USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=15 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 Set 1.1: A 44 GLN : amide:sc= 0.23 X(o=0.14,f=-0.091) USER MOD Set 1.2: A 47 HIS : no HE2:sc= -0.091 K(o=0.14,f=-1.6) USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0214) USER MOD Single : A 25 ASN : amide:sc= 0.082 K(o=0.082,f=-0.94) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0235 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=-0.072) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 110:sc= -0.165 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -134:sc= 1.09 (180deg=-0.518) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -15:sc= -2.8! USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.332 K(o=-0.33,f=-3.1!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 142:sc= -0.505 (180deg=-2.34!) 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= -1.64 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 180:sc= -0.108 USER MOD Single : A 81 LYS NZ :NH3+ -107:sc= -0.0087 (180deg=-0.309) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 154 N GLU A 16 11.575 8.929 -9.843 1.00 0.00 N ATOM 155 CA GLU A 16 11.027 7.587 -9.937 1.00 0.00 C ATOM 156 C GLU A 16 10.281 7.227 -8.650 1.00 0.00 C ATOM 157 O GLU A 16 10.794 7.435 -7.552 1.00 0.00 O ATOM 158 CB GLU A 16 12.125 6.565 -10.238 1.00 0.00 C ATOM 159 CG GLU A 16 11.542 5.311 -10.893 1.00 0.00 C ATOM 160 CD GLU A 16 12.097 4.043 -10.240 1.00 0.00 C ATOM 161 OE1 GLU A 16 11.803 3.847 -9.041 1.00 0.00 O ATOM 162 OE2 GLU A 16 12.802 3.299 -10.955 1.00 0.00 O ATOM 0 HA GLU A 16 10.318 7.563 -10.764 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.871 7.010 -10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.637 6.293 -9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.455 5.323 -10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.777 5.309 -11.957 1.00 0.00 H new ATOM 169 N LEU A 17 9.081 6.693 -8.829 1.00 0.00 N ATOM 170 CA LEU A 17 8.260 6.302 -7.696 1.00 0.00 C ATOM 171 C LEU A 17 9.092 5.444 -6.740 1.00 0.00 C ATOM 172 O LEU A 17 10.166 4.968 -7.103 1.00 0.00 O ATOM 173 CB LEU A 17 6.976 5.621 -8.174 1.00 0.00 C ATOM 174 CG LEU A 17 6.099 6.437 -9.126 1.00 0.00 C ATOM 175 CD1 LEU A 17 6.080 7.914 -8.725 1.00 0.00 C ATOM 176 CD2 LEU A 17 6.538 6.244 -10.578 1.00 0.00 C ATOM 0 H LEU A 17 8.658 6.522 -9.741 1.00 0.00 H new ATOM 0 HA LEU A 17 7.938 7.181 -7.138 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.246 4.688 -8.669 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.381 5.357 -7.300 1.00 0.00 H new ATOM 0 HG LEU A 17 5.076 6.068 -9.047 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.450 8.471 -9.418 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.683 8.012 -7.715 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.094 8.313 -8.756 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.898 6.835 -11.233 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.572 6.569 -10.692 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.457 5.190 -10.846 1.00 0.00 H new ATOM 188 N VAL A 18 8.563 5.273 -5.537 1.00 0.00 N ATOM 189 CA VAL A 18 9.243 4.481 -4.527 1.00 0.00 C ATOM 190 C VAL A 18 8.655 3.068 -4.511 1.00 0.00 C ATOM 191 O VAL A 18 7.458 2.888 -4.727 1.00 0.00 O ATOM 192 CB VAL A 18 9.156 5.180 -3.168 1.00 0.00 C ATOM 193 CG1 VAL A 18 7.710 5.548 -2.833 1.00 0.00 C ATOM 194 CG2 VAL A 18 9.772 4.314 -2.067 1.00 0.00 C ATOM 0 H VAL A 18 7.672 5.669 -5.240 1.00 0.00 H new ATOM 0 HA VAL A 18 10.303 4.389 -4.764 1.00 0.00 H new ATOM 0 HB VAL A 18 9.731 6.104 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.676 6.043 -1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.319 6.220 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.103 4.643 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.698 4.833 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.237 3.366 -2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.821 4.125 -2.297 1.00 0.00 H new ATOM 204 N ASP A 19 9.525 2.103 -4.254 1.00 0.00 N ATOM 205 CA ASP A 19 9.107 0.712 -4.208 1.00 0.00 C ATOM 206 C ASP A 19 8.520 0.406 -2.829 1.00 0.00 C ATOM 207 O ASP A 19 9.145 0.689 -1.808 1.00 0.00 O ATOM 208 CB ASP A 19 10.293 -0.227 -4.436 1.00 0.00 C ATOM 209 CG ASP A 19 9.946 -1.555 -5.113 1.00 0.00 C ATOM 210 OD1 ASP A 19 9.507 -2.468 -4.380 1.00 0.00 O ATOM 211 OD2 ASP A 19 10.127 -1.627 -6.348 1.00 0.00 O ATOM 0 H ASP A 19 10.517 2.256 -4.075 1.00 0.00 H new ATOM 0 HA ASP A 19 8.367 0.556 -4.993 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.035 0.290 -5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.760 -0.438 -3.474 1.00 0.00 H new ATOM 216 N LEU A 20 7.327 -0.168 -2.843 1.00 0.00 N ATOM 217 CA LEU A 20 6.648 -0.516 -1.606 1.00 0.00 C ATOM 218 C LEU A 20 6.010 -1.899 -1.750 1.00 0.00 C ATOM 219 O LEU A 20 5.599 -2.286 -2.843 1.00 0.00 O ATOM 220 CB LEU A 20 5.657 0.581 -1.212 1.00 0.00 C ATOM 221 CG LEU A 20 6.187 2.015 -1.267 1.00 0.00 C ATOM 222 CD1 LEU A 20 5.053 3.026 -1.080 1.00 0.00 C ATOM 223 CD2 LEU A 20 7.314 2.223 -0.253 1.00 0.00 C ATOM 0 H LEU A 20 6.812 -0.401 -3.692 1.00 0.00 H new ATOM 0 HA LEU A 20 7.362 -0.579 -0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.788 0.510 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.309 0.382 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 20 6.610 2.185 -2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.457 4.038 -1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.315 2.896 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.579 2.866 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.673 3.251 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.940 2.027 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.134 1.539 -0.475 1.00 0.00 H new ATOM 235 N LYS A 21 5.946 -2.606 -0.631 1.00 0.00 N ATOM 236 CA LYS A 21 5.365 -3.937 -0.620 1.00 0.00 C ATOM 237 C LYS A 21 4.027 -3.899 0.122 1.00 0.00 C ATOM 238 O LYS A 21 3.985 -3.615 1.318 1.00 0.00 O ATOM 239 CB LYS A 21 6.357 -4.950 -0.045 1.00 0.00 C ATOM 240 CG LYS A 21 7.381 -5.373 -1.101 1.00 0.00 C ATOM 241 CD LYS A 21 8.741 -5.662 -0.461 1.00 0.00 C ATOM 242 CE LYS A 21 9.879 -5.100 -1.314 1.00 0.00 C ATOM 243 NZ LYS A 21 10.980 -4.613 -0.454 1.00 0.00 N ATOM 0 H LYS A 21 6.287 -2.282 0.274 1.00 0.00 H new ATOM 0 HA LYS A 21 5.157 -4.270 -1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.871 -4.515 0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.819 -5.826 0.317 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.025 -6.261 -1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.486 -4.585 -1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.778 -5.223 0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.869 -6.738 -0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.251 -5.871 -1.989 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.507 -4.285 -1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.722 -4.189 -1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.614 -3.898 0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.379 -5.409 0.083 1.00 0.00 H new ATOM 257 N ILE A 22 2.968 -4.188 -0.618 1.00 0.00 N ATOM 258 CA ILE A 22 1.632 -4.190 -0.046 1.00 0.00 C ATOM 259 C ILE A 22 1.353 -5.557 0.582 1.00 0.00 C ATOM 260 O ILE A 22 0.881 -6.470 -0.095 1.00 0.00 O ATOM 261 CB ILE A 22 0.599 -3.772 -1.094 1.00 0.00 C ATOM 262 CG1 ILE A 22 1.162 -2.688 -2.016 1.00 0.00 C ATOM 263 CG2 ILE A 22 -0.710 -3.338 -0.431 1.00 0.00 C ATOM 264 CD1 ILE A 22 1.622 -1.470 -1.213 1.00 0.00 C ATOM 0 H ILE A 22 3.007 -4.423 -1.610 1.00 0.00 H new ATOM 0 HA ILE A 22 1.558 -3.451 0.752 1.00 0.00 H new ATOM 0 HB ILE A 22 0.373 -4.638 -1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.000 -3.090 -2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.401 -2.387 -2.736 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.427 -3.046 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.116 -4.167 0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.520 -2.492 0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.018 -0.715 -1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.777 -1.056 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.400 -1.770 -0.511 1.00 0.00 H new ATOM 276 N ILE A 23 1.656 -5.656 1.868 1.00 0.00 N ATOM 277 CA ILE A 23 1.444 -6.896 2.593 1.00 0.00 C ATOM 278 C ILE A 23 0.113 -6.821 3.344 1.00 0.00 C ATOM 279 O ILE A 23 -0.058 -5.984 4.230 1.00 0.00 O ATOM 280 CB ILE A 23 2.642 -7.202 3.495 1.00 0.00 C ATOM 281 CG1 ILE A 23 3.956 -7.078 2.721 1.00 0.00 C ATOM 282 CG2 ILE A 23 2.494 -8.573 4.157 1.00 0.00 C ATOM 283 CD1 ILE A 23 4.991 -8.080 3.234 1.00 0.00 