USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0106 X(o=-0.011,f=-0.078) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -70:sc= -0.262 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 40 SER OG : rot 64:sc= 0.785 USER MOD Single : A 43 LYS NZ :NH3+ 156:sc= -1.28 (180deg=-2.65!) USER MOD Single : A 44 GLN : amide:sc= -0.364 K(o=-0.36,f=-2.8!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.356 X(o=-0.36,f=0.018) USER MOD Single : A 48 SER OG : rot -36:sc= 0.0125 USER MOD Single : A 50 THR OG1 : rot -10:sc= -3.44! USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.11 K(o=-1.1,f=-6.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 141:sc= -0.428 (180deg=-2.49!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.832 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 40:sc= 0.952 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -122:sc= -0.598 (180deg=-3.71!) USER MOD ----------------------------------------------------------------- ATOM 154 N GLU A 16 11.575 9.011 -9.157 1.00 0.00 N ATOM 155 CA GLU A 16 10.649 7.987 -9.608 1.00 0.00 C ATOM 156 C GLU A 16 9.948 7.341 -8.411 1.00 0.00 C ATOM 157 O GLU A 16 10.482 7.335 -7.303 1.00 0.00 O ATOM 158 CB GLU A 16 11.365 6.935 -10.457 1.00 0.00 C ATOM 159 CG GLU A 16 10.875 6.973 -11.906 1.00 0.00 C ATOM 160 CD GLU A 16 10.528 5.569 -12.405 1.00 0.00 C ATOM 161 OE1 GLU A 16 11.470 4.753 -12.505 1.00 0.00 O ATOM 162 OE2 GLU A 16 9.329 5.343 -12.675 1.00 0.00 O ATOM 0 HA GLU A 16 9.893 8.459 -10.236 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.440 7.110 -10.428 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.192 5.944 -10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.998 7.616 -11.980 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.645 7.409 -12.543 1.00 0.00 H new ATOM 169 N LEU A 17 8.762 6.812 -8.675 1.00 0.00 N ATOM 170 CA LEU A 17 7.982 6.165 -7.633 1.00 0.00 C ATOM 171 C LEU A 17 8.914 5.338 -6.745 1.00 0.00 C ATOM 172 O LEU A 17 9.914 4.802 -7.218 1.00 0.00 O ATOM 173 CB LEU A 17 6.837 5.357 -8.245 1.00 0.00 C ATOM 174 CG LEU A 17 5.962 6.095 -9.260 1.00 0.00 C ATOM 175 CD1 LEU A 17 5.839 7.578 -8.902 1.00 0.00 C ATOM 176 CD2 LEU A 17 6.484 5.891 -10.684 1.00 0.00 C ATOM 0 H LEU A 17 8.322 6.818 -9.595 1.00 0.00 H new ATOM 0 HA LEU A 17 7.508 6.909 -6.993 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.259 4.477 -8.731 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.199 5.000 -7.437 1.00 0.00 H new ATOM 0 HG LEU A 17 4.959 5.670 -9.220 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.212 8.079 -9.639 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.388 7.678 -7.914 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.829 8.034 -8.897 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.844 6.426 -11.386 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.502 6.274 -10.757 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.478 4.828 -10.925 1.00 0.00 H new ATOM 188 N VAL A 18 8.551 5.259 -5.473 1.00 0.00 N ATOM 189 CA VAL A 18 9.342 4.506 -4.515 1.00 0.00 C ATOM 190 C VAL A 18 8.816 3.071 -4.442 1.00 0.00 C ATOM 191 O VAL A 18 7.630 2.829 -4.663 1.00 0.00 O ATOM 192 CB VAL A 18 9.335 5.215 -3.159 1.00 0.00 C ATOM 193 CG1 VAL A 18 7.906 5.536 -2.715 1.00 0.00 C ATOM 194 CG2 VAL A 18 10.063 4.382 -2.101 1.00 0.00 C ATOM 0 H VAL A 18 7.720 5.704 -5.084 1.00 0.00 H new ATOM 0 HA VAL A 18 10.383 4.455 -4.835 1.00 0.00 H new ATOM 0 HB VAL A 18 9.871 6.158 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.930 6.040 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.434 6.186 -3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.336 4.611 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.044 4.908 -1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.568 3.417 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.097 4.226 -2.409 1.00 0.00 H new ATOM 204 N ASP A 19 9.723 2.157 -4.131 1.00 0.00 N ATOM 205 CA ASP A 19 9.365 0.753 -4.027 1.00 0.00 C ATOM 206 C ASP A 19 8.820 0.473 -2.625 1.00 0.00 C ATOM 207 O ASP A 19 9.431 0.857 -1.629 1.00 0.00 O ATOM 208 CB ASP A 19 10.585 -0.144 -4.247 1.00 0.00 C ATOM 209 CG ASP A 19 10.850 -0.528 -5.704 1.00 0.00 C ATOM 210 OD1 ASP A 19 10.489 0.286 -6.581 1.00 0.00 O ATOM 211 OD2 ASP A 19 11.408 -1.628 -5.909 1.00 0.00 O ATOM 0 H ASP A 19 10.705 2.361 -3.948 1.00 0.00 H new ATOM 0 HA ASP A 19 8.617 0.538 -4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.466 0.364 -3.855 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.457 -1.056 -3.664 1.00 0.00 H new ATOM 216 N LEU A 20 7.676 -0.195 -2.592 1.00 0.00 N ATOM 217 CA LEU A 20 7.041 -0.531 -1.329 1.00 0.00 C ATOM 218 C LEU A 20 6.364 -1.897 -1.451 1.00 0.00 C ATOM 219 O LEU A 20 5.918 -2.279 -2.532 1.00 0.00 O ATOM 220 CB LEU A 20 6.094 0.588 -0.891 1.00 0.00 C ATOM 221 CG LEU A 20 6.715 1.980 -0.761 1.00 0.00 C ATOM 222 CD1 LEU A 20 5.633 3.052 -0.613 1.00 0.00 C ATOM 223 CD2 LEU A 20 7.726 2.024 0.387 1.00 0.00 C ATOM 0 H LEU A 20 7.172 -0.513 -3.420 1.00 0.00 H new ATOM 0 HA LEU A 20 7.786 -0.614 -0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.274 0.643 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.660 0.314 0.071 1.00 0.00 H new ATOM 0 HG LEU A 20 7.260 2.198 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.102 4.032 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.986 3.039 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.040 2.850 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.153 3.024 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.225 1.776 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.521 1.303 0.199 1.00 0.00 H new ATOM 235 N LYS A 21 6.309 -2.597 -0.327 1.00 0.00 N ATOM 236 CA LYS A 21 5.694 -3.913 -0.294 1.00 0.00 C ATOM 237 C LYS A 21 4.291 -3.801 0.306 1.00 0.00 C ATOM 238 O LYS A 21 4.116 -3.225 1.379 1.00 0.00 O ATOM 239 CB LYS A 21 6.598 -4.909 0.435 1.00 0.00 C ATOM 240 CG LYS A 21 7.215 -5.909 -0.545 1.00 0.00 C ATOM 241 CD LYS A 21 8.591 -6.372 -0.062 1.00 0.00 C ATOM 242 CE LYS A 21 9.333 -7.130 -1.164 1.00 0.00 C ATOM 243 NZ LYS A 21 10.007 -6.184 -2.081 1.00 0.00 N ATOM 0 H LYS A 21 6.680 -2.277 0.568 1.00 0.00 H new ATOM 0 HA LYS A 21 5.578 -4.305 -1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.389 -4.372 0.958 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.022 -5.443 1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.556 -6.770 -0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.307 -5.450 -1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.180 -5.510 0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.477 -7.014 0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.068 -7.801 -0.720 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.632 -7.750 -1.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.506 -6.715 -2.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.299 -5.560 -2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.691 -5.610 -1.547 1.00 0.00 H new ATOM 257 N ILE A 22 3.328 -4.360 -0.411 1.00 0.00 N ATOM 258 CA ILE A 22 1.947 -4.330 0.038 1.00 0.00 C ATOM 259 C ILE A 22 1.654 -5.588 0.858 1.00 0.00 C ATOM 260 O ILE A 22 1.169 -6.584 0.322 1.00 0.00 O ATOM 261 CB ILE A 22 1.002 -4.136 -1.150 1.00 0.00 C ATOM 262 CG1 ILE A 22 1.513 -3.038 -2.084 1.00 0.00 C ATOM 263 CG2 ILE A 22 -0.427 -3.865 -0.675 1.00 0.00 C ATOM 264 CD1 ILE A 22 1.160 -1.650 -1.544 1.00 0.00 C ATOM 0 H ILE A 22 3.477 -4.837 -1.300 1.00 0.00 H new ATOM 0 HA ILE A 22 1.778 -3.476 0.693 1.00 0.00 H new ATOM 0 HB ILE A 22 0.981 -5.062 -1.724 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.594 -3.125 -2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.079 -3.168 -3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.078 -3.731 -1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.780 -4.709 -0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.443 -2.962 -0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.535 -0.888 -2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.077 -1.558 -1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.616 -1.514 -0.563 1.00 0.00 H new ATOM 276 N ILE A 23 1.961 -5.503 2.144 1.00 0.00 N ATOM 277 CA ILE A 23 1.737 -6.622 3.043 1.00 0.00 C ATOM 278 C ILE A 23 0.259 -6.669 3.433 1.00 0.00 C ATOM 279 O ILE A 23 -0.324 -5.648 3.794 1.00 0.00 O ATOM 280 CB ILE A 23 2.687 -6.546 4.240 1.00 0.00 C ATOM 281 CG1 ILE A 23 4.121 -6.267 3.785 1.00 0.00 C ATOM 282 CG2 ILE A 23 2.593 -7.811 5.095 1.00 0.00 C ATOM 283 CD1 ILE A 23 4.626 -7.371 2.853 1.00 0.00 C ATOM 0 H ILE A 23 2.363 -4.676 2.585 1.00 0.00 H new ATOM 0 HA ILE A 23 1.965 -7.564 2.544 1.00 0.00 