USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 847 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 18 SER OG : rot 180:sc= 0.00569 USER MOD Single : A 19 MET CE :methyl -114:sc= -0.0245 (180deg=-0.284) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -91:sc= -0.0126 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -3.58 K(o=-3.6,f=-4.3!) USER MOD Single : A 38 THR OG1 : rot -130:sc= -1.74! USER MOD Single : A 40 SER OG : rot 10:sc= 0.886 USER MOD Single : A 42 MET CE :methyl 180:sc= -0.0383 (180deg=-0.0383) USER MOD Single : A 43 GLN : amide:sc= -0.0885 K(o=-0.088,f=-1!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -2.05 K(o=-2,f=-3.9!) USER MOD Single : A 68 SER OG : rot -68:sc= -5.92! USER MOD Single : A 69 TYR OH : rot 15:sc= -1.25 USER MOD Single : A 79 ASN : amide:sc= -9.78! C(o=-9.8!,f=-9.9!) USER MOD Single : A 86 THR OG1 : rot -138:sc= -1.73! USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0541 USER MOD Single : A 90 SER OG : rot 120:sc= -0.193 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 127:sc= -1.74! USER MOD Single : A 97 TYR OH : rot 95:sc= 0.711 USER MOD Single : A 98 SER OG : rot 100:sc= -0.156! USER MOD Single : A 99 ASN : amide:sc= -1.37 K(o=-1.4,f=-0.071) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.43! USER MOD Single : A 105 LYS NZ :NH3+ -135:sc= -0.384 (180deg=-1.97!) USER MOD Single : A 110 SER OG : rot -128:sc= -7.09! USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 8 3.860 13.903 5.945 1.00 0.00 N ATOM 109 CA ARG A 8 3.870 12.906 4.845 1.00 0.00 C ATOM 110 C ARG A 8 4.028 11.511 5.424 1.00 0.00 C ATOM 111 O ARG A 8 4.848 11.271 6.288 1.00 0.00 O ATOM 112 CB ARG A 8 5.078 13.273 3.981 1.00 0.00 C ATOM 113 CG ARG A 8 5.019 14.760 3.612 1.00 0.00 C ATOM 114 CD ARG A 8 3.584 15.163 3.247 1.00 0.00 C ATOM 115 NE ARG A 8 3.094 14.096 2.327 1.00 0.00 N ATOM 116 CZ ARG A 8 1.920 14.202 1.769 1.00 0.00 C ATOM 117 NH1 ARG A 8 1.632 15.257 1.058 1.00 0.00 N ATOM 118 NH2 ARG A 8 1.037 13.252 1.922 1.00 0.00 N ATOM 0 HA ARG A 8 2.947 12.913 4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.001 13.059 4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.088 12.664 3.077 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.371 15.363 4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.685 14.960 2.772 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.958 15.233 4.136 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.561 16.140 2.763 1.00 0.00 H new ATOM 0 HE ARG A 8 3.678 13.282 2.134 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.324 15.997 0.939 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.715 15.342 0.621 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.266 12.428 2.478 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.119 13.334 1.486 1.00 0.00 H new ATOM 132 N LEU A 9 3.245 10.589 4.961 1.00 0.00 N ATOM 133 CA LEU A 9 3.341 9.215 5.485 1.00 0.00 C ATOM 134 C LEU A 9 4.098 8.339 4.494 1.00 0.00 C ATOM 135 O LEU A 9 4.357 8.742 3.381 1.00 0.00 O ATOM 136 CB LEU A 9 1.900 8.748 5.625 1.00 0.00 C ATOM 137 CG LEU A 9 1.396 9.043 7.039 1.00 0.00 C ATOM 138 CD1 LEU A 9 1.799 10.461 7.450 1.00 0.00 C ATOM 139 CD2 LEU A 9 -0.129 8.924 7.066 1.00 0.00 C ATOM 0 H LEU A 9 2.540 10.731 4.238 1.00 0.00 H new ATOM 0 HA LEU A 9 3.876 9.163 6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.271 9.253 4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.833 7.680 5.420 1.00 0.00 H new ATOM 0 HG LEU A 9 1.836 8.328 7.734 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.437 10.664 8.458 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.885 10.551 7.430 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.362 11.179 6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.493 9.133 8.072 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.562 9.640 6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.420 7.914 6.778 1.00 0.00 H new ATOM 151 N ARG A 10 4.449 7.142 4.872 1.00 0.00 N ATOM 152 CA ARG A 10 5.185 6.269 3.913 1.00 0.00 C ATOM 153 C ARG A 10 4.272 5.134 3.449 1.00 0.00 C ATOM 154 O ARG A 10 3.427 4.660 4.182 1.00 0.00 O ATOM 155 CB ARG A 10 6.416 5.698 4.653 1.00 0.00 C ATOM 156 CG ARG A 10 6.388 6.020 6.156 1.00 0.00 C ATOM 157 CD ARG A 10 6.636 7.517 6.373 1.00 0.00 C ATOM 158 NE ARG A 10 8.116 7.654 6.464 1.00 0.00 N ATOM 159 CZ ARG A 10 8.770 7.081 7.439 1.00 0.00 C ATOM 160 NH1 ARG A 10 8.779 7.626 8.627 1.00 0.00 N ATOM 161 NH2 ARG A 10 9.417 5.968 7.226 1.00 0.00 N ATOM 0 H ARG A 10 4.263 6.734 5.788 1.00 0.00 H new ATOM 0 HA ARG A 10 5.501 6.833 3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.452 4.617 4.515 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.325 6.107 4.212 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.424 5.737 6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.148 5.437 6.676 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.235 8.107 5.549 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.150 7.870 7.283 1.00 0.00 H new ATOM 0 HE ARG A 10 8.621 8.197 5.763 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.276 8.498 8.792 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.289 7.180 9.389 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.412 5.545 6.298 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.927 5.521 7.988 1.00 0.00 H new ATOM 175 N VAL A 11 4.434 4.691 2.238 1.00 0.00 N ATOM 176 CA VAL A 11 3.577 3.583 1.740 1.00 0.00 C ATOM 177 C VAL A 11 4.444 2.360 1.441 1.00 0.00 C ATOM 178 O VAL A 11 4.980 2.218 0.359 1.00 0.00 O ATOM 179 CB VAL A 11 2.928 4.117 0.461 1.00 0.00 C ATOM 180 CG1 VAL A 11 2.143 5.392 0.778 1.00 0.00 C ATOM 181 CG2 VAL A 11 4.014 4.432 -0.568 1.00 0.00 C ATOM 0 H VAL A 11 5.120 5.046 1.572 1.00 0.00 H new ATOM 0 HA VAL A 11 2.825 3.276 2.467 1.00 0.00 H new ATOM 0 HB VAL A 11 2.250 3.364 0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.681 5.771 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.368 5.169 1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.820 6.145 1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.552 4.812 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.692 5.184 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.573 3.525 -0.796 1.00 0.00 H new ATOM 191 N LEU A 12 4.583 1.469 2.386 1.00 0.00 N ATOM 192 CA LEU A 12 5.413 0.260 2.133 1.00 0.00 C ATOM 193 C LEU A 12 4.703 -0.596 1.096 1.00 0.00 C ATOM 194 O LEU A 12 3.989 -1.522 1.412 1.00 0.00 O ATOM 195 CB LEU A 12 5.494 -0.458 3.481 1.00 0.00 C ATOM 196 CG LEU A 12 6.895 -0.274 4.066 1.00 0.00 C ATOM 197 CD1 LEU A 12 7.233 1.215 4.128 1.00 0.00 C ATOM 198 CD2 LEU A 12 6.947 -0.857 5.476 1.00 0.00 C ATOM 0 H LEU A 12 4.161 1.526 3.313 1.00 0.00 H new ATOM 0 HA LEU A 12 6.410 0.486 1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.746 -0.058 4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.276 -1.519 3.355 1.00 0.00 H new ATOM 0 HG LEU A 12 7.616 -0.789 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.232 1.344 4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.202 1.637 3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.507 1.727 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.947 -0.723 5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.222 -0.344 6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.709 -1.920 5.439 1.00 0.00 H new ATOM 210 N VAL A 13 4.887 -0.278 -0.147 1.00 0.00 N ATOM 211 CA VAL A 13 4.201 -1.054 -1.211 1.00 0.00 C ATOM 212 C VAL A 13 5.137 -2.086 -1.816 1.00 0.00 C ATOM 213 O VAL A 13 6.340 -2.021 -1.674 1.00 0.00 O ATOM 214 CB VAL A 13 3.714 -0.031 -2.243 1.00 0.00 C ATOM 215 CG1 VAL A 13 2.601 0.818 -1.631 1.00 0.00 C ATOM 216 CG2 VAL A 13 4.855 0.886 -2.663 1.00 0.00 C ATOM 0 H VAL A 13 5.481 0.484 -0.475 1.00 0.00 H new ATOM 0 HA VAL A 13 3.357 -1.621 -0.817 1.00 0.00 H new ATOM 0 HB VAL A 13 3.344 -0.568 -3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.254 1.546 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.772 0.174 -1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.982 1.340 -0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.492 1.606 -3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.235 1.417 -1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.656 0.292 -3.104 1.00 0.00 H new ATOM 226 N VAL A 14 4.579 -3.077 -2.440 1.00 0.00 N ATOM 227 CA VAL A 14 5.417 -4.160 -3.002 1.00 0.00 C ATOM 228 C VAL A 14 4.566 -5.045 -3.933 1.00 0.00 C ATOM 229 O VAL A 14 3.382 -5.255 -3.700 1.00 0.00 O ATOM 230 CB VAL A 14 5.868 -4.902 -1.732 1.00 0.00 C ATOM 231 CG1 VAL A 14 5.864 -6.416 -1.941 1.00 0.00 C ATOM 232 CG2 VAL A 14 7.273 -4.436 -1.321 1.00 0.00 C ATOM 0 H VAL A 14 3.575 -3.184 -2.585 1.00 0.00 H new ATOM 0 HA VAL A 14 6.257 -3.829 -3.613 1.00 0.00 H new ATOM 0 HB VAL A 14 5.160 -4.667 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.188 -6.911 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.857 -6.746 -2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.545 -6.673 -2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.584 -4.967 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.976 -4.646 -2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.257 -3.364 -1.123 1.00 0.00 H new ATOM 242 N GLU A 15 5.144 -5.562 -4.992 1.00 0.00 N ATOM 243 CA GLU A 15 4.333 -6.417 -5.909 1.00 0.00 C ATOM 244 C GLU A 15 5.157 -6.959 -7.094 1.00 0.00 C ATOM 245 O GLU A 15 5.059 -8.121 -7.433 1.00 0.00 O ATOM 246 CB GLU A 15 3.197 -5.488 -6.369 1.00 0.00 C ATOM 247 CG GLU A 15 3.322 -5.134 -7.858 1.00 0.00 C ATOM 248 CD GLU A 15 2.246 -4.111 -8.224 1.00 0.00 C ATOM 249 OE1 GLU A 15 1.555 -3.662 -7.324 1.00 0.00 O ATOM 250 OE2 GLU A 15 2.132 -3.793 -9.396 1.00 0.00 O ATOM 0 H GLU A 15 6.121 -5.432 -5.255 1.00 0.00 H new ATOM 0 HA GLU A 15 3.964 -7.316 -5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.236 -5.971 -6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.211 -4.574 -5.775 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.312 -4.728 -8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.211 -6.031 -8.468 1.00 0.00 H new ATOM 257 N ASP A 16 5.946 -6.141 -7.738 1.00 0.00 N ATOM 258 CA ASP A 16 6.729 -6.647 -8.895 1.00 0.00 C ATOM 259 C ASP A 16 7.926 -5.747 -9.199 1.00 0.00 C ATOM 260 O ASP A 16 7.788 -4.599 -9.566 1.00 0.00 O ATOM 261 CB ASP A 16 5.752 -6.654 -10.062 1.00 0.00 C ATOM 262 CG ASP A 16 6.485 -7.059 -11.342 1.00 0.00 C ATOM 263 OD1 ASP A 16 7.203 -8.044 -11.304 1.00 0.00 O ATOM 264 OD2 ASP A 16 6.313 -6.378 -12.340 1.00 0.00 O ATOM 0 H ASP A 16 6.080 -5.155 -7.514 1.00 0.00 H new ATOM 0 HA ASP A 16 7.141 -7.636 -8.695 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.936 -7.349 -9.862 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.307 -5.666 -10.183 1.00 0.00 H new ATOM 269 N GLU A 17 9.089 -6.304 -9.040 1.00 0.00 N ATOM 270 CA GLU A 17 10.383 -5.593 -9.290 1.00 0.00 C ATOM 271 C GLU A 17 10.233 -4.148 -9.808 1.00 0.00 C ATOM 272 O GLU A 17 10.141 -3.214 -9.036 1.00 0.00 O ATOM 273 CB GLU A 17 11.096 -6.456 -10.332 1.00 0.00 C ATOM 274 CG GLU A 17 11.522 -7.780 -9.694 1.00 0.00 C ATOM 275 CD GLU A 17 13.042 -7.930 -9.790 1.00 0.00 C ATOM 276 OE1 GLU A 17 13.729 -6.948 -9.561 1.00 0.00 O ATOM 277 OE2 GLU A 17 13.492 -9.023 -10.092 1.00 0.00 O ATOM 0 H GLU A 17 9.206 -7.269 -8.732 1.00 0.00 H new ATOM 0 HA GLU A 17 10.929 -5.480 -8.353 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.435 -6.644 -11.178 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.968 -5.930 -10.720 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.209 -7.810 -8.650 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.032 -8.613 -10.198 1.00 0.00 H new ATOM 284 N SER A 18 10.277 -3.949 -11.105 1.00 0.00 N ATOM 285 CA SER A 18 10.214 -2.554 -11.654 1.00 0.00 C ATOM 286 C SER A 18 8.784 -2.067 -11.928 1.00 0.00 C ATOM 287 O SER A 18 8.572 -0.896 -12.175 1.00 0.00 O ATOM 288 CB SER A 18 11.007 -2.611 -12.958 1.00 0.00 C ATOM 289 OG SER A 18 10.383 -3.524 -13.850 1.00 0.00 O ATOM 0 H SER A 18 10.353 -4.687 -11.805 1.00 0.00 H new ATOM 0 HA SER A 18 10.617 -1.847 -10.929 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.057 -1.620 -13.410 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.032 -2.923 -12.760 1.00 0.00 H new ATOM 0 HG SER A 18 10.890 -3.561 -14.688 1.00 0.00 H new ATOM 295 N MET A 19 7.801 -2.915 -11.888 1.00 0.00 N ATOM 296 CA MET A 19 6.419 -2.415 -12.145 1.00 0.00 C ATOM 297 C MET A 19 6.019 -1.481 -11.003 1.00 0.00 C ATOM 298 O MET A 19 5.811 -0.297 -11.186 1.00 0.00 O ATOM 299 CB MET A 19 5.534 -3.657 -12.161 1.00 0.00 C ATOM 300 CG MET A 19 4.067 -3.230 -12.203 1.00 0.00 C ATOM 301 SD MET A 19 3.018 -4.695 -12.373 1.00 0.00 S ATOM 302 CE MET A 19 3.237 -4.924 -14.154 1.00 0.00 C ATOM 0 H MET A 19 7.885 -3.913 -11.693 1.00 0.00 H new ATOM 0 HA MET A 19 6.332 -1.861 -13.080 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.770 -4.275 -13.027 1.00 0.00 H new ATOM 0 HB3 MET A 19 5.723 -4.264 -11.276 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.809 -2.688 -11.293 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.899 -2.550 -13.038 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.288 -4.754 -14.662 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.979 -4.216 -14.523 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.577 -5.941 -14.351 1.00 0.00 H new ATOM 312 N ILE A 20 5.939 -2.017 -9.823 1.00 0.00 N ATOM 313 CA ILE A 20 5.585 -1.202 -8.625 1.00 0.00 C ATOM 314 C ILE A 20 6.633 -0.105 -8.413 1.00 0.00 C ATOM 315 O ILE A 20 6.359 0.937 -7.850 1.00 0.00 O ATOM 316 CB ILE A 20 5.645 -2.220 -7.494 1.00 0.00 C ATOM 317 CG1 ILE A 20 5.321 -1.560 -6.153 1.00 0.00 C ATOM 318 CG2 ILE A 20 7.055 -2.797 -7.435 1.00 0.00 C ATOM 319 CD1 ILE A 20 4.009 -2.129 -5.595 1.00 0.00 C ATOM 0 H ILE A 20 6.107 -3.004 -9.630 1.00 0.00 H new ATOM 0 HA ILE A 20 4.620 -0.701 -8.703 1.00 0.00 H new ATOM 0 HB ILE A 20 4.912 -3.005 -7.682 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.133 -1.734 -5.447 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.235 -0.481 -6.280 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.115 -3.529 -6.629 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.290 -3.281 -8.383 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.769 -1.994 -7.250 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.784 -1.655 -4.640 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.199 -1.932 -6.298 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.111 -3.205 -5.451 1.00 0.00 H new ATOM 331 N ALA A 21 7.836 -0.349 -8.856 1.00 0.00 N ATOM 332 CA ALA A 21 8.931 0.652 -8.690 1.00 0.00 C ATOM 333 C ALA A 21 8.474 2.043 -9.137 1.00 0.00 C ATOM 334 O ALA A 21 7.976 2.819 -8.349 1.00 0.00 O ATOM 335 CB ALA A 21 10.043 0.140 -9.592 1.00 0.00 C ATOM 0 H ALA A 21 8.111 -1.209 -9.331 1.00 0.00 H new ATOM 0 HA ALA A 21 9.245 0.755 -7.651 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.897 0.815 -9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.346 -0.855 -9.267 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.685 0.092 -10.620 1.00 0.00 H new ATOM 341 N MET A 22 8.631 2.367 -10.396 1.00 0.00 N ATOM 342 CA MET A 22 8.187 3.709 -10.877 1.00 0.00 C ATOM 343 C MET A 22 6.813 4.019 -10.282 1.00 0.00 C ATOM 344 O MET A 22 6.434 5.159 -10.097 1.00 0.00 O ATOM 345 CB MET A 22 8.098 3.575 -12.398 1.00 0.00 C ATOM 346 CG MET A 22 8.451 4.913 -13.051 1.00 0.00 C ATOM 347 SD MET A 22 10.217 4.944 -13.445 1.00 0.00 S ATOM 348 CE MET A 22 10.190 6.426 -14.483 1.00 0.00 C ATOM 0 H MET A 22 9.045 1.764 -11.107 1.00 0.00 H new ATOM 0 HA MET A 22 8.863 4.513 -10.587 1.00 0.00 H new ATOM 0 HB2 MET A 22 8.779 2.798 -12.745 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.092 3.271 -12.688 1.00 0.00 H new ATOM 0 HG2 MET A 22 7.863 5.054 -13.958 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.203 5.735 -12.379 1.00 0.00 H new ATOM 0 HE1 MET A 22 11.197 6.636 -14.843 1.00 0.00 H new ATOM 0 HE2 MET A 22 9.527 6.263 -15.333 1.00 0.00 H new ATOM 0 HE3 MET A 22 9.829 7.273 -13.899 1.00 0.00 H new ATOM 358 N LEU A 23 6.076 2.991 -9.979 1.00 0.00 N ATOM 359 CA LEU A 23 4.723 3.154 -9.385 1.00 0.00 C ATOM 360 C LEU A 23 4.816 3.737 -7.971 1.00 0.00 C ATOM 361 O LEU A 23 3.821 4.091 -7.370 1.00 0.00 O ATOM 362 CB LEU A 23 4.205 1.726 -9.317 1.00 0.00 C ATOM 363 CG LEU A 23 2.733 1.671 -9.698 1.00 0.00 C ATOM 364 CD1 LEU A 23 2.275 0.216 -9.619 1.00 0.00 C ATOM 365 CD2 LEU A 23 1.920 2.529 -8.723 1.00 0.00 C ATOM 0 H LEU A 23 6.361 2.022 -10.121 1.00 0.00 H new ATOM 0 HA LEU A 23 4.087 3.829 -9.958 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.784 1.091 -9.988 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.340 1.332 -8.310 1.00 0.00 H new ATOM 0 HG LEU A 23 2.586 2.054 -10.708 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.221 0.151 -9.888 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.864 -0.389 -10.309 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.413 -0.154 -8.603 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.865 2.490 -8.996 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.047 2.148 -7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.268 3.561 -8.769 1.00 0.00 H new ATOM 377 N ILE A 24 5.999 3.821 -7.429 1.00 0.00 N ATOM 378 CA ILE A 24 6.145 4.361 -6.046 1.00 0.00 C ATOM 379 C ILE A 24 6.839 5.720 -6.063 1.00 0.00 C ATOM 380 O ILE A 24 6.581 6.568 -5.232 1.00 0.00 O ATOM 381 CB ILE A 24 6.995 3.328 -5.301 1.00 0.00 C ATOM 382 CG1 ILE A 24 6.882 3.571 -3.796 1.00 0.00 C ATOM 383 CG2 ILE A 24 8.465 3.446 -5.715 1.00 0.00 C ATOM 384 CD1 ILE A 24 7.450 2.366 -3.047 1.00 0.00 C ATOM 0 H ILE A 24 6.869 3.540 -7.881 1.00 0.00 H new ATOM 0 HA ILE A 24 5.178 4.516 -5.567 1.00 0.00 H new ATOM 0 HB ILE A 24 6.633 2.331 -5.550 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.425 4.475 -3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.840 3.728 -3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.055 2.705 -5.176 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.556 3.273 -6.787 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.831 4.445 -5.476 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.371 2.535 -1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.887 1.472 -3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.497 2.230 -3.317 1.00 0.00 H new ATOM 396 N GLU A 25 7.710 5.946 -7.002 1.00 0.00 N ATOM 397 CA GLU A 25 8.401 7.262 -7.055 1.00 0.00 C ATOM 398 C GLU A 25 7.495 8.280 -7.751 1.00 0.00 C ATOM 399 O GLU A 25 7.602 9.472 -7.543 1.00 0.00 O ATOM 400 CB GLU A 25 9.681 7.005 -7.852 1.00 0.00 C ATOM 401 CG GLU A 25 10.517 5.939 -7.130 1.00 0.00 C ATOM 402 CD GLU A 25 11.986 6.369 -7.103 1.00 0.00 C ATOM 403 OE1 GLU A 25 12.549 6.552 -8.170 1.00 0.00 O ATOM 404 OE2 GLU A 25 12.522 6.505 -6.017 1.00 0.00 O ATOM 0 H GLU A 25 7.973 5.282 -7.731 1.00 0.00 H new ATOM 0 HA GLU A 25 8.631 7.668 -6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.436 6.671 -8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.253 7.927 -7.952 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.149 5.801 -6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.418 4.979 -7.637 1.00 0.00 H new ATOM 411 N ASP A 26 6.584 7.809 -8.559 1.00 0.00 N ATOM 412 CA ASP A 26 5.647 8.733 -9.256 1.00 0.00 C ATOM 413 C ASP A 26 4.407 8.956 -8.382 1.00 0.00 C ATOM 414 O ASP A 26 3.965 10.072 -8.188 1.00 0.00 O ATOM 415 CB ASP A 26 5.286 8.018 -10.566 1.00 0.00 C ATOM 416 CG ASP A 26 4.179 6.989 -10.320 1.00 0.00 C ATOM 417 OD1 ASP A 26 4.378 6.122 -9.485 1.00 0.00 O ATOM 418 OD2 ASP A 26 3.151 7.085 -10.971 1.00 0.00 O ATOM 0 H ASP A 26 6.449 6.820 -8.766 1.00 0.00 H new ATOM 0 HA ASP A 26 6.080 9.715 -9.449 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.957 8.746 -11.307 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.168 7.524 -10.974 1.00 0.00 H new ATOM 423 N THR A 27 3.856 7.903 -7.838 1.00 0.00 N ATOM 424 CA THR A 27 2.665 8.061 -6.963 1.00 0.00 C ATOM 425 C THR A 27 3.035 8.974 -5.797 1.00 0.00 C ATOM 426 O THR A 27 2.272 9.827 -5.388 1.00 0.00 O ATOM 427 CB THR A 27 2.334 6.651 -6.470 1.00 0.00 C ATOM 428 OG1 THR A 27 3.514 6.037 -5.970 1.00 0.00 O ATOM 429 CG2 THR A 27 1.775 5.820 -7.628 1.00 0.00 C ATOM 0 H THR A 27 4.181 6.944 -7.963 1.00 0.00 H new ATOM 0 HA THR A 27 1.812 8.504 -7.476 1.00 0.00 H new ATOM 0 HB THR A 27 1.589 6.709 -5.676 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.957 5.543 -6.691 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.540 4.816 -7.275 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.870 6.292 -8.010 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.517 5.760 -8.424 1.00 0.00 H new ATOM 437 N LEU A 28 4.221 8.813 -5.277 1.00 0.00 N ATOM 438 CA LEU A 28 4.669 9.683 -4.159 1.00 0.00 C ATOM 439 C LEU A 28 4.789 11.116 -4.679 1.00 0.00 C ATOM 440 O LEU A 28 4.412 12.062 -4.016 1.00 0.00 O ATOM 441 CB LEU A 28 6.031 9.110 -3.747 1.00 0.00 C ATOM 442 CG LEU A 28 6.870 10.168 -3.017 1.00 0.00 C ATOM 443 CD1 LEU A 28 6.987 9.801 -1.537 1.00 0.00 C ATOM 444 CD2 LEU A 28 8.267 10.212 -3.642 1.00 0.00 C ATOM 0 H LEU A 28 4.899 8.114 -5.581 1.00 0.00 H new ATOM 0 HA LEU A 28 3.985 9.706 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.886 8.245 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.566 8.761 -4.630 1.00 0.00 H new ATOM 0 HG LEU A 28 6.391 11.143 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.583 10.554 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.992 9.759 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.469 8.828 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.871 10.961 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.740 9.235 -3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.185 10.471 -4.698 1.00 0.00 H new ATOM 456 N CYS A 29 5.299 11.283 -5.870 1.00 0.00 N ATOM 457 CA CYS A 29 5.422 12.655 -6.434 1.00 0.00 C ATOM 458 C CYS A 29 4.053 13.341 -6.410 1.00 0.00 C ATOM 459 O CYS A 29 3.948 14.534 -6.204 1.00 0.00 O ATOM 460 CB CYS A 29 5.899 12.454 -7.873 1.00 0.00 C ATOM 461 SG CYS A 29 7.135 13.712 -8.278 1.00 0.00 S ATOM 0 H CYS A 29 5.634 10.532 -6.473 1.00 0.00 H new ATOM 0 HA CYS A 29 6.111 13.282 -5.868 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.326 11.458 -7.990 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.056 12.522 -8.560 1.00 0.00 H new ATOM 0 HG CYS A 29 7.543 13.541 -9.500 1.00 0.00 H new ATOM 467 N GLU A 30 3.003 12.590 -6.617 1.00 0.00 N ATOM 468 CA GLU A 30 1.641 13.186 -6.603 1.00 0.00 C ATOM 469 C GLU A 30 1.103 13.234 -5.171 1.00 0.00 C ATOM 470 O GLU A 30 0.678 14.266 -4.690 1.00 0.00 O ATOM 471 CB GLU A 30 0.788 12.250 -7.466 1.00 0.00 C ATOM 472 CG GLU A 30 0.622 12.853 -8.862 1.00 0.00 C ATOM 473 CD GLU A 30 1.943 12.748 -9.624 1.00 0.00 C ATOM 474 OE1 GLU A 30 2.763 13.639 -9.476 1.00 0.00 O ATOM 475 OE2 GLU A 30 2.113 11.777 -10.343 1.00 0.00 O ATOM 0 H GLU A 30 3.034 11.586 -6.796 1.00 0.00 H new ATOM 0 HA GLU A 30 1.633 14.208 -6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.261 11.270 -7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.188 12.101 -7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.165 12.330 -9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.316 13.896 -8.785 1.00 0.00 H new ATOM 482 N LEU A 31 1.121 12.124 -4.485 1.00 0.00 N ATOM 483 CA LEU A 31 0.612 12.104 -3.084 1.00 0.00 C ATOM 484 C LEU A 31 1.518 12.945 -2.182 1.00 0.00 C ATOM 485 O LEU A 31 1.075 13.866 -1.524 1.00 0.00 O ATOM 486 CB LEU A 31 0.667 10.635 -2.667 1.00 0.00 C ATOM 487 CG LEU A 31 -0.646 9.946 -3.041 1.00 0.00 C ATOM 488 CD1 LEU A 31 -0.984 10.247 -4.502 1.00 0.00 C ATOM 489 CD2 LEU A 31 -0.494 8.436 -2.854 1.00 0.00 C ATOM 0 H LEU A 31 1.466 11.230 -4.834 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.393 12.517 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.503 10.138 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.837 10.557 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.447 10.316 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.920 9.755 -4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.088 11.324 -4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.185 9.877 -5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.428 7.941 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.307 8.069 -3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.252 8.221 -1.813 1.00 0.00 H new ATOM 501 N GLY A 32 2.785 12.635 -2.146 1.00 0.00 N ATOM 502 CA GLY A 32 3.718 13.416 -1.286 1.00 0.00 C ATOM 503 C GLY A 32 4.176 12.552 -0.109 1.00 0.00 C ATOM 504 O GLY A 32 4.919 12.995 0.744 1.00 0.00 O ATOM 0 H GLY A 32 3.214 11.875 -2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.580 13.741 -1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.224 14.316 -0.919 1.00 0.00 H new ATOM 508 N HIS A 33 3.739 11.322 -0.056 1.00 0.00 N ATOM 509 CA HIS A 33 4.149 10.430 1.066 1.00 0.00 C ATOM 510 C HIS A 33 5.674 10.393 1.189 1.00 0.00 C ATOM 511 O HIS A 33 6.378 11.182 0.590 1.00 0.00 O ATOM 512 CB HIS A 33 3.621 9.047 0.685 1.00 0.00 C ATOM 513 CG HIS A 33 2.153 8.961 0.994 1.00 0.00 C ATOM 514 ND1 HIS A 33 1.199 8.785 0.004 1.00 0.00 N ATOM 515 CD2 HIS A 33 1.460 9.015 2.177 1.00 0.00 C ATOM 516 CE1 HIS A 33 -0.004 8.740 0.603 1.00 0.00 C ATOM 517 NE2 HIS A 33 0.097 8.876 1.929 1.00 0.00 N ATOM 0 H HIS A 33 3.115 10.897 -0.742 1.00 0.00 H new ATOM 0 HA HIS A 33 3.758 10.774 2.024 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.790 8.862 -0.376 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.163 8.277 1.233 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.904 9.146 3.153 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.938 8.610 0.077 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.661 8.878 2.612 1.00 0.00 H new ATOM 525 N GLU A 34 6.185 9.476 1.959 1.00 0.00 N ATOM 526 CA GLU A 34 7.658 9.372 2.126 1.00 0.00 C ATOM 527 C GLU A 34 8.139 8.000 1.650 1.00 0.00 C ATOM 528 O GLU A 34 7.630 6.982 2.071 1.00 0.00 O ATOM 529 CB GLU A 34 7.901 