USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 804 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 49 THR OG1 : rot 180:sc= 0.0739 USER MOD Set 1.2: A 52 CYS SG : rot 99:sc= 0.0724 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 60:sc= -0.635 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -145:sc= -3.82! (180deg=-7.3!) USER MOD Single : A 26 LYS NZ :NH3+ -115:sc= -0.174 (180deg=-1.49!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.05 X(o=-1.1,f=-0.58!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 153:sc= -0.398 (180deg=-1.54!) USER MOD Single : A 45 ASN : amide:sc= -0.0896 X(o=-0.09,f=0) USER MOD Single : A 46 HIS : no HE2:sc= 0.262 K(o=0.26,f=-1.6) USER MOD Single : A 47 CYS SG : rot 130:sc= -2.27 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.054 X(o=-0.054,f=-0.33) USER MOD Single : A 61 GLN : amide:sc= -0.0054 X(o=-0.0054,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.65 K(o=-1.6,f=-0.092) USER MOD Single : A 67 GLN : amide:sc= -0.0978 K(o=-0.098,f=-0.84) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 2:sc= -0.357 USER MOD Single : A 75 SER OG : rot 46:sc= -0.223 USER MOD Single : A 78 ASN : amide:sc= -0.378 K(o=-0.38,f=-3.2!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.46 USER MOD Single : A 83 GLN : amide:sc= 0.39 K(o=0.39,f=-0.98) USER MOD Single : A 88 MET CE :methyl 165:sc= 0 (180deg=-0.28) USER MOD Single : A 89 SER OG : rot 180:sc= -0.107 USER MOD Single : A 90 LYS NZ :NH3+ -139:sc= -0.444 (180deg=-2.51!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=0.67) USER MOD Single : A 104 ASN : amide:sc= -0.394 K(o=-0.39,f=-1.3) USER MOD Single : A 109 TYR OH : rot 180:sc= -0.333 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 171:sc= 0.521 USER MOD Single : A 118 CYS SG : rot 25:sc= 0.251 USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 11 9.610 18.841 3.437 1.00 0.00 N ATOM 121 CA ARG A 11 10.430 18.369 2.328 1.00 0.00 C ATOM 122 C ARG A 11 9.558 17.898 1.168 1.00 0.00 C ATOM 123 O ARG A 11 9.831 18.206 0.007 1.00 0.00 O ATOM 124 CB ARG A 11 11.342 17.231 2.790 1.00 0.00 C ATOM 125 CG ARG A 11 12.613 17.708 3.474 1.00 0.00 C ATOM 126 CD ARG A 11 13.706 18.021 2.464 1.00 0.00 C ATOM 127 NE ARG A 11 14.708 18.934 3.007 1.00 0.00 N ATOM 128 CZ ARG A 11 14.460 20.204 3.305 1.00 0.00 C ATOM 129 NH1 ARG A 11 13.249 20.709 3.114 1.00 0.00 N ATOM 130 NH2 ARG A 11 15.424 20.972 3.796 1.00 0.00 N ATOM 0 HA ARG A 11 11.044 19.201 1.983 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.789 16.590 3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.611 16.620 1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.397 18.598 4.065 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.964 16.943 4.166 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.190 17.094 2.155 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.260 18.461 1.572 1.00 0.00 H new ATOM 0 HE ARG A 11 15.650 18.577 3.166 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.505 20.122 2.737 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.061 21.685 3.344 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.357 20.587 3.945 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.232 21.947 4.025 1.00 0.00 H new ATOM 144 N LEU A 12 8.509 17.150 1.490 1.00 0.00 N ATOM 145 CA LEU A 12 7.596 16.635 0.474 1.00 0.00 C ATOM 146 C LEU A 12 7.044 17.767 -0.386 1.00 0.00 C ATOM 147 O LEU A 12 7.037 18.933 0.010 1.00 0.00 O ATOM 148 CB LEU A 12 6.446 15.873 1.134 1.00 0.00 C ATOM 149 CG LEU A 12 6.736 14.422 1.521 1.00 0.00 C ATOM 150 CD1 LEU A 12 6.654 13.518 0.300 1.00 0.00 C ATOM 151 CD2 LEU A 12 8.103 14.309 2.179 1.00 0.00 C ATOM 0 H LEU A 12 8.269 16.886 2.446 1.00 0.00 H new ATOM 0 HA LEU A 12 8.153 15.954 -0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.146 