM 926 CA VAL A 66 -2.372 34.594 -13.728 1.00 0.00 C ATOM 927 C VAL A 66 -0.985 35.031 -13.268 1.00 0.00 C ATOM 928 O VAL A 66 -0.516 36.113 -13.621 1.00 0.00 O ATOM 929 CB VAL A 66 -2.242 33.305 -14.562 1.00 0.00 C ATOM 930 CG1 VAL A 66 -3.605 32.855 -15.065 1.00 0.00 C ATOM 931 CG2 VAL A 66 -1.279 33.516 -15.720 1.00 0.00 C ATOM 0 HA VAL A 66 -2.994 34.392 -12.856 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.840 32.518 -13.924 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.493 31.943 -15.652 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.261 32.662 -14.216 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.039 33.637 -15.688 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.199 32.596 -16.299 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.650 34.316 -16.360 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.297 33.787 -15.332 1.00 0.00 H new ATOM 941 N ILE A 67 -0.334 34.182 -12.480 1.00 0.00 N ATOM 942 CA ILE A 67 0.999 34.481 -11.974 1.00 0.00 C ATOM 943 C ILE A 67 2.054 33.625 -12.666 1.00 0.00 C ATOM 944 O ILE A 67 1.732 32.648 -13.343 1.00 0.00 O ATOM 945 CB ILE A 67 1.088 34.254 -10.453 1.00 0.00 C ATOM 946 CG1 ILE A 67 1.129 32.757 -10.140 1.00 0.00 C ATOM 947 CG2 ILE A 67 -0.087 34.916 -9.750 1.00 0.00 C ATOM 948 CD1 ILE A 67 1.129 32.449 -8.659 1.00 0.00 C ATOM 0 H ILE A 67 -0.708 33.282 -12.179 1.00 0.00 H new ATOM 0 HA ILE A 67 1.189 35.533 -12.188 1.00 0.00 H new ATOM 0 HB ILE A 67 2.009 34.708 -10.086 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.269 32.274 -10.603 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.021 32.324 -10.593 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.010 34.747 -8.676 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.074 35.987 -9.951 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.019 34.489 -10.119 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.159 31.369 -8.512 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.003 32.903 -8.193 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.225 32.852 -8.204 1.00 0.00 H new ATOM 960 N LYS A 68 3.318 33.996 -12.492 1.00 0.00 N ATOM 961 CA LYS A 68 4.423 33.262 -13.096 1.00 0.00 C ATOM 962 C LYS A 68 4.285 31.764 -12.841 1.00 0.00 C ATOM 963 O LYS A 68 4.274 30.964 -13.775 1.00 0.00 O ATOM 964 CB LYS A 68 5.759 33.763 -12.544 1.00 0.00 C ATOM 965 CG LYS A 68 6.318 34.959 -13.295 1.00 0.00 C ATOM 966 CD LYS A 68 7.303 35.742 -12.444 1.00 0.00 C ATOM 967 CE LYS A 68 6.597 36.787 -11.593 1.00 0.00 C ATOM 968 NZ LYS A 68 5.919 37.817 -12.429 1.00 0.00 N ATOM 0 H LYS A 68 3.603 34.803 -11.936 1.00 0.00 H new ATOM 0 HA LYS A 68 4.395 33.434 -14.172 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.632 34.031 -11.495 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.485 32.951 -12.580 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.812 34.619 -14.205 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.501 35.612 -13.601 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.853 35.057 -11.799 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.035 36.230 -13.088 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.863 36.298 -10.953 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.321 37.271 -10.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.839 38.703 -11.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.475 37.985 -13.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.969 37.483 -12.689 1.00 0.00 H new ATOM 982 N GLY A 69 4.179 31.393 -11.569 1.00 0.00 N ATOM 983 CA GLY A 69 4.042 29.992 -11.214 1.00 0.00 C ATOM 984 C GLY A 69 2.876 29.327 -11.918 1.00 0.00 C ATOM 985 O GLY A 69 2.891 28.119 -12.152 1.00 0.00 O ATOM 0 H GLY A 69 4.186 32.037 -10.778 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.962 29.465 -11.465 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.909 29.905 -10.136 1.00 0.00 H new ATOM 989 N TRP A 70 1.862 30.116 -12.255 1.00 0.00 N ATOM 990 CA TRP A 70 0.682 29.596 -12.935 1.00 0.00 C ATOM 991 C TRP A 70 1.005 29.221 -14.377 1.00 0.00 C ATOM 992 O TRP A 70 0.838 28.070 -14.782 1.00 0.00 O ATOM 993 CB TRP A 70 -0.446 30.628 -12.904 1.00 0.00 C ATOM 994 CG TRP A 70 -1.668 30.152 -12.178 1.00 0.00 C ATOM 995 CD1 TRP A 70 -2.880 29.847 -12.727 1.00 0.00 C ATOM 996 CD2 TRP A 70 -1.795 29.929 -10.770 1.00 0.00 C ATOM 997 NE1 TRP A 70 -3.754 29.447 -11.744 1.00 0.00 N ATOM 998 CE2 TRP A 70 -3.112 29.488 -10.535 1.00 0.00 C ATOM 999 CE3 TRP A 70 -0.924 30.057 -9.684 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -3.576 29.176 -9.260 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -1.386 29.747 -8.419 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -2.702 29.311 -8.216 1.00 0.00 C ATOM 0 H TRP A 70 1.834 31.118 -12.068 1.00 0.00 H new ATOM 0 HA TRP A 70 0.358 28.698 -12.410 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.082 31.539 -12.429 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -0.718 30.889 -13.927 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.117 29.911 -13.779 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.723 29.165 -11.891 1.00 0.00 H new ATOM 0 HE3 TRP A 70 0.092 30.392 -9.