USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 HIS :FLIP no HD1:sc= -0.31 F(o=-1.2,f=1.1) USER MOD Set 1.2: A 66 THR OG1 : rot -112:sc= 1.37 USER MOD Single : A 12 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.023) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 50:sc= 0.0588 USER MOD Single : A 24 THR OG1 : rot 72:sc= 0.385 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.868 X(o=-0.87,f=-1.1) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 159:sc= -0.598 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 136:sc= -4.63! (180deg=-5.84!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0165) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -127:sc= -8.36! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 81:sc= -1.06 USER MOD Single : A 69 ASN : amide:sc= -2.25 K(o=-2.3,f=-5.7!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.215 X(o=-0.22,f=-0.15) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00865 USER MOD Single : A 80 SER OG : rot 180:sc= -0.245 USER MOD Single : A 83 THR OG1 : rot 110:sc= 1.01 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 141:sc= -0.741 (180deg=-3.39!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 67:sc= 0.501 USER MOD ----------------------------------------------------------------- ATOM 168 N HIS A 12 13.208 11.208 -8.501 1.00 51.01 N ATOM 169 CA HIS A 12 11.975 11.603 -7.829 1.00 21.52 C ATOM 170 C HIS A 12 12.203 12.830 -6.952 1.00 23.12 C ATOM 171 O HIS A 12 13.164 12.887 -6.184 1.00 42.33 O ATOM 172 CB HIS A 12 11.440 10.448 -6.981 1.00 54.13 C ATOM 173 CG HIS A 12 10.407 9.620 -7.681 1.00 74.14 C ATOM 174 ND1 HIS A 12 9.541 8.777 -7.017 1.00 62.41 N ATOM 175 CD2 HIS A 12 10.102 9.510 -8.996 1.00 13.24 C ATOM 176 CE1 HIS A 12 8.750 8.183 -7.892 1.00 71.34 C ATOM 177 NE2 HIS A 12 9.069 8.611 -9.100 1.00 62.04 N ATOM 0 HA HIS A 12 11.239 11.856 -8.592 1.00 21.52 H new ATOM 0 HB2 HIS A 12 12.272 9.806 -6.689 1.00 54.13 H new ATOM 0 HB3 HIS A 12 11.011 10.850 -6.063 1.00 54.13 H new ATOM 0 HD2 HIS A 12 10.582 10.032 -9.811 1.00 13.24 H new ATOM 0 HE1 HIS A 12 7.974 7.469 -7.659 1.00 71.34 H new ATOM 0 HE2 HIS A 12 8.621 8.321 -9.969 1.00 62.04 H new ATOM 185 N VAL A 13 11.314 13.811 -7.071 1.00 70.45 N ATOM 186 CA VAL A 13 11.418 15.037 -6.290 1.00 22.24 C ATOM 187 C VAL A 13 10.222 15.199 -5.359 1.00 34.51 C ATOM 188 O VAL A 13 9.096 14.844 -5.711 1.00 63.40 O ATOM 189 CB VAL A 13 11.518 16.276 -7.199 1.00 62.33 C ATOM 190 CG1 VAL A 13 12.721 16.164 -8.123 1.00 45.31 C ATOM 191 CG2 VAL A 13 10.236 16.454 -7.999 1.00 64.20 C ATOM 0 H VAL A 13 10.513 13.780 -7.702 1.00 70.45 H new ATOM 0 HA VAL A 13 12.329 14.957 -5.697 1.00 22.24 H new ATOM 0 HB VAL A 13 11.653 17.157 -6.571 1.00 62.33 H new ATOM 0 HG11 VAL A 13 12.776 17.048 -8.758 1.00 45.31 H new ATOM 0 HG12 VAL A 13 13.631 16.088 -7.528 1.00 45.31 H new ATOM 0 HG13 VAL A 13 12.620 15.276 -8.746 1.00 45.31 H new ATOM 0 HG21 VAL A 13 10.324 17.334 -8.636 1.00 64.20 H new ATOM 0 HG22 VAL A 13 10.068 15.573 -8.618 1.00 64.20 H new ATOM 0 HG23 VAL A 13 9.396 16.583 -7.316 1.00 64.20 H new ATOM 201 N ILE A 14 10.472 15.737 -4.170 1.00 61.32 N ATOM 202 CA ILE A 14 9.415 15.947 -3.189 1.00 52.02 C ATOM 203 C ILE A 14 9.505 17.339 -2.573 1.00 42.14 C ATOM 204 O ILE A 14 10.417 18.107 -2.879 1.00 5.52 O ATOM 205 CB ILE A 14 9.473 14.896 -2.065 1.00 75.11 C ATOM 206 CG1 ILE A 14 10.496 15.307 -1.004 1.00 53.35 C ATOM 207 CG2 ILE A 14 9.815 13.528 -2.636 1.00 75.13 C ATOM 208 CD1 ILE A 14 11.881 15.549 -1.563 1.00 14.43 C ATOM 0 H ILE A 14 11.398 16.035 -3.863 1.00 61.32 H new ATOM 0 HA ILE A 14 8.468 15.848 -3.720 1.00 52.02 H new ATOM 0 HB ILE A 14 8.492 14.837 -1.593 1.00 75.11 H new ATOM 0 HG12 ILE A 14 10.149 16.214 -0.508 1.00 53.35 H new ATOM 0 HG13 ILE A 14 10.551 14.529 -0.243 1.00 53.35 H new ATOM 0 HG21 ILE A 14 9.852 12.796 -1.829 1.00 75.13 H new ATOM 0 HG22 ILE A 14 9.053 13.234 -3.358 1.00 75.13 H new ATOM 0 HG23 ILE A 14 10.785 13.572 -3.131 1.00 75.13 H new ATOM 0 HD11 ILE A 14 12.554 15.837 -0.755 1.00 14.43 H new ATOM 0 HD12 ILE A 14 12.248 14.637 -2.034 1.00 14.43 H new ATOM 0 HD13 ILE A 14 11.840 16.348 -2.303 1.00 14.43 H new ATOM 220 N LYS A 15 8.554 17.658 -1.702 1.00 74.35 N ATOM 221 CA LYS A 15 8.526 18.956 -1.040 1.00 10.04 C ATOM 222 C LYS A 15 7.596 18.930 0.169 1.00 1.13 C ATOM 223 O LYS A 15 6.905 19.908 0.454 1.00 42.31 O ATOM 224 CB LYS A 15 8.076 20.042 -2.019 1.00 41.32 C ATOM 225 CG LYS A 15 6.727 19.763 -2.660 1.00 4.14 C ATOM 226 CD LYS A 15 6.882 19.181 -4.055 1.00 4.32 C ATOM 227 CE LYS A 15 5.759 18.209 -4.381 1.00 62.01 C ATOM 228 NZ LYS A 15 4.667 18.863 -5.153 1.00 74.34 N ATOM 0 H LYS A 15 7.791 17.034 -1.438 1.00 74.35 H new ATOM 0 HA LYS A 15 9.535 19.182 -0.696 1.00 10.04 H new ATOM 0 HB2 LYS A 15 8.029 20.996 -1.494 1.00 41.32 H new ATOM 0 HB3 LYS A 15 8.826 20.146 -2.803 1.00 41.32 H new ATOM 0 HG2 LYS A 15 6.163 19.069 -2.036 1.00 4.14 H new ATOM 0 HG3 LYS A 15 6.150 20.686 -2.712 1.00 4.14 H new ATOM 0 HD2 LYS A 15 6.891 19.988 -4.788 1.00 4.32 H new ATOM 0 HD3 LYS A 15 7.841 18.669 -4.132 1.00 4.32 H new ATOM 0 HE2 LYS A 15 6.158 17.372 -4.954 1.00 62.01 H new ATOM 0 HE3 LYS A 15 5.354 17.798 -3.456 1.00 62.01 H new ATOM 0 HZ1 LYS A 15 3.921 18.168 -5.356 1.00 74.34 H new ATOM 0 HZ2 LYS A 15 4.269 19.646 -4.596 1.00 74.34 H new ATOM 0 HZ3 LYS A 15 5.048 19.233 -6.047 1.00 74.34 H new ATOM 242 N SER A 16 7.585 17.805 0.878 1.00 50.44 N ATOM 243 CA SER A 16 6.738 17.652 2.055 1.00 61.23 C ATOM 244 C SER A 16 7.172 16.446 2.883 1.00 61.04 C ATOM 245 O SER A 16 7.882 15.566 2.394 1.00 33.51 O ATOM 246 CB SER A 16 5.274 17.499 1.639 1.00 33.11 C ATOM 247 OG SER A 16 4.531 18.666 1.948 1.00 23.33 O ATOM 0 H SER A 16 8.153 16.987 0.658 1.00 50.44 H new ATOM 0 HA SER A 16 6.843 18.548 2.667 1.00 61.23 H new ATOM 0 HB2 SER A 16 5.216 17.300 0.569 1.00 33.11 H new ATOM 0 HB3 SER A 16 4.836 16.640 2.147 1.00 33.11 H new ATOM 0 HG SER A 16 4.999 19.454 1.600 1.00 23.33 H new ATOM 253 N LEU A 17 6.741 16.413 4.139 1.00 60.24 N ATOM 254 CA LEU A 17 7.084 15.315 5.037 1.00 41.44 C ATOM 255 C LEU A 17 6.364 14.034 4.630 1.00 32.20 C ATOM 256 O LEU A 17 6.992 12.994 4.435 1.00 75.43 O ATOM 257 CB LEU A 17 6.726 15.679 6.479 1.00 44.54 C ATOM 258 CG LEU A 17 7.672 15.152 7.558 1.00 3.42 C ATOM 259 CD1 LEU A 17 9.048 15.784 7.417 1.00 65.01 C ATOM 260 CD2 LEU A 17 7.101 15.418 8.944 1.00 43.15 C ATOM 0 H LEU A 17 6.154 17.133 4.559 1.00 60.24 H new ATOM 0 HA LEU A 17 8.158 15.144 4.968 1.00 41.44 H new ATOM 0 HB2 LEU A 17 6.685 16.765 6.559 1.00 44.54 H new ATOM 0 HB3 LEU A 17 5.724 15.306 6.689 1.00 44.54 H new ATOM 0 HG LEU A 17 7.775 14.075 7.429 1.00 3.42 H new ATOM 0 HD11 LEU A 17 9.708 15.397 8.194 1.00 65.01 H new ATOM 0 HD12 LEU A 17 9.460 15.543 6.437 1.00 65.01 H new ATOM 0 HD13 LEU A 17 8.964 16.866 7.519 1.00 65.01 H new ATOM 0 HD21 LEU A 17 7.787 15.036 9.700 1.00 43.15 H new ATOM 0 HD22 LEU A 17 6.968 16.491 9.083 1.00 43.15 H new ATOM 0 HD23 LEU A 17 6.138 14.918 9.043 1.00 43.15 H new ATOM 272 N GLU A 18 5.043 14.118 4.503 1.00 62.13 N ATOM 273 CA GLU A 18 4.239 12.964 4.118 1.00 55.52 C ATOM 274 C GLU A 18 4.799 12.305 2.861 1.00 24.22 C ATOM 275 O GLU A 18 4.973 11.088 2.812 1.00 24.33 O ATOM 276 CB GLU A 18 2.786 13.384 3.882 1.00 70.21 C ATOM 277 CG GLU A 18 1.906 12.262 3.356 1.00 44.13 C ATOM 278 CD GLU A 18 0.659 12.057 4.193 1.00 22.14 C ATOM 279 OE1 GLU A 18 0.739 11.333 5.208 1.00 62.21 O ATOM 280 OE2 GLU A 18 -0.396 12.620 3.835 1.00 72.41 O ATOM 0 H GLU A 18 4.508 14.972 4.661 1.00 62.13 H new ATOM 0 HA GLU A 18 4.274 12.241 4.933 1.00 55.52 H new ATOM 0 HB2 GLU A 18 2.367 13.755 4.818 1.00 70.21 H new ATOM 0 HB3 GLU A 18 2.766 14.212 3.174 1.00 70.21 H new ATOM 0 HG2 GLU A 18 1.617 12.483 2.329 1.00 44.13 H new ATOM 0 HG3 GLU A 18 2.480 11.336 3.333 1.00 44.13 H new ATOM 287 N GLU A 19 5.079 13.118 1.848 1.00 42.15 N ATOM 288 CA GLU A 19 5.619 12.613 0.590 1.00 12.15 C ATOM 289 C GLU A 19 6.834 11.724 0.838 1.00 3.41 C ATOM 290 O GLU A 19 7.051 10.739 0.132 1.00 21.51 O ATOM 291 CB GLU A 19 6.001 13.775 -0.329 1.00 65.41 C ATOM 292 CG GLU A 19 6.053 13.395 -1.800 1.00 3.25 C ATOM 293 CD GLU A 19 5.345 14.401 -2.687 1.00 23.42 C ATOM 294 OE1 GLU A 19 4.156 14.683 -2.431 1.00 32.41 O ATOM 295 OE2 GLU A 19 5.980 14.905 -3.637 1.00 11.15 O ATOM 0 H GLU A 19 4.941 14.128 1.873 1.00 42.15 H new ATOM 0 HA GLU A 19 4.847 12.016 0.106 1.00 12.15 H new ATOM 0 HB2 GLU A 19 5.282 14.584 -0.196 1.00 65.41 H new ATOM 0 HB3 GLU A 19 6.975 14.161 -0.027 1.00 65.41 H new ATOM 0 HG2 GLU A 19 7.094 13.309 -2.113 1.00 3.25 H new ATOM 0 HG3 GLU A 19 5.598 12.414 -1.934 1.00 3.25 H new ATOM 302 N LEU A 20 7.625 12.080 1.845 1.00 54.32 N ATOM 303 CA LEU A 20 8.819 11.316 2.187 1.00 44.24 C ATOM 304 C LEU A 20 8.448 9.977 2.815 1.00 0.14 C ATOM 305 O LEU A 20 8.722 8.918 2.251 1.00 23.11 O ATOM 306 CB LEU A 20 9.703 12.116 3.146 1.00 32.40 C ATOM 307 CG LEU A 20 11.204 12.089 2.856 1.00 11.11 C ATOM 308 CD1 LEU A 20 11.521 12.896 1.607 1.00 54.23 C ATOM 309 CD2 LEU A 20 11.987 12.619 4.048 1.00 12.35 C ATOM 0 H LEU A 20 7.460 12.893 2.439 1.00 54.32 H new ATOM 0 HA LEU A 20 9.373 11.123 1.268 1.00 44.24 H new ATOM 0 HB2 LEU A 20 9.370 13.154 3.135 1.00 32.40 H new ATOM 0 HB3 LEU A 20 9.542 11.740 4.156 1.00 32.40 H new ATOM 0 HG LEU A 20 11.502 11.055 2.681 1.00 11.11 H new ATOM 0 HD11 LEU A 20 12.594 12.865 1.417 1.00 54.23 H new ATOM 0 HD12 LEU A 20 10.989 12.472 0.755 1.00 54.23 H new ATOM 0 HD13 LEU A 20 11.208 13.930 1.753 1.00 54.23 H new ATOM 0 HD21 LEU A 20 13.053 12.592 3.824 1.00 12.35 H new ATOM 0 HD22 LEU A 20 11.685 13.646 4.254 1.00 12.35 H new ATOM 0 HD23 LEU A 20 11.784 11.999 4.921 1.00 12.35 H new ATOM 321 N ARG A 21 7.821 10.032 3.986 1.00 51.52 N ATOM 322 CA ARG A 21 7.411 8.824 4.691 1.00 53.03 C ATOM 323 C ARG A 21 6.608 7.906 3.774 1.00 62.42 C ATOM 324 O ARG A 21 6.633 6.685 3.927 1.00 33.00 O ATOM 325 CB ARG A 21 6.580 9.184 5.924 1.00 53.44 C ATOM 326 CG ARG A 21 5.975 7.979 6.624 1.00 23.43 C ATOM 327 CD ARG A 21 5.567 8.310 8.051 1.00 53.30 C ATOM 328 NE ARG A 21 6.718 8.387 8.946 1.00 20.43 N ATOM 329 CZ ARG A 21 6.629 8.709 10.232 1.00 42.32 C ATOM 330 NH1 ARG A 21 5.449 8.984 10.770 1.00 71.42 N ATOM 331 NH2 ARG A 21 7.723 8.757 10.982 1.00 14.41 N ATOM 0 H ARG A 21 7.586 10.901 4.466 1.00 51.52 H new ATOM 0 HA ARG A 21 8.310 8.296 5.009 1.00 53.03 H new ATOM 0 HB2 ARG A 21 7.209 9.726 6.630 1.00 53.44 H new ATOM 0 HB3 ARG A 21 5.779 9.861 5.627 1.00 53.44 H new ATOM 0 HG2 ARG A 21 5.105 7.632 6.067 1.00 23.43 H new ATOM 0 HG3 ARG A 21 6.696 7.161 6.631 1.00 23.43 H new ATOM 0 HD2 ARG A 21 5.034 9.260 8.064 1.00 53.30 H new ATOM 0 HD3 ARG A 21 4.875 7.551 8.415 1.00 53.30 H new ATOM 0 HE ARG A 21 7.641 8.182 8.563 1.00 20.43 H new ATOM 0 HH11 ARG A 21 4.606 8.949 10.196 1.00 71.42 H new ATOM 0 HH12 ARG A 21 5.384 9.231 11.758 1.00 71.42 H new ATOM 0 HH21 ARG A 21 8.633 8.547 10.571 1.00 14.41 H new ATOM 0 HH22 ARG A 21 7.654 9.004 11.969 1.00 14.41 H new ATOM 345 N GLU A 22 5.898 8.502 2.822 1.00 53.34 N ATOM 346 CA GLU A 22 5.087 7.737 1.882 1.00 40.25 C ATOM 347 C GLU A 22 5.962 7.080 0.818 1.00 20.32 C ATOM 348 O GLU A 22 5.685 5.966 0.373 1.00 40.52 O ATOM 349 CB GLU A 22 4.049 8.642 1.215 1.00 13.21 C ATOM 350 CG GLU A 22 3.206 7.933 0.168 1.00 1.40 C ATOM 351 CD GLU A 22 1.839 8.566 -0.007 1.00 1.02 C ATOM 352 OE1 GLU A 22 1.779 9.737 -0.438 1.00 73.42 O ATOM 353 OE2 GLU A 22 0.830 7.892 0.288 1.00 65.53 O ATOM 0 H GLU A 22 5.868 9.512 2.681 1.00 53.34 H new ATOM 0 HA GLU A 22 4.572 6.955 2.439 1.00 40.25 H new ATOM 0 HB2 GLU A 22 3.392 9.053 1.981 1.00 13.21 H new ATOM 0 HB3 GLU A 22 4.560 9.484 0.748 1.00 13.21 H new ATOM 0 HG2 GLU A 22 3.733 7.945 -0.786 1.00 1.40 H new ATOM 0 HG3 GLU A 22 3.085 6.888 0.452 1.00 1.40 H new ATOM 360 N ALA A 23 7.019 7.778 0.416 1.00 61.52 N ATOM 361 CA ALA A 23 7.936 7.262 -0.594 1.00 34.05 C ATOM 362 C ALA A 23 8.794 6.134 -0.031 1.00 32.01 C ATOM 363 O ALA A 23 9.290 5.286 -0.774 1.00 54.42 O ATOM 364 CB ALA A 23 8.816 8.382 -1.128 1.00 24.32 C ATOM 0 H ALA A 23 7.262 8.702 0.774 1.00 61.52 