USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=18 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 79 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 80 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 68 THR OG1 : rot -89:sc= 0.234 USER MOD Set 2.2: A 69 ASN : amide:sc= -1.53 K(o=-1.3,f=-2) USER MOD Single : A 12 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.016) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 34:sc= 0.438 USER MOD Single : A 24 THR OG1 : rot -94:sc= 0.529 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.522 X(o=-0.52,f=-0.26) USER MOD Single : A 30 SER OG : rot -121:sc= 0.278 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0975 USER MOD Single : A 36 HIS : no HE2:sc= 0.335 K(o=0.33,f=-1.5) USER MOD Single : A 39 SER OG : rot 160:sc= -0.715 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+ 154:sc= -0.0825 (180deg=-1.16) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 130:sc= -0.676 USER MOD Single : A 66 THR OG1 : rot -124:sc= 1.3 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.15) USER MOD Single : A 83 THR OG1 : rot -59:sc= 0.805 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 76:sc= 0.848 USER MOD ----------------------------------------------------------------- ATOM 168 N HIS A 12 10.465 10.322 -9.697 1.00 73.11 N ATOM 169 CA HIS A 12 9.740 11.468 -9.159 1.00 23.21 C ATOM 170 C HIS A 12 10.492 12.082 -7.982 1.00 22.22 C ATOM 171 O HIS A 12 10.867 11.384 -7.039 1.00 63.05 O ATOM 172 CB HIS A 12 8.336 11.050 -8.720 1.00 44.34 C ATOM 173 CG HIS A 12 7.262 11.462 -9.679 1.00 41.22 C ATOM 174 ND1 HIS A 12 5.956 11.685 -9.296 1.00 43.11 N ATOM 175 CD2 HIS A 12 7.306 11.693 -11.012 1.00 42.42 C ATOM 176 CE1 HIS A 12 5.243 12.034 -10.352 1.00 64.22 C ATOM 177 NE2 HIS A 12 6.039 12.047 -11.406 1.00 61.23 N ATOM 0 HA HIS A 12 9.658 12.217 -9.946 1.00 23.21 H new ATOM 0 HB2 HIS A 12 8.309 9.967 -8.600 1.00 44.34 H new ATOM 0 HB3 HIS A 12 8.125 11.484 -7.743 1.00 44.34 H new ATOM 0 HD2 HIS A 12 8.176 11.614 -11.647 1.00 42.42 H new ATOM 0 HE1 HIS A 12 4.189 12.269 -10.353 1.00 64.22 H new ATOM 0 HE2 HIS A 12 5.758 12.282 -12.358 1.00 61.23 H new ATOM 185 N VAL A 13 10.710 13.392 -8.043 1.00 72.31 N ATOM 186 CA VAL A 13 11.417 14.100 -6.982 1.00 74.25 C ATOM 187 C VAL A 13 10.538 14.257 -5.747 1.00 11.33 C ATOM 188 O VAL A 13 9.444 14.818 -5.818 1.00 40.30 O ATOM 189 CB VAL A 13 11.881 15.492 -7.450 1.00 12.12 C ATOM 190 CG1 VAL A 13 10.702 16.303 -7.967 1.00 31.45 C ATOM 191 CG2 VAL A 13 12.587 16.225 -6.319 1.00 65.33 C ATOM 0 H VAL A 13 10.407 13.985 -8.816 1.00 72.31 H new ATOM 0 HA VAL A 13 12.291 13.501 -6.728 1.00 74.25 H new ATOM 0 HB VAL A 13 12.589 15.364 -8.269 1.00 12.12 H new ATOM 0 HG11 VAL A 13 11.050 17.283 -8.293 1.00 31.45 H new ATOM 0 HG12 VAL A 13 10.243 15.783 -8.808 1.00 31.45 H new ATOM 0 HG13 VAL A 13 9.967 16.425 -7.171 1.00 31.45 H new ATOM 0 HG21 VAL A 13 12.908 17.207 -6.667 1.00 65.33 H new ATOM 0 HG22 VAL A 13 11.902 16.344 -5.479 1.00 65.33 H new ATOM 0 HG23 VAL A 13 13.457 15.650 -6.000 1.00 65.33 H new ATOM 201 N ILE A 14 11.024 13.759 -4.615 1.00 13.33 N ATOM 202 CA ILE A 14 10.283 13.846 -3.362 1.00 51.34 C ATOM 203 C ILE A 14 10.900 14.883 -2.429 1.00 63.54 C ATOM 204 O ILE A 14 12.093 15.175 -2.511 1.00 4.41 O ATOM 205 CB ILE A 14 10.235 12.486 -2.641 1.00 51.50 C ATOM 206 CG1 ILE A 14 9.921 11.367 -3.636 1.00 42.42 C ATOM 207 CG2 ILE A 14 9.201 12.515 -1.525 1.00 4.21 C ATOM 208 CD1 ILE A 14 8.640 11.588 -4.409 1.00 73.21 C ATOM 0 H ILE A 14 11.927 13.291 -4.539 1.00 13.33 H new ATOM 0 HA ILE A 14 9.267 14.149 -3.616 1.00 51.34 H new ATOM 0 HB ILE A 14 11.212 12.290 -2.200 1.00 51.50 H new ATOM 0 HG12 ILE A 14 10.749 11.274 -4.339 1.00 42.42 H new ATOM 0 HG13 ILE A 14 9.853 10.422 -3.098 1.00 42.42 H new ATOM 0 HG21 ILE A 14 9.179 11.547 -1.025 1.00 4.21 H new ATOM 0 HG22 ILE A 14 9.464 13.290 -0.805 1.00 4.21 H new ATOM 0 HG23 ILE A 14 8.218 12.729 -1.945 1.00 4.21 H new ATOM 0 HD11 ILE A 14 8.481 10.756 -5.095 1.00 73.21 H new ATOM 0 HD12 ILE A 14 7.802 11.651 -3.715 1.00 73.21 H new ATOM 0 HD13 ILE A 14 8.712 12.517 -4.975 1.00 73.21 H new ATOM 220 N LYS A 15 10.080 15.434 -1.541 1.00 63.21 N ATOM 221 CA LYS A 15 10.545 16.436 -0.589 1.00 33.30 C ATOM 222 C LYS A 15 9.492 16.697 0.483 1.00 34.21 C ATOM 223 O LYS A 15 9.146 17.845 0.761 1.00 42.35 O ATOM 224 CB LYS A 15 10.884 17.740 -1.314 1.00 71.12 C ATOM 225 CG LYS A 15 9.806 18.195 -2.283 1.00 63.01 C ATOM 226 CD LYS A 15 9.592 19.698 -2.213 1.00 61.32 C ATOM 227 CE LYS A 15 8.828 20.209 -3.425 1.00 61.20 C ATOM 228 NZ LYS A 15 9.340 21.529 -3.887 1.00 71.42 N ATOM 0 H LYS A 15 9.090 15.204 -1.461 1.00 63.21 H new ATOM 0 HA LYS A 15 11.443 16.052 -0.106 1.00 33.30 H new ATOM 0 HB2 LYS A 15 11.051 18.524 -0.575 1.00 71.12 H new ATOM 0 HB3 LYS A 15 11.819 17.611 -1.859 1.00 71.12 H new ATOM 0 HG2 LYS A 15 10.085 17.913 -3.298 1.00 63.01 H new ATOM 0 HG3 LYS A 15 8.871 17.682 -2.056 1.00 63.01 H new ATOM 0 HD2 LYS A 15 9.044 19.947 -1.304 1.00 61.32 H new ATOM 0 HD3 LYS A 15 10.557 20.202 -2.151 1.00 61.32 H new ATOM 0 HE2 LYS A 15 8.907 19.485 -4.236 1.00 61.20 H new ATOM 0 HE3 LYS A 15 7.770 20.296 -3.177 1.00 61.20 H new ATOM 0 HZ1 LYS A 15 8.794 21.843 -4.714 1.00 71.42 H new ATOM 0 HZ2 LYS A 15 9.242 22.227 -3.122 1.00 71.42 H new ATOM 0 HZ3 LYS A 15 10.343 21.440 -4.148 1.00 71.42 H new ATOM 242 N SER A 16 8.986 15.624 1.083 1.00 10.14 N ATOM 243 CA SER A 16 7.970 15.738 2.124 1.00 65.33 C ATOM 244 C SER A 16 7.966 14.500 3.016 1.00 3.42 C ATOM 245 O SER A 16 8.350 13.411 2.589 1.00 75.43 O ATOM 246 CB SER A 16 6.588 15.934 1.498 1.00 64.54 C ATOM 247 OG SER A 16 6.307 17.309 1.303 1.00 34.34 O ATOM 0 H SER A 16 9.263 14.666 0.867 1.00 10.14 H new ATOM 0 HA SER A 16 8.209 16.606 2.738 1.00 65.33 H new ATOM 0 HB2 SER A 16 6.540 15.411 0.543 1.00 64.54 H new ATOM 0 HB3 SER A 16 5.828 15.492 2.142 1.00 64.54 H new ATOM 0 HG SER A 16 7.137 17.786 1.091 1.00 34.34 H new ATOM 253 N LEU A 17 7.530 14.677 4.259 1.00 64.43 N ATOM 254 CA LEU A 17 7.475 13.575 5.214 1.00 45.23 C ATOM 255 C LEU A 17 6.466 12.521 4.772 1.00 74.15 C ATOM 256 O LEU A 17 6.798 11.342 4.650 1.00 11.45 O ATOM 257 CB LEU A 17 7.109 14.097 6.604 1.00 41.41 C ATOM 258 CG LEU A 17 7.791 13.403 7.783 1.00 20.31 C ATOM 259 CD1 LEU A 17 9.298 13.598 7.719 1.00 12.31 C ATOM 260 CD2 LEU A 17 7.239 13.925 9.102 1.00 61.14 C ATOM 0 H LEU A 17 7.210 15.572 4.629 1.00 64.43 H new ATOM 0 HA LEU A 17 8.461 13.112 5.254 1.00 45.23 H new ATOM 0 HB2 LEU A 17 7.349 15.160 6.646 1.00 41.41 H new ATOM 0 HB3 LEU A 17 6.030 14.008 6.731 1.00 41.41 H new ATOM 0 HG LEU A 17 7.581 12.335 7.722 1.00 20.31 H new ATOM 0 HD11 LEU A 17 9.766 13.097 8.566 1.00 12.31 H new ATOM 0 HD12 LEU A 17 9.681 13.174 6.790 1.00 12.31 H new ATOM 0 HD13 LEU A 17 9.529 14.663 7.754 1.00 12.31 H new ATOM 0 HD21 LEU A 17 7.736 13.420 9.930 1.00 61.14 H new ATOM 0 HD22 LEU A 17 7.418 14.998 9.172 1.00 61.14 H new ATOM 0 HD23 LEU A 17 6.167 13.732 9.150 1.00 61.14 H new ATOM 272 N GLU A 18 5.232 12.955 4.530 1.00 24.41 N ATOM 273 CA GLU A 18 4.175 12.047 4.100 1.00 50.43 C ATOM 274 C GLU A 18 4.563 11.334 2.808 1.00 32.50 C ATOM 275 O GLU A 18 4.427 10.116 2.696 1.00 64.32 O ATOM 276 CB GLU A 18 2.866 12.813 3.899 1.00 52.54 C ATOM 277 CG GLU A 18 1.625 11.950 4.055 1.00 2.33 C ATOM 278 CD GLU A 18 0.344 12.762 4.042 1.00 24.23 C ATOM 279 OE1 GLU A 18 0.315 13.834 4.683 1.00 24.51 O ATOM 280 OE2 GLU A 18 -0.628 12.326 3.392 1.00 35.34 O ATOM 0 H GLU A 18 4.941 13.928 4.624 1.00 24.41 H new ATOM 0 HA GLU A 18 4.034 11.298 4.880 1.00 50.43 H new ATOM 0 HB2 GLU A 18 2.821 13.633 4.616 1.00 52.54 H new ATOM 0 HB3 GLU A 18 2.865 13.259 2.905 1.00 52.54 H new ATOM 0 HG2 GLU A 18 1.594 11.216 3.250 1.00 2.33 H new ATOM 0 HG3 GLU A 18 1.689 11.394 4.990 1.00 2.33 H new ATOM 287 N GLU A 19 5.045 12.102 1.836 1.00 21.40 N ATOM 288 CA GLU A 19 5.451 11.543 0.552 1.00 60.31 C ATOM 289 C GLU A 19 6.537 10.487 0.737 1.00 44.10 C ATOM 290 O GLU A 19 6.586 9.496 0.008 1.00 64.44 O ATOM 291 CB GLU A 19 5.954 12.651 -0.376 1.00 21.23 C ATOM 292 CG GLU A 19 6.030 12.235 -1.835 1.00 50.12 C ATOM 293 CD GLU A 19 4.661 12.039 -2.458 1.00 23.32 C ATOM 294 OE1 GLU A 19 3.738 12.805 -2.112 1.00 35.33 O ATOM 295 OE2 GLU A 19 4.514 11.120 -3.290 1.00 72.22 O ATOM 0 H GLU A 19 5.164 13.112 1.913 1.00 21.40 H new ATOM 0 HA GLU A 19 4.580 11.068 0.100 1.00 60.31 H new ATOM 0 HB2 GLU A 19 5.295 13.515 -0.287 1.00 21.23 H new ATOM 0 HB3 GLU A 19 6.943 12.969 -0.046 1.00 21.23 H new ATOM 0 HG2 GLU A 19 6.576 12.993 -2.397 1.00 50.12 H new ATOM 0 HG3 GLU A 19 6.598 11.308 -1.916 1.00 50.12 H new ATOM 302 N LEU A 20 7.407 10.707 1.717 1.00 51.32 N ATOM 303 CA LEU A 20 8.494 9.776 1.999 1.00 51.02 C ATOM 304 C LEU A 20 7.950 8.398 2.361 1.00 71.34 C ATOM 305 O LEU A 20 8.194 7.418 1.656 1.00 44.42 O ATOM 306 CB LEU A 20 9.365 10.308 3.138 1.00 41.21 C ATOM 307 CG LEU A 20 10.868 10.058 3.007 1.00 51.03 C ATOM 308 CD1 LEU A 20 11.484 11.022 2.004 1.00 30.34 C ATOM 309 CD2 LEU A 20 11.550 10.186 4.361 1.00 61.20 C ATOM 0 H LEU A 20 7.381 11.522 2.330 1.00 51.32 H new ATOM 0 HA LEU A 20 9.101 9.682 1.099 1.00 51.02 H new ATOM 0 HB2 LEU A 20 9.202 11.382 3.222 1.00 41.21 H new ATOM 0 HB3 LEU A 20 9.022 9.860 4.071 1.00 41.21 H new ATOM 0 HG LEU A 20 11.018 9.042 2.642 1.00 51.03 H new ATOM 0 HD11 LEU A 20 12.554 10.829 1.924 1.00 30.34 H new ATOM 0 HD12 LEU A 20 11.016 10.881 1.030 1.00 30.34 H new ATOM 0 HD13 LEU A 20 11.324 12.047 2.339 1.00 30.34 H new ATOM 0 HD21 LEU A 20 12.619 10.005 4.249 1.00 61.20 H new ATOM 0 HD22 LEU A 20 11.392 11.190 4.755 1.00 61.20 H new ATOM 0 HD23 LEU A 20 11.129 9.455 5.051 1.00 61.20 H new ATOM 321 N ARG A 21 7.210 8.330 3.462 1.00 33.13 N ATOM 322 CA ARG A 21 6.630 7.072 3.917 1.00 20.11 C ATOM 323 C ARG A 21 5.532 6.604 2.966 1.00 21.03 C ATOM 324 O ARG A 21 5.115 5.447 3.006 1.00 2.05 O ATOM 325 CB ARG A 21 6.064 7.228 5.330 1.00 72.23 C ATOM 326 CG ARG A 21 7.074 6.934 6.427 1.00 42.44 C ATOM 327 CD ARG A 21 6.400 6.796 7.783 1.00 50.34 C ATOM 328 NE ARG A 21 5.647 7.994 8.144 1.00 2.42 N ATOM 329 CZ ARG A 21 4.689 8.011 9.064 1.00 20.50 C ATOM 330 NH1 ARG A 21 4.369 6.899 9.712 1.00 11.12 N ATOM 331 NH2 ARG A 21 4.049 9.140 9.338 1.00 42.35 N ATOM 0 H ARG A 21 6.998 9.131 4.056 1.00 33.13 H new ATOM 0 HA ARG A 21 7.420 6.321 3.930 1.00 20.11 H new ATOM 0 HB2 ARG A 21 5.693 8.245 5.453 1.00 72.23 H new ATOM 0 HB3 ARG A 21 5.210 6.561 5.446 1.00 72.23 H new ATOM 0 HG2 ARG A 21 7.611 6.015 6.192 1.00 42.44 H new ATOM 0 HG3 ARG A 21 7.813 7.734 6.467 1.00 42.44 H new ATOM 0 HD2 ARG A 21 5.729 5.937 7.769 1.00 50.34 H new ATOM 0 HD3 ARG A 21 7.155 6.599 8.545 1.00 50.34 H new ATOM 0 HE ARG A 21 5.869 8.866 7.663 1.00 2.42 H new ATOM 0 HH11 ARG A 21 4.859 6.029 9.504 1.00 11.12 H new ATOM 0 HH12 ARG A 21 3.633 6.914 10.418 1.00 11.12 H new ATOM 0 HH21 ARG A 21 4.292 9.997 8.842 1.00 42.35 H new ATOM 0 HH22 ARG A 21 3.314 9.151 10.045 1.00 42.35 H new ATOM 345 N GLU A 22 5.069 7.512 2.113 1.00 72.12 N ATOM 346 CA GLU A 22 4.019 7.192 1.153 1.00 35.44 C ATOM 347 C GLU A 22 4.536 6.240 0.078 1.00 14.21 C ATOM 348 O GLU A 22 4.069 5.108 -0.040 1.00 21.41 O ATOM 349 CB GLU A 22 3.483 8.470 0.504 1.00 31.53 C ATOM 350 CG GLU A 22 2.538 8.212 -0.657 1.00 52.22 C ATOM 351 CD GLU A 22 1.351 7.354 -0.265 1.00 21.34 C ATOM 352 OE1 GLU A 22 0.989 7.354 0.931 1.00 41.03 O ATOM 353 OE2 GLU A 22 0.785 6.682 -1.152 1.00 31.23 O ATOM 0 H GLU A 22 5.404 8.474 2.067 1.00 72.12 H new ATOM 0 HA GLU A 22 3.209 6.699 1.691 1.00 35.44 H new ATOM 0 HB2 GLU A 22 2.965 9.061 1.259 1.00 31.53 H new ATOM 0 HB3 GLU A 22 4.323 9.069 0.152 1.00 31.53 H new ATOM 0 HG2 GLU A 22 2.180 9.165 -1.047 1.00 52.22 H new ATOM 0 HG3 GLU A 22 3.084 7.723 -1.463 1.00 52.22 H new ATOM 360 N ALA A 23 5.502 6.710 -0.704 1.00 21.20 N ATOM 361 CA ALA A 23 6.084 5.901 -1.768 1.00 51.53 C ATOM 362 C ALA A 23 6.796 4.678 -1.202 1.00 34.33 C ATOM 363 O ALA A 23 6.872 3.634 -1.851 1.00 42.23 O ATOM 364 CB ALA A 23 7.047 6.737 -2.599 1.00 73.21 C ATOM 0 H ALA A 23 5.898 7.646 -0.621 1.00 