USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 583 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -4.76! C(o=-4.8!,f=-6.5!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0141 USER MOD Single : A 36 GLN : amide:sc= -4.4! C(o=-4.4!,f=-1.6!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -170:sc= -1.02 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -5.63! C(o=-5.6!,f=-14!) USER MOD Single : A 66 ASN : amide:sc= 1.1 K(o=1.1,f=-0.056) USER MOD Single : A 67 MET CE :methyl -125:sc= -0.326 (180deg=-4.33!) USER MOD Single : A 68 ASN : amide:sc= -0.222 K(o=-0.22,f=0.54) USER MOD Single : A 70 SER OG : rot -143:sc= -0.992 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 143 N ARG A 6 -19.010 0.473 4.374 1.00 0.00 N ATOM 144 CA ARG A 6 -18.542 0.587 2.997 1.00 0.00 C ATOM 145 C ARG A 6 -17.019 0.654 2.945 1.00 0.00 C ATOM 146 O ARG A 6 -16.381 -0.070 2.180 1.00 0.00 O ATOM 147 CB ARG A 6 -19.141 1.828 2.334 1.00 0.00 C ATOM 148 CG ARG A 6 -20.532 1.603 1.764 1.00 0.00 C ATOM 149 CD ARG A 6 -21.080 2.865 1.116 1.00 0.00 C ATOM 150 NE ARG A 6 -22.238 2.588 0.271 1.00 0.00 N ATOM 151 CZ ARG A 6 -23.431 2.251 0.747 1.00 0.00 C ATOM 152 NH1 ARG A 6 -23.622 2.150 2.055 1.00 0.00 N ATOM 153 NH2 ARG A 6 -24.437 2.015 -0.086 1.00 0.00 N ATOM 0 HA ARG A 6 -18.868 -0.300 2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -19.183 2.635 3.065 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.479 2.157 1.534 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -20.499 0.800 1.028 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -21.204 1.280 2.559 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -21.359 3.578 1.891 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -20.299 3.334 0.518 1.00 0.00 H new ATOM 0 HE ARG A 6 -22.124 2.657 -0.740 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -22.852 2.331 2.698 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -24.539 1.891 2.418 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -24.294 2.092 -1.093 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -25.353 1.756 0.281 1.00 0.00 H new ATOM 167 N VAL A 7 -16.441 1.528 3.763 1.00 0.00 N ATOM 168 CA VAL A 7 -14.993 1.690 3.810 1.00 0.00 C ATOM 169 C VAL A 7 -14.346 0.602 4.660 1.00 0.00 C ATOM 170 O VAL A 7 -14.597 0.507 5.863 1.00 0.00 O ATOM 171 CB VAL A 7 -14.600 3.068 4.374 1.00 0.00 C ATOM 172 CG1 VAL A 7 -13.088 3.231 4.380 1.00 0.00 C ATOM 173 CG2 VAL A 7 -15.261 4.179 3.571 1.00 0.00 C ATOM 0 H VAL A 7 -16.954 2.135 4.402 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.632 1.609 2.785 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.952 3.135 5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.829 4.211 4.782 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.641 2.455 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.709 3.145 3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.973 5.146 3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.940 4.117 2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -16.344 4.071 3.623 1.00 0.00 H new ATOM 183 N LEU A 8 -13.513 -0.217 4.029 1.00 0.00 N ATOM 184 CA LEU A 8 -12.828 -1.300 4.728 1.00 0.00 C ATOM 185 C LEU A 8 -11.393 -0.909 5.064 1.00 0.00 C ATOM 186 O LEU A 8 -10.729 -0.219 4.289 1.00 0.00 O ATOM 187 CB LEU A 8 -12.837 -2.569 3.875 1.00 0.00 C ATOM 188 CG LEU A 8 -14.171 -2.929 3.219 1.00 0.00 C ATOM 189 CD1 LEU A 8 -14.035 -4.201 2.397 1.00 0.00 C ATOM 190 CD2 LEU A 8 -15.257 -3.086 4.273 1.00 0.00 C ATOM 0 H LEU A 8 -13.295 -0.153 3.035 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.360 -1.492 5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.087 -2.461 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.526 -3.405 4.501 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.457 -2.118 2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.994 -4.442 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.287 -4.053 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.727 -5.022 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.199 -3.342 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.978 -3.879 4.967 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.372 -2.150 4.819 1.00 0.00 H new ATOM 202 N TYR A 9 -10.919 -1.355 6.222 1.00 0.00 N ATOM 203 CA TYR A 9 -9.562 -1.052 6.660 1.00 0.00 C ATOM 204 C TYR A 9 -8.624 -2.221 6.377 1.00 0.00 C ATOM 205 O TYR A 9 -8.983 -3.382 6.571 1.00 0.00 O ATOM 206 CB TYR A 9 -9.548 -0.723 8.154 1.00 0.00 C ATOM 207 CG TYR A 9 -8.251 -1.086 8.842 1.00 0.00 C ATOM 208 CD1 TYR A 9 -7.971 -2.401 9.190 1.00 0.00 C ATOM 209 CD2 TYR A 9 -7.306 -0.112 9.143 1.00 0.00 C ATOM 210 CE1 TYR A 9 -6.787 -2.736 9.819 1.00 0.00 C ATOM 211 CE2 TYR A 9 -6.120 -0.439 9.770 1.00 0.00 C ATOM 212 CZ TYR A 9 -5.865 -1.752 10.107 1.00 0.00 C ATOM 213 OH TYR A 9 -4.685 -2.082 10.732 1.00 0.00 O ATOM 0 H TYR A 9 -11.455 -1.928 6.874 1.00 0.00 H new ATOM 0 HA TYR A 9 -9.212 -0.185 6.100 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.733 0.343 8.284 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.368 -1.250 8.641 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.690 -3.175 8.965 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.503 0.917 8.882 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.585 -3.763 10.084 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.396 0.330 9.995 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.146 -1.274 10.861 1.00 0.00 H new ATOM 223 N VAL A 10 -7.418 -1.904 5.916 1.00 0.00 N ATOM 224 CA VAL A 10 -6.425 -2.927 5.607 1.00 0.00 C ATOM 225 C VAL A 10 -5.141 -2.703 6.397 1.00 0.00 C ATOM 226 O VAL A 10 -4.672 -1.574 6.533 1.00 0.00 O ATOM 227 CB VAL A 10 -6.092 -2.949 4.103 1.00 0.00 C ATOM 228 CG1 VAL A 10 -5.069 -4.032 3.798 1.00 0.00 C ATOM 229 CG2 VAL A 10 -7.356 -3.151 3.281 1.00 0.00 C ATOM 0 H VAL A 10 -7.105 -0.948 5.748 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.859 -3.886 5.890 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.658 -1.987 3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.846 -4.032 2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.155 -3.838 4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.471 -5.004 4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.102 -3.164 2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.820 -4.098 3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.052 -2.336 3.478 1.00 0.00 H new ATOM 239 N GLY A 11 -4.575 -3.788 6.917 1.00 0.00 N ATOM 240 CA GLY A 11 -3.349 -3.689 7.687 1.00 0.00 C ATOM 241 C GLY A 11 -2.322 -4.726 7.277 1.00 0.00 C ATOM 242 O GLY A 11 -2.641 -5.682 6.573 1.00 0.00 O ATOM 0 H GLY A 11 -4.944 -4.734 6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.925 -2.693 7.562 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.578 -3.808 8.746 1.00 0.00 H new ATOM 246 N GLY A 12 -1.082 -4.534 7.718 1.00 0.00 N ATOM 247 CA GLY A 12 -0.022 -5.467 7.380 1.00 0.00 C ATOM 248 C GLY A 12 0.231 -5.541 5.888 1.00 0.00 C ATOM 249 O GLY A 12 0.445 -6.623 5.340 1.00 0.00 O ATOM 0 H GLY A 12 -0.793 -3.750 8.303 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.896 -5.168 7.887 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.283 -6.458 7.751 1.00 0.00 H new ATOM 253 N LEU A 13 0.206 -4.389 5.227 1.00 0.00 N ATOM 254 CA LEU A 13 0.433 -4.328 3.787 1.00 0.00 C ATOM 255 C LEU A 13 1.917 -4.159 3.477 1.00 0.00 C ATOM 256 O LEU A 13 2.671 -3.612 4.281 1.00 0.00 O ATOM 257 CB LEU A 13 -0.362 -3.174 3.174 1.00 0.00 C ATOM 258 CG LEU A 13 -1.854 -3.429 2.955 1.00 0.00 C ATOM 259 CD1 LEU A 13 -2.539 -2.176 2.433 1.00 0.00 C ATOM 260 CD2 LEU A 13 -2.061 -4.592 1.995 1.00 0.00 C ATOM 0 H LEU A 13 0.031 -3.485 5.665 1.00 0.00 H new ATOM 0 HA LEU A 13 0.094 -5.267 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.254 -2.302 3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.087 -2.919 2.214 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.303 -3.691 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.600 -2.377 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.421 -1.369 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.088 -1.883 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.128 -4.759 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.597 -4.359 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.606 -5.491 2.409 1.00 0.00 H new ATOM 272 N ALA A 14 2.329 -4.630 2.305 1.00 0.00 N ATOM 273 CA ALA A 14 3.721 -4.527 1.886 1.00 0.00 C ATOM 274 C ALA A 14 4.085 -3.088 1.539 1.00 0.00 C ATOM 275 O ALA A 14 3.227 -2.299 1.147 1.00 0.00 O ATOM 276 CB ALA A 14 3.984 -5.441 0.699 1.00 0.00 C ATOM 0 H ALA A 14 1.718 -5.087 1.628 1.00 0.00 H new ATOM 0 HA ALA A 14 4.349 -4.842 2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.028 -5.354 0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.773 -6.473 0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.340 -5.153 -0.132 1.00 0.00 H new ATOM 282 N GLU A 15 5.364 -2.753 1.687 1.00 0.00 N ATOM 283 CA GLU A 15 5.839 -1.407 