C ATOM 0 H ILE A 23 2.047 -4.897 2.426 1.00 0.00 H new ATOM 0 HA ILE A 23 1.374 -7.735 1.900 1.00 0.00 H new ATOM 0 HB ILE A 23 2.667 -6.460 4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.775 -7.248 1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.346 -6.065 2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.359 -8.765 4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.588 -8.589 4.763 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.430 -9.343 3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.915 -7.971 2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.188 -7.891 4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.608 -9.093 3.112 1.00 0.00 H new ATOM 295 N TRP A 24 -0.796 -7.707 2.964 1.00 0.00 N ATOM 296 CA TRP A 24 -2.106 -7.751 3.590 1.00 0.00 C ATOM 297 C TRP A 24 -2.492 -9.220 3.775 1.00 0.00 C ATOM 298 O TRP A 24 -3.631 -9.605 3.511 1.00 0.00 O ATOM 299 CB TRP A 24 -3.131 -6.962 2.773 1.00 0.00 C ATOM 300 CG TRP A 24 -4.547 -6.996 3.352 1.00 0.00 C ATOM 301 CD1 TRP A 24 -4.912 -7.142 4.633 1.00 0.00 C ATOM 302 CD2 TRP A 24 -5.781 -6.875 2.613 1.00 0.00 C ATOM 303 NE1 TRP A 24 -6.285 -7.124 4.774 1.00 0.00 N ATOM 304 CE2 TRP A 24 -6.830 -6.956 3.507 1.00 0.00 C ATOM 305 CE3 TRP A 24 -6.004 -6.703 1.236 1.00 0.00 C ATOM 306 CZ2 TRP A 24 -8.173 -6.875 3.121 1.00 0.00 C ATOM 307 CZ3 TRP A 24 -7.352 -6.624 0.867 1.00 0.00 C ATOM 308 CH2 TRP A 24 -8.419 -6.704 1.753 1.00 0.00 C ATOM 0 H TRP A 24 -0.651 -8.400 2.230 1.00 0.00 H new ATOM 0 HA TRP A 24 -2.082 -7.271 4.568 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.803 -5.925 2.702 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -3.155 -7.359 1.758 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -4.219 -7.259 5.453 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.804 -7.217 5.647 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -5.199 -6.637 0.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -8.976 -6.941 3.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -7.579 -6.491 -0.181 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.433 -6.635 1.389 1.00 0.00 H new ATOM 319 N ASN A 25 -1.523 -10.001 4.228 1.00 0.00 N ATOM 320 CA ASN A 25 -1.747 -11.419 4.451 1.00 0.00 C ATOM 321 C ASN A 25 -0.398 -12.133 4.563 1.00 0.00 C ATOM 322 O ASN A 25 -0.155 -12.861 5.525 1.00 0.00 O ATOM 323 CB ASN A 25 -2.517 -12.045 3.287 1.00 0.00 C ATOM 324 CG ASN A 25 -3.873 -12.581 3.752 1.00 0.00 C ATOM 325 OD1 ASN A 25 -4.248 -13.711 3.484 1.00 0.00 O ATOM 326 ND2 ASN A 25 -4.585 -11.710 4.461 1.00 0.00 N ATOM 0 H ASN A 25 -0.580 -9.679 4.447 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.327 -11.528 5.368 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.665 -11.302 2.503 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.931 -12.855 2.853 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.504 -11.972 4.817 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.212 -10.780 4.649 1.00 0.00 H new ATOM 333 N LYS A 26 0.444 -11.900 3.567 1.00 0.00 N ATOM 334 CA LYS A 26 1.762 -12.511 3.542 1.00 0.00 C ATOM 335 C LYS A 26 2.470 -12.133 2.240 1.00 0.00 C ATOM 336 O LYS A 26 3.681 -11.921 2.227 1.00 0.00 O ATOM 337 CB LYS A 26 1.656 -14.020 3.769 1.00 0.00 C ATOM 338 CG LYS A 26 0.576 -14.635 2.876 1.00 0.00 C ATOM 339 CD LYS A 26 1.145 -15.779 2.034 1.00 0.00 C ATOM 340 CE LYS A 26 0.314 -15.994 0.768 1.00 0.00 C ATOM 341 NZ LYS A 26 -0.213 -17.376 0.723 1.00 0.00 N ATOM 0 H LYS A 26 0.239 -11.296 2.771 1.00 0.00 H new ATOM 0 HA LYS A 26 2.374 -12.131 4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.617 -14.491 3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.424 -14.218 4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.243 -15.005 3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.161 -13.869 2.221 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.177 -15.557 1.762 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.161 -16.696 2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.511 -15.283 0.742 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.927 -15.803 -0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.775 -17.505 -0.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.579 -18.050 0.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.814 -17.545 1.554 1.00 0.00 H new ATOM 355 N THR A 27 1.684 -12.059 1.176 1.00 0.00 N ATOM 356 CA THR A 27 2.221 -11.710 -0.128 1.00 0.00 C ATOM 357 C THR A 27 2.736 -10.269 -0.125 1.00 0.00 C ATOM 358 O THR A 27 2.373 -9.479 0.745 1.00 0.00 O ATOM 359 CB THR A 27 1.130 -11.963 -1.172 1.00 0.00 C ATOM 360 OG1 THR A 27 0.477 -13.143 -0.712 1.00 0.00 O ATOM 361 CG2 THR A 27 1.704 -12.361 -2.533 1.00 0.00 C ATOM 0 H THR A 27 0.679 -12.235 1.190 1.00 0.00 H new ATOM 0 HA THR A 27 3.082 -12.329 -0.379 1.00 0.00 H new ATOM 0 HB THR A 27 0.519 -11.067 -1.284 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.247 -13.378 -1.330 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.889 -12.529 -3.237 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.346 -11.562 -2.905 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.287 -13.276 -2.428 1.00 0.00 H new ATOM 369 N LYS A 28 3.572 -9.971 -1.108 1.00 0.00 N ATOM 370 CA LYS A 28 4.141 -8.640 -1.229 1.00 0.00 C ATOM 371 C LYS A 28 3.923 -8.124 -2.653 1.00 0.00 C ATOM 372 O LYS A 28 4.631 -8.523 -3.577 1.00 0.00 O ATOM 373 CB LYS A 28 5.607 -8.641 -0.794 1.00 0.00 C ATOM 374 CG LYS A 28 6.504 -9.219 -1.890 1.00 0.00 C ATOM 375 CD LYS A 28 7.771 -9.837 -1.294 1.00 0.00 C ATOM 376 CE LYS A 28 8.256 -11.015 -2.141 1.00 0.00 C ATOM 377 NZ LYS A 28 9.714 -11.209 -1.973 1.00 0.00 N ATOM 0 H LYS A 28 3.869 -10.629 -1.829 1.00 0.00 H new ATOM 0 HA LYS A 28 3.634 -7.948 -0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.921 -7.624 -0.561 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.719 -9.226 0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.956 -9.975 -2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.775 -8.433 -2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.554 -9.082 -1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.572 -10.173 -0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.727 -11.922 -1.850 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.026 -10.835 -3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.027 -12.012 -2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.216 -10.349 -2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.926 -11.402 -0.973 1.00 0.00 H new ATOM 391 N HIS A 29 2.940 -7.246 -2.787 1.00 0.00 N ATOM 392 CA HIS A 29 2.620 -6.672 -4.083 1.00 0.00 C ATOM 393 C HIS A 29 3.526 -5.467 -4.348 1.00 0.00 C ATOM 394 O HIS A 29 3.341 -4.405 -3.757 1.00 0.00 O ATOM 395 CB HIS A 29 1.133 -6.326 -4.171 1.00 0.00 C ATOM 396 CG HIS A 29 0.216 -7.519 -4.045 1.00 0.00 C ATOM 397 ND1 HIS A 29 0.438 -8.710 -4.715 1.00 0.00 N ATOM 398 CD2 HIS A 29 -0.925 -7.693 -3.318 1.00 0.00 C ATOM 399 CE1 HIS A 29 -0.532 -9.555 -4.399 1.00 0.00 C ATOM 400 NE2 HIS A 29 -1.377 -8.923 -3.534 1.00 0.00 N ATOM 0 H HIS A 29 2.354 -6.918 -2.019 1.00 0.00 H new ATOM 0 HA HIS A 29 2.810 -7.405 -4.867 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.890 -5.610 -3.386 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.941 -5.832 -5.124 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.383 -6.956 -2.676 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.636 -10.567 -4.762 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.217 -9.328 -3.121 1.00 0.00 H new ATOM 408 N ASP A 30 4.485 -5.674 -5.238 1.00 0.00 N ATOM 409 CA ASP A 30 5.420 -4.618 -5.590 1.00 0.00 C ATOM 410 C ASP A 30 4.687 -3.540 -6.390 1.00 0.00 C ATOM 411 O ASP A 30 4.318 -3.761 -7.543 1.00 0.00 O ATOM 412 CB ASP A 30 6.560 -5.158 -6.456 1.00 0.00 C ATOM 413 CG ASP A 30 7.484 -6.158 -5.758 1.00 0.00 C ATOM 414 OD1 ASP A 30 7.821 -5.896 -4.584 1.00 0.00 O ATOM 415 OD2 ASP A 30 7.832 -7.163 -6.416 1.00 0.00 O ATOM 0 H ASP A 30 4.635 -6.557 -5.726 1.00 0.00 H new ATOM 0 HA ASP A 30 5.831 -4.210 -4.667 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.132 -5.636 -7.337 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.158 -4.318 -6.808 1.00 0.00 H new ATOM 420 N VAL A 31 4.499 -2.396 -5.748 1.00 0.00 N ATOM 421 CA VAL A 31 3.818 -1.283 -6.387 1.00 0.00 C ATOM 422 C VAL A 31 4.729 -0.054 -6.368 1.00 0.00 C ATOM 423 O VAL A 31 5.543 0.105 -5.460 1.00 0.00 O ATOM 424 CB VAL A 31 2.468 -1.038 -5.708 1.00 0.00 C ATOM 425 CG1 VAL A 31 1.405 -2.002 -6.237 1.00 0.00 C ATOM 426 CG2 VAL A 31 2.593 -1.140 -4.187 1.00 0.00 C ATOM 0 H VAL A 31 4.806 -2.216 -4.792 1.00 0.00 H new ATOM 0 HA VAL A 31 3.605 -1.513 -7.431 1.00 0.00 H new ATOM 0 HB VAL A 31 2.150 -0.024 -5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.456 -1.806 -5.738 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.287 -1.859 -7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.714 -3.028 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.620 -0.962 -3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.944 -2.136 -3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.304 -0.395 -3.830 1.00 0.00 H new ATOM 436 N LYS A 32 4.561 0.783 -7.381 1.00 0.00 N ATOM 437 CA LYS A 32 5.358 1.993 -7.492 1.00 0.00 C ATOM 438 C LYS A 32 4.475 3.209 -7.202 1.00 0.00 C ATOM 439 O LYS A 32 3.458 3.414 -7.863 1.00 0.00 O ATOM 440 CB LYS A 32 6.057 2.051 -8.851 1.00 0.00 C ATOM 441 CG LYS A 32 5.204 2.802 -9.875 1.00 0.00 C ATOM 442 CD LYS A 32 5.652 2.482 -11.303 1.00 0.00 C ATOM 443 CE LYS A 32 4.476 2.569 -12.279 1.00 0.00 C ATOM 444 NZ LYS A 32 4.733 1.737 -13.475 1.00 0.00 N ATOM 0 H LYS A 32 3.885 0.647 -8.132 1.00 0.00 H new ATOM 0 HA LYS A 32 6.155 1.993 -6.749 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.023 2.544 -8.746 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.252 1.039 -9.207 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.156 2.530 -9.750 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.279 3.875 -9.699 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.434 3.178 -11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.084 1.482 -11.337 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.562 2.237 -11.787 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.319 3.606 -12.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.926 1.807 -14.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.594 2.072 -13.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.860 0.746 -13.187 1.00 0.00 H new ATOM 458 N VAL A 33 4.896 3.983 -6.213 1.00 0.00 N ATOM 459 CA VAL A 33 4.156 5.173 -5.827 1.00 0.00 C ATOM 460 C VAL A 33 5.142 6.280 -5.447 1.00 0.00 C ATOM 461 O VAL A 33 6.247 6.000 -4.985 1.00 0.00 O ATOM 462 CB VAL A 33 3.172 4.836 -4.705 1.00 0.00 C ATOM 463 CG1 VAL A 33 2.422 3.537 -5.004 1.00 0.00 C ATOM 464 CG2 VAL A 33 3.887 4.758 -3.354 1.00 0.00 C ATOM 0 H VAL A 33 5.740 3.810 -5.667 1.00 0.00 H new ATOM 0 HA VAL A 33 3.561 5.541 -6.663 1.00 0.00 H new ATOM 0 HB VAL A 33 2.439 5.640 -4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.729 3.321 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.866 3.644 -5.935 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.136 2.719 -5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.165 4.517 -2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.653 3.983 -3.392 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.353 5.718 -3.133 1.00 0.00 H new ATOM 474 N PRO A 34 4.694 7.546 -5.661 1.00 0.00 N ATOM 475 CA PRO A 34 5.524 8.696 -5.345 1.00 0.00 C ATOM 476 C PRO A 34 5.581 8.934 -3.835 1.00 0.00 C ATOM 477 O PRO A 34 4.589 8.737 -3.134 1.00 0.00 O ATOM 478 CB PRO A 34 4.898 9.853 -6.106 1.00 0.00 C ATOM 479 CG PRO A 34 3.483 9.414 -6.443 1.00 0.00 C ATOM 480 CD PRO A 34 3.391 7.915 -6.206 1.00 0.00 C ATOM 0 HA PRO A 34 6.564 8.558 -5.641 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.892 10.760 -5.502 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.463 10.077 -7.011 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.761 9.944 -5.822 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.246 9.652 -7.480 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.588 7.673 -5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.183 7.380 -7.132 1.00 0.00 H new ATOM 488 N LEU A 35 6.751 9.355 -3.378 1.00 0.00 N ATOM 489 CA LEU A 35 6.949 9.622 -1.963 1.00 0.00 C ATOM 490 C LEU A 35 6.145 10.861 -1.565 1.00 0.00 C ATOM 491 O LEU A 35 5.957 11.128 -0.379 1.00 0.00 O ATOM 492 CB LEU A 35 8.442 9.727 -1.642 1.00 0.00 C ATOM 493 CG LEU A 35 8.903 9.030 -0.361 1.00 0.00 C ATOM 494 CD1 LEU A 35 8.612 7.529 -0.419 1.00 0.00 C ATOM 495 CD2 LEU A 35 10.379 9.317 -0.082 1.00 0.00 C ATOM 0 H LEU A 35 7.571 9.518 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 35 6.575 8.793 -1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.003 9.313 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.705 10.782 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 35 8.332 9.437 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.949 7.057 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.540 7.370 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.139 7.089 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.681 8.810 0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.984 8.955 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.525 10.391 0.033 1.00 0.00 H new ATOM 507 N ASP A 36 5.693 11.585 -2.578 1.00 0.00 N ATOM 508 CA ASP A 36 4.914 12.790 -2.349 1.00 0.00 C ATOM 509 C ASP A 36 3.539 12.406 -1.799 1.00 0.00 C ATOM 510 O ASP A 36 2.850 13.234 -1.205 1.00 0.00 O ATOM 511 CB ASP A 36 4.703 13.566 -3.650 1.00 0.00 C ATOM 512 CG ASP A 36 4.623 15.085 -3.492 1.00 0.00 C ATOM 513 OD1 ASP A 36 4.369 15.524 -2.349 1.00 0.00 O ATOM 514 OD2 ASP A 36 4.818 15.774 -4.516 1.00 0.00 O ATOM 0 H ASP A 36 5.851 11.360 -3.560 1.00 0.00 H new ATOM 0 HA ASP A 36 5.460 13.415 -1.642 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.519 13.330 -4.333 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.783 13.216 -4.119 1.00 0.00 H new ATOM 519 N SER A 37 3.180 11.149 -2.017 1.00 0.00 N ATOM 520 CA SER A 37 1.899 10.645 -1.551 1.00 0.00 C ATOM 521 C SER A 37 1.728 10.949 -0.061 1.00 0.00 C ATOM 522 O SER A 37 2.622 10.676 0.739 1.00 0.00 O ATOM 523 CB SER A 37 1.775 9.141 -1.803 1.00 0.00 C ATOM 524 OG SER A 37 1.029 8.858 -2.983 1.00 0.00 O ATOM 0 H SER A 37 3.754 10.465 -2.510 1.00 0.00 H new ATOM 0 HA SER A 37 1.110 11.147 -2.111 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.770 8.705 -1.890 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.293 8.668 -0.947 1.00 0.00 H new ATOM 0 HG SER A 37 1.629 8.503 -3.672 1.00 0.00 H new ATOM 530 N THR A 38 0.574 11.511 0.266 1.00 0.00 N ATOM 531 CA THR A 38 0.274 11.856 1.646 1.00 0.00 C ATOM 532 C THR A 38 -0.039 10.595 2.454 1.00 0.00 C ATOM 533 O THR A 38 -0.684 9.676 1.952 1.00 0.00 O ATOM 534 CB THR A 38 -0.868 12.874 1.641 1.00 0.00 C ATOM 535 OG1 THR A 38 -1.845 12.296 0.780 1.00 0.00 O ATOM 536 CG2 THR A 38 -0.484 14.181 0.945 1.00 0.00 C ATOM 0 H THR A 38 -0.165 11.736 -0.400 1.00 0.00 H new ATOM 0 HA THR A 38 1.134 12.313 2.136 1.00 0.00 H new ATOM 0 HB THR A 38 -1.171 13.084 2.667 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.622 12.891 0.721 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.330 14.868 0.969 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.365 14.632 1.460 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.213 13.976 -0.091 1.00 0.00 H new ATOM 544 N GLY A 39 0.431 10.593 3.693 1.00 0.00 N ATOM 545 CA GLY A 39 0.210 9.461 4.576 1.00 0.00 C ATOM 546 C GLY A 39 -1.197 8.888 4.390 1.00 0.00 C ATOM 547 O GLY A 39 -1.416 7.694 4.589 1.00 0.00 O ATOM 0 H GLY A 39 0.964 11.358 4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.951 8.688 4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.346 9.771 5.612 1.00 0.00 H new ATOM 551 N SER A 40 -2.114 9.767 4.012 1.00 0.00 N ATOM 552 CA SER A 40 -3.493 9.364 3.798 1.00 0.00 C ATOM 553 C SER A 40 -3.640 8.711 2.422 1.00 0.00 C ATOM 554 O SER A 40 -4.212 7.629 2.303 1.00 0.00 O ATOM 555 CB SER A 40 -4.441 10.558 3.922 1.00 0.00 C ATOM 556 OG SER A 40 -5.579 10.428 3.074 1.00 0.00 O ATOM 0 H SER A 40 -1.929 10.757 3.849 1.00 0.00 H new ATOM 0 HA SER A 40 -3.761 8.640 4.567 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.769 10.654 4.957 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.905 11.474 3.672 1.00 0.00 H new ATOM 0 HG SER A 40 -6.160 11.210 3.184 1.00 0.00 H new ATOM 562 N GLU A 41 -3.114 9.396 1.418 1.00 0.00 N ATOM 563 CA GLU A 41 -3.179 8.897 0.055 1.00 0.00 C ATOM 564 C GLU A 41 -2.966 7.382 0.035 1.00 0.00 C ATOM 565 O GLU A 41 -3.595 6.673 -0.749 1.00 0.00 O ATOM 566 CB GLU A 41 -2.160 9.606 -0.839 1.00 0.00 C ATOM 567 CG GLU A 41 -2.842 10.644 -1.731 1.00 0.00 C ATOM 568 CD GLU A 41 -1.985 10.959 -2.960 1.00 0.00 C ATOM 569 OE1 GLU A 41 -1.137 11.870 -2.842 1.00 0.00 O ATOM 570 OE2 GLU A 41 -2.198 10.282 -3.988 1.00 0.00 O ATOM 0 H GLU A 41 -2.640 10.293 1.521 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.171 9.111 -0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.405 10.092 -0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.642 8.873 -1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.816 10.272 -2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.019 11.557 -1.163 1.00 0.00 H new ATOM 577 N LEU A 42 -2.076 6.930 0.906 1.00 0.00 N ATOM 578 CA LEU A 42 -1.772 5.512 0.998 1.00 0.00 C ATOM 579 C LEU A 42 -3.067 4.707 0.869 1.00 0.00 C ATOM 580 O LEU A 42 -3.133 3.750 0.100 1.00 0.00 O ATOM 581 CB LEU A 42 -0.988 5.214 2.277 1.00 0.00 C ATOM 582 CG LEU A 42 0.535 5.168 2.135 1.00 0.00 C ATOM 583 CD1 LEU A 42 1.218 5.366 3.489 1.00 0.00 C ATOM 584 CD2 LEU A 42 0.983 3.874 1.451 1.00 0.00 C ATOM 0 H LEU A 42 -1.555 7.521 1.554 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.124 5.208 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.241 5.971 3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.325 4.255 2.671 1.00 0.00 H new ATOM 0 HG LEU A 42 0.843 5.994 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.300 5.329 3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.935 6.334 3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.907 4.576 4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.069 3.867 1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.661 3.018 2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.538 3.814 0.458 1.00 0.00 H new ATOM 596 N LYS A 43 -4.065 5.126 1.634 1.00 0.00 N ATOM 597 CA LYS A 43 -5.354 4.457 1.615 1.00 0.00 C ATOM 598 C LYS A 43 -5.760 4.181 0.166 1.00 0.00 C ATOM 599 O LYS A 43 -5.824 3.027 -0.256 1.00 0.00 O ATOM 600 CB LYS A 43 -6.389 5.266 2.400 1.00 0.00 C ATOM 601 CG LYS A 43 -6.128 5.177 3.905 1.00 0.00 C ATOM 602 CD LYS A 43 -6.496 3.794 4.445 1.00 0.00 C ATOM 603 CE LYS A 43 -6.668 3.826 5.965 1.00 0.00 C ATOM 604 NZ LYS A 43 -7.882 4.589 6.332 1.00 0.00 N ATOM 0 H LYS A 43 -4.006 5.921 2.271 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.289 3.492 2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.358 6.308 2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.390 4.895 2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.077 5.383 4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.708 5.940 4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.420 3.452 3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.719 3.077 4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.740 2.809 6.351 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.792 4.281 6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.659 5.245 7.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.215 5.129 5.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.626 3.931 6.639 1.00 0.00 H new ATOM 618 N GLN A 44 -6.022 5.260 -0.557 1.00 0.00 N ATOM 619 CA GLN A 44 -6.419 5.149 -1.951 1.00 0.00 C ATOM 620 C GLN A 44 -5.352 4.396 -2.748 1.00 0.00 C ATOM 621 O GLN A 44 -5.636 3.858 -3.817 1.00 0.00 O ATOM 622 CB GLN A 44 -6.686 6.528 -2.557 1.00 0.00 C ATOM 623 CG GLN A 44 -8.109 6.996 -2.249 1.00 0.00 C ATOM 624 CD GLN A 44 -9.056 6.670 -3.407 1.00 0.00 C ATOM 625 OE1 GLN A 44 -9.446 5.535 -3.622 1.00 0.00 O ATOM 626 NE2 GLN A 44 -9.401 7.727 -4.137 1.00 0.00 N ATOM 0 H GLN A 44 -5.967 6.215 -0.204 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.349 4.582 -2.000 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.969 7.248 -2.162 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.537 6.490 -3.636 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.464 6.516 -1.337 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.111 8.070 -2.065 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.037 8.650 -3.901 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.029 7.614 -4.933 1.00 0.00 H new ATOM 635 N LYS A 45 -4.147 4.383 -2.198 1.00 0.00 N ATOM 636 CA LYS A 45 -3.037 3.705 -2.845 1.00 0.00 C ATOM 637 C LYS A 45 -3.151 2.199 -2.599 1.00 0.00 C ATOM 638 O LYS A 45 -2.764 1.397 -3.448 1.00 0.00 O ATOM 639 CB LYS A 45 -1.705 4.304 -2.388 1.00 0.00 C ATOM 640 CG LYS A 45 -0.890 4.803 -3.583 1.00 0.00 C ATOM 641 CD LYS A 45 -1.683 5.825 -4.399 1.00 0.00 C ATOM 642 CE LYS A 45 -0.917 7.143 -4.522 1.00 0.00 C ATOM 643 NZ LYS A 45 -1.080 7.714 -5.878 1.00 0.00 N ATOM 0 H LYS A 45 -3.915 4.831 -1.312 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.075 3.855 -3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.890 5.129 -1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.133 3.554 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.038 5.254 -3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.615 3.960 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.885 5.424 -5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.648 6.004 -3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.279 7.851 -3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.140 6.976 -4.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.553 8.608 -5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.713 7.044 -6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.088 7.892 -6.061 1.00 0.00 H new ATOM 657 N ILE A 46 -3.683 1.861 -1.434 1.00 0.00 N ATOM 658 CA ILE A 46 -3.853 0.465 -1.066 1.00 0.00 C ATOM 659 C ILE A 46 -5.222 -0.021 -1.547 1.00 0.00 C ATOM 660 O ILE A 46 -5.333 -1.104 -2.120 1.00 0.00 O ATOM 661 CB ILE A 46 -3.626 0.276 0.435 1.00 0.00 C ATOM 662 CG1 ILE A 46 -2.337 0.966 0.885 1.00 0.00 C ATOM 663 CG2 ILE A 46 -3.643 -1.208 0.808 1.00 0.00 C ATOM 664 CD1 ILE A 46 -2.460 1.473 2.323 1.00 0.00 C ATOM 0 H ILE A 46 -4.002 2.529 -0.732 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.103 -0.154 -1.559 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.449 0.752 0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.502 0.269 0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.115 1.800 0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.479 -1.316 1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.609 -1.639 0.543 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.853 -1.728 0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.530 1.959 2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.280 2.188 2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.658 0.633 2.989 1.00 0.00 H new ATOM 676 N HIS A 47 -6.229 0.802 -1.297 1.00 0.00 N ATOM 677 CA HIS A 47 -7.585 0.469 -1.697 1.00 0.00 C ATOM 678 C HIS A 47 -7.625 0.200 -3.202 1.00 0.00 C ATOM 679 O HIS A 47 -8.522 -0.485 -3.691 1.00 0.00 O ATOM 680 CB HIS A 47 -8.563 1.564 -1.265 1.00 0.00 C ATOM 681 CG HIS A 47 -9.806 1.649 -2.119 1.00 0.00 C ATOM 682 ND1 HIS A 47 -10.020 2.667 -3.031 1.00 0.00 N ATOM 683 CD2 HIS A 47 -10.896 0.832 -2.189 1.00 0.00 C ATOM 684 CE1 HIS A 47 -11.190 2.463 -3.618 1.00 0.00 C ATOM 685 NE2 HIS A 47 -11.732 1.326 -3.095 1.00 0.00 N ATOM 0 H HIS A 47 -6.133 1.700 -0.822 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.903 -0.443 -1.191 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.857 1.387 -0.230 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -8.050 2.526 -1.291 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -9.385 3.443 -3.219 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -11.053 -0.064 -1.607 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -11.636 3.088 -4.378 1.00 0.00 H new ATOM 693 N SER A 48 -6.640 0.752 -3.896 1.00 0.00 N ATOM 694 CA SER A 48 -6.551 0.579 -5.336 1.00 0.00 C ATOM 695 C SER A 48 -6.009 -0.813 -5.664 1.00 0.00 C ATOM 696 O SER A 48 -6.127 -1.279 -6.796 1.00 0.00 O ATOM 697 CB SER A 48 -5.664 1.656 -5.966 1.00 0.00 C ATOM 698 OG SER A 48 -6.430 2.651 -6.640 1.00 0.00 O ATOM 0 H SER A 48 -5.897 1.319 -3.488 1.00 0.00 H new ATOM 0 HA SER A 48 -7.552 0.680 -5.755 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.060 2.127 -5.191 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.974 1.191 -6.670 1.00 0.00 H new ATOM 0 HG SER A 48 -5.828 3.321 -7.027 1.00 0.00 H new ATOM 704 N ILE A 49 -5.426 -1.440 -4.652 1.00 0.00 N ATOM 705 CA ILE A 49 -4.865 -2.770 -4.818 1.00 0.00 C ATOM 706 C ILE A 49 -5.663 -3.764 -3.972 1.00 0.00 C ATOM 707 O ILE A 49 -6.250 -4.706 -4.503 1.00 0.00 O ATOM 708 CB ILE A 49 -3.367 -2.762 -4.509 1.00 0.00 C ATOM 709 CG1 ILE A 49 -2.748 -1.400 -4.829 1.00 0.00 C ATOM 710 CG2 ILE A 49 -2.651 -3.902 -5.237 1.00 0.00 C ATOM 711 CD1 ILE A 49 -1.261 -1.376 -4.469 1.00 0.00 C ATOM 0 H ILE A 49 -5.330 -1.051 -3.714 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.951 -3.093 -5.855 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.238 -2.931 -3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.873 -1.180 -5.889 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.272 -0.620 -4.277 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.587 -3.874 -5.000 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.069 -4.857 -4.917 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.786 -3.789 -6.313 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.845 -0.397 -4.706 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.141 -1.573 -3.404 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.736 -2.141 -5.040 1.00 0.00 H new ATOM 723 N THR A 50 -5.659 -3.521 -2.670 1.00 0.00 N ATOM 724 CA THR A 50 -6.374 -4.384 -1.745 1.00 0.00 C ATOM 725 C THR A 50 -7.856 -4.452 -2.118 1.00 0.00 C ATOM 726 O THR A 50 -8.508 -5.474 -1.905 1.00 0.00 O ATOM 727 CB THR A 50 -6.128 -3.865 -0.327 1.00 0.00 C ATOM 728 OG1 THR A 50 -6.362 -2.462 -0.425 1.00 0.00 O ATOM 729 CG2 THR A 50 -4.659 -3.969 0.087 1.00 0.00 C ATOM 0 H THR A 50 -5.172 -2.739 -2.233 1.00 0.00 H new ATOM 0 HA THR A 50 -6.009 -5.410 -1.799 1.00 0.00 H new ATOM 0 HB THR A 50 -6.744 -4.425 0.376 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.364 -2.196 -1.368 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.539 -3.588 1.101 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.344 -5.012 0.052 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.046 -3.382 -0.597 1.00 0.00 H new ATOM 737 N GLY A 51 -8.346 -3.351 -2.669 1.00 0.00 N ATOM 738 CA GLY A 51 -9.740 -3.273 -3.074 1.00 0.00 C ATOM 739 C GLY A 51 -10.664 -3.242 -1.855 1.00 0.00 C ATOM 740 O GLY A 51 -11.885 -3.276 -1.997 1.00 0.00 O ATOM 0 H GLY A 51 -7.803 -2.506 -2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.898 -2.379 -3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.989 -4.129 -3.702 1.00 0.00 H new ATOM 744 N LEU A 52 -10.046 -3.177 -0.685 1.00 0.00 N ATOM 745 CA LEU A 52 -10.797 -3.141 0.558 1.00 0.00 C ATOM 746 C LEU A 52 -11.049 -1.685 0.954 1.00 0.00 C ATOM 747 O LEU A 52 -10.447 -0.772 0.392 1.00 0.00 O ATOM 748 CB LEU A 52 -10.087 -3.959 1.638 1.00 0.00 C ATOM 749 CG LEU A 52 -9.302 -3.157 2.678 1.00 0.00 C ATOM 750 CD1 LEU A 52 -9.444 -3.777 4.070 1.00 0.00 C ATOM 751 CD2 LEU A 52 -7.837 -3.008 2.264 1.00 0.00 C ATOM 0 H LEU A 52 -9.033 -3.148 -0.572 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.772 -3.610 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.832 -4.561 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.402 -4.652 1.150 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.726 -2.154 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.877 -3.188 4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.495 -3.788 4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.062 -4.798 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.302 -2.434 3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.384 -3.995 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.780 -2.489 1.307 1.00 0.00 H new ATOM 763 N PRO A 53 -11.963 -1.509 1.946 1.00 0.00 N ATOM 764 CA PRO A 53 -12.301 -0.179 2.424 1.00 0.00 C ATOM 765 C PRO A 53 -11.185 0.387 3.305 1.00 0.00 C ATOM 766 O PRO A 53 -10.500 -0.360 4.001 1.00 0.00 O ATOM 767 CB PRO A 53 -13.615 -0.351 3.168 1.00 0.00 C ATOM 768 CG PRO A 53 -13.728 -1.835 3.478 1.00 0.00 C ATOM 769 CD PRO A 53 -12.696 -2.567 2.635 1.00 0.00 C ATOM 0 HA PRO A 53 -12.408 0.544 1.615 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.626 0.241 4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.455 -0.014 2.560 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.554 -2.018 4.538 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.731 -2.197 3.253 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.032 -3.169 3.256 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.172 -3.245 1.927 1.00 0.00 H new ATOM 777 N PRO A 54 -11.034 1.737 3.244 1.00 0.00 N ATOM 778 CA PRO A 54 -10.013 2.412 4.027 1.00 0.00 C ATOM 779 C PRO A 54 -10.415 2.489 5.501 1.00 0.00 C ATOM 780 O PRO A 54 -9.560 2.445 6.385 1.00 0.00 O ATOM 781 CB PRO A 54 -9.861 3.779 3.381 1.00 0.00 C ATOM 782 CG PRO A 54 -11.120 3.993 2.556 1.00 0.00 C ATOM 783 CD PRO A 54 -11.828 2.654 2.430 1.00 0.00 C ATOM 0 HA PRO A 54 -9.062 1.879 4.028 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.752 4.558 4.136 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.971 3.817 2.753 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.770 4.725 3.035 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.869 4.386 1.571 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.855 2.714 2.789 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.872 2.325 1.392 1.00 0.00 H new ATOM 791 N ALA A 55 -11.717 2.603 5.722 1.00 0.00 N ATOM 792 CA ALA A 55 -12.242 2.687 7.074 1.00 0.00 C ATOM 793 C ALA A 55 -11.822 1.442 7.858 1.00 0.00 C ATOM 794 O ALA A 55 -11.684 1.491 9.079 1.00 0.00 O ATOM 795 CB ALA A 55 -13.762 2.857 7.021 1.00 0.00 C ATOM 0 H ALA A 55 -12.423 2.639 4.987 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.834 3.555 7.591 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.157 2.920 8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.007 3.770 6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.206 2.002 6.511 1.00 0.00 H new ATOM 801 N MET A 56 -11.630 0.356 7.123 1.00 0.00 N ATOM 802 CA MET A 56 -11.228 -0.899 7.735 1.00 0.00 C ATOM 803 C MET A 56 -9.785 -1.251 7.367 1.00 0.00 C ATOM 804 O MET A 56 -9.447 -2.424 7.217 1.00 0.00 O ATOM 805 CB MET A 56 -12.161 -2.017 7.266 1.00 0.00 C ATOM 806 CG MET A 56 -13.198 -2.352 8.339 1.00 0.00 C ATOM 807 SD MET A 56 -12.439 -3.300 9.647 1.00 0.00 S ATOM 808 CE MET A 56 -13.498 -4.737 9.643 1.00 0.00 C ATOM 0 H MET A 56 -11.745 0.319 6.110 1.00 0.00 H new ATOM 0 HA MET A 56 -11.291 -0.790 8.818 1.00 0.00 H new ATOM 0 HB2 MET A 56 -12.666 -1.713 6.349 1.00 0.00 H new ATOM 0 HB3 MET A 56 -11.578 -2.907 7.029 1.00 0.00 H new ATOM 0 HG2 MET A 56 -13.624 -1.434 8.744 1.00 0.00 H new ATOM 0 HG3 MET A 56 -14.019 -2.917 7.899 1.00 0.00 H new ATOM 0 HE1 MET A 56 -13.163 -5.438 10.407 1.00 0.00 H new ATOM 0 HE2 MET A 56 -14.524 -4.434 9.854 1.00 0.00 H new ATOM 0 HE3 MET A 56 -13.455 -5.218 8.666 1.00 0.00 H new ATOM 818 N GLN A 57 -8.972 -0.212 7.234 1.00 0.00 N ATOM 819 CA GLN A 57 -7.573 -0.397 6.887 1.00 0.00 C ATOM 820 C GLN A 57 -6.681 -0.063 8.084 1.00 0.00 C ATOM 821 O GLN A 57 -7.073 0.708 8.959 1.00 0.00 O ATOM 822 CB GLN A 57 -7.195 0.448 5.669 1.00 0.00 C ATOM 823 CG GLN A 57 -7.269 -0.379 4.383 1.00 0.00 C ATOM 824 CD GLN A 57 -6.356 0.204 3.303 1.00 0.00 C ATOM 825 OE1 GLN A 57 -5.212 0.555 3.543 1.00 0.00 O ATOM 826 NE2 GLN A 57 -6.923 0.287 2.103 1.00 0.00 N ATOM 0 H GLN A 57 -9.256 0.760 7.360 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.419 -1.444 6.625 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.865 1.304 5.594 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.187 0.842 5.794 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.980 -1.409 4.592 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.297 -0.404 4.021 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.885 -0.025 1.971 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.396 0.662 1.315 1.00 0.00 H new ATOM 835 N LYS A 58 -5.499 -0.661 8.085 1.00 0.00 N ATOM 836 CA LYS A 58 -4.548 -0.437 9.161 1.00 0.00 C ATOM 837 C LYS A 58 -3.210 0.010 8.568 1.00 0.00 C ATOM 838 O LYS A 58 -2.368 -0.820 8.230 1.00 0.00 O ATOM 839 CB LYS A 58 -4.443 -1.678 10.050 1.00 0.00 C ATOM 840 CG LYS A 58 -3.483 -1.436 11.217 1.00 0.00 C ATOM 841 CD LYS A 58 -4.206 -0.777 12.393 1.00 0.00 C ATOM 842 CE LYS A 58 -3.328 -0.777 13.646 1.00 0.00 C ATOM 843 NZ LYS A 58 -3.998 -1.501 14.749 1.00 0.00 N ATOM 0 H LYS A 58 -5.178 -1.300 7.358 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.892 0.366 9.813 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.429 -1.940 10.434 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.096 -2.525 9.459 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.048 -2.383 11.537 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.660 -0.801 10.890 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.474 0.247 12.132 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.136 -1.308 12.596 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.369 -1.246 13.425 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.119 0.248 13.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.388 -1.491 15.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.902 -1.037 14.