H new ATOM 0 HA ALA A 23 7.344 6.857 -1.415 1.00 34.05 H new ATOM 0 HB1 ALA A 23 9.496 7.983 -1.881 1.00 24.32 H new ATOM 0 HB2 ALA A 23 8.190 9.154 -1.576 1.00 24.32 H new ATOM 0 HB3 ALA A 23 9.393 8.813 -0.310 1.00 24.32 H new ATOM 370 N THR A 24 8.967 6.129 1.287 1.00 12.03 N ATOM 371 CA THR A 24 9.767 5.106 1.949 1.00 13.43 C ATOM 372 C THR A 24 9.025 3.775 1.999 1.00 4.33 C ATOM 373 O THR A 24 9.634 2.722 2.182 1.00 62.40 O ATOM 374 CB THR A 24 10.141 5.527 3.383 1.00 30.21 C ATOM 375 OG1 THR A 24 9.291 6.594 3.818 1.00 20.14 O ATOM 376 CG2 THR A 24 11.595 5.968 3.456 1.00 50.14 C ATOM 0 H THR A 24 8.564 6.822 1.917 1.00 12.03 H new ATOM 0 HA THR A 24 10.679 4.989 1.363 1.00 13.43 H new ATOM 0 HB THR A 24 10.006 4.666 4.037 1.00 30.21 H new ATOM 0 HG1 THR A 24 8.389 6.248 3.981 1.00 20.14 H new ATOM 0 HG21 THR A 24 11.836 6.261 4.478 1.00 50.14 H new ATOM 0 HG22 THR A 24 12.241 5.144 3.153 1.00 50.14 H new ATOM 0 HG23 THR A 24 11.752 6.816 2.789 1.00 50.14 H new ATOM 384 N ALA A 25 7.708 3.831 1.835 1.00 33.42 N ATOM 385 CA ALA A 25 6.884 2.628 1.859 1.00 51.40 C ATOM 386 C ALA A 25 6.728 2.042 0.460 1.00 53.21 C ATOM 387 O ALA A 25 5.890 1.169 0.232 1.00 1.42 O ATOM 388 CB ALA A 25 5.520 2.935 2.460 1.00 22.01 C ATOM 0 H ALA A 25 7.188 4.696 1.684 1.00 33.42 H new ATOM 0 HA ALA A 25 7.385 1.886 2.481 1.00 51.40 H new ATOM 0 HB1 ALA A 25 4.915 2.028 2.472 1.00 22.01 H new ATOM 0 HB2 ALA A 25 5.645 3.301 3.479 1.00 22.01 H new ATOM 0 HB3 ALA A 25 5.021 3.696 1.860 1.00 22.01 H new ATOM 394 N SER A 26 7.539 2.528 -0.474 1.00 51.12 N ATOM 395 CA SER A 26 7.487 2.055 -1.853 1.00 4.14 C ATOM 396 C SER A 26 7.889 0.586 -1.938 1.00 61.32 C ATOM 397 O SER A 26 8.704 0.107 -1.150 1.00 74.14 O ATOM 398 CB SER A 26 8.406 2.899 -2.738 1.00 50.04 C ATOM 399 OG SER A 26 8.629 2.269 -3.988 1.00 41.10 O ATOM 0 H SER A 26 8.240 3.249 -0.301 1.00 51.12 H new ATOM 0 HA SER A 26 6.461 2.154 -2.208 1.00 4.14 H new ATOM 0 HB2 SER A 26 7.962 3.882 -2.896 1.00 50.04 H new ATOM 0 HB3 SER A 26 9.358 3.058 -2.232 1.00 50.04 H new ATOM 0 HG SER A 26 9.218 2.829 -4.536 1.00 41.10 H new ATOM 405 N ASN A 27 7.310 -0.124 -2.901 1.00 65.33 N ATOM 406 CA ASN A 27 7.607 -1.540 -3.091 1.00 12.33 C ATOM 407 C ASN A 27 8.695 -1.732 -4.143 1.00 0.44 C ATOM 408 O ASN A 27 8.658 -2.684 -4.922 1.00 3.02 O ATOM 409 CB ASN A 27 6.343 -2.296 -3.505 1.00 12.25 C ATOM 410 CG ASN A 27 5.950 -2.022 -4.944 1.00 2.15 C ATOM 411 OD1 ASN A 27 6.228 -2.822 -5.837 1.00 41.54 O ATOM 412 ND2 ASN A 27 5.301 -0.887 -5.174 1.00 13.35 N ATOM 0 H ASN A 27 6.633 0.257 -3.562 1.00 65.33 H new ATOM 0 HA ASN A 27 7.968 -1.940 -2.144 1.00 12.33 H new ATOM 0 HB2 ASN A 27 6.503 -3.366 -3.373 1.00 12.25 H new ATOM 0 HB3 ASN A 27 5.522 -2.013 -2.847 1.00 12.25 H new ATOM 0 HD21 ASN A 27 5.011 -0.648 -6.122 1.00 13.35 H new ATOM 0 HD22 ASN A 27 5.092 -0.254 -4.402 1.00 13.35 H new ATOM 419 N ARG A 28 9.663 -0.821 -4.158 1.00 54.41 N ATOM 420 CA ARG A 28 10.761 -0.889 -5.114 1.00 61.02 C ATOM 421 C ARG A 28 12.079 -0.490 -4.457 1.00 42.45 C ATOM 422 O ARG A 28 12.158 -0.347 -3.237 1.00 15.11 O ATOM 423 CB ARG A 28 10.480 0.020 -6.312 1.00 71.22 C ATOM 424 CG ARG A 28 10.730 -0.647 -7.655 1.00 24.22 C ATOM 425 CD ARG A 28 9.654 -1.672 -7.977 1.00 51.22 C ATOM 426 NE ARG A 28 10.180 -2.793 -8.751 1.00 72.12 N ATOM 427 CZ ARG A 28 9.414 -3.725 -9.309 1.00 2.53 C ATOM 428 NH1 ARG A 28 8.096 -3.669 -9.179 1.00 11.30 N ATOM 429 NH2 ARG A 28 9.967 -4.714 -9.998 1.00 61.23 N ATOM 0 H ARG A 28 9.709 -0.027 -3.519 1.00 54.41 H new ATOM 0 HA ARG A 28 10.845 -1.919 -5.460 1.00 61.02 H new ATOM 0 HB2 ARG A 28 9.443 0.353 -6.269 1.00 71.22 H new ATOM 0 HB3 ARG A 28 11.104 0.910 -6.236 1.00 71.22 H new ATOM 0 HG2 ARG A 28 10.759 0.110 -8.439 1.00 24.22 H new ATOM 0 HG3 ARG A 28 11.706 -1.133 -7.645 1.00 24.22 H new ATOM 0 HD2 ARG A 28 9.219 -2.044 -7.050 1.00 51.22 H new ATOM 0 HD3 ARG A 28 8.851 -1.191 -8.535 1.00 51.22 H new ATOM 0 HE ARG A 28 11.190 -2.865 -8.870 1.00 72.12 H new ATOM 0 HH11 ARG A 28 7.668 -2.910 -8.650 1.00 11.30 H new ATOM 0 HH12 ARG A 28 7.510 -4.385 -9.608 1.00 11.30 H new ATOM 0 HH21 ARG A 28 10.981 -4.760 -10.100 1.00 61.23 H new ATOM 0 HH22 ARG A 28 9.378 -5.429 -10.426 1.00 61.23 H new ATOM 443 N ILE A 29 13.111 -0.312 -5.275 1.00 5.41 N ATOM 444 CA ILE A 29 14.425 0.072 -4.773 1.00 63.43 C ATOM 445 C ILE A 29 14.740 1.525 -5.109 1.00 55.45 C ATOM 446 O ILE A 29 15.042 1.857 -6.256 1.00 35.11 O ATOM 447 CB ILE A 29 15.533 -0.828 -5.352 1.00 22.33 C ATOM 448 CG1 ILE A 29 15.141 -2.302 -5.225 1.00 44.01 C ATOM 449 CG2 ILE A 29 16.854 -0.563 -4.645 1.00 30.13 C ATOM 450 CD1 ILE A 29 14.976 -2.762 -3.794 1.00 22.53 C ATOM 0 H ILE A 29 13.063 -0.427 -6.287 1.00 5.41 H new ATOM 0 HA ILE A 29 14.396 -0.050 -3.690 1.00 63.43 H new ATOM 0 HB ILE A 29 15.656 -0.594 -6.409 1.00 22.33 H new ATOM 0 HG12 ILE A 29 14.207 -2.469 -5.762 1.00 44.01 H new ATOM 0 HG13 ILE A 29 15.901 -2.915 -5.710 1.00 44.01 H new ATOM 0 HG21 ILE A 29 17.627 -1.206 -5.065 1.00 30.13 H new ATOM 0 HG22 ILE A 29 17.137 0.481 -4.782 1.00 30.13 H new ATOM 0 HG23 ILE A 29 16.746 -0.773 -3.581 1.00 30.13 H new ATOM 0 HD11 ILE A 29 14.698 -3.816 -3.780 1.00 22.53 H new ATOM 0 HD12 ILE A 29 15.916 -2.628 -3.258 1.00 22.53 H new ATOM 0 HD13 ILE A 29 14.195 -2.175 -3.311 1.00 22.53 H new ATOM 462 N SER A 30 14.668 2.389 -4.102 1.00 30.04 N ATOM 463 CA SER A 30 14.943 3.809 -4.290 1.00 71.52 C ATOM 464 C SER A 30 16.184 4.230 -3.509 1.00 52.11 C ATOM 465 O SER A 30 16.544 3.607 -2.510 1.00 41.22 O ATOM 466 CB SER A 30 13.740 4.646 -3.850 1.00 24.52 C ATOM 467 OG SER A 30 12.539 4.148 -4.412 1.00 71.35 O ATOM 0 H SER A 30 14.421 2.131 -3.147 1.00 30.04 H new ATOM 0 HA SER A 30 15.127 3.981 -5.350 1.00 71.52 H new ATOM 0 HB2 SER A 30 13.666 4.639 -2.763 1.00 24.52 H new ATOM 0 HB3 SER A 30 13.884 5.683 -4.153 1.00 24.52 H new ATOM 0 HG SER A 30 11.785 4.699 -4.114 1.00 71.35 H new ATOM 473 N VAL A 31 16.834 5.293 -3.972 1.00 62.22 N ATOM 474 CA VAL A 31 18.034 5.800 -3.318 1.00 24.22 C ATOM 475 C VAL A 31 17.776 7.155 -2.668 1.00 73.35 C ATOM 476 O VAL A 31 17.868 8.195 -3.321 1.00 71.33 O ATOM 477 CB VAL A 31 19.202 5.934 -4.313 1.00 41.41 C ATOM 478 CG1 VAL A 31 20.492 6.271 -3.581 1.00 0.43 C ATOM 479 CG2 VAL A 31 19.359 4.658 -5.126 1.00 13.02 C ATOM 0 H VAL A 31 16.549 5.820 -4.798 1.00 62.22 H new ATOM 0 HA VAL A 31 18.304 5.077 -2.548 1.00 24.22 H new ATOM 0 HB VAL A 31 18.978 6.750 -5.000 1.00 41.41 H new ATOM 0 HG11 VAL A 31 21.306 6.362 -4.301 1.00 0.43 H new ATOM 0 HG12 VAL A 31 20.372 7.214 -3.048 1.00 0.43 H new ATOM 0 HG13 VAL A 31 20.724 5.479 -2.869 1.00 0.43 H new ATOM 0 HG21 VAL A 31 20.189 4.771 -5.824 1.00 13.02 H new ATOM 0 HG22 VAL A 31 19.559 3.822 -4.456 1.00 13.02 H new ATOM 0 HG23 VAL A 31 18.441 4.465 -5.682 1.00 13.02 H new ATOM 489 N ILE A 32 17.452 7.135 -1.380 1.00 21.11 N ATOM 490 CA ILE A 32 17.182 8.362 -0.642 1.00 14.32 C ATOM 491 C ILE A 32 18.473 9.108 -0.323 1.00 20.23 C ATOM 492 O ILE A 32 19.301 8.633 0.455 1.00 71.21 O ATOM 493 CB ILE A 32 16.430 8.075 0.671 1.00 13.53 C ATOM 494 CG1 ILE A 32 15.130 7.320 0.386 1.00 51.52 C ATOM 495 CG2 ILE A 32 16.143 9.373 1.412 1.00 42.21 C ATOM 496 CD1 ILE A 32 14.933 6.104 1.263 1.00 14.00 C ATOM 0 H ILE A 32 17.370 6.283 -0.826 1.00 21.11 H new ATOM 0 HA ILE A 32 16.555 8.983 -1.282 1.00 14.32 H new ATOM 0 HB ILE A 32 17.060 7.450 1.303 1.00 13.53 H new ATOM 0 HG12 ILE A 32 14.288 7.998 0.524 1.00 51.52 H new ATOM 0 HG13 ILE A 32 15.121 7.010 -0.659 1.00 51.52 H new ATOM 0 HG21 ILE A 32 15.611 9.154 2.338 1.00 42.21 H new ATOM 0 HG22 ILE A 32 17.082 9.875 1.643 1.00 42.21 H new ATOM 0 HG23 ILE A 32 15.530 10.021 0.786 1.00 42.21 H new ATOM 0 HD11 ILE A 32 13.992 5.618 1.006 1.00 14.00 H new ATOM 0 HD12 ILE A 32 15.756 5.406 1.108 1.00 14.00 H new ATOM 0 HD13 ILE A 32 14.909 6.410 2.309 1.00 14.00 H new ATOM 508 N VAL A 33 18.638 10.280 -0.927 1.00 41.13 N ATOM 509 CA VAL A 33 19.827 11.094 -0.706 1.00 25.24 C ATOM 510 C VAL A 33 19.457 12.476 -0.180 1.00 44.22 C ATOM 511 O VAL A 33 18.768 13.244 -0.853 1.00 24.25 O ATOM 512 CB VAL A 33 20.649 11.251 -1.999 1.00 51.10 C ATOM 513 CG1 VAL A 33 21.978 11.932 -1.708 1.00 73.23 C ATOM 514 CG2 VAL A 33 20.867 9.898 -2.659 1.00 53.12 C ATOM 0 H VAL A 33 17.963 10.687 -1.574 1.00 41.13 H new ATOM 0 HA VAL A 33 20.431 10.575 0.038 1.00 25.24 H new ATOM 0 HB VAL A 33 20.089 11.881 -2.690 1.00 51.10 H new ATOM 0 HG11 VAL A 33 22.545 12.034 -2.633 1.00 73.23 H new ATOM 0 HG12 VAL A 33 21.796 12.919 -1.283 1.00 73.23 H new ATOM 0 HG13 VAL A 33 22.547 11.331 -0.998 1.00 73.23 H new ATOM 0 HG21 VAL A 33 21.450 10.028 -3.571 1.00 53.12 H new ATOM 0 HG22 VAL A 33 21.405 9.242 -1.975 1.00 53.12 H new ATOM 0 HG23 VAL A 33 19.903 9.453 -2.905 1.00 53.12 H new ATOM 524 N PHE A 34 19.920 12.788 1.026 1.00 40.11 N ATOM 525 CA PHE A 34 19.637 14.079 1.643 1.00 64.12 C ATOM 526 C PHE A 34 20.751 15.079 1.346 1.00 20.01 C ATOM 527 O PHE A 34 21.893 14.899 1.770 1.00 22.20 O ATOM 528 CB PHE A 34 19.470 13.919 3.155 1.00 14.33 C ATOM 529 CG PHE A 34 19.100 12.525 3.574 1.00 72.15 C ATOM 530 CD1 PHE A 34 20.076 11.624 3.969 1.00 54.21 C ATOM 531 CD2 PHE A 34 17.776 12.115 3.571 1.00 63.33 C ATOM 532 CE1 PHE A 34 19.739 10.340 4.355 1.00 53.42 C ATOM 533 CE2 PHE A 34 17.433 10.832 3.956 1.00 44.41 C ATOM 534 CZ PHE A 34 18.416 9.944 4.347 1.00 32.22 C ATOM 0 H PHE A 34 20.493 12.165 1.595 1.00 40.11 H new ATOM 0 HA PHE A 34 18.708 14.460 1.220 1.00 64.12 H new ATOM 0 HB2 PHE A 34 20.400 14.203 3.647 1.00 14.33 H new ATOM 0 HB3 PHE A 34 18.702 14.610 3.503 1.00 14.33 H new ATOM 0 HD1 PHE A 34 21.112 11.928 3.975 1.00 54.21 H new ATOM 0 HD2 PHE A 34 17.004 12.805 3.265 1.00 63.33 H new ATOM 0 HE1 PHE A 34 20.509 9.648 4.662 1.00 53.42 H new ATOM 0 HE2 PHE A 34 16.398 10.525 3.951 1.00 44.41 H new ATOM 0 HZ PHE A 34 18.150 8.941 4.646 1.00 32.22 H new ATOM 544 N THR A 35 20.410 16.135 0.614 1.00 64.14 N ATOM 545 CA THR A 35 21.380 17.163 0.258 1.00 50.21 C ATOM 546 C THR A 35 20.691 18.492 -0.030 1.00 2.30 C ATOM 547 O THR A 35 19.585 18.526 -0.571 1.00 23.34 O ATOM 548 CB THR A 35 22.210 16.751 -0.972 1.00 41.15 C ATOM 549 OG1 THR A 35 23.285 17.676 -1.171 1.00 11.34 O ATOM 550 CG2 THR A 35 21.341 16.701 -2.220 1.00 13.32 C ATOM 0 H THR A 35 19.469 16.301 0.256 1.00 64.14 H new ATOM 0 HA THR A 35 22.046 17.279 1.113 1.00 50.21 H new ATOM 0 HB THR A 35 22.616 15.756 -0.791 1.00 41.15 H new ATOM 0 HG1 THR A 35 23.808 17.406 -1.954 1.00 11.34 H new ATOM 0 HG21 THR A 35 21.949 16.408 -3.076 1.00 13.32 H new ATOM 0 HG22 THR A 35 20.541 15.974 -2.078 1.00 13.32 H new ATOM 0 HG23 THR A 35 20.909 17.685 -2.402 1.00 13.32 H new ATOM 558 N HIS A 36 21.352 19.587 0.334 1.00 71.02 N ATOM 559 CA HIS A 36 20.803 20.920 0.113 1.00 52.11 C ATOM 560 C HIS A 36 20.718 21.233 -1.378 1.00 71.51 C ATOM 561 O HIS A 36 21.535 20.779 -2.180 1.00 4.45 O ATOM 562 CB HIS A 36 21.661 21.971 0.818 1.00 14.20 C ATOM 563 CG HIS A 36 22.026 21.602 2.223 1.00 53.01 C ATOM 564 ND1 HIS A 36 21.395 20.812 3.123 1.00 61.21 N flip ATOM 565 CD2 HIS A 36 23.163 22.064 2.851 1.00 63.41 C flip ATOM 566 CE1 HIS A 36 22.156 20.809 4.266 1.00 75.02 C flip ATOM 567 NE2 HIS A 36 23.218 21.572 4.076 1.00 1.21 N flip ATOM 0 H HIS A 36 22.268 19.577 0.783 1.00 71.02 H new ATOM 0 HA HIS A 36 19.796 20.945 0.529 1.00 52.11 H new ATOM 0 HB2 HIS A 36 22.574 22.128 0.243 1.00 14.20 H new ATOM 0 HB3 HIS A 36 21.124 22.919 0.828 1.00 14.20 H new ATOM 0 HD2 HIS A 36 23.895 22.725 2.410 1.00 63.41 H new ATOM 0 HE1 HIS A 36 21.924 20.270 5.173 1.00 75.02 H new ATOM 0 HE2 HIS A 36 23.955 21.751 4.759 1.00 1.21 H new ATOM 575 N PRO A 37 19.705 22.025 -1.761 1.00 23.44 N ATOM 576 CA PRO A 37 19.490 22.415 -3.157 1.00 75.21 C ATOM 577 C PRO A 37 20.561 23.375 -3.663 1.00 32.21 C ATOM 578 O PRO A 37 20.813 23.461 -4.865 1.00 22.12 O ATOM 579 CB PRO A 37 18.124 23.106 -3.125 1.00 61.13 C ATOM 580 CG PRO A 37 17.983 23.602 -1.728 1.00 20.14 C ATOM 581 CD PRO A 37 18.693 22.601 -0.859 1.00 64.32 C ATOM 0 HA PRO A 37 19.535 21.559 -3.831 1.00 75.21 H new ATOM 0 HB2 PRO A 37 18.078 23.925 -3.842 1.00 61.13 H