H new ATOM 0 HB ILE A 23 2.380 -5.709 4.868 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.163 -5.306 3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.774 -6.193 4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.278 -7.731 5.939 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.574 -7.926 5.464 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.860 -8.679 4.492 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.647 -7.148 2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.606 -8.327 3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.985 -7.426 1.973 1.00 0.00 H new ATOM 295 N TRP A 24 -0.305 -7.865 3.347 1.00 0.00 N ATOM 296 CA TRP A 24 -1.705 -8.058 3.687 1.00 0.00 C ATOM 297 C TRP A 24 -1.979 -9.563 3.725 1.00 0.00 C ATOM 298 O TRP A 24 -1.875 -10.242 2.704 1.00 0.00 O ATOM 299 CB TRP A 24 -2.614 -7.309 2.711 1.00 0.00 C ATOM 300 CG TRP A 24 -4.082 -7.262 3.140 1.00 0.00 C ATOM 301 CD1 TRP A 24 -4.584 -7.366 4.378 1.00 0.00 C ATOM 302 CD2 TRP A 24 -5.226 -7.092 2.276 1.00 0.00 C ATOM 303 NE1 TRP A 24 -5.961 -7.277 4.376 1.00 0.00 N ATOM 304 CE2 TRP A 24 -6.364 -7.105 3.056 1.00 0.00 C ATOM 305 CE3 TRP A 24 -5.296 -6.934 0.881 1.00 0.00 C ATOM 306 CZ2 TRP A 24 -7.654 -6.964 2.532 1.00 0.00 C ATOM 307 CZ3 TRP A 24 -6.593 -6.794 0.372 1.00 0.00 C ATOM 308 CH2 TRP A 24 -7.749 -6.805 1.145 1.00 0.00 C ATOM 0 H TRP A 24 0.182 -8.710 3.047 1.00 0.00 H new ATOM 0 HA TRP A 24 -1.925 -7.639 4.669 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.246 -6.289 2.598 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.547 -7.783 1.732 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.986 -7.502 5.267 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.571 -7.328 5.192 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.419 -6.922 0.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -8.529 -6.977 3.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.703 -6.669 -0.695 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -8.716 -6.691 0.677 1.00 0.00 H new ATOM 319 N ASN A 25 -2.323 -10.040 4.912 1.00 0.00 N ATOM 320 CA ASN A 25 -2.612 -11.452 5.096 1.00 0.00 C ATOM 321 C ASN A 25 -1.323 -12.258 4.931 1.00 0.00 C ATOM 322 O ASN A 25 -0.778 -12.771 5.907 1.00 0.00 O ATOM 323 CB ASN A 25 -3.617 -11.948 4.054 1.00 0.00 C ATOM 324 CG ASN A 25 -4.927 -12.378 4.717 1.00 0.00 C ATOM 325 OD1 ASN A 25 -4.958 -13.212 5.608 1.00 0.00 O ATOM 326 ND2 ASN A 25 -6.004 -11.765 4.236 1.00 0.00 N ATOM 0 H ASN A 25 -2.408 -9.474 5.756 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.032 -11.583 6.093 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.814 -11.158 3.329 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.191 -12.787 3.504 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.926 -11.983 4.613 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.908 -11.077 3.489 1.00 0.00 H new ATOM 333 N LYS A 26 -0.871 -12.345 3.688 1.00 0.00 N ATOM 334 CA LYS A 26 0.344 -13.080 3.382 1.00 0.00 C ATOM 335 C LYS A 26 0.660 -12.938 1.892 1.00 0.00 C ATOM 336 O LYS A 26 1.133 -13.882 1.261 1.00 0.00 O ATOM 337 CB LYS A 26 0.224 -14.532 3.850 1.00 0.00 C ATOM 338 CG LYS A 26 0.917 -14.732 5.199 1.00 0.00 C ATOM 339 CD LYS A 26 2.191 -15.566 5.042 1.00 0.00 C ATOM 340 CE LYS A 26 2.392 -16.491 6.243 1.00 0.00 C ATOM 341 NZ LYS A 26 2.226 -17.906 5.841 1.00 0.00 N ATOM 0 H LYS A 26 -1.325 -11.918 2.881 1.00 0.00 H new ATOM 0 HA LYS A 26 1.190 -12.662 3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.828 -14.805 3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.668 -15.195 3.107 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.163 -13.763 5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.237 -15.227 5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.132 -16.158 4.129 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.052 -14.905 4.939 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.386 -16.340 6.663 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.675 -16.242 7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.366 -18.521 6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.268 -18.049 5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.927 -18.144 5.111 1.00 0.00 H new ATOM 355 N THR A 27 0.385 -11.751 1.372 1.00 0.00 N ATOM 356 CA THR A 27 0.633 -11.473 -0.033 1.00 0.00 C ATOM 357 C THR A 27 1.611 -10.306 -0.180 1.00 0.00 C ATOM 358 O THR A 27 1.797 -9.525 0.752 1.00 0.00 O ATOM 359 CB THR A 27 -0.715 -11.226 -0.712 1.00 0.00 C ATOM 360 OG1 THR A 27 -1.466 -10.503 0.260 1.00 0.00 O ATOM 361 CG2 THR A 27 -1.513 -12.516 -0.915 1.00 0.00 C ATOM 0 H THR A 27 -0.007 -10.970 1.898 1.00 0.00 H new ATOM 0 HA THR A 27 1.110 -12.320 -0.526 1.00 0.00 H new ATOM 0 HB THR A 27 -0.553 -10.744 -1.676 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.700 -11.099 1.002 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.461 -12.285 -1.401 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.943 -13.202 -1.541 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.705 -12.981 0.052 1.00 0.00 H new ATOM 369 N LYS A 28 2.210 -10.223 -1.360 1.00 0.00 N ATOM 370 CA LYS A 28 3.164 -9.163 -1.641 1.00 0.00 C ATOM 371 C LYS A 28 2.886 -8.590 -3.032 1.00 0.00 C ATOM 372 O LYS A 28 3.235 -9.201 -4.041 1.00 0.00 O ATOM 373 CB LYS A 28 4.596 -9.670 -1.460 1.00 0.00 C ATOM 374 CG LYS A 28 4.901 -9.937 0.015 1.00 0.00 C ATOM 375 CD LYS A 28 6.393 -10.198 0.228 1.00 0.00 C ATOM 376 CE LYS A 28 6.869 -9.607 1.557 1.00 0.00 C ATOM 377 NZ LYS A 28 7.917 -10.462 2.159 1.00 0.00 N ATOM 0 H LYS A 28 2.053 -10.872 -2.131 1.00 0.00 H new ATOM 0 HA LYS A 28 3.047 -8.346 -0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.737 -10.585 -2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.298 -8.935 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.588 -9.082 0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.325 -10.796 0.359 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.584 -11.271 0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.963 -9.762 -0.593 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.259 -8.602 1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.027 -9.516 2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.229 -10.047 3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.533 -11.413 2.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.727 -10.528 1.510 1.00 0.00 H new ATOM 391 N HIS A 29 2.259 -7.422 -3.041 1.00 0.00 N ATOM 392 CA HIS A 29 1.930 -6.759 -4.292 1.00 0.00 C ATOM 393 C HIS A 29 2.877 -5.577 -4.510 1.00 0.00 C ATOM 394 O HIS A 29 2.747 -4.544 -3.856 1.00 0.00 O ATOM 395 CB HIS A 29 0.456 -6.351 -4.319 1.00 0.00 C ATOM 396 CG HIS A 29 -0.504 -7.515 -4.265 1.00 0.00 C ATOM 397 ND1 HIS A 29 -0.561 -8.487 -5.249 1.00 0.00 N ATOM 398 CD2 HIS A 29 -1.444 -7.853 -3.335 1.00 0.00 C ATOM 399 CE1 HIS A 29 -1.496 -9.364 -4.917 1.00 0.00 C ATOM 400 NE2 HIS A 29 -2.042 -8.970 -3.731 1.00 0.00 N ATOM 0 H HIS A 29 1.970 -6.918 -2.202 1.00 0.00 H new ATOM 0 HA HIS A 29 2.070 -7.450 -5.123 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.257 -5.690 -3.476 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.265 -5.777 -5.226 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.664 -7.305 -2.431 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.777 -10.238 -5.486 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.787 -9.454 -3.231 1.00 0.00 H new ATOM 408 N ASP A 30 3.808 -5.769 -5.433 1.00 0.00 N ATOM 409 CA ASP A 30 4.776 -4.731 -5.746 1.00 0.00 C ATOM 410 C ASP A 30 4.067 -3.575 -6.454 1.00 0.00 C ATOM 411 O ASP A 30 3.482 -3.761 -7.520 1.00 0.00 O ATOM 412 CB ASP A 30 5.867 -5.259 -6.679 1.00 0.00 C ATOM 413 CG ASP A 30 7.294 -5.134 -6.142 1.00 0.00 C ATOM 414 OD1 ASP A 30 7.559 -4.116 -5.467 1.00 0.00 O ATOM 415 OD2 ASP A 30 8.088 -6.059 -6.419 1.00 0.00 O ATOM 0 H ASP A 30 3.913 -6.627 -5.974 1.00 0.00 H new ATOM 0 HA ASP A 30 5.230 -4.400 -4.812 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.666 -6.309 -6.891 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.803 -4.724 -7.627 1.00 0.00 H new ATOM 420 N VAL A 31 4.143 -2.407 -5.833 1.00 0.00 N ATOM 421 CA VAL A 31 3.516 -1.221 -6.391 1.00 0.00 C ATOM 422 C VAL A 31 4.479 -0.038 -6.276 1.00 0.00 C ATOM 423 O VAL A 31 5.166 0.113 -5.267 1.00 0.00 O ATOM 424 CB VAL A 31 2.173 -0.967 -5.702 1.00 0.00 C ATOM 425 CG1 VAL A 31 1.144 -2.027 -6.100 1.00 0.00 C ATOM 426 CG2 VAL A 31 2.338 -0.906 -4.183 1.00 0.00 C ATOM 0 H VAL A 31 4.629 -2.257 -4.949 1.00 0.00 H new ATOM 0 HA VAL A 31 3.302 -1.364 -7.450 1.00 0.00 H new ATOM 0 HB VAL A 31 1.803 0.002 -6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.199 -1.824 -5.597 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.994 -2.001 -7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.506 -3.013 -5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.369 -0.725 -3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.742 -1.852 -3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.022 -0.098 -3.923 1.00 0.00 H new ATOM 436 N LYS A 32 4.500 0.771 -7.326 1.00 0.00 N ATOM 437 CA LYS A 32 5.368 1.935 -7.356 1.00 0.00 C ATOM 438 C LYS A 32 4.533 3.195 -7.118 1.00 0.00 C ATOM 439 O LYS A 32 3.681 3.543 -7.934 1.00 0.00 O ATOM 440 CB LYS A 32 6.175 1.969 -8.655 1.00 0.00 C ATOM 441 CG LYS A 32 5.394 2.670 -9.768 1.00 0.00 C ATOM 442 CD LYS A 32 5.929 2.276 -11.146 1.00 0.00 C ATOM 443 CE LYS A 32 4.801 2.223 -12.178 1.00 0.00 C ATOM 444 NZ LYS A 32 5.248 1.514 -13.398 1.00 0.00 N ATOM 0 H LYS A 32 3.930 0.643 -8.162 1.00 0.00 H new ATOM 0 HA LYS A 32 6.103 1.882 -6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.119 2.487 -8.487 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.419 0.952 -8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.338 2.409 -9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.465 3.750 -9.642 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.685 2.993 -11.465 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.418 1.303 -11.086 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.934 1.717 -11.753 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.486 3.235 -12.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.471 1.487 -14.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.061 2.014 -13.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.527 0.543 -13.152 1.00 0.00 H new ATOM 458 N VAL A 33 4.806 3.845 -5.996 1.00 0.00 N ATOM 459 CA VAL A 33 4.091 5.058 -5.641 1.00 0.00 C ATOM 460 C VAL A 33 5.098 6.161 -5.310 1.00 0.00 C ATOM 461 O VAL A 33 6.209 5.878 -4.862 1.00 0.00 O ATOM 462 CB VAL A 33 3.117 4.775 -4.495 1.00 0.00 C ATOM 463 CG1 VAL A 33 2.279 3.528 -4.784 1.00 0.00 C ATOM 464 CG2 VAL A 33 3.859 4.641 -3.164 1.00 0.00 C ATOM 0 H VAL A 33 5.513 3.554 -5.321 1.00 0.00 H new ATOM 0 HA VAL A 33 3.491 5.407 -6.482 1.00 0.00 H new ATOM 0 HB VAL A 33 2.438 5.624 -4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.595 3.349 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.707 3.678 -5.700 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.937 2.667 -4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.143 4.440 -2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.573 3.819 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.391 5.568 -2.949 1.00 0.00 H new ATOM 474 N PRO A 34 4.664 7.427 -5.548 1.00 0.00 N ATOM 475 CA PRO A 34 5.515 8.574 -5.280 1.00 0.00 C ATOM 476 C PRO A 34 5.605 8.851 -3.778 1.00 0.00 C ATOM 477 O PRO A 34 4.695 8.508 -3.025 1.00 0.00 O ATOM 478 CB PRO A 34 4.889 9.719 -6.059 1.00 0.00 C ATOM 479 CG PRO A 34 3.462 9.291 -6.356 1.00 0.00 C ATOM 480 CD PRO A 34 3.355 7.800 -6.078 1.00 0.00 C ATOM 0 HA PRO A 34 6.547 8.414 -5.593 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.907 10.642 -5.479 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.439 9.911 -6.980 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.760 9.847 -5.735 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.207 9.505 -7.394 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.562 7.587 -5.361 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.122 7.244 -6.986 1.00 0.00 H new ATOM 488 N LEU A 35 6.710 9.469 -3.388 1.00 0.00 N ATOM 489 CA LEU A 35 6.931 9.796 -1.989 1.00 0.00 C ATOM 490 C LEU A 35 6.150 11.064 -1.637 1.00 0.00 C ATOM 491 O LEU A 35 6.152 11.499 -0.487 1.00 0.00 O ATOM 492 CB LEU A 35 8.428 9.893 -1.692 1.00 0.00 C ATOM 493 CG LEU A 35 8.911 9.162 -0.437 1.00 0.00 C ATOM 494 CD1 LEU A 35 8.386 7.725 -0.403 1.00 0.00 C ATOM 495 CD2 LEU A 35 10.436 9.217 -0.323 1.00 0.00 C ATOM 0 H LEU A 35 7.462 9.752 -4.016 1.00 0.00 H new ATOM 0 HA LEU A 35 6.553 9.000 -1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.975 9.501 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.693 10.946 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 35 8.504 9.675 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.744 7.228 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.296 7.736 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.744 7.186 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.753 8.690 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.883 8.744 -1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.759 10.256 -0.268 1.00 0.00 H new ATOM 507 N ASP A 36 5.502 11.621 -2.649 1.00 0.00 N ATOM 508 CA ASP A 36 4.719 12.830 -2.461 1.00 0.00 C ATOM 509 C ASP A 36 3.357 12.464 -1.868 1.00 0.00 C ATOM 510 O ASP A 36 2.711 13.293 -1.228 1.00 0.00 O ATOM 511 CB ASP A 36 4.477 13.543 -3.793 1.00 0.00 C ATOM 512 CG ASP A 36 4.998 14.980 -3.861 1.00 0.00 C ATOM 513 OD1 ASP A 36 6.161 15.183 -3.451 1.00 0.00 O ATOM 514 OD2 ASP A 36 4.221 15.844 -4.322 1.00 0.00 O ATOM 0 H ASP A 36 5.503 11.257 -3.602 1.00 0.00 H new ATOM 0 HA ASP A 36 5.274 13.490 -1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.947 12.964 -4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.406 13.551 -3.994 1.00 0.00 H new ATOM 519 N SER A 37 2.961 11.221 -2.101 1.00 0.00 N ATOM 520 CA SER A 37 1.687 10.735 -1.597 1.00 0.00 C ATOM 521 C SER A 37 1.578 11.013 -0.096 1.00 0.00 C ATOM 522 O SER A 37 2.470 10.658 0.671 1.00 0.00 O ATOM 523 CB SER A 37 1.521 9.240 -1.873 1.00 0.00 C ATOM 524 OG SER A 37 0.692 8.995 -3.006 1.00 0.00 O ATOM 0 H SER A 37 3.499 10.536 -2.632 1.00 0.00 H new ATOM 0 HA SER A 37 0.888 11.264 -2.117 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.500 8.791 -2.037 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.090 8.755 -0.997 1.00 0.00 H new ATOM 0 HG SER A 37 0.612 8.029 -3.150 1.00 0.00 H new ATOM 530 N THR A 38 0.475 11.647 0.277 1.00 0.00 N ATOM 531 CA THR A 38 0.237 11.977 1.671 1.00 0.00 C ATOM 532 C THR A 38 -0.063 10.710 2.475 1.00 0.00 C ATOM 533 O THR A 38 -0.718 9.796 1.978 1.00 0.00 O ATOM 534 CB THR A 38 -0.888 13.012 1.727 1.00 0.00 C ATOM 535 OG1 THR A 38 -1.953 12.407 1.001 1.00 0.00 O ATOM 536 CG2 THR A 38 -0.561 14.275 0.927 1.00 0.00 C ATOM 0 H THR A 38 -0.263 11.940 -0.363 1.00 0.00 H new ATOM 0 HA THR A 38 1.123 12.414 2.131 1.00 0.00 H new ATOM 0 HB THR A 38 -1.083 13.280 2.765 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.725 13.011 0.989 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.392 14.977 1.000 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.341 14.737 1.329 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.399 14.012 -0.118 1.00 0.00 H new ATOM 544 N GLY A 39 0.432 10.697 3.705 1.00 0.00 N ATOM 545 CA GLY A 39 0.225 9.557 4.582 1.00 0.00 C ATOM 546 C GLY A 39 -1.191 8.997 4.428 1.00 0.00 C ATOM 547 O GLY A 39 -1.411 7.800 4.611 1.00 0.00 O ATOM 0 H GLY A 39 0.975 11.457 4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.954 8.780 4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.392 9.855 5.617 1.00 0.00 H new ATOM 551 N SER A 40 -2.112 9.888 4.095 1.00 0.00 N ATOM 552 CA SER A 40 -3.500 9.497 3.914 1.00 0.00 C ATOM 553 C SER A 40 -3.681 8.819 2.554 1.00 0.00 C ATOM 554 O SER A 40 -4.279 7.748 2.465 1.00 0.00 O ATOM 555 CB SER A 40 -4.432 10.704 4.034 1.00 0.00 C ATOM 556 OG SER A 40 -5.766 10.319 4.356 1.00 0.00 O ATOM 0 H SER A 40 -1.925 10.880 3.946 1.00 0.00 H new ATOM 0 HA SER A 40 -3.761 8.790 4.702 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.054 11.379 4.802 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.431 11.257 3.095 1.00 0.00 H new ATOM 0 HG SER A 40 -5.781 9.901 5.242 1.00 0.00 H new ATOM 562 N GLU A 41 -3.152 9.472 1.529 1.00 0.00 N ATOM 563 CA GLU A 41 -3.248 8.946 0.178 1.00 0.00 C ATOM 564 C GLU A 41 -3.003 7.435 0.178 1.00 0.00 C ATOM 565 O GLU A 41 -3.631 6.701 -0.583 1.00 0.00 O ATOM 566 CB GLU A 41 -2.270 9.659 -0.758 1.00 0.00 C ATOM 567 CG GLU A 41 -2.995 10.694 -1.621 1.00 0.00 C ATOM 568 CD GLU A 41 -2.449 10.694 -3.051 1.00 0.00 C ATOM 569 OE1 GLU A 41 -2.699 9.692 -3.754 1.00 0.00 O ATOM 570 OE2 GLU A 41 -1.794 11.697 -3.408 1.00 0.00 O ATOM 0 H GLU A 41 -2.656 10.360 1.607 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.256 9.131 -0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.492 10.149 -0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.775 8.929 -1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.063 10.477 -1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.877 11.685 -1.183 1.00 0.00 H new