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -4.590 28.839 -9.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.722 29.842 -7.573 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -3.033 29.077 -7.215 1.00 0.00 H new ATOM 1013 N ASP A 71 1.470 30.198 -15.148 1.00 0.00 N ATOM 1014 CA ASP A 71 1.818 29.970 -16.545 1.00 0.00 C ATOM 1015 C ASP A 71 2.806 28.815 -16.677 1.00 0.00 C ATOM 1016 O ASP A 71 2.634 27.932 -17.516 1.00 0.00 O ATOM 1017 CB ASP A 71 2.412 31.239 -17.159 1.00 0.00 C ATOM 1018 CG ASP A 71 1.355 32.276 -17.482 1.00 0.00 C ATOM 1019 OD1 ASP A 71 0.372 31.927 -18.171 1.00 0.00 O ATOM 1020 OD2 ASP A 71 1.509 33.435 -17.045 1.00 0.00 O ATOM 0 H ASP A 71 1.615 31.156 -14.829 1.00 0.00 H new ATOM 0 HA ASP A 71 0.907 29.708 -17.083 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.138 31.668 -16.468 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.953 30.980 -18.069 1.00 0.00 H new ATOM 1025 N GLU A 72 3.842 28.831 -15.844 1.00 0.00 N ATOM 1026 CA GLU A 72 4.858 27.786 -15.869 1.00 0.00 C ATOM 1027 C GLU A 72 4.261 26.437 -15.480 1.00 0.00 C ATOM 1028 O GLU A 72 4.560 25.413 -16.094 1.00 0.00 O ATOM 1029 CB GLU A 72 6.008 28.139 -14.923 1.00 0.00 C ATOM 1030 CG GLU A 72 7.380 28.041 -15.569 1.00 0.00 C ATOM 1031 CD GLU A 72 7.815 26.607 -15.801 1.00 0.00 C ATOM 1032 OE1 GLU A 72 7.400 26.020 -16.822 1.00 0.00 O ATOM 1033 OE2 GLU A 72 8.569 26.072 -14.962 1.00 0.00 O ATOM 0 H GLU A 72 3.999 29.556 -15.144 1.00 0.00 H new ATOM 0 HA GLU A 72 5.243 27.714 -16.886 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.863 29.153 -14.551 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.974 27.475 -14.060 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.368 28.571 -16.521 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.112 28.541 -14.935 1.00 0.00 H new ATOM 1040 N GLY A 73 3.415 26.444 -14.455 1.00 0.00 N ATOM 1041 CA GLY A 73 2.789 25.216 -14.001 1.00 0.00 C ATOM 1042 C GLY A 73 1.964 24.550 -15.084 1.00 0.00 C ATOM 1043 O GLY A 73 2.213 23.400 -15.446 1.00 0.00 O ATOM 0 H GLY A 73 3.152 27.278 -13.931 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.559 24.525 -13.658 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.151 25.432 -13.144 1.00 0.00 H new ATOM 1047 N VAL A 74 0.977 25.274 -15.603 1.00 0.00 N ATOM 1048 CA VAL A 74 0.112 24.747 -16.651 1.00 0.00 C ATOM 1049 C VAL A 74 0.889 24.519 -17.943 1.00 0.00 C ATOM 1050 O VAL A 74 0.520 23.676 -18.760 1.00 0.00 O ATOM 1051 CB VAL A 74 -1.068 25.696 -16.935 1.00 0.00 C ATOM 1052 CG1 VAL A 74 -2.060 25.674 -15.783 1.00 0.00 C ATOM 1053 CG2 VAL A 74 -0.565 27.109 -17.190 1.00 0.00 C ATOM 0 H VAL A 74 0.757 26.227 -15.314 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.276 23.794 -16.291 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.582 25.351 -17.832 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.886 26.350 -16.002 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.444 24.662 -15.653 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.562 25.994 -14.868 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.412 27.766 -17.389 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.026 27.467 -16.313 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.103 27.107 -18.051 1.00 0.00 H new ATOM 1063 N GLN A 75 1.967 25.277 -18.119 1.00 0.00 N ATOM 1064 CA GLN A 75 2.797 25.157 -19.313 1.00 0.00 C ATOM 1065 C GLN A 75 3.227 23.711 -19.534 1.00 0.00 C ATOM 1066 O GLN A 75 3.477 23.293 -20.664 1.00 0.00 O ATOM 1067 CB GLN A 75 4.029 26.056 -19.195 1.00 0.00 C ATOM 1068 CG GLN A 75 3.939 27.324 -20.028 1.00 0.00 C ATOM 1069 CD GLN A 75 4.087 27.059 -21.513 1.00 0.00 C ATOM 1070 OE1 GLN A 75 4.724 26.088 -21.921 1.00 0.00 O ATOM 1071 NE2 GLN A 75 3.499 27.924 -22.331 1.00 0.00 N ATOM 0 H GLN A 75 2.286 25.979 -17.452 1.00 0.00 H new ATOM 0 HA GLN A 75 2.204 25.475 -20.171 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.171 26.328 -18.149 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.910 25.492 -19.501 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.980 27.808 -19.843 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.714 28.020 -19.708 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.981 