new ATOM 0 HB3 PRO A 37 17.323 22.412 -3.381 1.00 61.13 H new ATOM 0 HG2 PRO A 37 18.422 24.594 -1.620 1.00 20.14 H new ATOM 0 HG3 PRO A 37 16.933 23.686 -1.448 1.00 20.14 H new ATOM 0 HD2 PRO A 37 19.151 23.075 0.009 1.00 64.32 H new ATOM 0 HD3 PRO A 37 18.010 21.840 -0.482 1.00 64.32 H new ATOM 589 N ASP A 38 21.188 24.094 -2.739 1.00 0.02 N ATOM 590 CA ASP A 38 22.234 25.047 -3.091 1.00 51.23 C ATOM 591 C ASP A 38 23.554 24.677 -2.423 1.00 64.33 C ATOM 592 O ASP A 38 23.901 25.214 -1.372 1.00 25.25 O ATOM 593 CB ASP A 38 21.822 26.463 -2.684 1.00 73.24 C ATOM 594 CG ASP A 38 22.943 27.467 -2.865 1.00 23.33 C ATOM 595 OD1 ASP A 38 23.149 27.928 -4.007 1.00 63.11 O ATOM 596 OD2 ASP A 38 23.615 27.792 -1.863 1.00 75.14 O ATOM 0 H ASP A 38 20.990 24.035 -1.740 1.00 0.02 H new ATOM 0 HA ASP A 38 22.372 25.013 -4.172 1.00 51.23 H new ATOM 0 HB2 ASP A 38 20.962 26.773 -3.277 1.00 73.24 H new ATOM 0 HB3 ASP A 38 21.505 26.460 -1.641 1.00 73.24 H new ATOM 601 N SER A 39 24.286 23.755 -3.041 1.00 20.20 N ATOM 602 CA SER A 39 25.566 23.309 -2.504 1.00 21.43 C ATOM 603 C SER A 39 26.447 22.731 -3.607 1.00 72.24 C ATOM 604 O SER A 39 26.359 21.546 -3.932 1.00 43.41 O ATOM 605 CB SER A 39 25.347 22.262 -1.410 1.00 21.32 C ATOM 606 OG SER A 39 26.579 21.855 -0.839 1.00 12.32 O ATOM 0 H SER A 39 24.014 23.303 -3.914 1.00 20.20 H new ATOM 0 HA SER A 39 26.072 24.173 -2.074 1.00 21.43 H new ATOM 0 HB2 SER A 39 24.701 22.672 -0.634 1.00 21.32 H new ATOM 0 HB3 SER A 39 24.833 21.397 -1.828 1.00 21.32 H new ATOM 0 HG SER A 39 26.417 21.466 0.046 1.00 12.32 H new ATOM 612 N LYS A 40 27.296 23.576 -4.181 1.00 41.23 N ATOM 613 CA LYS A 40 28.195 23.152 -5.248 1.00 41.21 C ATOM 614 C LYS A 40 29.137 22.055 -4.762 1.00 52.11 C ATOM 615 O LYS A 40 29.272 21.012 -5.402 1.00 45.20 O ATOM 616 CB LYS A 40 29.006 24.344 -5.764 1.00 33.54 C ATOM 617 CG LYS A 40 29.549 24.147 -7.168 1.00 41.33 C ATOM 618 CD LYS A 40 30.829 24.936 -7.386 1.00 41.54 C ATOM 619 CE LYS A 40 30.843 25.610 -8.750 1.00 63.32 C ATOM 620 NZ LYS A 40 31.348 24.698 -9.814 1.00 23.33 N ATOM 0 H LYS A 40 27.381 24.560 -3.925 1.00 41.23 H new ATOM 0 HA LYS A 40 27.590 22.753 -6.062 1.00 41.21 H new ATOM 0 HB2 LYS A 40 28.378 25.235 -5.748 1.00 33.54 H new ATOM 0 HB3 LYS A 40 29.838 24.529 -5.084 1.00 33.54 H new ATOM 0 HG2 LYS A 40 29.740 23.088 -7.340 1.00 41.33 H new ATOM 0 HG3 LYS A 40 28.800 24.459 -7.896 1.00 41.33 H new ATOM 0 HD2 LYS A 40 30.930 25.690 -6.605 1.00 41.54 H new ATOM 0 HD3 LYS A 40 31.687 24.270 -7.299 1.00 41.54 H new ATOM 0 HE2 LYS A 40 29.835 25.940 -9.003 1.00 63.32 H new ATOM 0 HE3 LYS A 40 31.469 26.501 -8.708 1.00 63.32 H new ATOM 0 HZ1 LYS A 40 31.342 25.194 -10.728 1.00 23.33 H new ATOM 0 HZ2 LYS A 40 32.319 24.403 -9.586 1.00 23.33 H new ATOM 0 HZ3 LYS A 40 30.736 23.859 -9.871 1.00 23.33 H new ATOM 634 N ARG A 41 29.784 22.297 -3.627 1.00 11.13 N ATOM 635 CA ARG A 41 30.712 21.329 -3.055 1.00 44.14 C ATOM 636 C ARG A 41 30.031 19.980 -2.845 1.00 14.41 C ATOM 637 O ARG A 41 30.686 18.939 -2.825 1.00 70.41 O ATOM 638 CB ARG A 41 31.267 21.845 -1.726 1.00 53.43 C ATOM 639 CG ARG A 41 32.226 23.015 -1.879 1.00 74.33 C ATOM 640 CD ARG A 41 31.833 24.178 -0.983 1.00 14.42 C ATOM 641 NE ARG A 41 32.863 25.213 -0.946 1.00 54.10 N ATOM 642 CZ ARG A 41 32.813 26.272 -0.145 1.00 74.22 C ATOM 643 NH1 ARG A 41 31.788 26.434 0.681 1.00 5.21 N ATOM 644 NH2 ARG A 41 33.789 27.170 -0.170 1.00 14.45 N ATOM 0 H ARG A 41 29.683 23.155 -3.085 1.00 11.13 H new ATOM 0 HA ARG A 41 31.535 21.195 -3.757 1.00 44.14 H new ATOM 0 HB2 ARG A 41 30.437 22.148 -1.088 1.00 53.43 H new ATOM 0 HB3 ARG A 41 31.780 21.030 -1.215 1.00 53.43 H new ATOM 0 HG2 ARG A 41 33.238 22.692 -1.635 1.00 74.33 H new ATOM 0 HG3 ARG A 41 32.238 23.343 -2.918 1.00 74.33 H new ATOM 0 HD2 ARG A 41 30.898 24.610 -1.339 1.00 14.42 H new ATOM 0 HD3 ARG A 41 31.651 23.812 0.027 1.00 14.42 H new ATOM 0 HE ARG A 41 33.665 25.118 -1.569 1.00 54.10 H new ATOM 0 HH11 ARG A 41 31.036 25.745 0.702 1.00 5.21 H new ATOM 0 HH12 ARG A 41 31.752 27.248 1.295 1.00 5.21 H new ATOM 0 HH21 ARG A 41 34.578 27.048 -0.804 1.00 14.45 H new ATOM 0 HH22 ARG A 41 33.750 27.983 0.445 1.00 14.45 H new ATOM 658 N SER A 42 28.711 20.008 -2.687 1.00 40.35 N ATOM 659 CA SER A 42 27.941 18.789 -2.474 1.00 73.20 C ATOM 660 C SER A 42 26.745 18.729 -3.420 1.00 20.12 C ATOM 661 O SER A 42 25.606 18.961 -3.015 1.00 74.30 O ATOM 662 CB SER A 42 27.462 18.710 -1.023 1.00 40.10 C ATOM 663 OG SER A 42 28.329 17.905 -0.243 1.00 72.31 O ATOM 0 H SER A 42 28.153 20.862 -2.703 1.00 40.35 H new ATOM 0 HA SER A 42 28.590 17.938 -2.682 1.00 73.20 H new ATOM 0 HB2 SER A 42 27.411 19.713 -0.598 1.00 40.10 H new ATOM 0 HB3 SER A 42 26.453 18.299 -0.992 1.00 40.10 H new ATOM 0 HG SER A 42 28.002 17.872 0.680 1.00 72.31 H new ATOM 669 N LYS A 43 27.013 18.416 -4.683 1.00 41.10 N ATOM 670 CA LYS A 43 25.961 18.324 -5.689 1.00 24.34 C ATOM 671 C LYS A 43 26.538 17.927 -7.044 1.00 32.00 C ATOM 672 O LYS A 43 25.898 17.212 -7.815 1.00 1.51 O ATOM 673 CB LYS A 43 25.223 19.659 -5.808 1.00 34.32 C ATOM 674 CG LYS A 43 24.275 19.726 -6.993 1.00 35.55 C ATOM 675 CD LYS A 43 23.094 20.640 -6.711 1.00 32.50 C ATOM 676 CE LYS A 43 22.213 20.807 -7.940 1.00 32.44 C ATOM 677 NZ LYS A 43 20.987 19.964 -7.862 1.00 1.31 N ATOM 0 H LYS A 43 27.950 18.222 -5.035 1.00 41.10 H new ATOM 0 HA LYS A 43 25.257 17.554 -5.374 1.00 24.34 H new ATOM 0 HB2 LYS A 43 24.659 19.836 -4.892 1.00 34.32 H new ATOM 0 HB3 LYS A 43 25.954 20.463 -5.893 1.00 34.32 H new ATOM 0 HG2 LYS A 43 24.813 20.085 -7.871 1.00 35.55 H new ATOM 0 HG3 LYS A 43 23.914 18.725 -7.228 1.00 35.55 H new ATOM 0 HD2 LYS A 43 22.503 20.231 -5.891 1.00 32.50 H new ATOM 0 HD3 LYS A 43 23.457 21.615 -6.387 1.00 32.50 H new ATOM 0 HE2 LYS A 43 21.928 21.854 -8.043 1.00 32.44 H new ATOM 0 HE3 LYS A 43 22.780 20.542 -8.832 1.00 32.44 H new ATOM 0 HZ1 LYS A 43 20.413 20.106 -8.718 1.00 1.31 H new ATOM 0 HZ2 LYS A 43 21.258 18.963 -7.789 1.00 1.31 H new ATOM 0 HZ3 LYS A 43 20.433 20.234 -7.025 1.00 1.31 H new ATOM 691 N GLU A 44 27.750 18.394 -7.326 1.00 50.23 N ATOM 692 CA GLU A 44 28.412 18.087 -8.589 1.00 34.52 C ATOM 693 C GLU A 44 28.562 16.579 -8.771 1.00 24.13 C ATOM 694 O GLU A 44 28.653 16.085 -9.895 1.00 73.10 O ATOM 695 CB GLU A 44 29.785 18.758 -8.647 1.00 41.34 C ATOM 696 CG GLU A 44 29.719 20.276 -8.686 1.00 23.22 C ATOM 697 CD GLU A 44 29.291 20.807 -10.040 1.00 43.01 C ATOM 698 OE1 GLU A 44 28.414 21.695 -10.078 1.00 41.20 O ATOM 699 OE2 GLU A 44 29.833 20.335 -11.061 1.00 51.04 O ATOM 0 H GLU A 44 28.293 18.986 -6.698 1.00 50.23 H new ATOM 0 HA GLU A 44 27.793 18.474 -9.398 1.00 34.52 H new ATOM 0 HB2 GLU A 44 30.368 18.450 -7.779 1.00 41.34 H new ATOM 0 HB3 GLU A 44 30.317 18.403 -9.530 1.00 41.34 H new ATOM 0 HG2 GLU A 44 29.020 20.625 -7.926 1.00 23.22 H new ATOM 0 HG3 GLU A 44 30.697 20.685 -8.432 1.00 23.22 H new ATOM 706 N ILE A 45 28.589 15.854 -7.657 1.00 44.42 N ATOM 707 CA ILE A 45 28.729 14.404 -7.693 1.00 73.14 C ATOM 708 C ILE A 45 27.401 13.732 -8.025 1.00 55.22 C ATOM 709 O ILE A 45 27.355 12.544 -8.344 1.00 64.13 O ATOM 710 CB ILE A 45 29.248 13.855 -6.352 1.00 32.45 C ATOM 711 CG1 ILE A 45 28.284 14.218 -5.220 1.00 4.12 C ATOM 712 CG2 ILE A 45 30.641 14.393 -6.062 1.00 51.21 C ATOM 713 CD1 ILE A 45 27.173 13.211 -5.026 1.00 34.11 C ATOM 0 H ILE A 45 28.516 16.248 -6.719 1.00 44.42 H new ATOM 0 HA ILE A 45 29.454 14.176 -8.474 1.00 73.14 H new ATOM 0 HB ILE A 45 29.307 12.769 -6.420 1.00 32.45 H new ATOM 0 HG12 ILE A 45 28.846 14.310 -4.291 1.00 4.12 H new ATOM 0 HG13 ILE A 45 27.846 15.195 -5.426 1.00 4.12 H new ATOM 0 HG21 ILE A 45 30.994 13.995 -5.110 1.00 51.21 H new ATOM 0 HG22 ILE A 45 31.322 14.088 -6.857 1.00 51.21 H new ATOM 0 HG23 ILE A 45 30.607 15.481 -6.010 1.00 51.21 H new ATOM 0 HD11 ILE A 45 26.529 13.533 -4.208 1.00 34.11 H new ATOM 0 HD12 ILE A 45 26.586 13.136 -5.942 1.00 34.11 H new ATOM 0 HD13 ILE A 45 27.602 12.237 -4.789 1.00 34.11 H new ATOM 725 N LYS A 46 26.320 14.501 -7.950 1.00 13.33 N ATOM 726 CA LYS A 46 24.989 13.983 -8.245 1.00 2.22 C ATOM 727 C LYS A 46 24.942 13.369 -9.640 1.00 55.44 C ATOM 728 O LYS A 46 24.457 12.253 -9.820 1.00 70.33 O ATOM 729 CB LYS A 46 23.948 15.099 -8.131 1.00 0.00 C ATOM 730 CG LYS A 46 23.760 15.614 -6.714 1.00 65.34 C ATOM 731 CD LYS A 46 23.073 14.584 -5.833 1.00 42.03 C ATOM 732 CE LYS A 46 23.482 14.736 -4.376 1.00 71.41 C ATOM 733 NZ LYS A 46 24.306 13.587 -3.909 1.00 23.11 N ATOM 0 H LYS A 46 26.340 15.486 -7.687 1.00 13.33 H new ATOM 0 HA LYS A 46 24.759 13.205 -7.517 1.00 2.22 H new ATOM 0 HB2 LYS A 46 24.245 15.928 -8.773 1.00 0.00 H new ATOM 0 HB3 LYS A 46 22.992 14.732 -8.505 1.00 0.00 H new ATOM 0 HG2 LYS A 46 24.730 15.870 -6.287 1.00 65.34 H new ATOM 0 HG3 LYS A 46 23.169 16.529 -6.734 1.00 65.34 H new ATOM 0 HD2 LYS A 46 21.992 14.691 -5.922 1.00 42.03 H new ATOM 0 HD3 LYS A 46 23.324 13.582 -6.180 1.00 42.03 H new ATOM 0 HE2 LYS A 46 24.045 15.661 -4.251 1.00 71.41 H new ATOM 0 HE3 LYS A 46 22.590 14.819 -3.755 1.00 71.41 H new ATOM 0 HZ1 LYS A 46 25.111 13.940 -3.354 1.00 23.11 H new ATOM 0 HZ2 LYS A 46 23.725 12.961 -3.316 1.00 23.11 H new ATOM 0 HZ3 LYS A 46 24.659 13.056 -4.731 1.00 23.11 H new ATOM 747 N GLU A 47 25.449 14.106 -10.624 1.00 13.32 N ATOM 748 CA GLU A 47 25.464 13.633 -12.003 1.00 33.52 C ATOM 749 C GLU A 47 26.073 12.236 -12.092 1.00 15.13 C ATOM 750 O GLU A 47 25.641 11.408 -12.894 1.00 30.31 O ATOM 751 CB GLU A 47 26.249 14.601 -12.890 1.00 24.25 C ATOM 752 CG GLU A 47 26.189 14.257 -14.368 1.00 54.55 C ATOM 753 CD GLU A 47 25.155 15.078 -15.116 1.00 22.13 C ATOM 754 OE1 GLU A 47 23.951 14.925 -14.821 1.00 2.55 O ATOM 755 OE2 GLU A 47 25.550 15.871 -15.995 1.00 53.53 O ATOM 0 H GLU A 47 25.854 15.032 -10.491 1.00 13.32 H new ATOM 0 HA GLU A 47 24.433 13.585 -12.355 1.00 33.52 H new ATOM 0 HB2 GLU A 47 25.862 15.609 -12.744 1.00 24.25 H new ATOM 0 HB3 GLU A 47 27.291 14.610 -12.570 1.00 24.25 H new ATOM 0 HG2 GLU A 47 27.170 14.420 -14.815 1.00 54.55 H new ATOM 0 HG3 GLU A 47 25.958 13.198 -14.482 1.00 54.55 H new ATOM 762 N LYS A 48 27.079 11.982 -11.262 1.00 72.10 N ATOM 763 CA LYS A 48 27.748 10.687 -11.245 1.00 22.34 C ATOM 764 C LYS A 48 26.748 9.560 -11.007 1.00 13.35 C ATOM 765 O LYS A 48 26.904 8.456 -11.530 1.00 1.31 O ATOM 766 CB LYS A 48 28.828 10.662 -10.160 1.00 14.10 C ATOM 767 CG LYS A 48 29.989 9.737 -10.479 1.00 20.53 C ATOM 768 CD LYS A 48 31.006 10.410 -11.384 1.00 45.03 C ATOM 769 CE LYS A 48 32.362 9.724 -11.306 1.00 50.44 C ATOM 770 NZ LYS A 48 33.415 10.495 -12.023 1.00 44.13 N ATOM 0 H LYS A 48 27.449 12.656 -10.592 1.00 72.10 H new ATOM 0 HA LYS A 48 28.215 10.535 -12.218 1.00 22.34 H new ATOM 0 HB2 LYS A 48 29.209 11.673 -10.015 1.00 14.10 H new ATOM 0 HB3 LYS A 48 28.377 10.353 -9.217 1.00 14.10 H new ATOM 0 HG2 LYS A 48 30.473 9.427 -9.553 1.00 20.53 H new ATOM 0 HG3 LYS A 48 29.614 8.834 -10.960 1.00 20.53 H new ATOM 0 HD2 LYS A 48 30.647 10.392 -12.413 1.00 45.03 H new ATOM 0 HD3 LYS A 48 31.110 11.457 -11.101 1.00 45.03 H new ATOM 0 HE2 LYS A 48 32.648 9.603 -10.261 1.00 50.44 H new ATOM 0 HE3 LYS A 48 32.289 8.724 -11.734 1.00 50.44 H new ATOM 0 HZ1 LYS A 48 34.324 9.995 -11.947 1.00 44.13 H new ATOM 0 HZ2 LYS A 48 33.155 10.589 -13.025 1.00 44.13 H new ATOM 0 HZ3 LYS A 48 33.503 11.440 -11.598 1.00 44.13 H new ATOM 784 N LEU A 49 25.719 9.846 -10.216 1.00 4.04 N ATOM 785 CA LEU A 49 24.692 8.857 -9.910 1.00 14.05 C ATOM 786 C LEU A 49 23.686 8.745 -11.051 1.00 44.04 C ATOM 787 O LEU A 49 23.132 7.675 -11.303 1.00 25.41 O ATOM 788 CB LEU A 49 23.969 9.228 -8.613 1.00 71.13 C ATOM 789 CG LEU A 49 23.059 8.151 -8.020 1.00 44.33 C ATOM 790 CD1 LEU A 49 23.880 6.964 -7.540 1.00 0.41 C ATOM 791 CD2 LEU A 49 22.228 8.723 -6.881 1.00 43.41 C ATOM 0 H LEU A 49 25.574 10.754 -9.775 1.00 4.04 H new ATOM 0 HA LEU A 49 25.180 7.890 -9.784 1.00 14.05 H new ATOM 0 HB2 LEU A 49 24.717 9.494 -7.867 1.00 71.13 H new ATOM 0 HB3 LEU A 49 23.371 10.120 -8.797 1.00 71.13 H new ATOM 0 HG LEU A 49 22.380 7.806 -8.800 1.00 44.33 H new ATOM 0 HD11 LEU A 49 23.216 6.208 -7.121 1.00 0.41 H new ATOM 0 HD12 LEU