ATOM 577 N LEU A 42 -2.089 7.016 1.041 1.00 0.00 N ATOM 578 CA LEU A 42 -1.754 5.606 1.150 1.00 0.00 C ATOM 579 C LEU A 42 -3.034 4.773 1.053 1.00 0.00 C ATOM 580 O LEU A 42 -3.082 3.785 0.323 1.00 0.00 O ATOM 581 CB LEU A 42 -0.945 5.345 2.422 1.00 0.00 C ATOM 582 CG LEU A 42 0.570 5.237 2.243 1.00 0.00 C ATOM 583 CD1 LEU A 42 1.299 5.509 3.560 1.00 0.00 C ATOM 584 CD2 LEU A 42 0.956 3.882 1.644 1.00 0.00 C ATOM 0 H LEU A 42 -1.570 7.628 1.671 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.112 5.302 0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.151 6.147 3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.304 4.420 2.874 1.00 0.00 H new ATOM 0 HG LEU A 42 0.886 6.004 1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.375 5.426 3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.059 6.514 3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.983 4.781 4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.039 3.831 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.625 3.083 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.480 3.766 0.670 1.00 0.00 H new ATOM 596 N LYS A 43 -4.040 5.203 1.800 1.00 0.00 N ATOM 597 CA LYS A 43 -5.317 4.509 1.808 1.00 0.00 C ATOM 598 C LYS A 43 -5.747 4.228 0.367 1.00 0.00 C ATOM 599 O LYS A 43 -5.798 3.073 -0.055 1.00 0.00 O ATOM 600 CB LYS A 43 -6.350 5.297 2.615 1.00 0.00 C ATOM 601 CG LYS A 43 -5.983 5.322 4.101 1.00 0.00 C ATOM 602 CD LYS A 43 -6.603 4.133 4.838 1.00 0.00 C ATOM 603 CE LYS A 43 -6.611 4.369 6.350 1.00 0.00 C ATOM 604 NZ LYS A 43 -6.655 3.081 7.076 1.00 0.00 N ATOM 0 H LYS A 43 -3.997 6.024 2.404 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.224 3.545 2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.412 6.317 2.235 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.335 4.848 2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.899 5.298 4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.329 6.253 4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.622 3.973 4.486 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.042 3.227 4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.721 4.927 6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.473 4.977 6.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.262 3.207 8.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.640 2.756 7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.094 2.373 6.561 1.00 0.00 H new ATOM 618 N GLN A 44 -6.046 5.302 -0.348 1.00 0.00 N ATOM 619 CA GLN A 44 -6.471 5.184 -1.733 1.00 0.00 C ATOM 620 C GLN A 44 -5.400 4.466 -2.557 1.00 0.00 C ATOM 621 O GLN A 44 -5.685 3.952 -3.638 1.00 0.00 O ATOM 622 CB GLN A 44 -6.791 6.558 -2.327 1.00 0.00 C ATOM 623 CG GLN A 44 -7.922 7.239 -1.554 1.00 0.00 C ATOM 624 CD GLN A 44 -9.211 7.263 -2.377 1.00 0.00 C ATOM 625 OE1 GLN A 44 -9.212 7.082 -3.584 1.00 0.00 O ATOM 626 NE2 GLN A 44 -10.307 7.494 -1.660 1.00 0.00 N ATOM 0 H GLN A 44 -6.003 6.258 0.005 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.384 4.590 -1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.900 7.185 -2.303 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.075 6.449 -3.374 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.095 6.712 -0.616 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.631 8.258 -1.298 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.237 7.637 -0.653 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.218 7.528 -2.118 1.00 0.00 H new ATOM 635 N LYS A 45 -4.191 4.454 -2.016 1.00 0.00 N ATOM 636 CA LYS A 45 -3.077 3.808 -2.688 1.00 0.00 C ATOM 637 C LYS A 45 -3.165 2.295 -2.473 1.00 0.00 C ATOM 638 O LYS A 45 -2.727 1.518 -3.320 1.00 0.00 O ATOM 639 CB LYS A 45 -1.750 4.417 -2.232 1.00 0.00 C ATOM 640 CG LYS A 45 -0.946 4.936 -3.425 1.00 0.00 C ATOM 641 CD LYS A 45 -1.716 6.026 -4.173 1.00 0.00 C ATOM 642 CE LYS A 45 -1.556 5.870 -5.687 1.00 0.00 C ATOM 643 NZ LYS A 45 -2.877 5.712 -6.335 1.00 0.00 N ATOM 0 H LYS A 45 -3.958 4.882 -1.120 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.128 3.982 -3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.941 5.233 -1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.168 3.668 -1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.009 5.332 -3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.723 4.113 -4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.772 5.977 -3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.356 7.007 -3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.046 6.742 -6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.932 5.004 -5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.750 5.607 -7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.350 4.867 -5.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.461 6.551 -6.142 1.00 0.00 H new ATOM 657 N ILE A 46 -3.735 1.924 -1.336 1.00 0.00 N ATOM 658 CA ILE A 46 -3.887 0.518 -1.000 1.00 0.00 C ATOM 659 C ILE A 46 -5.227 0.012 -1.536 1.00 0.00 C ATOM 660 O ILE A 46 -5.292 -1.052 -2.149 1.00 0.00 O ATOM 661 CB ILE A 46 -3.705 0.305 0.504 1.00 0.00 C ATOM 662 CG1 ILE A 46 -2.478 1.059 1.021 1.00 0.00 C ATOM 663 CG2 ILE A 46 -3.647 -1.186 0.844 1.00 0.00 C ATOM 664 CD1 ILE A 46 -2.800 1.807 2.316 1.00 0.00 C ATOM 0 H ILE A 46 -4.097 2.572 -0.636 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.108 -0.075 -1.479 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.575 0.718 1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.662 0.357 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.135 1.765 0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.517 -1.309 1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.575 -1.666 0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.808 -1.646 0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.911 2.334 2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.599 2.525 2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.119 1.095 3.077 1.00 0.00 H new ATOM 676 N HIS A 47 -6.264 0.798 -1.284 1.00 0.00 N ATOM 677 CA HIS A 47 -7.599 0.442 -1.733 1.00 0.00 C ATOM 678 C HIS A 47 -7.588 0.215 -3.246 1.00 0.00 C ATOM 679 O HIS A 47 -8.454 -0.475 -3.780 1.00 0.00 O ATOM 680 CB HIS A 47 -8.618 1.498 -1.299 1.00 0.00 C ATOM 681 CG HIS A 47 -9.852 1.554 -2.167 1.00 0.00 C ATOM 682 ND1 HIS A 47 -10.085 2.572 -3.075 1.00 0.00 N ATOM 683 CD2 HIS A 47 -10.917 0.707 -2.257 1.00 0.00 C ATOM 684 CE1 HIS A 47 -11.242 2.339 -3.677 1.00 0.00 C ATOM 685 NE2 HIS A 47 -11.756 1.182 -3.169 1.00 0.00 N ATOM 0 H HIS A 47 -6.206 1.680 -0.775 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.908 -0.492 -1.263 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.918 1.297 -0.271 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -8.137 2.476 -1.305 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -11.054 -0.198 -1.683 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -11.698 2.957 -4.437 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -12.639 0.753 -3.445 1.00 0.00 H new ATOM 693 N SER A 48 -6.597 0.810 -3.894 1.00 0.00 N ATOM 694 CA SER A 48 -6.462 0.682 -5.335 1.00 0.00 C ATOM 695 C SER A 48 -5.870 -0.685 -5.685 1.00 0.00 C ATOM 696 O SER A 48 -5.941 -1.120 -6.834 1.00 0.00 O ATOM 697 CB SER A 48 -5.590 1.801 -5.908 1.00 0.00 C ATOM 698 OG SER A 48 -5.678 1.872 -7.328 1.00 0.00 O ATOM 0 H SER A 48 -5.880 1.382 -3.448 1.00 0.00 H new ATOM 0 HA SER A 48 -7.453 0.767 -5.781 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.895 2.755 -5.478 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.552 1.637 -5.617 1.00 0.00 H new ATOM 0 HG SER A 48 -5.758 0.967 -7.696 1.00 0.00 H new ATOM 704 N ILE A 49 -5.298 -1.323 -4.675 1.00 0.00 N ATOM 705 CA ILE A 49 -4.694 -2.631 -4.862 1.00 0.00 C ATOM 706 C ILE A 49 -5.481 -3.671 -4.061 1.00 0.00 C ATOM 707 O ILE A 49 -6.029 -4.613 -4.631 1.00 0.00 O ATOM 708 CB ILE A 49 -3.204 -2.588 -4.516 1.00 0.00 C ATOM 709 CG1 ILE A 49 -2.640 -1.177 -4.699 1.00 0.00 C ATOM 710 CG2 ILE A 49 -2.423 -3.627 -5.323 1.00 0.00 C ATOM 711 CD1 ILE A 49 -1.182 -1.107 -4.240 1.00 0.00 C ATOM 0 H ILE A 49 -5.240 -0.958 -3.724 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.746 -2.928 -5.909 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.090 -2.847 -3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.710 -0.887 -5.747 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.239 -0.465 -4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.367 -3.575 -5.058 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.805 -4.623 -5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.540 -3.424 -6.388 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.805 -0.094 -4.380 