28.715 -21.949 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.566 27.797 -23.341 1.00 0.00 H new ATOM 1080 N GLY A 76 3.311 22.950 -18.447 1.00 0.00 N ATOM 1081 CA GLY A 76 3.711 21.559 -18.544 1.00 0.00 C ATOM 1082 C GLY A 76 2.655 20.613 -18.008 1.00 0.00 C ATOM 1083 O GLY A 76 2.650 19.427 -18.337 1.00 0.00 O ATOM 0 H GLY A 76 3.109 23.273 -17.501 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.917 21.315 -19.586 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.640 21.412 -17.993 1.00 0.00 H new ATOM 1087 N MET A 77 1.759 21.137 -17.178 1.00 0.00 N ATOM 1088 CA MET A 77 0.694 20.330 -16.595 1.00 0.00 C ATOM 1089 C MET A 77 -0.056 19.557 -17.676 1.00 0.00 C ATOM 1090 O MET A 77 -0.106 19.977 -18.832 1.00 0.00 O ATOM 1091 CB MET A 77 -0.280 21.217 -15.818 1.00 0.00 C ATOM 1092 CG MET A 77 -1.367 20.438 -15.095 1.00 0.00 C ATOM 1093 SD MET A 77 -0.704 19.291 -13.872 1.00 0.00 S ATOM 1094 CE MET A 77 -1.370 19.985 -12.361 1.00 0.00 C ATOM 0 H MET A 77 1.749 22.117 -16.894 1.00 0.00 H new ATOM 0 HA MET A 77 1.148 19.614 -15.910 1.00 0.00 H new ATOM 0 HB2 MET A 77 0.279 21.806 -15.090 1.00 0.00 H new ATOM 0 HB3 MET A 77 -0.746 21.921 -16.507 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.043 21.137 -14.603 1.00 0.00 H new ATOM 0 HG3 MET A 77 -1.958 19.884 -15.824 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.263 19.263 -11.551 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.828 20.896 -12.109 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.425 20.218 -12.502 1.00 0.00 H new ATOM 1104 N LYS A 78 -0.638 18.426 -17.292 1.00 0.00 N ATOM 1105 CA LYS A 78 -1.386 17.594 -18.227 1.00 0.00 C ATOM 1106 C LYS A 78 -2.801 17.340 -17.717 1.00 0.00 C ATOM 1107 O LYS A 78 -3.039 17.305 -16.510 1.00 0.00 O ATOM 1108 CB LYS A 78 -0.665 16.263 -18.448 1.00 0.00 C ATOM 1109 CG LYS A 78 0.728 16.415 -19.033 1.00 0.00 C ATOM 1110 CD LYS A 78 1.336 15.068 -19.385 1.00 0.00 C ATOM 1111 CE LYS A 78 2.855 15.107 -19.321 1.00 0.00 C ATOM 1112 NZ LYS A 78 3.477 14.215 -20.338 1.00 0.00 N ATOM 0 H LYS A 78 -0.606 18.064 -16.339 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.451 18.126 -19.176 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.595 15.735 -17.497 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.264 15.641 -19.114 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.682 17.039 -19.926 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.370 16.929 -18.317 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.961 14.308 -18.699 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.021 14.776 -20.387 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.199 16.130 -19.476 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.184 14.808 -18.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.513 14.270 -20.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.170 13.235 -20.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.184 14.516 -21.289 1.00 0.00 H new ATOM 1126 N VAL A 79 -3.736 17.161 -18.644 1.00 0.00 N ATOM 1127 CA VAL A 79 -5.127 16.907 -18.288 1.00 0.00 C ATOM 1128 C VAL A 79 -5.239 15.749 -17.302 1.00 0.00 C ATOM 1129 O VAL A 79 -4.719 14.661 -17.545 1.00 0.00 O ATOM 1130 CB VAL A 79 -5.977 16.591 -19.533 1.00 0.00 C ATOM 1131 CG1 VAL A 79 -7.424 16.335 -19.141 1.00 0.00 C ATOM 1132 CG2 VAL A 79 -5.882 17.723 -20.544 1.00 0.00 C ATOM 0 H VAL A 79 -3.556 17.187 -19.648 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.505 17.816 -17.821 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.586 15.686 -19.998 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.009 16.114 -20.034 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.471 15.488 -18.457 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.830 17.220 -18.651 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.489 17.483 -21.417 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.246 18.646 -20.092 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.843 17.853 -20.848 1.00 0.00 H new ATOM 1142 N GLY A 80 -5.924 15.992 -16.188 1.00 0.00 N ATOM 1143 CA GLY A 80 -6.093 14.960 -15.182 1.00 0.00 C ATOM 1144 C GLY A 80 -4.917 14.882 -14.228 1.00 0.00 C ATOM 1145 O GLY A 80 -4.899 14.052 -13.321 1.00 0.00 O ATOM 0 H GLY A 80 -6.364 16.885 -15.965 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.004 15.155 -14.616 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.223 13.996 -15.673 1.00 0.00 H new ATOM 1149 N GLY A 81 -3.930 15.749 -14.435 1.00 0.00 N ATOM 1150 CA GLY A 81 -2.758 15.757 -13.580 1.00 0.00 C ATOM 1151 C GLY A 81 -2.887 16.736 -12.429 1.00 0.00 C ATOM 1152 O GLY A 81 -3.327 17.870 -12.616 1.00 0.00 O ATOM 0 H GLY A 81 -3.922 