A 49 24.430 6.539 -8.379 1.00 0.41 H new ATOM 0 HD13 LEU A 49 24.583 7.293 -6.775 1.00 0.41 H new ATOM 0 HD21 LEU A 49 21.587 7.943 -6.471 1.00 43.41 H new ATOM 0 HD22 LEU A 49 22.890 9.096 -6.100 1.00 43.41 H new ATOM 0 HD23 LEU A 49 21.611 9.540 -7.255 1.00 43.41 H new ATOM 803 N LYS A 50 23.457 9.857 -11.742 1.00 33.14 N ATOM 804 CA LYS A 50 22.521 9.884 -12.860 1.00 3.43 C ATOM 805 C LYS A 50 23.010 8.996 -14.000 1.00 15.14 C ATOM 806 O LYS A 50 22.234 8.245 -14.592 1.00 12.35 O ATOM 807 CB LYS A 50 22.335 11.318 -13.360 1.00 41.55 C ATOM 808 CG LYS A 50 20.897 11.802 -13.299 1.00 53.30 C ATOM 809 CD LYS A 50 20.636 12.620 -12.045 1.00 23.42 C ATOM 810 CE LYS A 50 21.163 14.039 -12.185 1.00 44.44 C ATOM 811 NZ LYS A 50 21.407 14.674 -10.861 1.00 12.54 N ATOM 0 H LYS A 50 23.907 10.751 -11.547 1.00 33.14 H new ATOM 0 HA LYS A 50 21.563 9.500 -12.510 1.00 3.43 H new ATOM 0 HB2 LYS A 50 22.959 11.985 -12.766 1.00 41.55 H new ATOM 0 HB3 LYS A 50 22.688 11.384 -14.389 1.00 41.55 H new ATOM 0 HG2 LYS A 50 20.678 12.405 -14.180 1.00 53.30 H new ATOM 0 HG3 LYS A 50 20.223 10.946 -13.323 1.00 53.30 H new ATOM 0 HD2 LYS A 50 19.565 12.647 -11.843 1.00 23.42 H new ATOM 0 HD3 LYS A 50 21.109 12.138 -11.190 1.00 23.42 H new ATOM 0 HE2 LYS A 50 22.090 14.027 -12.758 1.00 44.44 H new ATOM 0 HE3 LYS A 50 20.448 14.638 -12.749 1.00 44.44 H new ATOM 0 HZ1 LYS A 50 21.315 15.706 -10.949 1.00 12.54 H new ATOM 0 HZ2 LYS A 50 20.711 14.322 -10.174 1.00 12.54 H new ATOM 0 HZ3 LYS A 50 22.366 14.438 -10.534 1.00 12.54 H new ATOM 825 N LYS A 51 24.300 9.085 -14.302 1.00 3.22 N ATOM 826 CA LYS A 51 24.894 8.288 -15.369 1.00 34.13 C ATOM 827 C LYS A 51 24.860 6.803 -15.021 1.00 74.05 C ATOM 828 O LYS A 51 24.775 5.950 -15.906 1.00 64.11 O ATOM 829 CB LYS A 51 26.337 8.730 -15.622 1.00 14.31 C ATOM 830 CG LYS A 51 26.447 10.076 -16.318 1.00 71.44 C ATOM 831 CD LYS A 51 27.897 10.486 -16.513 1.00 21.51 C ATOM 832 CE LYS A 51 28.520 9.780 -17.708 1.00 2.22 C ATOM 833 NZ LYS A 51 29.706 8.969 -17.317 1.00 3.15 N ATOM 0 H LYS A 51 24.956 9.702 -13.822 1.00 3.22 H new ATOM 0 HA LYS A 51 24.309 8.445 -16.275 1.00 34.13 H new ATOM 0 HB2 LYS A 51 26.866 8.778 -14.670 1.00 14.31 H new ATOM 0 HB3 LYS A 51 26.839 7.975 -16.227 1.00 14.31 H new ATOM 0 HG2 LYS A 51 25.948 10.028 -17.286 1.00 71.44 H new ATOM 0 HG3 LYS A 51 25.930 10.834 -15.730 1.00 71.44 H new ATOM 0 HD2 LYS A 51 27.955 11.565 -16.656 1.00 21.51 H new ATOM 0 HD3 LYS A 51 28.466 10.252 -15.613 1.00 21.51 H new ATOM 0 HE2 LYS A 51 27.777 9.134 -18.176 1.00 2.22 H new ATOM 0 HE3 LYS A 51 28.815 10.519 -18.453 1.00 2.22 H new ATOM 0 HZ1 LYS A 51 30.102 8.504 -18.159 1.00 3.15 H new ATOM 0 HZ2 LYS A 51 30.426 9.589 -16.893 1.00 3.15 H new ATOM 0 HZ3 LYS A 51 29.420 8.247 -16.625 1.00 3.15 H new ATOM 847 N LEU A 52 24.924 6.501 -13.730 1.00 20.44 N ATOM 848 CA LEU A 52 24.899 5.118 -13.265 1.00 71.12 C ATOM 849 C LEU A 52 23.614 4.421 -13.700 1.00 71.43 C ATOM 850 O LEU A 52 23.540 3.192 -13.725 1.00 43.52 O ATOM 851 CB LEU A 52 25.029 5.068 -11.742 1.00 11.31 C ATOM 852 CG LEU A 52 24.969 3.678 -11.108 1.00 41.10 C ATOM 853 CD1 LEU A 52 25.918 3.590 -9.923 1.00 1.51 C ATOM 854 CD2 LEU A 52 23.547 3.348 -10.680 1.00 74.20 C ATOM 0 H LEU A 52 24.994 7.195 -12.986 1.00 20.44 H new ATOM 0 HA LEU A 52 25.744 4.595 -13.713 1.00 71.12 H new ATOM 0 HB2 LEU A 52 25.975 5.532 -11.463 1.00 11.31 H new ATOM 0 HB3 LEU A 52 24.235 5.677 -11.310 1.00 11.31 H new ATOM 0 HG LEU A 52 25.282 2.946 -11.853 1.00 41.10 H new ATOM 0 HD11 LEU A 52 25.861 2.594 -9.485 1.00 1.51 H new ATOM 0 HD12 LEU A 52 26.937 3.782 -10.258 1.00 1.51 H new ATOM 0 HD13 LEU A 52 25.636 4.332 -9.175 1.00 1.51 H new ATOM 0 HD21 LEU A 52 23.523 2.355 -10.231 1.00 74.20 H new ATOM 0 HD22 LEU A 52 23.206 4.084 -9.952 1.00 74.20 H new ATOM 0 HD23 LEU A 52 22.891 3.368 -11.550 1.00 74.20 H new ATOM 866 N ALA A 53 22.604 5.213 -14.044 1.00 40.13 N ATOM 867 CA ALA A 53 21.324 4.672 -14.483 1.00 15.23 C ATOM 868 C ALA A 53 21.503 3.725 -15.664 1.00 42.13 C ATOM 869 O ALA A 53 20.651 2.877 -15.926 1.00 40.12 O ATOM 870 CB ALA A 53 20.371 5.801 -14.849 1.00 22.13 C ATOM 0 H ALA A 53 22.648 6.232 -14.027 1.00 40.13 H new ATOM 0 HA ALA A 53 20.896 4.103 -13.657 1.00 15.23 H new ATOM 0 HB1 ALA A 53 19.419 5.382 -15.175 1.00 22.13 H new ATOM 0 HB2 ALA A 53 20.209 6.437 -13.979 1.00 22.13 H new ATOM 0 HB3 ALA A 53 20.802 6.394 -15.656 1.00 22.13 H new ATOM 876 N GLU A 54 22.617 3.877 -16.374 1.00 71.42 N ATOM 877 CA GLU A 54 22.906 3.035 -17.529 1.00 62.32 C ATOM 878 C GLU A 54 23.383 1.653 -17.090 1.00 4.52 C ATOM 879 O GLU A 54 22.888 0.634 -17.569 1.00 24.25 O ATOM 880 CB GLU A 54 23.965 3.694 -18.416 1.00 74.32 C ATOM 881 CG GLU A 54 24.310 2.885 -19.655 1.00 72.32 C ATOM 882 CD GLU A 54 25.404 1.866 -19.401 1.00 1.22 C ATOM 883 OE1 GLU A 54 26.343 2.183 -18.641 1.00 24.00 O ATOM 884 OE2 GLU A 54 25.322 0.753 -19.961 1.00 53.41 O ATOM 0 H GLU A 54 23.333 4.574 -16.170 1.00 71.42 H new ATOM 0 HA GLU A 54 21.985 2.918 -18.100 1.00 62.32 H new ATOM 0 HB2 GLU A 54 23.609 4.678 -18.722 1.00 74.32 H new ATOM 0 HB3 GLU A 54 24.871 3.850 -17.831 1.00 74.32 H new ATOM 0 HG2 GLU A 54 23.416 2.372 -20.010 1.00 72.32 H new ATOM 0 HG3 GLU A 54 24.626 3.561 -20.449 1.00 72.32 H new ATOM 891 N GLU A 55 24.349 1.630 -16.176 1.00 15.21 N ATOM 892 CA GLU A 55 24.893 0.375 -15.673 1.00 65.41 C ATOM 893 C GLU A 55 23.804 -0.466 -15.013 1.00 1.31 C ATOM 894 O GLU A 55 23.888 -1.694 -14.977 1.00 53.52 O ATOM 895 CB GLU A 55 26.020 0.646 -14.674 1.00 31.34 C ATOM 896 CG GLU A 55 25.542 0.769 -13.237 1.00 12.24 C ATOM 897 CD GLU A 55 25.468 -0.570 -12.529 1.00 72.13 C ATOM 898 OE1 GLU A 55 25.810 -1.593 -13.159 1.00 51.34 O ATOM 899 OE2 GLU A 55 25.068 -0.596 -11.347 1.00 11.22 O ATOM 0 H GLU A 55 24.770 2.466 -15.770 1.00 15.21 H new ATOM 0 HA GLU A 55 25.294 -0.182 -16.520 1.00 65.41 H new ATOM 0 HB2 GLU A 55 26.752 -0.159 -14.737 1.00 31.34 H new ATOM 0 HB3 GLU A 55 26.533 1.565 -14.958 1.00 31.34 H new ATOM 0 HG2 GLU A 55 26.215 1.428 -12.689 1.00 12.24 H new ATOM 0 HG3 GLU A 55 24.558 1.237 -13.224 1.00 12.24 H new ATOM 906 N PHE A 56 22.783 0.205 -14.491 1.00 13.03 N ATOM 907 CA PHE A 56 21.677 -0.479 -13.830 1.00 10.41 C ATOM 908 C PHE A 56 20.508 0.475 -13.599 1.00 61.23 C ATOM 909 O PHE A 56 20.338 1.038 -12.518 1.00 35.22 O ATOM 910 CB PHE A 56 22.139 -1.069 -12.496 1.00 72.42 C ATOM 911 CG PHE A 56 21.269 -2.191 -12.004 1.00 40.31 C ATOM 912 CD1 PHE A 56 20.923 -3.237 -12.844 1.00 44.10 C ATOM 913 CD2 PHE A 56 20.797 -2.198 -10.701 1.00 73.15 C ATOM 914 CE1 PHE A 56 20.123 -4.271 -12.394 1.00 44.42 C ATOM 915 CE2 PHE A 56 19.997 -3.229 -10.246 1.00 31.20 C ATOM 916 CZ PHE A 56 19.659 -4.266 -11.094 1.00 12.03 C ATOM 0 H PHE A 56 22.698 1.221 -14.513 1.00 13.03 H new ATOM 0 HA PHE A 56 21.341 -1.287 -14.480 1.00 10.41 H new ATOM 0 HB2 PHE A 56 23.161 -1.432 -12.603 1.00 72.42 H new ATOM 0 HB3 PHE A 56 22.158 -0.279 -11.745 1.00 72.42 H new ATOM 0 HD1 PHE A 56 21.282 -3.245 -13.862 1.00 44.10 H new ATOM 0 HD2 PHE A 56 21.057 -1.389 -10.034 1.00 73.15 H new ATOM 0 HE1 PHE A 56 19.862 -5.081 -13.059 1.00 44.42 H new ATOM 0 HE2 PHE A 56 19.636 -3.224 -9.228 1.00 31.20 H new ATOM 0 HZ PHE A 56 19.033 -5.072 -10.740 1.00 12.03 H new ATOM 926 N PRO A 57 19.683 0.661 -14.640 1.00 42.43 N ATOM 927 CA PRO A 57 18.516 1.546 -14.577 1.00 0.03 C ATOM 928 C PRO A 57 17.416 0.991 -13.679 1.00 31.33 C ATOM 929 O PRO A 57 16.429 1.670 -13.398 1.00 13.54 O ATOM 930 CB PRO A 57 18.039 1.609 -16.030 1.00 2.11 C ATOM 931 CG PRO A 57 18.525 0.342 -16.643 1.00 64.45 C ATOM 932 CD PRO A 57 19.826 0.023 -15.959 1.00 70.44 C ATOM 0 HA PRO A 57 18.765 2.519 -14.154 1.00 0.03 H new ATOM 0 HB2 PRO A 57 16.953 1.686 -16.087 1.00 2.11 H new ATOM 0 HB3 PRO A 57 18.447 2.479 -16.543 1.00 2.11 H new ATOM 0 HG2 PRO A 57 17.803 -0.462 -16.502 1.00 64.45 H new ATOM 0 HG3 PRO A 57 18.667 0.458 -17.717 1.00 64.45 H new ATOM 0 HD2 PRO A 57 19.980 -1.052 -15.871 1.00 70.44 H new ATOM 0 HD3 PRO A 57 20.678 0.423 -16.509 1.00 70.44 H new ATOM 940 N ASP A 58 17.593 -0.248 -13.231 1.00 53.43 N ATOM 941 CA ASP A 58 16.615 -0.894 -12.363 1.00 42.23 C ATOM 942 C ASP A 58 16.445 -0.116 -11.062 1.00 44.42 C ATOM 943 O ASP A 58 15.443 -0.265 -10.364 1.00 13.14 O ATOM 944 CB ASP A 58 17.042 -2.331 -12.060 1.00 73.14 C ATOM 945 CG ASP A 58 16.612 -2.783 -10.679 1.00 23.53 C ATOM 946 OD1 ASP A 58 17.281 -2.403 -9.695 1.00 10.32 O ATOM 947 OD2 ASP A 58 15.607 -3.518 -10.581 1.00 10.50 O ATOM 0 H ASP A 58 18.404 -0.824 -13.455 1.00 53.43 H new ATOM 0 HA ASP A 58 15.658 -0.909 -12.884 1.00 42.23 H new ATOM 0 HB2 ASP A 58 16.614 -2.999 -12.807 1.00 73.14 H new ATOM 0 HB3 ASP A 58 18.126 -2.410 -12.144 1.00 73.14 H new ATOM 952 N VAL A 59 17.433 0.715 -10.742 1.00 73.20 N ATOM 953 CA VAL A 59 17.393 1.517 -9.525 1.00 31.30 C ATOM 954 C VAL A 59 16.794 2.893 -9.793 1.00 21.10 C ATOM 955 O VAL A 59 16.925 3.435 -10.890 1.00 42.24 O ATOM 956 CB VAL A 59 18.799 1.690 -8.920 1.00 70.55 C ATOM 957 CG1 VAL A 59 18.718 2.384 -7.570 1.00 10.42 C ATOM 958 CG2 VAL A 59 19.494 0.342 -8.795 1.00 51.13 C ATOM 0 H VAL A 59 18.270 0.850 -11.309 1.00 73.20 H new ATOM 0 HA VAL A 59 16.763 0.982 -8.814 1.00 31.30 H new ATOM 0 HB VAL A 59 19.389 2.317 -9.589 1.00 70.55 H new ATOM 0 HG11 VAL A 59 19.721 2.497 -7.158 1.00 10.42 H new ATOM 0 HG12 VAL A 59 18.263 3.367 -7.693 1.00 10.42 H new ATOM 0 HG13 VAL A 59 18.112 1.786 -6.889 1.00 10.42 H new ATOM 0 HG21 VAL A 59 20.486 0.483 -8.366 1.00 51.13 H new ATOM 0 HG22 VAL A 59 18.908 -0.311 -8.148 1.00 51.13 H new ATOM 0 HG23 VAL A 59 19.586 -0.113 -9.781 1.00 51.13 H new ATOM 968 N ASP A 60 16.137 3.453 -8.783 1.00 62.22 N ATOM 969 CA ASP A 60 15.519 4.768 -8.909 1.00 31.53 C ATOM 970 C ASP A 60 16.250 5.796 -8.051 1.00 61.14 C ATOM 971 O ASP A 60 16.861 5.453 -7.039 1.00 35.54 O ATOM 972 CB ASP A 60 14.045 4.703 -8.504 1.00 25.55 C ATOM 973 CG ASP A 60 13.408 6.075 -8.416 1.00 0.32 C ATOM 974 OD1 ASP A 60 13.599 6.754 -7.384 1.00 72.45 O ATOM 975 OD2 ASP A 60 12.719 6.472 -9.379 1.00 22.33 O ATOM 0 H ASP A 60 16.019 3.017 -7.868 1.00 62.22 H new ATOM 0 HA ASP A 60 15.588 5.077 -9.952 1.00 31.53 H new ATOM 0 HB2 ASP A 60 13.499 4.098 -9.228 1.00 25.55 H new ATOM 0 HB3 ASP A 60 13.958 4.203 -7.540 1.00 25.55 H new ATOM 980 N ILE A 61 16.185 7.057 -8.465 1.00 14.04 N ATOM 981 CA ILE A 61 16.840 8.135 -7.734 1.00 63.34 C ATOM 982 C ILE A 61 15.836 8.925 -6.902 1.00 25.23 C ATOM 983 O ILE A 61 14.720 9.193 -7.346 1.00 40.11 O ATOM 984 CB ILE A 61 17.570 9.098 -8.688 1.00 42.55 C ATOM 985 CG1 ILE A 61 18.672 8.359 -9.451 1.00 0.34 C ATOM 986 CG2 ILE A 61 18.151 10.272 -7.914 1.00 15.22 C ATOM 987 CD1 ILE A 61 18.391 8.216 -10.930 1.00 23.50 C ATOM 0 H ILE A 61 15.686 7.357 -9.302 1.00 14.04 H new ATOM 0 HA ILE A 61 17.570 7.669 -7.071 1.00 63.34 H new ATOM 0 HB ILE A 61 16.850 9.484 -9.410 1.00 42.55 H new ATOM 0 HG12 ILE A 61 19.614 8.891 -9.318 1.00 0.34 H new ATOM 0 HG13 ILE A 61 18.802 7.368 -9.017 1.00 0.34 H new ATOM 0 HG21 ILE A 61 18.664 10.944 -8.602 1.00 15.22 H new ATOM 0 HG22 ILE A 61 17.347 10.811 -7.413 1.00 15.22 H new ATOM 0 HG23 ILE A 61 18.859 9.904 -7.172 1.00 15.22 H new ATOM 0 HD11 ILE A 61 19.214 7.683 -11.407 1.00 23.50 H new ATOM 0 HD12 ILE A 61 17.466 7.658 -11.072 1.00 23.50 H new ATOM 0 HD13 ILE A 61 18.291 9.204 -11.379 1.00 23.50 H new ATOM 999 N TYR A 62 16.242 9.296 -5.692 1.00 52.25 N ATOM 1000 CA TYR A 62 15.378 10.056 -4.797 1.00 32.45 C ATOM 1001 C TYR A 62 16.134 11.223 -4.170 1.00 24.34 C ATOM 1002 O TYR A 62 17.093 11.027 -3.421 1.00 72.41 O ATOM 1003 CB TYR A 62 14.820 9.147 -3.700 1.00 22.32 C ATOM 1004 CG TYR A 62 13.692 9.772 -2.911 1.00 22.14 C ATOM 1005 CD1 TYR A 62 13.771 9.898 -1.529 1.00 63.40 C ATOM 1006 CD2 TYR A 62 12.547 10.236 -3.546 1.00 21.00 C ATOM 1007 CE1 TYR A 62 12.743 10.468 -0.804 1.00 31.54 C ATOM 1008 CE2 TYR A 62 11.515 10.809 -2.829 1.00 34.51 C ATOM 1009 CZ TYR A 62 11.617 10.922 -1.458 1.00 60.11 C ATOM 1010 OH TYR A 62 10.590 11.490 -0.740 1.00 10.30 O ATOM 0 H TYR A 62 17.163 9.083 -5.309 1.00 52.25 H new ATOM 0 HA TYR A 62 14.551 10.456 -5.384 