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.175 -2.485 14.461 1.00 0.00 H new ATOM 857 N VAL A 59 -3.056 1.322 8.460 1.00 0.00 N ATOM 858 CA VAL A 59 -1.835 1.889 7.914 1.00 0.00 C ATOM 859 C VAL A 59 -0.795 2.020 9.029 1.00 0.00 C ATOM 860 O VAL A 59 -0.827 2.976 9.803 1.00 0.00 O ATOM 861 CB VAL A 59 -2.140 3.220 7.222 1.00 0.00 C ATOM 862 CG1 VAL A 59 -0.954 3.681 6.373 1.00 0.00 C ATOM 863 CG2 VAL A 59 -3.412 3.119 6.378 1.00 0.00 C ATOM 0 H VAL A 59 -3.756 2.008 8.741 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.415 1.231 7.153 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.309 3.969 7.995 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.197 4.629 5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.079 3.811 7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.739 2.932 5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.607 4.078 5.897 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.283 2.350 5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.254 2.857 7.019 1.00 0.00 H new ATOM 873 N MET A 60 0.101 1.046 9.076 1.00 0.00 N ATOM 874 CA MET A 60 1.148 1.040 10.083 1.00 0.00 C ATOM 875 C MET A 60 2.408 0.346 9.561 1.00 0.00 C ATOM 876 O MET A 60 2.366 -0.826 9.188 1.00 0.00 O ATOM 877 CB MET A 60 0.648 0.316 11.335 1.00 0.00 C ATOM 878 CG MET A 60 0.235 1.316 12.418 1.00 0.00 C ATOM 879 SD MET A 60 -0.058 0.461 13.957 1.00 0.00 S ATOM 880 CE MET A 60 1.618 0.028 14.395 1.00 0.00 C ATOM 0 H MET A 60 0.124 0.255 8.433 1.00 0.00 H new ATOM 0 HA MET A 60 1.399 2.073 10.325 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.200 -0.319 11.078 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.431 -0.338 11.718 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.016 2.064 12.551 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.666 1.847 12.110 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.749 0.126 15.473 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.817 -1.001 14.098 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.312 0.695 13.883 1.00 0.00 H new ATOM 890 N TYR A 61 3.498 1.098 9.550 1.00 0.00 N ATOM 891 CA TYR A 61 4.767 0.570 9.079 1.00 0.00 C ATOM 892 C TYR A 61 5.870 0.786 10.118 1.00 0.00 C ATOM 893 O TYR A 61 6.405 1.886 10.241 1.00 0.00 O ATOM 894 CB TYR A 61 5.111 1.362 7.816 1.00 0.00 C ATOM 895 CG TYR A 61 6.604 1.385 7.484 1.00 0.00 C ATOM 896 CD1 TYR A 61 7.363 0.243 7.639 1.00 0.00 C ATOM 897 CD2 TYR A 61 7.192 2.548 7.028 1.00 0.00 C ATOM 898 CE1 TYR A 61 8.769 0.264 7.326 1.00 0.00 C ATOM 899 CE2 TYR A 61 8.598 2.569 6.715 1.00 0.00 C ATOM 900 CZ TYR A 61 9.317 1.426 6.879 1.00 0.00 C ATOM 901 OH TYR A 61 10.644 1.446 6.584 1.00 0.00 O ATOM 0 H TYR A 61 3.529 2.069 9.860 1.00 0.00 H new ATOM 0 HA TYR A 61 4.691 -0.501 8.893 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.568 0.935 6.973 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.760 2.387 7.935 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.903 -0.667 7.995 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.598 3.442 6.906 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.374 -0.623 7.444 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.071 3.472 6.358 1.00 0.00 H new ATOM 0 HH TYR A 61 10.897 2.341 6.275 1.00 0.00 H new ATOM 911 N LYS A 62 6.176 -0.283 10.839 1.00 0.00 N ATOM 912 CA LYS A 62 7.205 -0.225 11.863 1.00 0.00 C ATOM 913 C LYS A 62 6.964 0.996 12.754 1.00 0.00 C ATOM 914 O LYS A 62 7.893 1.509 13.374 1.00 0.00 O ATOM 915 CB LYS A 62 8.596 -0.257 11.228 1.00 0.00 C ATOM 916 CG LYS A 62 9.118 -1.692 11.123 1.00 0.00 C ATOM 917 CD LYS A 62 10.629 -1.744 11.357 1.00 0.00 C ATOM 918 CE LYS A 62 11.393 -1.592 10.041 1.00 0.00 C ATOM 919 NZ LYS A 62 12.572 -0.715 10.224 1.00 0.00 N ATOM 0 H LYS A 62 5.729 -1.194 10.734 1.00 0.00 H new ATOM 0 HA LYS A 62 7.153 -1.104 12.505 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.557 0.193 10.236 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.285 0.342 11.823 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.611 -2.322 11.854 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.885 -2.097 10.138 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.922 -0.951 12.045 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.895 -2.690 11.829 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.713 -2.571 9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.736 -1.174 9.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.079 -0.623 9.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.260 0.224 10.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.206 -1.130 10.936 1.00 0.00 H new ATOM 933 N GLY A 63 5.711 1.425 12.788 1.00 0.00 N ATOM 934 CA GLY A 63 5.336 2.576 13.592 1.00 0.00 C ATOM 935 C GLY A 63 4.117 3.286 12.998 1.00 0.00 C ATOM 936 O GLY A 63 3.864 3.194 11.798 1.00 0.00 O ATOM 0 H GLY A 63 4.943 0.996 12.272 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.115 2.256 14.610 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.173 3.271 13.651 1.00 0.00 H new ATOM 940 N LEU A 64 3.395 3.978 13.866 1.00 0.00 N ATOM 941 CA LEU A 64 2.209 4.704 13.443 1.00 0.00 C ATOM 942 C LEU A 64 2.573 5.638 12.288 1.00 0.00 C ATOM 943 O LEU A 64 3.636 6.259 12.298 1.00 0.00 O ATOM 944 CB LEU A 64 1.565 5.418 14.633 1.00 0.00 C ATOM 945 CG LEU A 64 0.757 4.537 15.588 1.00 0.00 C ATOM 946 CD1 LEU A 64 -0.699 4.425 15.131 1.00 0.00 C ATOM 947 CD2 LEU A 64 1.412 3.164 15.753 1.00 0.00 C ATOM 0 H LEU A 64 3.608 4.052 14.861 1.00 0.00 H new ATOM 0 HA LEU A 64 1.453 4.014 13.068 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.351 5.912 15.204 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.910 6.200 14.250 1.00 0.00 H new ATOM 0 HG LEU A 64 0.751 5.012 16.569 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.251 3.794 15.827 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.150 5.417 15.105 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.735 3.984 14.135 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.818 2.557 16.437 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.468 2.669 14.784 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.417 3.287 16.157 1.00 0.00 H new ATOM 959 N VAL A 65 1.672 5.710 11.320 1.00 0.00 N ATOM 960 CA VAL A 65 1.885 6.559 10.160 1.00 0.00 C ATOM 961 C VAL A 65 0.903 7.732 10.204 1.00 0.00 C ATOM 962 O VAL A 65 -0.304 7.541 10.063 1.00 0.00 O ATOM 963 CB VAL A 65 1.770 5.731 8.878 1.00 0.00 C ATOM 964 CG1 VAL A 65 1.534 6.632 7.664 1.00 0.00 C ATOM 965 CG2 VAL A 65 3.009 4.855 8.679 1.00 0.00 C ATOM 0 H VAL A 65 0.792 5.194 11.315 1.00 0.00 H new ATOM 0 HA VAL A 65 2.891 6.977 10.172 1.00 0.00 H new ATOM 0 HB VAL A 65 0.907 5.073 8.979 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.456 6.019 6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.610 7.193 7.802 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.368 7.326 7.558 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.902 4.277 7.761 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.894 5.487 8.609 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.114 4.176 9.525 1.00 0.00 H new ATOM 975 N PRO A 66 1.473 8.950 10.406 1.00 0.00 N ATOM 976 CA PRO A 66 0.661 10.154 10.470 1.00 0.00 C ATOM 977 C PRO A 66 0.184 10.569 9.077 1.00 0.00 C ATOM 978 O PRO A 66 0.995 10.882 8.207 1.00 0.00 O ATOM 979 CB PRO A 66 1.553 11.195 11.127 1.00 0.00 C ATOM 980 CG PRO A 66 2.975 10.676 10.983 1.00 0.00 C ATOM 981 CD PRO A 66 2.898 9.214 10.577 1.00 0.00 C ATOM 0 HA PRO A 66 -0.255 10.014 11.044 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.441 12.166 10.645 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.290 11.328 12.176 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.518 11.252 10.234 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.518 10.783 11.922 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.448 9.030 9.654 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.331 8.568 11.340 1.00 0.00 H new ATOM 989 N GLU A 67 -1.130 10.557 8.909 1.00 0.00 N ATOM 990 CA GLU A 67 -1.725 10.928 7.636 1.00 0.00 C ATOM 991 C GLU A 67 -1.563 12.430 7.393 1.00 0.00 C ATOM 992 O GLU A 67 -1.867 12.923 6.307 1.00 0.00 O ATOM 993 CB GLU A 67 -3.198 10.519 7.579 1.00 0.00 C ATOM 994 CG GLU A 67 -3.348 8.998 7.654 1.00 0.00 C ATOM 995 CD GLU A 67 -4.665 8.545 7.020 1.00 0.00 C ATOM 996 OE1 GLU A 67 -5.688 9.205 7.304 1.00 0.00 O ATOM 997 OE2 GLU A 67 -4.618 7.550 6.265 1.00 0.00 O ATOM 0 H GLU A 67 -1.800 10.296 9.633 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.203 10.393 6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.740 10.983 8.403 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.646 10.887 6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.511 8.521 7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.312 8.676 8.695 1.00 0.00 H new ATOM 1004 N ASP A 68 -1.085 13.116 8.421 1.00 0.00 N ATOM 1005 CA ASP A 68 -0.880 14.552 8.332 1.00 0.00 C ATOM 1006 C ASP A 68 0.498 14.829 7.728 1.00 0.00 C ATOM 1007 O ASP A 68 0.854 15.981 7.488 1.00 0.00 O ATOM 1008 CB ASP A 68 -0.929 15.201 9.716 1.00 0.00 C ATOM 