16.446 -15.180 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.594 14.755 -13.184 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.880 16.013 -14.174 1.00 0.00 H new ATOM 1156 N VAL A 82 -2.503 16.296 -11.235 1.00 0.00 N ATOM 1157 CA VAL A 82 -2.578 17.141 -10.049 1.00 0.00 C ATOM 1158 C VAL A 82 -1.204 17.314 -9.410 1.00 0.00 C ATOM 1159 O VAL A 82 -0.509 16.337 -9.135 1.00 0.00 O ATOM 1160 CB VAL A 82 -3.548 16.558 -9.005 1.00 0.00 C ATOM 1161 CG1 VAL A 82 -3.698 17.507 -7.826 1.00 0.00 C ATOM 1162 CG2 VAL A 82 -4.899 16.264 -9.639 1.00 0.00 C ATOM 0 H VAL A 82 -2.137 15.360 -11.063 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.949 18.113 -10.375 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.134 15.620 -8.635 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.387 17.078 -7.099 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.726 17.662 -7.357 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.088 18.463 -8.176 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.572 15.853 -8.887 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.322 17.186 -10.039 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.773 15.543 -10.446 1.00 0.00 H new ATOM 1172 N ARG A 83 -0.820 18.565 -9.177 1.00 0.00 N ATOM 1173 CA ARG A 83 0.471 18.867 -8.571 1.00 0.00 C ATOM 1174 C ARG A 83 0.382 20.113 -7.694 1.00 0.00 C ATOM 1175 O ARG A 83 -0.305 21.076 -8.035 1.00 0.00 O ATOM 1176 CB ARG A 83 1.533 19.067 -9.654 1.00 0.00 C ATOM 1177 CG ARG A 83 1.484 20.438 -10.308 1.00 0.00 C ATOM 1178 CD ARG A 83 2.454 20.533 -11.475 1.00 0.00 C ATOM 1179 NE ARG A 83 2.241 19.469 -12.452 1.00 0.00 N ATOM 1180 CZ ARG A 83 2.994 19.303 -13.534 1.00 0.00 C ATOM 1181 NH1 ARG A 83 4.004 20.127 -13.776 1.00 0.00 N ATOM 1182 NH2 ARG A 83 2.738 18.310 -14.376 1.00 0.00 N ATOM 0 H ARG A 83 -1.384 19.385 -9.399 1.00 0.00 H new ATOM 0 HA ARG A 83 0.756 18.022 -7.944 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.520 18.918 -9.216 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.406 18.303 -10.421 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.471 20.640 -10.658 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.725 21.203 -9.570 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.340 21.501 -11.963 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.477 20.483 -11.101 1.00 0.00 H new ATOM 0 HE ARG A 83 1.472 18.817 -12.295 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.205 20.891 -13.131 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.580 19.997 -14.607 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.962 17.673 -14.193 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.317 18.183 -15.206 1.00 0.00 H new ATOM 1196 N ARG A 84 1.081 20.086 -6.564 1.00 0.00 N ATOM 1197 CA ARG A 84 1.080 21.212 -5.638 1.00 0.00 C ATOM 1198 C ARG A 84 2.154 22.228 -6.016 1.00 0.00 C ATOM 1199 O ARG A 84 3.343 22.005 -5.786 1.00 0.00 O ATOM 1200 CB ARG A 84 1.307 20.723 -4.207 1.00 0.00 C ATOM 1201 CG ARG A 84 0.979 21.763 -3.148 1.00 0.00 C ATOM 1202 CD ARG A 84 0.665 21.115 -1.809 1.00 0.00 C ATOM 1203 NE ARG A 84 1.874 20.673 -1.118 1.00 0.00 N ATOM 1204 CZ ARG A 84 1.890 20.264 0.146 1.00 0.00 C ATOM 1205 NH1 ARG A 84 0.768 20.239 0.852 1.00 0.00 N ATOM 1206 NH2 ARG A 84 3.030 19.877 0.704 1.00 0.00 N ATOM 0 H ARG A 84 1.655 19.297 -6.268 1.00 0.00 H new ATOM 0 HA ARG A 84 0.107 21.699 -5.698 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.697 19.836 -4.034 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.348 20.420 -4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.821 22.446 -3.034 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.127 22.359 -3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.127 21.824 -1.180 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.004 20.262 -1.965 1.00 0.00 H new ATOM 0 HE ARG A 84 2.754 20.679 -1.634 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.110 20.534 0.425 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.783 19.925 1.822 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.894 19.893 0.163 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.042 19.563 1.674 1.00 0.00 H new ATOM 1220 N LEU A 85 1.727 23.344 -6.597 1.00 0.00 N ATOM 1221 CA LEU A 85 2.651 24.395 -7.008 1.00 0.00 C ATOM 1222 C LEU A 85 2.937 25.350 -5.854 1.00 0.00 C ATOM 1223 O LEU A 85 2.021 25.936 -5.276 1.00 0.00 O ATOM 1224 CB LEU A 85 2.078 25.169 -8.196 1.00 0.00 C ATOM 1225 CG LEU A 85 2.975 26.261 -8.781 1.00 0.00 C ATOM 1226 CD1 LEU A 85 3.714 25.745 -10.007 1.00 0.00 C ATOM 1227 CD2 LEU A 85 2.156 27.495 -9.130 1.00 0.00 C ATOM 0 H LEU A 85 0.746 23.544 -6.794 1.00 0.00 H new ATOM 0 HA LEU A 85 3.588 