1.00 32.45 H new ATOM 0 HB2 TYR A 62 14.466 8.221 -4.153 1.00 22.32 H new ATOM 0 HB3 TYR A 62 15.626 8.880 -3.016 1.00 22.32 H new ATOM 0 HD1 TYR A 62 14.651 9.544 -1.013 1.00 63.40 H new ATOM 0 HD2 TYR A 62 12.462 10.147 -4.619 1.00 21.00 H new ATOM 0 HE1 TYR A 62 12.821 10.558 0.269 1.00 31.54 H new ATOM 0 HE2 TYR A 62 10.633 11.167 -3.339 1.00 34.51 H new ATOM 0 HH TYR A 62 9.748 11.041 -0.963 1.00 10.30 H new ATOM 1020 N LEU A 63 15.697 12.438 -4.480 1.00 35.20 N ATOM 1021 CA LEU A 63 16.331 13.639 -3.947 1.00 74.23 C ATOM 1022 C LEU A 63 15.538 14.197 -2.770 1.00 33.43 C ATOM 1023 O LEU A 63 14.307 14.223 -2.793 1.00 21.31 O ATOM 1024 CB LEU A 63 16.456 14.701 -5.041 1.00 64.21 C ATOM 1025 CG LEU A 63 17.809 14.778 -5.749 1.00 43.03 C ATOM 1026 CD1 LEU A 63 18.020 13.558 -6.633 1.00 12.13 C ATOM 1027 CD2 LEU A 63 17.910 16.056 -6.569 1.00 41.10 C ATOM 0 H LEU A 63 14.906 12.618 -5.098 1.00 35.20 H new ATOM 0 HA LEU A 63 17.327 13.369 -3.595 1.00 74.23 H new ATOM 0 HB2 LEU A 63 15.686 14.515 -5.790 1.00 64.21 H new ATOM 0 HB3 LEU A 63 16.243 15.675 -4.600 1.00 64.21 H new ATOM 0 HG LEU A 63 18.593 14.792 -4.992 1.00 43.03 H new ATOM 0 HD11 LEU A 63 18.988 13.631 -7.129 1.00 12.13 H new ATOM 0 HD12 LEU A 63 17.992 12.656 -6.021 1.00 12.13 H new ATOM 0 HD13 LEU A 63 17.231 13.512 -7.383 1.00 12.13 H new ATOM 0 HD21 LEU A 63 18.879 16.094 -7.066 1.00 41.10 H new ATOM 0 HD22 LEU A 63 17.118 16.072 -7.318 1.00 41.10 H new ATOM 0 HD23 LEU A 63 17.805 16.919 -5.912 1.00 41.10 H new ATOM 1039 N VAL A 64 16.251 14.644 -1.741 1.00 43.24 N ATOM 1040 CA VAL A 64 15.615 15.205 -0.556 1.00 13.14 C ATOM 1041 C VAL A 64 16.461 16.322 0.046 1.00 33.52 C ATOM 1042 O VAL A 64 17.685 16.214 0.122 1.00 12.55 O ATOM 1043 CB VAL A 64 15.373 14.125 0.515 1.00 13.05 C ATOM 1044 CG1 VAL A 64 14.544 14.685 1.661 1.00 13.22 C ATOM 1045 CG2 VAL A 64 14.696 12.909 -0.098 1.00 72.24 C ATOM 0 H VAL A 64 17.270 14.628 -1.705 1.00 43.24 H new ATOM 0 HA VAL A 64 14.655 15.612 -0.875 1.00 13.14 H new ATOM 0 HB VAL A 64 16.338 13.813 0.915 1.00 13.05 H new ATOM 0 HG11 VAL A 64 14.383 13.907 2.408 1.00 13.22 H new ATOM 0 HG12 VAL A 64 15.072 15.522 2.117 1.00 13.22 H new ATOM 0 HG13 VAL A 64 13.582 15.027 1.281 1.00 13.22 H new ATOM 0 HG21 VAL A 64 14.533 12.156 0.673 1.00 72.24 H new ATOM 0 HG22 VAL A 64 13.738 13.203 -0.526 1.00 72.24 H new ATOM 0 HG23 VAL A 64 15.331 12.495 -0.881 1.00 72.24 H new ATOM 1055 N ASP A 65 15.800 17.392 0.473 1.00 42.22 N ATOM 1056 CA ASP A 65 16.491 18.529 1.070 1.00 1.11 C ATOM 1057 C ASP A 65 16.398 18.483 2.592 1.00 11.30 C ATOM 1058 O ASP A 65 15.721 17.624 3.158 1.00 1.33 O ATOM 1059 CB ASP A 65 15.903 19.842 0.550 1.00 74.50 C ATOM 1060 CG ASP A 65 14.389 19.809 0.479 1.00 15.10 C ATOM 1061 OD1 ASP A 65 13.741 20.482 1.308 1.00 32.25 O ATOM 1062 OD2 ASP A 65 13.851 19.112 -0.406 1.00 63.35 O ATOM 0 H ASP A 65 14.787 17.496 0.417 1.00 42.22 H new ATOM 0 HA ASP A 65 17.542 18.474 0.786 1.00 1.11 H new ATOM 0 HB2 ASP A 65 16.216 20.660 1.200 1.00 74.50 H new ATOM 0 HB3 ASP A 65 16.306 20.050 -0.441 1.00 74.50 H new ATOM 1067 N THR A 66 17.083 19.413 3.250 1.00 4.12 N ATOM 1068 CA THR A 66 17.080 19.478 4.706 1.00 20.32 C ATOM 1069 C THR A 66 15.873 20.255 5.219 1.00 5.33 C ATOM 1070 O THR A 66 15.505 20.147 6.389 1.00 75.34 O ATOM 1071 CB THR A 66 18.366 20.135 5.242 1.00 31.23 C ATOM 1072 OG1 THR A 66 18.795 21.170 4.351 1.00 0.42 O ATOM 1073 CG2 THR A 66 19.474 19.105 5.402 1.00 31.11 C ATOM 0 H THR A 66 17.647 20.132 2.797 1.00 4.12 H new ATOM 0 HA THR A 66 17.028 18.451 5.068 1.00 20.32 H new ATOM 0 HB THR A 66 18.148 20.565 6.220 1.00 31.23 H new ATOM 0 HG1 THR A 66 19.636 20.905 3.923 1.00 0.42 H new ATOM 0 HG21 THR A 66 20.372 19.593 5.782 1.00 31.11 H new ATOM 0 HG22 THR A 66 19.155 18.334 6.104 1.00 31.11 H new ATOM 0 HG23 THR A 66 19.690 18.649 4.436 1.00 31.11 H new ATOM 1081 N SER A 67 15.262 21.039 4.337 1.00 11.43 N ATOM 1082 CA SER A 67 14.098 21.838 4.703 1.00 52.15 C ATOM 1083 C SER A 67 12.820 21.010 4.610 1.00 30.31 C ATOM 1084 O SER A 67 11.799 21.351 5.209 1.00 43.13 O ATOM 1085 CB SER A 67 13.990 23.066 3.796 1.00 62.54 C ATOM 1086 OG SER A 67 13.931 24.259 4.557 1.00 22.15 O ATOM 0 H SER A 67 15.553 21.138 3.364 1.00 11.43 H new ATOM 0 HA SER A 67 14.224 22.167 5.735 1.00 52.15 H new ATOM 0 HB2 SER A 67 14.847 23.102 3.124 1.00 62.54 H new ATOM 0 HB3 SER A 67 13.100 22.984 3.173 1.00 62.54 H new ATOM 0 HG SER A 67 13.864 25.029 3.954 1.00 22.15 H new ATOM 1092 N THR A 68 12.883 19.918 3.855 1.00 65.53 N ATOM 1093 CA THR A 68 11.733 19.040 3.682 1.00 72.04 C ATOM 1094 C THR A 68 11.580 18.093 4.867 1.00 43.25 C ATOM 1095 O THR A 68 10.503 17.548 5.103 1.00 61.05 O ATOM 1096 CB THR A 68 11.848 18.211 2.388 1.00 11.23 C ATOM 1097 OG1 THR A 68 13.220 17.889 2.133 1.00 14.03 O ATOM 1098 CG2 THR A 68 11.272 18.973 1.204 1.00 1.33 C ATOM 0 H THR A 68 13.720 19.620 3.353 1.00 65.53 H new ATOM 0 HA THR A 68 10.854 19.681 3.617 1.00 72.04 H new ATOM 0 HB THR A 68 11.278 17.291 2.520 1.00 11.23 H new ATOM 0 HG1 THR A 68 13.482 17.119 2.680 1.00 14.03 H new ATOM 0 HG21 THR A 68 11.364 18.368 0.302 1.00 1.33 H new ATOM 0 HG22 THR A 68 10.220 19.191 1.389 1.00 1.33 H new ATOM 0 HG23 THR A 68 11.818 19.907 1.072 1.00 1.33 H new ATOM 1106 N ASN A 69 12.666 17.903 5.609 1.00 33.35 N ATOM 1107 CA ASN A 69 12.652 17.021 6.771 1.00 12.01 C ATOM 1108 C ASN A 69 13.796 17.357 7.723 1.00 51.12 C ATOM 1109 O ASN A 69 14.735 16.581 7.903 1.00 14.12 O ATOM 1110 CB ASN A 69 12.753 15.560 6.329 1.00 24.34 C ATOM 1111 CG ASN A 69 14.036 15.272 5.573 1.00 1.12 C ATOM 1112 OD1 ASN A 69 14.739 16.190 5.150 1.00 25.33 O ATOM 1113 ND2 ASN A 69 14.346 13.993 5.399 1.00 30.43 N ATOM 0 H ASN A 69 13.566 18.347 5.427 1.00 33.35 H new ATOM 0 HA ASN A 69 11.710 17.170 7.298 1.00 12.01 H new ATOM 0 HB2 ASN A 69 12.698 14.914 7.205 1.00 24.34 H new ATOM 0 HB3 ASN A 69 11.899 15.314 5.697 1.00 24.34 H new ATOM 0 HD21 ASN A 69 15.197 13.738 4.897 1.00 30.43 H new ATOM 0 HD22 ASN A 69 13.733 13.265 5.767 1.00 30.43 H new ATOM 1120 N PRO A 70 13.717 18.541 8.348 1.00 44.44 N ATOM 1121 CA PRO A 70 14.737 19.007 9.292 1.00 11.13 C ATOM 1122 C PRO A 70 14.730 18.210 10.592 1.00 13.34 C ATOM 1123 O PRO A 70 15.745 18.122 11.282 1.00 61.02 O ATOM 1124 CB PRO A 70 14.339 20.462 9.555 1.00 63.14 C ATOM 1125 CG PRO A 70 12.875 20.510 9.282 1.00 65.51 C ATOM 1126 CD PRO A 70 12.627 19.517 8.180 1.00 31.33 C ATOM 0 HA PRO A 70 15.745 18.892 8.893 1.00 11.13 H new ATOM 0 HB2 PRO A 70 14.560 20.753 10.582 1.00 63.14 H new ATOM 0 HB3 PRO A 70 14.885 21.146 8.905 1.00 63.14 H new ATOM 0 HG2 PRO A 70 12.303 20.254 10.174 1.00 65.51 H new ATOM 0 HG3 PRO A 70 12.567 21.511 8.982 1.00 65.51 H new ATOM 0 HD2 PRO A 70 11.648 19.047 8.276 1.00 31.33 H new ATOM 0 HD3 PRO A 70 12.659 19.990 7.198 1.00 31.33 H new ATOM 1134 N GLU A 71 13.579 17.632 10.920 1.00 34.23 N ATOM 1135 CA GLU A 71 13.441 16.842 12.139 1.00 50.53 C ATOM 1136 C GLU A 71 13.894 15.403 11.909 1.00 55.44 C ATOM 1137 O GLU A 71 14.492 14.782 12.786 1.00 34.13 O ATOM 1138 CB GLU A 71 11.990 16.861 12.624 1.00 72.04 C ATOM 1139 CG GLU A 71 11.575 18.181 13.252 1.00 31.41 C ATOM 1140 CD GLU A 71 10.113 18.506 13.014 1.00 21.03 C ATOM 1141 OE1 GLU A 71 9.659 18.382 11.857 1.00 1.44 O ATOM 1142 OE2 GLU A 71 9.423 18.884 13.984 1.00 4.11 O ATOM 0 H GLU A 71 12.729 17.695 10.360 1.00 34.23 H new ATOM 0 HA GLU A 71 14.078 17.287 12.904 1.00 50.53 H new ATOM 0 HB2 GLU A 71 11.332 16.646 11.782 1.00 72.04 H new ATOM 0 HB3 GLU A 71 11.849 16.062 13.352 1.00 72.04 H new ATOM 0 HG2 GLU A 71 11.765 18.144 14.325 1.00 31.41 H new ATOM 0 HG3 GLU A 71 12.192 18.982 12.846 1.00 31.41 H new ATOM 1149 N ALA A 72 13.603 14.880 10.722 1.00 53.40 N ATOM 1150 CA ALA A 72 13.980 13.516 10.375 1.00 24.02 C ATOM 1151 C ALA A 72 15.459 13.268 10.653 1.00 42.32 C ATOM 1152 O ALA A 72 15.843 12.190 11.106 1.00 2.14 O ATOM 1153 CB ALA A 72 13.661 13.235 8.914 1.00 4.12 C ATOM 0 H ALA A 72 13.107 15.381 9.985 1.00 53.40 H new ATOM 0 HA ALA A 72 13.401 12.835 10.999 1.00 24.02 H new ATOM 0 HB1 ALA A 72 13.948 12.212 8.669 1.00 4.12 H new ATOM 0 HB2 ALA A 72 12.592 13.362 8.744 1.00 4.12 H new ATOM 0 HB3 ALA A 72 14.214 13.929 8.281 1.00 4.12 H new ATOM 1159 N ARG A 73 16.285 14.273 10.377 1.00 34.30 N ATOM 1160 CA ARG A 73 17.722 14.163 10.596 1.00 72.55 C ATOM 1161 C ARG A 73 18.021 13.681 12.012 1.00 21.31 C ATOM 1162 O ARG A 73 18.574 12.598 12.206 1.00 54.55 O ATOM 1163 CB ARG A 73 18.401 15.511 10.350 1.00 64.23 C ATOM 1164 CG ARG A 73 19.190 15.568 9.052 1.00 70.24 C ATOM 1165 CD ARG A 73 20.593 16.110 9.275 1.00 11.23 C ATOM 1166 NE ARG A 73 20.589 17.314 10.101 1.00 12.54 N ATOM 1167 CZ ARG A 73 20.135 18.491 9.683 1.00 30.25 C ATOM 1168 NH1 ARG A 73 19.651 18.620 8.456 1.00 13.20 N ATOM 1169 NH2 ARG A 73 20.165 19.541 10.494 1.00 34.12 N ATOM 0 H ARG A 73 15.983 15.172 10.001 1.00 34.30 H new ATOM 0 HA ARG A 73 18.117 13.431 9.891 1.00 72.55 H new ATOM 0 HB2 ARG A 73 17.642 16.294 10.339 1.00 64.23 H new ATOM 0 HB3 ARG A 73 19.071 15.728 11.182 1.00 64.23 H new ATOM 0 HG2 ARG A 73 19.249 14.570 8.617 1.00 70.24 H new ATOM 0 HG3 ARG A 73 18.665 16.198 8.334 1.00 70.24 H new ATOM 0 HD2 ARG A 73 21.206 15.345 9.752 1.00 11.23 H new ATOM 0 HD3 ARG A 73 21.053 16.332 8.312 1.00 11.23 H new ATOM 0 HE ARG A 73 20.955 17.248 11.051 1.00 12.54 H new ATOM 0 HH11 ARG A 73 19.626 17.815 7.830 1.00 13.20 H new ATOM 0 HH12 ARG A 73 19.303 19.524 8.137 1.00 13.20 H new ATOM 0 HH21 ARG A 73 20.537 19.445 11.439 1.00 34.12 H new ATOM 0 HH22 ARG A 73 19.816 20.444 10.172 1.00 34.12 H new ATOM 1183 N GLU A 74 17.652 14.493 12.998 1.00 24.41 N ATOM 1184 CA GLU A 74 17.883 14.149 14.396 1.00 21.13 C ATOM 1185 C GLU A 74 17.197 12.834 14.754 1.00 73.33 C ATOM 1186 O GLU A 74 17.654 12.102 15.631 1.00 33.54 O ATOM 1187 CB GLU A 74 17.375 15.267 15.310 1.00 63.53 C ATOM 1188 CG GLU A 74 18.071 15.312 16.660 1.00 54.30 C ATOM 1189 CD GLU A 74 19.508 15.785 16.560 1.00 21.51 C ATOM 1190 OE1 GLU A 74 20.419 14.935 16.654 1.00 72.14 O ATOM 1191 OE2 GLU A 74 19.723 17.003 16.389 1.00 74.40 O ATOM 0 H GLU A 74 17.193 15.392 12.855 1.00 24.41 H new ATOM 0 HA GLU A 74 18.957 14.030 14.541 1.00 21.13 H new ATOM 0 HB2 GLU A 74 17.511 16.225 14.808 1.00 63.53 H new ATOM 0 HB3 GLU A 74 16.304 15.138 15.467 1.00 63.53 H new ATOM 0 HG2 GLU A 74 17.520 15.975 17.327 1.00 54.30 H new ATOM 0 HG3 GLU A 74 18.050 14.319 17.109 1.00 54.30 H new ATOM 1198 N TRP A 75 16.097 12.542 14.068 1.00 65.11 N ATOM 1199 CA TRP A 75 15.347 11.315 14.313 1.00 41.40 C ATOM 1200 C TRP A 75 16.263 10.098 14.264 1.00 23.30 C ATOM 1201 O TRP A 75 16.051 9.120 14.982 1.00 73.05 O ATOM 1202 CB TRP A 75 14.224 11.166 13.285 1.00 44.10 C ATOM 1203 CG TRP A 75 13.060 10.368 13.789 1.00 62.24 C ATOM 1204 CD1 TRP A 75 12.323 10.613 14.912 1.00 53.14 C ATOM 1205 CD2 TRP A 75 12.502 9.194 13.188 1.00 54.42 C ATOM 1206 NE1 TRP A 75 11.339 9.663 15.045 1.00 22.21 N ATOM 1207 CE2 TRP A 75 11.427 8.782 14.000 1.00 62.30 C ATOM 1208 CE3 TRP A 75 12.803 8.453 12.042 1.00 0.40 C ATOM 1209 CZ2 TRP A 75 10.657 7.661 13.702 1.00 55.25 C ATOM 1210 CZ3 TRP A 75 12.037 7.341 11.747 1.00 4.44 C ATOM 1211 CH2 TRP A 75 10.974 6.954 12.574 1.00 50.33 C ATOM 0 H TRP A 75 15.705 13.138 13.339 1.00 65.11 H new ATOM 0 HA TRP A 75 14.911 11.378 15.310 1.00 41.40 H new ATOM 0 HB2 TRP A 75 13.876 12.156 12.991 1.00 44.10 H new ATOM 0 HB3 TRP A 75 14.622 10.689 12.389 1.00 44.10 H new ATOM 0 HD1 TRP A 75 12.489 11.433 15.595 1.00 53.14 H new ATOM 0 HE1 TRP A 75 10.654 9.621 15.800 1.00 22.21 H new ATOM 0 HE3 TRP A 75 13.620 8.744 11.398 1.00 0.40 H new ATOM 0 HZ2 TRP A 75 9.838 7.360 14.339 1.00 55.25 H new ATOM 0 HZ3 TRP A 75 12.261 6.761 10.864 1.00 4.44 H new ATOM 0 HH2 TRP A 75 10.393 6.081 12.316 1.00 50.33 H new ATOM 1222 N TYR A 76 17.282 10.163 13.414 1.00 2.33 N ATOM 1223 CA TYR A 76 18.230 9.064 13.271 1.00 54.32 C ATOM 1224 C TYR A 76 19.665 9.560 13.418 1.00 60.23 C ATOM 1225 O TYR A 76 20.616 8.832 13.137 1.00 23.15 O ATOM 1226 CB TYR A 76 18.050 8.382 11.913 1.00 1.45 C ATOM 1227 CG TYR A 76 18.790 7.069 11.793 