21.20 H new ATOM 0 HA ALA A 23 5.275 5.552 -2.409 1.00 51.53 H new ATOM 0 HB1 ALA A 23 7.475 6.121 -3.390 1.00 73.21 H new ATOM 0 HB2 ALA A 23 6.511 7.576 -3.042 1.00 73.21 H new ATOM 0 HB3 ALA A 23 7.846 7.114 -1.961 1.00 73.21 H new ATOM 370 N THR A 24 7.317 4.812 0.014 1.00 33.20 N ATOM 371 CA THR A 24 8.024 3.718 0.667 1.00 21.24 C ATOM 372 C THR A 24 7.092 2.925 1.576 1.00 75.00 C ATOM 373 O THR A 24 7.530 2.043 2.313 1.00 21.33 O ATOM 374 CB THR A 24 9.214 4.235 1.498 1.00 62.45 C ATOM 375 OG1 THR A 24 8.742 5.050 2.576 1.00 40.45 O ATOM 376 CG2 THR A 24 10.172 5.037 0.629 1.00 33.14 C ATOM 0 H THR A 24 7.262 5.668 0.566 1.00 33.20 H new ATOM 0 HA THR A 24 8.397 3.067 -0.124 1.00 21.24 H new ATOM 0 HB THR A 24 9.748 3.375 1.902 1.00 62.45 H new ATOM 0 HG1 THR A 24 8.746 5.991 2.301 1.00 40.45 H new ATOM 0 HG21 THR A 24 11.004 5.392 1.237 1.00 33.14 H new ATOM 0 HG22 THR A 24 10.552 4.404 -0.173 1.00 33.14 H new ATOM 0 HG23 THR A 24 9.647 5.890 0.200 1.00 33.14 H new ATOM 384 N ALA A 25 5.803 3.245 1.517 1.00 31.33 N ATOM 385 CA ALA A 25 4.808 2.560 2.333 1.00 20.13 C ATOM 386 C ALA A 25 4.923 1.047 2.184 1.00 21.43 C ATOM 387 O ALA A 25 4.680 0.300 3.132 1.00 73.31 O ATOM 388 CB ALA A 25 3.408 3.024 1.959 1.00 42.00 C ATOM 0 H ALA A 25 5.424 3.974 0.913 1.00 31.33 H new ATOM 0 HA ALA A 25 4.995 2.811 3.377 1.00 20.13 H new ATOM 0 HB1 ALA A 25 2.675 2.504 2.576 1.00 42.00 H new ATOM 0 HB2 ALA A 25 3.325 4.098 2.124 1.00 42.00 H new ATOM 0 HB3 ALA A 25 3.220 2.802 0.908 1.00 42.00 H new ATOM 394 N SER A 26 5.295 0.601 0.988 1.00 31.05 N ATOM 395 CA SER A 26 5.438 -0.824 0.714 1.00 32.13 C ATOM 396 C SER A 26 5.865 -1.059 -0.731 1.00 63.03 C ATOM 397 O SER A 26 5.454 -0.335 -1.637 1.00 3.01 O ATOM 398 CB SER A 26 4.122 -1.553 0.994 1.00 61.22 C ATOM 399 OG SER A 26 3.909 -2.597 0.060 1.00 64.51 O ATOM 0 H SER A 26 5.503 1.206 0.194 1.00 31.05 H new ATOM 0 HA SER A 26 6.212 -1.220 1.372 1.00 32.13 H new ATOM 0 HB2 SER A 26 4.137 -1.962 2.004 1.00 61.22 H new ATOM 0 HB3 SER A 26 3.294 -0.846 0.949 1.00 61.22 H new ATOM 0 HG SER A 26 3.063 -3.048 0.261 1.00 64.51 H new ATOM 405 N ASN A 27 6.694 -2.077 -0.939 1.00 20.34 N ATOM 406 CA ASN A 27 7.179 -2.409 -2.274 1.00 12.45 C ATOM 407 C ASN A 27 7.745 -1.174 -2.968 1.00 63.14 C ATOM 408 O ASN A 27 7.028 -0.459 -3.668 1.00 71.24 O ATOM 409 CB ASN A 27 6.050 -3.008 -3.115 1.00 30.15 C ATOM 410 CG ASN A 27 6.355 -2.975 -4.600 1.00 1.24 C ATOM 411 OD1 ASN A 27 5.515 -2.580 -5.408 1.00 43.25 O ATOM 412 ND2 ASN A 27 7.562 -3.391 -4.965 1.00 21.01 N ATOM 0 H ASN A 27 7.044 -2.687 -0.200 1.00 20.34 H new ATOM 0 HA ASN A 27 7.976 -3.145 -2.172 1.00 12.45 H new ATOM 0 HB2 ASN A 27 5.877 -4.039 -2.805 1.00 30.15 H new ATOM 0 HB3 ASN A 27 5.128 -2.459 -2.924 1.00 30.15 H new ATOM 0 HD21 ASN A 27 7.825 -3.392 -5.951 1.00 21.01 H new ATOM 0 HD22 ASN A 27 8.226 -3.710 -4.260 1.00 21.01 H new ATOM 419 N ARG A 28 9.037 -0.931 -2.770 1.00 53.34 N ATOM 420 CA ARG A 28 9.700 0.217 -3.377 1.00 54.33 C ATOM 421 C ARG A 28 11.185 0.235 -3.027 1.00 13.30 C ATOM 422 O ARG A 28 11.555 0.329 -1.856 1.00 61.03 O ATOM 423 CB ARG A 28 9.040 1.518 -2.915 1.00 33.54 C ATOM 424 CG ARG A 28 9.798 2.767 -3.331 1.00 41.22 C ATOM 425 CD ARG A 28 9.910 2.872 -4.844 1.00 44.31 C ATOM 426 NE ARG A 28 9.596 4.215 -5.324 1.00 52.13 N ATOM 427 CZ ARG A 28 9.563 4.547 -6.610 1.00 75.32 C ATOM 428 NH1 ARG A 28 9.823 3.638 -7.540 1.00 32.34 N ATOM 429 NH2 ARG A 28 9.268 5.790 -6.969 1.00 31.14 N ATOM 0 H ARG A 28 9.645 -1.514 -2.194 1.00 53.34 H new ATOM 0 HA ARG A 28 9.600 0.132 -4.459 1.00 54.33 H new ATOM 0 HB2 ARG A 28 8.029 1.566 -3.319 1.00 33.54 H new ATOM 0 HB3 ARG A 28 8.949 1.503 -1.829 1.00 33.54 H new ATOM 0 HG2 ARG A 28 9.290 3.649 -2.940 1.00 41.22 H new ATOM 0 HG3 ARG A 28 10.795 2.752 -2.891 1.00 41.22 H new ATOM 0 HD2 ARG A 28 10.921 2.604 -5.152 1.00 44.31 H new ATOM 0 HD3 ARG A 28 9.234 2.154 -5.308 1.00 44.31 H new ATOM 0 HE ARG A 28 9.391 4.938 -4.634 1.00 52.13 H new ATOM 0 HH11 ARG A 28 10.049 2.681 -7.269 1.00 32.34 H new ATOM 0 HH12 ARG A 28 9.797 3.896 -8.527 1.00 32.34 H new ATOM 0 HH21 ARG A 28 9.066 6.492 -6.257 1.00 31.14 H new ATOM 0 HH22 ARG A 28 9.243 6.043 -7.957 1.00 31.14 H new ATOM 443 N ILE A 29 12.029 0.145 -4.049 1.00 23.44 N ATOM 444 CA ILE A 29 13.473 0.151 -3.848 1.00 41.13 C ATOM 445 C ILE A 29 14.101 1.420 -4.415 1.00 50.00 C ATOM 446 O ILE A 29 14.565 1.440 -5.555 1.00 31.40 O ATOM 447 CB ILE A 29 14.138 -1.074 -4.504 1.00 11.14 C ATOM 448 CG1 ILE A 29 13.393 -2.353 -4.117 1.00 71.33 C ATOM 449 CG2 ILE A 29 15.601 -1.163 -4.097 1.00 22.22 C ATOM 450 CD1 ILE A 29 12.510 -2.895 -5.220 1.00 65.00 C ATOM 0 H ILE A 29 11.738 0.067 -5.024 1.00 23.44 H new ATOM 0 HA ILE A 29 13.642 0.113 -2.772 1.00 41.13 H new ATOM 0 HB ILE A 29 14.089 -0.960 -5.587 1.00 11.14 H new ATOM 0 HG12 ILE A 29 14.119 -3.116 -3.836 1.00 71.33 H new ATOM 0 HG13 ILE A 29 12.781 -2.155 -3.237 1.00 71.33 H new ATOM 0 HG21 ILE A 29 16.057 -2.033 -4.568 1.00 22.22 H new ATOM 0 HG22 ILE A 29 16.123 -0.261 -4.417 1.00 22.22 H new ATOM 0 HG23 ILE A 29 15.672 -1.258 -3.013 1.00 22.22 H new ATOM 0 HD11 ILE A 29 12.013 -3.802 -4.876 1.00 65.00 H new ATOM 0 HD12 ILE A 29 11.761 -2.149 -5.486 1.00 65.00 H new ATOM 0 HD13 ILE A 29 13.119 -3.125 -6.094 1.00 65.00 H new ATOM 462 N SER A 30 14.113 2.478 -3.610 1.00 65.23 N ATOM 463 CA SER A 30 14.683 3.752 -4.032 1.00 11.31 C ATOM 464 C SER A 30 15.880 4.126 -3.163 1.00 43.25 C ATOM 465 O SER A 30 15.990 3.692 -2.017 1.00 11.13 O ATOM 466 CB SER A 30 13.625 4.855 -3.964 1.00 12.23 C ATOM 467 OG SER A 30 12.350 4.363 -4.339 1.00 42.15 O ATOM 0 H SER A 30 13.735 2.478 -2.663 1.00 65.23 H new ATOM 0 HA SER A 30 15.023 3.647 -5.062 1.00 11.31 H new ATOM 0 HB2 SER A 30 13.580 5.258 -2.952 1.00 12.23 H new ATOM 0 HB3 SER A 30 13.909 5.677 -4.622 1.00 12.23 H new ATOM 0 HG SER A 30 12.020 4.866 -5.112 1.00 42.15 H new ATOM 473 N VAL A 31 16.777 4.935 -3.719 1.00 52.22 N ATOM 474 CA VAL A 31 17.966 5.370 -2.997 1.00 24.54 C ATOM 475 C VAL A 31 17.757 6.743 -2.368 1.00 71.33 C ATOM 476 O VAL A 31 17.873 7.768 -3.040 1.00 70.03 O ATOM 477 CB VAL A 31 19.197 5.423 -3.922 1.00 32.44 C ATOM 478 CG1 VAL A 31 20.477 5.507 -3.104 1.00 15.01 C ATOM 479 CG2 VAL A 31 19.222 4.213 -4.843 1.00 63.25 C ATOM 0 H VAL A 31 16.702 5.302 -4.668 1.00 52.22 H new ATOM 0 HA VAL A 31 18.143 4.637 -2.210 1.00 24.54 H new ATOM 0 HB VAL A 31 19.129 6.320 -4.538 1.00 32.44 H new ATOM 0 HG11 VAL A 31 21.336 5.544 -3.775 1.00 15.01 H new ATOM 0 HG12 VAL A 31 20.458 6.407 -2.490 1.00 15.01 H new ATOM 0 HG13 VAL A 31 20.556 4.630 -2.461 1.00 15.01 H new ATOM 0 HG21 VAL A 31 20.098 4.266 -5.490 1.00 63.25 H new ATOM 0 HG22 VAL A 31 19.266 3.302 -4.246 1.00 63.25 H new ATOM 0 HG23 VAL A 31 18.320 4.202 -5.454 1.00 63.25 H new ATOM 489 N ILE A 32 17.448 6.755 -1.076 1.00 4.00 N ATOM 490 CA ILE A 32 17.224 8.003 -0.356 1.00 65.35 C ATOM 491 C ILE A 32 18.542 8.715 -0.068 1.00 34.12 C ATOM 492 O ILE A 32 19.270 8.346 0.853 1.00 4.13 O ATOM 493 CB ILE A 32 16.483 7.761 0.971 1.00 15.54 C ATOM 494 CG1 ILE A 32 15.275 6.849 0.747 1.00 13.35 C ATOM 495 CG2 ILE A 32 16.048 9.085 1.583 1.00 34.21 C ATOM 496 CD1 ILE A 32 15.517 5.414 1.159 1.00 61.15 C ATOM 0 H ILE A 32 17.347 5.915 -0.506 1.00 4.00 H new ATOM 0 HA ILE A 32 16.607 8.632 -0.997 1.00 65.35 H new ATOM 0 HB ILE A 32 17.163 7.267 1.665 1.00 15.54 H new ATOM 0 HG12 ILE A 32 14.425 7.241 1.306 1.00 13.35 H new ATOM 0 HG13 ILE A 32 15.001 6.875 -0.308 1.00 13.35 H new ATOM 0 HG21 ILE A 32 15.525 8.898 2.521 1.00 34.21 H new ATOM 0 HG22 ILE A 32 16.925 9.703 1.773 1.00 34.21 H new ATOM 0 HG23 ILE A 32 15.382 9.603 0.893 1.00 34.21 H new ATOM 0 HD11 ILE A 32 14.619 4.825 0.972 1.00 61.15 H new ATOM 0 HD12 ILE A 32 16.346 5.005 0.582 1.00 61.15 H new ATOM 0 HD13 ILE A 32 15.761 5.376 2.221 1.00 61.15 H new ATOM 508 N VAL A 33 18.840 9.739 -0.861 1.00 4.24 N ATOM 509 CA VAL A 33 20.069 10.506 -0.689 1.00 15.01 C ATOM 510 C VAL A 33 19.778 11.888 -0.115 1.00 13.10 C ATOM 511 O VAL A 33 18.938 12.624 -0.635 1.00 24.03 O ATOM 512 CB VAL A 33 20.823 10.664 -2.023 1.00 14.34 C ATOM 513 CG1 VAL A 33 22.212 11.237 -1.786 1.00 54.21 C ATOM 514 CG2 VAL A 33 20.904 9.331 -2.750 1.00 33.42 C ATOM 0 H VAL A 33 18.248 10.057 -1.628 1.00 4.24 H new ATOM 0 HA VAL A 33 20.694 9.950 0.009 1.00 15.01 H new ATOM 0 HB VAL A 33 20.271 11.362 -2.653 1.00 14.34 H new ATOM 0 HG11 VAL A 33 22.730 11.342 -2.739 1.00 54.21 H new ATOM 0 HG12 VAL A 33 22.126 12.214 -1.310 1.00 54.21 H new ATOM 0 HG13 VAL A 33 22.777 10.566 -1.138 1.00 54.21 H new ATOM 0 HG21 VAL A 33 21.440 9.461 -3.690 1.00 33.42 H new ATOM 0 HG22 VAL A 33 21.433 8.609 -2.128 1.00 33.42 H new ATOM 0 HG23 VAL A 33 19.897 8.966 -2.954 1.00 33.42 H new ATOM 524 N PHE A 34 20.477 12.236 0.960 1.00 23.51 N ATOM 525 CA PHE A 34 20.294 13.530 1.606 1.00 41.10 C ATOM 526 C PHE A 34 21.177 14.592 0.956 1.00 31.34 C ATOM 527 O PHE A 34 22.399 14.450 0.898 1.00 31.21 O ATOM 528 CB PHE A 34 20.614 13.429 3.099 1.00 73.21 C ATOM 529 CG PHE A 34 20.765 14.763 3.771 1.00 1.24 C ATOM 530 CD1 PHE A 34 19.960 15.832 3.410 1.00 65.54 C ATOM 531 CD2 PHE A 34 21.713 14.949 4.765 1.00 14.42 C ATOM 532 CE1 PHE A 34 20.097 17.061 4.027 1.00 71.23 C ATOM 533 CE2 PHE A 34 21.853 16.176 5.386 1.00 3.11 C ATOM 534 CZ PHE A 34 21.045 17.233 5.016 1.00 44.44 C ATOM 0 H PHE A 34 21.176 11.639 1.402 1.00 23.51 H new ATOM 0 HA PHE A 34 19.252 13.824 1.484 1.00 41.10 H new ATOM 0 HB2 PHE A 34 19.821 12.869 3.595 1.00 73.21 H new ATOM 0 HB3 PHE A 34 21.535 12.860 3.227 1.00 73.21 H new ATOM 0 HD1 PHE A 34 19.217 15.703 2.637 1.00 65.54 H new ATOM 0 HD2 PHE A 34 22.349 14.127 5.057 1.00 14.42 H new ATOM 0 HE1 PHE A 34 19.463 17.886 3.736 1.00 71.23 H new ATOM 0 HE2 PHE A 34 22.594 16.308 6.160 1.00 3.11 H new ATOM 0 HZ PHE A 34 21.154 18.193 5.499 1.00 44.44 H new ATOM 544 N THR A 35 20.549 15.657 0.468 1.00 61.12 N ATOM 545 CA THR A 35 21.275 16.742 -0.179 1.00 45.14 C ATOM 546 C THR A 35 20.390 17.971 -0.351 1.00 10.02 C ATOM 547 O THR A 35 19.250 17.869 -0.804 1.00 75.41 O ATOM 548 CB THR A 35 21.813 16.315 -1.558 1.00 62.50 C ATOM 549 OG1 THR A 35 21.214 15.076 -1.955 1.00 52.21 O ATOM 550 CG2 THR A 35 23.327 16.164 -1.526 1.00 34.24 C ATOM 0 H THR A 35 19.539 15.791 0.509 1.00 61.12 H new ATOM 0 HA THR A 35 22.115 16.990 0.470 1.00 45.14 H new ATOM 0 HB THR A 35 21.556 17.091 -2.279 1.00 62.50 H new ATOM 0 HG1 THR A 35 21.560 14.812 -2.833 1.00 52.21 H new ATOM 0 HG21 THR A 35 23.683 15.862 -2.511 1.00 34.24 H new ATOM 0 HG22 THR A 35 23.782 17.116 -1.252 1.00 34.24 H new ATOM 0 HG23 THR A 35 23.602 15.406 -0.793 1.00 34.24 H new ATOM 558 N HIS A 36 20.922 19.133 0.014 1.00 52.53 N ATOM 559 CA HIS A 36 20.179 20.384 -0.101 1.00 61.44 C ATOM 560 C HIS A 36 20.523 21.102 -1.403 1.00 35.31 C ATOM 561 O HIS A 36 21.642 21.019 -1.909 1.00 52.21 O ATOM 562 CB HIS A 36 20.481 21.292 1.091 1.00 55.01 C ATOM 563 CG HIS A 36 21.894 21.786 1.125 1.00 51.40 C ATOM 564 ND1 HIS A 36 22.296 22.960 0.522 1.00 74.52 N ATOM 565 CD2 HIS A 36 23.002 21.260 1.696 1.00 24.02 C ATOM 566 CE1 HIS A 36 23.590 23.132 0.719 1.00 4.51 C ATOM 567 NE2 HIS A 36 24.043 22.115 1.430 1.00 42.25 N ATOM 0 H HIS A 36 21.864 19.235 0.392 1.00 52.53 H new ATOM 0 HA HIS A 36 19.115 20.147 -0.107 1.00 61.44 H new ATOM 0 HB2 HIS A 36 19.806 22.148 1.065 1.00 55.01 H new ATOM 0 HB3 HIS A 36 20.272 20.749 2.013 1.00 55.01 H new ATOM 0 HD1 HIS A 36 21.688 23.596 0.005 1.00 74.52 H new ATOM 0 HD2 HIS A 36 23.057 20.339 2.257 1.00 24.02 H new ATOM 0 HE1 HIS A 36 24.178 23.963 0.360 1.00 4.51 H new ATOM 575 N PRO A 37 19.538 21.823 -1.959 1.00 71.02 N ATOM 576 CA PRO A 37 19.712 22.569 -3.209 1.00 1.21 C ATOM 577 C PRO A 37 20.633 23.773 -3.042 1.00 14.35 C ATOM 578 O PRO A 37 21.191 23.995 -1.967 1.00 12.31 O ATOM 579 CB PRO A 37 18.292 23.025 -3.551 1.00 15.44 C ATOM 580 CG PRO A 37 17.582 23.068 -2.241 1.00 42.42 C ATOM 581 CD PRO A 37 18.179 21.966 -1.411 1.00 32.03 C ATOM 0 HA PRO A 37 20.177 21.961 -3.985 1.00 1.21 H new ATOM 0 HB2 PRO A 37 18.295 24.003 -4.032 1.00 15.44 H new ATOM 0 HB3 PRO A 