1009 CG ASP A 68 -1.804 16.453 9.813 1.00 0.00 C ATOM 1010 OD1 ASP A 68 -1.262 17.546 9.544 1.00 0.00 O ATOM 1011 OD2 ASP A 68 -2.995 16.287 10.153 1.00 0.00 O ATOM 0 H ASP A 68 -0.834 12.704 9.320 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.672 14.969 7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.293 14.465 10.433 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.086 15.462 10.015 1.00 0.00 H new ATOM 1016 N LYS A 69 1.237 13.752 7.501 1.00 0.00 N ATOM 1017 CA LYS A 69 2.568 13.865 6.929 1.00 0.00 C ATOM 1018 C LYS A 69 2.708 12.872 5.774 1.00 0.00 C ATOM 1019 O LYS A 69 2.161 11.772 5.826 1.00 0.00 O ATOM 1020 CB LYS A 69 3.633 13.699 8.015 1.00 0.00 C ATOM 1021 CG LYS A 69 3.543 14.824 9.048 1.00 0.00 C ATOM 1022 CD LYS A 69 4.908 15.482 9.263 1.00 0.00 C ATOM 1023 CE LYS A 69 5.821 14.587 10.104 1.00 0.00 C ATOM 1024 NZ LYS A 69 6.102 15.218 11.413 1.00 0.00 N ATOM 0 H LYS A 69 0.939 12.798 7.703 1.00 0.00 H new ATOM 0 HA LYS A 69 2.721 14.861 6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.506 12.736 8.509 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.624 13.696 7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.823 15.572 8.715 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.174 14.426 9.993 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.376 15.681 8.299 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.778 16.444 9.759 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.349 13.616 10.255 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.755 14.408 9.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.723 14.598 11.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.572 16.134 11.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.209 15.366 11.926 1.00 0.00 H new ATOM 1038 N THR A 70 3.445 13.297 4.757 1.00 0.00 N ATOM 1039 CA THR A 70 3.664 12.459 3.591 1.00 0.00 C ATOM 1040 C THR A 70 4.631 11.321 3.925 1.00 0.00 C ATOM 1041 O THR A 70 5.283 11.343 4.967 1.00 0.00 O ATOM 1042 CB THR A 70 4.151 13.354 2.450 1.00 0.00 C ATOM 1043 OG1 THR A 70 5.334 13.960 2.965 1.00 0.00 O ATOM 1044 CG2 THR A 70 3.211 14.534 2.189 1.00 0.00 C ATOM 0 H THR A 70 3.897 14.210 4.717 1.00 0.00 H new ATOM 0 HA THR A 70 2.740 11.976 3.273 1.00 0.00 H new ATOM 0 HB THR A 70 4.250 12.761 1.541 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.717 14.556 2.288 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.603 15.137 1.370 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.222 14.160 1.923 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.138 15.146 3.088 1.00 0.00 H new ATOM 1052 N LEU A 71 4.692 10.354 3.021 1.00 0.00 N ATOM 1053 CA LEU A 71 5.568 9.210 3.207 1.00 0.00 C ATOM 1054 C LEU A 71 6.996 9.701 3.449 1.00 0.00 C ATOM 1055 O LEU A 71 7.608 9.368 4.463 1.00 0.00 O ATOM 1056 CB LEU A 71 5.441 8.241 2.030 1.00 0.00 C ATOM 1057 CG LEU A 71 4.020 7.804 1.671 1.00 0.00 C ATOM 1058 CD1 LEU A 71 3.819 7.781 0.155 1.00 0.00 C ATOM 1059 CD2 LEU A 71 3.682 6.457 2.314 1.00 0.00 C ATOM 0 H LEU A 71 4.149 10.339 2.158 1.00 0.00 H new ATOM 0 HA LEU A 71 5.272 8.643 4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.889 8.706 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.028 7.350 2.254 1.00 0.00 H new ATOM 0 HG LEU A 71 3.325 8.539 2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.800 7.467 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.990 8.778 -0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.523 7.081 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.666 6.169 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.381 5.699 1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.758 6.542 3.398 1.00 0.00 H new ATOM 1071 N ARG A 72 7.487 10.485 2.500 1.00 0.00 N ATOM 1072 CA ARG A 72 8.832 11.025 2.597 1.00 0.00 C ATOM 1073 C ARG A 72 8.975 11.870 3.864 1.00 0.00 C ATOM 1074 O ARG A 72 10.089 12.161 4.299 1.00 0.00 O ATOM 1075 CB ARG A 72 9.170 11.885 1.377 1.00 0.00 C ATOM 1076 CG ARG A 72 10.653 12.261 1.364 1.00 0.00 C ATOM 1077 CD ARG A 72 10.845 13.722 0.954 1.00 0.00 C ATOM 1078 NE ARG A 72 11.291 14.520 2.117 1.00 0.00 N ATOM 1079 CZ ARG A 72 11.478 15.847 2.091 1.00 0.00 C ATOM 1080 NH1 ARG A 72 11.258 16.532 0.961 1.00 0.00 N ATOM 1081 NH2 ARG A 72 11.884 16.488 3.195 1.00 0.00 N ATOM 0 H ARG A 72 6.977 10.759 1.660 1.00 0.00 H new ATOM 0 HA ARG A 72 9.524 10.184 2.637 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.921 11.342 0.465 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.562 12.790 1.386 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.082 12.098 2.353 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.190 11.612 0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.581 13.790 0.153 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.910 14.124 0.563 1.00 0.00 H new ATOM 0 HE ARG A 72 11.467 14.030 2.994 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.948 16.044 0.121 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.400 17.542 0.941 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.051 15.966 4.055 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.026 17.498 3.175 1.00 0.00 H new ATOM 1095 N GLU A 73 7.832 12.242 4.421 1.00 0.00 N ATOM 1096 CA GLU A 73 7.815 13.048 5.629 1.00 0.00 C ATOM 1097 C GLU A 73 7.753 12.150 6.866 1.00 0.00 C ATOM 1098 O GLU A 73 8.358 12.457 7.892 1.00 0.00 O ATOM 1099 CB GLU A 73 6.649 14.039 5.612 1.00 0.00 C ATOM 1100 CG GLU A 73 7.055 15.353 4.941 1.00 0.00 C ATOM 1101 CD GLU A 73 5.998 16.435 5.171 1.00 0.00 C ATOM 1102 OE1 GLU A 73 5.291 16.329 6.196 1.00 0.00 O ATOM 1103 OE2 GLU A 73 5.922 17.344 4.316 1.00 0.00 O ATOM 0 H GLU A 73 6.910 12.000 4.057 1.00 0.00 H new ATOM 0 HA GLU A 73 8.739 13.625 5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.803 13.602 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.318 14.235 6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.014 15.687 5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.190 15.193 3.871 1.00 0.00 H new ATOM 1110 N ILE A 74 7.016 11.058 6.728 1.00 0.00 N ATOM 1111 CA ILE A 74 6.867 10.113 7.822 1.00 0.00 C ATOM 1112 C ILE A 74 8.067 9.164 7.838 1.00 0.00 C ATOM 1113 O ILE A 74 8.114 8.229 8.635 1.00 0.00 O ATOM 1114 CB ILE A 74 5.518 9.396 7.730 1.00 0.00 C ATOM 1115 CG1 ILE A 74 5.563 8.272 6.692 1.00 0.00 C ATOM 1116 CG2 ILE A 74 4.387 10.388 7.452 1.00 0.00 C ATOM 1117 CD1 ILE A 74 5.511 6.900 7.367 1.00 0.00 C ATOM 0 H ILE A 74 6.516 10.806 5.876 1.00 0.00 H new ATOM 0 HA ILE A 74 6.861 10.636 8.778 1.00 0.00 H new ATOM 0 HB ILE A 74 5.311 8.934 8.695 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.724 8.374 6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.474 8.356 6.100 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.440 9.852 7.391 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.339 11.120 8.258 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.575 10.899 6.508 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.544 6.119 6.607 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.364 6.791 8.037 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.587 6.811 7.939 1.00 0.00 H new ATOM 1129 N LYS A 75 9.009 9.438 6.947 1.00 0.00 N ATOM 1130 CA LYS A 75 10.207 8.621 6.849 1.00 0.00 C ATOM 1131 C LYS A 75 9.888 7.350 6.059 1.00 0.00 C ATOM 1132 O LYS A 75 9.697 6.284 6.642 1.00 0.00 O ATOM 1133 CB LYS A 75 10.787 8.352 8.238 1.00 0.00 C ATOM 1134 CG LYS A 75 10.809 9.630 9.080 1.00 0.00 C ATOM 1135 CD LYS A 75 10.122 9.409 10.429 1.00 0.00 C ATOM 1136 CE LYS A 75 10.482 10.521 11.416 1.00 0.00 C ATOM 1137 NZ LYS A 75 11.429 10.021 12.437 1.00 0.00 N ATOM 0 H LYS A 75 8.967 10.214 6.287 1.00 0.00 H new ATOM 0 HA LYS A 75 10.986 9.151 6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.193 7.590 8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.799 7.957 8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.840 9.947 9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.309 10.434 8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.041 9.377 10.290 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.419 8.444 10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.925 11.361 10.881 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.579 10.892 11.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.663 10.788 13.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.993 9.234 12.