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.119 -1.375 -3.185 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.582 -1.802 -4.827 1.00 0.00 H new ATOM 723 N THR A 50 -5.511 -3.465 -2.753 1.00 0.00 N ATOM 724 CA THR A 50 -6.222 -4.372 -1.869 1.00 0.00 C ATOM 725 C THR A 50 -7.695 -4.465 -2.271 1.00 0.00 C ATOM 726 O THR A 50 -8.326 -5.505 -2.095 1.00 0.00 O ATOM 727 CB THR A 50 -6.014 -3.891 -0.431 1.00 0.00 C ATOM 728 OG1 THR A 50 -6.261 -2.489 -0.495 1.00 0.00 O ATOM 729 CG2 THR A 50 -4.553 -3.992 0.014 1.00 0.00 C ATOM 0 H THR A 50 -5.054 -2.683 -2.284 1.00 0.00 H new ATOM 0 HA THR A 50 -5.832 -5.387 -1.948 1.00 0.00 H new ATOM 0 HB THR A 50 -6.640 -4.477 0.242 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.325 -2.211 -1.432 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.460 -3.639 1.041 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.226 -5.030 -0.043 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.931 -3.379 -0.638 1.00 0.00 H new ATOM 737 N GLY A 51 -8.200 -3.362 -2.804 1.00 0.00 N ATOM 738 CA GLY A 51 -9.587 -3.305 -3.233 1.00 0.00 C ATOM 739 C GLY A 51 -10.533 -3.309 -2.031 1.00 0.00 C ATOM 740 O GLY A 51 -11.751 -3.361 -2.195 1.00 0.00 O ATOM 0 H GLY A 51 -7.673 -2.501 -2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.751 -2.406 -3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.808 -4.156 -3.877 1.00 0.00 H new ATOM 744 N LEU A 52 -9.937 -3.252 -0.849 1.00 0.00 N ATOM 745 CA LEU A 52 -10.712 -3.248 0.381 1.00 0.00 C ATOM 746 C LEU A 52 -10.959 -1.803 0.818 1.00 0.00 C ATOM 747 O LEU A 52 -10.340 -0.878 0.295 1.00 0.00 O ATOM 748 CB LEU A 52 -10.028 -4.105 1.448 1.00 0.00 C ATOM 749 CG LEU A 52 -9.243 -3.344 2.518 1.00 0.00 C ATOM 750 CD1 LEU A 52 -9.349 -4.042 3.875 1.00 0.00 C ATOM 751 CD2 LEU A 52 -7.788 -3.140 2.090 1.00 0.00 C ATOM 0 H LEU A 52 -8.927 -3.208 -0.717 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.689 -3.703 0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.789 -4.708 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.348 -4.796 0.950 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.687 -2.355 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.782 -3.481 4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.395 -4.092 4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.945 -5.052 3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.253 -2.597 2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.315 -4.110 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.758 -2.568 1.162 1.00 0.00 H new ATOM 763 N PRO A 53 -11.888 -1.650 1.799 1.00 0.00 N ATOM 764 CA PRO A 53 -12.225 -0.333 2.313 1.00 0.00 C ATOM 765 C PRO A 53 -11.120 0.196 3.230 1.00 0.00 C ATOM 766 O PRO A 53 -10.453 -0.578 3.914 1.00 0.00 O ATOM 767 CB PRO A 53 -13.553 -0.518 3.028 1.00 0.00 C ATOM 768 CG PRO A 53 -13.682 -2.009 3.289 1.00 0.00 C ATOM 769 CD PRO A 53 -12.641 -2.723 2.442 1.00 0.00 C ATOM 0 HA PRO A 53 -12.313 0.416 1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.576 0.045 3.961 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.379 -0.156 2.417 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.528 -2.226 4.346 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.684 -2.356 3.035 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -11.993 -3.349 3.055 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.110 -3.375 1.705 1.00 0.00 H new ATOM 777 N PRO A 54 -10.957 1.546 3.213 1.00 0.00 N ATOM 778 CA PRO A 54 -9.945 2.188 4.034 1.00 0.00 C ATOM 779 C PRO A 54 -10.372 2.223 5.503 1.00 0.00 C ATOM 780 O PRO A 54 -9.531 2.179 6.399 1.00 0.00 O ATOM 781 CB PRO A 54 -9.771 3.573 3.433 1.00 0.00 C ATOM 782 CG PRO A 54 -11.013 3.823 2.594 1.00 0.00 C ATOM 783 CD PRO A 54 -11.729 2.494 2.414 1.00 0.00 C ATOM 0 HA PRO A 54 -8.999 1.647 4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.669 4.327 4.213 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.870 3.623 2.821 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.666 4.545 3.084 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.741 4.245 1.626 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.762 2.551 2.756 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.757 2.198 1.365 1.00 0.00 H new ATOM 791 N ALA A 55 -11.679 2.302 5.704 1.00 0.00 N ATOM 792 CA ALA A 55 -12.228 2.344 7.049 1.00 0.00 C ATOM 793 C ALA A 55 -11.785 1.096 7.815 1.00 0.00 C ATOM 794 O ALA A 55 -11.604 1.142 9.031 1.00 0.00 O ATOM 795 CB ALA A 55 -13.751 2.472 6.975 1.00 0.00 C ATOM 0 H ALA A 55 -12.374 2.338 4.958 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.853 3.213 7.589 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.163 2.503 7.984 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.014 3.389 6.447 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.163 1.615 6.442 1.00 0.00 H new ATOM 801 N MET A 56 -11.622 0.011 7.072 1.00 0.00 N ATOM 802 CA MET A 56 -11.203 -1.247 7.666 1.00 0.00 C ATOM 803 C MET A 56 -9.752 -1.568 7.304 1.00 0.00 C ATOM 804 O MET A 56 -9.394 -2.732 7.134 1.00 0.00 O ATOM 805 CB MET A 56 -12.114 -2.373 7.173 1.00 0.00 C ATOM 806 CG MET A 56 -13.170 -2.724 8.223 1.00 0.00 C ATOM 807 SD MET A 56 -12.573 -4.036 9.275 1.00 0.00 S ATOM 808 CE MET A 56 -13.988 -4.247 10.342 1.00 0.00 C ATOM 0 H MET A 56 -11.773 -0.023 6.064 1.00 0.00 H new ATOM 0 HA MET A 56 -11.276 -1.157 8.750 1.00 0.00 H new ATOM 0 HB2 MET A 56 -12.603 -2.071 6.247 1.00 0.00 H new ATOM 0 HB3 MET A 56 -11.516 -3.255 6.944 1.00 0.00 H new ATOM 0 HG2 MET A 56 -13.405 -1.844 8.823 1.00 0.00 H new ATOM 0 HG3 MET A 56 -14.094 -3.032 7.733 1.00 0.00 H new ATOM 0 HE1 MET A 56 -13.783 -5.036 11.066 1.00 0.00 H new ATOM 0 HE2 MET A 56 -14.189 -3.314 10.869 1.00 0.00 H new ATOM 0 HE3 MET A 56 -14.857 -4.520 9.744 1.00 0.00 H new ATOM 818 N GLN A 57 -8.955 -0.514 7.197 1.00 0.00 N ATOM 819 CA GLN A 57 -7.551 -0.669 6.858 1.00 0.00 C ATOM 820 C GLN A 57 -6.673 -0.315 8.060 1.00 0.00 C ATOM 821 O GLN A 57 -7.091 0.437 8.939 1.00 0.00 O ATOM 822 CB GLN A 57 -7.184 0.182 5.641 1.00 0.00 C ATOM 823 CG GLN A 57 -7.230 -0.649 4.357 1.00 0.00 C ATOM 824 CD GLN A 57 -6.307 -0.059 3.288 1.00 0.00 C ATOM 825 OE1 GLN A 57 -5.096 -0.202 3.329 1.00 0.00 O ATOM 826 NE2 GLN A 57 -6.946 0.611 2.333 1.00 0.00 N ATOM 0 H GLN A 57 -9.255 0.450 7.339 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.373 -1.712 6.597 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.873 1.023 5.559 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.186 0.600 5.773 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.933 -1.675 4.573 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.252 -0.686 3.980 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.962 0.692 2.360 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.420 1.044 1.574 1.00 0.00 H new ATOM 835 N LYS A 58 -5.471 -0.874 8.059 1.00 0.00 N ATOM 836 CA LYS A 58 -4.531 -0.627 9.139 1.00 0.00 C ATOM 837 C LYS A 58 -3.198 -0.159 8.551 1.00 0.00 C ATOM 838 O LYS A 58 -2.338 -0.976 8.224 1.00 0.00 O ATOM 839 CB LYS A 58 -4.408 -1.861 10.036 1.00 0.00 C ATOM 840 CG LYS A 58 -3.357 -1.643 11.126 1.00 0.00 C ATOM 841 CD LYS A 58 -3.946 -1.901 12.514 1.00 0.00 C ATOM 842 CE LYS A 58 -4.619 -0.643 13.067 1.00 0.00 C ATOM 843 NZ LYS A 58 -6.077 -0.856 13.208 1.00 0.00 N ATOM 0 H LYS A 58 -5.127 -1.497 7.328 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.894 0.173 9.785 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.373 -2.080 10.494 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.138 -2.728 9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.510 -2.307 10.957 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.978 -0.623 11.072 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.672 -2.712 12.460 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.157 -2.224 13.193 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.187 -0.388 14.035 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.431 0.200 12.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.519 0.007 13.