23.925 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.842 24.458 -8.988 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.138 25.626 -7.887 1.00 0.00 H new ATOM 0 HG LEU A 85 3.712 26.540 -8.028 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.347 26.536 -10.410 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.332 24.892 -9.727 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.993 25.437 -10.764 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.811 28.261 -9.545 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.396 27.231 -9.865 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.674 27.878 -8.231 1.00 0.00 H new ATOM 1239 N THR A 86 4.215 25.505 -5.523 1.00 0.00 N ATOM 1240 CA THR A 86 4.623 26.390 -4.439 1.00 0.00 C ATOM 1241 C THR A 86 5.177 27.703 -4.980 1.00 0.00 C ATOM 1242 O THR A 86 6.184 27.717 -5.689 1.00 0.00 O ATOM 1243 CB THR A 86 5.686 25.728 -3.543 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.604 24.303 -3.657 1.00 0.00 O ATOM 1245 CG2 THR A 86 5.499 26.137 -2.089 1.00 0.00 C ATOM 0 H THR A 86 4.986 25.029 -5.991 1.00 0.00 H new ATOM 0 HA THR A 86 3.732 26.592 -3.844 1.00 0.00 H new ATOM 0 HB THR A 86 6.669 26.063 -3.875 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.284 23.889 -3.086 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.261 25.657 -1.475 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.591 27.220 -2.001 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.511 25.828 -1.748 1.00 0.00 H new ATOM 1253 N ILE A 87 4.515 28.804 -4.641 1.00 0.00 N ATOM 1254 CA ILE A 87 4.944 30.122 -5.091 1.00 0.00 C ATOM 1255 C ILE A 87 5.500 30.945 -3.934 1.00 0.00 C ATOM 1256 O ILE A 87 4.895 31.049 -2.866 1.00 0.00 O ATOM 1257 CB ILE A 87 3.786 30.897 -5.747 1.00 0.00 C ATOM 1258 CG1 ILE A 87 3.064 30.013 -6.766 1.00 0.00 C ATOM 1259 CG2 ILE A 87 4.305 32.164 -6.410 1.00 0.00 C ATOM 1260 CD1 ILE A 87 1.782 29.406 -6.240 1.00 0.00 C ATOM 0 H ILE A 87 3.679 28.809 -4.056 1.00 0.00 H new ATOM 0 HA ILE A 87 5.729 29.962 -5.830 1.00 0.00 H new ATOM 0 HB ILE A 87 3.074 31.181 -4.972 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.839 30.605 -7.653 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.734 29.212 -7.079 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.475 32.701 -6.869 1.00 0.00 H new ATOM 0 HG22 ILE A 87 4.778 32.799 -5.661 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.035 31.901 -7.176 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.325 28.792 -7.016 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.003 28.787 -5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.094 30.201 -5.954 1.00 0.00 H new ATOM 1272 N PRO A 88 6.680 31.546 -4.148 1.00 0.00 N ATOM 1273 CA PRO A 88 7.343 32.372 -3.135 1.00 0.00 C ATOM 1274 C PRO A 88 6.608 33.685 -2.887 1.00 0.00 C ATOM 1275 O PRO A 88 5.678 34.050 -3.606 1.00 0.00 O ATOM 1276 CB PRO A 88 8.722 32.639 -3.743 1.00 0.00 C ATOM 1277 CG PRO A 88 8.520 32.513 -5.213 1.00 0.00 C ATOM 1278 CD PRO A 88 7.456 31.466 -5.397 1.00 0.00 C ATOM 0 HA PRO A 88 7.378 31.877 -2.164 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.086 33.631 -3.477 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.459 31.922 -3.382 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.211 33.464 -5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.445 32.221 -5.710 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.836 31.672 -6.269 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.887 30.475 -5.539 1.00 0.00 H new ATOM 1286 N PRO A 89 7.033 34.414 -1.844 1.00 0.00 N ATOM 1287 CA PRO A 89 6.429 35.698 -1.477 1.00 0.00 C ATOM 1288 C PRO A 89 6.735 36.794 -2.492 1.00 0.00 C ATOM 1289 O PRO A 89 6.218 37.906 -2.393 1.00 0.00 O ATOM 1290 CB PRO A 89 7.078 36.022 -0.128 1.00 0.00 C ATOM 1291 CG PRO A 89 8.377 35.293 -0.148 1.00 0.00 C ATOM 1292 CD PRO A 89 8.136 34.040 -0.943 1.00 0.00 C ATOM 0 HA PRO A 89 5.341 35.641 -1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.228 37.095 -0.008 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.452 35.693 0.702 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.158 35.901 -0.604 1.00 0.00 H new ATOM 0 HG3 PRO A 89 8.707 35.056 0.863 1.00 0.00 H new ATOM 0 HD2 PRO A 89 9.024 33.740 -1.499 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.864 33.203 -0.301 1.00 0.00 H new ATOM 1300 N GLN A 90 7.578 36.471 -3.468 1.00 0.00 N ATOM 1301 CA GLN A 90 7.953 37.429 -4.501 1.00 0.00 C ATOM 1302 C GLN A 90 7.166 37.182 -5.784 1.00 0.00 C ATOM 1303 O GLN A 90 6.736 38.123 -6.452 1.00 0.00 O ATOM 1304 CB GLN A 90 9.453 37.345 -4.785 1.00 0.00 C ATOM 1305 CG GLN A 90 10.320 37.764 -3.609 1.00 0.00 C ATOM 1306 