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.298 9.689 11.972 1.00 0.00 H new ATOM 1151 N VAL A 76 9.841 7.505 4.744 1.00 0.00 N ATOM 1152 CA VAL A 76 9.549 6.383 3.868 1.00 0.00 C ATOM 1153 C VAL A 76 10.548 6.371 2.710 1.00 0.00 C ATOM 1154 O VAL A 76 11.007 7.425 2.271 1.00 0.00 O ATOM 1155 CB VAL A 76 8.093 6.449 3.401 1.00 0.00 C ATOM 1156 CG1 VAL A 76 7.838 5.462 2.260 1.00 0.00 C ATOM 1157 CG2 VAL A 76 7.132 6.202 4.565 1.00 0.00 C ATOM 0 H VAL A 76 10.000 8.391 4.264 1.00 0.00 H new ATOM 0 HA VAL A 76 9.662 5.441 4.404 1.00 0.00 H new ATOM 0 HB VAL A 76 7.908 7.454 3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.796 5.529 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.486 5.704 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.050 4.449 2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.104 6.254 4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.319 5.215 4.988 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.287 6.961 5.332 1.00 0.00 H new ATOM 1167 N THR A 77 10.856 5.168 2.248 1.00 0.00 N ATOM 1168 CA THR A 77 11.793 5.006 1.149 1.00 0.00 C ATOM 1169 C THR A 77 11.402 3.804 0.287 1.00 0.00 C ATOM 1170 O THR A 77 10.284 3.301 0.389 1.00 0.00 O ATOM 1171 CB THR A 77 13.200 4.897 1.740 1.00 0.00 C ATOM 1172 OG1 THR A 77 13.264 3.565 2.242 1.00 0.00 O ATOM 1173 CG2 THR A 77 13.383 5.773 2.981 1.00 0.00 C ATOM 0 H THR A 77 10.473 4.296 2.615 1.00 0.00 H new ATOM 0 HA THR A 77 11.771 5.867 0.480 1.00 0.00 H new ATOM 0 HB THR A 77 13.934 5.180 0.985 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.145 3.408 2.642 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.398 5.659 3.361 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.209 6.817 2.719 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.672 5.469 3.749 1.00 0.00 H new ATOM 1181 N SER A 78 12.344 3.378 -0.541 1.00 0.00 N ATOM 1182 CA SER A 78 12.111 2.245 -1.420 1.00 0.00 C ATOM 1183 C SER A 78 12.338 0.937 -0.659 1.00 0.00 C ATOM 1184 O SER A 78 13.474 0.590 -0.339 1.00 0.00 O ATOM 1185 CB SER A 78 13.018 2.307 -2.650 1.00 0.00 C ATOM 1186 OG SER A 78 13.036 3.606 -3.235 1.00 0.00 O ATOM 0 H SER A 78 13.270 3.797 -0.622 1.00 0.00 H new ATOM 0 HA SER A 78 11.077 2.284 -1.762 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.032 2.022 -2.368 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.677 1.581 -3.389 1.00 0.00 H new ATOM 0 HG SER A 78 13.628 3.605 -4.016 1.00 0.00 H new ATOM 1192 N GLY A 79 11.239 0.248 -0.390 1.00 0.00 N ATOM 1193 CA GLY A 79 11.304 -1.014 0.327 1.00 0.00 C ATOM 1194 C GLY A 79 10.586 -0.916 1.675 1.00 0.00 C ATOM 1195 O GLY A 79 10.882 -1.674 2.597 1.00 0.00 O ATOM 0 H GLY A 79 10.298 0.540 -0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.850 -1.802 -0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.346 -1.293 0.485 1.00 0.00 H new ATOM 1199 N ALA A 80 9.654 0.024 1.745 1.00 0.00 N ATOM 1200 CA ALA A 80 8.891 0.231 2.965 1.00 0.00 C ATOM 1201 C ALA A 80 7.800 -0.837 3.066 1.00 0.00 C ATOM 1202 O ALA A 80 6.920 -0.914 2.209 1.00 0.00 O ATOM 1203 CB ALA A 80 8.321 1.650 2.975 1.00 0.00 C ATOM 0 H ALA A 80 9.410 0.650 0.978 1.00 0.00 H new ATOM 0 HA ALA A 80 9.532 0.131 3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.749 1.806 3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.138 2.370 2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.670 1.787 2.112 1.00 0.00 H new ATOM 1209 N LYS A 81 7.892 -1.634 4.120 1.00 0.00 N ATOM 1210 CA LYS A 81 6.924 -2.694 4.344 1.00 0.00 C ATOM 1211 C LYS A 81 5.596 -2.079 4.793 1.00 0.00 C ATOM 1212 O LYS A 81 5.582 -1.066 5.489 1.00 0.00 O ATOM 1213 CB LYS A 81 7.482 -3.732 5.319 1.00 0.00 C ATOM 1214 CG LYS A 81 6.739 -5.064 5.187 1.00 0.00 C ATOM 1215 CD LYS A 81 7.634 -6.130 4.553 1.00 0.00 C ATOM 1216 CE LYS A 81 8.169 -5.663 3.198 1.00 0.00 C ATOM 1217 NZ LYS A 81 9.520 -6.216 2.955 1.00 0.00 N ATOM 0 H LYS A 81 8.622 -1.567 4.829 1.00 0.00 H new ATOM 0 HA LYS A 81 6.729 -3.234 3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.544 -3.883 5.126 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.393 -3.362 6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.409 -5.399 6.170 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.844 -4.927 4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.467 -6.353 5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.070 -7.054 4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.492 -5.980 2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.205 -4.574 3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.228 -5.460 3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.717 -6.968 3.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.566 -6.609 1.993 1.00 0.00 H new ATOM 1231 N ILE A 82 4.514 -2.719 4.376 1.00 0.00 N ATOM 1232 CA ILE A 82 3.185 -2.248 4.727 1.00 0.00 C ATOM 1233 C ILE A 82 2.309 -3.443 5.110 1.00 0.00 C ATOM 1234 O ILE A 82 2.067 -4.327 4.290 1.00 0.00 O ATOM 1235 CB ILE A 82 2.602 -1.396 3.597 1.00 0.00 C ATOM 1236 CG1 ILE A 82 3.511 -0.206 3.284 1.00 0.00 C ATOM 1237 CG2 ILE A 82 1.173 -0.957 3.921 1.00 0.00 C ATOM 1238 CD1 ILE A 82 3.376 0.883 4.351 1.00 0.00 C ATOM 0 H ILE A 82 4.530 -3.560 3.798 1.00 0.00 H new ATOM 0 HA ILE A 82 3.231 -1.594 5.598 1.00 0.00 H new ATOM 0 HB ILE A 82 2.553 -2.009 2.697 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.547 -0.540 3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.256 0.204 2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.783 -0.353 3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.544 -1.837 4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.172 -0.368 4.838 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.033 1.717 4.104 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.344 1.232 4.386 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.655 0.477 5.323 1.00 0.00 H new ATOM 1250 N MET A 83 1.859 -3.430 6.356 1.00 0.00 N ATOM 1251 CA MET A 83 1.016 -4.502 6.858 1.00 0.00 C ATOM 1252 C MET A 83 -0.435 -4.037 6.999 1.00 0.00 C ATOM 1253 O MET A 83 -0.737 -3.171 7.819 1.00 0.00 O ATOM 1254 CB MET A 83 1.538 -4.968 8.218 1.00 0.00 C ATOM 1255 CG MET A 83 2.613 -6.044 8.054 1.00 0.00 C ATOM 1256 SD MET A 83 2.358 -7.348 9.245 1.00 0.00 S ATOM 1257 CE MET A 83 3.497 -8.570 8.616 1.00 0.00 C ATOM 0 H MET A 83 2.062 -2.694 7.033 1.00 0.00 H new ATOM 0 HA MET A 83 1.046 -5.327 6.146 1.00 0.00 H new ATOM 0 HB2 MET A 83 1.949 -4.119 8.764 1.00 0.00 H new ATOM 0 HB3 MET A 83 0.713 -5.361 8.813 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.580 -6.452 7.044 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.602 -5.605 8.189 1.00 0.00 H new ATOM 0 HE1 MET A 83 3.464 -9.457 9.248 1.00 0.00 H new ATOM 0 HE2 MET A 83 3.216 -8.839 7.598 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.507 -8.161 8.617 1.00 0.00 H new ATOM 1267 N VAL A 84 -1.296 -4.634 6.187 1.00 0.00 N ATOM 1268 CA VAL A 84 -2.708 -4.292 6.212 1.00 0.00 C ATOM 1269 C VAL A 84 -3.472 -5.355 7.005 1.00 0.00 C ATOM 1270 O VAL A 84 -3.014 -6.489 7.131 1.00 0.00 O ATOM 1271 CB VAL A 84 -3.230 -4.123 4.784 1.00 0.00 C ATOM 1272 CG1 VAL A 84 -4.505 -3.277 4.763 1.00 0.00 C ATOM 1273 CG2 VAL A 84 -2.157 -3.519 3.876 1.00 0.00 C ATOM 0 H VAL A 84 -1.043 -5.352 5.508 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.861 -3.338 6.716 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.477 -5.112 4.399 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.855 -3.172 3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.275 -3.764 5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.294 -2.291 5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.554 -3.409 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.864 -2.541 4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.287 -4.175 3.854 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.623 -4.949 7.521 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.454 -5.851 8.298 1.00 0.00 C ATOM 1285 C VAL A 85 -6.912 -5.700 7.860 1.00 0.00 C ATOM 1286 O VAL A 85 -7.306 -4.651 7.352 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.250 -5.594 9.793 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -5.906 -4.279 10.218 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -5.775 -6.764 10.627 1.00 0.00 C ATOM 0 H VAL A 85 -4.999 -4.007 7.416 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.166 -6.886 8.117 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.179 -5.507 9.975 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.746 -4.121 11.285 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.464 -3.454 9.658 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.976 -4.324 10.014 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.618 -6.556 11.685 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.840 -6.897 10.438 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.242 -7.674 10.353 1.00 0.00 H new