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.487 -1.078 12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.251 -1.647 13.861 1.00 0.00 H new ATOM 857 N VAL A 59 -3.068 1.154 8.434 1.00 0.00 N ATOM 858 CA VAL A 59 -1.854 1.740 7.891 1.00 0.00 C ATOM 859 C VAL A 59 -0.826 1.904 9.012 1.00 0.00 C ATOM 860 O VAL A 59 -0.884 2.865 9.777 1.00 0.00 O ATOM 861 CB VAL A 59 -2.181 3.057 7.182 1.00 0.00 C ATOM 862 CG1 VAL A 59 -0.990 3.543 6.353 1.00 0.00 C ATOM 863 CG2 VAL A 59 -3.433 2.917 6.314 1.00 0.00 C ATOM 0 H VAL A 59 -3.783 1.829 8.706 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.415 1.082 7.141 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.386 3.807 7.946 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.248 4.480 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.132 3.701 7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.740 2.794 5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.643 3.867 5.822 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.269 2.146 5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.280 2.638 6.940 1.00 0.00 H new ATOM 873 N MET A 60 0.092 0.950 9.073 1.00 0.00 N ATOM 874 CA MET A 60 1.131 0.976 10.088 1.00 0.00 C ATOM 875 C MET A 60 2.410 0.305 9.580 1.00 0.00 C ATOM 876 O MET A 60 2.396 -0.871 9.218 1.00 0.00 O ATOM 877 CB MET A 60 0.638 0.253 11.343 1.00 0.00 C ATOM 878 CG MET A 60 0.173 1.252 12.404 1.00 0.00 C ATOM 879 SD MET A 60 -0.056 0.420 13.966 1.00 0.00 S ATOM 880 CE MET A 60 1.643 0.069 14.383 1.00 0.00 C ATOM 0 H MET A 60 0.138 0.155 8.436 1.00 0.00 H new ATOM 0 HA MET A 60 1.357 2.016 10.323 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.183 -0.415 11.083 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.438 -0.367 11.748 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.908 2.049 12.512 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.761 1.719 12.091 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.792 0.214 15.453 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.876 -0.963 14.121 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.300 0.741 13.830 1.00 0.00 H new ATOM 890 N TYR A 61 3.483 1.081 9.570 1.00 0.00 N ATOM 891 CA TYR A 61 4.767 0.576 9.113 1.00 0.00 C ATOM 892 C TYR A 61 5.857 0.825 10.158 1.00 0.00 C ATOM 893 O TYR A 61 6.369 1.938 10.272 1.00 0.00 O ATOM 894 CB TYR A 61 5.103 1.364 7.845 1.00 0.00 C ATOM 895 CG TYR A 61 6.589 1.358 7.484 1.00 0.00 C ATOM 896 CD1 TYR A 61 7.348 0.226 7.704 1.00 0.00 C ATOM 897 CD2 TYR A 61 7.172 2.483 6.938 1.00 0.00 C ATOM 898 CE1 TYR A 61 8.747 0.220 7.364 1.00 0.00 C ATOM 899 CE2 TYR A 61 8.571 2.477 6.597 1.00 0.00 C ATOM 900 CZ TYR A 61 9.290 1.345 6.827 1.00 0.00 C ATOM 901 OH TYR A 61 10.611 1.339 6.506 1.00 0.00 O ATOM 0 H TYR A 61 3.490 2.056 9.871 1.00 0.00 H new ATOM 0 HA TYR A 61 4.716 -0.498 8.936 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.536 0.950 7.011 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.775 2.396 7.973 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.892 -0.655 8.131 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.579 3.369 6.766 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.352 -0.659 7.532 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.039 3.351 6.168 1.00 0.00 H new ATOM 0 HH TYR A 61 10.860 2.209 6.131 1.00 0.00 H new ATOM 911 N LYS A 62 6.180 -0.229 10.893 1.00 0.00 N ATOM 912 CA LYS A 62 7.199 -0.139 11.924 1.00 0.00 C ATOM 913 C LYS A 62 6.957 1.115 12.767 1.00 0.00 C ATOM 914 O LYS A 62 7.887 1.657 13.362 1.00 0.00 O ATOM 915 CB LYS A 62 8.596 -0.201 11.302 1.00 0.00 C ATOM 916 CG LYS A 62 9.217 -1.587 11.487 1.00 0.00 C ATOM 917 CD LYS A 62 10.352 -1.547 12.513 1.00 0.00 C ATOM 918 CE LYS A 62 11.694 -1.265 11.835 1.00 0.00 C ATOM 919 NZ LYS A 62 12.776 -2.036 12.487 1.00 0.00 N ATOM 0 H LYS A 62 5.753 -1.150 10.795 1.00 0.00 H new ATOM 0 HA LYS A 62 7.136 -0.993 12.598 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.536 0.036 10.240 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.236 0.553 11.761 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.452 -2.292 11.813 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.598 -1.949 10.532 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.148 -0.777 13.257 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.401 -2.498 13.044 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.637 -1.529 10.779 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.917 -0.199 11.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.680 -1.833 12.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.840 -1.765 13.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.569 -3.053 12.416 1.00 0.00 H new ATOM 933 N GLY A 63 5.702 1.539 12.791 1.00 0.00 N ATOM 934 CA GLY A 63 5.325 2.718 13.552 1.00 0.00 C ATOM 935 C GLY A 63 4.091 3.390 12.946 1.00 0.00 C ATOM 936 O GLY A 63 3.837 3.266 11.749 1.00 0.00 O ATOM 0 H GLY A 63 4.933 1.087 12.296 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.121 2.438 14.585 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.155 3.424 13.571 1.00 0.00 H new ATOM 940 N LEU A 64 3.357 4.088 13.800 1.00 0.00 N ATOM 941 CA LEU A 64 2.157 4.780 13.364 1.00 0.00 C ATOM 942 C LEU A 64 2.503 5.707 12.197 1.00 0.00 C ATOM 943 O LEU A 64 3.556 6.343 12.196 1.00 0.00 O ATOM 944 CB LEU A 64 1.493 5.496 14.542 1.00 0.00 C ATOM 945 CG LEU A 64 0.712 4.607 15.513 1.00 0.00 C ATOM 946 CD1 LEU A 64 -0.747 4.465 15.073 1.00 0.00 C ATOM 947 CD2 LEU A 64 1.394 3.249 15.683 1.00 0.00 C ATOM 0 H LEU A 64 3.571 4.189 14.792 1.00 0.00 H new ATOM 0 HA LEU A 64 1.419 4.067 12.997 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.265 6.023 15.103 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.815 6.252 14.147 1.00 0.00 H new ATOM 0 HG LEU A 64 0.708 5.089 16.490 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.280 3.829 15.780 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.216 5.449 15.045 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.786 4.016 14.080 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.819 2.637 16.378 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.450 2.746 14.717 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.401 3.394 16.075 1.00 0.00 H new ATOM 959 N VAL A 65 1.596 5.756 11.232 1.00 0.00 N ATOM 960 CA VAL A 65 1.792 6.595 10.062 1.00 0.00 C ATOM 961 C VAL A 65 0.834 7.786 10.128 1.00 0.00 C ATOM 962 O VAL A 65 -0.382 7.614 10.052 1.00 0.00 O ATOM 963 CB VAL A 65 1.627 5.763 8.789 1.00 0.00 C ATOM 964 CG1 VAL A 65 1.364 6.661 7.578 1.00 0.00 C ATOM 965 CG2 VAL A 65 2.846 4.870 8.554 1.00 0.00 C ATOM 0 H VAL A 65 0.723 5.228 11.237 1.00 0.00 H new ATOM 0 HA VAL A 65 2.806 6.995 10.043 1.00 0.00 H new ATOM 0 HB VAL A 65 0.760 5.116 8.922 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.250 6.045 6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.452 7.234 7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.202 7.344 7.443 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.702 4.290 7.643 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.737 5.490 8.452 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.969 4.193 9.399 1.00 0.00 H new ATOM 975 N PRO A 66 1.433 8.998 10.271 1.00 0.00 N ATOM 976 CA PRO A 66 0.646 10.217 10.347 1.00 0.00 C ATOM 977 C PRO A 66 0.106 10.608 8.970 1.00 0.00 C ATOM 978 O PRO A 66 0.875 10.940 8.069 1.00 0.00 O ATOM 979 CB PRO A 66 1.588 11.257 10.933 1.00 0.00 C ATOM 980 CG PRO A 66 2.991 10.710 10.730 1.00 0.00 C ATOM 981 CD PRO A 66 2.870 9.240 10.364 1.00 0.00 C ATOM 0 HA PRO A 66 -0.242 10.107 10.970 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.468 12.218 10.434 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.381 11.419 11.991 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.504 11.259 9.940 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.582 10.830 11.638 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.370 9.025 9.420 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.330 8.604 11.120 1.00 0.00 H new ATOM 989 N GLU A 67 -1.212 10.557 8.851 1.00 0.00 N ATOM 990 CA GLU A 67 -1.864 10.902 7.599 1.00 0.00 C ATOM 991 C GLU A 67 -1.749 12.404 7.337 1.00 0.00 C ATOM 992 O GLU A 67 -2.128 12.883 6.269 1.00 0.00 O ATOM 993 CB GLU A 67 -3.328 10.457 7.603 1.00 0.00 C ATOM 994 CG GLU A 67 -3.458 9.002 8.059 1.00 0.00 C ATOM 995 CD GLU A 67 -4.730 8.363 7.499 1.00 0.00 C ATOM 996 OE1 GLU A 67 -5.569 9.130 6.979 1.00 0.00 O ATOM 997 OE2 GLU A 67 -4.835 7.122 7.603 1.00 0.00 O ATOM 0 H GLU A 67 -1.846 10.282 9.601 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.359 10.372 6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.906 11.102 8.265 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.748 10.567 6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.587 8.435 7.730 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.474 8.959 9.148 1.00 0.00 H new ATOM 1004 N ASP A 68 -1.223 13.107 8.329 1.00 0.00 N ATOM 1005 CA ASP A 68 -1.053 14.546 8.219 1.00 0.00 C ATOM 1006 C ASP A 68 0.287 14.847 7.544 1.00 0.00 C ATOM 1007 O ASP A 68 0.554 15.987 7.167 1.00 0.00 O ATOM 1008 CB ASP A 68 -1.046 15.207 9.599 1.00 0.00 C ATOM 1009 CG ASP A 68 -2.104 