37 17.809 22.333 -4.241 1.00 15.44 H new ATOM 0 HG2 PRO A 37 17.713 24.036 -1.757 1.00 42.42 H new ATOM 0 HG3 PRO A 37 16.510 22.920 -2.373 1.00 42.42 H new ATOM 0 HD2 PRO A 37 18.198 22.226 -0.353 1.00 32.03 H new ATOM 0 HD3 PRO A 37 17.610 21.041 -1.502 1.00 32.03 H new ATOM 589 N ASP A 38 20.786 24.548 -4.110 1.00 21.40 N ATOM 590 CA ASP A 38 21.638 25.731 -4.081 1.00 21.23 C ATOM 591 C ASP A 38 23.040 25.379 -3.592 1.00 14.35 C ATOM 592 O ASP A 38 23.299 25.351 -2.389 1.00 2.44 O ATOM 593 CB ASP A 38 21.025 26.805 -3.181 1.00 31.11 C ATOM 594 CG ASP A 38 22.056 27.796 -2.678 1.00 14.41 C ATOM 595 OD1 ASP A 38 22.301 27.828 -1.454 1.00 22.34 O ATOM 596 OD2 ASP A 38 22.617 28.540 -3.509 1.00 3.45 O ATOM 0 H ASP A 38 20.331 24.378 -5.007 1.00 21.40 H new ATOM 0 HA ASP A 38 21.714 26.119 -5.097 1.00 21.23 H new ATOM 0 HB2 ASP A 38 20.251 27.339 -3.733 1.00 31.11 H new ATOM 0 HB3 ASP A 38 20.539 26.328 -2.330 1.00 31.11 H new ATOM 601 N SER A 39 23.939 25.111 -4.532 1.00 62.54 N ATOM 602 CA SER A 39 25.313 24.756 -4.197 1.00 63.31 C ATOM 603 C SER A 39 26.155 24.592 -5.459 1.00 4.12 C ATOM 604 O SER A 39 26.251 23.500 -6.019 1.00 32.11 O ATOM 605 CB SER A 39 25.344 23.463 -3.379 1.00 14.41 C ATOM 606 OG SER A 39 26.489 23.414 -2.546 1.00 62.44 O ATOM 0 H SER A 39 23.741 25.133 -5.532 1.00 62.54 H new ATOM 0 HA SER A 39 25.736 25.565 -3.601 1.00 63.31 H new ATOM 0 HB2 SER A 39 24.443 23.393 -2.769 1.00 14.41 H new ATOM 0 HB3 SER A 39 25.342 22.604 -4.050 1.00 14.41 H new ATOM 0 HG SER A 39 26.339 22.772 -1.821 1.00 62.44 H new ATOM 612 N LYS A 40 26.765 25.686 -5.901 1.00 43.53 N ATOM 613 CA LYS A 40 27.601 25.667 -7.096 1.00 2.12 C ATOM 614 C LYS A 40 28.927 24.964 -6.821 1.00 54.01 C ATOM 615 O LYS A 40 29.390 24.156 -7.626 1.00 33.31 O ATOM 616 CB LYS A 40 27.860 27.094 -7.585 1.00 64.22 C ATOM 617 CG LYS A 40 28.492 27.992 -6.535 1.00 70.44 C ATOM 618 CD LYS A 40 27.980 29.418 -6.641 1.00 45.50 C ATOM 619 CE LYS A 40 28.336 30.231 -5.406 1.00 3.05 C ATOM 620 NZ LYS A 40 27.830 31.629 -5.496 1.00 64.32 N ATOM 0 H LYS A 40 26.696 26.598 -5.449 1.00 43.53 H new ATOM 0 HA LYS A 40 27.071 25.114 -7.871 1.00 2.12 H new ATOM 0 HB2 LYS A 40 28.511 27.057 -8.459 1.00 64.22 H new ATOM 0 HB3 LYS A 40 26.917 27.535 -7.908 1.00 64.22 H new ATOM 0 HG2 LYS A 40 28.276 27.600 -5.541 1.00 70.44 H new ATOM 0 HG3 LYS A 40 29.576 27.984 -6.652 1.00 70.44 H new ATOM 0 HD2 LYS A 40 28.404 29.893 -7.525 1.00 45.50 H new ATOM 0 HD3 LYS A 40 26.898 29.408 -6.772 1.00 45.50 H new ATOM 0 HE2 LYS A 40 27.918 29.750 -4.522 1.00 3.05 H new ATOM 0 HE3 LYS A 40 29.419 30.244 -5.280 1.00 3.05 H new ATOM 0 HZ1 LYS A 40 28.093 32.150 -4.635 1.00 64.32 H new ATOM 0 HZ2 LYS A 40 28.248 32.097 -6.325 1.00 64.32 H new ATOM 0 HZ3 LYS A 40 26.794 31.618 -5.591 1.00 64.32 H new ATOM 634 N ARG A 41 29.531 25.276 -5.680 1.00 3.15 N ATOM 635 CA ARG A 41 30.803 24.674 -5.299 1.00 63.31 C ATOM 636 C ARG A 41 30.627 23.195 -4.967 1.00 33.11 C ATOM 637 O ARG A 41 31.589 22.427 -4.977 1.00 13.05 O ATOM 638 CB ARG A 41 31.401 25.409 -4.099 1.00 5.25 C ATOM 639 CG ARG A 41 30.571 25.284 -2.832 1.00 30.53 C ATOM 640 CD ARG A 41 29.680 26.498 -2.627 1.00 54.52 C ATOM 641 NE ARG A 41 29.928 27.149 -1.344 1.00 15.44 N ATOM 642 CZ ARG A 41 30.933 27.991 -1.128 1.00 73.32 C ATOM 643 NH1 ARG A 41 31.779 28.282 -2.106 1.00 70.14 N ATOM 644 NH2 ARG A 41 31.092 28.543 0.068 1.00 45.14 N ATOM 0 H ARG A 41 29.160 25.942 -5.003 1.00 3.15 H new ATOM 0 HA ARG A 41 31.484 24.760 -6.145 1.00 63.31 H new ATOM 0 HB2 ARG A 41 32.401 25.021 -3.908 1.00 5.25 H new ATOM 0 HB3 ARG A 41 31.511 26.464 -4.348 1.00 5.25 H new ATOM 0 HG2 ARG A 41 29.956 24.385 -2.886 1.00 30.53 H new ATOM 0 HG3 ARG A 41 31.232 25.167 -1.973 1.00 30.53 H new ATOM 0 HD2 ARG A 41 29.848 27.211 -3.434 1.00 54.52 H new ATOM 0 HD3 ARG A 41 28.635 26.194 -2.683 1.00 54.52 H new ATOM 0 HE ARG A 41 29.295 26.946 -0.571 1.00 15.44 H new ATOM 0 HH11 ARG A 41 31.659 27.859 -3.027 1.00 70.14 H new ATOM 0 HH12 ARG A 41 32.550 28.929 -1.938 1.00 70.14 H new ATOM 0 HH21 ARG A 41 30.443 28.321 0.823 1.00 45.14 H new ATOM 0 HH22 ARG A 41 31.864 29.189 0.233 1.00 45.14 H new ATOM 658 N SER A 42 29.391 22.803 -4.673 1.00 0.21 N ATOM 659 CA SER A 42 29.089 21.418 -4.333 1.00 72.44 C ATOM 660 C SER A 42 28.146 20.800 -5.362 1.00 21.54 C ATOM 661 O SER A 42 27.884 21.385 -6.413 1.00 24.23 O ATOM 662 CB SER A 42 28.465 21.337 -2.939 1.00 33.51 C ATOM 663 OG SER A 42 28.983 20.237 -2.211 1.00 63.43 O ATOM 0 H SER A 42 28.583 23.425 -4.664 1.00 0.21 H new ATOM 0 HA SER A 42 30.023 20.856 -4.338 1.00 72.44 H new ATOM 0 HB2 SER A 42 28.661 22.261 -2.395 1.00 33.51 H new ATOM 0 HB3 SER A 42 27.383 21.242 -3.027 1.00 33.51 H new ATOM 0 HG SER A 42 28.569 20.209 -1.323 1.00 63.43 H new ATOM 669 N LYS A 43 27.638 19.612 -5.051 1.00 25.35 N ATOM 670 CA LYS A 43 26.724 18.912 -5.945 1.00 14.23 C ATOM 671 C LYS A 43 27.412 18.559 -7.260 1.00 15.15 C ATOM 672 O LYS A 43 26.753 18.235 -8.247 1.00 32.31 O ATOM 673 CB LYS A 43 25.488 19.772 -6.218 1.00 51.44 C ATOM 674 CG LYS A 43 24.245 19.303 -5.483 1.00 33.31 C ATOM 675 CD LYS A 43 23.428 20.474 -4.963 1.00 42.24 C ATOM 676 CE LYS A 43 22.269 20.801 -5.892 1.00 73.20 C ATOM 677 NZ LYS A 43 22.355 22.191 -6.419 1.00 34.02 N ATOM 0 H LYS A 43 27.844 19.114 -4.185 1.00 25.35 H new ATOM 0 HA LYS A 43 26.416 17.987 -5.458 1.00 14.23 H new ATOM 0 HB2 LYS A 43 25.702 20.802 -5.932 1.00 51.44 H new ATOM 0 HB3 LYS A 43 25.287 19.774 -7.289 1.00 51.44 H new ATOM 0 HG2 LYS A 43 23.632 18.699 -6.152 1.00 33.31 H new ATOM 0 HG3 LYS A 43 24.534 18.662 -4.650 1.00 33.31 H new ATOM 0 HD2 LYS A 43 23.045 20.239 -3.970 1.00 42.24 H new ATOM 0 HD3 LYS A 43 24.070 21.349 -4.858 1.00 42.24 H new ATOM 0 HE2 LYS A 43 22.261 20.097 -6.724 1.00 73.20 H new ATOM 0 HE3 LYS A 43 21.328 20.673 -5.357 1.00 73.20 H new ATOM 0 HZ1 LYS A 43 21.547 22.374 -7.048 1.00 34.02 H new ATOM 0 HZ2 LYS A 43 22.337 22.864 -5.627 1.00 34.02 H new ATOM 0 HZ3 LYS A 43 23.241 22.306 -6.951 1.00 34.02 H new ATOM 691 N GLU A 44 28.739 18.623 -7.263 1.00 44.34 N ATOM 692 CA GLU A 44 29.515 18.309 -8.458 1.00 1.34 C ATOM 693 C GLU A 44 29.546 16.804 -8.706 1.00 22.00 C ATOM 694 O GLU A 44 29.416 16.349 -9.843 1.00 4.31 O ATOM 695 CB GLU A 44 30.942 18.844 -8.321 1.00 2.30 C ATOM 696 CG GLU A 44 31.687 18.292 -7.117 1.00 73.32 C ATOM 697 CD GLU A 44 33.045 18.937 -6.925 1.00 3.22 C ATOM 698 OE1 GLU A 44 34.027 18.438 -7.514 1.00 1.31 O ATOM 699 OE2 GLU A 44 33.127 19.940 -6.186 1.00 10.23 O ATOM 0 H GLU A 44 29.299 18.889 -6.453 1.00 44.34 H new ATOM 0 HA GLU A 44 29.034 18.790 -9.310 1.00 1.34 H new ATOM 0 HB2 GLU A 44 31.500 18.601 -9.225 1.00 2.30 H new ATOM 0 HB3 GLU A 44 30.908 19.931 -8.249 1.00 2.30 H new ATOM 0 HG2 GLU A 44 31.086 18.446 -6.221 1.00 73.32 H new ATOM 0 HG3 GLU A 44 31.814 17.216 -7.235 1.00 73.32 H new ATOM 706 N ILE A 45 29.720 16.037 -7.635 1.00 14.11 N ATOM 707 CA ILE A 45 29.767 14.584 -7.736 1.00 63.22 C ATOM 708 C ILE A 45 28.413 14.017 -8.147 1.00 32.40 C ATOM 709 O ILE A 45 28.303 12.847 -8.516 1.00 14.14 O ATOM 710 CB ILE A 45 30.198 13.941 -6.405 1.00 22.52 C ATOM 711 CG1 ILE A 45 29.250 14.360 -5.280 1.00 12.31 C ATOM 712 CG2 ILE A 45 31.631 14.327 -6.069 1.00 51.01 C ATOM 713 CD1 ILE A 45 28.025 13.480 -5.162 1.00 25.13 C ATOM 0 H ILE A 45 29.831 16.398 -6.687 1.00 14.11 H new ATOM 0 HA ILE A 45 30.505 14.345 -8.501 1.00 63.22 H new ATOM 0 HB ILE A 45 30.150 12.857 -6.510 1.00 22.52 H new ATOM 0 HG12 ILE A 45 29.792 14.343 -4.334 1.00 12.31 H new ATOM 0 HG13 ILE A 45 28.933 15.389 -5.448 1.00 12.31 H new ATOM 0 HG21 ILE A 45 31.921 13.865 -5.125 1.00 51.01 H new ATOM 0 HG22 ILE A 45 32.296 13.983 -6.861 1.00 51.01 H new ATOM 0 HG23 ILE A 45 31.704 15.411 -5.979 1.00 51.01 H new ATOM 0 HD11 ILE A 45 27.399 13.836 -4.344 1.00 25.13 H new ATOM 0 HD12 ILE A 45 27.460 13.516 -6.094 1.00 25.13 H new ATOM 0 HD13 ILE A 45 28.332 12.453 -4.963 1.00 25.13 H new ATOM 725 N LYS A 46 27.383 14.854 -8.083 1.00 31.34 N ATOM 726 CA LYS A 46 26.035 14.438 -8.451 1.00 14.44 C ATOM 727 C LYS A 46 26.036 13.710 -9.791 1.00 3.30 C ATOM 728 O LYS A 46 25.394 12.672 -9.944 1.00 13.22 O ATOM 729 CB LYS A 46 25.106 15.653 -8.519 1.00 34.41 C ATOM 730 CG LYS A 46 24.761 16.232 -7.158 1.00 34.12 C ATOM 731 CD LYS A 46 23.877 15.289 -6.358 1.00 52.24 C ATOM 732 CE LYS A 46 24.229 15.316 -4.879 1.00 32.51 C ATOM 733 NZ LYS A 46 24.779 14.011 -4.416 1.00 53.23 N ATOM 0 H LYS A 46 27.456 15.825 -7.780 1.00 31.34 H new ATOM 0 HA LYS A 46 25.672 13.752 -7.686 1.00 14.44 H new ATOM 0 HB2 LYS A 46 25.578 16.427 -9.125 1.00 34.41 H new ATOM 0 HB3 LYS A 46 24.185 15.368 -9.027 1.00 34.41 H new ATOM 0 HG2 LYS A 46 25.678 16.431 -6.603 1.00 34.12 H new ATOM 0 HG3 LYS A 46 24.253 17.188 -7.286 1.00 34.12 H new ATOM 0 HD2 LYS A 46 22.832 15.569 -6.490 1.00 52.24 H new ATOM 0 HD3 LYS A 46 23.986 14.274 -6.741 1.00 52.24 H new ATOM 0 HE2 LYS A 46 24.959 16.104 -4.694 1.00 32.51 H new ATOM 0 HE3 LYS A 46 23.340 15.562 -4.298 1.00 32.51 H new ATOM 0 HZ1 LYS A 46 25.394 14.166 -3.591 1.00 53.23 H new ATOM 0 HZ2 LYS A 46 23.997 13.379 -4.151 1.00 53.23 H new ATOM 0 HZ3 LYS A 46 25.331 13.576 -5.182 1.00 53.23 H new ATOM 747 N GLU A 47 26.764 14.261 -10.758 1.00 15.32 N ATOM 748 CA GLU A 47 26.848 13.663 -12.085 1.00 24.44 C ATOM 749 C GLU A 47 27.188 12.178 -11.991 1.00 35.32 C ATOM 750 O GLU A 47 26.669 11.361 -12.752 1.00 71.03 O ATOM 751 CB GLU A 47 27.901 14.385 -12.928 1.00 52.02 C ATOM 752 CG GLU A 47 28.065 13.806 -14.323 1.00 62.23 C ATOM 753 CD GLU A 47 29.247 12.862 -14.428 1.00 4.04 C ATOM 754 OE1 GLU A 47 29.030 11.671 -14.734 1.00 34.12 O ATOM 755 OE2 GLU A 47 30.390 13.314 -14.203 1.00 34.20 O ATOM 0 H GLU A 47 27.303 15.120 -10.647 1.00 15.32 H new ATOM 0 HA GLU A 47 25.875 13.767 -12.565 1.00 24.44 H new ATOM 0 HB2 GLU A 47 27.629 15.437 -13.010 1.00 52.02 H new ATOM 0 HB3 GLU A 47 28.860 14.343 -12.411 1.00 52.02 H new ATOM 0 HG2 GLU A 47 27.155 13.275 -14.601 1.00 62.23 H new ATOM 0 HG3 GLU A 47 28.190 14.620 -15.038 1.00 62.23 H new ATOM 762 N LYS A 48 28.063 11.835 -11.051 1.00 55.04 N ATOM 763 CA LYS A 48 28.472 10.449 -10.856 1.00 2.55 C ATOM 764 C LYS A 48 27.259 9.545 -10.664 1.00 53.24 C ATOM 765 O LYS A 48 27.174 8.469 -11.257 1.00 63.14 O ATOM 766 CB LYS A 48 29.401 10.337 -9.644 1.00 40.15 C ATOM 767 CG LYS A 48 30.538 11.344 -9.654 1.00 40.15 C ATOM 768 CD LYS A 48 31.893 10.656 -9.622 1.00 15.24 C ATOM 769 CE LYS A 48 32.394 10.345 -11.023 1.00 73.25 C ATOM 770 NZ LYS A 48 33.571 11.180 -11.390 1.00 24.54 N ATOM 0 H LYS A 48 28.502 12.498 -10.412 1.00 55.04 H new ATOM 0 HA LYS A 48 29.007 10.125 -11.749 1.00 2.55 H new ATOM 0 HB2 LYS A 48 28.816 10.472 -8.734 1.00 40.15 H new ATOM 0 HB3 LYS A 48 29.818 9.331 -9.608 1.00 40.15 H new ATOM 0 HG2 LYS A 48 30.466 11.966 -10.546 1.00 40.15 H new ATOM 0 HG3 LYS A 48 30.445 12.007 -8.794 1.00 40.15 H new ATOM 0 HD2 LYS A 48 32.614 11.294 -9.110 1.00 15.24 H new ATOM 0 HD3 LYS A 48 31.820 9.733 -9.047 1.00 15.24 H new ATOM 0 HE2 LYS A 48 32.663 9.291 -11.087 1.00 73.25 H new ATOM 0 HE3 LYS A 48 31.591 10.513 -11.741 1.00 73.25 H new ATOM 0 HZ1 LYS A 48 33.882 10.938 -12.352 1.00 24.54 H new ATOM 0 HZ2 LYS A 48 33.308 12.186 -11.354 1.00 24.54 H new ATOM 0 HZ3 LYS A 48 34.346 11.001 -10.720 1.00 24.54 H new ATOM 784 N LEU A 49 26.321 9.989 -9.835 1.00 32.11 N ATOM 785 CA LEU A 49 25.110 9.220 -9.567 1.00 4.10 C ATOM 786 C LEU A 49 24.149 9.289 -10.749 1.00 15.42 C ATOM 787 O LEU A 49 23.408 8.343 -11.017 1.00 13.21 O ATOM 788 CB LEU A 49 24.422 9.739 -8.303 1.00 40.24 C ATOM 789 CG LEU A 49 23.286 8.875 -7.755 1.00 54.51 C ATOM 790 CD1 LEU A 49 23.831 7.577 -7.181 1.00 1.32 C ATOM 791 CD2 LEU A 49 22.497 9.638 -6.700 1.00 45.01 C ATOM 0 H LEU A 49 26.375 10.877 -9.337 1.00 32.11 H new ATOM 0 HA LEU A 49 25.396 8.179 -9.416 1.00 4.10 H new ATOM 0 HB2 LEU A 49 25.175 9.851 -7.523 1.00 40.24 H new ATOM 0 HB3 LEU A 49 24.028 10.734 -8.510 1.00 40.24 H new ATOM 0 HG LEU A 49 22.613 8.630 -8.577 1.00 54.51 H new ATOM 0 HD11 LEU A 49 23.008 6.975 -6.796 1.00 1.32 H new ATOM 0 HD12 LEU A 49 24.350 