CD GLN A 90 10.290 39.260 -3.366 1.00 0.00 C ATOM 1307 OE1 GLN A 90 9.891 40.034 -4.236 1.00 0.00 O ATOM 1308 NE2 GLN A 90 10.714 39.676 -2.178 1.00 0.00 N ATOM 0 H GLN A 90 8.014 35.554 -3.565 1.00 0.00 H new ATOM 0 HA GLN A 90 7.715 38.429 -4.137 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.704 36.322 -5.065 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.688 37.976 -5.642 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.982 37.247 -2.711 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.348 37.450 -3.790 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.036 39.000 -1.486 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.717 40.672 -1.958 1.00 0.00 H new ATOM 1317 N LEU A 91 6.980 35.911 -6.122 1.00 0.00 N ATOM 1318 CA LEU A 91 6.245 35.539 -7.326 1.00 0.00 C ATOM 1319 C LEU A 91 4.770 35.307 -7.013 1.00 0.00 C ATOM 1320 O LEU A 91 4.048 34.693 -7.797 1.00 0.00 O ATOM 1321 CB LEU A 91 6.850 34.279 -7.949 1.00 0.00 C ATOM 1322 CG LEU A 91 8.367 34.288 -8.141 1.00 0.00 C ATOM 1323 CD1 LEU A 91 8.851 32.931 -8.628 1.00 0.00 C ATOM 1324 CD2 LEU A 91 8.775 35.383 -9.116 1.00 0.00 C ATOM 0 H LEU A 91 7.328 35.120 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 91 6.322 36.361 -8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.588 33.426 -7.323 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.382 34.117 -8.920 1.00 0.00 H new ATOM 0 HG LEU A 91 8.835 34.494 -7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.933 32.956 -8.759 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.592 32.168 -7.894 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.376 32.695 -9.580 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.858 35.374 -9.240 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.298 35.208 -10.080 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.462 36.352 -8.727 1.00 0.00 H new ATOM 1336 N GLY A 92 4.329 35.804 -5.861 1.00 0.00 N ATOM 1337 CA GLY A 92 2.942 35.643 -5.466 1.00 0.00 C ATOM 1338 C GLY A 92 2.239 36.970 -5.263 1.00 0.00 C ATOM 1339 O GLY A 92 1.869 37.639 -6.228 1.00 0.00 O ATOM 0 H GLY A 92 4.908 36.315 -5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.415 35.069 -6.228 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.895 35.066 -4.543 1.00 0.00 H new ATOM 1513 N ALA A 106 6.750 34.999 3.151 1.00 0.00 N ATOM 1514 CA ALA A 106 6.187 33.687 3.449 1.00 0.00 C ATOM 1515 C ALA A 106 6.009 32.865 2.177 1.00 0.00 C ATOM 1516 O ALA A 106 6.007 33.406 1.070 1.00 0.00 O ATOM 1517 CB ALA A 106 4.857 33.836 4.174 1.00 0.00 C ATOM 0 HA ALA A 106 6.885 33.158 4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.448 32.849 4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.010 34.378 5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 106 4.159 34.388 3.544 1.00 0.00 H new ATOM 1523 N THR A 107 5.859 31.554 2.341 1.00 0.00 N ATOM 1524 CA THR A 107 5.682 30.657 1.206 1.00 0.00 C ATOM 1525 C THR A 107 4.209 30.333 0.986 1.00 0.00 C ATOM 1526 O THR A 107 3.513 29.901 1.906 1.00 0.00 O ATOM 1527 CB THR A 107 6.461 29.343 1.402 1.00 0.00 C ATOM 1528 OG1 THR A 107 7.860 29.618 1.534 1.00 0.00 O ATOM 1529 CG2 THR A 107 6.232 28.399 0.232 1.00 0.00 C ATOM 0 H THR A 107 5.857 31.090 3.249 1.00 0.00 H new ATOM 0 HA THR A 107 6.072 31.175 0.330 1.00 0.00 H new ATOM 0 HB THR A 107 6.099 28.863 2.311 1.00 0.00 H new ATOM 0 HG1 THR A 107 8.348 28.778 1.660 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.792 27.478 0.393 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.170 28.169 0.153 1.00 0.00 H new ATOM 0 HG23 THR A 107 6.570 28.873 -0.690 1.00 0.00 H new ATOM 1537 N LEU A 108 3.738 30.544 -0.238 1.00 0.00 N ATOM 1538 CA LEU A 108 2.346 30.273 -0.580 1.00 0.00 C ATOM 1539 C LEU A 108 2.203 28.903 -1.235 1.00 0.00 C ATOM 1540 O LEU A 108 2.833 28.622 -2.254 1.00 0.00 O ATOM 1541 CB LEU A 108 1.810 31.357 -1.516 1.00 0.00 C ATOM 1542 CG LEU A 108 2.417 32.751 -1.347 1.00 0.00 C ATOM 1543 CD1 LEU A 108 1.750 33.741 -2.288 1.00 0.00 C ATOM 1544 CD2 LEU A 108 2.291 33.216 0.096 1.00 0.00 C ATOM 0 H LEU A 108 4.300 30.902 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 108 1.764 30.277 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.973 31.034 -2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.732 31.432 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 108 3.476 32.698 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.195 34.727 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.893 33.416 -3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.684 33.791 -2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.728 34.209 0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.238 