16.293 9.801 1.00 0.00 C ATOM 1010 OD1 ASP A 68 -3.293 15.918 9.891 1.00 0.00 O ATOM 1011 OD2 ASP A 68 -1.701 17.475 9.861 1.00 0.00 O ATOM 0 H ASP A 68 -0.909 12.707 9.213 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.884 14.940 7.635 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.190 14.436 10.355 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.062 15.643 9.771 1.00 0.00 H new ATOM 1016 N LYS A 69 1.093 13.804 7.412 1.00 0.00 N ATOM 1017 CA LYS A 69 2.399 13.942 6.789 1.00 0.00 C ATOM 1018 C LYS A 69 2.511 12.953 5.626 1.00 0.00 C ATOM 1019 O LYS A 69 1.802 11.949 5.590 1.00 0.00 O ATOM 1020 CB LYS A 69 3.508 13.794 7.831 1.00 0.00 C ATOM 1021 CG LYS A 69 3.403 14.882 8.902 1.00 0.00 C ATOM 1022 CD LYS A 69 4.698 15.694 8.988 1.00 0.00 C ATOM 1023 CE LYS A 69 4.402 17.172 9.248 1.00 0.00 C ATOM 1024 NZ LYS A 69 4.973 17.595 10.546 1.00 0.00 N ATOM 0 H LYS A 69 0.867 12.860 7.726 1.00 0.00 H new ATOM 0 HA LYS A 69 2.518 14.942 6.371 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.444 12.811 8.298 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.481 13.852 7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.569 15.545 8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.191 14.426 9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.327 15.299 9.786 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.259 15.590 8.059 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.820 17.779 8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.325 17.339 9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.763 18.601 10.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.555 17.028 11.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.003 17.454 10.534 1.00 0.00 H new ATOM 1038 N THR A 70 3.409 13.272 4.705 1.00 0.00 N ATOM 1039 CA THR A 70 3.623 12.424 3.545 1.00 0.00 C ATOM 1040 C THR A 70 4.637 11.324 3.868 1.00 0.00 C ATOM 1041 O THR A 70 5.338 11.398 4.876 1.00 0.00 O ATOM 1042 CB THR A 70 4.048 13.318 2.378 1.00 0.00 C ATOM 1043 OG1 THR A 70 5.276 13.897 2.813 1.00 0.00 O ATOM 1044 CG2 THR A 70 3.117 14.518 2.190 1.00 0.00 C ATOM 0 H THR A 70 3.996 14.105 4.739 1.00 0.00 H new ATOM 0 HA THR A 70 2.708 11.905 3.260 1.00 0.00 H new ATOM 0 HB THR A 70 4.072 12.730 1.461 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.623 14.491 2.115 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.464 15.119 1.349 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.105 14.166 1.991 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.119 15.125 3.095 1.00 0.00 H new ATOM 1052 N LEU A 71 4.682 10.330 2.994 1.00 0.00 N ATOM 1053 CA LEU A 71 5.598 9.216 3.173 1.00 0.00 C ATOM 1054 C LEU A 71 7.008 9.756 3.417 1.00 0.00 C ATOM 1055 O LEU A 71 7.641 9.420 4.417 1.00 0.00 O ATOM 1056 CB LEU A 71 5.505 8.250 1.991 1.00 0.00 C ATOM 1057 CG LEU A 71 4.141 7.593 1.767 1.00 0.00 C ATOM 1058 CD1 LEU A 71 3.916 7.288 0.284 1.00 0.00 C ATOM 1059 CD2 LEU A 71 3.983 6.346 2.639 1.00 0.00 C ATOM 0 H LEU A 71 4.099 10.272 2.159 1.00 0.00 H new ATOM 0 HA LEU A 71 5.322 8.634 4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.780 8.789 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.246 7.463 2.131 1.00 0.00 H new ATOM 0 HG LEU A 71 3.368 8.299 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.940 6.822 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.955 8.215 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.693 6.610 -0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.005 5.899 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.763 5.626 2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.069 6.623 3.690 1.00 0.00 H new ATOM 1071 N ARG A 72 7.460 10.584 2.486 1.00 0.00 N ATOM 1072 CA ARG A 72 8.784 11.174 2.587 1.00 0.00 C ATOM 1073 C ARG A 72 8.932 11.921 3.914 1.00 0.00 C ATOM 1074 O ARG A 72 10.048 12.184 4.361 1.00 0.00 O ATOM 1075 CB ARG A 72 9.045 12.142 1.432 1.00 0.00 C ATOM 1076 CG ARG A 72 10.499 12.619 1.435 1.00 0.00 C ATOM 1077 CD ARG A 72 10.579 14.136 1.253 1.00 0.00 C ATOM 1078 NE ARG A 72 10.358 14.488 -0.167 1.00 0.00 N ATOM 1079 CZ ARG A 72 11.322 14.498 -1.097 1.00 0.00 C ATOM 1080 NH1 ARG A 72 12.579 14.176 -0.763 1.00 0.00 N ATOM 1081 NH2 ARG A 72 11.029 14.831 -2.362 1.00 0.00 N ATOM 0 H ARG A 72 6.932 10.860 1.658 1.00 0.00 H new ATOM 0 HA ARG A 72 9.513 10.365 2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.821 11.652 0.484 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.377 12.999 1.513 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.976 12.336 2.373 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.050 12.124 0.635 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.832 14.625 1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.554 14.499 1.579 1.00 0.00 H new ATOM 0 HE ARG A 72 9.412 14.739 -0.456 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.802 13.923 0.200 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.313 14.184 -1.471 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.072 15.077 -2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.763 14.839 -3.070 1.00 0.00 H new ATOM 1095 N GLU A 73 7.791 12.241 4.507 1.00 0.00 N ATOM 1096 CA GLU A 73 7.781 12.953 5.774 1.00 0.00 C ATOM 1097 C GLU A 73 7.711 11.963 6.938 1.00 0.00 C ATOM 1098 O GLU A 73 8.377 12.148 7.956 1.00 0.00 O ATOM 1099 CB GLU A 73 6.622 13.950 5.832 1.00 0.00 C ATOM 1100 CG GLU A 73 6.961 15.231 5.067 1.00 0.00 C ATOM 1101 CD GLU A 73 6.113 16.405 5.559 1.00 0.00 C ATOM 1102 OE1 GLU A 73 4.900 16.182 5.766 1.00 0.00 O ATOM 1103 OE2 GLU A 73 6.696 17.499 5.719 1.00 0.00 O ATOM 0 H GLU A 73 6.868 12.021 4.134 1.00 0.00 H new ATOM 0 HA GLU A 73 8.709 13.519 5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.726 13.496 5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.397 14.191 6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.018 15.464 5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.792 15.078 4.001 1.00 0.00 H new ATOM 1110 N ILE A 74 6.900 10.933 6.750 1.00 0.00 N ATOM 1111 CA ILE A 74 6.735 9.913 7.772 1.00 0.00 C ATOM 1112 C ILE A 74 7.987 9.035 7.817 1.00 0.00 C ATOM 1113 O ILE A 74 8.105 8.160 8.673 1.00 0.00 O ATOM 1114 CB ILE A 74 5.442 9.129 7.543 1.00 0.00 C ATOM 1115 CG1 ILE A 74 5.677 7.947 6.599 1.00 0.00 C ATOM 1116 CG2 ILE A 74 4.324 10.047 7.044 1.00 0.00 C ATOM 1117 CD1 ILE A 74 5.736 6.629 7.374 1.00 0.00 C ATOM 0 H ILE A 74 6.349 10.782 5.905 1.00 0.00 H new ATOM 0 HA ILE A 74 6.632 10.372 8.755 1.00 0.00 H new ATOM 0 HB ILE A 74 5.118 8.718 8.499 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.877 7.903 5.860 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.608 8.093 6.052 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.416 9.464 6.889 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.134 10.825 7.784 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.624 10.507 6.103 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.904 5.806 6.680 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.552 6.667 8.095 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.794 6.474 7.900 1.00 0.00 H new ATOM 1129 N LYS A 75 8.890 9.300 6.884 1.00 0.00 N ATOM 1130 CA LYS A 75 10.129 8.545 6.807 1.00 0.00 C ATOM 1131 C LYS A 75 9.890 7.262 6.008 1.00 0.00 C ATOM 1132 O LYS A 75 9.662 6.200 6.585 1.00 0.00 O ATOM 1133 CB LYS A 75 10.696 8.300 8.207 1.00 0.00 C ATOM 1134 CG LYS A 75 10.540 9.543 9.086 1.00 0.00 C ATOM 1135 CD LYS A 75 11.642 9.608 10.144 1.00 0.00 C ATOM 1136 CE LYS A 75 12.544 10.824 9.923 1.00 0.00 C ATOM 1137 NZ LYS A 75 12.861 11.476 11.213 1.00 0.00 N ATOM 0 H LYS A 75 8.788 10.027 6.175 1.00 0.00 H new ATOM 0 HA LYS A 75 10.890 9.116 6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.183 7.457 8.669 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.750 8.031 8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.574 10.438 8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.565 9.529 9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.195 9.658 11.137 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.239 8.697 10.109 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.465 10.516 9.429 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.050 11.535 9.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.474 12.299 11.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.980 11.788 11.