9.542 3.627 1.00 0.00 C ATOM 530 CG GLU A 34 8.303 10.989 3.919 1.00 0.00 C ATOM 531 CD GLU A 34 9.554 11.006 4.800 1.00 0.00 C ATOM 532 OE1 GLU A 34 9.487 10.483 5.900 1.00 0.00 O ATOM 533 OE2 GLU A 34 10.558 11.540 4.359 1.00 0.00 O ATOM 0 H GLU A 34 5.642 8.790 2.483 1.00 0.00 H new ATOM 0 HA GLU A 34 8.198 10.119 1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.000 9.285 4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.685 8.862 3.958 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.496 11.519 2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.487 11.510 4.419 1.00 0.00 H new ATOM 540 N VAL A 35 9.111 7.989 0.769 1.00 0.00 N ATOM 541 CA VAL A 35 9.672 6.708 0.219 1.00 0.00 C ATOM 542 C VAL A 35 9.384 5.536 1.158 1.00 0.00 C ATOM 543 O VAL A 35 9.537 5.647 2.358 1.00 0.00 O ATOM 544 CB VAL A 35 11.177 6.965 0.126 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.727 7.287 1.517 1.00 0.00 C ATOM 546 CG2 VAL A 35 11.880 5.721 -0.421 1.00 0.00 C ATOM 0 H VAL A 35 9.550 8.832 0.399 1.00 0.00 H new ATOM 0 HA VAL A 35 9.231 6.443 -0.742 1.00 0.00 H new ATOM 0 HB VAL A 35 11.357 7.807 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.799 7.470 1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.231 8.175 1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.543 6.445 2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.952 5.908 -0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.698 4.878 0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.491 5.490 -1.413 1.00 0.00 H new ATOM 556 N ALA A 36 8.944 4.422 0.635 1.00 0.00 N ATOM 557 CA ALA A 36 8.627 3.278 1.531 1.00 0.00 C ATOM 558 C ALA A 36 9.143 1.946 0.965 1.00 0.00 C ATOM 559 O ALA A 36 10.323 1.662 1.015 1.00 0.00 O ATOM 560 CB ALA A 36 7.103 3.279 1.633 1.00 0.00 C ATOM 0 H ALA A 36 8.793 4.258 -0.360 1.00 0.00 H new ATOM 0 HA ALA A 36 9.109 3.382 2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.781 2.462 2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.767 4.227 2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.672 3.148 0.641 1.00 0.00 H new ATOM 566 N ALA A 37 8.273 1.116 0.445 1.00 0.00 N ATOM 567 CA ALA A 37 8.731 -0.196 -0.094 1.00 0.00 C ATOM 568 C ALA A 37 8.288 -0.360 -1.546 1.00 0.00 C ATOM 569 O ALA A 37 7.239 0.099 -1.938 1.00 0.00 O ATOM 570 CB ALA A 37 8.046 -1.243 0.785 1.00 0.00 C ATOM 0 H ALA A 37 7.271 1.291 0.372 1.00 0.00 H new ATOM 0 HA ALA A 37 9.817 -0.288 -0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.332 -2.241 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.352 -1.104 1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.964 -1.131 0.708 1.00 0.00 H new ATOM 576 N THR A 38 9.083 -1.021 -2.338 1.00 0.00 N ATOM 577 CA THR A 38 8.723 -1.232 -3.770 1.00 0.00 C ATOM 578 C THR A 38 9.226 -2.600 -4.242 1.00 0.00 C ATOM 579 O THR A 38 10.326 -2.999 -3.917 1.00 0.00 O ATOM 580 CB THR A 38 9.439 -0.118 -4.528 1.00 0.00 C ATOM 581 OG1 THR A 38 9.438 -0.427 -5.913 1.00 0.00 O ATOM 582 CG2 THR A 38 10.879 -0.003 -4.028 1.00 0.00 C ATOM 0 H THR A 38 9.974 -1.428 -2.054 1.00 0.00 H new ATOM 0 HA THR A 38 7.645 -1.210 -3.931 1.00 0.00 H new ATOM 0 HB THR A 38 8.926 0.830 -4.363 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.347 -0.337 -6.269 1.00 0.00 H new ATOM 0 HG21 THR A 38 11.390 0.793 -4.570 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.877 0.227 -2.963 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.398 -0.947 -4.195 1.00 0.00 H new ATOM 590 N ALA A 39 8.410 -3.316 -4.986 1.00 0.00 N ATOM 591 CA ALA A 39 8.779 -4.684 -5.498 1.00 0.00 C ATOM 592 C ALA A 39 8.310 -5.711 -4.481 1.00 0.00 C ATOM 593 O ALA A 39 7.575 -5.380 -3.590 1.00 0.00 O ATOM 594 CB ALA A 39 10.300 -4.709 -5.662 1.00 0.00 C ATOM 0 H ALA A 39 7.481 -3.003 -5.267 1.00 0.00 H new ATOM 0 HA ALA A 39 8.311 -4.913 -6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.610 -5.686 -6.032 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.602 -3.939 -6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.773 -4.520 -4.698 1.00 0.00 H new ATOM 600 N SER A 40 8.695 -6.945 -4.577 1.00 0.00 N ATOM 601 CA SER A 40 8.193 -7.896 -3.549 1.00 0.00 C ATOM 602 C SER A 40 9.314 -8.740 -2.969 1.00 0.00 C ATOM 603 O SER A 40 9.949 -9.529 -3.639 1.00 0.00 O ATOM 604 CB SER A 40 7.127 -8.750 -4.234 1.00 0.00 C ATOM 605 OG SER A 40 7.752 -9.702 -5.085 1.00 0.00 O ATOM 0 H SER A 40 9.312 -7.331 -5.292 1.00 0.00 H new ATOM 0 HA SER A 40 7.768 -7.362 -2.699 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.519 -9.260 -3.486 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.455 -8.116 -4.813 1.00 0.00 H new ATOM 0 HG SER A 40 8.719 -9.699 -4.925 1.00 0.00 H new ATOM 611 N ARG A 41 9.544 -8.562 -1.702 1.00 0.00 N ATOM 612 CA ARG A 41 10.601 -9.317 -1.006 1.00 0.00 C ATOM 613 C ARG A 41 10.046 -9.879 0.304 1.00 0.00 C ATOM 614 O ARG A 41 9.245 -9.252 0.969 1.00 0.00 O ATOM 615 CB ARG A 41 11.695 -8.286 -0.742 1.00 0.00 C ATOM 616 CG ARG A 41 13.006 -9.007 -0.424 1.00 0.00 C ATOM 617 CD ARG A 41 13.565 -9.622 -1.710 1.00 0.00 C ATOM 618 NE ARG A 41 14.849 -10.263 -1.307 1.00 0.00 N ATOM 619 CZ ARG A 41 15.765 -10.513 -2.203 1.00 0.00 C ATOM 620 NH1 ARG A 41 16.389 -9.528 -2.791 1.00 0.00 N ATOM 621 NH2 ARG A 41 16.059 -11.748 -2.507 1.00 0.00 N ATOM 0 H ARG A 41 9.029 -7.909 -1.112 1.00 0.00 H new ATOM 0 HA ARG A 41 10.976 -10.164 -1.581 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.822 -7.644 -1.613 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.410 -7.642 0.090 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.726 -8.308 0.002 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.836 -9.784 0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.874 -10.353 -2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.727 -8.861 -2.473 1.00 0.00 H new ATOM 0 HE ARG A 41 15.012 -10.507 -0.330 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.161 -8.563 -2.550 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.105 -9.723 -3.491 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.573 -12.517 -2.045 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.774 -11.944 -3.207 1.00 0.00 H new ATOM 635 N MET A 42 10.449 -11.058 0.674 1.00 0.00 N ATOM 636 CA MET A 42 9.931 -11.659 1.929 1.00 0.00 C ATOM 637 C MET A 42 10.592 -11.013 3.154 1.00 0.00 C ATOM 638 O MET A 42 9.961 -10.809 4.170 1.00 0.00 O ATOM 639 CB MET A 42 10.288 -13.138 1.812 1.00 0.00 C ATOM 640 CG MET A 42 9.714 -13.684 0.500 1.00 0.00 C ATOM 641 SD MET A 42 10.014 -15.467 0.403 1.00 0.00 S ATOM 642 CE MET A 42 8.288 -15.993 0.530 1.00 0.00 C ATOM 0 H MET A 42 11.117 -11.633 0.160 1.00 0.00 H new ATOM 0 HA MET A 42 8.860 -11.507 2.060 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.370 -13.268 1.833 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.884 -13.692 2.660 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.644 -13.481 0.447 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.176 -13.180 -0.349 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.235 -17.081 0.491 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.869 -15.643 1.474 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.718 -15.572 -0.298 1.00 0.00 H new ATOM 652 N GLN A 43 11.851 -10.679 3.061 1.00 0.00 N ATOM 653 CA GLN A 43 12.543 -10.034 4.214 1.00 0.00 C ATOM 654 C GLN A 43 11.977 -8.629 4.437 1.00 0.00 C ATOM 655 O GLN A 43 11.477 -8.312 5.497 1.00 0.00 O ATOM 656 CB GLN A 43 14.017 -9.960 3.804 1.00 0.00 C ATOM 657 CG GLN A 43 14.850 -9.441 4.976 1.00 0.00 C ATOM 658 CD GLN A 43 15.171 -10.596 5.927 1.00 0.00 C ATOM 659 OE1 GLN A 43 15.456 -11.695 5.495 1.00 0.00 O ATOM 660 NE2 GLN A 43 15.134 -10.390 7.215 1.00 0.00 N ATOM 0 H GLN A 43 12.431 -10.825 2.235 1.00 0.00 H new ATOM 0 HA GLN A 43 12.409 -10.588 5.143 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.371 -10.946 3.502 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.133 -9.302 2.943 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.773 -8.991 4.609 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.304 -8.661 5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 43 14.895 -9.467 7.577 1.00 0.00 H new ATOM 0 HE22 GLN A 43 15.344 -11.152 7.860 1.00 0.00 H new ATOM 669 N GLU A 44 12.043 -7.785 3.443 1.00 0.00 N ATOM 670 CA GLU A 44 11.499 -6.409 3.606 1.00 0.00 C ATOM 671 C GLU A 44 10.017 -6.489 3.958 1.00 0.00 C ATOM 672 O GLU A 44 9.560 -5.887 4.909 1.00 0.00 O ATOM 673 CB GLU A 44 11.700 -5.734 2.253 1.00 0.00 C ATOM 674 CG GLU A 44 12.758 -4.637 2.391 1.00 0.00 C ATOM 675 CD GLU A 44 12.797 -3.797 1.115 1.00 0.00 C ATOM 676 OE1 GLU A 44 11.899 -3.948 0.304 1.00 0.00 O ATOM 677 OE2 GLU A 44 13.725 -3.018 0.969 1.00 0.00 O ATOM 0 H GLU A 44 12.448 -7.989 2.529 1.00 0.00 H new ATOM 0 HA GLU A 44 11.993 -5.853 4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.014 -6.467 1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.760 -5.308 1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.530 -4.004 3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.736 -5.082 2.575 1.00 0.00 H new ATOM 684 N ALA A 45 9.264 -7.252 3.214 1.00 0.00 N ATOM 685 CA ALA A 45 7.818 -7.386 3.537 1.00 0.00 C ATOM 686 C ALA A 45 7.701 -7.677 5.028 1.00 0.00 C ATOM 687 O ALA A 45 6.879 -7.124 5.729 1.00 0.00 O ATOM 688 CB ALA A 45 7.322 -8.571 2.708 1.00 0.00 C ATOM 0 H ALA A 45 9.585 -7.783 2.404 1.00 0.00 H new ATOM 0 HA ALA A 45 7.236 -6.492 3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.260 -8.728 2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.475 -8.364 1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.876 -9.467 2.986 1.00 0.00 H new ATOM 694 N LEU A 46 8.561 -8.523 5.512 1.00 0.00 N ATOM 695 CA LEU A 46 8.573 -8.852 6.959 1.00 0.00 C ATOM 696 C LEU A 46 8.719 -7.550 7.747 1.00 0.00 C ATOM 697 O LEU A 46 7.944 -7.254 8.633 1.00 0.00 O ATOM 698 CB LEU A 46 9.828 -9.731 7.104 1.00 0.00 C ATOM 699 CG LEU A 46 9.739 -10.733 8.273 1.00 0.00 C ATOM 700 CD1 LEU A 46 10.711 -10.301 9.370 1.00 0.00 C ATOM 701 CD2 LEU A 46 8.322 -10.811 8.849 1.00 0.00 C ATOM 0 H LEU A 46 9.267 -9.008 4.957 1.00 0.00 H new ATOM 0 HA LEU A 46 7.675 -9.352 7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.988 -10.280 6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.697 -9.090 7.249 1.00 0.00 H new ATOM 0 HG LEU A 46 9.999 -11.722 7.896 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.656 -11.003 10.202 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.726 -10.288 8.972 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.445 -9.303 9.719 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.302 -11.528 9.670 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.024 -9.829 9.217 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.630 -11.132 8.070 1.00 0.00 H new ATOM 713 N ASP A 47 9.700 -6.759 7.406 1.00 0.00 N ATOM 714 CA ASP A 47 9.903 -5.463 8.112 1.00 0.00 C ATOM 715 C ASP A 47 8.597 -4.671 8.133 1.00 0.00 C ATOM 716 O ASP A 47 8.245 -4.064 9.124 1.00 0.00 O ATOM 717 CB ASP A 47 10.961 -4.725 7.293 1.00 0.00 C ATOM 718 CG ASP A 47 11.967 -4.062 8.236 1.00 0.00 C ATOM 719 OD1 ASP A 47 12.659 -4.784 8.934 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.029 -2.843 8.244 1.00 0.00 O ATOM 0 H ASP A 47 10.372 -6.956 6.665 1.00 0.00 H new ATOM 0 HA ASP A 47 10.214 -5.600 9.148 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.473 -5.422 6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.488 -3.973 6.662 1.00 0.00 H new ATOM 725 N ILE A 48 7.868 -4.683 7.050 1.00 0.00 N ATOM 726 CA ILE A 48 6.575 -3.935 7.027 1.00 0.00 C ATOM 727 C ILE A 48 5.550 -4.709 7.863 1.00 0.00 C ATOM 728 O ILE A 48 4.499 -4.210 8.201 1.00 0.00 O ATOM 729 CB ILE A 48 6.133 -3.795 5.539 1.00 0.00 C ATOM 730 CG1 ILE A 48 5.040 -4.821 5.189 1.00 0.00 C ATOM 731 CG2 ILE A 48 7.330 -3.970 4.594 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.912 -4.954 3.668 1.00 0.00 C ATOM 0 H ILE A 48 8.107 -5.173 6.188 1.00 0.00 H new ATOM 0 HA ILE A 48 6.670 -2.937 7.456 1.00 0.00 H new ATOM 0 HB ILE A 48 5.726 -2.792 5.410 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.284 -5.789 5.627 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.087 -4.509 5.616 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.996 -3.868 3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.079 -3.208 4.810 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.766 -4.958 4.738 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.136 -5.682 3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.646 -3.988 3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.862 -5.287 3.251 1.00 0.00 H new ATOM 744 N ALA A 49 5.863 -5.931 8.200 1.00 0.00 N ATOM 745 CA ALA A 49 4.933 -6.745 9.021 1.00 0.00 C ATOM 746 C ALA A 49 5.299 -6.629 10.503 1.00 0.00 C ATOM 747 O ALA A 49 4.441 -6.571 11.361 1.00 0.00 O ATOM 748 CB ALA A 49 5.122 -8.179 8.528 1.00 0.00 C ATOM 0 H ALA A 49 6.730 -6.400 7.938 1.00 0.00 H new ATOM 0 HA ALA A 49 3.898 -6.417 8.925 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.466 -8.846 9.088 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.876 -8.235 7.468 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.159 -8.481 8.676 1.00 0.00 H new ATOM 754 N ARG A 50 6.570 -6.605 10.812 1.00 0.00 N ATOM 755 CA ARG A 50 6.985 -6.505 12.237 1.00 0.00 C ATOM 756 C ARG A 50 7.213 -5.039 12.625 1.00 0.00 C ATOM 757 O ARG A 50 7.575 -4.736 13.745 1.00 0.00 O ATOM 758 CB ARG A 50 8.306 -7.284 12.351 1.00 0.00 C ATOM 759 CG ARG A 50 8.327 -8.489 11.400 1.00 0.00 C ATOM 760 CD ARG A 50 7.018 -9.275 11.502 1.00 0.00 C ATOM 761 NE ARG A 50 6.797 -9.457 12.964 1.00 0.00 N ATOM 762 CZ ARG A 50 5.657 -9.913 13.407 1.00 0.00 C ATOM 763 NH1 ARG A 50 4.574 -9.196 13.291 1.00 0.00 N ATOM 764 NH2 ARG A 50 5.603 -11.090 13.967 1.00 0.00 N ATOM 0 H ARG A 50 7.335 -6.650 10.138 1.00 0.00 H new ATOM 0 HA ARG A 50 6.219 -6.907 12.900 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.142 -6.623 12.122 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.442 -7.625 13.377 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.475 -8.148 10.375 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.168 -9.138 11.644 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.193 -8.731 11.042 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.092 -10.235 10.990 1.00 0.00 H new ATOM 0 HE ARG A 50 7.540 -9.224 13.622 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.616 -8.276 12.853 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.685 -9.555 13.638 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.450 -11.651 14.058 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.714 -11.449 14.314 1.00 0.00 H new ATOM 778 N LYS A 51 7.024 -4.128 11.706 1.00 0.00 N ATOM 779 CA LYS A 51 7.254 -2.691 12.021 1.00 0.00 C ATOM 780 C LYS A 51 5.947 -1.982 12.393 1.00 0.00 C ATOM 781 O LYS A 51 5.857 -1.333 13.415 1.00 0.00 O ATOM 782 CB LYS A 51 7.837 -2.104 10.734 1.00 0.00 C ATOM 783 CG LYS A 51 7.927 -0.582 10.852 1.00 0.00 C ATOM 784 CD LYS A 51 9.398 -0.161 10.881 1.00 0.00 C ATOM 785 CE LYS A 51 9.625 0.996 9.904 1.00 0.00 C ATOM 786 NZ LYS A 51 11.099 1.213 9.900 1.00 0.00 N ATOM 0 H LYS A 51 6.720 -4.319 10.751 1.00 0.00 H new ATOM 0 HA LYS A 51 7.916 -2.565 12.878 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.826 -2.522 10.548 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.211 -2.375 9.884 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.419 -0.110 10.011 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.423 -0.246 11.758 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.679 0.142 11.890 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.033 -1.005 10.613 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.260 0.748 8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.095 1.893 10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.333 1.992 9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.417 1.454 10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.577 0.345 9.584 1.00 0.00 H new ATOM 800 N GLY A 52 4.936 -2.091 11.575 1.00 0.00 N ATOM 801 CA GLY A 52 3.648 -1.410 11.894 1.00 0.00 C ATOM 802 C GLY A 52 3.871 0.105 11.956 1.00 0.00 C ATOM 803 O GLY A 52 3.032 0.846 12.425 1.00 0.00 O ATOM 0 H GLY A 52 4.945 -2.620 10.703 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.902 -1.647 11.136 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.260 -1.770 12.847 1.00 0.00 H new ATOM 807 N GLN A 53 5.000 0.569 11.489 1.00 0.00 N ATOM 808 CA GLN A 53 5.279 2.036 11.526 1.00 0.00 C ATOM 809 C GLN A 53 5.588 2.550 10.116 1.00 0.00 C ATOM 810 O GLN A 53 6.379 3.452 9.928 1.00 0.00 O ATOM 811 CB GLN A 53 6.501 2.183 12.435 1.00 0.00 C ATOM 812 CG GLN A 53 6.118 3.002 13.666 1.00 0.00 C ATOM 813 CD GLN A 53 6.932 4.295 13.688 1.00 0.00 C ATOM 814 OE1 GLN A 53 6.538 5.284 13.103 1.00 0.00 O ATOM 815 NE2 GLN A 53 8.062 4.331 14.340 1.00 0.00 N ATOM 0 H GLN A 53 5.741 -0.003 11.084 1.00 0.00 H new ATOM 0 HA GLN A 53 4.429 2.611 11.893 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.865 1.201 12.736 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.313 2.672 11.896 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.052 3.230 13.647 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.305 2.426 14.572 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.394 3.501 14.832 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.613 5.189 14.358 1.00 0.00 H new ATOM 824 N PHE A 54 4.961 1.980 9.127 1.00 0.00 N ATOM 825 CA PHE A 54 5.201 2.419 7.720 1.00 0.00 C ATOM 826 C PHE A 54 3.912 2.992 7.129 1.00 0.00 C ATOM 827 O PHE A 54 3.814 3.238 5.946 1.00 0.00 O ATOM 828 CB PHE A 54 5.569 1.138 6.992 1.00 0.00 C ATOM 829 CG PHE A 54 4.489 0.127 7.269 1.00 0.00 C ATOM 830 CD1 PHE A 54 3.273 0.199 6.583 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.697 -0.865 8.228 1.00 0.00 C ATOM 832 CE1 PHE A 54 2.263 -0.730 6.855 1.00 0.00 C ATOM 833 CE2 PHE A 54 3.687 -1.792 8.505 1.00 0.00 C ATOM 834 CZ PHE A 54 2.470 -1.727 7.817 1.00 0.00 C ATOM 0 H PHE A 54 4.286 1.222 9.231 1.00 0.00 H new ATOM 0 HA PHE A 54 5.969 3.189 7.643 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.658 1.319 5.921 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.536 0.768 7.334 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.114 0.971 5.844 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.638 -0.917 8.756 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.324 -0.679 6.324 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.846 -2.558 9.250 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.691 -2.445 8.028 1.00 0.00 H new ATOM 844 N ASP A 55 2.926 3.191 7.953 1.00 0.00 N ATOM 845 CA ASP A 55 1.626 3.739 7.475 1.00 0.00 C ATOM 846 C ASP A 55 0.858 2.725 6.620 1.00 0.00 C ATOM 847 O ASP A 55 -0.248 2.355 6.952 1.00 0.00 O ATOM 848 CB ASP A 55 1.970 4.971 6.646 1.00 0.00 C ATOM 849 CG ASP A 55 0.990 6.094 6.995 1.00 0.00 C ATOM 850 OD1 ASP A 55 0.955 6.484 8.150 1.00 0.00 O ATOM 851 OD2 ASP A 55 0.280 6.533 6.105 1.00 0.00 O ATOM 0 H ASP A 55 2.964 2.995 8.953 1.00 0.00 H new ATOM 0 HA ASP A 55 0.980 3.978 8.320 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.993 5.288 6.848 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.913 4.738 5.583 1.00 0.00 H new ATOM 856 N ILE A 56 1.392 2.297 5.502 1.00 0.00 N ATOM 857 CA ILE A 56 0.598 1.350 4.657 1.00 0.00 C ATOM 858 C ILE A 56 1.443 0.222 4.049 1.00 0.00 C ATOM 859 O ILE A 56 2.653 0.294 3.984 1.00 0.00 O ATOM 860 CB ILE A 56 0.010 2.248 3.578 1.00 0.00 C ATOM 861 CG1 ILE A 56 -0.911 3.274 4.277 1.00 0.00 C ATOM 862 CG2 ILE A 56 -0.745 1.380 2.565 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.111 3.653 3.404 1.00 0.00 C ATOM 0 H ILE A 56 2.313 2.552 5.146 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.154 0.822 5.243 1.00 0.00 H new ATOM 0 HB ILE A 56 0.781 2.789 3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.265 2.860 5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.339 4.170 4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.170 2.015 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.057 0.665 2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.546 0.842 3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.732 4.376 3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.758 4.092 2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.698 2.761 3.186 1.00 0.00 H new ATOM 875 N ALA A 57 0.797 -0.842 3.615 1.00 0.00 N ATOM 876 CA ALA A 57 1.554 -1.991 3.042 1.00 0.00 C ATOM 877 C ALA A 57 0.862 -2.555 1.799 1.00 0.00 C ATOM 878 O ALA A 57 -0.191 -3.147 1.883 1.00 0.00 O ATOM 879 CB ALA A 57 1.518 -3.032 4.156 1.00 0.00 C ATOM 0 H ALA A 57 -0.216 -0.957 3.636 1.00 0.00 H new ATOM 0 HA ALA A 57 2.559 -1.705 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.052 -3.927 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.994 -2.626 5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.483 -3.288 4.381 1.00 0.00 H new ATOM 885 N ILE A 58 1.459 -2.423 0.654 1.00 0.00 N ATOM 886 CA ILE A 58 0.828 -2.994 -0.563 1.00 0.00 C ATOM 887 C ILE A 58 1.613 -4.226 -1.003 1.00 0.00 C ATOM 888 O ILE A 58 2.808 -4.184 -1.200 1.00 0.00 O ATOM 889 CB ILE A 58 0.864 -1.889 -1.621 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.320 -0.950 -1.392 1.00 0.00 C ATOM 891 CG2 ILE A 58 0.769 -2.499 -3.022 1.00 0.00 C ATOM 892 CD1 ILE A 58 0.075 0.123 -0.376 1.00 0.00 C ATOM 0 H ILE A 58 2.350 -1.949 0.507 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.200 -3.313 -0.392 1.00 0.00 H new ATOM 0 HB ILE A 58 1.801 -1.338 -1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.617 -0.485 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.180 -1.512 -1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.795 -1.704 -3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.609 -3.175 -3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.165 -3.053 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.767 0.795 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.351 -0.352 0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.923 0.692 -0.758 1.00 0.00 H new ATOM 904 N ILE A 59 0.941 -5.324 -1.136 1.00 0.00 N ATOM 905 CA ILE A 59 1.614 -6.585 -1.548 1.00 0.00 C ATOM 906 C ILE A 59 0.665 -7.357 -2.463 1.00 0.00 C ATOM 907 O ILE A 59 0.166 -8.406 -2.111 1.00 0.00 O ATOM 908 CB ILE A 59 1.838 -7.355 -0.247 1.00 0.00 C ATOM 909 CG1 ILE A 59 2.727 -6.542 0.698 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.510 -8.687 -0.558 1.00 0.00 C ATOM 911 CD1 ILE A 59 2.676 -7.159 2.097 1.00 0.00 C ATOM 0 H ILE A 59 -0.063 -5.408 -0.975 1.00 0.00 H new ATOM 0 HA ILE A 59 2.550 -6.422 -2.082 1.00 0.00 H new ATOM 0 HB ILE A 59 0.876 -7.532 0.235 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.753 -6.531 0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.389 -5.506 0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.671 -9.238 0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.872 -9.271 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.469 -8.506 -1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.308 -6.582 2.772 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.649 -7.147 2.463 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.034 -8.188 2.054 1.00 0.00 H new ATOM 923 N ASP A 60 0.389 -6.828 -3.621 1.00 0.00 N ATOM 924 CA ASP A 60 -0.561 -7.516 -4.546 1.00 0.00 C ATOM 925 C ASP A 60 -0.316 -9.025 -4.551 1.00 0.00 C ATOM 926 O ASP A 60 0.806 -9.486 -4.483 1.00 0.00 O ATOM 927 CB ASP A 60 -0.292 -6.920 -5.924 1.00 0.00 C ATOM 928 CG ASP A 60 -0.833 -5.491 -5.981 1.00 0.00 C ATOM 929 OD1 ASP A 60 -1.537 -5.108 -5.062 1.00 0.00 O ATOM 930 OD2 ASP A 60 -0.531 -4.803 -6.942 1.00 0.00 O ATOM 0 H ASP A 60 0.777 -5.951 -3.969 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.597 -7.371 -4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.778 -6.922 -6.129 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.766 -7.530 -6.693 1.00 0.00 H new ATOM 935 N VAL A 61 -1.365 -9.798 -4.627 1.00 0.00 N ATOM 936 CA VAL A 61 -1.198 -11.282 -4.631 1.00 0.00 C ATOM 937 C VAL A 61 -2.058 -11.922 -5.729 1.00 0.00 C ATOM 938 O VAL A 61 -2.870 -12.788 -5.469 1.00 0.00 O ATOM 939 CB VAL A 61 -1.660 -11.736 -3.245 1.00 0.00 C ATOM 940 CG1 VAL A 61 -3.179 -11.589 -3.131 1.00 0.00 C ATOM 941 CG2 VAL A 61 -1.277 -13.202 -3.035 1.00 0.00 C ATOM 0 H VAL A 61 -2.329 -9.469 -4.686 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.169 -11.578 -4.835 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.179 -11.118 -2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.503 -11.914 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.456 -10.545 -3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.662 -12.203 -3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.606 -13.526 -2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.757 -13.816 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.195 -13.310 -3.110 1.00 0.00 H new ATOM 951 N ASN A 62 -1.881 -11.507 -6.956 1.00 0.00 N ATOM 952 CA ASN A 62 -2.682 -12.096 -8.072 1.00 0.00 C ATOM 953 C ASN A 62 -2.049 -11.723 -9.418 1.00 0.00 C ATOM 954 O ASN A 62 -1.765 -12.569 -10.244 1.00 0.00 O ATOM 955 CB ASN A 62 -4.071 -11.472 -7.930 1.00 0.00 C ATOM 956 CG ASN A 62 -5.054 -12.179 -8.864 1.00 0.00 C ATOM 957 OD1 ASN A 62 -4.697 -12.576 -9.955 1.00 0.00 O ATOM 958 ND2 ASN A 62 -6.289 -12.350 -8.479 1.00 0.00 N ATOM 0 H ASN A 62 -1.216 -10.785 -7.235 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.724 -13.184 -8.032 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.413 -11.554 -6.898 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.029 -10.409 -8.169 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.955 -12.817 -9.094 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.588 -12.016 -7.563 1.00 0.00 H new ATOM 965 N LEU A 63 -1.815 -10.458 -9.629 1.00 0.00 N ATOM 966 CA LEU A 63 -1.186 -10.004 -10.900 1.00 0.00 C ATOM 967 C LEU A 63 0.145 -9.322 -10.548 1.00 0.00 C ATOM 968 