1.391 1.00 0.00 C ATOM 284 C GLU A 15 5.704 -1.098 -0.098 1.00 0.00 C ATOM 285 O GLU A 15 5.893 0.040 -0.525 1.00 0.00 O ATOM 286 CB GLU A 15 7.298 -1.251 1.825 1.00 0.00 C ATOM 287 CG GLU A 15 8.259 -2.150 1.066 1.00 0.00 C ATOM 288 CD GLU A 15 9.662 -2.122 1.641 1.00 0.00 C ATOM 289 OE1 GLU A 15 9.844 -2.597 2.782 1.00 0.00 O ATOM 290 OE2 GLU A 15 10.577 -1.626 0.951 1.00 0.00 O ATOM 0 H GLU A 15 6.088 -3.395 2.010 1.00 0.00 H new ATOM 0 HA GLU A 15 5.224 -0.701 1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.600 -0.213 1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.376 -1.467 2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.884 -3.173 1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.292 -1.840 0.021 1.00 0.00 H new ATOM 297 N GLU A 16 5.377 -2.121 -0.881 1.00 0.00 N ATOM 298 CA GLU A 16 5.218 -1.959 -2.322 1.00 0.00 C ATOM 299 C GLU A 16 3.743 -1.868 -2.700 1.00 0.00 C ATOM 300 O GLU A 16 3.392 -1.341 -3.755 1.00 0.00 O ATOM 301 CB GLU A 16 5.876 -3.124 -3.064 1.00 0.00 C ATOM 302 CG GLU A 16 5.854 -2.973 -4.576 1.00 0.00 C ATOM 303 CD GLU A 16 6.964 -2.076 -5.088 1.00 0.00 C ATOM 304 OE1 GLU A 16 8.145 -2.389 -4.831 1.00 0.00 O ATOM 305 OE2 GLU A 16 6.651 -1.061 -5.745 1.00 0.00 O ATOM 0 H GLU A 16 5.217 -3.070 -0.543 1.00 0.00 H new ATOM 0 HA GLU A 16 5.707 -1.030 -2.614 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.910 -3.218 -2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.369 -4.050 -2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.945 -3.956 -5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.891 -2.565 -4.883 1.00 0.00 H new ATOM 312 N VAL A 17 2.882 -2.388 -1.830 1.00 0.00 N ATOM 313 CA VAL A 17 1.444 -2.366 -2.071 1.00 0.00 C ATOM 314 C VAL A 17 0.894 -0.948 -1.982 1.00 0.00 C ATOM 315 O VAL A 17 1.047 -0.274 -0.962 1.00 0.00 O ATOM 316 CB VAL A 17 0.693 -3.261 -1.067 1.00 0.00 C ATOM 317 CG1 VAL A 17 -0.811 -3.104 -1.233 1.00 0.00 C ATOM 318 CG2 VAL A 17 1.107 -4.715 -1.236 1.00 0.00 C ATOM 0 H VAL A 17 3.156 -2.830 -0.952 1.00 0.00 H new ATOM 0 HA VAL A 17 1.286 -2.751 -3.078 1.00 0.00 H new ATOM 0 HB VAL A 17 0.958 -2.947 -0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.325 -3.744 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.090 -2.065 -1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.097 -3.391 -2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.567 -5.333 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.873 -5.045 -2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.179 -4.811 -1.062 1.00 0.00 H new ATOM 328 N ASP A 18 0.252 -0.499 -3.055 1.00 0.00 N ATOM 329 CA ASP A 18 -0.324 0.840 -3.098 1.00 0.00 C ATOM 330 C ASP A 18 -1.742 0.804 -3.660 1.00 0.00 C ATOM 331 O ASP A 18 -2.241 -0.253 -4.045 1.00 0.00 O ATOM 332 CB ASP A 18 0.550 1.767 -3.944 1.00 0.00 C ATOM 333 CG ASP A 18 1.046 1.099 -5.211 1.00 0.00 C ATOM 334 OD1 ASP A 18 1.554 -0.039 -5.123 1.00 0.00 O ATOM 335 OD2 ASP A 18 0.925 1.713 -6.291 1.00 0.00 O ATOM 0 H ASP A 18 0.117 -1.043 -3.907 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.366 1.224 -2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.019 2.659 -4.206 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.404 2.096 -3.352 1.00 0.00 H new ATOM 340 N ASP A 19 -2.385 1.965 -3.702 1.00 0.00 N ATOM 341 CA ASP A 19 -3.746 2.067 -4.217 1.00 0.00 C ATOM 342 C ASP A 19 -3.911 1.235 -5.484 1.00 0.00 C ATOM 343 O ASP A 19 -4.963 0.638 -5.716 1.00 0.00 O ATOM 344 CB ASP A 19 -4.098 3.528 -4.502 1.00 0.00 C ATOM 345 CG ASP A 19 -2.999 4.252 -5.254 1.00 0.00 C ATOM 346 OD1 ASP A 19 -2.904 4.070 -6.486 1.00 0.00 O ATOM 347 OD2 ASP A 19 -2.233 5.001 -4.611 1.00 0.00 O ATOM 0 H ASP A 19 -1.986 2.849 -3.386 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.425 1.679 -3.458 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.020 3.570 -5.082 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.290 4.043 -3.561 1.00 0.00 H new ATOM 352 N LYS A 20 -2.865 1.199 -6.303 1.00 0.00 N ATOM 353 CA LYS A 20 -2.893 0.440 -7.548 1.00 0.00 C ATOM 354 C LYS A 20 -2.962 -1.058 -7.270 1.00 0.00 C ATOM 355 O LYS A 20 -3.730 -1.783 -7.904 1.00 0.00 O ATOM 356 CB LYS A 20 -1.655 0.756 -8.390 1.00 0.00 C ATOM 357 CG LYS A 20 -0.447 -0.095 -8.040 1.00 0.00 C ATOM 358 CD LYS A 20 0.799 0.378 -8.770 1.00 0.00 C ATOM 359 CE LYS A 20 2.001 -0.495 -8.443 1.00 0.00 C ATOM 360 NZ LYS A 20 3.240 -0.003 -9.106 1.00 0.00 N ATOM 0 H LYS A 20 -1.987 1.687 -6.127 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.786 0.731 -8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.896 0.613 -9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.398 1.807 -8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.275 -0.059 -6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.647 -1.135 -8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.620 0.364 -9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.013 1.411 -8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.151 -0.517 -7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.803 -1.519 -8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.036 -0.624 -8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.106 -0.006 -10.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.444 0.965 -8.786 1.00 0.00 H new ATOM 374 N VAL A 21 -2.157 -1.517 -6.317 1.00 0.00 N ATOM 375 CA VAL A 21 -2.129 -2.928 -5.953 1.00 0.00 C ATOM 376 C VAL A 21 -3.412 -3.337 -5.239 1.00 0.00 C ATOM 377 O VAL A 21 -3.977 -4.397 -5.511 1.00 0.00 O ATOM 378 CB VAL A 21 -0.925 -3.251 -5.048 1.00 0.00 C ATOM 379 CG1 VAL A 21 -0.904 -4.730 -4.693 1.00 0.00 C ATOM 380 CG2 VAL A 21 0.374 -2.837 -5.723 1.00 0.00 C ATOM 0 H VAL A 21 -1.515 -0.931 -5.783 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.038 -3.492 -6.881 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.025 -2.683 -4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.046 -4.939 -4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.822 -4.991 -4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.829 -5.322 -5.605 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.214 -3.072 -5.070 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.483 -3.377 -6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.356 -1.765 -5.920 1.00 0.00 H new ATOM 390 N LEU A 22 -3.868 -2.490 -4.323 1.00 0.00 N ATOM 391 CA LEU A 22 -5.087 -2.762 -3.568 1.00 0.00 C ATOM 392 C LEU A 22 -6.313 -2.697 -4.472 1.00 0.00 C ATOM 393 O LEU A 22 -7.241 -3.495 -4.336 1.00 0.00 O ATOM 394 CB LEU A 22 -5.232 -1.764 -2.418 1.00 0.00 C ATOM 395 CG LEU A 22 -4.358 -2.022 -1.190 1.00 0.00 C ATOM 396 CD1 LEU A 22 -4.411 -0.837 -0.239 1.00 0.00 C ATOM 397 CD2 LEU A 22 -4.797 -3.296 -0.482 1.00 0.00 C ATOM 0 H LEU A 22 -3.412 -1.609 -4.085 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.014 -3.769 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.005 -0.768 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.275 -1.755 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.327 -2.150 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.783 -1.039 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.049 0.056 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.439 -0.677 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.164 -3.464 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.835 -3.196 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.707 -4.141 -1.165 1.00 0.00 H new ATOM 409 N HIS A 23 -6.310 -1.742 -5.397 1.00 0.00 N ATOM 410 CA HIS A 23 -7.422 -1.574 -6.326 1.00 0.00 C ATOM 411 C HIS A 23 -7.593 -2.814 -7.198 1.00 0.00 C ATOM 412 O HIS A 23 -8.702 -3.325 -7.355 1.00 0.00 O ATOM 413 CB HIS A 23 -7.197 -0.344 -7.206 1.00 0.00 C ATOM 414 CG HIS A 23 -8.053 -0.322 -8.434 1.00 0.00 C ATOM 415 ND1 HIS A 23 -8.026 -1.317 -9.389 1.00 0.00 N ATOM 416 CD2 HIS A 23 -8.967 0.582 -8.861 1.00 0.00 C ATOM 417 CE1 HIS A 23 -8.884 -1.025 -10.350 1.00 0.00 C ATOM 418 NE2 HIS A 23 -9.468 0.122 -10.054 1.00 0.00 N ATOM 0 H HIS A 23 -5.550 -1.073 -5.523 1.00 0.00 H new ATOM 0 HA HIS A 23 -8.332 -1.433 -5.743 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.394 0.553 -6.619 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.149 -0.307 -7.503 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.249 1.495 -8.357 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.075 -1.623 -11.229 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.176 0.590 -10.620 1.00 0.00 H new ATOM 426 N ALA A 24 -6.489 -3.292 -7.763 1.00 0.00 N ATOM 427 CA ALA A 24 -6.517 -4.472 -8.617 1.00 0.00 C ATOM 428 C ALA A 24 -6.697 -5.742 -7.793 1.00 0.00 C ATOM 429 O ALA A 24 -7.134 -6.771 -8.308 1.00 0.00 O ATOM 430 CB ALA A 24 -5.244 -4.554 -9.447 1.00 0.00 C ATOM 0 H ALA A 24 -5.564 -2.879 -7.644 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.370 -4.383 -9.289 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.279 -5.441 -10.080 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.159 -3.665 -10.072 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.381 -4.615 -8.784 1.00 0.00 H new ATOM 436 N ALA A 25 -6.355 -5.664 -6.511 1.00 0.00 N ATOM 437 CA ALA A 25 -6.480 -6.807 -5.616 1.00 0.00 C ATOM 438 C ALA A 25 -7.885 -6.895 -5.030 1.00 0.00 C ATOM 439 O ALA A 25 -8.278 -7.926 -4.485 1.00 0.00 O ATOM 440 CB ALA A 25 -5.446 -6.722 -4.503 1.00 0.00 C ATOM 0 H ALA A 25 -5.989 -4.821 -6.069 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.300 -7.712 -6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.551 -7.582 -3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.445 -6.717 -4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.600 -5.806 -3.933 1.00 0.00 H new ATOM 446 N PHE A 26 -8.637 -5.805 -5.144 1.00 0.00 N ATOM 447 CA PHE A 26 -9.998 -5.758 -4.623 1.00 0.00 C ATOM 448 C PHE A 26 -11.004 -5.540 -5.749 1.00 0.00 C ATOM 449 O PHE A 26 -12.210 -5.455 -5.511 1.00 0.00 O ATOM 450 CB PHE A 26 -10.131 -4.645 -3.582 1.00 0.00 C ATOM 451 CG PHE A 26 -9.527 -4.993 -2.251 1.00 0.00 C ATOM 452 CD1 PHE A 26 -8.206 -5.402 -2.161 1.00 0.00 C ATOM 453 CD2 PHE A 26 -10.279 -4.911 -1.091 1.00 0.00 C ATOM 454 CE1 PHE A 26 -7.647 -5.723 -0.939 1.00 0.00 C ATOM 455 CE2 PHE A 26 -9.725 -5.229 0.134 1.00 0.00 C ATOM 456 CZ PHE A 26 -8.408 -5.637 0.210 1.00 0.00 C ATOM 0 H PHE A 26 -8.327 -4.943 -5.592 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.212 -6.716 -4.149 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.654 -3.743 -3.964 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -11.187 -4.413 -3.443 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.606 -5.471 -3.057 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.310 -4.595 -1.145 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.616 -6.041 -0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.322 -5.159 1.032 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.974 -5.888 1.166 1.00 0.00 H new ATOM 466 N ILE A 27 -10.500 -5.448 -6.975 1.00 0.00 N ATOM 467 CA ILE A 27 -11.354 -5.240 -8.138 1.00 0.00 C ATOM 468 C ILE A 27 -12.361 -6.375 -8.291 1.00 0.00 C ATOM 469 O ILE A 27 -13.479 -6.185 -8.769 1.00 0.00 O ATOM 470 CB ILE A 27 -10.526 -5.126 -9.431 1.00 0.00 C ATOM 471 CG1 ILE A 27 -11.338 -4.426 -10.523 1.00 0.00 C ATOM 472 CG2 ILE A 27 -10.078 -6.503 -9.897 1.00 0.00 C ATOM 473 CD1 ILE A 27 -11.701 -2.997 -10.183 1.00 0.00 C ATOM 0 H ILE A 27 -9.505 -5.514 -7.189 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.888 -4.304 -7.974 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.639 -4.528 -9.224 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.768 -4.436 -11.452 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -12.252 -4.992 -10.704 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.494 -6.405 -10.812 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.466 -6.968 -9.124 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.953 -7.124 -10.090 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.276 -2.563 -11.001 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.298 -2.980 -9.271 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.791 -2.417 -10.031 1.00 0.00 H new ATOM 485 N PRO A 28 -11.957 -7.584 -7.874 1.00 0.00 N ATOM 486 CA PRO A 28 -12.810 -8.774 -7.953 1.00 0.00 C ATOM 487 C PRO A 28 -14.105 -8.612 -7.163 1.00 0.00 C ATOM 488 O PRO A 28 -15.199 -8.748 -7.710 1.00 0.00 O ATOM 489 CB PRO A 28 -11.942 -9.874 -7.337 1.00 0.00 C ATOM 490 CG PRO A 28 -10.546 -9.372 -7.467 1.00 0.00 C ATOM 491 CD PRO A 28 -10.638 -7.883 -7.294 1.00 0.00 C ATOM 0 HA PRO A 28 -13.125 -8.983 -8.975 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.205 -10.048 -6.293 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.073 -10.821 -7.861 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.897 -9.816 -6.712 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.125 -9.629 -8.439 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.578 -7.590 -6.246 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.836 -7.362 -7.817 1.00 0.00 H new ATOM 499 N PHE A 29 -13.973 -8.321 -5.873 1.00 0.00 N ATOM 500 CA PHE A 29 -15.133 -8.141 -5.007 1.00 0.00 C ATOM 501 C PHE A 29 -16.206 -7.309 -5.702 1.00 0.00 C ATOM 502 O PHE A 29 -17.233 -7.834 -6.131 1.00 0.00 O ATOM 503 CB PHE A 29 -14.718 -7.468 -3.697 1.00 0.00 C ATOM 504 CG PHE A 29 -13.822 -8.319 -2.843 1.00 0.00 C ATOM 505 CD1 PHE A 29 -14.194 -9.607 -2.495 1.00 0.00 C ATOM 506 CD2 PHE A 29 -12.609 -7.829 -2.387 1.00 0.00 C ATOM 507 CE1 PHE A 29 -13.372 -10.393 -1.710 1.00 0.00 C ATOM 508 CE2 PHE A 29 -11.783 -8.611 -1.602 1.00 0.00 C ATOM 509 CZ PHE A 29 -12.165 -9.894 -1.262 1.00 0.00 C ATOM 0 H PHE A 29 -13.075 -8.205 -5.404 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.547 -9.125 -4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.208 -6.532 -3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.613 -7.213 -3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -15.138 -10.002 -2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.306 -6.826 -2.648 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.673 -11.396 -1.447 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.839 -8.219 -1.254 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.521 -10.505 -0.647 1.00 0.00 H new ATOM 519 N GLY A 30 -15.961 -6.007 -5.809 1.00 0.00 N ATOM 520 CA GLY A 30 -16.915 -5.122 -6.452 1.00 0.00 C ATOM 521 C GLY A 30 -16.241 -4.018 -7.242 1.00 0.00 C ATOM 522 O GLY A 30 -15.179 -4.225 -7.829 1.00 0.00 O ATOM 0 H GLY A 30 -15.118 -5.549 -5.462 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.553 -5.703 -7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -17.563 -4.679 -5.695 1.00 0.00 H new ATOM 526 N ASP A 31 -16.860 -2.843 -7.259 1.00 0.00 N ATOM 527 CA ASP A 31 -16.313 -1.702 -7.984 1.00 0.00 C ATOM 528 C ASP A 31 -15.733 -0.672 -7.020 1.00 0.00 C ATOM 529 O ASP A 31 -16.459 0.158 -6.473 1.00 0.00 O ATOM 530 CB ASP A 31 -17.395 -1.055 -8.850 1.00 0.00 C ATOM 531 CG ASP A 31 -17.509 -1.704 -10.216 1.00 0.00 C ATOM 532 OD1 ASP A 31 -16.481 -1.791 -10.919 1.00 0.00 O ATOM 533 OD2 ASP A 31 -18.627 -2.125 -10.580 1.00 0.00 O ATOM 0 H ASP A 31 -17.740 -2.655 -6.779 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.511 -2.063 -8.627 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.355 -1.123 -8.338 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -17.173 0.005 -8.972 1.00 0.00 H new ATOM 538 N ILE A 32 -14.422 -0.733 -6.816 1.00 0.00 N ATOM 539 CA ILE A 32 -13.745 0.194 -5.917 1.00 0.00 C ATOM 540 C ILE A 32 -13.895 1.633 -6.398 1.00 0.00 C ATOM 541 O ILE A 32 -13.104 2.114 -7.211 1.00 0.00 O ATOM 542 CB ILE A 32 -12.247 -0.140 -5.788 1.00 0.00 C ATOM 543 CG1 ILE A 32 -12.060 -1.609 -5.406 1.00 0.00 C ATOM 544 CG2 ILE A 32 -11.589 0.768 -4.760 1.00 0.00 C ATOM 545 CD1 ILE A 32 -10.667 -2.132 -5.680 1.00 0.00 C ATOM 0 H ILE A 32 -13.807 -1.414 -7.261 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.217 0.089 -4.940 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.768 0.028 -6.753 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.283 -1.732 -4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.781 -2.214 -5.956 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.531 0.520 -4.680 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.696 1.807 -5.071 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.069 0.628 -3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.607 -3.180 -5.385 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.447 -2.042 -6.744 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.942 -1.552 -5.109 1.00 0.00 H new ATOM 557 N THR A 33 -14.913 2.319 -5.888 1.00 0.00 N ATOM 558 CA THR A 33 -15.167 3.704 -6.264 1.00 0.00 C ATOM 559 C THR A 33 -13.924 4.564 -6.064 1.00 0.00 C ATOM 560 O THR A 33 -13.594 5.400 -6.905 1.00 0.00 O ATOM 561 CB THR A 33 -16.329 4.303 -5.450 1.00 0.00 C ATOM 562 OG1 THR A 33 -16.003 4.300 -4.056 1.00 0.00 O ATOM 563 CG2 THR A 33 -17.611 3.517 -5.678 1.00 0.00 C ATOM 0 H THR A 33 -15.575 1.937 -5.213 1.00 0.00 H new ATOM 0 HA THR A 33 -15.437 3.701 -7.320 1.00 0.00 H new ATOM 0 HB THR A 33 -16.486 5.329 -5.784 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.746 4.684 -3.545 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.418 3.959 -5.093 1.00 0.00 H new ATOM 0 HG22 THR A 33 -17.872 3.546 -6.736 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.463 2.482 -5.369 1.00 0.00 H new ATOM 571 N ASP A 34 -13.239 4.354 -4.945 1.00 0.00 N ATOM 572 CA ASP A 34 -12.031 5.110 -4.635 1.00 0.00 C ATOM 573 C ASP A 34 -11.249 4.445 -3.507 1.00 0.00 C ATOM 574 O ASP A 34 -11.767 3.571 -2.811 1.00 0.00 O ATOM 575 CB ASP A 34 -12.388 6.546 -4.249 1.00 0.00 C ATOM 576 CG ASP A 34 -11.296 7.532 -4.615 1.00 0.00 C ATOM 577 OD1 ASP A 34 -10.132 7.102 -4.759 1.00 0.00 O ATOM 578 OD2 ASP A 34 -11.604 8.734 -4.757 1.00 0.00 O ATOM 0 H ASP A 34 -13.500 3.667 -4.238 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.403 5.128 -5.526 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.314 6.833 -4.746 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.574 