16.414 2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.593 15.883 0.455 1.00 0.00 H new ATOM 0 HG LEU A 12 5.982 14.099 2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.863 12.489 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.654 13.576 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.386 13.840 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.293 13.270 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.871 14.650 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.127 14.926 3.077 1.00 0.00 H new ATOM 163 N PRO A 13 6.568 17.418 -1.590 1.00 0.00 N ATOM 164 CA PRO A 13 6.003 18.390 -2.530 1.00 0.00 C ATOM 165 C PRO A 13 4.665 18.946 -2.054 1.00 0.00 C ATOM 166 O PRO A 13 3.635 18.281 -2.154 1.00 0.00 O ATOM 167 CB PRO A 13 5.817 17.576 -3.813 1.00 0.00 C ATOM 168 CG PRO A 13 5.681 16.167 -3.351 1.00 0.00 C ATOM 169 CD PRO A 13 6.545 16.047 -2.126 1.00 0.00 C ATOM 0 HA PRO A 13 6.647 19.261 -2.651 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.933 17.900 -4.362 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.669 17.693 -4.483 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.642 15.931 -3.120 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.002 15.470 -4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.128 15.341 -1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.547 15.695 -2.373 1.00 0.00 H new ATOM 177 N GLU A 14 4.689 20.170 -1.535 1.00 0.00 N ATOM 178 CA GLU A 14 3.477 20.815 -1.044 1.00 0.00 C ATOM 179 C GLU A 14 2.395 20.833 -2.120 1.00 0.00 C ATOM 180 O GLU A 14 1.202 20.868 -1.818 1.00 0.00 O ATOM 181 CB GLU A 14 3.781 22.243 -0.586 1.00 0.00 C ATOM 182 CG GLU A 14 4.246 23.155 -1.708 1.00 0.00 C ATOM 183 CD GLU A 14 4.246 24.618 -1.309 1.00 0.00 C ATOM 184 OE1 GLU A 14 3.151 25.213 -1.238 1.00 0.00 O ATOM 185 OE2 GLU A 14 5.341 25.168 -1.068 1.00 0.00 O ATOM 0 H GLU A 14 5.534 20.734 -1.444 1.00 0.00 H new ATOM 0 HA GLU A 14 3.110 20.240 -0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.886 22.668 -0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.548 22.212 0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.252 22.866 -2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.598 23.019 -2.574 1.00 0.00 H new ATOM 192 N THR A 15 2.821 20.810 -3.379 1.00 0.00 N ATOM 193 CA THR A 15 1.892 20.826 -4.501 1.00 0.00 C ATOM 194 C THR A 15 1.242 19.461 -4.697 1.00 0.00 C ATOM 195 O THR A 15 0.529 19.237 -5.676 1.00 0.00 O ATOM 196 CB THR A 15 2.595 21.240 -5.808 1.00 0.00 C ATOM 197 OG1 THR A 15 3.711 20.378 -6.057 1.00 0.00 O ATOM 198 CG2 THR A 15 3.068 22.684 -5.734 1.00 0.00 C ATOM 0 H THR A 15 3.805 20.780 -3.647 1.00 0.00 H new ATOM 0 HA THR A 15 1.123 21.561 -4.263 1.00 0.00 H new ATOM 0 HB THR A 15 1.879 21.151 -6.625 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.152 20.646 -6.890 1.00 0.00 H new ATOM 0 HG21 THR A 15 3.561 22.954 -6.668 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.212 23.339 -5.573 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.770 22.795 -4.908 1.00 0.00 H new ATOM 206 N ILE A 16 1.493 18.552 -3.761 1.00 0.00 N ATOM 207 CA ILE A 16 0.930 17.210 -3.830 1.00 0.00 C ATOM 208 C ILE A 16 0.491 16.725 -2.452 1.00 0.00 C ATOM 209 O ILE A 16 1.001 17.184 -1.430 1.00 0.00 O ATOM 210 CB ILE A 16 1.940 16.206 -4.417 1.00 0.00 C ATOM 211 CG1 ILE A 16 2.626 16.800 -5.649 1.00 0.00 C ATOM 212 CG2 ILE A 16 1.245 14.899 -4.769 1.00 0.00 C ATOM 213 CD1 ILE A 16 3.753 15.945 -6.185 1.00 0.00 C ATOM 0 H ILE A 16 2.083 18.721 -2.946 1.00 0.00 H new ATOM 0 HA ILE A 16 0.061 17.266 -4.486 1.00 0.00 H new ATOM 0 HB ILE A 16 2.702 15.998 -3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.884 16.943 -6.435 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.017 17.786 -5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.972 