7.023 -7.963 1.00 1.32 H new ATOM 0 HD13 LEU A 49 24.526 7.801 -6.372 1.00 1.32 H new ATOM 0 HD21 LEU A 49 21.692 9.008 -6.321 1.00 45.01 H new ATOM 0 HD22 LEU A 49 23.159 9.914 -5.879 1.00 45.01 H new ATOM 0 HD23 LEU A 49 22.074 10.539 -7.143 1.00 45.01 H new ATOM 803 N LYS A 50 24.167 10.415 -11.454 1.00 55.13 N ATOM 804 CA LYS A 50 23.299 10.608 -12.610 1.00 41.13 C ATOM 805 C LYS A 50 23.646 9.622 -13.721 1.00 73.03 C ATOM 806 O LYS A 50 22.760 9.040 -14.348 1.00 51.42 O ATOM 807 CB LYS A 50 23.420 12.042 -13.131 1.00 0.22 C ATOM 808 CG LYS A 50 22.311 12.960 -12.647 1.00 51.22 C ATOM 809 CD LYS A 50 21.259 13.178 -13.722 1.00 32.33 C ATOM 810 CE LYS A 50 19.857 12.923 -13.189 1.00 0.41 C ATOM 811 NZ LYS A 50 19.397 14.020 -12.293 1.00 13.21 N ATOM 0 H LYS A 50 24.773 11.208 -11.245 1.00 55.13 H new ATOM 0 HA LYS A 50 22.271 10.428 -12.295 1.00 41.13 H new ATOM 0 HB2 LYS A 50 24.381 12.452 -12.821 1.00 0.22 H new ATOM 0 HB3 LYS A 50 23.417 12.025 -14.221 1.00 0.22 H new ATOM 0 HG2 LYS A 50 21.843 12.531 -11.761 1.00 51.22 H new ATOM 0 HG3 LYS A 50 22.735 13.920 -12.351 1.00 51.22 H new ATOM 0 HD2 LYS A 50 21.327 14.199 -14.097 1.00 32.33 H new ATOM 0 HD3 LYS A 50 21.455 12.515 -14.565 1.00 32.33 H new ATOM 0 HE2 LYS A 50 19.164 12.821 -14.024 1.00 0.41 H new ATOM 0 HE3 LYS A 50 19.841 11.979 -12.645 1.00 0.41 H new ATOM 0 HZ1 LYS A 50 18.438 13.809 -11.950 1.00 13.21 H new ATOM 0 HZ2 LYS A 50 20.044 14.101 -11.483 1.00 13.21 H new ATOM 0 HZ3 LYS A 50 19.387 14.917 -12.819 1.00 13.21 H new ATOM 825 N LYS A 51 24.940 9.437 -13.959 1.00 53.05 N ATOM 826 CA LYS A 51 25.404 8.519 -14.993 1.00 5.23 C ATOM 827 C LYS A 51 25.084 7.075 -14.622 1.00 31.24 C ATOM 828 O LYS A 51 24.842 6.238 -15.493 1.00 3.22 O ATOM 829 CB LYS A 51 26.911 8.680 -15.206 1.00 63.32 C ATOM 830 CG LYS A 51 27.316 8.738 -16.669 1.00 74.51 C ATOM 831 CD LYS A 51 28.822 8.630 -16.836 1.00 21.20 C ATOM 832 CE LYS A 51 29.249 7.201 -17.134 1.00 21.44 C ATOM 833 NZ LYS A 51 30.656 7.131 -17.618 1.00 13.52 N ATOM 0 H LYS A 51 25.686 9.911 -13.450 1.00 53.05 H new ATOM 0 HA LYS A 51 24.884 8.761 -15.920 1.00 5.23 H new ATOM 0 HB2 LYS A 51 27.244 9.591 -14.709 1.00 63.32 H new ATOM 0 HB3 LYS A 51 27.428 7.848 -14.727 1.00 63.32 H new ATOM 0 HG2 LYS A 51 26.830 7.929 -17.214 1.00 74.51 H new ATOM 0 HG3 LYS A 51 26.967 9.673 -17.107 1.00 74.51 H new ATOM 0 HD2 LYS A 51 29.147 9.284 -17.645 1.00 21.20 H new ATOM 0 HD3 LYS A 51 29.316 8.976 -15.928 1.00 21.20 H new ATOM 0 HE2 LYS A 51 29.144 6.596 -16.234 1.00 21.44 H new ATOM 0 HE3 LYS A 51 28.585 6.773 -17.885 1.00 21.44 H new ATOM 0 HZ1 LYS A 51 30.908 6.140 -17.810 1.00 13.52 H new ATOM 0 HZ2 LYS A 51 30.751 7.688 -18.491 1.00 13.52 H new ATOM 0 HZ3 LYS A 51 31.293 7.516 -16.891 1.00 13.52 H new ATOM 847 N LEU A 52 25.082 6.789 -13.324 1.00 60.34 N ATOM 848 CA LEU A 52 24.789 5.445 -12.838 1.00 23.03 C ATOM 849 C LEU A 52 23.421 4.977 -13.321 1.00 75.24 C ATOM 850 O LEU A 52 23.145 3.778 -13.369 1.00 14.51 O ATOM 851 CB LEU A 52 24.841 5.412 -11.309 1.00 42.22 C ATOM 852 CG LEU A 52 24.429 4.095 -10.652 1.00 22.33 C ATOM 853 CD1 LEU A 52 25.425 3.703 -9.571 1.00 50.11 C ATOM 854 CD2 LEU A 52 23.026 4.204 -10.072 1.00 62.45 C ATOM 0 H LEU A 52 25.280 7.469 -12.590 1.00 60.34 H new ATOM 0 HA LEU A 52 25.545 4.769 -13.237 1.00 23.03 H new ATOM 0 HB2 LEU A 52 25.857 5.649 -10.995 1.00 42.22 H new ATOM 0 HB3 LEU A 52 24.196 6.203 -10.926 1.00 42.22 H new ATOM 0 HG LEU A 52 24.426 3.316 -11.415 1.00 22.33 H new ATOM 0 HD11 LEU A 52 25.115 2.763 -9.114 1.00 50.11 H new ATOM 0 HD12 LEU A 52 26.414 3.583 -10.014 1.00 50.11 H new ATOM 0 HD13 LEU A 52 25.461 4.482 -8.809 1.00 50.11 H new ATOM 0 HD21 LEU A 52 22.749 3.257 -9.608 1.00 62.45 H new ATOM 0 HD22 LEU A 52 23.002 4.995 -9.323 1.00 62.45 H new ATOM 0 HD23 LEU A 52 22.320 4.438 -10.869 1.00 62.45 H new ATOM 866 N ALA A 53 22.568 5.931 -13.682 1.00 31.55 N ATOM 867 CA ALA A 53 21.230 5.616 -14.166 1.00 33.31 C ATOM 868 C ALA A 53 21.282 4.601 -15.303 1.00 30.33 C ATOM 869 O ALA A 53 20.336 3.843 -15.513 1.00 71.44 O ATOM 870 CB ALA A 53 20.521 6.883 -14.620 1.00 11.33 C ATOM 0 H ALA A 53 22.780 6.928 -13.648 1.00 31.55 H new ATOM 0 HA ALA A 53 20.668 5.173 -13.344 1.00 33.31 H new ATOM 0 HB1 ALA A 53 19.523 6.633 -14.979 1.00 11.33 H new ATOM 0 HB2 ALA A 53 20.442 7.576 -13.782 1.00 11.33 H new ATOM 0 HB3 ALA A 53 21.089 7.350 -15.425 1.00 11.33 H new ATOM 876 N GLU A 54 22.393 4.593 -16.032 1.00 61.05 N ATOM 877 CA GLU A 54 22.566 3.671 -17.149 1.00 45.31 C ATOM 878 C GLU A 54 22.930 2.275 -16.651 1.00 14.40 C ATOM 879 O GLU A 54 22.527 1.272 -17.239 1.00 21.05 O ATOM 880 CB GLU A 54 23.651 4.184 -18.099 1.00 1.12 C ATOM 881 CG GLU A 54 23.775 3.371 -19.376 1.00 43.25 C ATOM 882 CD GLU A 54 23.504 4.195 -20.621 1.00 33.45 C ATOM 883 OE1 GLU A 54 24.443 4.856 -21.110 1.00 64.44 O ATOM 884 OE2 GLU A 54 22.353 4.178 -21.104 1.00 15.42 O ATOM 0 H GLU A 54 23.186 5.214 -15.870 1.00 61.05 H new ATOM 0 HA GLU A 54 21.620 3.611 -17.687 1.00 45.31 H new ATOM 0 HB2 GLU A 54 23.435 5.221 -18.358 1.00 1.12 H new ATOM 0 HB3 GLU A 54 24.609 4.178 -17.580 1.00 1.12 H new ATOM 0 HG2 GLU A 54 24.777 2.947 -19.436 1.00 43.25 H new ATOM 0 HG3 GLU A 54 23.077 2.535 -19.339 1.00 43.25 H new ATOM 891 N GLU A 55 23.693 2.221 -15.564 1.00 45.33 N ATOM 892 CA GLU A 55 24.112 0.949 -14.988 1.00 70.22 C ATOM 893 C GLU A 55 22.907 0.152 -14.495 1.00 4.52 C ATOM 894 O GLU A 55 22.847 -1.067 -14.656 1.00 53.41 O ATOM 895 CB GLU A 55 25.090 1.183 -13.835 1.00 33.24 C ATOM 896 CG GLU A 55 25.042 0.102 -12.768 1.00 12.25 C ATOM 897 CD GLU A 55 25.290 -1.284 -13.330 1.00 34.14 C ATOM 898 OE1 GLU A 55 26.164 -1.419 -14.211 1.00 2.40 O ATOM 899 OE2 GLU A 55 24.609 -2.234 -12.889 1.00 4.01 O ATOM 0 H GLU A 55 24.033 3.043 -15.065 1.00 45.33 H new ATOM 0 HA GLU A 55 24.612 0.374 -15.767 1.00 70.22 H new ATOM 0 HB2 GLU A 55 26.102 1.243 -14.235 1.00 33.24 H new ATOM 0 HB3 GLU A 55 24.872 2.147 -13.374 1.00 33.24 H new ATOM 0 HG2 GLU A 55 25.788 0.319 -12.003 1.00 12.25 H new ATOM 0 HG3 GLU A 55 24.068 0.123 -12.279 1.00 12.25 H new ATOM 906 N PHE A 56 21.951 0.851 -13.892 1.00 74.41 N ATOM 907 CA PHE A 56 20.748 0.210 -13.373 1.00 71.23 C ATOM 908 C PHE A 56 19.583 1.194 -13.330 1.00 74.15 C ATOM 909 O PHE A 56 19.194 1.689 -12.273 1.00 1.55 O ATOM 910 CB PHE A 56 21.007 -0.352 -11.974 1.00 21.30 C ATOM 911 CG PHE A 56 19.991 -1.369 -11.539 1.00 31.13 C ATOM 912 CD1 PHE A 56 19.755 -2.502 -12.300 1.00 72.14 C ATOM 913 CD2 PHE A 56 19.271 -1.192 -10.368 1.00 4.51 C ATOM 914 CE1 PHE A 56 18.821 -3.440 -11.903 1.00 13.05 C ATOM 915 CE2 PHE A 56 18.336 -2.126 -9.965 1.00 24.12 C ATOM 916 CZ PHE A 56 18.110 -3.251 -10.734 1.00 32.04 C ATOM 0 H PHE A 56 21.986 1.861 -13.751 1.00 74.41 H new ATOM 0 HA PHE A 56 20.485 -0.609 -14.043 1.00 71.23 H new ATOM 0 HB2 PHE A 56 21.997 -0.807 -11.952 1.00 21.30 H new ATOM 0 HB3 PHE A 56 21.017 0.469 -11.257 1.00 21.30 H new ATOM 0 HD1 PHE A 56 20.308 -2.654 -13.215 1.00 72.14 H new ATOM 0 HD2 PHE A 56 19.443 -0.314 -9.763 1.00 4.51 H new ATOM 0 HE1 PHE A 56 18.647 -4.319 -12.506 1.00 13.05 H new ATOM 0 HE2 PHE A 56 17.782 -1.977 -9.050 1.00 24.12 H new ATOM 0 HZ PHE A 56 17.379 -3.982 -10.422 1.00 32.04 H new ATOM 926 N PRO A 57 19.011 1.485 -14.509 1.00 20.25 N ATOM 927 CA PRO A 57 17.882 2.412 -14.633 1.00 61.32 C ATOM 928 C PRO A 57 16.598 1.844 -14.039 1.00 74.01 C ATOM 929 O PRO A 57 15.591 2.544 -13.929 1.00 72.05 O ATOM 930 CB PRO A 57 17.737 2.593 -16.146 1.00 62.43 C ATOM 931 CG PRO A 57 18.312 1.350 -16.733 1.00 63.12 C ATOM 932 CD PRO A 57 19.422 0.931 -15.809 1.00 44.04 C ATOM 0 HA PRO A 57 18.057 3.343 -14.093 1.00 61.32 H new ATOM 0 HB2 PRO A 57 16.693 2.719 -16.431 1.00 62.43 H new ATOM 0 HB3 PRO A 57 18.271 3.478 -16.492 1.00 62.43 H new ATOM 0 HG2 PRO A 57 17.555 0.570 -16.813 1.00 63.12 H new ATOM 0 HG3 PRO A 57 18.690 1.532 -17.739 1.00 63.12 H new ATOM 0 HD2 PRO A 57 19.524 -0.153 -15.769 1.00 44.04 H new ATOM 0 HD3 PRO A 57 20.384 1.330 -16.130 1.00 44.04 H new ATOM 940 N ASP A 58 16.640 0.572 -13.657 1.00 13.41 N ATOM 941 CA ASP A 58 15.479 -0.089 -13.072 1.00 40.01 C ATOM 942 C ASP A 58 15.178 0.468 -11.684 1.00 62.11 C ATOM 943 O ASP A 58 14.026 0.500 -11.253 1.00 14.11 O ATOM 944 CB ASP A 58 15.713 -1.598 -12.990 1.00 31.20 C ATOM 945 CG ASP A 58 14.966 -2.238 -11.836 1.00 41.11 C ATOM 946 OD1 ASP A 58 13.904 -2.848 -12.082 1.00 24.34 O ATOM 947 OD2 ASP A 58 15.444 -2.129 -10.688 1.00 13.14 O ATOM 0 H ASP A 58 17.465 -0.022 -13.742 1.00 13.41 H new ATOM 0 HA ASP A 58 14.620 0.103 -13.715 1.00 40.01 H new ATOM 0 HB2 ASP A 58 15.399 -2.063 -13.925 1.00 31.20 H new ATOM 0 HB3 ASP A 58 16.780 -1.792 -12.880 1.00 31.20 H new ATOM 952 N VAL A 59 16.223 0.905 -10.988 1.00 61.01 N ATOM 953 CA VAL A 59 16.071 1.461 -9.649 1.00 22.42 C ATOM 954 C VAL A 59 15.653 2.926 -9.706 1.00 21.43 C ATOM 955 O VAL A 59 15.928 3.623 -10.682 1.00 64.13 O ATOM 956 CB VAL A 59 17.377 1.342 -8.840 1.00 71.24 C ATOM 957 CG1 VAL A 59 18.440 2.273 -9.403 1.00 31.00 C ATOM 958 CG2 VAL A 59 17.121 1.637 -7.370 1.00 45.32 C ATOM 0 H VAL A 59 17.184 0.885 -11.330 1.00 61.01 H new ATOM 0 HA VAL A 59 15.291 0.883 -9.153 1.00 22.42 H new ATOM 0 HB VAL A 59 17.744 0.319 -8.923 1.00 71.24 H new ATOM 0 HG11 VAL A 59 19.355 2.175 -8.819 1.00 31.00 H new ATOM 0 HG12 VAL A 59 18.642 2.009 -10.441 1.00 31.00 H new ATOM 0 HG13 VAL A 59 18.086 3.303 -9.353 1.00 31.00 H new ATOM 0 HG21 VAL A 59 18.054 1.548 -6.813 1.00 45.32 H new ATOM 0 HG22 VAL A 59 16.730 2.649 -7.265 1.00 45.32 H new ATOM 0 HG23 VAL A 59 16.395 0.925 -6.977 1.00 45.32 H new ATOM 968 N ASP A 60 14.987 3.386 -8.653 1.00 0.23 N ATOM 969 CA ASP A 60 14.532 4.770 -8.581 1.00 74.24 C ATOM 970 C ASP A 60 15.545 5.638 -7.842 1.00 32.12 C ATOM 971 O ASP A 60 16.063 5.249 -6.795 1.00 22.40 O ATOM 972 CB ASP A 60 13.172 4.846 -7.886 1.00 13.33 C ATOM 973 CG ASP A 60 12.868 6.235 -7.359 1.00 41.10 C ATOM 974 OD1 ASP A 60 12.378 6.342 -6.215 1.00 44.30 O ATOM 975 OD2 ASP A 60 13.121 7.215 -8.090 1.00 62.14 O ATOM 0 H ASP A 60 14.750 2.821 -7.837 1.00 0.23 H new ATOM 0 HA ASP A 60 14.433 5.147 -9.599 1.00 74.24 H new ATOM 0 HB2 ASP A 60 12.392 4.548 -8.587 1.00 13.33 H new ATOM 0 HB3 ASP A 60 13.149 4.134 -7.061 1.00 13.33 H new ATOM 980 N ILE A 61 15.823 6.814 -8.394 1.00 14.35 N ATOM 981 CA ILE A 61 16.774 7.737 -7.786 1.00 34.10 C ATOM 982 C ILE A 61 16.145 9.109 -7.567 1.00 21.24 C ATOM 983 O ILE A 61 15.920 9.859 -8.516 1.00 43.34 O ATOM 984 CB ILE A 61 18.036 7.896 -8.653 1.00 63.12 C ATOM 985 CG1 ILE A 61 18.523 6.529 -9.139 1.00 41.24 C ATOM 986 CG2 ILE A 61 19.131 8.606 -7.870 1.00 55.24 C ATOM 987 CD1 ILE A 61 18.287 6.293 -10.615 1.00 14.43 C ATOM 0 H ILE A 61 15.404 7.150 -9.261 1.00 14.35 H new ATOM 0 HA ILE A 61 17.056 7.311 -6.823 1.00 34.10 H new ATOM 0 HB ILE A 61 17.787 8.503 -9.523 1.00 63.12 H new ATOM 0 HG12 ILE A 61 19.589 6.437 -8.930 1.00 41.24 H new ATOM 0 HG13 ILE A 61 18.018 5.749 -8.569 1.00 41.24 H new ATOM 0 HG21 ILE A 61 20.017 8.711 -8.497 1.00 55.24 H new ATOM 0 HG22 ILE A 61 18.781 9.593 -7.568 1.00 55.24 H new ATOM 0 HG23 ILE A 61 19.381 8.023 -6.983 1.00 55.24 H new ATOM 0 HD11 ILE A 61 18.657 5.305 -10.889 1.00 14.43 H new ATOM 0 HD12 ILE A 61 17.219 6.353 -10.827 1.00 14.43 H new ATOM 0 HD13 ILE A 61 18.815 7.051 -11.194 1.00 14.43 H new ATOM 999 N TYR A 62 15.865 9.431 -6.309 1.00 22.34 N ATOM 1000 CA TYR A 62 15.262 10.713 -5.964 1.00 30.42 C ATOM 1001 C TYR A 62 16.018 11.380 -4.819 1.00 34.24 C ATOM 1002 O TYR A 62 16.501 10.710 -3.905 1.00 0.55 O ATOM 1003 CB TYR A 62 13.794 10.522 -5.579 1.00 0.05 C ATOM 1004 CG TYR A 62 13.601 9.941 -4.196 1.00 4.32 C ATOM 1005 CD1 TYR A 62 13.024 10.693 -3.180 1.00 5.24 C ATOM 1006 CD2 TYR A 62 13.997 8.642 -3.905 1.00 61.31 C ATOM 1007 CE1 TYR A 62 12.847 10.167 -1.914 1.00 41.25 C ATOM 1008 CE2 TYR A 62 13.822 8.107 -2.643 1.00 42.05 C ATOM 1009 CZ TYR A 62 13.247 8.874 -1.652 1.00 21.34 C ATOM 1010 OH TYR A 62 13.072 8.345 -0.393 1.00 45.21 O ATOM 0 H TYR A 62 16.046 8.822 -5.511 1.00 22.34 H new ATOM 0 HA TYR A 62 15.320 11.361 -6.839 1.00 30.42 