1.00 50.31 C ATOM 1228 CD1 TYR A 76 18.729 6.120 12.805 1.00 31.35 C ATOM 1229 CD2 TYR A 76 19.551 6.779 10.667 1.00 32.43 C ATOM 1230 CE1 TYR A 76 19.404 4.919 12.700 1.00 32.21 C ATOM 1231 CE2 TYR A 76 20.228 5.580 10.553 1.00 73.12 C ATOM 1232 CZ TYR A 76 20.151 4.653 11.572 1.00 43.42 C ATOM 1233 OH TYR A 76 20.825 3.459 11.462 1.00 23.31 O ATOM 0 H TYR A 76 17.473 10.965 12.814 1.00 2.33 H new ATOM 0 HA TYR A 76 18.032 8.341 14.062 1.00 54.32 H new ATOM 0 HB2 TYR A 76 16.988 8.208 11.741 1.00 1.45 H new ATOM 0 HB3 TYR A 76 18.394 9.056 11.129 1.00 1.45 H new ATOM 0 HD1 TYR A 76 18.144 6.324 13.689 1.00 31.35 H new ATOM 0 HD2 TYR A 76 19.614 7.503 9.868 1.00 32.43 H new ATOM 0 HE1 TYR A 76 19.347 4.193 13.497 1.00 32.21 H new ATOM 0 HE2 TYR A 76 20.814 5.369 9.671 1.00 73.12 H new ATOM 0 HH TYR A 76 21.301 3.430 10.606 1.00 23.31 H new ATOM 1243 N ASN A 77 19.812 10.804 13.860 1.00 1.42 N ATOM 1244 CA ASN A 77 21.131 11.399 14.045 1.00 12.12 C ATOM 1245 C ASN A 77 21.982 11.235 12.790 1.00 43.31 C ATOM 1246 O ASN A 77 22.695 10.243 12.637 1.00 43.14 O ATOM 1247 CB ASN A 77 21.838 10.760 15.242 1.00 62.21 C ATOM 1248 CG ASN A 77 23.313 11.108 15.295 1.00 63.41 C ATOM 1249 OD1 ASN A 77 23.683 12.258 15.531 1.00 21.25 O ATOM 1250 ND2 ASN A 77 24.164 10.112 15.074 1.00 10.11 N ATOM 0 H ASN A 77 19.034 11.420 14.097 1.00 1.42 H new ATOM 0 HA ASN A 77 20.999 12.464 14.236 1.00 12.12 H new ATOM 0 HB2 ASN A 77 21.357 11.089 16.163 1.00 62.21 H new ATOM 0 HB3 ASN A 77 21.724 9.677 15.192 1.00 62.21 H new ATOM 0 HD21 ASN A 77 25.169 10.285 15.096 1.00 10.11 H new ATOM 0 HD22 ASN A 77 23.812 9.174 14.882 1.00 10.11 H new ATOM 1257 N ILE A 78 21.903 12.215 11.896 1.00 71.12 N ATOM 1258 CA ILE A 78 22.667 12.180 10.655 1.00 3.13 C ATOM 1259 C ILE A 78 23.869 13.117 10.723 1.00 33.24 C ATOM 1260 O ILE A 78 23.717 14.334 10.837 1.00 35.42 O ATOM 1261 CB ILE A 78 21.796 12.568 9.446 1.00 0.10 C ATOM 1262 CG1 ILE A 78 20.968 11.369 8.980 1.00 21.45 C ATOM 1263 CG2 ILE A 78 22.666 13.090 8.312 1.00 12.33 C ATOM 1264 CD1 ILE A 78 21.803 10.239 8.419 1.00 4.14 C ATOM 0 H ILE A 78 21.318 13.043 12.008 1.00 71.12 H new ATOM 0 HA ILE A 78 23.015 11.155 10.528 1.00 3.13 H new ATOM 0 HB ILE A 78 21.113 13.362 9.749 1.00 0.10 H new ATOM 0 HG12 ILE A 78 20.382 10.995 9.819 1.00 21.45 H new ATOM 0 HG13 ILE A 78 20.261 11.700 8.219 1.00 21.45 H new ATOM 0 HG21 ILE A 78 22.036 13.360 7.465 1.00 12.33 H new ATOM 0 HG22 ILE A 78 23.216 13.968 8.650 1.00 12.33 H new ATOM 0 HG23 ILE A 78 23.371 12.316 8.008 1.00 12.33 H new ATOM 0 HD11 ILE A 78 21.150 9.423 8.109 1.00 4.14 H new ATOM 0 HD12 ILE A 78 22.370 10.597 7.559 1.00 4.14 H new ATOM 0 HD13 ILE A 78 22.492 9.881 9.184 1.00 4.14 H new ATOM 1276 N THR A 79 25.065 12.542 10.651 1.00 24.12 N ATOM 1277 CA THR A 79 26.294 13.325 10.704 1.00 73.41 C ATOM 1278 C THR A 79 26.796 13.654 9.303 1.00 62.01 C ATOM 1279 O THR A 79 27.326 14.739 9.062 1.00 21.33 O ATOM 1280 CB THR A 79 27.402 12.580 11.473 1.00 54.15 C ATOM 1281 OG1 THR A 79 27.471 11.218 11.035 1.00 10.33 O ATOM 1282 CG2 THR A 79 27.144 12.624 12.971 1.00 1.41 C ATOM 0 H THR A 79 25.209 11.537 10.556 1.00 24.12 H new ATOM 0 HA THR A 79 26.057 14.250 11.229 1.00 73.41 H new ATOM 0 HB THR A 79 28.351 13.075 11.269 1.00 54.15 H new ATOM 0 HG1 THR A 79 28.179 10.752 11.527 1.00 10.33 H new ATOM 0 HG21 THR A 79 27.939 12.092 13.493 1.00 1.41 H new ATOM 0 HG22 THR A 79 27.121 13.661 13.306 1.00 1.41 H new ATOM 0 HG23 THR A 79 26.187 12.151 13.189 1.00 1.41 H new ATOM 1290 N SER A 80 26.626 12.711 8.381 1.00 11.53 N ATOM 1291 CA SER A 80 27.065 12.901 7.004 1.00 64.01 C ATOM 1292 C SER A 80 25.881 13.213 6.094 1.00 63.02 C ATOM 1293 O SER A 80 25.206 12.309 5.602 1.00 31.33 O ATOM 1294 CB SER A 80 27.794 11.652 6.502 1.00 14.52 C ATOM 1295 OG SER A 80 27.086 10.475 6.851 1.00 25.01 O ATOM 0 H SER A 80 26.187 11.808 8.563 1.00 11.53 H new ATOM 0 HA SER A 80 27.751 13.748 6.981 1.00 64.01 H new ATOM 0 HB2 SER A 80 27.908 11.704 5.419 1.00 14.52 H new ATOM 0 HB3 SER A 80 28.797 11.617 6.927 1.00 14.52 H new ATOM 0 HG SER A 80 27.571 9.691 6.518 1.00 25.01 H new ATOM 1301 N VAL A 81 25.635 14.501 5.874 1.00 63.31 N ATOM 1302 CA VAL A 81 24.534 14.934 5.022 1.00 11.05 C ATOM 1303 C VAL A 81 24.398 14.035 3.799 1.00 63.40 C ATOM 1304 O VAL A 81 23.356 13.425 3.559 1.00 63.55 O ATOM 1305 CB VAL A 81 24.723 16.390 4.557 1.00 4.02 C ATOM 1306 CG1 VAL A 81 23.471 17.207 4.837 1.00 44.34 C ATOM 1307 CG2 VAL A 81 25.937 17.011 5.232 1.00 21.12 C ATOM 0 H VAL A 81 26.183 15.262 6.274 1.00 63.31 H new ATOM 0 HA VAL A 81 23.626 14.867 5.621 1.00 11.05 H new ATOM 0 HB VAL A 81 24.894 16.390 3.481 1.00 4.02 H new ATOM 0 HG11 VAL A 81 23.623 18.233 4.502 1.00 44.34 H new ATOM 0 HG12 VAL A 81 22.626 16.772 4.303 1.00 44.34 H new ATOM 0 HG13 VAL A 81 23.265 17.202 5.907 1.00 44.34 H new ATOM 0 HG21 VAL A 81 26.056 18.040 4.892 1.00 21.12 H new ATOM 0 HG22 VAL A 81 25.798 17.000 6.313 1.00 21.12 H new ATOM 0 HG23 VAL A 81 26.828 16.439 4.975 1.00 21.12 H new ATOM 1317 N PRO A 82 25.476 13.948 3.006 1.00 44.43 N ATOM 1318 CA PRO A 82 25.503 13.125 1.793 1.00 24.45 C ATOM 1319 C PRO A 82 25.493 11.632 2.106 1.00 11.24 C ATOM 1320 O PRO A 82 26.521 10.961 2.017 1.00 63.43 O ATOM 1321 CB PRO A 82 26.822 13.521 1.124 1.00 14.32 C ATOM 1322 CG PRO A 82 27.682 14.005 2.240 1.00 42.21 C ATOM 1323 CD PRO A 82 26.752 14.648 3.231 1.00 3.04 C ATOM 0 HA PRO A 82 24.625 13.291 1.168 1.00 24.45 H new ATOM 0 HB2 PRO A 82 27.277 12.673 0.613 1.00 14.32 H new ATOM 0 HB3 PRO A 82 26.669 14.299 0.376 1.00 14.32 H new ATOM 0 HG2 PRO A 82 28.229 13.180 2.697 1.00 42.21 H new ATOM 0 HG3 PRO A 82 28.423 14.719 1.880 1.00 42.21 H new ATOM 0 HD2 PRO A 82 27.105 14.521 4.254 1.00 3.04 H new ATOM 0 HD3 PRO A 82 26.658 15.720 3.057 1.00 3.04 H new ATOM 1331 N THR A 83 24.324 11.117 2.474 1.00 15.40 N ATOM 1332 CA THR A 83 24.179 9.704 2.801 1.00 44.51 C ATOM 1333 C THR A 83 23.315 8.987 1.770 1.00 2.13 C ATOM 1334 O THR A 83 22.494 9.607 1.094 1.00 11.13 O ATOM 1335 CB THR A 83 23.559 9.511 4.198 1.00 43.43 C ATOM 1336 OG1 THR A 83 22.945 10.729 4.634 1.00 45.42 O ATOM 1337 CG2 THR A 83 24.616 9.082 5.204 1.00 20.51 C ATOM 0 H THR A 83 23.463 11.658 2.553 1.00 15.40 H new ATOM 0 HA THR A 83 25.180 9.274 2.794 1.00 44.51 H new ATOM 0 HB THR A 83 22.804 8.728 4.131 1.00 43.43 H new ATOM 0 HG1 THR A 83 21.971 10.621 4.638 1.00 45.42 H new ATOM 0 HG21 THR A 83 24.155 8.952 6.183 1.00 20.51 H new ATOM 0 HG22 THR A 83 25.061 8.140 4.884 1.00 20.51 H new ATOM 0 HG23 THR A 83 25.390 9.846 5.266 1.00 20.51 H new ATOM 1345 N PHE A 84 23.505 7.677 1.655 1.00 33.21 N ATOM 1346 CA PHE A 84 22.742 6.875 0.706 1.00 70.52 C ATOM 1347 C PHE A 84 21.982 5.761 1.421 1.00 4.34 C ATOM 1348 O PHE A 84 22.584 4.853 1.995 1.00 10.33 O ATOM 1349 CB PHE A 84 23.672 6.275 -0.351 1.00 2.11 C ATOM 1350 CG PHE A 84 23.735 7.077 -1.619 1.00 54.31 C ATOM 1351 CD1 PHE A 84 23.928 8.449 -1.578 1.00 70.43 C ATOM 1352 CD2 PHE A 84 23.599 6.460 -2.852 1.00 62.02 C ATOM 1353 CE1 PHE A 84 23.986 9.190 -2.744 1.00 22.25 C ATOM 1354 CE2 PHE A 84 23.657 7.196 -4.021 1.00 20.23 C ATOM 1355 CZ PHE A 84 23.850 8.563 -3.966 1.00 75.53 C ATOM 0 H PHE A 84 24.181 7.148 2.207 1.00 33.21 H new ATOM 0 HA PHE A 84 22.019 7.528 0.217 1.00 70.52 H new ATOM 0 HB2 PHE A 84 24.676 6.190 0.066 1.00 2.11 H new ATOM 0 HB3 PHE A 84 23.338 5.264 -0.586 1.00 2.11 H new ATOM 0 HD1 PHE A 84 24.034 8.945 -0.624 1.00 70.43 H new ATOM 0 HD2 PHE A 84 23.446 5.392 -2.901 1.00 62.02 H new ATOM 0 HE1 PHE A 84 24.138 10.258 -2.699 1.00 22.25 H new ATOM 0 HE2 PHE A 84 23.552 6.703 -4.976 1.00 20.23 H new ATOM 0 HZ PHE A 84 23.894 9.140 -4.878 1.00 75.53 H new ATOM 1365 N VAL A 85 20.656 5.839 1.383 1.00 31.14 N ATOM 1366 CA VAL A 85 19.813 4.839 2.027 1.00 32.31 C ATOM 1367 C VAL A 85 19.101 3.972 0.994 1.00 42.51 C ATOM 1368 O VAL A 85 18.501 4.484 0.048 1.00 21.20 O ATOM 1369 CB VAL A 85 18.762 5.495 2.942 1.00 51.10 C ATOM 1370 CG1 VAL A 85 18.016 4.439 3.743 1.00 60.44 C ATOM 1371 CG2 VAL A 85 19.419 6.510 3.865 1.00 2.01 C ATOM 0 H VAL A 85 20.142 6.584 0.913 1.00 31.14 H new ATOM 0 HA VAL A 85 20.470 4.214 2.631 1.00 32.31 H new ATOM 0 HB VAL A 85 18.039 6.020 2.317 1.00 51.10 H new ATOM 0 HG11 VAL A 85 17.278 4.922 4.383 1.00 60.44 H new ATOM 0 HG12 VAL A 85 17.512 3.754 3.061 1.00 60.44 H new ATOM 0 HG13 VAL A 85 18.723 3.883 4.359 1.00 60.44 H new ATOM 0 HG21 VAL A 85 18.662 6.964 4.504 1.00 2.01 H new ATOM 0 HG22 VAL A 85 20.164 6.010 4.484 1.00 2.01 H new ATOM 0 HG23 VAL A 85 19.902 7.284 3.269 1.00 2.01 H new ATOM 1381 N ILE A 86 19.172 2.659 1.182 1.00 71.04 N ATOM 1382 CA ILE A 86 18.533 1.722 0.266 1.00 32.45 C ATOM 1383 C ILE A 86 17.328 1.051 0.919 1.00 42.54 C ATOM 1384 O ILE A 86 17.454 0.399 1.954 1.00 64.52 O ATOM 1385 CB ILE A 86 19.517 0.635 -0.205 1.00 44.42 C ATOM 1386 CG1 ILE A 86 20.861 1.263 -0.583 1.00 13.11 C ATOM 1387 CG2 ILE A 86 18.935 -0.132 -1.383 1.00 3.20 C ATOM 1388 CD1 ILE A 86 21.939 0.246 -0.887 1.00 54.41 C ATOM 0 H ILE A 86 19.665 2.220 1.959 1.00 71.04 H new ATOM 0 HA ILE A 86 18.202 2.300 -0.597 1.00 32.45 H new ATOM 0 HB ILE A 86 19.681 -0.065 0.614 1.00 44.42 H new ATOM 0 HG12 ILE A 86 20.721 1.904 -1.454 1.00 13.11 H new ATOM 0 HG13 ILE A 86 21.196 1.903 0.233 1.00 13.11 H new ATOM 0 HG21 ILE A 86 19.642 -0.897 -1.704 1.00 3.20 H new ATOM 0 HG22 ILE A 86 18.000 -0.605 -1.083 1.00 3.20 H new ATOM 0 HG23 ILE A 86 18.745 0.556 -2.207 1.00 3.20 H new ATOM 0 HD11 ILE A 86 22.863 0.762 -1.147 1.00 54.41 H new ATOM 0 HD12 ILE A 86 22.107 -0.379 -0.010 1.00 54.41 H new ATOM 0 HD13 ILE A 86 21.625 -0.378 -1.723 1.00 54.41 H new ATOM 1400 N GLU A 87 16.161 1.217 0.304 1.00 61.21 N ATOM 1401 CA GLU A 87 14.934 0.627 0.825 1.00 73.51 C ATOM 1402 C GLU A 87 14.444 -0.499 -0.082 1.00 31.03 C ATOM 1403 O GLU A 87 14.874 -0.619 -1.229 1.00 75.42 O ATOM 1404 CB GLU A 87 13.847 1.694 0.963 1.00 13.43 C ATOM 1405 CG GLU A 87 13.690 2.567 -0.271 1.00 4.35 C ATOM 1406 CD GLU A 87 12.244 2.713 -0.702 1.00 42.44 C ATOM 1407 OE1 GLU A 87 11.598 1.678 -0.969 1.00 50.42 O ATOM 1408 OE2 GLU A 87 11.759 3.862 -0.774 1.00 32.41 O ATOM 0 H GLU A 87 16.040 1.754 -0.554 1.00 61.21 H new ATOM 0 HA GLU A 87 15.151 0.210 1.809 1.00 73.51 H new ATOM 0 HB2 GLU A 87 12.896 1.206 1.176 1.00 13.43 H new ATOM 0 HB3 GLU A 87 14.079 2.328 1.819 1.00 13.43 H new ATOM 0 HG2 GLU A 87 14.106 3.554 -0.069 1.00 4.35 H new ATOM 0 HG3 GLU A 87 14.268 2.139 -1.090 1.00 4.35 H new ATOM 1415 N LYS A 88 13.542 -1.322 0.442 1.00 71.31 N ATOM 1416 CA LYS A 88 12.992 -2.438 -0.318 1.00 74.30 C ATOM 1417 C LYS A 88 11.785 -3.040 0.395 1.00 0.03 C ATOM 1418 O LYS A 88 11.900 -3.547 1.510 1.00 22.41 O ATOM 1419 CB LYS A 88 14.060 -3.513 -0.531 1.00 31.32 C ATOM 1420 CG LYS A 88 13.652 -4.588 -1.524 1.00 30.15 C ATOM 1421 CD LYS A 88 13.078 -5.807 -0.821 1.00 53.01 C ATOM 1422 CE LYS A 88 11.658 -6.099 -1.283 1.00 1.03 C ATOM 1423 NZ LYS A 88 11.193 -7.439 -0.831 1.00 33.42 N ATOM 0 H LYS A 88 13.176 -1.237 1.390 1.00 71.31 H new ATOM 0 HA LYS A 88 12.668 -2.060 -1.287 1.00 74.30 H new ATOM 0 HB2 LYS A 88 14.977 -3.038 -0.879 1.00 31.32 H new ATOM 0 HB3 LYS A 88 14.287 -3.982 0.426 1.00 31.32 H new ATOM 0 HG2 LYS A 88 12.913 -4.184 -2.216 1.00 30.15 H new ATOM 0 HG3 LYS A 88 14.517 -4.883 -2.118 1.00 30.15 H new ATOM 0 HD2 LYS A 88 13.711 -6.673 -1.016 1.00 53.01 H new ATOM 0 HD3 LYS A 88 13.085 -5.644 0.257 1.00 53.01 H new ATOM 0 HE2 LYS A 88 10.986 -5.332 -0.898 1.00 1.03 H new ATOM 0 HE3 LYS A 88 11.612 -6.046 -2.371 1.00 1.03 H new ATOM 0 HZ1 LYS A 88 10.222 -7.600 -1.166 1.00 33.42 H new ATOM 0 HZ2 LYS A 88 11.819 -8.173 -1.219 1.00 33.42 H new ATOM 0 HZ3 LYS A 88 11.213 -7.481 0.208 1.00 33.42 H new ATOM 1437 N GLY A 89 10.627 -2.981 -0.256 1.00 44.33 N ATOM 1438 CA GLY A 89 9.417 -3.525 0.331 1.00 51.41 C ATOM 1439 C GLY A 89 8.808 -2.599 1.365 1.00 33.03 C ATOM 1440 O GLY A 89 7.778 -2.914 1.961 1.00 42.24 O ATOM 0 H GLY A 89 10.506 -2.566 -1.180 1.00 44.33 H new ATOM 0 HA2 GLY A 89 8.688 -3.715 -0.457 1.00 51.41 H new ATOM 0 HA3 GLY A 89 9.642 -4.485 0.795 1.00 51.41 H new ATOM 1444 N GLY