14.200 -5.183 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.800 14.470 -3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.465 15.089 -5.506 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.193 16.428 -7.058 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.515 15.823 -5.415 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.364 14.967 -6.469 1.00 0.00 H new ATOM 225 N ASP A 17 -0.457 15.795 -2.433 1.00 0.00 N ATOM 226 CA ASP A 17 -0.963 15.245 -1.181 1.00 0.00 C ATOM 227 C ASP A 17 -0.871 13.722 -1.179 1.00 0.00 C ATOM 228 O ASP A 17 -1.651 13.042 -1.845 1.00 0.00 O ATOM 229 CB ASP A 17 -2.412 15.681 -0.957 1.00 0.00 C ATOM 230 CG ASP A 17 -2.925 15.300 0.418 1.00 0.00 C ATOM 231 OD1 ASP A 17 -2.454 15.892 1.412 1.00 0.00 O ATOM 232 OD2 ASP A 17 -3.797 14.409 0.500 1.00 0.00 O ATOM 0 H ASP A 17 -0.891 15.406 -3.270 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.346 15.629 -0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.487 16.761 -1.083 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.047 15.226 -1.717 1.00 0.00 H new ATOM 237 N LEU A 18 0.088 13.194 -0.427 1.00 0.00 N ATOM 238 CA LEU A 18 0.284 11.751 -0.339 1.00 0.00 C ATOM 239 C LEU A 18 -1.055 11.022 -0.293 1.00 0.00 C ATOM 240 O LEU A 18 -1.289 10.084 -1.055 1.00 0.00 O ATOM 241 CB LEU A 18 1.110 11.403 0.901 1.00 0.00 C ATOM 242 CG LEU A 18 2.624 11.336 0.702 1.00 0.00 C ATOM 243 CD1 LEU A 18 3.346 11.554 2.023 1.00 0.00 C ATOM 244 CD2 LEU A 18 3.023 10.002 0.088 1.00 0.00 C ATOM 0 H LEU A 18 0.742 13.743 0.131 1.00 0.00 H new ATOM 0 HA LEU A 18 0.823 11.427 -1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.898 12.142 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.771 10.439 1.280 1.00 0.00 H new ATOM 0 HG LEU A 18 2.916 12.131 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.423 11.503 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.085 12.534 2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.048 10.782 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.104 9.972 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.717 9.191 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.534 9.886 -0.879 1.00 0.00 H new ATOM 256 N GLY A 19 -1.932 11.461 0.605 1.00 0.00 N ATOM 257 CA GLY A 19 -3.238 10.840 0.731 1.00 0.00 C ATOM 258 C GLY A 19 -3.917 10.639 -0.609 1.00 0.00 C ATOM 259 O GLY A 19 -4.390 9.545 -0.915 1.00 0.00 O ATOM 0 H GLY A 19 -1.762 12.235 1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.132 9.876 1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.871 11.459 1.366 1.00 0.00 H new ATOM 263 N ALA A 20 -3.966 11.698 -1.410 1.00 0.00 N ATOM 264 CA ALA A 20 -4.592 11.634 -2.725 1.00 0.00 C ATOM 265 C ALA A 20 -3.851 10.664 -3.638 1.00 0.00 C ATOM 266 O ALA A 20 -4.463 9.963 -4.446 1.00 0.00 O ATOM 267 CB ALA A 20 -4.645 13.018 -3.353 1.00 0.00 C ATOM 0 H ALA A 20 -3.579 12.611 -1.171 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.610 11.267 -2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.115 12.954 -4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.225 13.685 -2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.633 13.408 -3.460 1.00 0.00 H new ATOM 273 N LEU A 21 -2.529 10.628 -3.507 1.00 0.00 N ATOM 274 CA LEU A 21 -1.703 9.743 -4.322 1.00 0.00 C ATOM 275 C LEU A 21 -2.016 8.280 -4.027 1.00 0.00 C ATOM 276 O LEU A 21 -2.285 7.496 -4.937 1.00 0.00 O ATOM 277 CB LEU A 21 -0.220 10.021 -4.068 1.00 0.00 C ATOM 278 CG LEU A 21 0.763 9.333 -5.016 1.00 0.00 C ATOM 279 CD1 LEU A 21 0.113 8.126 -5.675 1.00 0.00 C ATOM 280 CD2 LEU A 21 1.263 10.312 -6.068 1.00 0.00 C ATOM 0 H LEU A 21 -2.006 11.201 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.929 9.939 -5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.057 11.097 