H new ATOM 0 HB2 TYR A 62 13.285 11.484 -5.634 1.00 0.05 H new ATOM 0 HB3 TYR A 62 13.318 9.867 -6.309 1.00 0.05 H new ATOM 0 HD1 TYR A 62 12.708 11.706 -3.383 1.00 5.24 H new ATOM 0 HD2 TYR A 62 14.450 8.039 -4.679 1.00 61.31 H new ATOM 0 HE1 TYR A 62 12.398 10.765 -1.135 1.00 41.25 H new ATOM 0 HE2 TYR A 62 14.134 7.094 -2.434 1.00 42.05 H new ATOM 0 HH TYR A 62 12.631 7.472 -0.463 1.00 45.21 H new ATOM 1020 N LEU A 63 16.115 12.703 -4.875 1.00 12.42 N ATOM 1021 CA LEU A 63 16.811 13.464 -3.843 1.00 33.05 C ATOM 1022 C LEU A 63 15.846 13.901 -2.745 1.00 10.50 C ATOM 1023 O LEU A 63 14.657 14.103 -2.993 1.00 2.50 O ATOM 1024 CB LEU A 63 17.493 14.688 -4.456 1.00 14.33 C ATOM 1025 CG LEU A 63 18.937 14.491 -4.916 1.00 42.45 C ATOM 1026 CD1 LEU A 63 19.023 13.369 -5.939 1.00 22.34 C ATOM 1027 CD2 LEU A 63 19.494 15.785 -5.494 1.00 33.30 C ATOM 0 H LEU A 63 15.721 13.272 -5.624 1.00 12.42 H new ATOM 0 HA LEU A 63 17.569 12.819 -3.399 1.00 33.05 H new ATOM 0 HB2 LEU A 63 16.902 15.018 -5.311 1.00 14.33 H new ATOM 0 HB3 LEU A 63 17.473 15.495 -3.724 1.00 14.33 H new ATOM 0 HG LEU A 63 19.539 14.214 -4.051 1.00 42.45 H new ATOM 0 HD11 LEU A 63 20.059 13.243 -6.255 1.00 22.34 H new ATOM 0 HD12 LEU A 63 18.665 12.441 -5.493 1.00 22.34 H new ATOM 0 HD13 LEU A 63 18.407 13.617 -6.804 1.00 22.34 H new ATOM 0 HD21 LEU A 63 20.523 15.626 -5.816 1.00 33.30 H new ATOM 0 HD22 LEU A 63 18.890 16.092 -6.348 1.00 33.30 H new ATOM 0 HD23 LEU A 63 19.469 16.564 -4.732 1.00 33.30 H new ATOM 1039 N VAL A 64 16.366 14.048 -1.531 1.00 4.14 N ATOM 1040 CA VAL A 64 15.552 14.465 -0.395 1.00 43.22 C ATOM 1041 C VAL A 64 16.165 15.672 0.306 1.00 14.41 C ATOM 1042 O VAL A 64 17.382 15.757 0.469 1.00 11.20 O ATOM 1043 CB VAL A 64 15.385 13.323 0.625 1.00 54.33 C ATOM 1044 CG1 VAL A 64 14.369 13.705 1.691 1.00 23.53 C ATOM 1045 CG2 VAL A 64 14.975 12.038 -0.078 1.00 32.21 C ATOM 0 H VAL A 64 17.348 13.884 -1.308 1.00 4.14 H new ATOM 0 HA VAL A 64 14.573 14.736 -0.789 1.00 43.22 H new ATOM 0 HB VAL A 64 16.344 13.152 1.115 1.00 54.33 H new ATOM 0 HG11 VAL A 64 14.264 12.887 2.403 1.00 23.53 H new ATOM 0 HG12 VAL A 64 14.709 14.599 2.214 1.00 23.53 H new ATOM 0 HG13 VAL A 64 13.406 13.903 1.221 1.00 23.53 H new ATOM 0 HG21 VAL A 64 14.861 11.241 0.657 1.00 32.21 H new ATOM 0 HG22 VAL A 64 14.028 12.192 -0.595 1.00 32.21 H new ATOM 0 HG23 VAL A 64 15.741 11.758 -0.801 1.00 32.21 H new ATOM 1055 N ASP A 65 15.313 16.604 0.720 1.00 52.24 N ATOM 1056 CA ASP A 65 15.769 17.807 1.406 1.00 45.35 C ATOM 1057 C ASP A 65 15.332 17.799 2.867 1.00 25.51 C ATOM 1058 O ASP A 65 14.147 17.663 3.172 1.00 51.43 O ATOM 1059 CB ASP A 65 15.229 19.055 0.706 1.00 14.31 C ATOM 1060 CG ASP A 65 13.887 18.812 0.043 1.00 64.34 C ATOM 1061 OD1 ASP A 65 12.861 19.257 0.597 1.00 11.44 O ATOM 1062 OD2 ASP A 65 13.864 18.176 -1.032 1.00 3.21 O ATOM 0 H ASP A 65 14.303 16.549 0.592 1.00 52.24 H new ATOM 0 HA ASP A 65 16.858 17.823 1.372 1.00 45.35 H new ATOM 0 HB2 ASP A 65 15.131 19.862 1.432 1.00 14.31 H new ATOM 0 HB3 ASP A 65 15.947 19.387 -0.044 1.00 14.31 H new ATOM 1067 N THR A 66 16.298 17.942 3.769 1.00 4.53 N ATOM 1068 CA THR A 66 16.014 17.949 5.199 1.00 63.13 C ATOM 1069 C THR A 66 15.038 19.062 5.560 1.00 14.02 C ATOM 1070 O THR A 66 14.397 19.022 6.610 1.00 32.34 O ATOM 1071 CB THR A 66 17.302 18.122 6.027 1.00 54.14 C ATOM 1072 OG1 THR A 66 18.224 18.965 5.327 1.00 22.12 O ATOM 1073 CG2 THR A 66 17.950 16.775 6.307 1.00 61.20 C ATOM 0 H THR A 66 17.284 18.055 3.534 1.00 4.53 H new ATOM 0 HA THR A 66 15.565 16.985 5.437 1.00 63.13 H new ATOM 0 HB THR A 66 17.038 18.584 6.978 1.00 54.14 H new ATOM 0 HG1 THR A 66 19.076 18.494 5.212 1.00 22.12 H new ATOM 0 HG21 THR A 66 18.857 16.922 6.893 1.00 61.20 H new ATOM 0 HG22 THR A 66 17.256 16.146 6.865 1.00 61.20 H new ATOM 0 HG23 THR A 66 18.202 16.289 5.364 1.00 61.20 H new ATOM 1081 N SER A 67 14.928 20.055 4.683 1.00 21.13 N ATOM 1082 CA SER A 67 14.031 21.181 4.912 1.00 11.41 C ATOM 1083 C SER A 67 12.629 20.696 5.270 1.00 65.24 C ATOM 1084 O SER A 67 11.896 21.361 6.002 1.00 4.13 O ATOM 1085 CB SER A 67 13.972 22.074 3.671 1.00 5.31 C ATOM 1086 OG SER A 67 13.689 23.418 4.022 1.00 24.34 O ATOM 0 H SER A 67 15.449 20.102 3.807 1.00 21.13 H new ATOM 0 HA SER A 67 14.421 21.759 5.749 1.00 11.41 H new ATOM 0 HB2 SER A 67 14.922 22.026 3.139 1.00 5.31 H new ATOM 0 HB3 SER A 67 13.206 21.704 2.989 1.00 5.31 H new ATOM 0 HG SER A 67 13.658 23.968 3.212 1.00 24.34 H new ATOM 1092 N THR A 68 12.262 19.530 4.747 1.00 65.15 N ATOM 1093 CA THR A 68 10.949 18.954 5.008 1.00 4.33 C ATOM 1094 C THR A 68 11.049 17.771 5.964 1.00 75.32 C ATOM 1095 O THR A 68 10.081 17.425 6.640 1.00 21.43 O ATOM 1096 CB THR A 68 10.269 18.492 3.706 1.00 52.41 C ATOM 1097 OG1 THR A 68 11.254 18.030 2.775 1.00 1.53 O ATOM 1098 CG2 THR A 68 9.467 19.625 3.083 1.00 43.50 C ATOM 0 H THR A 68 12.856 18.966 4.140 1.00 65.15 H new ATOM 0 HA THR A 68 10.345 19.738 5.465 1.00 4.33 H new ATOM 0 HB THR A 68 9.588 17.676 3.948 1.00 52.41 H new ATOM 0 HG1 THR A 68 11.566 18.782 2.229 1.00 1.53 H new ATOM 0 HG21 THR A 68 8.996 19.275 2.165 1.00 43.50 H new ATOM 0 HG22 THR A 68 8.699 19.954 3.782 1.00 43.50 H new ATOM 0 HG23 THR A 68 10.131 20.459 2.855 1.00 43.50 H new ATOM 1106 N ASN A 69 12.225 17.154 6.015 1.00 72.04 N ATOM 1107 CA ASN A 69 12.450 16.008 6.888 1.00 10.35 C ATOM 1108 C ASN A 69 13.646 16.249 7.804 1.00 45.21 C ATOM 1109 O ASN A 69 14.660 15.553 7.738 1.00 0.31 O ATOM 1110 CB ASN A 69 12.676 14.743 6.058 1.00 53.43 C ATOM 1111 CG ASN A 69 13.429 15.023 4.771 1.00 13.25 C ATOM 1112 OD1 ASN A 69 14.652 14.896 4.715 1.00 71.31 O ATOM 1113 ND2 ASN A 69 12.699 15.407 3.731 1.00 41.35 N ATOM 0 H ASN A 69 13.037 17.429 5.462 1.00 72.04 H new ATOM 0 HA ASN A 69 11.562 15.874 7.506 1.00 10.35 H new ATOM 0 HB2 ASN A 69 13.233 14.017 6.651 1.00 53.43 H new ATOM 0 HB3 ASN A 69 11.713 14.290 5.821 1.00 53.43 H new ATOM 0 HD21 ASN A 69 13.150 15.610 2.839 1.00 41.35 H new ATOM 0 HD22 ASN A 69 11.687 15.499 3.824 1.00 41.35 H new ATOM 1120 N PRO A 70 13.528 17.258 8.680 1.00 52.35 N ATOM 1121 CA PRO A 70 14.589 17.614 9.626 1.00 22.11 C ATOM 1122 C PRO A 70 14.772 16.561 10.714 1.00 1.42 C ATOM 1123 O PRO A 70 15.895 16.164 11.023 1.00 71.24 O ATOM 1124 CB PRO A 70 14.097 18.930 10.233 1.00 40.33 C ATOM 1125 CG PRO A 70 12.615 18.884 10.086 1.00 2.22 C ATOM 1126 CD PRO A 70 12.348 18.129 8.813 1.00 2.44 C ATOM 0 HA PRO A 70 15.561 17.691 9.138 1.00 22.11 H new ATOM 0 HB2 PRO A 70 14.389 19.017 11.280 1.00 40.33 H new ATOM 0 HB3 PRO A 70 14.520 19.789 9.712 1.00 40.33 H new ATOM 0 HG2 PRO A 70 12.154 18.386 10.939 1.00 2.22 H new ATOM 0 HG3 PRO A 70 12.196 19.889 10.039 1.00 2.22 H new ATOM 0 HD2 PRO A 70 11.426 17.550 8.875 1.00 2.44 H new ATOM 0 HD3 PRO A 70 12.246 18.801 7.961 1.00 2.44 H new ATOM 1134 N GLU A 71 13.661 16.114 11.292 1.00 41.35 N ATOM 1135 CA GLU A 71 13.701 15.108 12.346 1.00 72.32 C ATOM 1136 C GLU A 71 14.435 13.856 11.875 1.00 22.42 C ATOM 1137 O GLU A 71 15.136 13.206 12.651 1.00 71.14 O ATOM 1138 CB GLU A 71 12.282 14.744 12.788 1.00 12.11 C ATOM 1139 CG GLU A 71 11.707 15.691 13.828 1.00 50.21 C ATOM 1140 CD GLU A 71 10.343 16.227 13.438 1.00 30.14 C ATOM 1141 OE1 GLU A 71 9.330 15.625 13.852 1.00 53.20 O ATOM 1142 OE2 GLU A 71 10.288 17.247 12.720 1.00 25.03 O ATOM 0 H GLU A 71 12.723 16.433 11.048 1.00 41.35 H new ATOM 0 HA GLU A 71 14.242 15.528 13.194 1.00 72.32 H new ATOM 0 HB2 GLU A 71 11.629 14.737 11.915 1.00 12.11 H new ATOM 0 HB3 GLU A 71 12.285 13.732 13.193 1.00 12.11 H new ATOM 0 HG2 GLU A 71 11.630 15.172 14.783 1.00 50.21 H new ATOM 0 HG3 GLU A 71 12.393 16.525 13.973 1.00 50.21 H new ATOM 1149 N ALA A 72 14.268 13.523 10.599 1.00 3.42 N ATOM 1150 CA ALA A 72 14.916 12.351 10.024 1.00 33.22 C ATOM 1151 C ALA A 72 16.413 12.355 10.311 1.00 65.15 C ATOM 1152 O ALA A 72 16.985 11.333 10.692 1.00 52.30 O ATOM 1153 CB ALA A 72 14.663 12.290 8.525 1.00 1.50 C ATOM 0 H ALA A 72 13.689 14.049 9.944 1.00 3.42 H new ATOM 0 HA ALA A 72 14.487 11.464 10.490 1.00 33.22 H new ATOM 0 HB1 ALA A 72 15.153 11.410 8.109 1.00 1.50 H new ATOM 0 HB2 ALA A 72 13.591 12.230 8.339 1.00 1.50 H new ATOM 0 HB3 ALA A 72 15.064 13.186 8.052 1.00 1.50 H new ATOM 1159 N ARG A 73 17.044 13.510 10.123 1.00 31.23 N ATOM 1160 CA ARG A 73 18.476 13.646 10.360 1.00 60.52 C ATOM 1161 C ARG A 73 18.843 13.169 11.762 1.00 62.40 C ATOM 1162 O ARG A 73 19.571 12.190 11.924 1.00 44.03 O ATOM 1163 CB ARG A 73 18.909 15.101 10.175 1.00 64.02 C ATOM 1164 CG ARG A 73 19.926 15.297 9.062 1.00 23.03 C ATOM 1165 CD ARG A 73 21.308 15.605 9.618 1.00 31.33 C ATOM 1166 NE ARG A 73 21.301 16.785 10.479 1.00 62.32 N ATOM 1167 CZ ARG A 73 22.393 17.475 10.788 1.00 23.21 C ATOM 1168 NH1 ARG A 73 23.573 17.105 10.309 1.00 20.13 N ATOM 1169 NH2 ARG A 73 22.306 18.538 11.577 1.00 24.15 N ATOM 0 H ARG A 73 16.586 14.365 9.807 1.00 31.23 H new ATOM 0 HA ARG A 73 19.000 13.023 9.635 1.00 60.52 H new ATOM 0 HB2 ARG A 73 18.029 15.709 9.963 1.00 64.02 H new ATOM 0 HB3 ARG A 73 19.332 15.467 11.111 1.00 64.02 H new ATOM 0 HG2 ARG A 73 19.972 14.398 8.447 1.00 23.03 H new ATOM 0 HG3 ARG A 73 19.604 16.111 8.413 1.00 23.03 H new ATOM 0 HD2 ARG A 73 21.671 14.746 10.183 1.00 31.33 H new ATOM 0 HD3 ARG A 73 22.004 15.762 8.794 1.00 31.33 H new ATOM 0 HE ARG A 73 20.409 17.096 10.864 1.00 62.32 H new ATOM 0 HH11 ARG A 73 23.644 16.289 9.702 1.00 20.13 H new ATOM 0 HH12 ARG A 73 24.410 17.637 10.548 1.00 20.13 H new ATOM 0 HH21 ARG A 73 21.400 18.826 11.947 1.00 24.15 H new ATOM 0 HH22 ARG A 73 23.145 19.067 11.814 1.00 24.15 H new ATOM 1183 N GLU A 74 18.334 13.868 12.772 1.00 60.34 N ATOM 1184 CA GLU A 74 18.610 13.516 14.159 1.00 21.35 C ATOM 1185 C GLU A 74 18.118 12.105 14.471 1.00 5.11 C ATOM 1186 O GLU A 74 18.631 11.443 15.373 1.00 4.13 O ATOM 1187 CB GLU A 74 17.947 14.519 15.105 1.00 12.40 C ATOM 1188 CG GLU A 74 18.679 15.848 15.193 1.00 33.13 C ATOM 1189 CD GLU A 74 18.573 16.658 13.916 1.00 52.30 C ATOM 1190 OE1 GLU A 74 17.437 16.992 13.518 1.00 32.41 O ATOM 1191 OE2 GLU A 74 19.625 16.959 13.314 1.00 32.04 O ATOM 0 H GLU A 74 17.729 14.681 12.655 1.00 60.34 H new ATOM 0 HA GLU A 74 19.690 13.547 14.306 1.00 21.35 H new ATOM 0 HB2 GLU A 74 16.925 14.698 14.772 1.00 12.40 H new ATOM 0 HB3 GLU A 74 17.886 14.081 16.101 1.00 12.40 H new ATOM 0 HG2 GLU A 74 18.273 16.428 16.022 1.00 33.13 H new ATOM 0 HG3 GLU A 74 19.730 15.665 15.417 1.00 33.13 H new ATOM 1198 N TRP A 75 17.122 11.653 13.719 1.00 52.00 N ATOM 1199 CA TRP A 75 16.560 10.321 13.915 1.00 51.41 C ATOM 1200 C TRP A 75 17.657 9.263 13.921 1.00 62.14 C ATOM 1201 O TRP A 75 17.571 8.270 14.644 1.00 43.13 O ATOM 1202 CB TRP A 75 15.539 10.010 12.819 1.00 23.20 C ATOM 1203 CG TRP A 75 14.528 8.980 13.224 1.00 1.43 C ATOM 1204 CD1 TRP A 75 13.744 8.997 14.342 1.00 2.45 C ATOM 1205 CD2 TRP A 75 14.194 7.782 12.516 1.00 51.02 C ATOM 1206 NE1 TRP A 75 12.943 7.882 14.372 1.00 72.33 N ATOM 1207 CE2 TRP A 75 13.199 7.121 13.262 1.00 71.30 C ATOM 1208 CE3 TRP A 75 14.637 7.204 11.323 1.00 53.31 C ATOM 1209 CZ2 TRP A 75 12.643 5.912 12.853 1.00 34.41 C ATOM 1210 CZ3 TRP A 75 14.084 6.004 10.919 1.00 52.24 C ATOM 1211 CH2 TRP A 75 13.095 5.369 11.681 1.00 31.43 C ATOM 0 H TRP A 75 16.686 12.188 12.968 1.00 52.00 H new ATOM 0 HA TRP A 75 16.060 10.303 14.883 1.00 51.41 H new ATOM 0 HB2 TRP A 75 15.021 10.929 12.544 1.00 23.20 H new ATOM 0 HB3 TRP A 75 16.065 9.662 11.930 1.00 23.20 H new ATOM 0 HD1 TRP A 75 13.753 9.774 15.093 1.00 2.45 H new ATOM 0 HE1 TRP A 75 12.267 7.657 15.102 1.00 72.33 H new ATOM 0 HE3 TRP A 75 15.398 7.687 10.728 1.00 53.31 H new ATOM 0 HZ2 TRP A 75 11.882 5.420 13.440 1.00 34.41 H new ATOM 0 HZ3 TRP A 75 14.420 5.548 10.000 1.00 52.24 H new ATOM 0 HH2 TRP A 75 12.681 4.433 11.337 1.00 31.43 H new ATOM 1222 N TYR A 76 18.688 9.481 13.111 1.00 14.02 N ATOM 1223 CA TYR A 76 19.801 8.544 13.022 1.00 61.11 C ATOM 1224 C TYR A 76 21.134 9.261 13.214 1.00 13.40 C ATOM 1225 O TYR A 76 22.199 8.661 13.080 1.00 43.54 O ATOM 1226 CB TYR A 76 19.785 7.828 11.670 1.00 21.45 C ATOM 1227 CG TYR A 76 20.752 6.668 11.588 1.00 4.41 