A 90 9.447 -1.453 1.581 1.00 34.15 N ATOM 1445 CA GLY A 90 8.948 -0.497 2.553 1.00 74.41 C ATOM 1446 C GLY A 90 9.682 -0.579 3.876 1.00 2.43 C ATOM 1447 O GLY A 90 9.080 -0.424 4.938 1.00 55.31 O ATOM 0 H GLY A 90 10.301 -1.170 1.101 1.00 34.15 H new ATOM 0 HA2 GLY A 90 9.045 0.511 2.149 1.00 74.41 H new ATOM 0 HA3 GLY A 90 7.885 -0.673 2.719 1.00 74.41 H new ATOM 1451 N GLU A 91 10.987 -0.824 3.813 1.00 2.11 N ATOM 1452 CA GLU A 91 11.803 -0.928 5.017 1.00 44.01 C ATOM 1453 C GLU A 91 13.287 -0.806 4.681 1.00 51.23 C ATOM 1454 O GLU A 91 13.718 -1.064 3.557 1.00 52.45 O ATOM 1455 CB GLU A 91 11.538 -2.257 5.727 1.00 71.34 C ATOM 1456 CG GLU A 91 11.469 -3.447 4.784 1.00 32.21 C ATOM 1457 CD GLU A 91 11.266 -4.760 5.516 1.00 53.23 C ATOM 1458 OE1 GLU A 91 12.198 -5.193 6.225 1.00 32.21 O ATOM 1459 OE2 GLU A 91 10.176 -5.353 5.379 1.00 72.40 O ATOM 0 H GLU A 91 11.501 -0.954 2.942 1.00 2.11 H new ATOM 0 HA GLU A 91 11.530 -0.108 5.682 1.00 44.01 H new ATOM 0 HB2 GLU A 91 12.325 -2.431 6.461 1.00 71.34 H new ATOM 0 HB3 GLU A 91 10.600 -2.185 6.277 1.00 71.34 H new ATOM 0 HG2 GLU A 91 10.652 -3.299 4.077 1.00 32.21 H new ATOM 0 HG3 GLU A 91 12.389 -3.498 4.202 1.00 32.21 H new ATOM 1466 N PRO A 92 14.088 -0.402 5.678 1.00 31.30 N ATOM 1467 CA PRO A 92 15.535 -0.236 5.513 1.00 21.42 C ATOM 1468 C PRO A 92 16.256 -1.569 5.342 1.00 33.34 C ATOM 1469 O PRO A 92 16.095 -2.482 6.154 1.00 43.01 O ATOM 1470 CB PRO A 92 15.965 0.441 6.817 1.00 62.21 C ATOM 1471 CG PRO A 92 14.930 0.040 7.811 1.00 3.50 C ATOM 1472 CD PRO A 92 13.643 -0.078 7.044 1.00 54.34 C ATOM 0 HA PRO A 92 15.780 0.336 4.618 1.00 21.42 H new ATOM 0 HB2 PRO A 92 16.958 0.113 7.125 1.00 62.21 H new ATOM 0 HB3 PRO A 92 16.008 1.524 6.705 1.00 62.21 H new ATOM 0 HG2 PRO A 92 15.190 -0.907 8.285 1.00 3.50 H new ATOM 0 HG3 PRO A 92 14.844 0.781 8.606 1.00 3.50 H new ATOM 0 HD2 PRO A 92 13.001 -0.858 7.453 1.00 54.34 H new ATOM 0 HD3 PRO A 92 13.073 0.850 7.071 1.00 54.34 H new ATOM 1480 N LEU A 93 17.050 -1.675 4.283 1.00 61.40 N ATOM 1481 CA LEU A 93 17.797 -2.898 4.006 1.00 54.32 C ATOM 1482 C LEU A 93 19.296 -2.669 4.169 1.00 32.02 C ATOM 1483 O LEU A 93 20.001 -3.494 4.749 1.00 75.34 O ATOM 1484 CB LEU A 93 17.496 -3.392 2.590 1.00 70.41 C ATOM 1485 CG LEU A 93 17.867 -4.846 2.294 1.00 42.12 C ATOM 1486 CD1 LEU A 93 17.113 -5.789 3.218 1.00 12.55 C ATOM 1487 CD2 LEU A 93 17.582 -5.183 0.837 1.00 23.05 C ATOM 0 H LEU A 93 17.194 -0.930 3.602 1.00 61.40 H new ATOM 0 HA LEU A 93 17.484 -3.657 4.723 1.00 54.32 H new ATOM 0 HB2 LEU A 93 16.430 -3.264 2.401 1.00 70.41 H new ATOM 0 HB3 LEU A 93 18.024 -2.752 1.883 1.00 70.41 H new ATOM 0 HG LEU A 93 18.935 -4.972 2.474 1.00 42.12 H new ATOM 0 HD11 LEU A 93 17.390 -6.819 2.992 1.00 12.55 H new ATOM 0 HD12 LEU A 93 17.367 -5.564 4.254 1.00 12.55 H new ATOM 0 HD13 LEU A 93 16.040 -5.662 3.071 1.00 12.55 H new ATOM 0 HD21 LEU A 93 17.852 -6.221 0.644 1.00 23.05 H new ATOM 0 HD22 LEU A 93 16.521 -5.040 0.631 1.00 23.05 H new ATOM 0 HD23 LEU A 93 18.169 -4.530 0.191 1.00 23.05 H new ATOM 1499 N GLY A 94 19.777 -1.541 3.656 1.00 52.34 N ATOM 1500 CA GLY A 94 21.189 -1.222 3.757 1.00 60.42 C ATOM 1501 C GLY A 94 21.444 0.270 3.820 1.00 12.52 C ATOM 1502 O GLY A 94 20.510 1.069 3.752 1.00 30.23 O ATOM 0 H GLY A 94 19.214 -0.842 3.172 1.00 52.34 H new ATOM 0 HA2 GLY A 94 21.602 -1.696 4.647 1.00 60.42 H new ATOM 0 HA3 GLY A 94 21.715 -1.641 2.899 1.00 60.42 H new ATOM 1506 N GLU A 95 22.712 0.648 3.952 1.00 34.15 N ATOM 1507 CA GLU A 95 23.085 2.055 4.028 1.00 40.42 C ATOM 1508 C GLU A 95 24.594 2.227 3.875 1.00 54.15 C ATOM 1509 O GLU A 95 25.373 1.375 4.301 1.00 62.25 O ATOM 1510 CB GLU A 95 22.625 2.658 5.357 1.00 75.22 C ATOM 1511 CG GLU A 95 23.489 2.255 6.540 1.00 72.33 C ATOM 1512 CD GLU A 95 23.468 0.760 6.795 1.00 41.20 C ATOM 1513 OE1 GLU A 95 24.489 0.097 6.515 1.00 75.15 O ATOM 1514 OE2 GLU A 95 22.432 0.254 7.275 1.00 63.15 O ATOM 0 H GLU A 95 23.497 -0.000 4.008 1.00 34.15 H new ATOM 0 HA GLU A 95 22.591 2.579 3.210 1.00 40.42 H new ATOM 0 HB2 GLU A 95 22.624 3.745 5.272 1.00 75.22 H new ATOM 0 HB3 GLU A 95 21.596 2.352 5.548 1.00 75.22 H new ATOM 0 HG2 GLU A 95 24.516 2.575 6.361 1.00 72.33 H new ATOM 0 HG3 GLU A 95 23.143 2.777 7.432 1.00 72.33 H new ATOM 1521 N VAL A 96 24.998 3.336 3.262 1.00 20.44 N ATOM 1522 CA VAL A 96 26.412 3.621 3.053 1.00 64.53 C ATOM 1523 C VAL A 96 26.757 5.041 3.487 1.00 23.41 C ATOM 1524 O VAL A 96 25.935 5.951 3.382 1.00 2.00 O ATOM 1525 CB VAL A 96 26.809 3.437 1.576 1.00 61.42 C ATOM 1526 CG1 VAL A 96 28.292 3.713 1.383 1.00 63.04 C ATOM 1527 CG2 VAL A 96 26.453 2.037 1.099 1.00 33.42 C ATOM 0 H VAL A 96 24.366 4.051 2.902 1.00 20.44 H new ATOM 0 HA VAL A 96 26.971 2.912 3.663 1.00 64.53 H new ATOM 0 HB VAL A 96 26.249 4.154 0.976 1.00 61.42 H new ATOM 0 HG11 VAL A 96 28.554 3.578 0.334 1.00 63.04 H new ATOM 0 HG12 VAL A 96 28.514 4.737 1.683 1.00 63.04 H new ATOM 0 HG13 VAL A 96 28.873 3.022 1.994 1.00 63.04 H new ATOM 0 HG21 VAL A 96 26.740 1.925 0.054 1.00 33.42 H new ATOM 0 HG22 VAL A 96 26.984 1.301 1.702 1.00 33.42 H new ATOM 0 HG23 VAL A 96 25.379 1.881 1.199 1.00 33.42 H new ATOM 1537 N LYS A 97 27.979 5.224 3.976 1.00 63.44 N ATOM 1538 CA LYS A 97 28.436 6.533 4.425 1.00 12.31 C ATOM 1539 C LYS A 97 29.798 6.870 3.827 1.00 71.34 C ATOM 1540 O LYS A 97 30.828 6.383 4.291 1.00 60.24 O ATOM 1541 CB LYS A 97 28.515 6.572 5.953 1.00 53.00 C ATOM 1542 CG LYS A 97 27.334 5.909 6.640 1.00 75.10 C ATOM 1543 CD LYS A 97 27.735 4.600 7.300 1.00 52.24 C ATOM 1544 CE LYS A 97 26.798 4.243 8.444 1.00 65.43 C ATOM 1545 NZ LYS A 97 25.370 4.276 8.023 1.00 65.43 N ATOM 0 H LYS A 97 28.671 4.481 4.071 1.00 63.44 H new ATOM 0 HA LYS A 97 27.716 7.277 4.085 1.00 12.31 H new ATOM 0 HB2 LYS A 97 29.434 6.081 6.274 1.00 53.00 H new ATOM 0 HB3 LYS A 97 28.578 7.610 6.279 1.00 53.00 H new ATOM 0 HG2 LYS A 97 26.922 6.584 7.390 1.00 75.10 H new ATOM 0 HG3 LYS A 97 26.545 5.723 5.911 1.00 75.10 H new ATOM 0 HD2 LYS A 97 27.728 3.800 6.559 1.00 52.24 H new ATOM 0 HD3 LYS A 97 28.756 4.678 7.675 1.00 52.24 H new ATOM 0 HE2 LYS A 97 27.043 3.249 8.818 1.00 65.43 H new ATOM 0 HE3 LYS A 97 26.950 4.940 9.268 1.00 65.43 H new ATOM 0 HZ1 LYS A 97 24.858 3.489 8.470 1.00 65.43 H new ATOM 0 HZ2 LYS A 97 24.943 5.178 8.316 1.00 65.43 H new ATOM 0 HZ3 LYS A 97 25.311 4.184 6.989 1.00 65.43 H new ATOM 1559 N GLY A 98 29.795 7.707 2.794 1.00 42.04 N ATOM 1560 CA GLY A 98 31.037 8.095 2.150 1.00 74.01 C ATOM 1561 C GLY A 98 30.916 8.144 0.640 1.00 51.23 C ATOM 1562 O GLY A 98 30.057 7.495 0.043 1.00 71.13 O ATOM 0 H GLY A 98 28.955 8.123 2.392 1.00 42.04 H new ATOM 0 HA2 GLY A 98 31.344 9.074 2.519 1.00 74.01 H new ATOM 0 HA3 GLY A 98 31.821 7.390 2.426 1.00 74.01 H new ATOM 1566 N PRO A 99 31.792 8.932 -0.002 1.00 75.45 N ATOM 1567 CA PRO A 99 31.799 9.083 -1.461 1.00 33.15 C ATOM 1568 C PRO A 99 32.265 7.818 -2.172 1.00 72.44 C ATOM 1569 O PRO A 99 33.464 7.563 -2.284 1.00 61.05 O ATOM 1570 CB PRO A 99 32.792 10.224 -1.694 1.00 14.32 C ATOM 1571 CG PRO A 99 33.693 10.191 -0.508 1.00 34.12 C ATOM 1572 CD PRO A 99 32.842 9.734 0.645 1.00 5.23 C ATOM 0 HA PRO A 99 30.802 9.280 -1.856 1.00 33.15 H new ATOM 0 HB2 PRO A 99 33.350 10.080 -2.619 1.00 14.32 H new ATOM 0 HB3 PRO A 99 32.281 11.183 -1.776 1.00 14.32 H new ATOM 0 HG2 PRO A 99 34.528 9.510 -0.671 1.00 34.12 H new ATOM 0 HG3 PRO A 99 34.118 11.176 -0.313 1.00 34.12 H new ATOM 0 HD2 PRO A 99 33.416 9.143 1.359 1.00 5.23 H new ATOM 0 HD3 PRO A 99 32.423 10.577 1.194 1.00 5.23 H new ATOM 1580 N ASP A 100 31.310 7.028 -2.652 1.00 51.41 N ATOM 1581 CA ASP A 100 31.623 5.790 -3.355 1.00 61.30 C ATOM 1582 C ASP A 100 30.623 5.534 -4.478 1.00 51.42 C ATOM 1583 O ASP A 100 30.059 4.445 -4.585 1.00 24.22 O ATOM 1584 CB ASP A 100 31.625 4.611 -2.380 1.00 3.42 C ATOM 1585 CG ASP A 100 30.248 4.325 -1.815 1.00 0.14 C ATOM 1586 OD1 ASP A 100 29.400 5.242 -1.824 1.00 1.22 O ATOM 1587 OD2 ASP A 100 30.018 3.184 -1.364 1.00 33.31 O ATOM 0 H ASP A 100 30.313 7.224 -2.567 1.00 51.41 H new ATOM 0 HA ASP A 100 32.616 5.892 -3.793 1.00 61.30 H new ATOM 0 HB2 ASP A 100 31.997 3.722 -2.890 1.00 3.42 H new ATOM 0 HB3 ASP A 100 32.314 4.821 -1.562 1.00 3.42 H new ATOM 1592 N ILE A 101 30.407 6.546 -5.312 1.00 72.13 N ATOM 1593 CA ILE A 101 29.475 6.431 -6.427 1.00 33.41 C ATOM 1594 C ILE A 101 29.851 5.269 -7.340 1.00 60.22 C ATOM 1595 O ILE A 101 28.990 4.665 -7.980 1.00 20.40 O ATOM 1596 CB ILE A 101 29.427 7.727 -7.257 1.00 73.21 C ATOM 1597 CG1 ILE A 101 28.693 8.826 -6.485 1.00 61.34 C ATOM 1598 CG2 ILE A 101 28.753 7.473 -8.597 1.00 73.12 C ATOM 1599 CD1 ILE A 101 27.235 8.514 -6.229 1.00 62.04 C ATOM 0 H ILE A 101 30.865 7.454 -5.237 1.00 72.13 H new ATOM 0 HA ILE A 101 28.490 6.248 -5.997 1.00 33.41 H new ATOM 0 HB ILE A 101 30.448 8.060 -7.443 1.00 73.21 H new ATOM 0 HG12 ILE A 101 29.195 8.986 -5.531 1.00 61.34 H new ATOM 0 HG13 ILE A 101 28.764 9.760 -7.043 1.00 61.34 H new ATOM 0 HG21 ILE A 101 28.727 8.398 -9.172 1.00 73.12 H new ATOM 0 HG22 ILE A 101 29.313 6.718 -9.149 1.00 73.12 H new ATOM 0 HG23 ILE A 101 27.735 7.120 -8.431 1.00 73.12 H new ATOM 0 HD11 ILE A 101 26.778 9.336 -5.678 1.00 62.04 H new ATOM 0 HD12 ILE A 101 26.718 8.383 -7.180 1.00 62.04 H new ATOM 0 HD13 ILE A 101 27.156 7.597 -5.645 1.00 62.04 H new ATOM 1611 N ASP A 102 31.142 4.961 -7.395 1.00 20.45 N ATOM 1612 CA ASP A 102 31.633 3.869 -8.227 1.00 60.33 C ATOM 1613 C ASP A 102 31.387 2.521 -7.556 1.00 64.25 C ATOM 1614 O ASP A 102 30.975 1.558 -8.204 1.00 40.53 O ATOM 1615 CB ASP A 102 33.125 4.047 -8.511 1.00 64.31 C ATOM 1616 CG ASP A 102 33.405 5.228 -9.419 1.00 62.02 C ATOM 1617 OD1 ASP A 102 34.224 6.090 -9.037 1.00 25.21 O ATOM 1618 OD2 ASP A 102 32.806 5.290 -10.513 1.00 14.24 O ATOM 0 H ASP A 102 31.868 5.452 -6.873 1.00 20.45 H new ATOM 0 HA ASP A 102 31.087 3.890 -9.170 1.00 60.33 H new ATOM 0 HB2 ASP A 102 33.657 4.182 -7.570 1.00 64.31 H new ATOM 0 HB3 ASP A 102 33.515 3.139 -8.970 1.00 64.31 H new ATOM 1623 N LYS A 103 31.644 2.458 -6.254 1.00 43.23 N ATOM 1624 CA LYS A 103 31.451 1.229 -5.494 1.00 44.11 C ATOM 1625 C LYS A 103 29.968 0.960 -5.262 1.00 60.35 C ATOM 1626 O LYS A 103 29.573 -0.163 -4.944 1.00 53.42 O ATOM 1627 CB LYS A 103 32.181 1.316 -4.151 1.00 73.35 C ATOM 1628 CG LYS A 103 32.631 -0.032 -3.616 1.00 30.32 C ATOM 1629 CD LYS A 103 33.146 0.078 -2.190 1.00 74.34 C ATOM 1630 CE LYS A 103 32.412 -0.873 -1.258 1.00 35.52 C ATOM 1631 NZ LYS A 103 33.335 -1.517 -0.283 1.00 31.22 N ATOM 0 H LYS A 103 31.987 3.245 -5.703 1.00 43.23 H new ATOM 0 HA LYS A 103 31.865 0.404 -6.073 1.00 44.11 H new ATOM 0 HB2 LYS A 103 33.051 1.963 -4.261 1.00 73.35 H new ATOM 0 HB3 LYS A 103 31.524 1.787 -3.420 1.00 73.35 H new ATOM 0 HG2 LYS A 103 31.798 -0.734 -3.650 1.00 30.32 H new ATOM 0 HG3 LYS A 103 33.415 -0.436 -4.257 1.00 30.32 H new ATOM 0 HD2 LYS A 103 34.213 -0.142 -2.169 1.00 74.34 H new ATOM 0 HD3 LYS A 103 33.025 1.102 -1.836 1.00 74.34 H new ATOM 0 HE2 LYS A 103 31.637 -0.327 -0.719 1.00 35.52 H new ATOM 0 HE3 LYS A 103 31.910 -1.642 -1.845 1.00 35.52 H new ATOM 0 HZ1 LYS A 103 32.796 -2.158 0.334 1.00 31.22 H new ATOM 0 HZ2 LYS A 103 34.059 -2.059 -0.796 1.00 31.22 H new ATOM 0 HZ3 LYS A 103 33.795 -0.785 0.295 1.00 31.22 H new ATOM 1645 N LEU A 104 29.151 1.995 -5.425 1.00 61.54 N ATOM 1646 CA LEU A 104 27.710 1.869 -5.236 1.00 2.15 C ATOM 1647 C LEU A 104 27.150 0.717 -6.063 1.00 22.50 C ATOM 1648 O LEU A 104 26.256 -0.003 -5.618 1.00 20.22 O ATOM 1649 CB LEU A 104 27.010 3.174 -5.618 1.00 51.13 C ATOM 1650 CG LEU A 104 25.553 3.309 -5.175 1.00 73.10 C ATOM 1651 CD1 LEU A 104 25.466 4.026 -3.837 1.00 1.22 C ATOM 1652 CD2 LEU A 104 24.740 4.045 -6.230 1.00 42.03 C ATOM 0 H LEU A 104 29.462 2.930 -5.688 1.00 61.54 H new ATOM 0 HA LEU A 104 27.524 1.659 -4.183 1.00 2.15 H new ATOM 0 HB2 LEU A 104 27.576 4.004 -5.195 1.00 51.13 H new ATOM 0 HB3 LEU A 104 27.051 3.281 -6.702 1.00 51.13 H new ATOM 0 HG LEU A 104 25.136 2.309 -5.056 1.00 73.10 H new ATOM 0 HD11 LEU A 104 24.421 4.113 -3.538 1.00 1.22 H new ATOM 0 HD12 LEU A 104 26.013 3.459 -3.084 1.00 1.22 H new ATOM 0 HD13 LEU A 104 25.901 5.021 -3.929 1.00 1.22 H new ATOM 0 HD21 LEU A 104 23.706 4.132 -5.897 1.00 42.03 H new ATOM 0 HD22 LEU A 104 25.157 5.041 -6.382 1.00 42.03 H new ATOM 0 HD23 LEU A 104 24.774 3.491 -7.168 1.00 42.03 H new ATOM 1664 N ARG A 105 27.684 0.546 -7.268 1.00 53.32 N ATOM 1665 CA ARG A 105 27.238 -0.519 -8.157 1.00 71.55 C ATOM 1666 C ARG A 105 27.344 -1.879 -7.472 1.00 55.15 C ATOM 1667 O ARG A 105 26.514 -2.761 -7.692 1.00 12.32 O ATOM 1668 CB ARG A 105 28.066 -0.519 -9.444 1.00 33.01 C ATOM 1669 CG ARG A 105 29.515 -0.928 -9.236 1.00 12.01 C ATOM 1670 CD ARG A 105 30.387 -0.504 -10.407 1.00 50.12 C ATOM 1671 NE ARG A 105 31.532 -1.392 -10.587 1.00 22.23 N ATOM 1672 CZ ARG A 105 32.547 -1.465 -9.732 1.00 75.41 C ATOM 1673 NH1 ARG A 105 32.557 -0.707 -8.644 1.00 64.35 N ATOM 1674 NH2 ARG A 105 33.553 -2.299 -9.965 1.00 13.34 N ATOM 0 H ARG A 105 28.426 1.132 -7.651 1.00 53.32 H new ATOM 0 HA ARG A 105 26.193 -0.336 -8.405 1.00 71.55 H new ATOM 0 HB2 ARG A 105 27.605 -1.197 -10.162 1.00 33.01 H new ATOM 0 HB3 ARG A 105 28.038 0.478 -9.884 1.00 33.01 H new ATOM 0 HG2 ARG A 105 29.893 -0.478 -8.318 1.00 12.01 H new ATOM 0 HG3 ARG A 105 29.574 -2.009 -9.109 1.00 12.01 H new ATOM 0 HD2 ARG A 105 29.790 -0.494 -11.319 1.00 50.12 H new ATOM 0 HD3 ARG A 105 30.740 0.515 -10.246 1.00 50.12 H new ATOM 0 HE ARG A 105 31.554 -1.989 -11.414 1.00 22.23 H new ATOM 0 HH11 ARG A 105 31.785 -0.066 -8.462 1.00 64.35 H new ATOM 0 HH12 ARG A 105 33.337 -0.765 -7.989 1.00 64.35 H new ATOM 0 HH21 ARG A 105 33.547 -2.884 -10.800 1.00 13.34 H new ATOM 0 HH22 ARG A 105 34.332 -2.355 -9.309 1.00 13.34 H new ATOM 1688 N GLU A 106 28.370 -2.040 -6.643 1.00 11.20 N ATOM 1689 CA GLU A 106 28.584 -3.292 -5.928 1.00 31.24 C ATOM 1690 C GLU A 106 27.878 -3.273 -4.575 1.00 23.44 C ATOM 1691 O GLU A 106 27.275 -4.264 -4.162 1.00 30.53 O ATOM 1692 CB GLU A 106 30.080 -3.544 -5.731 1.00 44.21 C ATOM 1693 CG GLU A 106 30.924 -3.173 -6.939 1.00 53.34 C ATOM 1694 CD GLU A 106 32.383 -3.548 -6.770 1.00 20.22 C ATOM 1695 OE1 GLU A 106 33.073 -2.894 -5.959 1.00 72.53 O ATOM 1696 OE2 GLU A 106 32.835 -4.495 -7.447 1.00 43.40 O ATOM 0 H GLU A 106 29.066 -1.319 -6.450 1.00 11.20 H new ATOM 0 HA GLU A 106 28.163 -4.099 -6.527 1.00 31.24 H new ATOM 0 HB2 GLU A 106 30.425 -2.974 -4.868 1.00 44.21 H new ATOM 0 HB3 GLU A 106 30.235 -4.598 -5.500 1.00 44.21 H new ATOM 0 HG2 GLU A 106 30.525 -3.671 -7.823 1.00 53.34 H new ATOM 0 HG3 GLU A 106 30.847 -2.100 -7.116 1.00 53.34 H new ATOM 1703 N THR A 107 27.959 -2.138 -3.887 1.00 73.15 N ATOM 1704 CA THR A 107 27.330 -1.989 -2.581 1.00 24.41 C ATOM 1705 C THR A 107 25.821 -2.180 -2.672 1.00 33.31 C ATOM 1706 O THR A 107 25.185 -2.641 -1.723 1.00 74.32 O ATOM 1707 CB THR A 107 27.626 -0.607 -1.970 1.00 13.33 C ATOM 1708 OG1 THR A 107 28.980 -0.229 -2.243 1.00 33.32 O ATOM 1709 CG2 THR A 107 27.390 -0.618 -0.467 1.00 23.02 C ATOM 0 H THR A 107 28.455 -1.308 -4.213 1.00 73.15 H new ATOM 0 HA THR A 107 27.752 -2.761 -1.937 1.00 24.41 H new ATOM 0 HB THR A 107 26.949 0.118 -2.423 1.00 13.33 H new ATOM 0 HG1 THR A 107 29.092 -0.085 -3.206 1.00 33.32 H new ATOM 0 HG21 THR A 107 27.606 0.369 -0.058 1.00 23.02 H new ATOM 0 HG22 THR A 107 26.351 -0.876 -0.264 1.00 23.02 H new ATOM 0 HG23 THR A 107 28.044 -1.355 -0.001 1.00 23.02 H new ATOM 1717 N LEU A 108 25.252 -1.824 -3.818 1.00 62.05 N ATOM 1718 CA LEU A 108 23.816 -1.957 -4.034 1.00 34.11 C ATOM 1719 C LEU A 108 23.464 -3.363 -4.510 1.00 42.24 C ATOM 1720 O LEU A 108 22.336 -3.824 -4.337 1.00 20.01 O ATOM 1721 CB LEU A 108 23.335 -0.925 -5.056 1.00 4.03 C ATOM 1722 CG LEU A 108 23.227 -1.412 -6.501 1.00 42.32 C ATOM 1723 CD1 LEU A 108 21.855 -2.013 -6.760 1.00 73.35 C ATOM 1724 CD2 LEU A 108 23.503 -0.271 -7.470 1.00 62.21 C ATOM 0 H LEU A 108 25.764 -1.441 -4.613 1.00 62.05 H new ATOM 0 HA LEU A 108 23.314 -1.779 -3.083 1.00 34.11 H new ATOM 0 HB2 LEU A 108 22.357 -0.561 -4.742 1.00 4.03 H new ATOM 0 HB3 LEU A 108 24.015 -0.074 -5.030 1.00 4.03 H new ATOM 0 HG LEU A 108 23.977 -2.187 -6.660 1.00 42.32 H new ATOM 0 HD11 LEU A 108 21.796 -2.354 -7.794 1.00 73.35 H new ATOM 0 HD12 LEU A 108 21.695 -2.857 -6.090 1.00 73.35 H new ATOM 0 HD13 LEU A 108 21.088 -1.259 -6.583 1.00 73.35 H new ATOM 0 HD21 LEU A 108 23.422 -0.636 -8.494 1.00 62.21 H new ATOM 0 HD22 LEU A 108 22.777 0.526 -7.310 1.00 62.21 H new ATOM 0 HD23 LEU A 108 24.508 0.115 -7.301 1.00 62.21 H new ATOM 1736 N ASP A 109 24.438 -4.039 -5.110 1.00 30.25 N ATOM 1737 CA ASP A 109 24.233 -5.394 -5.608 1.00 71.23 C ATOM 1738 C ASP A 109 24.358 -6.413 -4.480 1.00 32.21 C ATOM 1739 O ASP A 109 23.535 -7.319 -4.356 1.00 74.41 O ATOM 1740 CB ASP A 109 25.242 -5.712 -6.713 1.00 53.11 C ATOM 1741 CG ASP A 109 25.473 -7.201 -6.875 1.00 71.51 C ATOM 1742 OD1 ASP A 109 26.649 -7.623 -6.879 1.00 12.21 O ATOM 1743 OD2 ASP A 109 24.478 -7.946 -6.997 1.00 61.01 O ATOM 0 H ASP A 109 25.377 -3.671 -5.263 1.00 30.25 H new ATOM 0 HA ASP A 109 23.225 -5.455 -6.018 1.00 71.23 H new ATOM 0 HB2 ASP A 109 24.886 -5.298 -7.656 1.00 53.11 H new ATOM 0 HB3 ASP A 109 26.190 -5.223 -6.488 1.00 53.11 H new ATOM 1748 N GLU A 110 25.393 -6.258 -3.661 1.00 3.01 N ATOM 1749 CA GLU A 110 25.626 -7.166 -2.544 1.00 61.43 C ATOM 1750 C GLU A 110 24.393 -7.257 -1.650 1.00 74.14 C ATOM 1751 O GLU A 110 24.200 -8.243 -0.937 1.00 53.23 O ATOM 1752 CB GLU A 110 26.831 -6.703 -1.723 1.00 43.24 C ATOM 1753 CG GLU A 110 28.097 -6.528 -2.546 1.00 11.22 C ATOM 1754 CD GLU A 110 29.041 -7.708 -2.421 1.00 43.42 C ATOM 1755 OE1 GLU A 110 30.234 -7.550 -2.757 1.00 71.13 O ATOM 1756 OE2 GLU A 110 28.588 -8.788 -1.988 1.00 45.33 O ATOM 0 H GLU A 110 26.083 -5.512 -3.750 1.00 3.01 H new ATOM 0 HA GLU A 110 25.832 -8.156 -2.952 1.00 61.43 H new ATOM 0 HB2 GLU A 110 26.589 -5.757 -1.239 1.00 43.24 H new ATOM 0 HB3 GLU A 110 27.020 -7.427 -0.930 1.00 43.24 H new ATOM 0 HG2 GLU A 110 27.829 -6.391 -3.594 1.00 11.22 H new ATOM 0 HG3 GLU A 110 28.611 -5.621 -2.227 1.00 11.22 H new ATOM 1763 N LEU A 111 23.561 -6.222 -1.694 1.00 32.34 N ATOM 1764 CA LEU A 111 22.345 -6.183 -0.888 1.00 24.53 C ATOM 1765 C LEU A 111 21.129 -6.579 -1.718 1.00 55.42 C ATOM 1766 O LEU A 111 20.346 -7.443 -1.320 1.00 50.34 O ATOM 1767 CB LEU A 111 22.144 -4.786 -0.300 1.00 50.41 C ATOM 1768 CG LEU A 111 20.731 -4.459 0.185 1.00 2.41 C ATOM 1769 CD1 LEU A 111 20.782 -3.526 1.385 1.00 15.12 C ATOM 1770 CD2 LEU A 111 19.911 -3.842 -0.938 1.00 50.53 C ATOM 0 H LEU A 111 23.706 -5.399 -2.279 1.00 32.34 H new ATOM 0 HA LEU A 111 22.455 -6.900 -0.074 1.00 24.53 H new ATOM 0 HB2 LEU A 111 22.831 -4.664 0.537 1.00 50.41 H new ATOM 0 HB3 LEU A 111 22.427 -4.052 -1.055 1.00 50.41 H new ATOM 0 HG LEU A 111 20.249 -5.387 0.492 1.00 2.41 H new ATOM 0 HD11 LEU A 111 19.768 -3.304 1.717 1.00 15.12 H new ATOM 0 HD12 LEU A 111 21.332 -4.005 2.195 1.00 15.12 H new ATOM 0 HD13 LEU A 111 21.283 -2.599 1.104 1.00 15.12 H new ATOM 0 HD21 LEU A 111 18.909 -3.616 -0.575 1.00 50.53 H new ATOM 0 HD22 LEU A 111 20.390 -2.923 -1.276 1.00 50.53 H new ATOM 0 HD23 LEU A 111 19.846 -4.544 -1.769 1.00 50.53 H new ATOM 1782 N LEU A 112 20.976 -5.942 -2.874 1.00 61.44 N ATOM 1783 CA LEU A 112 19.855 -6.229 -3.763 1.00 44.13 C ATOM 1784 C LEU A 112 19.856 -7.695 -4.186 1.00 2.44 C ATOM 1785 O LEU A 112 18.831 -8.231 -4.604 1.00 15.22 O ATOM 1786 CB LEU A 112 19.917 -5.330 -5.000 1.00 32.15 C ATOM 1787 CG LEU A 112 18.651 -5.280 -5.856 1.00 43.33 C ATOM 1788 CD1 LEU A 112 17.448 -4.894 -5.010 1.00 4.24 C ATOM 1789 CD2 LEU A 112 18.828 -4.305 -7.011 1.00 53.33 C ATOM 0 H LEU A 112 21.614 -5.224 -3.218 1.00 61.44 H new ATOM 0 HA LEU A 112 18.932 -6.027 -3.220 1.00 44.13 H new ATOM 0 HB2 LEU A 112 20.153 -4.316 -4.677 1.00 32.15 H new ATOM 0 HB3 LEU A 112 20.743 -5.665 -5.627 1.00 32.15 H new ATOM 0 HG LEU A 112 18.475 -6.274 -6.268 1.00 43.33 H new ATOM 0 HD11 LEU A 112 16.557 -4.864 -5.637 1.00 4.24 H new ATOM 0 HD12 LEU A 112 17.309 -5.630 -4.218 1.00 4.24 H new ATOM 0 HD13 LEU A 112 17.614 -3.912 -4.568 1.00 4.24 H new ATOM 0 HD21 LEU A 112 17.918 -4.282 -7.610 1.00 53.33 H new ATOM 0 HD22 LEU A 112 19.030 -3.308 -6.618 1.00 53.33 H new ATOM 0 HD23 LEU A 112 19.664 -4.626 -7.633 1.00 53.33 H new ATOM 1801 N ALA A 113 21.014 -8.337 -4.071 1.00 73.42 N ATOM 1802 CA ALA A 113 21.147 -9.742 -4.437 1.00 71.00 C ATOM 1803 C ALA A 113 20.077 -10.590 -3.758 1.00 52.00 C ATOM 1804 O ALA A 113 19.650 -11.613 -4.293 1.00 71.14 O ATOM 1805 CB ALA A 113 22.534 -10.252 -4.077 1.00 4.03 C ATOM 0 H ALA A 113 21.873 -7.907 -3.728 1.00 73.42 H new ATOM 0 HA ALA A 113 21.010 -9.825 -5.515 1.00 71.00 H new ATOM 0 HB1 ALA A 113 22.619 -11.302 -4.356 1.00 4.03 H new ATOM 0 HB2 ALA A 113 23.285 -9.672 -4.613 1.00 4.03 H new ATOM 0 HB3 ALA A 113 22.693 -10.148 -3.004 1.00 4.03 H new ATOM 1811 N ARG A 114 19.648 -10.158 -2.576 1.00 70.54 N ATOM 1812 CA ARG A 114 18.629 -10.880 -1.824 1.00 12.34 C ATOM 1813 C ARG A 114 17.290 -10.849 -2.554 1.00 54.12 C ATOM 1814 O ARG A 114 16.691 -11.892 -2.821 1.00 25.11 O ATOM 1815 CB ARG A 114 18.474 -10.276 -0.427 1.00 13.05 C ATOM 1816 CG ARG A 114 19.548 -10.721 0.552 1.00 23.00 C ATOM 1817 CD ARG A 114 19.399 -10.027 1.897 1.00 70.11 C ATOM 1818 NE ARG A 114 20.434 -10.437 2.842 1.00 30.12 N ATOM 1819 CZ ARG A 114 20.388 -10.173 4.143 1.00 15.51 C ATOM 1820 NH1 ARG A 114 19.362 -9.502 4.651 1.00 62.45 N ATOM 1821 NH2 ARG A 114 21.368 -10.579 4.939 1.00 31.15 N ATOM 0 H ARG A 114 19.990 -9.313 -2.119 1.00 70.54 H new ATOM 0 HA ARG A 114 18.948 -11.918 -1.731 1.00 12.34 H new ATOM 0 HB2 ARG A 114 18.494 -9.189 -0.506 1.00 13.05 H new ATOM 0 HB3 ARG A 114 17.496 -10.548 -0.029 1.00 13.05 H new ATOM 0 HG2 ARG A 114 19.491 -11.801 0.690 1.00 23.00 H new ATOM 0 HG3 ARG A 114 20.532 -10.505 0.137 1.00 23.00 H new ATOM 0 HD2 ARG A 114 19.445 -8.947 1.755 1.00 70.11 H new ATOM 0 HD3 ARG A 114 18.417 -10.252 2.314 1.00 70.11 H new ATOM 0 HE ARG A 114 21.236 -10.955 2.483 1.00 30.12 H new ATOM 0 HH11 ARG A 114 18.606 -9.188 4.042 1.00 62.45 H new ATOM 0 HH12 ARG A 114 19.329 -9.301 5.650 1.00 62.45 H new ATOM 0 HH21 ARG A 114 22.159 -11.095 4.552 1.00 31.15 H new ATOM 0 HH22 ARG A 114 21.331 -10.375 5.938 1.00 31.15 H new ATOM 1835 N LEU A 115 16.824 -9.647 -2.875 1.00 0.33 N ATOM 1836 CA LEU A 115 15.555 -9.479 -3.574 1.00 71.23 C ATOM 1837 C LEU A 115 15.507 -10.343 -4.830 1.00 63.33 C ATOM 1838 O LEU A 115 14.673 -11.240 -4.946 1.00 72.14 O ATOM 1839 CB LEU A 115 15.344 -8.010 -3.944 1.00 12.01 C ATOM 1840 CG LEU A 115 13.894 -7.524 -3.961 1.00 41.13 C ATOM 1841 CD1 LEU A 115 13.819 -6.087 -4.453 1.00 52.23 C ATOM 1842 CD2 LEU A 115 13.037 -8.433 -4.830 1.00 42.35 C ATOM 0 H LEU A 115 17.306 -8.774 -2.662 1.00 0.33 H new ATOM 0 HA LEU A 115 14.755 -9.797 -2.905 1.00 71.23 H new ATOM 0 HB2 LEU A 115 15.904 -7.395 -3.240 1.00 12.01 H new ATOM 0 HB3 LEU A 115 15.775 -7.839 -4.930 1.00 12.01 H new ATOM 0 HG LEU A 115 13.507 -7.558 -2.943 1.00 41.13 H new ATOM 0 HD11 LEU A 115 12.780 -5.758 -4.458 1.00 52.23 H new ATOM 0 HD12 LEU A 115 14.399 -5.445 -3.791 1.00 52.23 H new ATOM 0 HD13 LEU A 115 14.224 -6.027 -5.463 1.00 52.23 H new ATOM 0 HD21 LEU A 115 12.008 -8.072 -4.830 1.00 42.35 H new ATOM 0 HD22 LEU A 115 13.423 -8.431 -5.849 1.00 42.35 H new ATOM 0 HD23 LEU A 115 13.065 -9.448 -4.433 1.00 42.35 H new ATOM 1854 N GLU A 116 16.410 -10.068 -5.767 1.00 11.33 N ATOM 1855 CA GLU A 116 16.471 -10.822 -7.013 1.00 52.54 C ATOM 1856 C GLU A 116 17.138 -12.177 -6.798 1.00 11.14 C ATOM 1857 O GLU A 116 16.543 -13.221 -7.062 1.00 64.25 O ATOM 1858 CB GLU A 116 17.233 -10.029 -8.078 1.00 21.35 C ATOM 1859 CG GLU A 116 16.628 -10.137 -9.467 1.00 35.11 C ATOM 1860 CD GLU A 116 17.623 -10.626 -10.501 1.00 1.01 C ATOM 1861 OE1 GLU A 116 17.948 -9.850 -11.424 1.00 74.13 O ATOM 1862 OE2 GLU A 116 18.077 -11.783 -10.387 1.00 63.53 O ATOM 0 H GLU A 116 17.108 -9.329 -5.686 1.00 11.33 H new ATOM 0 HA GLU A 116 15.450 -10.990 -7.356 1.00 52.54 H new ATOM 0 HB2 GLU A 116 17.263 -8.980 -7.785 1.00 21.35 H new ATOM 0 HB3 GLU A 116 18.264 -10.380 -8.112 1.00 21.35 H new ATOM 0 HG2 GLU A 116 15.777 -10.818 -9.437 1.00 35.11 H new ATOM 0 HG3 GLU A 116 16.245 -9.162 -9.769 1.00 35.11 H new