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.352 10.800 11.832 1.00 0.00 H new ATOM 1151 N VAL A 76 9.951 7.402 4.692 1.00 0.00 N ATOM 1152 CA VAL A 76 9.744 6.268 3.807 1.00 0.00 C ATOM 1153 C VAL A 76 10.929 6.153 2.847 1.00 0.00 C ATOM 1154 O VAL A 76 11.540 7.158 2.485 1.00 0.00 O ATOM 1155 CB VAL A 76 8.401 6.404 3.087 1.00 0.00 C ATOM 1156 CG1 VAL A 76 8.306 5.425 1.915 1.00 0.00 C ATOM 1157 CG2 VAL A 76 7.236 6.211 4.059 1.00 0.00 C ATOM 0 H VAL A 76 10.141 8.284 4.217 1.00 0.00 H new ATOM 0 HA VAL A 76 9.698 5.341 4.378 1.00 0.00 H new ATOM 0 HB VAL A 76 8.337 7.415 2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.342 5.542 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.106 5.630 1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.402 4.404 2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.293 6.313 3.522 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.295 5.218 4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.289 6.965 4.845 1.00 0.00 H new ATOM 1167 N THR A 77 11.219 4.920 2.460 1.00 0.00 N ATOM 1168 CA THR A 77 12.320 4.661 1.548 1.00 0.00 C ATOM 1169 C THR A 77 11.910 3.628 0.496 1.00 0.00 C ATOM 1170 O THR A 77 10.790 3.119 0.524 1.00 0.00 O ATOM 1171 CB THR A 77 13.532 4.233 2.379 1.00 0.00 C ATOM 1172 OG1 THR A 77 12.999 3.296 3.311 1.00 0.00 O ATOM 1173 CG2 THR A 77 14.071 5.365 3.255 1.00 0.00 C ATOM 0 H THR A 77 10.710 4.089 2.761 1.00 0.00 H new ATOM 0 HA THR A 77 12.590 5.558 0.990 1.00 0.00 H new ATOM 0 HB THR A 77 14.322 3.881 1.715 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.718 2.965 3.890 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.930 5.008 3.823 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.375 6.200 2.624 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.293 5.695 3.943 1.00 0.00 H new ATOM 1181 N SER A 78 12.838 3.350 -0.408 1.00 0.00 N ATOM 1182 CA SER A 78 12.587 2.388 -1.467 1.00 0.00 C ATOM 1183 C SER A 78 12.798 0.966 -0.944 1.00 0.00 C ATOM 1184 O SER A 78 13.935 0.525 -0.776 1.00 0.00 O ATOM 1185 CB SER A 78 13.490 2.649 -2.674 1.00 0.00 C ATOM 1186 OG SER A 78 14.808 2.149 -2.472 1.00 0.00 O ATOM 0 H SER A 78 13.765 3.775 -0.429 1.00 0.00 H new ATOM 0 HA SER A 78 11.552 2.499 -1.791 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.057 2.182 -3.559 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.535 3.721 -2.869 1.00 0.00 H new ATOM 0 HG SER A 78 14.763 1.280 -2.021 1.00 0.00 H new ATOM 1192 N GLY A 79 11.687 0.288 -0.700 1.00 0.00 N ATOM 1193 CA GLY A 79 11.737 -1.075 -0.199 1.00 0.00 C ATOM 1194 C GLY A 79 11.132 -1.166 1.204 1.00 0.00 C ATOM 1195 O GLY A 79 11.385 -2.125 1.932 1.00 0.00 O ATOM 0 H GLY A 79 10.746 0.657 -0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.195 -1.735 -0.876 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.771 -1.420 -0.176 1.00 0.00 H new ATOM 1199 N ALA A 80 10.343 -0.156 1.540 1.00 0.00 N ATOM 1200 CA ALA A 80 9.700 -0.110 2.842 1.00 0.00 C ATOM 1201 C ALA A 80 8.644 -1.215 2.924 1.00 0.00 C ATOM 1202 O ALA A 80 8.453 -1.968 1.970 1.00 0.00 O ATOM 1203 CB ALA A 80 9.106 1.281 3.069 1.00 0.00 C ATOM 0 H ALA A 80 10.134 0.637 0.933 1.00 0.00 H new ATOM 0 HA ALA A 80 10.426 -0.288 3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.624 1.316 4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.900 2.027 3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.370 1.494 2.293 1.00 0.00 H new ATOM 1209 N LYS A 81 7.987 -1.277 4.073 1.00 0.00 N ATOM 1210 CA LYS A 81 6.956 -2.277 4.291 1.00 0.00 C ATOM 1211 C LYS A 81 5.649 -1.580 4.675 1.00 0.00 C ATOM 1212 O LYS A 81 5.665 -0.540 5.331 1.00 0.00 O ATOM 1213 CB LYS A 81 7.423 -3.314 5.315 1.00 0.00 C ATOM 1214 CG LYS A 81 6.697 -4.646 5.118 1.00 0.00 C ATOM 1215 CD LYS A 81 7.694 -5.798 4.979 1.00 0.00 C ATOM 1216 CE LYS A 81 8.400 -6.075 6.308 1.00 0.00 C ATOM 1217 NZ LYS A 81 9.298 -7.245 6.183 1.00 0.00 N ATOM 0 H LYS A 81 8.149 -0.651 4.862 1.00 0.00 H new ATOM 0 HA LYS A 81 6.764 -2.833 3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.498 -3.465 5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.241 -2.942 6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.036 -4.833 5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.069 -4.594 4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.174 -6.696 4.645 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.432 -5.555 4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.974 -5.199 6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.661 -6.258 7.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.769 -7.420 7.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.742 -8.082 5.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.014 -7.056 5.453 1.00 0.00 H new ATOM 1231 N ILE A 82 4.548 -2.182 4.249 1.00 0.00 N ATOM 1232 CA ILE A 82 3.234 -1.632 4.539 1.00 0.00 C ATOM 1233 C ILE A 82 2.285 -2.768 4.926 1.00 0.00 C ATOM 1234 O ILE A 82 2.031 -3.669 4.128 1.00 0.00 O ATOM 1235 CB ILE A 82 2.736 -0.787 3.366 1.00 0.00 C ATOM 1236 CG1 ILE A 82 3.696 0.369 3.076 1.00 0.00 C ATOM 1237 CG2 ILE A 82 1.307 -0.297 3.611 1.00 0.00 C ATOM 1238 CD1 ILE A 82 3.571 1.465 4.136 1.00 0.00 C ATOM 0 H ILE A 82 4.539 -3.045 3.705 1.00 0.00 H new ATOM 0 HA ILE A 82 3.284 -0.954 5.391 1.00 0.00 H new ATOM 0 HB ILE A 82 2.713 -1.417 2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.721 -0.002 3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.483 0.785 2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.977 0.301 2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.644 -1.154 3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.281 0.311 4.515 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.264 2.274 3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.552 1.851 4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.808 1.052 5.116 1.00 0.00 H new ATOM 1250 N MET A 83 1.786 -2.688 6.151 1.00 0.00 N ATOM 1251 CA MET A 83 0.870 -3.698 6.653 1.00 0.00 C ATOM 1252 C MET A 83 -0.584 -3.265 6.458 1.00 0.00 C ATOM 1253 O MET A 83 -0.914 -2.092 6.627 1.00 0.00 O ATOM 1254 CB MET A 83 1.137 -3.936 8.141 1.00 0.00 C ATOM 1255 CG MET A 83 2.483 -4.632 8.352 1.00 0.00 C ATOM 1256 SD MET A 83 2.257 -6.122 9.308 1.00 0.00 S ATOM 1257 CE MET A 83 3.499 -7.162 8.560 1.00 0.00 C ATOM 0 H MET A 83 1.999 -1.939 6.810 1.00 0.00 H new ATOM 0 HA MET A 83 1.033 -4.619 6.094 1.00 0.00 H new ATOM 0 HB2 MET A 83 1.128 -2.984 8.672 1.00 0.00 H new ATOM 0 HB3 MET A 83 0.338 -4.545 8.565 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.932 -4.873 7.388 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.172 -3.961 8.866 1.00 0.00 H new ATOM 0 HE1 MET A 83 3.029 -8.063 8.164 1.00 0.00 H new ATOM 0 HE2 MET A 83 3.987 -6.621 7.749 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.241 -7.439 9.309 1.00 0.00 H new ATOM 1267 N VAL A 84 -1.415 -4.235 6.106 1.00 0.00 N ATOM 1268 CA VAL A 84 -2.827 -3.969 5.886 1.00 0.00 C ATOM 1269 C VAL A 84 -3.660 -5.025 6.615 1.00 0.00 C ATOM 1270 O VAL A 84 -3.202 -6.148 6.822 1.00 0.00 O ATOM 1271 CB VAL A 84 -3.120 -3.907 4.386 1.00 0.00 C ATOM 1272 CG1 VAL A 84 -4.602 -3.628 4.128 1.00 0.00 C ATOM 1273 CG2 VAL A 84 -2.238 -2.864 3.697 1.00 0.00 C ATOM 0 H VAL A 84 -1.138 -5.207 5.968 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.102 -2.998 6.297 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.883 -4.881 3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.783 -3.589 3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.204 -4.423 4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.876 -2.673 4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.467 -2.841 2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.429 -1.882 4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.189 -3.125 3.837 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.869 -4.627 6.985 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.770 -5.525 7.686 1.00 0.00 C ATOM 1285 C VAL A 85 -7.206 -5.257 7.232 1.00 0.00 C ATOM 1286 O VAL A 85 -7.450 -4.350 6.438 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.584 -5.378 9.198 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -6.435 -4.230 9.745 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -5.902 -6.689 9.920 1.00 0.00 C ATOM 0 H VAL A 85 -5.245 -3.695 6.812 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.540 -6.562 7.443 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.537 -5.139 9.385 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.285 -4.147 10.821 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.140 -3.297 9.264 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.487 -4.427 9.540 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.762 -6.557 10.993 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.936 -6.972 9.721 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.235 -7.473 9.561 1.00 0.00 H new