C ATOM 1228 CD1 TYR A 76 21.560 6.490 10.471 1.00 11.24 C ATOM 1229 CD2 TYR A 76 20.858 5.751 12.626 1.00 63.10 C ATOM 1230 CE1 TYR A 76 22.445 5.432 10.391 1.00 12.32 C ATOM 1231 CE2 TYR A 76 21.741 4.691 12.555 1.00 23.01 C ATOM 1232 CZ TYR A 76 22.532 4.536 11.436 1.00 61.22 C ATOM 1233 OH TYR A 76 23.412 3.480 11.361 1.00 51.33 O ATOM 0 H TYR A 76 18.775 10.298 12.507 1.00 14.02 H new ATOM 0 HA TYR A 76 19.687 7.808 13.818 1.00 61.11 H new ATOM 0 HB2 TYR A 76 18.777 7.464 11.473 1.00 21.45 H new ATOM 0 HB3 TYR A 76 20.024 8.546 10.885 1.00 21.45 H new ATOM 0 HD1 TYR A 76 21.495 7.191 9.652 1.00 11.24 H new ATOM 0 HD2 TYR A 76 20.240 5.869 13.504 1.00 63.10 H new ATOM 0 HE1 TYR A 76 23.065 5.307 9.515 1.00 12.32 H new ATOM 0 HE2 TYR A 76 21.811 3.987 13.371 1.00 23.01 H new ATOM 0 HH TYR A 76 23.351 2.944 12.179 1.00 51.33 H new ATOM 1243 N ASN A 77 21.064 10.550 13.530 1.00 10.43 N ATOM 1244 CA ASN A 77 22.264 11.352 13.742 1.00 62.44 C ATOM 1245 C ASN A 77 23.228 11.208 12.567 1.00 15.42 C ATOM 1246 O ASN A 77 24.099 10.339 12.569 1.00 24.10 O ATOM 1247 CB ASN A 77 22.959 10.935 15.039 1.00 20.54 C ATOM 1248 CG ASN A 77 24.374 11.472 15.136 1.00 14.34 C ATOM 1249 OD1 ASN A 77 25.311 10.734 15.439 1.00 60.32 O ATOM 1250 ND2 ASN A 77 24.534 12.765 14.880 1.00 53.41 N ATOM 0 H ASN A 77 20.189 11.062 13.645 1.00 10.43 H new ATOM 0 HA ASN A 77 21.964 12.397 13.818 1.00 62.44 H new ATOM 0 HB2 ASN A 77 22.379 11.292 15.890 1.00 20.54 H new ATOM 0 HB3 ASN A 77 22.981 9.847 15.102 1.00 20.54 H new ATOM 0 HD21 ASN A 77 25.463 13.184 14.931 1.00 53.41 H new ATOM 0 HD22 ASN A 77 23.728 13.339 14.632 1.00 53.41 H new ATOM 1257 N ILE A 78 23.064 12.067 11.567 1.00 51.52 N ATOM 1258 CA ILE A 78 23.920 12.038 10.387 1.00 32.23 C ATOM 1259 C ILE A 78 24.932 13.178 10.414 1.00 60.02 C ATOM 1260 O ILE A 78 24.595 14.315 10.745 1.00 41.31 O ATOM 1261 CB ILE A 78 23.094 12.129 9.090 1.00 3.13 C ATOM 1262 CG1 ILE A 78 22.281 10.849 8.886 1.00 1.24 C ATOM 1263 CG2 ILE A 78 24.006 12.379 7.899 1.00 43.34 C ATOM 1264 CD1 ILE A 78 20.793 11.092 8.763 1.00 62.13 C ATOM 0 H ILE A 78 22.346 12.792 11.550 1.00 51.52 H new ATOM 0 HA ILE A 78 24.450 11.085 10.404 1.00 32.23 H new ATOM 0 HB ILE A 78 22.402 12.967 9.175 1.00 3.13 H new ATOM 0 HG12 ILE A 78 22.634 10.343 7.987 1.00 1.24 H new ATOM 0 HG13 ILE A 78 22.463 10.175 9.723 1.00 1.24 H new ATOM 0 HG21 ILE A 78 23.408 12.441 6.990 1.00 43.34 H new ATOM 0 HG22 ILE A 78 24.545 13.315 8.044 1.00 43.34 H new ATOM 0 HG23 ILE A 78 24.720 11.560 7.809 1.00 43.34 H new ATOM 0 HD11 ILE A 78 20.280 10.141 8.620 1.00 62.13 H new ATOM 0 HD12 ILE A 78 20.426 11.570 9.671 1.00 62.13 H new ATOM 0 HD13 ILE A 78 20.600 11.740 7.908 1.00 62.13 H new ATOM 1276 N THR A 79 26.175 12.867 10.061 1.00 64.32 N ATOM 1277 CA THR A 79 27.237 13.865 10.043 1.00 25.51 C ATOM 1278 C THR A 79 27.671 14.181 8.616 1.00 14.33 C ATOM 1279 O THR A 79 28.262 15.229 8.355 1.00 25.52 O ATOM 1280 CB THR A 79 28.464 13.394 10.847 1.00 20.23 C ATOM 1281 OG1 THR A 79 28.870 12.094 10.405 1.00 64.00 O ATOM 1282 CG2 THR A 79 28.152 13.354 12.336 1.00 45.12 C ATOM 0 H THR A 79 26.471 11.931 9.784 1.00 64.32 H new ATOM 0 HA THR A 79 26.832 14.765 10.505 1.00 25.51 H new ATOM 0 HB THR A 79 29.274 14.104 10.680 1.00 20.23 H new ATOM 0 HG1 THR A 79 29.651 11.803 10.920 1.00 64.00 H new ATOM 0 HG21 THR A 79 29.033 13.019 12.883 1.00 45.12 H new ATOM 0 HG22 THR A 79 27.871 14.351 12.676 1.00 45.12 H new ATOM 0 HG23 THR A 79 27.328 12.664 12.517 1.00 45.12 H new ATOM 1290 N SER A 80 27.371 13.270 7.696 1.00 42.32 N ATOM 1291 CA SER A 80 27.733 13.452 6.295 1.00 72.31 C ATOM 1292 C SER A 80 26.494 13.711 5.443 1.00 12.33 C ATOM 1293 O SER A 80 25.738 12.792 5.130 1.00 34.30 O ATOM 1294 CB SER A 80 28.474 12.219 5.774 1.00 45.21 C ATOM 1295 OG SER A 80 28.860 11.368 6.839 1.00 31.12 O ATOM 0 H SER A 80 26.879 12.399 7.895 1.00 42.32 H new ATOM 0 HA SER A 80 28.389 14.319 6.225 1.00 72.31 H new ATOM 0 HB2 SER A 80 27.834 11.672 5.081 1.00 45.21 H new ATOM 0 HB3 SER A 80 29.356 12.530 5.215 1.00 45.21 H new ATOM 0 HG SER A 80 29.330 10.587 6.480 1.00 31.12 H new ATOM 1301 N VAL A 81 26.292 14.972 5.072 1.00 62.43 N ATOM 1302 CA VAL A 81 25.146 15.354 4.255 1.00 2.15 C ATOM 1303 C VAL A 81 24.851 14.300 3.195 1.00 74.41 C ATOM 1304 O VAL A 81 23.758 13.735 3.132 1.00 0.54 O ATOM 1305 CB VAL A 81 25.377 16.711 3.564 1.00 23.03 C ATOM 1306 CG1 VAL A 81 24.221 17.658 3.847 1.00 4.44 C ATOM 1307 CG2 VAL A 81 26.698 17.319 4.013 1.00 72.24 C ATOM 0 H VAL A 81 26.907 15.746 5.324 1.00 62.43 H new ATOM 0 HA VAL A 81 24.292 15.438 4.927 1.00 2.15 H new ATOM 0 HB VAL A 81 25.426 16.548 2.487 1.00 23.03 H new ATOM 0 HG11 VAL A 81 24.402 18.611 3.351 1.00 4.44 H new ATOM 0 HG12 VAL A 81 23.294 17.224 3.472 1.00 4.44 H new ATOM 0 HG13 VAL A 81 24.137 17.819 4.922 1.00 4.44 H new ATOM 0 HG21 VAL A 81 26.845 18.277 3.515 1.00 72.24 H new ATOM 0 HG22 VAL A 81 26.681 17.470 5.092 1.00 72.24 H new ATOM 0 HG23 VAL A 81 27.515 16.646 3.754 1.00 72.24 H new ATOM 1317 N PRO A 82 25.847 14.025 2.340 1.00 53.24 N ATOM 1318 CA PRO A 82 25.718 13.036 1.266 1.00 70.42 C ATOM 1319 C PRO A 82 25.650 11.608 1.798 1.00 41.21 C ATOM 1320 O PRO A 82 26.623 10.857 1.718 1.00 1.55 O ATOM 1321 CB PRO A 82 26.992 13.239 0.441 1.00 14.05 C ATOM 1322 CG PRO A 82 27.975 13.817 1.400 1.00 52.12 C ATOM 1323 CD PRO A 82 27.176 14.659 2.355 1.00 14.34 C ATOM 0 HA PRO A 82 24.799 13.171 0.696 1.00 70.42 H new ATOM 0 HB2 PRO A 82 27.350 12.296 0.027 1.00 14.05 H new ATOM 0 HB3 PRO A 82 26.817 13.911 -0.400 1.00 14.05 H new ATOM 0 HG2 PRO A 82 28.513 13.030 1.929 1.00 52.12 H new ATOM 0 HG3 PRO A 82 28.721 14.418 0.880 1.00 52.12 H new ATOM 0 HD2 PRO A 82 27.611 14.656 3.354 1.00 14.34 H new ATOM 0 HD3 PRO A 82 27.129 15.699 2.031 1.00 14.34 H new ATOM 1331 N THR A 83 24.494 11.238 2.341 1.00 43.12 N ATOM 1332 CA THR A 83 24.300 9.901 2.887 1.00 72.14 C ATOM 1333 C THR A 83 23.596 8.994 1.883 1.00 2.42 C ATOM 1334 O THR A 83 23.019 9.466 0.903 1.00 11.24 O ATOM 1335 CB THR A 83 23.479 9.940 4.190 1.00 60.25 C ATOM 1336 OG1 THR A 83 23.335 11.292 4.638 1.00 50.35 O ATOM 1337 CG2 THR A 83 24.147 9.109 5.275 1.00 50.21 C ATOM 0 H THR A 83 23.678 11.846 2.414 1.00 43.12 H new ATOM 0 HA THR A 83 25.291 9.501 3.102 1.00 72.14 H new ATOM 0 HB THR A 83 22.495 9.519 3.986 1.00 60.25 H new ATOM 0 HG1 THR A 83 24.221 11.684 4.785 1.00 50.35 H new ATOM 0 HG21 THR A 83 23.549 9.152 6.186 1.00 50.21 H new ATOM 0 HG22 THR A 83 24.228 8.074 4.942 1.00 50.21 H new ATOM 0 HG23 THR A 83 25.143 9.505 5.476 1.00 50.21 H new ATOM 1345 N PHE A 84 23.647 7.690 2.134 1.00 44.34 N ATOM 1346 CA PHE A 84 23.015 6.717 1.251 1.00 34.01 C ATOM 1347 C PHE A 84 22.205 5.701 2.053 1.00 44.54 C ATOM 1348 O PHE A 84 22.765 4.812 2.694 1.00 71.23 O ATOM 1349 CB PHE A 84 24.071 5.996 0.411 1.00 30.34 C ATOM 1350 CG PHE A 84 24.288 6.615 -0.940 1.00 30.13 C ATOM 1351 CD1 PHE A 84 25.557 6.996 -1.346 1.00 55.01 C ATOM 1352 CD2 PHE A 84 23.223 6.816 -1.803 1.00 42.22 C ATOM 1353 CE1 PHE A 84 25.760 7.566 -2.589 1.00 32.31 C ATOM 1354 CE2 PHE A 84 23.420 7.385 -3.047 1.00 64.02 C ATOM 1355 CZ PHE A 84 24.690 7.761 -3.440 1.00 40.31 C ATOM 0 H PHE A 84 24.119 7.283 2.941 1.00 44.34 H new ATOM 0 HA PHE A 84 22.337 7.253 0.586 1.00 34.01 H new ATOM 0 HB2 PHE A 84 25.015 5.991 0.955 1.00 30.34 H new ATOM 0 HB3 PHE A 84 23.772 4.956 0.281 1.00 30.34 H new ATOM 0 HD1 PHE A 84 26.397 6.846 -0.684 1.00 55.01 H new ATOM 0 HD2 PHE A 84 22.228 6.525 -1.500 1.00 42.22 H new ATOM 0 HE1 PHE A 84 26.754 7.858 -2.894 1.00 32.31 H new ATOM 0 HE2 PHE A 84 22.582 7.536 -3.711 1.00 64.02 H new ATOM 0 HZ PHE A 84 24.846 8.207 -4.411 1.00 40.31 H new ATOM 1365 N VAL A 85 20.884 5.842 2.012 1.00 62.33 N ATOM 1366 CA VAL A 85 19.997 4.937 2.733 1.00 53.30 C ATOM 1367 C VAL A 85 19.186 4.078 1.769 1.00 1.01 C ATOM 1368 O VAL A 85 18.620 4.582 0.798 1.00 25.23 O ATOM 1369 CB VAL A 85 19.031 5.711 3.650 1.00 40.32 C ATOM 1370 CG1 VAL A 85 18.502 4.808 4.753 1.00 21.51 C ATOM 1371 CG2 VAL A 85 19.719 6.935 4.236 1.00 60.03 C ATOM 0 H VAL A 85 20.405 6.574 1.487 1.00 62.33 H new ATOM 0 HA VAL A 85 20.630 4.293 3.344 1.00 53.30 H new ATOM 0 HB VAL A 85 18.184 6.049 3.053 1.00 40.32 H new ATOM 0 HG11 VAL A 85 17.821 5.373 5.390 1.00 21.51 H new ATOM 0 HG12 VAL A 85 17.970 3.966 4.310 1.00 21.51 H new ATOM 0 HG13 VAL A 85 19.335 4.437 5.350 1.00 21.51 H new ATOM 0 HG21 VAL A 85 19.022 7.470 4.881 1.00 60.03 H new ATOM 0 HG22 VAL A 85 20.585 6.621 4.819 1.00 60.03 H new ATOM 0 HG23 VAL A 85 20.043 7.592 3.429 1.00 60.03 H new ATOM 1381 N ILE A 86 19.134 2.779 2.044 1.00 12.10 N ATOM 1382 CA ILE A 86 18.391 1.850 1.202 1.00 72.11 C ATOM 1383 C ILE A 86 17.188 1.277 1.944 1.00 52.43 C ATOM 1384 O ILE A 86 17.317 0.773 3.059 1.00 53.42 O ATOM 1385 CB ILE A 86 19.282 0.690 0.720 1.00 4.15 C ATOM 1386 CG1 ILE A 86 20.717 1.177 0.503 1.00 33.24 C ATOM 1387 CG2 ILE A 86 18.722 0.088 -0.559 1.00 64.53 C ATOM 1388 CD1 ILE A 86 21.667 0.083 0.069 1.00 32.22 C ATOM 0 H ILE A 86 19.597 2.346 2.843 1.00 12.10 H new ATOM 0 HA ILE A 86 18.046 2.416 0.337 1.00 72.11 H new ATOM 0 HB ILE A 86 19.293 -0.084 1.488 1.00 4.15 H new ATOM 0 HG12 ILE A 86 20.715 1.965 -0.250 1.00 33.24 H new ATOM 0 HG13 ILE A 86 21.085 1.621 1.428 1.00 33.24 H new ATOM 0 HG21 ILE A 86 19.363 -0.730 -0.887 1.00 64.53 H new ATOM 0 HG22 ILE A 86 17.717 -0.290 -0.373 1.00 64.53 H new ATOM 0 HG23 ILE A 86 18.684 0.853 -1.335 1.00 64.53 H new ATOM 0 HD11 ILE A 86 22.665 0.500 -0.066 1.00 32.22 H new ATOM 0 HD12 ILE A 86 21.699 -0.695 0.832 1.00 32.22 H new ATOM 0 HD13 ILE A 86 21.323 -0.346 -0.872 1.00 32.22 H new ATOM 1400 N GLU A 87 16.019 1.358 1.315 1.00 31.54 N ATOM 1401 CA GLU A 87 14.793 0.846 1.916 1.00 32.04 C ATOM 1402 C GLU A 87 13.951 0.101 0.884 1.00 13.24 C ATOM 1403 O GLU A 87 13.846 0.521 -0.268 1.00 61.34 O ATOM 1404 CB GLU A 87 13.980 1.991 2.524 1.00 52.24 C ATOM 1405 CG GLU A 87 13.467 2.986 1.495 1.00 21.45 C ATOM 1406 CD GLU A 87 12.187 2.525 0.826 1.00 13.24 C ATOM 1407 OE1 GLU A 87 11.967 2.890 -0.348 1.00 24.21 O ATOM 1408 OE2 GLU A 87 11.404 1.801 1.476 1.00 2.02 O ATOM 0 H GLU A 87 15.896 1.773 0.391 1.00 31.54 H new ATOM 0 HA GLU A 87 15.070 0.148 2.706 1.00 32.04 H new ATOM 0 HB2 GLU A 87 13.133 1.575 3.069 1.00 52.24 H new ATOM 0 HB3 GLU A 87 14.598 2.518 3.251 1.00 52.24 H new ATOM 0 HG2 GLU A 87 13.294 3.947 1.979 1.00 21.45 H new ATOM 0 HG3 GLU A 87 14.233 3.145 0.736 1.00 21.45 H new ATOM 1415 N LYS A 88 13.352 -1.007 1.307 1.00 61.22 N ATOM 1416 CA LYS A 88 12.518 -1.812 0.422 1.00 43.12 C ATOM 1417 C LYS A 88 11.094 -1.914 0.959 1.00 4.43 C ATOM 1418 O LYS A 88 10.667 -2.973 1.416 1.00 2.13 O ATOM 1419 CB LYS A 88 13.114 -3.212 0.259 1.00 5.10 C ATOM 1420 CG LYS A 88 12.315 -4.109 -0.670 1.00 63.12 C ATOM 1421 CD LYS A 88 12.098 -5.486 -0.066 1.00 21.05 C ATOM 1422 CE LYS A 88 11.483 -6.446 -1.072 1.00 64.23 C ATOM 1423 NZ LYS A 88 11.880 -7.857 -0.807 1.00 42.22 N ATOM 0 H LYS A 88 13.429 -1.368 2.258 1.00 61.22 H new ATOM 0 HA LYS A 88 12.486 -1.322 -0.551 1.00 43.12 H new ATOM 0 HB2 LYS A 88 14.131 -3.122 -0.122 1.00 5.10 H new ATOM 0 HB3 LYS A 88 13.181 -3.685 1.239 1.00 5.10 H new ATOM 0 HG2 LYS A 88 11.350 -3.648 -0.882 1.00 63.12 H new ATOM 0 HG3 LYS A 88 12.838 -4.206 -1.622 1.00 63.12 H new ATOM 0 HD2 LYS A 88 13.050 -5.885 0.284 1.00 21.05 H new ATOM 0 HD3 LYS A 88 11.447 -5.404 0.805 1.00 21.05 H new ATOM 0 HE2 LYS A 88 10.397 -6.362 -1.037 1.00 64.23 H new ATOM 0 HE3 LYS A 88 11.792 -6.165 -2.079 1.00 64.23 H new ATOM 0 HZ1 LYS A 88 11.440 -8.480 -1.514 1.00 42.22 H new ATOM 0 HZ2 LYS A 88 12.915 -7.943 -0.865 1.00 42.22 H new ATOM 0 HZ3 LYS A 88 11.562 -8.134 0.144 1.00 42.22 H new ATOM 1437 N GLY A 89 10.363 -0.804 0.900 1.00 64.40 N ATOM 1438 CA GLY A 89 8.995 -0.791 1.383 1.00 70.20 C ATOM 1439 C GLY A 89 8.851 -1.463 2.734 1.00 15.11 C ATOM 1440 O GLY A 89 7.903 -2.212 2.964 1.00 35.54 O ATOM 0 H GLY A 89 10.694 0.085 0.526 1.00 64.40 H new ATOM 0 HA2 GLY A 89 8.648 0.240 1.455 1.00 70.20 H new ATOM 0 HA3 GLY A 89 8.353 -1.294 0.660 1.00 70.20 H new ATOM 1444 