33.252 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.816 32.520 0.750 1.00 0.00 H new ATOM 1556 N VAL A 109 1.368 28.055 -0.643 1.00 0.00 N ATOM 1557 CA VAL A 109 1.138 26.715 -1.171 1.00 0.00 C ATOM 1558 C VAL A 109 -0.156 26.655 -1.974 1.00 0.00 C ATOM 1559 O VAL A 109 -1.251 26.717 -1.414 1.00 0.00 O ATOM 1560 CB VAL A 109 1.077 25.670 -0.041 1.00 0.00 C ATOM 1561 CG1 VAL A 109 0.822 24.282 -0.611 1.00 0.00 C ATOM 1562 CG2 VAL A 109 2.361 25.692 0.774 1.00 0.00 C ATOM 0 H VAL A 109 0.840 28.272 0.202 1.00 0.00 H new ATOM 0 HA VAL A 109 1.979 26.484 -1.825 1.00 0.00 H new ATOM 0 HB VAL A 109 0.249 25.923 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.782 23.557 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.126 24.278 -1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.628 24.016 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.301 24.948 1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.207 25.464 0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.496 26.680 1.213 1.00 0.00 H new ATOM 1572 N PHE A 110 -0.024 26.534 -3.291 1.00 0.00 N ATOM 1573 CA PHE A 110 -1.183 26.466 -4.173 1.00 0.00 C ATOM 1574 C PHE A 110 -1.236 25.125 -4.899 1.00 0.00 C ATOM 1575 O PHE A 110 -0.233 24.661 -5.440 1.00 0.00 O ATOM 1576 CB PHE A 110 -1.145 27.608 -5.189 1.00 0.00 C ATOM 1577 CG PHE A 110 -1.552 28.935 -4.615 1.00 0.00 C ATOM 1578 CD1 PHE A 110 -0.609 29.778 -4.049 1.00 0.00 C ATOM 1579 CD2 PHE A 110 -2.877 29.339 -4.641 1.00 0.00 C ATOM 1580 CE1 PHE A 110 -0.980 31.000 -3.520 1.00 0.00 C ATOM 1581 CE2 PHE A 110 -3.254 30.560 -4.114 1.00 0.00 C ATOM 1582 CZ PHE A 110 -2.305 31.391 -3.552 1.00 0.00 C ATOM 0 H PHE A 110 0.875 26.481 -3.771 1.00 0.00 H new ATOM 0 HA PHE A 110 -2.080 26.563 -3.561 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -0.136 27.690 -5.594 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -1.804 27.364 -6.022 1.00 0.00 H new ATOM 0 HD1 PHE A 110 0.428 29.477 -4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -3.624 28.693 -5.078 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.235 31.648 -3.082 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -4.290 30.864 -4.142 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.598 32.345 -3.138 1.00 0.00 H new ATOM 1592 N GLU A 111 -2.414 24.508 -4.907 1.00 0.00 N ATOM 1593 CA GLU A 111 -2.597 23.220 -5.566 1.00 0.00 C ATOM 1594 C GLU A 111 -3.358 23.384 -6.878 1.00 0.00 C ATOM 1595 O GLU A 111 -4.464 23.925 -6.905 1.00 0.00 O ATOM 1596 CB GLU A 111 -3.346 22.254 -4.646 1.00 0.00 C ATOM 1597 CG GLU A 111 -2.954 20.799 -4.842 1.00 0.00 C ATOM 1598 CD GLU A 111 -3.898 19.841 -4.143 1.00 0.00 C ATOM 1599 OE1 GLU A 111 -5.120 19.930 -4.385 1.00 0.00 O ATOM 1600 OE2 GLU A 111 -3.415 19.002 -3.354 1.00 0.00 O ATOM 0 H GLU A 111 -3.255 24.879 -4.465 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.612 22.810 -5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.160 22.535 -3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.417 22.359 -4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.936 20.572 -5.908 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -1.942 20.645 -4.466 1.00 0.00 H new ATOM 1607 N VAL A 112 -2.757 22.913 -7.966 1.00 0.00 N ATOM 1608 CA VAL A 112 -3.377 23.006 -9.283 1.00 0.00 C ATOM 1609 C VAL A 112 -3.581 21.624 -9.893 1.00 0.00 C ATOM 1610 O VAL A 112 -2.661 20.807 -9.925 1.00 0.00 O ATOM 1611 CB VAL A 112 -2.529 23.859 -10.244 1.00 0.00 C ATOM 1612 CG1 VAL A 112 -3.252 24.051 -11.568 1.00 0.00 C ATOM 1613 CG2 VAL A 112 -2.194 25.201 -9.610 1.00 0.00 C ATOM 0 H VAL A 112 -1.842 22.463 -7.962 1.00 0.00 H new ATOM 0 HA VAL A 112 -4.346 23.485 -9.143 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.595 23.333 -10.441 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.637 24.656 -12.234 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.435 23.079 -12.027 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -4.203 24.555 -11.394 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -1.594 25.791 -10.303 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.116 25.736 -9.382 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -1.631 25.039 -8.691 1.00 0.00 H new ATOM 1623 N GLU A 113 -4.793 21.369 -10.377 1.00 0.00 N ATOM 1624 CA GLU A 113 -5.117 20.085 -10.986 1.00 0.00 C ATOM 1625 C GLU A 113 -5.849 20.281 -12.311 1.00 0.00 C ATOM 1626 O GLU A 113 -6.933 20.863 -12.355 1.00 0.00 O ATOM 1627 CB GLU A 113 -5.975 19.247 -10.036 1.00 0.00 C ATOM 1628 CG GLU A 113 -7.196 19.982 -9.510 1.00 0.00 C ATOM 1629 CD GLU A 113 -7.832 19.282 -8.325 1.00 0.00 C ATOM 1630 OE1 GLU A 113 -8.635 18.352 -8.547 1.00 0.00 O ATOM 1631 OE2 GLU A 113 -7.528 