6.595 -3.176 1.00 0.00 H new ATOM 583 N ILE A 35 -10.001 4.866 -3.331 1.00 0.00 N ATOM 584 CA ILE A 35 -9.148 4.311 -2.287 1.00 0.00 C ATOM 585 C ILE A 35 -8.336 5.405 -1.603 1.00 0.00 C ATOM 586 O ILE A 35 -7.983 6.408 -2.221 1.00 0.00 O ATOM 587 CB ILE A 35 -8.186 3.249 -2.851 1.00 0.00 C ATOM 588 CG1 ILE A 35 -8.974 2.085 -3.455 1.00 0.00 C ATOM 589 CG2 ILE A 35 -7.248 2.752 -1.761 1.00 0.00 C ATOM 590 CD1 ILE A 35 -8.165 1.242 -4.417 1.00 0.00 C ATOM 0 H ILE A 35 -9.558 5.589 -3.898 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.807 3.840 -1.557 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.587 3.705 -3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.343 1.450 -2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.847 2.479 -3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.574 2.002 -2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.666 3.588 -1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.831 2.310 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.787 0.436 -4.806 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.818 1.864 -5.242 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.306 0.818 -3.896 1.00 0.00 H new ATOM 602 N GLN A 36 -8.041 5.202 -0.323 1.00 0.00 N ATOM 603 CA GLN A 36 -7.268 6.171 0.446 1.00 0.00 C ATOM 604 C GLN A 36 -6.005 5.532 1.014 1.00 0.00 C ATOM 605 O GLN A 36 -6.071 4.528 1.724 1.00 0.00 O ATOM 606 CB GLN A 36 -8.117 6.747 1.580 1.00 0.00 C ATOM 607 CG GLN A 36 -9.190 7.714 1.106 1.00 0.00 C ATOM 608 CD GLN A 36 -10.329 7.016 0.388 1.00 0.00 C ATOM 609 OE1 GLN A 36 -11.215 6.440 1.019 1.00 0.00 O ATOM 610 NE2 GLN A 36 -10.310 7.063 -0.939 1.00 0.00 N ATOM 0 H GLN A 36 -8.325 4.376 0.203 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.974 6.979 -0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.591 5.927 2.120 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.465 7.259 2.287 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.586 8.260 1.962 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.741 8.450 0.439 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.556 7.552 -1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.050 6.610 -1.476 1.00 0.00 H new ATOM 619 N ILE A 37 -4.857 6.121 0.698 1.00 0.00 N ATOM 620 CA ILE A 37 -3.579 5.609 1.178 1.00 0.00 C ATOM 621 C ILE A 37 -2.892 6.617 2.092 1.00 0.00 C ATOM 622 O ILE A 37 -2.522 7.717 1.679 1.00 0.00 O ATOM 623 CB ILE A 37 -2.635 5.266 0.010 1.00 0.00 C ATOM 624 CG1 ILE A 37 -3.199 4.100 -0.804 1.00 0.00 C ATOM 625 CG2 ILE A 37 -1.246 4.932 0.532 1.00 0.00 C ATOM 626 CD1 ILE A 37 -3.135 2.772 -0.082 1.00 0.00 C ATOM 0 H ILE A 37 -4.785 6.953 0.112 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.794 4.700 1.739 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.557 6.136 -0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.236 4.315 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.648 4.022 -1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.591 4.692 -0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.845 5.789 1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.306 4.075 1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.552 1.991 -0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.097 2.534 0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.710 2.832 0.842 1.00 0.00 H new ATOM 638 N PRO A 38 -2.714 6.235 3.366 1.00 0.00 N ATOM 639 CA PRO A 38 -2.068 7.091 4.366 1.00 0.00 C ATOM 640 C PRO A 38 -0.575 7.261 4.106 1.00 0.00 C ATOM 641 O PRO A 38 0.183 6.290 4.123 1.00 0.00 O ATOM 642 CB PRO A 38 -2.300 6.338 5.679 1.00 0.00 C ATOM 643 CG PRO A 38 -2.463 4.914 5.275 1.00 0.00 C ATOM 644 CD PRO A 38 -3.130 4.939 3.927 1.00 0.00 C ATOM 0 HA PRO A 38 -2.474 8.103 4.361 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.459 6.462 6.361 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.186 6.707 6.196 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.498 4.410 5.223 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.068 4.370 6.000 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.805 4.107 3.302 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.214 4.868 4.013 1.00 0.00 H new ATOM 652 N LEU A 39 -0.159 8.499 3.865 1.00 0.00 N ATOM 653 CA LEU A 39 1.245 8.797 3.601 1.00 0.00 C ATOM 654 C LEU A 39 1.748 9.905 4.521 1.00 0.00 C ATOM 655 O LEU A 39 0.959 10.614 5.145 1.00 0.00 O ATOM 656 CB LEU A 39 1.434 9.206 2.140 1.00 0.00 C ATOM 657 CG LEU A 39 0.935 8.208 1.094 1.00 0.00 C ATOM 658 CD1 LEU A 39 1.077 8.786 -0.306 1.00 0.00 C ATOM 659 CD2 LEU A 39 1.689 6.892 1.209 1.00 0.00 C ATOM 0 H LEU A 39 -0.773 9.313 3.847 1.00 0.00 H new ATOM 0 HA LEU A 39 1.826 7.896 3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.923 10.155 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.496 9.383 1.967 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.122 8.015 1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.717 8.062 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.490 9.701 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.126 9.009 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.320 6.195 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.753 7.067 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.535 6.470 2.202 1.00 0.00 H new ATOM 671 N ASP A 40 3.067 10.050 4.597 1.00 0.00 N ATOM 672 CA ASP A 40 3.676 11.074 5.437 1.00 0.00 C ATOM 673 C ASP A 40 3.815 12.389 4.676 1.00 0.00 C ATOM 674 O ASP A 40 3.431 12.487 3.510 1.00 0.00 O ATOM 675 CB ASP A 40 5.047 10.610 5.931 1.00 0.00 C ATOM 676 CG ASP A 40 4.965 9.865 7.249 1.00 0.00 C ATOM 677 OD1 ASP A 40 4.675 10.511 8.279 1.00 0.00 O ATOM 678 OD2 ASP A 40 5.189 8.637 7.251 1.00 0.00 O ATOM 0 H ASP A 40 3.734 9.471 4.087 1.00 0.00 H new ATOM 0 HA ASP A 40 3.025 11.238 6.296 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.501 9.964 5.180 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.701 11.475 6.046 1.00 0.00 H new ATOM 683 N TYR A 41 4.365 13.398 5.343 1.00 0.00 N ATOM 684 CA TYR A 41 4.552 14.708 4.731 1.00 0.00 C ATOM 685 C TYR A 41 5.989 14.886 4.253 1.00 0.00 C ATOM 686 O TYR A 41 6.259 15.669 3.343 1.00 0.00 O ATOM 687 CB TYR A 41 4.191 15.814 5.724 1.00 0.00 C ATOM 688 CG TYR A 41 4.738 15.581 7.115 1.00 0.00 C ATOM 689 CD1 TYR A 41 4.120 14.691 7.985 1.00 0.00 C ATOM 690 CD2 TYR A 41 5.871 16.250 7.559 1.00 0.00 C ATOM 691 CE1 TYR A 41 4.615 14.475 9.256 1.00 0.00 C ATOM 692 CE2 TYR A 41 6.374 16.040 8.828 1.00 0.00 C ATOM 693 CZ TYR A 41 5.742 15.151 9.673 1.00 0.00 C ATOM 694 OH TYR A 41 6.239 14.939 10.939 1.00 0.00 O ATOM 0 H TYR A 41 4.689 13.333 6.308 1.00 0.00 H new ATOM 0 HA TYR A 41 3.891 14.775 3.867 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.569 16.765 5.349 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.106 15.901 5.779 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.237 14.159 7.662 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.368 16.947 6.900 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.122 13.780 9.920 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.257 16.568 9.157 1.00 0.00 H new ATOM 0 HH TYR A 41 7.037 15.492 11.074 1.00 0.00 H new ATOM 704 N GLU A 42 6.908 14.154 4.875 1.00 0.00 N ATOM 705 CA GLU A 42 8.319 14.231 4.514 1.00 0.00 C ATOM 706 C GLU A 42 8.715 13.063 3.616 1.00 0.00 C ATOM 707 O GLU A 42 9.493 13.224 2.675 1.00 0.00 O ATOM 708 CB GLU A 42 9.190 14.241 5.772 1.00 0.00 C ATOM 709 CG GLU A 42 9.140 15.552 6.537 1.00 0.00 C ATOM 710 CD GLU A 42 9.913 16.660 5.849 1.00 0.00 C ATOM 711 OE1 GLU A 42 9.315 17.374 5.017 1.00 0.00 O ATOM 712 OE2 GLU A 42 11.118 16.813 6.142 1.00 0.00 O ATOM 0 H GLU A 42 6.701 13.501 5.631 1.00 0.00 H new ATOM 0 HA GLU A 42 8.477 15.159 3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.871 13.433 6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.222 14.034 5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.101 15.859 6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.544 15.400 7.538 1.00 0.00 H new ATOM 719 N THR A 43 8.176 11.885 3.914 1.00 0.00 N ATOM 720 CA THR A 43 8.473 10.689 3.137 1.00 0.00 C ATOM 721 C THR A 43 7.316 10.333 2.211 1.00 0.00 C ATOM 722 O THR A 43 7.525 9.833 1.106 1.00 0.00 O ATOM 723 CB THR A 43 8.774 9.486 4.050 1.00 0.00 C ATOM 724 OG1 THR A 43 7.677 9.262 4.943 1.00 0.00 O ATOM 725 CG2 THR A 43 10.047 9.718 4.850 1.00 0.00 C ATOM 0 H THR A 43 7.531 11.734 4.689 1.00 0.00 H new ATOM 0 HA THR A 43 9.357 10.912 2.540 1.00 0.00 H new ATOM 0 HB THR A 43 8.915 8.607 3.421 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.936 8.603 5.621 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.239 8.855 5.487 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.885 9.858 4.167 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.931 10.607 5.469 1.00 0.00 H new ATOM 733 N GLU A 44 6.095 10.594 2.669 1.00 0.00 N ATOM 734 CA GLU A 44 4.905 10.300 1.880 1.00 0.00 C ATOM 735 C GLU A 44 4.837 8.817 1.529 1.00 0.00 C ATOM 736 O