N GLY A 90 9.795 -1.195 3.631 1.00 62.23 N ATOM 1445 CA GLY A 90 9.751 -1.789 4.954 1.00 4.33 C ATOM 1446 C GLY A 90 10.723 -1.133 5.916 1.00 73.50 C ATOM 1447 O GLY A 90 10.393 -0.137 6.558 1.00 53.13 O ATOM 0 H GLY A 90 10.589 -0.577 3.465 1.00 62.23 H new ATOM 0 HA2 GLY A 90 8.740 -1.708 5.352 1.00 4.33 H new ATOM 0 HA3 GLY A 90 9.980 -2.852 4.880 1.00 4.33 H new ATOM 1451 N GLU A 91 11.923 -1.696 6.017 1.00 42.40 N ATOM 1452 CA GLU A 91 12.944 -1.160 6.910 1.00 60.11 C ATOM 1453 C GLU A 91 14.279 -1.015 6.185 1.00 50.40 C ATOM 1454 O GLU A 91 14.510 -1.608 5.132 1.00 70.45 O ATOM 1455 CB GLU A 91 13.111 -2.066 8.132 1.00 72.03 C ATOM 1456 CG GLU A 91 12.823 -3.531 7.847 1.00 2.42 C ATOM 1457 CD GLU A 91 13.497 -4.460 8.838 1.00 74.52 C ATOM 1458 OE1 GLU A 91 13.901 -5.569 8.429 1.00 23.11 O ATOM 1459 OE2 GLU A 91 13.619 -4.080 10.021 1.00 75.32 O ATOM 0 H GLU A 91 12.212 -2.522 5.492 1.00 42.40 H new ATOM 0 HA GLU A 91 12.620 -0.173 7.240 1.00 60.11 H new ATOM 0 HB2 GLU A 91 14.130 -1.971 8.508 1.00 72.03 H new ATOM 0 HB3 GLU A 91 12.446 -1.721 8.923 1.00 72.03 H new ATOM 0 HG2 GLU A 91 11.746 -3.698 7.873 1.00 2.42 H new ATOM 0 HG3 GLU A 91 13.159 -3.774 6.839 1.00 2.42 H new ATOM 1466 N PRO A 92 15.180 -0.205 6.761 1.00 14.14 N ATOM 1467 CA PRO A 92 16.507 0.038 6.188 1.00 13.32 C ATOM 1468 C PRO A 92 17.409 -1.188 6.274 1.00 11.01 C ATOM 1469 O PRO A 92 17.761 -1.637 7.366 1.00 45.23 O ATOM 1470 CB PRO A 92 17.063 1.173 7.052 1.00 44.25 C ATOM 1471 CG PRO A 92 16.346 1.048 8.351 1.00 73.21 C ATOM 1472 CD PRO A 92 14.972 0.535 8.017 1.00 10.15 C ATOM 0 HA PRO A 92 16.455 0.278 5.126 1.00 13.32 H new ATOM 0 HB2 PRO A 92 18.141 1.078 7.184 1.00 44.25 H new ATOM 0 HB3 PRO A 92 16.883 2.145 6.592 1.00 44.25 H new ATOM 0 HG2 PRO A 92 16.867 0.363 9.020 1.00 73.21 H new ATOM 0 HG3 PRO A 92 16.290 2.010 8.860 1.00 73.21 H new ATOM 0 HD2 PRO A 92 14.582 -0.111 8.804 1.00 10.15 H new ATOM 0 HD3 PRO A 92 14.259 1.349 7.890 1.00 10.15 H new ATOM 1480 N LEU A 93 17.780 -1.726 5.118 1.00 51.25 N ATOM 1481 CA LEU A 93 18.642 -2.901 5.062 1.00 64.11 C ATOM 1482 C LEU A 93 20.066 -2.514 4.675 1.00 1.22 C ATOM 1483 O LEU A 93 21.018 -3.234 4.971 1.00 25.15 O ATOM 1484 CB LEU A 93 18.089 -3.918 4.062 1.00 53.51 C ATOM 1485 CG LEU A 93 18.619 -5.346 4.193 1.00 43.41 C ATOM 1486 CD1 LEU A 93 18.255 -5.928 5.550 1.00 75.25 C ATOM 1487 CD2 LEU A 93 18.078 -6.221 3.072 1.00 41.43 C ATOM 0 H LEU A 93 17.497 -1.367 4.206 1.00 51.25 H new ATOM 0 HA LEU A 93 18.664 -3.352 6.054 1.00 64.11 H new ATOM 0 HB2 LEU A 93 17.004 -3.944 4.163 1.00 53.51 H new ATOM 0 HB3 LEU A 93 18.307 -3.562 3.055 1.00 53.51 H new ATOM 0 HG LEU A 93 19.706 -5.319 4.112 1.00 43.41 H new ATOM 0 HD11 LEU A 93 18.640 -6.945 5.625 1.00 75.25 H new ATOM 0 HD12 LEU A 93 18.692 -5.315 6.338 1.00 75.25 H new ATOM 0 HD13 LEU A 93 17.171 -5.942 5.661 1.00 75.25 H new ATOM 0 HD21 LEU A 93 18.466 -7.234 3.181 1.00 41.43 H new ATOM 0 HD22 LEU A 93 16.989 -6.242 3.120 1.00 41.43 H new ATOM 0 HD23 LEU A 93 18.391 -5.815 2.110 1.00 41.43 H new ATOM 1499 N GLY A 94 20.204 -1.369 4.013 1.00 74.11 N ATOM 1500 CA GLY A 94 21.515 -0.905 3.598 1.00 14.34 C ATOM 1501 C GLY A 94 21.822 0.491 4.104 1.00 20.33 C ATOM 1502 O GLY A 94 20.912 1.271 4.383 1.00 61.21 O ATOM 0 H GLY A 94 19.431 -0.755 3.757 1.00 74.11 H new ATOM 0 HA2 GLY A 94 22.274 -1.596 3.964 1.00 14.34 H new ATOM 0 HA3 GLY A 94 21.573 -0.915 2.510 1.00 14.34 H new ATOM 1506 N GLU A 95 23.108 0.805 4.225 1.00 61.02 N ATOM 1507 CA GLU A 95 23.532 2.115 4.703 1.00 10.55 C ATOM 1508 C GLU A 95 25.023 2.328 4.458 1.00 51.54 C ATOM 1509 O GLU A 95 25.824 1.403 4.592 1.00 41.43 O ATOM 1510 CB GLU A 95 23.224 2.262 6.195 1.00 12.50 C ATOM 1511 CG GLU A 95 24.169 1.481 7.092 1.00 62.02 C ATOM 1512 CD GLU A 95 23.450 0.778 8.226 1.00 34.13 C ATOM 1513 OE1 GLU A 95 22.497 1.367 8.779 1.00 3.24 O ATOM 1514 OE2 GLU A 95 23.838 -0.360 8.561 1.00 22.42 O ATOM 0 H GLU A 95 23.874 0.170 3.999 1.00 61.02 H new ATOM 0 HA GLU A 95 22.978 2.872 4.148 1.00 10.55 H new ATOM 0 HB2 GLU A 95 23.270 3.317 6.464 1.00 12.50 H new ATOM 0 HB3 GLU A 95 22.203 1.930 6.381 1.00 12.50 H new ATOM 0 HG2 GLU A 95 24.705 0.744 6.494 1.00 62.02 H new ATOM 0 HG3 GLU A 95 24.915 2.159 7.505 1.00 62.02 H new ATOM 1521 N VAL A 96 25.388 3.554 4.096 1.00 11.52 N ATOM 1522 CA VAL A 96 26.782 3.890 3.832 1.00 52.53 C ATOM 1523 C VAL A 96 27.071 5.347 4.176 1.00 52.33 C ATOM 1524 O VAL A 96 26.207 6.214 4.034 1.00 24.53 O ATOM 1525 CB VAL A 96 27.149 3.640 2.357 1.00 25.01 C ATOM 1526 CG1 VAL A 96 28.603 4.006 2.100 1.00 63.34 C ATOM 1527 CG2 VAL A 96 26.881 2.191 1.980 1.00 32.12 C ATOM 0 H VAL A 96 24.738 4.331 3.979 1.00 11.52 H new ATOM 0 HA VAL A 96 27.389 3.243 4.465 1.00 52.53 H new ATOM 0 HB VAL A 96 26.523 4.276 1.731 1.00 25.01 H new ATOM 0 HG11 VAL A 96 28.845 3.823 1.053 1.00 63.34 H new ATOM 0 HG12 VAL A 96 28.759 5.060 2.329 1.00 63.34 H new ATOM 0 HG13 VAL A 96 29.249 3.398 2.733 1.00 63.34 H new ATOM 0 HG21 VAL A 96 27.146 2.032 0.935 1.00 32.12 H new ATOM 0 HG22 VAL A 96 27.481 1.534 2.610 1.00 32.12 H new ATOM 0 HG23 VAL A 96 25.824 1.967 2.125 1.00 32.12 H new ATOM 1537 N LYS A 97 28.292 5.612 4.628 1.00 32.42 N ATOM 1538 CA LYS A 97 28.698 6.964 4.992 1.00 55.15 C ATOM 1539 C LYS A 97 30.048 7.311 4.374 1.00 5.22 C ATOM 1540 O LYS A 97 31.097 7.045 4.960 1.00 34.45 O ATOM 1541 CB LYS A 97 28.769 7.106 6.514 1.00 71.34 C ATOM 1542 CG LYS A 97 27.594 6.472 7.239 1.00 5.32 C ATOM 1543 CD LYS A 97 28.017 5.230 8.005 1.00 34.23 C ATOM 1544 CE LYS A 97 28.087 5.494 9.501 1.00 13.54 C ATOM 1545 NZ LYS A 97 27.640 4.316 10.295 1.00 65.23 N ATOM 0 H LYS A 97 29.019 4.907 4.751 1.00 32.42 H new ATOM 0 HA LYS A 97 27.952 7.657 4.604 1.00 55.15 H new ATOM 0 HB2 LYS A 97 29.693 6.651 6.870 1.00 71.34 H new ATOM 0 HB3 LYS A 97 28.815 8.164 6.770 1.00 71.34 H new ATOM 0 HG2 LYS A 97 27.157 7.195 7.928 1.00 5.32 H new ATOM 0 HG3 LYS A 97 26.819 6.210 6.519 1.00 5.32 H new ATOM 0 HD2 LYS A 97 27.311 4.423 7.810 1.00 34.23 H new ATOM 0 HD3 LYS A 97 28.991 4.895 7.648 1.00 34.23 H new ATOM 0 HE2 LYS A 97 29.110 5.751 9.777 1.00 13.54 H new ATOM 0 HE3 LYS A 97 27.465 6.355 9.747 1.00 13.54 H new ATOM 0 HZ1 LYS A 97 27.703 4.537 11.309 1.00 65.23 H new ATOM 0 HZ2 LYS A 97 26.655 4.086 10.051 1.00 65.23 H new ATOM 0 HZ3 LYS A 97 28.249 3.501 10.080 1.00 65.23 H new ATOM 1559 N GLY A 98 30.016 7.909 3.187 1.00 53.10 N ATOM 1560 CA GLY A 98 31.244 8.284 2.511 1.00 10.11 C ATOM 1561 C GLY A 98 31.092 8.308 1.003 1.00 12.31 C ATOM 1562 O GLY A 98 30.217 7.654 0.435 1.00 13.25 O ATOM 0 H GLY A 98 29.161 8.141 2.681 1.00 53.10 H new ATOM 0 HA2 GLY A 98 31.559 9.268 2.857 1.00 10.11 H new ATOM 0 HA3 GLY A 98 32.033 7.583 2.782 1.00 10.11 H new ATOM 1566 N PRO A 99 31.958 9.079 0.329 1.00 2.34 N ATOM 1567 CA PRO A 99 31.936 9.206 -1.131 1.00 35.21 C ATOM 1568 C PRO A 99 32.379 7.926 -1.831 1.00 24.34 C ATOM 1569 O PRO A 99 33.575 7.669 -1.976 1.00 54.14 O ATOM 1570 CB PRO A 99 32.930 10.337 -1.404 1.00 52.04 C ATOM 1571 CG PRO A 99 33.855 10.318 -0.237 1.00 44.32 C ATOM 1572 CD PRO A 99 33.027 9.887 0.941 1.00 21.52 C ATOM 0 HA PRO A 99 30.932 9.403 -1.508 1.00 35.21 H new ATOM 0 HB2 PRO A 99 33.468 10.175 -2.338 1.00 52.04 H new ATOM 0 HB3 PRO A 99 32.422 11.298 -1.491 1.00 52.04 H new ATOM 0 HG2 PRO A 99 34.682 9.628 -0.406 1.00 44.32 H new ATOM 0 HG3 PRO A 99 34.291 11.303 -0.068 1.00 44.32 H new ATOM 0 HD2 PRO A 99 33.613 9.305 1.653 1.00 21.52 H new ATOM 0 HD3 PRO A 99 32.624 10.742 1.483 1.00 21.52 H new ATOM 1580 N ASP A 100 31.410 7.126 -2.262 1.00 1.31 N ATOM 1581 CA ASP A 100 31.701 5.873 -2.948 1.00 63.11 C ATOM 1582 C ASP A 100 30.681 5.607 -4.051 1.00 2.51 C ATOM 1583 O ASP A 100 30.086 4.531 -4.113 1.00 40.32 O ATOM 1584 CB ASP A 100 31.709 4.712 -1.953 1.00 32.41 C ATOM 1585 CG ASP A 100 30.344 4.465 -1.340 1.00 41.42 C ATOM 1586 OD1 ASP A 100 30.161 3.406 -0.705 1.00 30.32 O ATOM 1587 OD2 ASP A 100 29.459 5.333 -1.495 1.00 64.33 O ATOM 0 H ASP A 100 30.416 7.323 -2.148 1.00 1.31 H new ATOM 0 HA ASP A 100 32.688 5.958 -3.403 1.00 63.11 H new ATOM 0 HB2 ASP A 100 32.046 3.807 -2.458 1.00 32.41 H new ATOM 0 HB3 ASP A 100 32.427 4.921 -1.160 1.00 32.41 H new ATOM 1592 N ILE A 101 30.484 6.595 -4.918 1.00 10.14 N ATOM 1593 CA ILE A 101 29.536 6.468 -6.017 1.00 70.34 C ATOM 1594 C ILE A 101 29.882 5.278 -6.907 1.00 2.34 C ATOM 1595 O ILE A 101 29.005 4.679 -7.528 1.00 71.33 O ATOM 1596 CB ILE A 101 29.498 7.744 -6.878 1.00 52.15 C ATOM 1597 CG1 ILE A 101 28.867 8.896 -6.094 1.00 1.23 C ATOM 1598 CG2 ILE A 101 28.730 7.491 -8.167 1.00 71.11 C ATOM 1599 CD1 ILE A 101 27.411 8.670 -5.754 1.00 34.12 C ATOM 0 H ILE A 101 30.968 7.492 -4.880 1.00 10.14 H new ATOM 0 HA ILE A 101 28.554 6.312 -5.570 1.00 70.34 H new ATOM 0 HB ILE A 101 30.520 8.021 -7.135 1.00 52.15 H new ATOM 0 HG12 ILE A 101 29.428 9.047 -5.172 1.00 1.23 H new ATOM 0 HG13 ILE A 101 28.958 9.813 -6.676 1.00 1.23 H new ATOM 0 HG21 ILE A 101 28.712 8.402 -8.765 1.00 71.11 H new ATOM 0 HG22 ILE A 101 29.218 6.696 -8.731 1.00 71.11 H new ATOM 0 HG23 ILE A 101 27.709 7.193 -7.930 1.00 71.11 H new ATOM 0 HD11 ILE A 101 27.030 9.527 -5.198 1.00 34.12 H new ATOM 0 HD12 ILE A 101 26.837 8.549 -6.673 1.00 34.12 H new ATOM 0 HD13 ILE A 101 27.315 7.771 -5.145 1.00 34.12 H new ATOM 1611 N ASP A 102 31.166 4.941 -6.961 1.00 0.22 N ATOM 1612 CA ASP A 102 31.629 3.821 -7.772 1.00 31.04 C ATOM 1613 C ASP A 102 31.348 2.493 -7.075 1.00 13.20 C ATOM 1614 O ASP A 102 31.111 1.476 -7.726 1.00 62.44 O ATOM 1615 CB ASP A 102 33.126 3.954 -8.057 1.00 55.41 C ATOM 1616 CG ASP A 102 33.404 4.668 -9.365 1.00 50.04 C ATOM 1617 OD1 ASP A 102 32.747 5.697 -9.632 1.00 64.41 O ATOM 1618 OD2 ASP A 102 34.279 4.199 -10.122 1.00 61.52 O ATOM 0 H ASP A 102 31.905 5.427 -6.453 1.00 0.22 H new ATOM 0 HA ASP A 102 31.084 3.838 -8.716 1.00 31.04 H new ATOM 0 HB2 ASP A 102 33.601 4.498 -7.241 1.00 55.41 H new ATOM 0 HB3 ASP A 102 33.577 2.962 -8.084 1.00 55.41 H new ATOM 1623 N LYS A 103 31.376 2.510 -5.747 1.00 1.23 N ATOM 1624 CA LYS A 103 31.124 1.309 -4.960 1.00 63.31 C ATOM 1625 C LYS A 103 29.631 1.124 -4.712 1.00 74.55 C ATOM 1626 O LYS A 103 29.177 0.027 -4.380 1.00 41.54 O ATOM 1627 CB LYS A 103 31.868 1.383 -3.625 1.00 1.23 C ATOM 1628 CG LYS A 103 32.280 0.026 -3.081 1.00 42.14 C ATOM 1629 CD LYS A 103 33.162 0.162 -1.851 1.00 54.12 C ATOM 1630 CE LYS A 103 32.384 -0.117 -0.574 1.00 54.14 C ATOM 1631 NZ LYS A 103 33.266 -0.621 0.514 1.00 61.31 N ATOM 0 H LYS A 103 31.571 3.344 -5.192 1.00 1.23 H new ATOM 0 HA LYS A 103 31.489 0.452 -5.525 1.00 63.31 H new ATOM 0 HB2 LYS A 103 32.758 2.001 -3.748 1.00 1.23 H new ATOM 0 HB3 LYS A 103 31.233 1.881 -2.892 1.00 1.23 H new ATOM 0 HG2 LYS A 103 31.390 -0.551 -2.830 1.00 42.14 H new ATOM 0 HG3 LYS A 103 32.813 -0.530 -3.852 1.00 42.14 H new ATOM 0 HD2 LYS A 103 34.001 -0.530 -1.925 1.00 54.12 H new ATOM 0 HD3 LYS A 103 33.580 1.168 -1.811 1.00 54.12 H new ATOM 0 HE2 LYS A 103 31.887 0.796 -0.245 1.00 54.14 H new ATOM 0 HE3 LYS A 103 31.603 -0.850 -0.777 1.00 54.14 H new ATOM 0 HZ1 LYS A 103 32.698 -0.799 1.367 1.00 61.31 H new ATOM 0 HZ2 LYS A 103 33.721 -1.505 0.210 1.00 61.31 H new ATOM 0 HZ3 LYS A 103 33.996 0.089 0.726 1.00 61.31 H new ATOM 1645 N LEU A 104 28.870 2.200 -4.877 1.00 44.42 N ATOM 1646 CA LEU A 104 27.427 2.156 -4.673 1.00 53.30 C ATOM 1647 C LEU A 104 26.786 1.082 -5.546 1.00 31.12 C ATOM 1648 O LEU A 104 25.715 0.566 -5.226 1.00 73.03 O ATOM 1649 CB LEU A 104 26.806 3.519 -4.984 1.00 11.31 C ATOM 1650 CG LEU A 104 25.299 3.640 -4.751 1.00 64.42 C ATOM 1651 CD1 LEU A 104 25.017 4.359 -3.441 1.00 63.32 C ATOM 1652 CD2 LEU A 104 24.636 4.365 -5.913 1.00 65.33 C ATOM 0 H LEU A 104 29.229 3.114 -5.152 1.00 44.42 H new ATOM 0 HA LEU A 104 27.240 1.908 -3.628 1.00 53.30 H new ATOM 0 HB2 LEU A 104 27.309 4.272 -4.377 1.00 11.31 H new ATOM 0 HB3 LEU A 104 27.013 3.760 -6.027 1.00 11.31 H new ATOM 0 HG LEU A 104 24.879 2.636 -4.688 1.00 64.42 H new ATOM 0 HD11 LEU A 104 23.940 4.436 -3.293 1.00 63.32 H new ATOM 0 HD12 LEU A 104 25.458 3.799 -2.616 1.00 63.32 H new ATOM 0 HD13 LEU A 104 