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.017 9.718 -3.048 1.00 0.00 H new ATOM 0 HG LEU A 21 1.618 8.987 -4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.827 7.649 -6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.195 7.415 -4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.760 8.448 -6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.961 9.805 -6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.419 10.688 -6.646 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.768 11.145 -5.579 1.00 0.00 H new ATOM 292 N TYR A 22 -1.981 7.920 -2.748 1.00 0.00 N ATOM 293 CA TYR A 22 -2.261 6.551 -2.333 1.00 0.00 C ATOM 294 C TYR A 22 -3.580 6.061 -2.922 1.00 0.00 C ATOM 295 O TYR A 22 -3.735 4.878 -3.231 1.00 0.00 O ATOM 296 CB TYR A 22 -2.306 6.458 -0.806 1.00 0.00 C ATOM 297 CG TYR A 22 -2.998 5.214 -0.295 1.00 0.00 C ATOM 298 CD1 TYR A 22 -2.324 4.001 -0.223 1.00 0.00 C ATOM 299 CD2 TYR A 22 -4.325 5.251 0.114 1.00 0.00 C ATOM 300 CE1 TYR A 22 -2.951 2.862 0.243 1.00 0.00 C ATOM 301 CE2 TYR A 22 -4.960 4.118 0.582 1.00 0.00 C ATOM 302 CZ TYR A 22 -4.269 2.925 0.644 1.00 0.00 C ATOM 303 OH TYR A 22 -4.899 1.793 1.109 1.00 0.00 O ATOM 0 H TYR A 22 -1.762 8.557 -1.982 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.459 5.914 -2.706 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.287 6.482 -0.419 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.818 7.336 -0.412 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.292 3.948 -0.537 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.869 6.182 0.065 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.412 1.927 0.293 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.992 4.165 0.898 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.426 1.456 1.898 1.00 0.00 H new ATOM 313 N LEU A 23 -4.528 6.978 -3.077 1.00 0.00 N ATOM 314 CA LEU A 23 -5.835 6.642 -3.631 1.00 0.00 C ATOM 315 C LEU A 23 -5.718 6.240 -5.098 1.00 0.00 C ATOM 316 O LEU A 23 -6.391 5.316 -5.554 1.00 0.00 O ATOM 317 CB LEU A 23 -6.791 7.828 -3.490 1.00 0.00 C ATOM 318 CG LEU A 23 -7.262 8.145 -2.070 1.00 0.00 C ATOM 319 CD1 LEU A 23 -7.855 9.544 -2.005 1.00 0.00 C ATOM 320 CD2 LEU A 23 -8.276 7.112 -1.602 1.00 0.00 C ATOM 0 H LEU A 23 -4.416 7.961 -2.827 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.232 5.795 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.302 8.714 -3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.668 7.637 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.400 8.106 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.185 9.752 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.100 10.273 -2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.706 9.610 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.600 7.353 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.137 7.119 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.818 6.123 -1.610 1.00 0.00 H new ATOM 332 N SER A 24 -4.858 6.940 -5.831 1.00 0.00 N ATOM 333 CA SER A 24 -4.654 6.658 -7.247 1.00 0.00 C ATOM 334 C SER A 24 -4.039 5.275 -7.442 1.00 0.00 C ATOM 335 O SER A 24 -4.303 4.601 -8.437 1.00 0.00 O ATOM 336 CB SER A 24 -3.754 7.722 -7.876 1.00 0.00 C ATOM 337 OG SER A 24 -4.489 8.893 -8.188 1.00 0.00 O ATOM 0 H SER A 24 -4.291 7.706 -5.468 1.00 0.00 H new ATOM 0 HA SER A 24 -5.626 6.677 -7.740 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.944 7.969 -7.190 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.295 7.325 -8.781 1.00 0.00 H new ATOM 0 HG SER A 24 -3.890 9.558 -8.587 1.00 0.00 H new ATOM 343 N MET A 25 -3.218 4.860 -6.483 1.00 0.00 N ATOM 344 CA MET A 25 -2.565 3.557 -6.548 1.00 0.00 C ATOM 345 C MET A 25 -3.543 2.441 -6.196 1.00 0.00 C ATOM 346 O MET A 25 -3.301 1.271 -6.494 1.00 0.00 O ATOM 347 CB MET A 25 -1.365 3.516 -5.600 