GLU A 44 4.359 8.441 0.459 1.00 0.00 O ATOM 737 CB GLU A 44 4.894 11.139 0.600 1.00 0.00 C ATOM 738 CG GLU A 44 5.185 12.612 0.835 1.00 0.00 C ATOM 739 CD GLU A 44 5.610 13.332 -0.430 1.00 0.00 C ATOM 740 OE1 GLU A 44 5.189 12.904 -1.525 1.00 0.00 O ATOM 741 OE2 GLU A 44 6.363 14.322 -0.325 1.00 0.00 O ATOM 0 H GLU A 44 5.905 11.008 3.582 1.00 0.00 H new ATOM 0 HA GLU A 44 4.031 10.554 2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.633 10.738 -0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.920 11.042 0.120 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.296 13.094 1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.970 12.708 1.585 1.00 0.00 H new ATOM 748 N LYS A 45 5.321 7.977 2.438 1.00 0.00 N ATOM 749 CA LYS A 45 5.316 6.535 2.228 1.00 0.00 C ATOM 750 C LYS A 45 4.459 5.834 3.278 1.00 0.00 C ATOM 751 O LYS A 45 4.516 6.167 4.462 1.00 0.00 O ATOM 752 CB LYS A 45 6.744 5.987 2.272 1.00 0.00 C ATOM 753 CG LYS A 45 7.390 6.082 3.643 1.00 0.00 C ATOM 754 CD LYS A 45 8.802 5.521 3.635 1.00 0.00 C ATOM 755 CE LYS A 45 9.507 5.767 4.960 1.00 0.00 C ATOM 756 NZ LYS A 45 10.711 4.904 5.117 1.00 0.00 N ATOM 0 H LYS A 45 5.722 8.271 3.328 1.00 0.00 H new ATOM 0 HA LYS A 45 4.888 6.339 1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.734 4.944 1.956 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.356 6.532 1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.413 7.124 3.964 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.786 5.538 4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.768 4.450 3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.372 5.980 2.827 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.800 6.815 5.026 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.815 5.577 5.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.163 5.102 6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.429 3.904 5.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.383 5.103 4.349 1.00 0.00 H new ATOM 770 N HIS A 46 3.666 4.863 2.836 1.00 0.00 N ATOM 771 CA HIS A 46 2.799 4.114 3.739 1.00 0.00 C ATOM 772 C HIS A 46 3.588 3.045 4.488 1.00 0.00 C ATOM 773 O HIS A 46 4.528 2.462 3.948 1.00 0.00 O ATOM 774 CB HIS A 46 1.653 3.468 2.960 1.00 0.00 C ATOM 775 CG HIS A 46 1.976 2.099 2.445 1.00 0.00 C ATOM 776 ND1 HIS A 46 2.310 1.045 3.269 1.00 0.00 N ATOM 777 CD2 HIS A 46 2.014 1.614 1.182 1.00 0.00 C ATOM 778 CE1 HIS A 46 2.540 -0.029 2.534 1.00 0.00 C ATOM 779 NE2 HIS A 46 2.367 0.290 1.264 1.00 0.00 N ATOM 0 H HIS A 46 3.606 4.577 1.859 1.00 0.00 H new ATOM 0 HA HIS A 46 2.385 4.811 4.468 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.776 3.407 3.604 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.388 4.110 2.120 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.805 2.166 0.278 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.822 -1.002 2.908 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.478 -0.344 0.473 1.00 0.00 H new ATOM 787 N ARG A 47 3.198 2.793 5.733 1.00 0.00 N ATOM 788 CA ARG A 47 3.871 1.795 6.557 1.00 0.00 C ATOM 789 C ARG A 47 3.355 0.394 6.242 1.00 0.00 C ATOM 790 O ARG A 47 4.125 -0.565 6.191 1.00 0.00 O ATOM 791 CB ARG A 47 3.665 2.105 8.041 1.00 0.00 C ATOM 792 CG ARG A 47 4.457 1.197 8.968 1.00 0.00 C ATOM 793 CD ARG A 47 3.658 -0.037 9.357 1.00 0.00 C ATOM 794 NE ARG A 47 2.877 0.178 10.572 1.00 0.00 N ATOM 795 CZ ARG A 47 2.135 -0.764 11.144 1.00 0.00 C ATOM 796 NH1 ARG A 47 2.074 -1.978 10.614 1.00 0.00 N ATOM 797 NH2 ARG A 47 1.452 -0.492 12.249 1.00 0.00 N ATOM 0 H ARG A 47 2.420 3.265 6.193 1.00 0.00 H new ATOM 0 HA ARG A 47 4.937 1.831 6.330 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.949 3.140 8.230 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.605 2.017 8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.382 0.893 8.478 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.738 1.748 9.866 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.990 -0.309 8.540 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.337 -0.876 9.506 1.00 0.00 H new ATOM 0 HE ARG A 47 2.903 1.101 11.005 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.598 -2.191 9.765 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.503 -2.699 11.055 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.497 0.441 12.660 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.882 -1.216 12.688 1.00 0.00 H new ATOM 811 N GLY A 48 2.047 0.283 6.032 1.00 0.00 N ATOM 812 CA GLY A 48 1.451 -1.004 5.725 1.00 0.00 C ATOM 813 C GLY A 48 -0.027 -1.052 6.055 1.00 0.00 C ATOM 814 O GLY A 48 -0.488 -1.961 6.746 1.00 0.00 O ATOM 0 H GLY A 48 1.389 1.062 6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.591 -1.222 4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.970 -1.784 6.283 1.00 0.00 H new ATOM 818 N PHE A 49 -0.774 -0.069 5.562 1.00 0.00 N ATOM 819 CA PHE A 49 -2.209 -0.001 5.810 1.00 0.00 C ATOM 820 C PHE A 49 -2.875 1.007 4.878 1.00 0.00 C ATOM 821 O PHE A 49 -2.218 1.895 4.335 1.00 0.00 O ATOM 822 CB PHE A 49 -2.479 0.380 7.267 1.00 0.00 C ATOM 823 CG PHE A 49 -1.989 1.753 7.628 1.00 0.00 C ATOM 824 CD1 PHE A 49 -0.631 2.022 7.700 1.00 0.00 C ATOM 825 CD2 PHE A 49 -2.885 2.775 7.895 1.00 0.00 C ATOM 826 CE1 PHE A 49 -0.178 3.284 8.033 1.00 0.00 C ATOM 827 CE2 PHE A 49 -2.438 4.040 8.228 1.00 0.00 C ATOM 828 CZ PHE A 49 -1.082 4.295 8.296 1.00 0.00 C ATOM 0 H PHE A 49 -0.409 0.691 4.988 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.633 -0.986 5.614 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.551 0.324 7.456 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.002 -0.351 7.920 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.081 1.236 7.494 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.946 2.581 7.842 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.883 3.480 8.088 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.148 4.828 8.435 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.729 5.283 8.554 1.00 0.00 H new ATOM 838 N ALA A 50 -4.184 0.861 4.696 1.00 0.00 N ATOM 839 CA ALA A 50 -4.940 1.758 3.831 1.00 0.00 C ATOM 840 C ALA A 50 -6.438 1.505 3.953 1.00 0.00 C ATOM 841 O ALA A 50 -6.872 0.643 4.717 1.00 0.00 O ATOM 842 CB ALA A 50 -4.491 1.599 2.386 1.00 0.00 C ATOM 0 H ALA A 50 -4.742 0.130 5.136 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.745 2.782 4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.064 2.275 1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.430 1.837 2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.657 0.571 2.065 1.00 0.00 H new ATOM 848 N PHE A 51 -7.225 2.262 3.195 1.00 0.00 N ATOM 849 CA PHE A 51 -8.676 2.120 3.220 1.00 0.00 C ATOM 850 C PHE A 51 -9.236 2.009 1.805 1.00 0.00 C ATOM 851 O PHE A 51 -8.860 2.771 0.914 1.00 0.00 O ATOM 852 CB PHE A 51 -9.314 3.310 3.941 1.00 0.00 C ATOM 853 CG PHE A 51 -8.822 3.492 5.348 1.00 0.00 C ATOM 854 CD1 PHE A 51 -7.525 3.913 5.593 1.00 0.00 C ATOM 855 CD2 PHE A 51 -9.656 3.241 6.426 1.00 0.00 C ATOM 856 CE1 PHE A 51 -7.069 4.082 6.887 1.00 0.00 C ATOM 857 CE2 PHE A 51 -9.205 3.409 7.722 1.00 0.00 C ATOM 858 CZ PHE A 51 -7.910 3.829 7.953 1.00 0.00 C ATOM 0 H PHE A 51 -6.882 2.980 2.556 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.917 1.205 3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.113 4.219 3.374 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -10.396 3.177 3.957 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.863 4.111 4.763 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.669 2.911 6.252 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.056 4.412 7.064 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -9.865 3.212 8.554 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.556 3.959 8.965 1.00 0.00 H new ATOM 868 N VAL A 52 -10.138 1.053 1.605 1.00 0.00 N ATOM 869 CA VAL A 52 -10.751 0.841 0.299 1.00 0.00 C ATOM 870 C VAL A 52 -12.264 1.009 0.369 1.00 0.00 C ATOM 871 O VAL A 52 -12.918 0.472 1.262 1.00 0.00 O ATOM 872 CB VAL A 52 -10.426 -0.560 -0.253 1.00 0.00 C ATOM 873 CG1 VAL A 52 -10.937 -0.704 -1.678 1.00 0.00 C ATOM 874 CG2 VAL A 52 -8.930 -0.825 -0.184 1.00 0.00 C ATOM 0 H VAL A 52 -10.460 0.413 2.331 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.335 1.593 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.932 -1.302 0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.698 -1.700 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.017 -0.560 -1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.462 0.045 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.718 -1.819 -0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.401 -0.079 -0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.598 -0.767 0.852 1.00 0.00 H new ATOM 884 N GLU A 53 -12.815 1.759 -0.581 1.00 0.00 N ATOM 885 CA GLU A 53 -14.253 1.999 -0.627 1.00 0.00 C ATOM 886 C GLU A 53 -14.946 0.976 -1.522 1.00 0.00 C ATOM 887 O GLU A 53 -14.381 0.521 -2.517 1.00 0.00 O ATOM 888 CB GLU A 53 -14.541 3.414 -1.132 1.00 0.00 C ATOM 889 CG GLU A 53 -14.637 4.448 -0.022 1.00 0.00 C ATOM 890 CD GLU A 53 -14.186 5.826 -0.468 1.00 0.00 C ATOM 891 OE1 GLU A 53 -12.984 5.988 -0.764 1.00 0.00 O ATOM 892 OE2 GLU A 53 -15.034 6.740 -0.520 1.00 0.00 O ATOM 0 H GLU A 53 -12.288 2.210 -1.328 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.645 1.896 0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.755 3.710 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.476 3.407 -1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.667 4.503 0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.028 4.126 0.823 1.00 0.00 H new ATOM 899 N PHE A 54 -16.175 0.620 -1.162 1.00 0.00 N ATOM 900 CA PHE A 54 -16.946 -0.349 -1.932 1.00 0.00 C ATOM 901 C PHE A 54 -18.236 0.275 -2.456 1.00 0.00 C ATOM 902 O PHE A 54 -18.919 1.007 -1.740 1.00 0.00 O ATOM 903 CB PHE A 54 -17.271 -1.572 -1.072 1.00 0.00 C ATOM 904 CG PHE A 54 -16.129 -2.541 -0.951 1.00 0.00 C ATOM 905 CD1 PHE A 54 -14.893 -2.121 -0.487 1.00 0.00 C ATOM 906 CD2 PHE A 54 -16.292 -3.871 -1.304 1.00 0.00 C ATOM 907 CE1 PHE A 54 -13.841 -3.010 -0.374 1.00 0.00 C ATOM 908 CE2 PHE A 54 -15.243 -4.765 -1.193 1.00 0.00 C ATOM 909 CZ PHE A 54 -14.016 -4.333 -0.729 1.00 0.00 C ATOM 0 H PHE A 54 -16.658 0.988 -0.342 1.00 0.00 H new ATOM 0 HA PHE A 54 -16.342 -0.662 -2.784 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.561 -1.239 -0.076 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -18.131 -2.088 -1.499 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.750 -1.087 -0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -17.249 -4.213 -1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.883 -2.670 -0.008 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.383 -5.800 -1.469 1.00 0.00 H new ATOM 0 HZ PHE A 54 -13.195 -5.029 -0.644 1.00 0.00 H new ATOM 919 N GLU A 55 -18.562 -0.021 -3.711 1.00 0.00 N ATOM 920 CA GLU A 55 -19.769 0.513 -4.331 1.00 0.00 C ATOM 921 C GLU A 55 -20.987 0.279 -3.442 1.00 0.00 C ATOM 922 O GLU A 55 -21.888 1.116 -3.371 1.00 0.00 O ATOM 923 CB GLU A 55 -19.992 -0.132 -5.701 1.00 0.00 C ATOM 924 CG GLU A 55 -21.034 0.580 -6.546 1.00 0.00 C ATOM 925 CD GLU A 55 -21.030 0.118 -7.991 1.00 0.00 C ATOM 926 OE1 GLU A 55 -21.373 -1.057 -8.239 1.00 0.00 O ATOM 927 OE2 GLU A 55 -20.683 0.931 -8.872 1.00 0.00 O ATOM 0 H GLU A 55 -18.008 -0.626 -4.317 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.636 1.587 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -19.047 -0.149 -6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -20.297 -1.169 -5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -22.022 0.410 -6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -20.852 1.654 -6.512 1.00 0.00 H new ATOM 934 N LEU A 56 -21.008 -0.864 -2.766 1.00 0.00 N ATOM 935 CA LEU A 56 -22.115 -1.209 -1.881 1.00 0.00 C ATOM 936 C LEU A 56 -21.600 -1.732 -0.544 1.00 0.00 C ATOM 937 O LEU A 56 -20.398 -1.926 -0.363 1.00 0.00 O ATOM 938 CB LEU A 56 -23.012 -2.258 -2.540 1.00 0.00 C ATOM 939 CG LEU A 56 -23.623 -1.868 -3.886 1.00 0.00 C ATOM 940 CD1 LEU A 56 -24.240 -3.081 -4.564 1.00 0.00 C ATOM 941 CD2 LEU A 56 -24.662 -0.771 -3.703 1.00 0.00 C ATOM 0 H LEU A 56 -20.271 -1.568 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.697 -0.306 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -22.430 -3.169 -2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.822 -2.498 -1.852 1.00 0.00 H new ATOM 0 HG LEU A 56 -22.828 -1.485 -4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.670 -2.784 -5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -23.471 -3.835 -4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -25.022 -3.495 -3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -25.086 -0.506 -4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.455 -1.127 -3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -24.190 0.107 -3.261 1.00 0.00 H new ATOM 953 N ALA A 57 -22.518 -1.961 0.390 1.00 0.00 N ATOM 954 CA ALA A 57 -22.158 -2.465 1.709 1.00 0.00 C ATOM 955 C ALA A 57 -21.915 -3.970 1.673 1.00 0.00 C ATOM 956 O ALA A 57 -20.843 -4.444 2.048 1.00 0.00 O ATOM 957 CB ALA A 57 -23.245 -2.128 2.718 1.00 0.00 C ATOM 0 H ALA A 57 -23.517 -1.805 0.257 1.00 0.00 H new ATOM 0 HA ALA A 57 -21.231 -1.980 2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.962 -2.511 3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -23.368 -1.046 2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -24.184 -2.585 2.407 1.00 0.00 H new ATOM 963 N GLU A 58 -22.917 -4.717 1.220 1.00 0.00 N ATOM 964 CA GLU A 58 -22.811 -6.169 1.138 1.00 0.00 C ATOM 965 C GLU A 58 -21.426 -6.586 0.651 1.00 0.00 C ATOM 966 O GLU A 58 -20.674 -7.240 1.373 1.00 0.00 O ATOM 967 CB GLU A 58 -23.883 -6.728 0.201 1.00 0.00 C ATOM 968 CG GLU A 58 -25.302 -6.405 0.638 1.00 0.00 C ATOM 969 CD GLU A 58 -25.730 -7.195 1.859 1.00 0.00 C ATOM 970 OE1 GLU A 58 -25.261 -8.341 2.020 1.00 0.00 O ATOM 971 OE2 GLU A 58 -26.534 -6.666 2.655 1.00 0.00 O ATOM 0 H GLU A 58 -23.811 -4.341 0.904 1.00 0.00 H new ATOM 0 HA GLU A 58 -22.964 -6.577 2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -23.721 -6.330 -0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -23.769 -7.810 0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -25.378 -5.339 0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -25.988 -6.613 -0.184 1.00 0.00 H new ATOM 978 N ASP A 59 -21.098 -6.204 -0.579 1.00 0.00 N ATOM 979 CA ASP A 59 -19.804 -6.538 -1.163 1.00 0.00 C ATOM 980 C ASP A 59 -18.681 -6.330 -0.152 1.00 0.00 C ATOM 981 O ASP A 59 -17.840 -7.206 0.045 1.00 0.00 O ATOM 982 CB ASP A 59 -19.549 -5.688 -2.409 1.00 0.00 C ATOM 983 CG ASP A 59 -20.277 -6.216 -3.629 1.00 0.00 C ATOM 984 OD1 ASP A 59 -19.736 -7.123 -4.296 1.00 0.00 O ATOM 985 OD2 ASP A 59 -21.387 -5.722 -3.917 1.00 0.00 O ATOM 0 H ASP A 59 -21.710 -5.663 -1.190 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.822 -7.590 -1.447 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.865 -4.663 -2.217 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.479 -5.659 -2.613 1.00 0.00 H new ATOM 990 N ALA A 60 -18.675 -5.165 0.487 1.00 0.00 N ATOM 991 CA ALA A 60 -17.656 -4.842 1.478 1.00 0.00 C ATOM 992 C ALA A 60 -17.548 -5.940 2.531 1.00 0.00 C ATOM 993 O ALA A 60 -16.470 -6.484 2.767 1.00 0.00 O ATOM 994 CB ALA A 60 -17.964 -3.506 2.136 1.00 0.00 C ATOM 0 H ALA A 60 -19.365 -4.429 0.336 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.696 -4.769 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -17.195 -3.278 2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.983 -2.723 1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -18.935 -3.558 2.629 1.00 0.00 H new ATOM 1000 N ALA A 61 -18.673 -6.261 3.162 1.00 0.00 N ATOM 1001 CA ALA A 61 -18.705 -7.294 4.189 1.00 0.00 C ATOM 1002 C ALA A 61 -18.054 -8.581 3.693 1.00 0.00 C ATOM 1003 O ALA A 61 -17.278 -9.212 4.411 1.00 0.00 O ATOM 1004 CB ALA A 61 -20.138 -7.560 4.627 1.00 0.00 C ATOM 0 H ALA A 61 -19.574 -5.820 2.979 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.136 -6.936 5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -20.146 -8.334 5.394 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -20.571 -6.645 5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -20.725 -7.892 3.770 1.00 0.00 H new ATOM 1010 N ALA A 62 -18.375 -8.965 2.462 1.00 0.00 N ATOM 1011 CA ALA A 62 -17.820 -10.176 1.870 1.00 0.00 C ATOM 1012 C ALA A 62 -16.300 -10.096 1.779 1.00 0.00 C ATOM 1013 O ALA A 62 -15.600 -11.064 2.072 1.00 0.00 O ATOM 1014 CB ALA A 62 -18.422 -10.413 0.493 1.00 0.00 C ATOM 0 H ALA A 62 -19.017 -8.455 1.855 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.075 -11.017 2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -17.999 -11.320 0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -19.503 -10.524 0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -18.196 -9.565 -0.154 1.00 0.00 H new ATOM 1020 N ALA A 63 -15.797 -8.936 1.371 1.00 0.00 N ATOM 1021 CA ALA A 63 -14.360 -8.729 1.243 1.00 0.00 C ATOM 1022 C ALA A 63 -13.649 -8.976 2.569 1.00 0.00 C ATOM 1023 O ALA A 63 -12.588 -9.599 2.609 1.00 0.00 O ATOM 1024 CB ALA A 63 -14.071 -7.322 0.741 1.00 0.00 C ATOM 0 H ALA A 63 -16.364 -8.125 1.123 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.979 -9.447 0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.994 -7.182 0.650 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.539 -7.180 -0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.473 -6.594 1.446 1.00 0.00 H new ATOM 1030 N ILE A 64 -14.240 -8.483 3.652 1.00 0.00 N ATOM 1031 CA ILE A 64 -13.663 -8.651 4.980 1.00 0.00 C ATOM 1032 C ILE A 64 -13.573 -10.125 5.358 1.00 0.00 C ATOM 1033 O ILE A 64 -12.496 -10.630 5.678 1.00 0.00 O ATOM 1034 CB ILE A 64 -14.486 -7.908 6.049 1.00 0.00 C ATOM 1035 CG1 ILE A 64 -14.564 -6.416 5.719 1.00 0.00 C ATOM 1036 CG2 ILE A 64 -13.877 -8.120 7.427 1.00 0.00 C ATOM 1037 CD1 ILE A 64 -15.447 -5.633 6.665 1.00 0.00 C ATOM 0 H ILE A 64 -15.118 -7.964 3.636 1.00 0.00 H new ATOM 0 HA ILE A 64 -12.660 -8.226 4.944 1.00 