25.451 5.358 -3.474 1.00 63.32 H new ATOM 0 HD21 LEU A 104 23.564 4.442 -5.730 1.00 65.33 H new ATOM 0 HD22 LEU A 104 25.060 5.364 -6.008 1.00 65.33 H new ATOM 0 HD23 LEU A 104 24.808 3.809 -6.835 1.00 65.33 H new ATOM 1664 N ARG A 105 27.450 0.748 -6.648 1.00 12.33 N ATOM 1665 CA ARG A 105 26.945 -0.265 -7.566 1.00 65.51 C ATOM 1666 C ARG A 105 27.086 -1.661 -6.966 1.00 22.24 C ATOM 1667 O ARG A 105 26.263 -2.541 -7.217 1.00 2.30 O ATOM 1668 CB ARG A 105 27.693 -0.194 -8.899 1.00 24.33 C ATOM 1669 CG ARG A 105 29.119 -0.715 -8.825 1.00 64.14 C ATOM 1670 CD ARG A 105 29.959 -0.204 -9.986 1.00 23.44 C ATOM 1671 NE ARG A 105 31.216 -0.937 -10.116 1.00 72.31 N ATOM 1672 CZ ARG A 105 31.986 -0.888 -11.197 1.00 62.51 C ATOM 1673 NH1 ARG A 105 31.631 -0.145 -12.236 1.00 34.03 N ATOM 1674 NH2 ARG A 105 33.115 -1.584 -11.240 1.00 44.05 N ATOM 0 H ARG A 105 28.339 1.164 -6.926 1.00 12.33 H new ATOM 0 HA ARG A 105 25.887 -0.067 -7.739 1.00 65.51 H new ATOM 0 HB2 ARG A 105 27.144 -0.768 -9.645 1.00 24.33 H new ATOM 0 HB3 ARG A 105 27.710 0.841 -9.242 1.00 24.33 H new ATOM 0 HG2 ARG A 105 29.572 -0.406 -7.883 1.00 64.14 H new ATOM 0 HG3 ARG A 105 29.110 -1.805 -8.833 1.00 64.14 H new ATOM 0 HD2 ARG A 105 29.390 -0.293 -10.912 1.00 23.44 H new ATOM 0 HD3 ARG A 105 30.170 0.856 -9.842 1.00 23.44 H new ATOM 0 HE ARG A 105 31.519 -1.518 -9.334 1.00 72.31 H new ATOM 0 HH11 ARG A 105 30.764 0.391 -12.207 1.00 34.03 H new ATOM 0 HH12 ARG A 105 32.225 -0.110 -13.065 1.00 34.03 H new ATOM 0 HH21 ARG A 105 33.392 -2.157 -10.443 1.00 44.05 H new ATOM 0 HH22 ARG A 105 33.706 -1.546 -12.070 1.00 44.05 H new ATOM 1688 N GLU A 106 28.135 -1.856 -6.172 1.00 13.51 N ATOM 1689 CA GLU A 106 28.383 -3.145 -5.537 1.00 41.33 C ATOM 1690 C GLU A 106 27.761 -3.194 -4.145 1.00 23.34 C ATOM 1691 O GLU A 106 27.489 -4.270 -3.611 1.00 23.41 O ATOM 1692 CB GLU A 106 29.887 -3.412 -5.446 1.00 51.02 C ATOM 1693 CG GLU A 106 30.622 -2.447 -4.532 1.00 44.40 C ATOM 1694 CD GLU A 106 31.987 -2.961 -4.117 1.00 30.33 C ATOM 1695 OE1 GLU A 106 32.958 -2.741 -4.870 1.00 41.34 O ATOM 1696 OE2 GLU A 106 32.084 -3.584 -3.039 1.00 71.40 O ATOM 0 H GLU A 106 28.826 -1.138 -5.954 1.00 13.51 H new ATOM 0 HA GLU A 106 27.920 -3.919 -6.150 1.00 41.33 H new ATOM 0 HB2 GLU A 106 30.046 -4.430 -5.089 1.00 51.02 H new ATOM 0 HB3 GLU A 106 30.319 -3.353 -6.445 1.00 51.02 H new ATOM 0 HG2 GLU A 106 30.737 -1.489 -5.039 1.00 44.40 H new ATOM 0 HG3 GLU A 106 30.020 -2.266 -3.642 1.00 44.40 H new ATOM 1703 N THR A 107 27.539 -2.021 -3.560 1.00 31.20 N ATOM 1704 CA THR A 107 26.951 -1.930 -2.229 1.00 43.44 C ATOM 1705 C THR A 107 25.435 -2.072 -2.287 1.00 73.21 C ATOM 1706 O THR A 107 24.817 -2.615 -1.371 1.00 34.55 O ATOM 1707 CB THR A 107 27.304 -0.593 -1.550 1.00 43.12 C ATOM 1708 OG1 THR A 107 28.649 -0.220 -1.872 1.00 51.11 O ATOM 1709 CG2 THR A 107 27.149 -0.695 -0.040 1.00 73.34 C ATOM 0 H THR A 107 27.758 -1.121 -3.987 1.00 31.20 H new ATOM 0 HA THR A 107 27.368 -2.749 -1.642 1.00 43.44 H new ATOM 0 HB THR A 107 26.617 0.169 -1.919 1.00 43.12 H new ATOM 0 HG1 THR A 107 28.683 0.122 -2.790 1.00 51.11 H new ATOM 0 HG21 THR A 107 27.404 0.261 0.417 1.00 73.34 H new ATOM 0 HG22 THR A 107 26.118 -0.950 0.203 1.00 73.34 H new ATOM 0 HG23 THR A 107 27.814 -1.469 0.343 1.00 73.34 H new ATOM 1717 N LEU A 108 24.840 -1.582 -3.369 1.00 71.32 N ATOM 1718 CA LEU A 108 23.394 -1.656 -3.547 1.00 32.00 C ATOM 1719 C LEU A 108 22.987 -2.996 -4.153 1.00 3.44 C ATOM 1720 O LEU A 108 21.852 -3.443 -3.990 1.00 11.23 O ATOM 1721 CB LEU A 108 22.911 -0.512 -4.440 1.00 60.03 C ATOM 1722 CG LEU A 108 22.754 -0.840 -5.925 1.00 64.45 C ATOM 1723 CD1 LEU A 108 21.358 -1.371 -6.210 1.00 70.24 C ATOM 1724 CD2 LEU A 108 23.044 0.387 -6.777 1.00 2.34 C ATOM 0 H LEU A 108 25.337 -1.129 -4.136 1.00 71.32 H new ATOM 0 HA LEU A 108 22.927 -1.565 -2.566 1.00 32.00 H new ATOM 0 HB2 LEU A 108 21.950 -0.164 -4.062 1.00 60.03 H new ATOM 0 HB3 LEU A 108 23.611 0.318 -4.344 1.00 60.03 H new ATOM 0 HG LEU A 108 23.475 -1.615 -6.184 1.00 64.45 H new ATOM 0 HD11 LEU A 108 21.265 -1.599 -7.272 1.00 70.24 H new ATOM 0 HD12 LEU A 108 21.187 -2.277 -5.628 1.00 70.24 H new ATOM 0 HD13 LEU A 108 20.619 -0.618 -5.934 1.00 70.24 H new ATOM 0 HD21 LEU A 108 22.927 0.134 -7.831 1.00 2.34 H new ATOM 0 HD22 LEU A 108 22.348 1.184 -6.516 1.00 2.34 H new ATOM 0 HD23 LEU A 108 24.065 0.723 -6.596 1.00 2.34 H new ATOM 1736 N ASP A 109 23.922 -3.632 -4.850 1.00 2.14 N ATOM 1737 CA ASP A 109 23.663 -4.922 -5.477 1.00 34.50 C ATOM 1738 C ASP A 109 23.625 -6.036 -4.435 1.00 15.45 C ATOM 1739 O ASP A 109 22.680 -6.823 -4.389 1.00 24.32 O ATOM 1740 CB ASP A 109 24.732 -5.227 -6.528 1.00 34.14 C ATOM 1741 CG ASP A 109 24.953 -6.715 -6.714 1.00 32.31 C ATOM 1742 OD1 ASP A 109 26.028 -7.210 -6.315 1.00 62.12 O ATOM 1743 OD2 ASP A 109 24.050 -7.385 -7.257 1.00 63.35 O ATOM 0 H ASP A 109 24.866 -3.275 -4.995 1.00 2.14 H new ATOM 0 HA ASP A 109 22.689 -4.871 -5.964 1.00 34.50 H new ATOM 0 HB2 ASP A 109 24.438 -4.785 -7.480 1.00 34.14 H new ATOM 0 HB3 ASP A 109 25.671 -4.757 -6.234 1.00 34.14 H new ATOM 1748 N GLU A 110 24.658 -6.094 -3.600 1.00 40.13 N ATOM 1749 CA GLU A 110 24.743 -7.112 -2.560 1.00 34.10 C ATOM 1750 C GLU A 110 23.493 -7.100 -1.684 1.00 1.11 C ATOM 1751 O GLU A 110 23.151 -8.103 -1.056 1.00 63.11 O ATOM 1752 CB GLU A 110 25.986 -6.889 -1.697 1.00 22.11 C ATOM 1753 CG GLU A 110 27.287 -6.929 -2.482 1.00 13.54 C ATOM 1754 CD GLU A 110 27.879 -8.322 -2.559 1.00 24.12 C ATOM 1755 OE1 GLU A 110 27.100 -9.298 -2.574 1.00 13.31 O ATOM 1756 OE2 GLU A 110 29.122 -8.437 -2.604 1.00 31.40 O ATOM 0 H GLU A 110 25.447 -5.448 -3.624 1.00 40.13 H new ATOM 0 HA GLU A 110 24.817 -8.085 -3.045 1.00 34.10 H new ATOM 0 HB2 GLU A 110 25.903 -5.924 -1.197 1.00 22.11 H new ATOM 0 HB3 GLU A 110 26.018 -7.650 -0.917 1.00 22.11 H new ATOM 0 HG2 GLU A 110 27.110 -6.557 -3.491 1.00 13.54 H new ATOM 0 HG3 GLU A 110 28.008 -6.257 -2.017 1.00 13.54 H new ATOM 1763 N LEU A 111 22.816 -5.958 -1.646 1.00 53.10 N ATOM 1764 CA LEU A 111 21.604 -5.813 -0.847 1.00 31.32 C ATOM 1765 C LEU A 111 20.360 -6.056 -1.695 1.00 72.32 C ATOM 1766 O LEU A 111 19.469 -6.813 -1.307 1.00 71.44 O ATOM 1767 CB LEU A 111 21.545 -4.418 -0.222 1.00 73.23 C ATOM 1768 CG LEU A 111 20.167 -3.952 0.250 1.00 21.21 C ATOM 1769 CD1 LEU A 111 20.297 -3.057 1.473 1.00 54.14 C ATOM 1770 CD2 LEU A 111 19.437 -3.226 -0.870 1.00 54.11 C ATOM 0 H LEU A 111 23.086 -5.119 -2.159 1.00 53.10 H new ATOM 0 HA LEU A 111 21.631 -6.559 -0.053 1.00 31.32 H new ATOM 0 HB2 LEU A 111 22.226 -4.394 0.629 1.00 73.23 H new ATOM 0 HB3 LEU A 111 21.920 -3.699 -0.951 1.00 73.23 H new ATOM 0 HG LEU A 111 19.583 -4.829 0.528 1.00 21.21 H new ATOM 0 HD11 LEU A 111 19.307 -2.735 1.795 1.00 54.14 H new ATOM 0 HD12 LEU A 111 20.779 -3.610 2.279 1.00 54.14 H new ATOM 0 HD13 LEU A 111 20.899 -2.184 1.222 1.00 54.14 H new ATOM 0 HD21 LEU A 111 18.458 -2.902 -0.516 1.00 54.11 H new ATOM 0 HD22 LEU A 111 20.018 -2.357 -1.179 1.00 54.11 H new ATOM 0 HD23 LEU A 111 19.311 -3.899 -1.718 1.00 54.11 H new ATOM 1782 N LEU A 112 20.306 -5.411 -2.855 1.00 61.53 N ATOM 1783 CA LEU A 112 19.172 -5.559 -3.761 1.00 30.01 C ATOM 1784 C LEU A 112 19.029 -7.006 -4.223 1.00 40.54 C ATOM 1785 O LEU A 112 17.958 -7.424 -4.663 1.00 25.12 O ATOM 1786 CB LEU A 112 19.338 -4.639 -4.971 1.00 54.44 C ATOM 1787 CG LEU A 112 18.091 -4.431 -5.832 1.00 61.24 C ATOM 1788 CD1 LEU A 112 16.932 -3.934 -4.983 1.00 1.43 C ATOM 1789 CD2 LEU A 112 18.381 -3.457 -6.965 1.00 62.20 C ATOM 0 H LEU A 112 21.034 -4.780 -3.191 1.00 61.53 H new ATOM 0 HA LEU A 112 18.268 -5.279 -3.221 1.00 30.01 H new ATOM 0 HB2 LEU A 112 19.678 -3.665 -4.618 1.00 54.44 H new ATOM 0 HB3 LEU A 112 20.129 -5.043 -5.603 1.00 54.44 H new ATOM 0 HG LEU A 112 17.810 -5.390 -6.267 1.00 61.24 H new ATOM 0 HD11 LEU A 112 16.054 -3.792 -5.613 1.00 1.43 H new ATOM 0 HD12 LEU A 112 16.708 -4.667 -4.208 1.00 1.43 H new ATOM 0 HD13 LEU A 112 17.202 -2.986 -4.518 1.00 1.43 H new ATOM 0 HD21 LEU A 112 17.483 -3.321 -7.567 1.00 62.20 H new ATOM 0 HD22 LEU A 112 18.688 -2.497 -6.550 1.00 62.20 H new ATOM 0 HD23 LEU A 112 19.180 -3.854 -7.591 1.00 62.20 H new ATOM 1801 N ALA A 113 20.115 -7.765 -4.119 1.00 52.31 N ATOM 1802 CA ALA A 113 20.109 -9.165 -4.523 1.00 22.35 C ATOM 1803 C ALA A 113 19.017 -9.942 -3.795 1.00 2.13 C ATOM 1804 O ALA A 113 18.534 -10.961 -4.287 1.00 71.34 O ATOM 1805 CB ALA A 113 21.470 -9.795 -4.263 1.00 12.14 C ATOM 0 H ALA A 113 21.010 -7.434 -3.758 1.00 52.31 H new ATOM 0 HA ALA A 113 19.898 -9.208 -5.592 1.00 22.35 H new ATOM 0 HB1 ALA A 113 21.451 -10.841 -4.569 1.00 12.14 H new ATOM 0 HB2 ALA A 113 22.232 -9.263 -4.833 1.00 12.14 H new ATOM 0 HB3 ALA A 113 21.703 -9.732 -3.200 1.00 12.14 H new ATOM 1811 N ARG A 114 18.633 -9.454 -2.620 1.00 5.24 N ATOM 1812 CA ARG A 114 17.600 -10.104 -1.823 1.00 54.32 C ATOM 1813 C ARG A 114 16.307 -10.244 -2.621 1.00 74.21 C ATOM 1814 O ARG A 114 15.683 -11.306 -2.631 1.00 71.42 O ATOM 1815 CB ARG A 114 17.337 -9.309 -0.543 1.00 4.14 C ATOM 1816 CG ARG A 114 17.140 -10.182 0.686 1.00 2.42 C ATOM 1817 CD ARG A 114 18.206 -9.912 1.737 1.00 34.44 C ATOM 1818 NE ARG A 114 17.755 -10.274 3.079 1.00 71.14 N ATOM 1819 CZ ARG A 114 18.558 -10.321 4.136 1.00 73.52 C ATOM 1820 NH1 ARG A 114 19.845 -10.031 4.008 1.00 21.23 N ATOM 1821 NH2 ARG A 114 18.073 -10.659 5.324 1.00 71.31 N ATOM 0 H ARG A 114 19.022 -8.610 -2.199 1.00 5.24 H new ATOM 0 HA ARG A 114 17.954 -11.100 -1.558 1.00 54.32 H new ATOM 0 HB2 ARG A 114 18.173 -8.632 -0.367 1.00 4.14 H new ATOM 0 HB3 ARG A 114 16.451 -8.691 -0.685 1.00 4.14 H new ATOM 0 HG2 ARG A 114 16.153 -9.997 1.111 1.00 2.42 H new ATOM 0 HG3 ARG A 114 17.171 -11.232 0.396 1.00 2.42 H new ATOM 0 HD2 ARG A 114 19.107 -10.475 1.493 1.00 34.44 H new ATOM 0 HD3 ARG A 114 18.475 -8.856 1.717 1.00 34.44 H new ATOM 0 HE ARG A 114 16.770 -10.503 3.211 1.00 71.14 H new ATOM 0 HH11 ARG A 114 20.221 -9.771 3.096 1.00 21.23 H new ATOM 0 HH12 ARG A 114 20.459 -10.068 4.821 1.00 21.23 H new ATOM 0 HH21 ARG A 114 17.083 -10.883 5.426 1.00 71.31 H new ATOM 0 HH22 ARG A 114 18.690 -10.695 6.135 1.00 71.31 H new ATOM 1835 N LEU A 115 15.909 -9.166 -3.288 1.00 62.41 N ATOM 1836 CA LEU A 115 14.690 -9.169 -4.089 1.00 51.40 C ATOM 1837 C LEU A 115 14.946 -9.766 -5.469 1.00 33.52 C ATOM 1838 O LEU A 115 14.179 -10.602 -5.945 1.00 35.31 O ATOM 1839 CB LEU A 115 14.146 -7.746 -4.230 1.00 2.20 C ATOM 1840 CG LEU A 115 13.084 -7.537 -5.310 1.00 42.01 C ATOM 1841 CD1 LEU A 115 11.995 -6.598 -4.814 1.00 25.21 C ATOM 1842 CD2 LEU A 115 13.718 -6.996 -6.584 1.00 11.05 C ATOM 0 H LEU A 115 16.413 -8.279 -3.290 1.00 62.41 H new ATOM 0 HA LEU A 115 13.951 -9.786 -3.578 1.00 51.40 H new ATOM 0 HB2 LEU A 115 13.725 -7.443 -3.271 1.00 2.20 H new ATOM 0 HB3 LEU A 115 14.982 -7.078 -4.437 1.00 2.20 H new ATOM 0 HG LEU A 115 12.628 -8.501 -5.536 1.00 42.01 H new ATOM 0 HD11 LEU A 115 11.248 -6.461 -5.596 1.00 25.21 H new ATOM 0 HD12 LEU A 115 11.521 -7.025 -3.930 1.00 25.21 H new ATOM 0 HD13 LEU A 115 12.434 -5.634 -4.559 1.00 25.21 H new ATOM 0 HD21 LEU A 115 12.947 -6.853 -7.342 1.00 11.05 H new ATOM 0 HD22 LEU A 115 14.201 -6.042 -6.373 1.00 11.05 H new ATOM 0 HD23 LEU A 115 14.460 -7.705 -6.950 1.00 11.05 H new ATOM 1854 N GLU A 116 16.030 -9.333 -6.104 1.00 62.20 N ATOM 1855 CA GLU A 116 16.387 -9.827 -7.429 1.00 22.44 C ATOM 1856 C GLU A 116 17.224 -11.100 -7.327 1.00 51.44 C ATOM 1857 O GLU A 116 17.171 -11.960 -8.205 1.00 71.22 O ATOM 1858 CB GLU A 116 17.157 -8.758 -8.206 1.00 4.11 C ATOM 1859 CG GLU A 116 17.307 -9.070 -9.685 1.00 54.35 C ATOM 1860 CD GLU A 116 17.949 -7.935 -10.459 1.00 5.11 C ATOM 1861 OE1 GLU A 116 17.976 -8.008 -11.705 1.00 42.25 O ATOM 1862 OE2 GLU A 116 18.426 -6.975 -9.819 1.00 13.45 O ATOM 0 H GLU A 116 16.676 -8.642 -5.723 1.00 62.20 H new ATOM 0 HA GLU A 116 15.466 -10.060 -7.963 1.00 22.44 H new ATOM 0 HB2 GLU A 116 16.646 -7.802 -8.095 1.00 4.11 H new ATOM 0 HB3 GLU A 116 18.147 -8.643 -7.765 1.00 4.11 H new ATOM 0 HG2 GLU A 116 17.909 -9.971 -9.803 1.00 54.35 H new ATOM 0 HG3 GLU A 116 16.326 -9.284 -10.109 1.00 54.35 H new