1.00 0.00 C ATOM 348 CG MET A 25 -0.560 4.806 -5.583 1.00 0.00 C ATOM 349 SD MET A 25 0.851 4.729 -4.464 1.00 0.00 S ATOM 350 CE MET A 25 2.193 5.127 -5.582 1.00 0.00 C ATOM 0 H MET A 25 -2.989 5.406 -5.652 1.00 0.00 H new ATOM 0 HA MET A 25 -2.217 3.403 -7.570 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.717 3.303 -4.590 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.711 2.693 -5.890 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.208 5.023 -6.591 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.209 5.631 -5.287 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.082 4.563 -5.299 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.907 4.867 -6.601 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.408 6.194 -5.527 1.00 0.00 H new ATOM 360 N LYS A 26 -4.650 2.809 -5.559 1.00 0.00 N ATOM 361 CA LYS A 26 -5.666 1.840 -5.167 1.00 0.00 C ATOM 362 C LYS A 26 -6.534 1.449 -6.359 1.00 0.00 C ATOM 363 O LYS A 26 -7.204 0.416 -6.339 1.00 0.00 O ATOM 364 CB LYS A 26 -6.543 2.412 -4.051 1.00 0.00 C ATOM 365 CG LYS A 26 -5.834 2.510 -2.711 1.00 0.00 C ATOM 366 CD LYS A 26 -6.807 2.359 -1.553 1.00 0.00 C ATOM 367 CE LYS A 26 -7.615 3.629 -1.334 1.00 0.00 C ATOM 368 NZ LYS A 26 -8.188 3.692 0.038 1.00 0.00 N ATOM 0 H LYS A 26 -4.866 3.772 -5.303 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.158 0.948 -4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.888 3.404 -4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.429 1.786 -3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.068 1.738 -2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.325 3.471 -2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.482 1.526 -1.750 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.257 2.115 -0.644 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.979 4.498 -1.502 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.421 3.678 -2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.226 3.657 -0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.843 2.885 0.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.896 4.579 0.496 1.00 0.00 H new ATOM 382 N ASP A 27 -6.515 2.279 -7.396 1.00 0.00 N ATOM 383 CA ASP A 27 -7.299 2.018 -8.598 1.00 0.00 C ATOM 384 C ASP A 27 -6.870 0.709 -9.253 1.00 0.00 C ATOM 385 O ASP A 27 -5.731 0.268 -9.097 1.00 0.00 O ATOM 386 CB ASP A 27 -7.148 3.172 -9.590 1.00 0.00 C ATOM 387 CG ASP A 27 -8.302 3.246 -10.572 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.539 2.249 -11.285 1.00 0.00 O ATOM 389 OD2 ASP A 27 -8.968 4.301 -10.625 1.00 0.00 O ATOM 0 H ASP A 27 -5.966 3.138 -7.429 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.346 1.932 -8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.080 4.112 -9.042 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.214 3.055 -10.140 1.00 0.00 H new ATOM 394 N THR A 28 -7.791 0.090 -9.985 1.00 0.00 N ATOM 395 CA THR A 28 -7.510 -1.170 -10.661 1.00 0.00 C ATOM 396 C THR A 28 -6.837 -0.933 -12.008 1.00 0.00 C ATOM 397 O THR A 28 -6.017 -1.736 -12.452 1.00 0.00 O ATOM 398 CB THR A 28 -8.796 -1.990 -10.880 1.00 0.00 C ATOM 399 OG1 THR A 28 -8.472 -3.376 -11.038 1.00 0.00 O ATOM 400 CG2 THR A 28 -9.549 -1.497 -12.106 1.00 0.00 C ATOM 0 H THR A 28 -8.738 0.441 -10.125 1.00 0.00 H new ATOM 0 HA THR A 28 -6.836 -1.732 -10.014 1.00 0.00 H new ATOM 0 HB THR A 28 -9.435 -1.864 -10.006 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.295 -3.891 -11.175 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.453 -2.091 -12.241 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.819 -0.450 -11.970 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.915 -1.597 -12.987 1.00 0.00 H new ATOM 408 N GLU A 29 -7.187 0.176 -12.653 1.00 0.00 N ATOM 409 CA GLU A 29 -6.616 0.517 -13.950 1.00 0.00 C ATOM 410 C GLU A 