0.00 H new ATOM 0 HB ILE A 64 -15.498 -8.313 6.054 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.559 -5.995 5.740 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.938 -6.296 4.702 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -14.469 -7.589 8.172 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.869 -9.184 7.661 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.856 -7.739 7.436 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.455 -4.584 6.371 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.462 -6.028 6.627 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -15.061 -5.722 7.681 1.00 0.00 H new ATOM 1049 N ASP A 65 -14.709 -10.812 5.316 1.00 0.00 N ATOM 1050 CA ASP A 65 -14.759 -12.230 5.651 1.00 0.00 C ATOM 1051 C ASP A 65 -13.663 -13.000 4.921 1.00 0.00 C ATOM 1052 O ASP A 65 -13.209 -14.044 5.386 1.00 0.00 O ATOM 1053 CB ASP A 65 -16.129 -12.812 5.300 1.00 0.00 C ATOM 1054 CG ASP A 65 -16.402 -14.121 6.012 1.00 0.00 C ATOM 1055 OD1 ASP A 65 -16.756 -14.083 7.210 1.00 0.00 O ATOM 1056 OD2 ASP A 65 -16.263 -15.185 5.373 1.00 0.00 O ATOM 0 H ASP A 65 -15.608 -10.409 5.053 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.595 -12.330 6.724 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -16.904 -12.091 5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.189 -12.968 4.223 1.00 0.00 H new ATOM 1061 N ASN A 66 -13.243 -12.476 3.774 1.00 0.00 N ATOM 1062 CA ASN A 66 -12.202 -13.115 2.977 1.00 0.00 C ATOM 1063 C ASN A 66 -10.842 -12.477 3.248 1.00 0.00 C ATOM 1064 O ASN A 66 -9.996 -13.058 3.926 1.00 0.00 O ATOM 1065 CB ASN A 66 -12.537 -13.016 1.488 1.00 0.00 C ATOM 1066 CG ASN A 66 -13.648 -13.964 1.081 1.00 0.00 C ATOM 1067 OD1 ASN A 66 -13.400 -14.999 0.461 1.00 0.00 O ATOM 1068 ND2 ASN A 66 -14.881 -13.615 1.430 1.00 0.00 N ATOM 0 H ASN A 66 -13.608 -11.611 3.376 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.154 -14.166 3.262 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.831 -11.993 1.252 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.644 -13.234 0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -15.669 -14.214 1.185 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.040 -12.748 1.943 1.00 0.00 H new ATOM 1075 N MET A 67 -10.641 -11.277 2.712 1.00 0.00 N ATOM 1076 CA MET A 67 -9.385 -10.559 2.897 1.00 0.00 C ATOM 1077 C MET A 67 -8.858 -10.742 4.317 1.00 0.00 C ATOM 1078 O MET A 67 -7.652 -10.846 4.533 1.00 0.00 O ATOM 1079 CB MET A 67 -9.575 -9.071 2.599 1.00 0.00 C ATOM 1080 CG MET A 67 -10.017 -8.788 1.172 1.00 0.00 C ATOM 1081 SD MET A 67 -9.038 -9.684 -0.049 1.00 0.00 S ATOM 1082 CE MET A 67 -7.415 -8.983 0.238 1.00 0.00 C ATOM 0 H MET A 67 -11.331 -10.782 2.147 1.00 0.00 H new ATOM 0 HA MET A 67 -8.654 -10.971 2.201 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.315 -8.663 3.287 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.638 -8.548 2.791 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.067 -9.059 1.060 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.942 -7.718 0.978 1.00 0.00 H new ATOM 0 HE1 MET A 67 -7.021 -8.583 -0.696 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.490 -8.182 0.973 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.745 -9.757 0.612 1.00 0.00 H new ATOM 1092 N ASN A 68 -9.772 -10.779 5.282 1.00 0.00 N ATOM 1093 CA ASN A 68 -9.398 -10.949 6.682 1.00 0.00 C ATOM 1094 C ASN A 68 -8.361 -12.056 6.838 1.00 0.00 C ATOM 1095 O ASN A 68 -8.625 -13.215 6.519 1.00 0.00 O ATOM 1096 CB ASN A 68 -10.634 -11.269 7.525 1.00 0.00 C ATOM 1097 CG ASN A 68 -10.274 -11.787 8.904 1.00 0.00 C ATOM 1098 OD1 ASN A 68 -10.384 -12.982 9.179 1.00 0.00 O ATOM 1099 ND2 ASN A 68 -9.840 -10.887 9.780 1.00 0.00 N ATOM 0 H ASN A 68 -10.776 -10.694 5.120 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.959 -10.014 7.032 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.245 -10.372 7.625 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.241 -12.012 7.008 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.582 -11.177 10.723 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.764 -9.907 9.509 1.00 0.00 H new ATOM 1106 N GLU A 69 -7.182 -11.691 7.330 1.00 0.00 N ATOM 1107 CA GLU A 69 -6.105 -12.654 7.528 1.00 0.00 C ATOM 1108 C GLU A 69 -5.764 -13.365 6.222 1.00 0.00 C ATOM 1109 O GLU A 69 -5.577 -14.581 6.195 1.00 0.00 O ATOM 1110 CB GLU A 69 -6.499 -13.680 8.592 1.00 0.00 C ATOM 1111 CG GLU A 69 -6.800 -13.065 9.949 1.00 0.00 C ATOM 1112 CD GLU A 69 -7.480 -14.039 10.892 1.00 0.00 C ATOM 1113 OE1 GLU A 69 -8.668 -14.351 10.668 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -6.823 -14.488 11.855 1.00 0.00 O ATOM 0 H GLU A 69 -6.948 -10.735 7.599 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.223 -12.110 7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.376 -14.229 8.249 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.692 -14.405 8.702 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.871 -12.717 10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.437 -12.191 9.814 1.00 0.00 H new ATOM 1121 N SER A 70 -5.686 -12.597 5.140 1.00 0.00 N ATOM 1122 CA SER A 70 -5.372 -13.153 3.829 1.00 0.00 C ATOM 1123 C SER A 70 -3.872 -13.092 3.558 1.00 0.00 C ATOM 1124 O SER A 70 -3.095 -12.658 4.407 1.00 0.00 O ATOM 1125 CB SER A 70 -6.130 -12.397 2.736 1.00 0.00 C ATOM 1126 OG SER A 70 -7.473 -12.842 2.645 1.00 0.00 O ATOM 0 H SER A 70 -5.836 -11.588 5.145 1.00 0.00 H new ATOM 0 HA SER A 70 -5.683 -14.198 3.821 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.111 -11.328 2.949 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.631 -12.540 1.778 1.00 0.00 H new ATOM 0 HG SER A 70 -7.753 -12.847 1.706 1.00 0.00 H new ATOM 1132 N GLU A 71 -3.474 -13.531 2.368 1.00 0.00 N ATOM 1133 CA GLU A 71 -2.067 -13.527 1.985 1.00 0.00 C ATOM 1134 C GLU A 71 -1.820 -12.565 0.826 1.00 0.00 C ATOM 1135 O GLU A 71 -2.354 -12.745 -0.269 1.00 0.00 O ATOM 1136 CB GLU A 71 -1.618 -14.937 1.595 1.00 0.00 C ATOM 1137 CG GLU A 71 -0.123 -15.054 1.350 1.00 0.00 C ATOM 1138 CD GLU A 71 0.312 -16.478 1.063 1.00 0.00 C ATOM 1139 OE1 GLU A 71 -0.507 -17.252 0.525 1.00 0.00 O ATOM 1140 OE2 GLU A 71 1.472 -16.818 1.376 1.00 0.00 O ATOM 0 H GLU A 71 -4.105 -13.893 1.653 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.485 -13.191 2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.904 -15.632 2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.150 -15.242 0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.155 -14.417 0.510 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.414 -14.683 2.223 1.00 0.00 H new ATOM 1147 N LEU A 72 -1.009 -11.543 1.076 1.00 0.00 N ATOM 1148 CA LEU A 72 -0.692 -10.551 0.055 1.00 0.00 C ATOM 1149 C LEU A 72 0.795 -10.210 0.070 1.00 0.00 C ATOM 1150 O LEU A 72 1.328 -9.755 1.083 1.00 0.00 O ATOM 1151 CB LEU A 72 -1.519 -9.283 0.273 1.00 0.00 C ATOM 1152 CG LEU A 72 -1.411 -8.215 -0.816 1.00 0.00 C ATOM 1153 CD1 LEU A 72 -2.071 -8.693 -2.100 1.00 0.00 C ATOM 1154 CD2 LEU A 72 -2.035 -6.909 -0.346 1.00 0.00 C ATOM 0 H LEU A 72 -0.559 -11.380 1.977 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.939 -10.976 -0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.566 -9.569 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.220 -8.837 1.222 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.355 -8.037 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.984 -7.920 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.578 -9.602 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.124 -8.901 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.949 -6.160 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.087 -7.072 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.516 -6.558 0.546 1.00 0.00 H new ATOM 1166 N PHE A 73 1.459 -10.432 -1.059 1.00 0.00 N ATOM 1167 CA PHE A 73 2.885 -10.147 -1.176 1.00 0.00 C ATOM 1168 C PHE A 73 3.692 -11.008 -0.209 1.00 0.00 C ATOM 1169 O PHE A 73 4.612 -10.524 0.449 1.00 0.00 O ATOM 1170 CB PHE A 73 3.154 -8.665 -0.906 1.00 0.00 C ATOM 1171 CG PHE A 73 2.972 -7.792 -2.114 1.00 0.00 C ATOM 1172 CD1 PHE A 73 1.780 -7.803 -2.819 1.00 0.00 C ATOM 1173 CD2 PHE A 73 3.994 -6.962 -2.545 1.00 0.00 C ATOM 1174 CE1 PHE A 73 1.608 -7.001 -3.932 1.00 0.00 C ATOM 1175 CE2 PHE A 73 3.828 -6.157 -3.657 1.00 0.00 C ATOM 1176 CZ PHE A 73 2.635 -6.177 -4.351 1.00 0.00 C ATOM 0 H PHE A 73 1.033 -10.808 -1.906 1.00 0.00 H new ATOM 0 HA PHE A 73 3.196 -10.385 -2.193 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.487 -8.321 -0.116 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.173 -8.551 -0.535 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.975 -8.446 -2.495 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.930 -6.943 -2.007 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.673 -7.019 -4.473 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.631 -5.513 -3.982 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.504 -5.549 -5.220 1.00 0.00 H new ATOM 1186 N GLY A 74 3.340 -12.287 -0.129 