O LEU A 63 0.186 -8.348 -9.825 1.00 0.00 O ATOM 969 CB LEU A 63 -2.245 -9.067 -11.539 1.00 0.00 C ATOM 970 CG LEU A 63 -1.762 -7.615 -11.694 1.00 0.00 C ATOM 971 CD1 LEU A 63 -1.215 -7.404 -13.107 1.00 0.00 C ATOM 972 CD2 LEU A 63 -2.946 -6.668 -11.471 1.00 0.00 C ATOM 0 H LEU A 63 -2.035 -9.712 -8.969 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.933 -10.791 -11.611 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.520 -9.457 -12.519 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.147 -9.079 -10.926 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.977 -7.413 -10.965 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.873 -6.375 -13.215 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.380 -8.083 -13.279 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.001 -7.603 -13.835 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.612 -5.636 -11.579 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.723 -6.877 -12.207 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.347 -6.816 -10.468 1.00 0.00 H new ATOM 984 N ASP A 64 1.244 -9.873 -10.996 1.00 0.00 N ATOM 985 CA ASP A 64 2.583 -9.299 -10.642 1.00 0.00 C ATOM 986 C ASP A 64 2.847 -9.445 -9.140 1.00 0.00 C ATOM 987 O ASP A 64 3.882 -9.929 -8.735 1.00 0.00 O ATOM 988 CB ASP A 64 2.524 -7.826 -11.010 1.00 0.00 C ATOM 989 CG ASP A 64 1.901 -7.669 -12.396 1.00 0.00 C ATOM 990 OD1 ASP A 64 2.156 -8.515 -13.238 1.00 0.00 O ATOM 991 OD2 ASP A 64 1.180 -6.705 -12.593 1.00 0.00 O ATOM 0 H ASP A 64 1.274 -10.699 -11.594 1.00 0.00 H new ATOM 0 HA ASP A 64 3.383 -9.817 -11.171 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.937 -7.280 -10.272 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.526 -7.398 -11.000 1.00 0.00 H new ATOM 996 N GLY A 65 1.923 -9.020 -8.313 1.00 0.00 N ATOM 997 CA GLY A 65 2.115 -9.136 -6.845 1.00 0.00 C ATOM 998 C GLY A 65 2.038 -10.604 -6.444 1.00 0.00 C ATOM 999 O GLY A 65 2.403 -10.960 -5.342 1.00 0.00 O ATOM 0 H GLY A 65 1.041 -8.596 -8.600 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.080 -8.719 -6.558 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.351 -8.563 -6.320 1.00 0.00 H new ATOM 1003 N GLU A 66 1.568 -11.453 -7.346 1.00 0.00 N ATOM 1004 CA GLU A 66 1.466 -12.931 -7.060 1.00 0.00 C ATOM 1005 C GLU A 66 2.406 -13.304 -5.924 1.00 0.00 C ATOM 1006 O GLU A 66 1.982 -13.817 -4.908 1.00 0.00 O ATOM 1007 CB GLU A 66 1.863 -13.692 -8.347 1.00 0.00 C ATOM 1008 CG GLU A 66 2.043 -12.752 -9.548 1.00 0.00 C ATOM 1009 CD GLU A 66 2.785 -13.492 -10.664 1.00 0.00 C ATOM 1010 OE1 GLU A 66 2.412 -14.618 -10.950 1.00 0.00 O ATOM 1011 OE2 GLU A 66 3.713 -12.920 -11.212 1.00 0.00 O ATOM 0 H GLU A 66 1.249 -11.179 -8.275 1.00 0.00 H new ATOM 0 HA GLU A 66 0.450 -13.192 -6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.791 -14.237 -8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.097 -14.432 -8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.072 -12.411 -9.906 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.602 -11.865 -9.250 1.00 0.00 H new ATOM 1018 N PRO A 67 3.651 -12.976 -6.112 1.00 0.00 N ATOM 1019 CA PRO A 67 4.679 -13.208 -5.065 1.00 0.00 C ATOM 1020 C PRO A 67 4.381 -12.401 -3.790 1.00 0.00 C ATOM 1021 O PRO A 67 5.243 -11.727 -3.262 1.00 0.00 O ATOM 1022 CB PRO A 67 5.961 -12.710 -5.733 1.00 0.00 C ATOM 1023 CG PRO A 67 5.495 -11.761 -6.784 1.00 0.00 C ATOM 1024 CD PRO A 67 4.238 -12.369 -7.311 1.00 0.00 C ATOM 0 HA PRO A 67 4.728 -14.248 -4.742 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.616 -12.216 -5.015 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.528 -13.534 -6.166 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.312 -10.770 -6.370 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.240 -11.645 -7.572 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.579 -11.621 -7.751 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.439 -13.111 -8.084 1.00 0.00 H new ATOM 1032 N SER A 68 3.176 -12.471 -3.282 1.00 0.00 N ATOM 1033 CA SER A 68 2.843 -11.718 -2.038 1.00 0.00 C ATOM 1034 C SER A 68 2.976 -12.645 -0.823 1.00 0.00 C ATOM 1035 O SER A 68 2.627 -12.294 0.288 1.00 0.00 O ATOM 1036 CB SER A 68 1.392 -11.270 -2.226 1.00 0.00 C ATOM 1037 OG SER A 68 0.606 -11.737 -1.137 1.00 0.00 O ATOM 0 H SER A 68 2.410 -13.017 -3.676 1.00 0.00 H new ATOM 0 HA SER A 68 3.506 -10.870 -1.867 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.341 -10.183 -2.285 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.999 -11.659 -3.165 1.00 0.00 H new ATOM 0 HG SER A 68 0.537 -12.714 -1.178 1.00 0.00 H new ATOM 1043 N TYR A 69 3.493 -13.827 -1.038 1.00 0.00 N ATOM 1044 CA TYR A 69 3.673 -14.815 0.070 1.00 0.00 C ATOM 1045 C TYR A 69 2.391 -14.962 0.898 1.00 0.00 C ATOM 1046 O TYR A 69 1.438 -14.209 0.752 1.00 0.00 O ATOM 1047 CB TYR A 69 4.838 -14.327 0.962 1.00 0.00 C ATOM 1048 CG TYR A 69 5.287 -12.927 0.599 1.00 0.00 C ATOM 1049 CD1 TYR A 69 5.999 -12.699 -0.585 1.00 0.00 C ATOM 1050 CD2 TYR A 69 4.986 -11.859 1.449 1.00 0.00 C ATOM 1051 CE1 TYR A 69 6.410 -11.402 -0.914 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.398 -10.563 1.122 1.00 0.00 C ATOM 1053 CZ TYR A 69 6.110 -10.334 -0.061 1.00 0.00 C ATOM 1054 OH TYR A 69 6.520 -9.057 -0.383 1.00 0.00 O ATOM 0 H TYR A 69 3.804 -14.156 -1.952 1.00 0.00 H new ATOM 0 HA TYR A 69 3.899 -15.796 -0.349 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.527 -14.348 2.007 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.679 -15.013 0.866 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.231 -13.523 -1.244 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.434 -12.035 2.360 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.959 -11.225 -1.827 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.167 -9.740 1.782 1.00 0.00 H new ATOM 0 HH TYR A 69 6.787 -9.027 -1.325 1.00 0.00 H new ATOM 1064 N PRO A 70 2.419 -15.948 1.750 1.00 0.00 N ATOM 1065 CA PRO A 70 1.260 -16.235 2.623 1.00 0.00 C ATOM 1066 C PRO A 70 1.080 -15.123 3.652 1.00 0.00 C ATOM 1067 O PRO A 70 0.142 -15.133 4.425 1.00 0.00 O ATOM 1068 CB PRO A 70 1.629 -17.557 3.292 1.00 0.00 C ATOM 1069 CG PRO A 70 3.121 -17.607 3.238 1.00 0.00 C ATOM 1070 CD PRO A 70 3.528 -16.879 1.983 1.00 0.00 C ATOM 0 HA PRO A 70 0.317 -16.294 2.080 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.269 -17.594 4.320 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.185 -18.403 2.768 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.557 -17.136 4.119 1.00 0.00 H new ATOM 0 HG3 PRO A 70 3.474 -18.638 3.220 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.473 -16.352 2.114 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.658 -17.565 1.146 1.00 0.00 H new ATOM 1078 N VAL A 71 1.953 -14.150 3.668 1.00 0.00 N ATOM 1079 CA VAL A 71 1.775 -13.055 4.650 1.00 0.00 C ATOM 1080 C VAL A 71 0.722 -12.092 4.134 1.00 0.00 C ATOM 1081 O VAL A 71 -0.347 -12.007 4.690 1.00 0.00 O ATOM 1082 CB VAL A 71 3.126 -12.366 4.800 1.00 0.00 C ATOM 1083 CG1 VAL A 71 3.015 -11.272 5.864 1.00 0.00 C ATOM 1084 CG2 VAL A 71 4.174 -13.390 5.232 1.00 0.00 C ATOM 0 H VAL A 71 2.764 -14.071 3.055 1.00 0.00 H new ATOM 0 HA VAL A 71 1.440 -13.427 5.618 1.00 0.00 H new ATOM 0 HB VAL A 71 3.421 -11.925 3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.978 -10.775 5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.264 -10.543 5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.723 -11.718 6.815 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.141 -12.898 5.340 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.882 -13.829 6.186 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.248 -14.175 4.479 1.00 0.00 H new ATOM 1094 N ALA A 72 0.987 -11.394 3.054 1.00 0.00 N ATOM 1095 CA ALA A 72 -0.059 -10.482 2.501 1.00 0.00 C ATOM 1096 C ALA A 72 -1.380 -11.225 2.569 1.00 0.00 C ATOM 1097 O ALA A 72 -2.419 -10.684 2.896 1.00 0.00 O ATOM 1098 CB ALA A 72 0.338 -10.267 1.054 1.00 0.00 C ATOM 0 H ALA A 72 1.868 -11.416 2.540 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.149 -9.535 3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.383 -9.605 0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.329 -9.816 1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.353 -11.225 0.535 1.00 0.00 H new ATOM 1104 N ASP A 73 -1.307 -12.496 2.304 1.00 0.00 N ATOM 1105 CA ASP A 73 -2.506 -13.352 2.389 1.00 0.00 C ATOM 1106 C ASP A 73 -3.061 -13.285 3.805 1.00 0.00 C ATOM 1107 O ASP A 73 -4.209 -12.963 4.037 1.00 0.00 O ATOM 1108 CB ASP A 73 -1.954 -14.737 2.142 1.00 0.00 C ATOM 1109 CG ASP A 73 -1.775 -14.966 0.641 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -2.723 -14.736 -0.091 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -0.691 -15.366 0.248 1.00 0.00 O ATOM 0 H ASP A 73 -0.453 -12.980 2.029 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.299 -13.067 1.698 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.998 -14.853 2.653 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.630 -15.486 2.555 1.00 0.00 H new ATOM 1116 N ILE A 74 -2.219 -13.590 4.749 1.00 0.00 N ATOM 1117 CA ILE A 74 -2.635 -13.558 6.177 1.00 0.00 C ATOM 1118 C ILE A 74 -2.945 -12.118 6.567 1.00 0.00 C ATOM 1119 O ILE A 74 -3.926 -11.831 7.225 1.00 0.00 O ATOM 1120 CB ILE A 74 -1.429 -14.087 6.952 1.00 0.00 C ATOM 1121 CG1 ILE A 74 -1.392 -15.615 6.845 1.00 0.00 C ATOM 1122 CG2 ILE A 74 -1.545 -13.680 8.423 1.00 0.00 C ATOM 1123 CD1 ILE A 74 0.055 -16.105 6.944 1.00 0.00 C ATOM 0 H ILE A 74 -1.249 -13.863 4.591 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.526 -14.152 6.380 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.514 -13.668 6.534 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.992 -16.059 7.639 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.830 -15.934 5.899 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.684 -14.058 8.974 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.575 -12.593 8.498 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.459 -14.099 8.845 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.077 -17.192 6.868 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.642 -15.672 6.134 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.478 -15.800 7.901 1.00 0.00 H new ATOM 1135 N LEU A 75 -2.124 -11.209 6.131 1.00 0.00 N ATOM 1136 CA LEU A 75 -2.362 -9.779 6.429 1.00 0.00 C ATOM 1137 C LEU A 75 -3.836 -9.473 6.178 1.00 0.00 C ATOM 1138 O LEU A 75 -4.407 -8.578 6.756 1.00 0.00 O ATOM 1139 CB LEU A 75 -1.462 -9.036 5.439 1.00 0.00 C ATOM 1140 CG LEU A 75 -0.993 -7.717 6.050 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -0.015 -8.000 7.190 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -0.292 -6.884 4.976 1.00 0.00 C ATOM 0 H LEU A 75 -1.290 -11.400 5.575 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.142 -9.494 7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.602 -9.654 5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.005 -8.845 4.513 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.852 -7.170 6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.319 -7.058 7.625 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.511 -8.597 7.955 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.845 -8.547 6.804 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.044 -5.942 5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.567 -7.434 4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.987 -6.682 4.161 1.00 0.00 H new ATOM 1154 N ALA A 76 -4.454 -10.225 5.312 1.00 0.00 N ATOM 1155 CA ALA A 76 -5.887 -10.000 5.012 1.00 0.00 C ATOM 1156 C ALA A 76 -6.765 -10.769 6.004 1.00 0.00 C ATOM 1157 O ALA A 76 -7.818 -10.311 6.401 1.00 0.00 O ATOM 1158 CB ALA A 76 -6.070 -10.550 3.597 1.00 0.00 C ATOM 0 H ALA A 76 -4.021 -10.991 4.797 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.171 -8.951 5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.108 -10.425 3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.420 -10.009 2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.812 -11.609 3.582 1.00 0.00 H new ATOM 1164 N GLU A 77 -6.339 -11.936 6.400 1.00 0.00 N ATOM 1165 CA GLU A 77 -7.148 -12.740 7.360 1.00 0.00 C ATOM 1166 C GLU A 77 -7.467 -11.920 8.615 1.00 0.00 C ATOM 1167 O GLU A 77 -8.611 -11.787 9.003 1.00 0.00 O ATOM 1168 CB GLU A 77 -6.267 -13.940 7.713 1.00 0.00 C ATOM 1169 CG GLU A 77 -6.502 -15.061 6.699 1.00 0.00 C ATOM 1170 CD GLU A 77 -7.572 -16.014 7.233 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -7.270 -16.757 8.152 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -8.678 -15.981 6.717 1.00 0.00 O ATOM 0 H GLU A 77 -5.465 -12.369 6.101 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.104 -13.045 6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.217 -13.647 7.711 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.498 -14.291 8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.817 -14.642 5.744 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.574 -15.603 6.518 1.00 0.00 H new ATOM 1179 N ARG A 78 -6.468 -11.376 9.258 1.00 0.00 N ATOM 1180 CA ARG A 78 -6.723 -10.579 10.488 1.00 0.00 C ATOM 1181 C ARG A 78 -6.579 -9.079 10.205 1.00 0.00 C ATOM 1182 O ARG A 78 -7.193 -8.256 10.855 1.00 0.00 O ATOM 1183 CB ARG A 78 -5.668 -11.046 11.492 1.00 0.00 C ATOM 1184 CG ARG A 78 -4.270 -10.836 10.909 1.00 0.00 C ATOM 1185 CD ARG A 78 -3.375 -10.177 11.959 1.00 0.00 C ATOM 1186 NE ARG A 78 -2.298 -11.170 12.219 1.00 0.00 N ATOM 1187 CZ ARG A 78 -1.404 -10.939 13.141 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -1.726 -10.257 14.206 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -0.188 -11.391 12.999 1.00 0.00 N ATOM 0 H ARG A 78 -5.489 -11.450 8.983 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.736 -10.724 10.864 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.770 -10.492 12.425 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.819 -12.099 11.729 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.845 -11.791 10.601 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.326 -10.210 10.018 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.965 -9.235 11.594 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.932 -9.951 12.868 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.258 -12.032 11.676 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.677 -9.904 14.318 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.027 -10.077 14.927 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.064 -11.925 12.167 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.511 -11.210 13.720 1.00 0.00 H new ATOM 1203 N ASN A 79 -5.787 -8.720 9.233 1.00 0.00 N ATOM 1204 CA ASN A 79 -5.609 -7.279 8.894 1.00 0.00 C ATOM 1205 C ASN A 79 -5.142 -6.465 10.105 1.00 0.00 C ATOM 1206 O ASN A 79 -5.517 -6.709 11.234 1.00 0.00 O ATOM 1207 CB ASN A 79 -6.978 -6.803 8.419 1.00 0.00 C ATOM 1208 CG ASN A 79 -7.659 -7.895 7.593 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -8.279 -8.788 8.134 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -7.568 -7.861 6.292 1.00 0.00 N ATOM 0 H ASN A 79 -5.251 -9.367 8.655 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.841 -7.146 8.132 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.599 -6.545 9.277 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.869 -5.899 7.820 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.017 -8.584 5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.047 -7.111 5.837 1.00 0.00 H new ATOM 1217 N VAL A 80 -4.313 -5.495 9.849 1.00 0.00 N ATOM 1218 CA VAL A 80 -3.771 -4.620 10.926 1.00 0.00 C ATOM 1219 C VAL A 80 -3.787 -3.174 10.394 1.00 0.00 C ATOM 1220 O VAL A 80 -4.236 -2.963 9.290 1.00 0.00 O ATOM 1221 CB VAL A 80 -2.354 -5.192 11.135 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -1.284 -4.288 10.507 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -2.085 -5.368 12.630 1.00 0.00 C ATOM 0 H VAL A 80 -3.979 -5.265 8.913 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.320 -4.600 11.867 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.301 -6.161 10.638 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.298 -4.722 10.673 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.465 -4.200 9.436 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.328 -3.300 10.965 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.083 -5.772 12.774 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.162 -4.402 13.130 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.818 -6.055 13.053 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.295 -2.214 11.143 1.00 0.00 N ATOM 1234 CA PRO A 81 -3.283 -0.824 10.620 1.00 0.00 C ATOM 1235 C PRO A 81 -2.414 -0.785 9.369 1.00 0.00 C ATOM 1236 O PRO A 81 -1.227 -1.041 9.423 1.00 0.00 O ATOM 1237 CB PRO A 81 -2.690 -0.009 11.762 1.00 0.00 C ATOM 1238 CG PRO A 81 -1.919 -1.005 12.561 1.00 0.00 C ATOM 1239 CD PRO A 81 -2.711 -2.285 12.487 1.00 0.00 C ATOM 0 HA PRO A 81 -4.261 -0.438 10.331 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.046 0.788 11.390 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.469 0.464 12.360 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.916 -1.141 12.156 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.804 -0.675 13.593 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.077 -3.163 12.609 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.477 -2.335 13.261 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.012 -0.499 8.242 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.253 -0.488 6.959 1.00 0.00 C ATOM 1249 C PHE A 82 -3.204 -0.294 5.773 1.00 0.00 C ATOM 1250 O PHE A 82 -4.199 0.400 5.850 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.637 -1.893 6.871 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.711 -2.938 6.577 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.077 -2.667 6.790 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.328 -4.196 6.097 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.040 -3.645 6.524 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.298 -5.175 5.835 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.649 -4.898 6.049 1.00 0.00 C ATOM 0 H PHE A 82 -4.002 -0.271 8.156 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.517 0.315 6.929 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.879 -1.914 6.088 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.135 -2.134 7.808 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.382 -1.699 7.160 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.284 -4.413 5.928 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.086 -3.431 6.686 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.999 -6.145 5.467 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.393 -5.654 5.847 1.00 0.00 H new ATOM 1267 N ILE A 83 -2.908 -0.960 4.691 1.00 0.00 N ATOM 1268 CA ILE A 83 -3.774 -0.906 3.489 1.00 0.00 C ATOM 1269 C ILE A 83 -3.274 -1.972 2.520 1.00 0.00 C ATOM 1270 O ILE A 83 -2.160 -2.434 2.656 1.00 0.00 O ATOM 1271 CB ILE A 83 -3.630 0.511 2.954 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -4.963 1.237 3.116 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.241 0.509 1.468 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -4.849 2.288 4.224 1.00 0.00 C ATOM 0 H ILE A 83 -2.083 -1.551 4.592 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.828 -1.111 3.674 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.843 1.014 3.515 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.244 1.714 2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.750 0.523 3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.146 1.536 1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.290 -0.008 1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.011 -0.003 0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.803 2.804 4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.588 1.800 5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.075 3.010 3.963 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.074 -2.397 1.577 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.597 -3.472 0.660 1.00 0.00 C ATOM 1288 C PHE A 84 -4.357 -3.494 -0.668 1.00 0.00 C ATOM 1289 O PHE A 84 -5.422 -2.916 -0.825 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.914 -4.746 1.431 1.00 0.00 C ATOM 1291 CG PHE A 84 -3.163 -5.929 0.846 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -3.617 -6.529 -0.336 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -2.016 -6.428 1.481 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -2.929 -7.616 -0.884 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -1.332 -7.520 0.930 1.00 0.00 C ATOM 1296 CZ PHE A 84 -1.789 -8.111 -0.253 1.00 0.00 C ATOM 0 H PHE A 84 -5.019 -2.054 1.404 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.547 -3.338 0.400 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.643 -4.619 2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.986 -4.938 1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.502 -6.150 -0.826 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.661 -5.971 2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.281 -8.073 -1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.450 -7.906 1.420 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.258 -8.951 -0.677 1.00 0.00 H new ATOM 1306 N ALA A 85 -3.831 -4.207 -1.616 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.527 -4.333 -2.909 1.00 0.00 C ATOM 1308 C ALA A 85 -4.268 -5.715 -3.503 1.00 0.00 C ATOM 1309 O ALA A 85 -3.140 -6.109 -3.699 1.00 0.00 O ATOM 1310 CB ALA A 85 -3.937 -3.267 -3.817 1.00 0.00 C ATOM 0 H ALA A 85 -2.945 -4.708 -1.547 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.604 -4.209 -2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.418 -3.314 -4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.103 -2.283 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.867 -3.438 -3.931 1.00 0.00 H new ATOM 1316 N THR A 86 -5.301 -6.442 -3.808 1.00 0.00 N ATOM 1317 CA THR A 86 -5.114 -7.785 -4.415 1.00 0.00 C ATOM 1318 C THR A 86 -6.131 -7.972 -5.545 1.00 0.00 C ATOM 1319 O THR A 86 -7.036 -7.180 -5.712 1.00 0.00 O ATOM 1320 CB THR A 86 -5.336 -8.815 -3.300 1.00 0.00 C ATOM 1321 OG1 THR A 86 -5.813 -10.019 -3.879 1.00 0.00 O ATOM 1322 CG2 THR A 86 -6.354 -8.315 -2.266 1.00 0.00 C ATOM 0 H THR A 86 -6.271 -6.163 -3.663 1.00 0.00 H new ATOM 0 HA THR A 86 -4.117 -7.903 -4.839 1.00 0.00 H new ATOM 0 HB THR A 86 -4.388 -8.980 -2.788 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.535 -10.384 -3.326 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.486 -9.070 -1.491 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.991 -7.392 -1.815 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.309 -8.128 -2.757 1.00 0.00 H new ATOM 1330 N GLY A 87 -5.978 -8.996 -6.335 1.00 0.00 N ATOM 1331 CA GLY A 87 -6.921 -9.213 -7.468 1.00 0.00 C ATOM 1332 C GLY A 87 -8.372 -9.337 -6.979 1.00 0.00 C ATOM 1333 O GLY A 87 -9.288 -9.355 -7.778 1.00 0.00 O ATOM 0 H GLY A 87 -5.240 -9.694 -6.246 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.843 -8.384 -8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.640 -10.117 -8.008 1.00 0.00 H new ATOM 1337 N TYR A 88 -8.616 -9.433 -5.693 1.00 0.00 N ATOM 1338 CA TYR A 88 -10.038 -9.564 -5.249 1.00 0.00 C ATOM 1339 C TYR A 88 -10.538 -8.310 -4.502 1.00 0.00 C ATOM 1340 O TYR A 88 -11.728 -8.139 -4.324 1.00 0.00 O ATOM 1341 CB TYR A 88 -10.104 -10.828 -4.380 1.00 0.00 C ATOM 1342 CG TYR A 88 -9.191 -10.728 -3.184 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -9.605 -10.025 -2.053 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -7.945 -11.365 -3.197 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -8.776 -9.955 -0.928 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -7.112 -11.294 -2.075 1.00 0.00 C ATOM 1347 CZ TYR A 88 -7.528 -10.589 -0.939 1.00 0.00 C ATOM 1348 OH TYR A 88 -6.710 -10.525 0.169 1.00 0.00 O ATOM 0 H TYR A 88 -7.915 -9.427 -4.952 1.00 0.00 H new ATOM 0 HA TYR A 88 -10.704 -9.652 -6.108 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -11.129 -10.986 -4.044 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.827 -11.696 -4.978 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.567 -9.534 -2.045 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.627 -11.911 -4.073 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -9.099 -9.412 -0.052 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -6.149 -11.783 -2.085 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.882 -11.019 -0.007 1.00 0.00 H new ATOM 1358 N GLY A 89 -9.677 -7.403 -4.104 1.00 0.00 N ATOM 1359 CA GLY A 89 -10.189 -6.165 -3.431 1.00 0.00 C ATOM 1360 C GLY A 89 -10.079 -6.245 -1.902 1.00 0.00 C ATOM 1361 O GLY A 89 -10.974 -5.833 -1.191 1.00 0.00 O ATOM 0 H GLY A 89 -8.664 -7.462 -4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.628 -5.301 -3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.231 -6.007 -3.710 1.00 0.00 H new ATOM 1365 N SER A 90 -8.988 -6.737 -1.389 1.00 0.00 N ATOM 1366 CA SER A 90 -8.816 -6.805 0.099 1.00 0.00 C ATOM 1367 C SER A 90 -10.031 -7.444 0.795 1.00 0.00 C ATOM 1368 O SER A 90 -10.182 -7.331 1.994 1.00 0.00 O ATOM 1369 CB SER A 90 -8.676 -5.347 0.535 1.00 0.00 C ATOM 1370 OG SER A 90 -7.381 -5.141 1.084 1.00 0.00 O ATOM 0 H SER A 90 -8.203 -7.097 -1.932 1.00 0.00 H new ATOM 0 HA SER A 90 -7.958 -7.422 0.368 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.832 -4.685 -0.317 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.439 -5.102 1.273 1.00 0.00 H new ATOM 0 HG SER A 90 -6.908 -4.461 0.560 1.00 0.00 H new ATOM 1376 N LYS A 91 -10.884 -8.110 0.057 1.00 0.00 N ATOM 1377 CA LYS A 91 -12.092 -8.764 0.662 1.00 0.00 C ATOM 1378 C LYS A 91 -12.598 -7.995 1.889 1.00 0.00 C ATOM 1379 O LYS A 91 -12.941 -8.578 2.898 1.00 0.00 O ATOM 1380 CB LYS A 91 -11.633 -10.175 1.054 1.00 0.00 C ATOM 1381 CG LYS A 91 -10.731 -10.116 2.291 1.00 0.00 C ATOM 1382 CD LYS A 91 -11.161 -11.189 3.295 1.00 0.00 C ATOM 1383 CE LYS A 91 -10.280 -11.098 4.543 1.00 0.00 C ATOM 1384 NZ LYS A 91 -11.230 -10.900 5.673 1.00 0.00 N ATOM 0 H LYS A 91 -10.796 -8.231 -0.952 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.925 -8.783 -0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.500 -10.803 1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -11.095 -10.633 0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.691 -10.270 2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.791 -9.129 2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.208 -11.052 3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.074 -12.179 2.846 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.691 -12.005 4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.576 -10.269 4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.699 -10.828 6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.772 -10.025 5.