19.665 -7.176 1.00 0.00 O ATOM 0 H GLU A 113 -5.566 22.035 -10.359 1.00 0.00 H new ATOM 0 HA GLU A 113 -4.183 19.558 -11.181 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -6.300 18.345 -10.554 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.362 18.928 -9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.910 20.993 -9.219 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -7.931 20.076 -10.309 1.00 0.00 H new ATOM 1638 N LEU A 114 -5.248 19.790 -13.390 1.00 0.00 N ATOM 1639 CA LEU A 114 -5.842 19.911 -14.717 1.00 0.00 C ATOM 1640 C LEU A 114 -7.129 19.098 -14.814 1.00 0.00 C ATOM 1641 O LEU A 114 -7.150 17.908 -14.499 1.00 0.00 O ATOM 1642 CB LEU A 114 -4.850 19.445 -15.785 1.00 0.00 C ATOM 1643 CG LEU A 114 -4.896 20.195 -17.117 1.00 0.00 C ATOM 1644 CD1 LEU A 114 -6.326 20.285 -17.629 1.00 0.00 C ATOM 1645 CD2 LEU A 114 -4.292 21.583 -16.969 1.00 0.00 C ATOM 0 H LEU A 114 -4.351 19.305 -13.372 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.083 20.960 -14.886 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.842 19.530 -15.378 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.027 18.387 -15.980 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.305 19.640 -17.845 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -6.340 20.822 -18.578 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.724 19.281 -17.775 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.940 20.817 -16.902 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -4.333 22.102 -17.927 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.855 22.148 -16.226 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.254 21.496 -16.648 1.00 0.00 H new ATOM 1657 N LEU A 115 -8.201 19.748 -15.254 1.00 0.00 N ATOM 1658 CA LEU A 115 -9.493 19.086 -15.396 1.00 0.00 C ATOM 1659 C LEU A 115 -9.843 18.883 -16.866 1.00 0.00 C ATOM 1660 O LEU A 115 -10.455 17.881 -17.237 1.00 0.00 O ATOM 1661 CB LEU A 115 -10.586 19.905 -14.708 1.00 0.00 C ATOM 1662 CG LEU A 115 -10.626 19.824 -13.181 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -10.670 21.217 -12.573 1.00 0.00 C ATOM 1664 CD2 LEU A 115 -11.821 19.001 -12.722 1.00 0.00 C ATOM 0 H LEU A 115 -8.201 20.733 -15.519 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.426 18.108 -14.920 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.463 20.950 -14.993 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -11.552 19.581 -15.094 1.00 0.00 H new ATOM 0 HG LEU A 115 -9.717 19.330 -12.839 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.698 21.139 -11.486 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.782 21.774 -12.874 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.561 21.739 -12.922 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.834 18.954 -11.633 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -12.741 19.467 -13.076 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.746 17.992 -13.128 1.00 0.00 H new ATOM 1676 N ASP A 116 -9.449 19.840 -17.700 1.00 0.00 N ATOM 1677 CA ASP A 116 -9.718 19.765 -19.131 1.00 0.00 C ATOM 1678 C ASP A 116 -9.074 20.936 -19.867 1.00 0.00 C ATOM 1679 O ASP A 116 -8.615 21.895 -19.247 1.00 0.00 O ATOM 1680 CB ASP A 116 -11.226 19.752 -19.388 1.00 0.00 C ATOM 1681 CG ASP A 116 -11.611 18.832 -20.530 1.00 0.00 C ATOM 1682 OD1 ASP A 116 -11.000 17.750 -20.650 1.00 0.00 O ATOM 1683 OD2 ASP A 116 -12.522 19.194 -21.303 1.00 0.00 O ATOM 0 H ASP A 116 -8.942 20.676 -17.409 1.00 0.00 H new ATOM 0 HA ASP A 116 -9.285 18.839 -19.509 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.743 19.437 -18.482 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.562 20.764 -19.612 1.00 0.00 H new ATOM 1688 N VAL A 117 -9.042 20.849 -21.193 1.00 0.00 N ATOM 1689 CA VAL A 117 -8.454 21.901 -22.014 1.00 0.00 C ATOM 1690 C VAL A 117 -9.490 22.510 -22.952 1.00 0.00 C ATOM 1691 O VAL A 117 -10.052 21.791 -23.777 1.00 0.00 O ATOM 1692 CB VAL A 117 -7.273 21.368 -22.847 1.00 0.00 C ATOM 1693 CG1 VAL A 117 -6.678 22.478 -23.701 1.00 0.00 C ATOM 1694 CG2 VAL A 117 -6.215 20.757 -21.941 1.00 0.00 C ATOM 0 H VAL A 117 -9.416 20.061 -21.722 1.00 0.00 H new ATOM 0 HA VAL A 117 -8.090 22.669 -21.332 1.00 0.00 H new ATOM 0 HB VAL A 117 -7.643 20.588 -23.513 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.845 22.083 -24.282 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.440 22.866 -24.377 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.322 23.282 -23.057 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.388 20.386 -22.546 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -5.847 21.515 -21.249 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -6.651 19.932 -21.377 1.00 0.00 H new