1.00 0.00 N ATOM 1187 CA GLY A 74 4.041 -13.195 0.760 1.00 0.00 C ATOM 1188 C GLY A 74 3.941 -12.776 2.214 1.00 0.00 C ATOM 1189 O GLY A 74 4.859 -13.012 2.999 1.00 0.00 O ATOM 0 H GLY A 74 2.582 -12.711 -0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.632 -14.199 0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.091 -13.244 0.471 1.00 0.00 H new ATOM 1193 N ARG A 75 2.824 -12.151 2.572 1.00 0.00 N ATOM 1194 CA ARG A 75 2.609 -11.695 3.940 1.00 0.00 C ATOM 1195 C ARG A 75 1.139 -11.819 4.330 1.00 0.00 C ATOM 1196 O ARG A 75 0.277 -12.053 3.481 1.00 0.00 O ATOM 1197 CB ARG A 75 3.069 -10.245 4.095 1.00 0.00 C ATOM 1198 CG ARG A 75 4.536 -10.032 3.761 1.00 0.00 C ATOM 1199 CD ARG A 75 4.869 -8.553 3.632 1.00 0.00 C ATOM 1200 NE ARG A 75 5.208 -7.954 4.920 1.00 0.00 N ATOM 1201 CZ ARG A 75 4.304 -7.487 5.773 1.00 0.00 C ATOM 1202 NH1 ARG A 75 3.013 -7.549 5.477 1.00 0.00 N ATOM 1203 NH2 ARG A 75 4.690 -6.955 6.926 1.00 0.00 N ATOM 0 H ARG A 75 2.054 -11.949 1.934 1.00 0.00 H new ATOM 0 HA ARG A 75 3.197 -12.328 4.604 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.462 -9.609 3.450 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.888 -9.923 5.121 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.156 -10.479 4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.776 -10.543 2.828 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.704 -8.428 2.943 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.018 -8.026 3.200 1.00 0.00 H new ATOM 0 HE ARG A 75 6.193 -7.891 5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.712 -7.956 4.592 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.321 -7.189 6.135 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.682 -6.905 7.158 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.995 -6.597 7.580 1.00 0.00 H new ATOM 1217 N THR A 76 0.858 -11.660 5.620 1.00 0.00 N ATOM 1218 CA THR A 76 -0.507 -11.755 6.122 1.00 0.00 C ATOM 1219 C THR A 76 -1.062 -10.378 6.470 1.00 0.00 C ATOM 1220 O THR A 76 -0.566 -9.710 7.378 1.00 0.00 O ATOM 1221 CB THR A 76 -0.585 -12.657 7.368 1.00 0.00 C ATOM 1222 OG1 THR A 76 -0.067 -13.957 7.065 1.00 0.00 O ATOM 1223 CG2 THR A 76 -2.019 -12.779 7.859 1.00 0.00 C ATOM 0 H THR A 76 1.558 -11.465 6.336 1.00 0.00 H new ATOM 0 HA THR A 76 -1.107 -12.195 5.325 1.00 0.00 H new ATOM 0 HB THR A 76 0.015 -12.202 8.156 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.119 -14.524 7.863 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.049 -13.421 8.740 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.401 -11.791 8.117 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.637 -13.213 7.073 1.00 0.00 H new ATOM 1231 N ILE A 77 -2.092 -9.960 5.743 1.00 0.00 N ATOM 1232 CA ILE A 77 -2.715 -8.663 5.977 1.00 0.00 C ATOM 1233 C ILE A 77 -4.022 -8.812 6.748 1.00 0.00 C ATOM 1234 O ILE A 77 -4.676 -9.853 6.686 1.00 0.00 O ATOM 1235 CB ILE A 77 -2.995 -7.926 4.653 1.00 0.00 C ATOM 1236 CG1 ILE A 77 -3.931 -8.754 3.771 1.00 0.00 C ATOM 1237 CG2 ILE A 77 -1.692 -7.635 3.924 1.00 0.00 C ATOM 1238 CD1 ILE A 77 -4.630 -7.942 2.703 1.00 0.00 C ATOM 0 H ILE A 77 -2.513 -10.500 4.987 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.011 -8.077 6.568 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.483 -6.978 4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.359 -9.550 3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.681 -9.233 4.400 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.906 -7.114 2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.056 -7.010 4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.179 -8.572 3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.277 -8.594 2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.230 -7.163 3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.887 -7.484 2.050 1.00 0.00 H new ATOM 1250 N ARG A 78 -4.397 -7.764 7.475 1.00 0.00 N ATOM 1251 CA ARG A 78 -5.626 -7.778 8.258 1.00 0.00 C ATOM 1252 C ARG A 78 -6.685 -6.881 7.624 1.00 0.00 C ATOM 1253 O ARG A 78 -6.370 -5.833 7.061 1.00 0.00 O ATOM 1254 CB ARG A 78 -5.347 -7.321 9.691 1.00 0.00 C ATOM 1255 CG ARG A 78 -6.456 -7.675 10.670 1.00 0.00 C ATOM 1256 CD ARG A 78 -6.231 -9.043 11.295 1.00 0.00 C ATOM 1257 NE ARG A 78 -5.054 -9.063 12.159 1.00 0.00 N ATOM 1258 CZ ARG A 78 -5.065 -8.664 13.426 1.00 0.00 C ATOM 1259 NH1 ARG A 78 -6.187 -8.216 13.974 1.00 0.00 N ATOM 1260 NH2 ARG A 78 -3.953 -8.712 14.148 1.00 0.00 N ATOM 0 H ARG A 78 -3.867 -6.895 7.538 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.004 -8.800 8.276 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.415 -7.772 10.032 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.200 -6.241 9.697 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.506 -6.919 11.454 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.416 -7.663 10.154 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.110 -9.326 11.874 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.115 -9.787 10.507 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.175 -9.402 11.768 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.044 -8.177 13.422 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.193 -7.910 14.947 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.088 -9.056 13.730 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.963 -8.405 15.121 1.00 0.00 H new ATOM 1274 N VAL A 79 -7.943 -7.302 7.718 1.00 0.00 N ATOM 1275 CA VAL A 79 -9.049 -6.537 7.154 1.00 0.00 C ATOM 1276 C VAL A 79 -10.216 -6.458 8.131 1.00 0.00 C ATOM 1277 O VAL A 79 -10.588 -7.452 8.752 1.00 0.00 O ATOM 1278 CB VAL A 79 -9.541 -7.154 5.832 1.00 0.00 C ATOM 1279 CG1 VAL A 79 -10.756 -6.402 5.311 1.00 0.00 C ATOM 1280 CG2 VAL A 79 -8.424 -7.161 4.799 1.00 0.00 C ATOM 0 H VAL A 79 -8.221 -8.168 8.179 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.673 -5.533 6.959 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.836 -8.186 6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.089 -6.852 4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.559 -6.455 6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.491 -5.359 5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.789 -7.601 3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.095 -6.139 4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.586 -7.749 5.173 1.00 0.00 H new ATOM 1290 N ASN A 80 -10.791 -5.267 8.262 1.00 0.00 N ATOM 1291 CA ASN A 80 -11.918 -5.056 9.164 1.00 0.00 C ATOM 1292 C ASN A 80 -12.529 -3.674 8.959 1.00 0.00 C ATOM 1293 O ASN A 80 -11.926 -2.804 8.328 1.00 0.00 O ATOM 1294 CB ASN A 80 -11.470 -5.218 10.618 1.00 0.00 C ATOM 1295 CG ASN A 80 -12.620 -5.073 11.596 1.00 0.00 C ATOM 1296 OD1 ASN A 80 -12.788 -4.028 12.224 1.00 0.00 O ATOM 1297 ND2 ASN A 80 -13.419 -6.126 11.730 1.00 0.00 N ATOM 0 H ASN A 80 -10.495 -4.433 7.755 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.677 -5.805 8.938 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.009 -6.197 10.746 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.707 -4.474 10.845 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -14.209 -6.088 12.374 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -13.242 -6.972 11.189 1.00 0.00 H new ATOM 1304 N LEU A 81 -13.727 -3.477 9.496 1.00 0.00 N ATOM 1305 CA LEU A 81 -14.421 -2.199 9.373 1.00 0.00 C ATOM 1306 C LEU A 81 -13.527 -1.049 9.825 1.00 0.00 C ATOM 1307 O LEU A 81 -12.844 -1.144 10.844 1.00 0.00 O ATOM 1308 CB LEU A 81 -15.709 -2.214 10.198 1.00 0.00 C ATOM 1309 CG LEU A 81 -16.817 -3.141 9.696 1.00 0.00 C ATOM 1310 CD1 LEU A 81 -17.950 -3.215 10.707 1.00 0.00 C ATOM 1311 CD2 LEU A 81 -17.336 -2.668 8.345 1.00 0.00 C ATOM 0 H LEU A 81 -14.239 -4.186 10.021 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.672 -2.049 8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.459 -2.500 11.220 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -16.103 -1.198 10.238 1.00 0.00 H new ATOM 0 HG LEU A 81 -16.400 -4.141 9.574 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -18.729 -3.879 10.333 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -17.569 -3.600 11.653 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -18.365 -2.219 10.861 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -18.124 -3.339 8.003 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -17.736 -1.659 8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -16.520 -2.667 7.622 1.00 0.00 H new ATOM 1323 N ALA A 82 -13.539 0.038 9.061 1.00 0.00 N ATOM 1324 CA ALA A 82 -12.733 1.209 9.386 1.00 0.00 C ATOM 1325 C ALA A 82 -13.106 1.770 10.754 1.00 0.00 C ATOM 1326 O ALA A 82 -14.285 1.928 11.071 1.00 0.00 O ATOM 1327 CB ALA A 82 -12.895 2.275 8.313 1.00 0.00 C ATOM 0 H ALA A 82 -14.098 0.132 8.213 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.688 0.902 9.422 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.288 3.144 8.568 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.571 1.876 7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.942 2.571 8.249 1.00 0.00 H new