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.883 -11.708 5.723 1.00 0.00 H new ATOM 1398 N GLY A 92 -12.648 -6.693 1.813 1.00 0.00 N ATOM 1399 CA GLY A 92 -13.134 -5.897 2.979 1.00 0.00 C ATOM 1400 C GLY A 92 -12.150 -6.036 4.143 1.00 0.00 C ATOM 1401 O GLY A 92 -12.514 -6.434 5.232 1.00 0.00 O ATOM 0 H GLY A 92 -12.374 -6.146 0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.236 -4.848 2.699 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.122 -6.243 3.282 1.00 0.00 H new ATOM 1405 N LEU A 93 -10.907 -5.712 3.920 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.895 -5.823 5.011 1.00 0.00 C ATOM 1407 C LEU A 93 -10.335 -4.991 6.226 1.00 0.00 C ATOM 1408 O LEU A 93 -11.061 -4.026 6.099 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.591 -5.292 4.381 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.191 -3.935 4.976 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -6.860 -3.492 4.371 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -9.265 -2.895 4.651 1.00 0.00 C ATOM 0 H LEU A 93 -10.546 -5.374 3.028 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.769 -6.841 5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.788 -6.012 4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.720 -5.194 3.303 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.092 -4.028 6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.572 -2.528 4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.092 -4.231 4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.964 -3.400 3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.979 -1.932 5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.365 -2.801 3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.217 -3.210 5.077 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.892 -5.353 7.398 1.00 0.00 N ATOM 1425 CA ASP A 94 -10.273 -4.569 8.609 1.00 0.00 C ATOM 1426 C ASP A 94 -9.048 -3.821 9.142 1.00 0.00 C ATOM 1427 O ASP A 94 -7.963 -4.361 9.205 1.00 0.00 O ATOM 1428 CB ASP A 94 -10.792 -5.598 9.621 1.00 0.00 C ATOM 1429 CG ASP A 94 -9.621 -6.314 10.293 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -8.957 -5.691 11.104 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -9.409 -7.476 9.987 1.00 0.00 O ATOM 0 H ASP A 94 -9.285 -6.154 7.571 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.034 -3.817 8.401 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.405 -5.102 10.374 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.431 -6.324 9.118 1.00 0.00 H new ATOM 1436 N THR A 95 -9.204 -2.582 9.514 1.00 0.00 N ATOM 1437 CA THR A 95 -8.031 -1.815 10.025 1.00 0.00 C ATOM 1438 C THR A 95 -8.465 -0.432 10.505 1.00 0.00 C ATOM 1439 O THR A 95 -9.568 0.009 10.249 1.00 0.00 O ATOM 1440 CB THR A 95 -7.098 -1.693 8.819 1.00 0.00 C ATOM 1441 OG1 THR A 95 -5.898 -1.037 9.198 1.00 0.00 O ATOM 1442 CG2 THR A 95 -7.793 -0.904 7.710 1.00 0.00 C ATOM 0 H THR A 95 -10.085 -2.069 9.488 1.00 0.00 H new ATOM 0 HA THR A 95 -7.553 -2.305 10.873 1.00 0.00 H new ATOM 0 HB THR A 95 -6.855 -2.690 8.453 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.129 -1.584 8.935 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.126 -0.818 6.852 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.704 -1.422 7.411 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.045 0.092 8.075 1.00 0.00 H new ATOM 1450 N ARG A 96 -7.597 0.261 11.187 1.00 0.00 N ATOM 1451 CA ARG A 96 -7.949 1.625 11.672 1.00 0.00 C ATOM 1452 C ARG A 96 -8.090 2.576 10.484 1.00 0.00 C ATOM 1453 O ARG A 96 -8.484 3.716 10.629 1.00 0.00 O ATOM 1454 CB ARG A 96 -6.776 2.046 12.557 1.00 0.00 C ATOM 1455 CG ARG A 96 -7.049 1.619 14.001 1.00 0.00 C ATOM 1456 CD ARG A 96 -6.409 0.256 14.270 1.00 0.00 C ATOM 1457 NE ARG A 96 -6.993 -0.182 15.567 1.00 0.00 N ATOM 1458 CZ ARG A 96 -6.897 -1.428 15.938 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -5.945 -2.180 15.460 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -7.753 -1.921 16.791 1.00 0.00 N ATOM 0 H ARG A 96 -6.659 -0.058 11.430 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.894 1.643 12.215 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.854 1.588 12.199 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.637 3.126 12.506 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.648 2.361 14.691 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.123 1.567 14.177 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.636 -0.453 13.473 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.323 0.332 14.329 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.469 0.493 16.166 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.275 -1.793 14.795 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.871 -3.155 15.751 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.496 -1.332 17.166 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.679 -2.896 17.082 1.00 0.00 H new ATOM 1474 N TYR A 97 -7.770 2.114 9.306 1.00 0.00 N ATOM 1475 CA TYR A 97 -7.887 2.990 8.110 1.00 0.00 C ATOM 1476 C TYR A 97 -9.354 3.086 7.682 1.00 0.00 C ATOM 1477 O TYR A 97 -9.766 4.060 7.087 1.00 0.00 O ATOM 1478 CB TYR A 97 -7.012 2.309 7.054 1.00 0.00 C ATOM 1479 CG TYR A 97 -5.571 2.501 7.458 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -5.043 1.761 8.522 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -4.771 3.437 6.793 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -3.718 1.953 8.920 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -3.444 3.633 7.196 1.00 0.00 C ATOM 1484 CZ TYR A 97 -2.918 2.889 8.258 1.00 0.00 C ATOM 1485 OH TYR A 97 -1.613 3.084 8.662 1.00 0.00 O ATOM 0 H TYR A 97 -7.433 1.169 9.122 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.562 4.016 8.284 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.252 1.248 6.985 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.194 2.741 6.070 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -5.661 1.040 9.036 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -5.176 4.007 5.970 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -3.312 1.378 9.739 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -2.827 4.358 6.687 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.015 2.538 8.110 1.00 0.00 H new ATOM 1495 N SER A 98 -10.139 2.084 8.010 1.00 0.00 N ATOM 1496 CA SER A 98 -11.595 2.074 7.668 1.00 0.00 C ATOM 1497 C SER A 98 -11.809 1.547 6.257 1.00 0.00 C ATOM 1498 O SER A 98 -12.527 2.145 5.485 1.00 0.00 O ATOM 1499 CB SER A 98 -12.090 3.520 7.775 1.00 0.00 C ATOM 1500 OG SER A 98 -11.432 4.168 8.853 1.00 0.00 O ATOM 0 H SER A 98 -9.821 1.255 8.512 1.00 0.00 H new ATOM 0 HA SER A 98 -12.145 1.422 8.347 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.895 4.052 6.844 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.169 3.536 7.931 1.00 0.00 H new ATOM 0 HG SER A 98 -10.704 4.724 8.505 1.00 0.00 H new ATOM 1506 N ASN A 99 -11.201 0.430 5.923 1.00 0.00 N ATOM 1507 CA ASN A 99 -11.378 -0.157 4.556 1.00 0.00 C ATOM 1508 C ASN A 99 -10.841 0.798 3.488 1.00 0.00 C ATOM 1509 O ASN A 99 -9.957 0.466 2.724 1.00 0.00 O ATOM 1510 CB ASN A 99 -12.885 -0.342 4.416 1.00 0.00 C ATOM 1511 CG ASN A 99 -13.302 -1.612 5.147 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -13.872 -2.511 4.562 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -13.037 -1.718 6.418 1.00 0.00 N ATOM 0 H ASN A 99 -10.588 -0.101 6.542 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.835 -1.093 4.428 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.409 0.519 4.830 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.160 -0.407 3.363 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.308 -2.559 6.927 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -12.558 -0.960 6.904 1.00 0.00 H new ATOM 1520 N ILE A 100 -11.362 1.986 3.455 1.00 0.00 N ATOM 1521 CA ILE A 100 -10.892 3.001 2.478 1.00 0.00 C ATOM 1522 C ILE A 100 -10.662 2.364 1.096 1.00 0.00 C ATOM 1523 O ILE A 100 -11.135 1.276 0.834 1.00 0.00 O ATOM 1524 CB ILE A 100 -9.600 3.552 3.098 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -8.403 2.713 2.669 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -9.689 3.526 4.624 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -7.143 3.466 3.051 1.00 0.00 C ATOM 0 H ILE A 100 -12.107 2.304 4.075 1.00 0.00 H new ATOM 0 HA ILE A 100 -11.617 3.795 2.302 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.474 4.578 2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.427 1.738 3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.429 2.533 1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -8.766 3.920 5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.529 4.139 4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.836 2.500 4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.269 2.886 2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.128 4.431 2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.126 3.623 4.130 1.00 0.00 H new ATOM 1539 N PRO A 101 -9.968 3.079 0.241 1.00 0.00 N ATOM 1540 CA PRO A 101 -9.713 2.587 -1.134 1.00 0.00 C ATOM 1541 C PRO A 101 -8.580 1.547 -1.187 1.00 0.00 C ATOM 1542 O PRO A 101 -7.414 1.869 -1.080 1.00 0.00 O ATOM 1543 CB PRO A 101 -9.322 3.832 -1.883 1.00 0.00 C ATOM 1544 CG PRO A 101 -8.771 4.774 -0.849 1.00 0.00 C ATOM 1545 CD PRO A 101 -9.360 4.398 0.470 1.00 0.00 C ATOM 0 HA PRO A 101 -10.582 2.077 -1.551 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.577 3.611 -2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.181 4.269 -2.392 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.683 4.709 -0.814 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.021 5.805 -1.099 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.597 4.353 1.247 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.103 5.126 0.795 1.00 0.00 H new ATOM 1553 N LEU A 102 -8.932 0.306 -1.382 1.00 0.00 N ATOM 1554 CA LEU A 102 -7.919 -0.797 -1.482 1.00 0.00 C ATOM 1555 C LEU A 102 -8.347 -1.725 -2.627 1.00 0.00 C ATOM 1556 O LEU A 102 -9.521 -1.947 -2.830 1.00 0.00 O ATOM 1557 CB LEU A 102 -7.969 -1.527 -0.136 1.00 0.00 C ATOM 1558 CG LEU A 102 -9.405 -1.574 0.389 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -10.231 -2.528 -0.470 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -9.395 -2.063 1.832 1.00 0.00 C ATOM 0 H LEU A 102 -9.900 -0.002 -1.479 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.909 -0.442 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.583 -2.540 -0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.327 -1.020 0.585 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.845 -0.578 0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.254 -2.561 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.233 -2.178 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.796 -3.526 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.416 -2.098 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.957 -3.060 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.804 -1.381 2.443 1.00 0.00 H new ATOM 1572 N LEU A 103 -7.432 -2.270 -3.387 1.00 0.00 N ATOM 1573 CA LEU A 103 -7.873 -3.168 -4.510 1.00 0.00 C ATOM 1574 C LEU A 103 -6.700 -3.616 -5.397 1.00 0.00 C ATOM 1575 O LEU A 103 -5.918 -4.448 -5.011 1.00 0.00 O ATOM 1576 CB LEU A 103 -8.890 -2.356 -5.329 1.00 0.00 C ATOM 1577 CG LEU A 103 -8.404 -0.917 -5.514 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -8.575 -0.511 -6.980 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -9.235 0.024 -4.637 1.00 0.00 C ATOM 0 H LEU A 103 -6.425 -2.141 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.307 -4.085 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.038 -2.824 -6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.856 -2.358 -4.824 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.354 -0.851 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.230 0.514 -7.116 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -7.990 -1.178 -7.613 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.627 -0.579 -7.256 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.887 1.048 -4.771 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.284 -0.043 -4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.126 -0.263 -3.591 1.00 0.00 H new ATOM 1591 N THR A 104 -6.576 -3.111 -6.597 1.00 0.00 N ATOM 1592 CA THR A 104 -5.457 -3.579 -7.461 1.00 0.00 C ATOM 1593 C THR A 104 -5.158 -2.597 -8.600 1.00 0.00 C ATOM 1594 O THR A 104 -5.040 -1.406 -8.392 1.00 0.00 O ATOM 1595 CB THR A 104 -5.941 -4.917 -8.015 1.00 0.00 C ATOM 1596 OG1 THR A 104 -5.003 -5.398 -8.968 1.00 0.00 O ATOM 1597 CG2 THR A 104 -7.303 -4.728 -8.684 1.00 0.00 C ATOM 0 H THR A 104 -7.190 -2.408 -7.009 1.00 0.00 H new ATOM 0 HA THR A 104 -4.526 -3.663 -6.901 1.00 0.00 H new ATOM 0 HB THR A 104 -6.035 -5.638 -7.203 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.310 -6.258 -9.324 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.650 -5.683 -9.080 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.020 -4.357 -7.951 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.212 -4.009 -9.498 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.002 -3.104 -9.801 1.00 0.00 N ATOM 1606 CA LYS A 105 -4.677 -2.235 -10.967 1.00 0.00 C ATOM 1607 C LYS A 105 -3.319 -1.556 -10.745 1.00 0.00 C ATOM 1608 O LYS A 105 -2.883 -1.394 -9.622 1.00 0.00 O ATOM 1609 CB LYS A 105 -5.810 -1.204 -11.064 1.00 0.00 C ATOM 1610 CG LYS A 105 -6.983 -1.792 -11.850 1.00 0.00 C ATOM 1611 CD LYS A 105 -7.798 -2.727 -10.954 1.00 0.00 C ATOM 1612 CE LYS A 105 -9.135 -3.035 -11.633 1.00 0.00 C ATOM 1613 NZ LYS A 105 -9.827 -1.720 -11.726 1.00 0.00 N ATOM 0 H LYS A 105 -5.088 -4.096 -10.021 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.601 -2.804 -11.893 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.138 -0.916 -10.065 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.449 -0.300 -11.554 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.618 -0.990 -12.225 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.613 -2.338 -12.718 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.247 -3.650 -10.774 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.968 -2.263 -9.983 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.986 -3.474 -12.619 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.719 -3.749 -11.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.819 -1.828 -11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.355 -1.035 -11.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.790 -1.377 -12.707 1.00 0.00 H new ATOM 1627 N PRO A 106 -2.687 -1.189 -11.835 1.00 0.00 N ATOM 1628 CA PRO A 106 -1.361 -0.532 -11.784 1.00 0.00 C ATOM 1629 C PRO A 106 -1.456 1.011 -11.820 1.00 0.00 C ATOM 1630 O PRO A 106 -2.483 1.586 -12.120 1.00 0.00 O ATOM 1631 CB PRO A 106 -0.704 -1.040 -13.065 1.00 0.00 C ATOM 1632 CG PRO A 106 -1.838 -1.373 -14.003 1.00 0.00 C ATOM 1633 CD PRO A 106 -3.128 -1.365 -13.213 1.00 0.00 C ATOM 0 HA PRO A 106 -0.821 -0.759 -10.865 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -0.049 -0.282 -13.496 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.089 -1.918 -12.868 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -1.885 -0.646 -14.814 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.679 -2.350 -14.459 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -3.786 -0.556 -13.529 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.682 -2.295 -13.341 1.00 0.00 H new ATOM 1641 N PHE A 107 -0.352 1.663 -11.542 1.00 0.00 N ATOM 1642 CA PHE A 107 -0.268 3.165 -11.566 1.00 0.00 C ATOM 1643 C PHE A 107 -1.576 3.863 -11.139 1.00 0.00 C ATOM 1644 O PHE A 107 -1.982 3.771 -10.001 1.00 0.00 O ATOM 1645 CB PHE A 107 0.113 3.507 -13.009 1.00 0.00 C ATOM 1646 CG PHE A 107 1.589 3.254 -13.199 1.00 0.00 C ATOM 1647 CD1 PHE A 107 2.048 1.965 -13.495 1.00 0.00 C ATOM 1648 CD2 PHE A 107 2.500 4.309 -13.068 1.00 0.00 C ATOM 1649 CE1 PHE A 107 3.418 1.732 -13.661 1.00 0.00 C ATOM 1650 CE2 PHE A 107 3.870 4.076 -13.233 1.00 0.00 C ATOM 1651 CZ PHE A 107 4.330 2.787 -13.529 1.00 0.00 C ATOM 0 H PHE A 107 0.524 1.204 -11.291 1.00 0.00 H new ATOM 0 HA PHE A 107 0.462 3.525 -10.841 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -0.466 2.900 -13.705 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.121 4.550 -13.224 1.00 0.00 H new ATOM 0 HD1 PHE A 107 1.345 1.151 -13.595 1.00 0.00 H new ATOM 0 HD2 PHE A 107 2.145 5.303 -12.839 1.00 0.00 H new ATOM 0 HE1 PHE A 107 3.772 0.738 -13.891 1.00 0.00 H new ATOM 0 HE2 PHE A 107 4.572 4.890 -13.132 1.00 0.00 H new ATOM 0 HZ PHE A 107 5.387 2.606 -13.655 1.00 0.00 H new ATOM 1661 N LEU A 108 -2.213 4.605 -12.020 1.00 0.00 N ATOM 1662 CA LEU A 108 -3.457 5.337 -11.619 1.00 0.00 C ATOM 1663 C LEU A 108 -4.463 4.387 -10.982 1.00 0.00 C ATOM 1664 O LEU A 108 -5.340 4.812 -10.244 1.00 0.00 O ATOM 1665 CB LEU A 108 -3.999 5.978 -12.922 1.00 0.00 C ATOM 1666 CG LEU A 108 -5.130 5.150 -13.579 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -4.679 3.707 -13.813 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -6.388 5.163 -12.698 1.00 0.00 C ATOM 0 H LEU A 108 -1.926 4.733 -12.990 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.261 6.100 -10.866 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.370 6.979 -12.701 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.180 6.092 -13.632 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.365 5.605 -14.541 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.489 3.143 -14.275 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.810 3.700 -14.471 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.416 3.249 -12.860 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.173 4.576 -13.175 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.155 4.733 -11.724 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.731 6.190 -12.568 1.00 0.00 H new ATOM 1680 N ASP A 109 -4.338 3.118 -11.283 1.00 0.00 N ATOM 1681 CA ASP A 109 -5.263 2.073 -10.750 1.00 0.00 C ATOM 1682 C ASP A 109 -6.210 2.636 -9.694 1.00 0.00 C ATOM 1683 O ASP A 109 -7.145 3.345 -10.008 1.00 0.00 O ATOM 1684 CB ASP A 109 -4.326 1.023 -10.167 1.00 0.00 C ATOM 1685 CG ASP A 109 -3.247 1.681 -9.307 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -3.546 2.681 -8.676 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -2.140 1.168 -9.288 1.00 0.00 O ATOM 0 H ASP A 109 -3.609 2.754 -11.896 1.00 0.00 H new ATOM 0 HA ASP A 109 -5.920 1.667 -11.519 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.895 0.314 -9.566 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.860 0.456 -10.973 1.00 0.00 H new ATOM 1692 N SER A 110 -5.975 2.351 -8.455 1.00 0.00 N ATOM 1693 CA SER A 110 -6.848 2.892 -7.399 1.00 0.00 C ATOM 1694 C SER A 110 -6.298 4.224 -6.927 1.00 0.00 C ATOM 1695 O SER A 110 -6.929 4.917 -6.169 1.00 0.00 O ATOM 1696 CB SER A 110 -6.754 1.881 -6.291 1.00 0.00 C ATOM 1697 OG SER A 110 -7.866 2.029 -5.418 1.00 0.00 O ATOM 0 H SER A 110 -5.209 1.762 -8.127 1.00 0.00 H new ATOM 0 HA SER A 110 -7.873 3.055 -7.733 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.735 0.873 -6.705 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.824 2.016 -5.739 1.00 0.00 H new ATOM 0 HG SER A 110 -7.548 2.110 -4.494 1.00 0.00 H new ATOM 1703 N GLU A 111 -5.118 4.589 -7.377 1.00 0.00 N ATOM 1704 CA GLU A 111 -4.521 5.893 -6.953 1.00 0.00 C ATOM 1705 C GLU A 111 -5.630 6.925 -6.824 1.00 0.00 C ATOM 1706 O GLU A 111 -5.607 7.798 -5.977 1.00 0.00 O ATOM 1707 CB GLU A 111 -3.567 6.275 -8.081 1.00 0.00 C ATOM 1708 CG GLU A 111 -2.209 6.628 -7.486 1.00 0.00 C ATOM 1709 CD GLU A 111 -1.970 8.135 -7.607 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -2.887 8.829 -8.014 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -0.874 8.567 -7.291 1.00 0.00 O ATOM 0 H GLU A 111 -4.546 4.039 -8.018 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.006 5.835 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.466 5.449 -8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.965 7.122 -8.639 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.170 6.327 -6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -1.421 6.082 -8.004 1.00 0.00 H new ATOM 1718 N LEU A 112 -6.637 6.773 -7.629 1.00 0.00 N ATOM 1719 CA LEU A 112 -7.802 7.699 -7.530 1.00 0.00 C ATOM 1720 C LEU A 112 -8.557 7.326 -6.264 1.00 0.00 C ATOM 1721 O LEU A 112 -8.556 8.044 -5.284 1.00 0.00 O ATOM 1722 CB LEU A 112 -8.721 7.485 -8.758 1.00 0.00 C ATOM 1723 CG LEU A 112 -8.008 6.808 -9.938 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -8.915 5.714 -10.506 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -7.737 7.848 -11.023 1.00 0.00 C ATOM 0 H LEU A 112 -6.709 6.054 -8.349 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.482 8.741 -7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.576 6.877 -8.462 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.112 8.449 -9.083 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.067 6.372 -9.603 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.417 5.228 -11.345 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.125 4.977 -9.731 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.850 6.158 -10.847 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.231 7.373 -11.864 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.681 8.275 -11.362 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.105 8.639 -10.619 1.00 0.00 H new ATOM 1737 N GLU A 113 -9.165 6.175 -6.270 1.00 0.00 N ATOM 1738 CA GLU A 113 -9.882 5.709 -5.061 1.00 0.00 C ATOM 1739 C GLU A 113 -8.900 5.686 -3.901 1.00 0.00 C ATOM 1740 O GLU A 113 -9.105 6.324 -2.896 1.00 0.00 O ATOM 1741 CB GLU A 113 -10.352 4.294 -5.404 1.00 0.00 C ATOM 1742 CG GLU A 113 -11.620 4.373 -6.256 1.00 0.00 C ATOM 1743 CD GLU A 113 -12.538 3.199 -5.914 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -12.142 2.383 -5.099 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -13.622 3.137 -6.471 1.00 0.00 O ATOM 0 H GLU A 113 -9.194 5.537 -7.065 1.00 0.00 H new ATOM 0 HA GLU A 113 -10.720 6.346 -4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.570 3.760 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.549 3.733 -4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.135 5.316 -6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.362 4.350 -7.315 1.00 0.00 H new ATOM 1752 N ALA A 114 -7.828 4.956 -4.054 1.00 0.00 N ATOM 1753 CA ALA A 114 -6.800 4.855 -2.977 1.00 0.00 C ATOM 1754 C ALA A 114 -6.631 6.188 -2.243 1.00 0.00 C ATOM 1755 O ALA A 114 -6.329 6.217 -1.066 1.00 0.00 O ATOM 1756 CB ALA A 114 -5.515 4.455 -3.692 1.00 0.00 C ATOM 0 H ALA A 114 -7.618 4.416 -4.894 1.00 0.00 H new ATOM 0 HA ALA A 114 -7.084 4.130 -2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.708 4.360 -2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.662 3.501 -4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.254 5.218 -4.426 1.00 0.00 H new ATOM 1762 N VAL A 115 -6.811 7.295 -2.912 1.00 0.00 N ATOM 1763 CA VAL A 115 -6.644 8.597 -2.205 1.00 0.00 C ATOM 1764 C VAL A 115 -7.993 9.313 -2.026 1.00 0.00 C ATOM 1765 O VAL A 115 -8.126 10.196 -1.202 1.00 0.00 O ATOM 1766 CB VAL A 115 -5.715 9.414 -3.101 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -5.286 10.683 -2.365 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -4.474 8.585 -3.443 1.00 0.00 C ATOM 0 H VAL A 115 -7.062 7.355 -3.899 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.239 8.462 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 115 -6.240 9.681 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.623 11.267 -3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.167 11.276 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.762 10.412 -1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.812 9.168 -4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -3.950 8.318 -2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.776 7.677 -3.965 1.00 0.00 H new ATOM 1778 N LEU A 116 -8.989 8.958 -2.796 1.00 0.00 N ATOM 1779 CA LEU A 116 -10.315 9.645 -2.667 1.00 0.00 C ATOM 1780 C LEU A 116 -11.276 8.884 -1.740 1.00 0.00 C ATOM 1781 O LEU A 116 -12.194 9.460 -1.193 1.00 0.00 O ATOM 1782 CB LEU A 116 -10.874 9.680 -4.091 1.00 0.00 C ATOM 1783 CG LEU A 116 -12.058 10.648 -4.157 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -11.841 11.635 -5.304 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -13.349 9.863 -4.400 1.00 0.00 C ATOM 0 H LEU A 116 -8.945 8.227 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.202 10.636 -2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.097 9.992 -4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.191 8.682 -4.392 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.136 11.191 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -12.683 12.326 -5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.922 12.195 -5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -11.764 11.089 -6.244 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -14.191 10.553 -4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -13.273 9.319 -5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.504 9.156 -3.585 1.00 0.00 H new