29 -5.732 1.757 -13.845 1.00 0.00 C ATOM 411 O GLU A 29 -4.824 1.956 -14.653 1.00 0.00 O ATOM 412 CB GLU A 29 -7.726 0.755 -14.975 1.00 0.00 C ATOM 413 CG GLU A 29 -8.938 1.472 -14.404 1.00 0.00 C ATOM 414 CD GLU A 29 -9.712 2.240 -15.458 1.00 0.00 C ATOM 415 OE1 GLU A 29 -9.188 3.260 -15.953 1.00 0.00 O ATOM 416 OE2 GLU A 29 -10.841 1.820 -15.788 1.00 0.00 O ATOM 0 H GLU A 29 -7.863 0.853 -12.298 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.001 -0.321 -14.279 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.325 1.340 -15.803 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.042 -0.204 -15.385 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.598 0.743 -13.933 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.614 2.160 -13.623 1.00 0.00 H new ATOM 423 N LYS A 30 -6.004 2.588 -12.845 1.00 0.00 N ATOM 424 CA LYS A 30 -5.235 3.808 -12.632 1.00 0.00 C ATOM 425 C LYS A 30 -4.357 3.689 -11.390 1.00 0.00 C ATOM 426 O LYS A 30 -3.867 4.688 -10.867 1.00 0.00 O ATOM 427 CB LYS A 30 -6.173 5.009 -12.493 1.00 0.00 C ATOM 428 CG LYS A 30 -7.324 5.000 -13.485 1.00 0.00 C ATOM 429 CD LYS A 30 -6.954 5.711 -14.775 1.00 0.00 C ATOM 430 CE LYS A 30 -7.293 7.193 -14.712 1.00 0.00 C ATOM 431 NZ LYS A 30 -6.726 7.942 -15.867 1.00 0.00 N ATOM 0 H LYS A 30 -6.752 2.438 -12.168 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.590 3.956 -13.498 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.577 5.029 -11.481 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.598 5.926 -12.625 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.608 3.971 -13.704 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.194 5.483 -13.039 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.888 5.588 -14.966 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.483 5.251 -15.610 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.376 7.317 -14.695 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.909 7.614 -13.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.979 8.947 -15.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.691 7.845 -15.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.112 7.558 -16.753 1.00 0.00 H new ATOM 445 N GLY A 31 -4.163 2.458 -10.925 1.00 0.00 N ATOM 446 CA GLY A 31 -3.343 2.232 -9.749 1.00 0.00 C ATOM 447 C GLY A 31 -2.194 1.280 -10.018 1.00 0.00 C ATOM 448 O GLY A 31 -2.015 0.816 -11.144 1.00 0.00 O ATOM 0 H GLY A 31 -4.558 1.615 -11.341 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.947 3.185 -9.397 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.964 1.830 -8.948 1.00 0.00 H new ATOM 452 N ILE A 32 -1.414 0.990 -8.982 1.00 0.00 N ATOM 453 CA ILE A 32 -0.276 0.088 -9.113 1.00 0.00 C ATOM 454 C ILE A 32 -0.731 -1.366 -9.172 1.00 0.00 C ATOM 455 O ILE A 32 -1.495 -1.825 -8.322 1.00 0.00 O ATOM 456 CB ILE A 32 0.713 0.257 -7.945 1.00 0.00 C ATOM 457 CG1 ILE A 32 1.235 1.694 -7.894 1.00 0.00 C ATOM 458 CG2 ILE A 32 1.866 -0.727 -8.080 1.00 0.00 C ATOM 459 CD1 ILE A 32 1.976 2.024 -6.617 1.00 0.00 C ATOM 0 H ILE A 32 -1.549 1.366 -8.044 1.00 0.00 H new ATOM 0 HA ILE A 32 0.227 0.347 -10.045 1.00 0.00 H new ATOM 0 HB ILE A 32 0.190 0.047 -7.012 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.898 1.861 -8.743 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.396 2.381 -8.005 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.556 -0.595 -7.247 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.478 -1.746 -8.072 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.391 -0.546 -9.018 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.317 3.059 -6.651 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.310 1.889 -5.765 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.836 1.362 -6.514 1.00 0.00 H new ATOM 471 N LYS A 33 -0.256 -2.088 -10.181 1.00 0.00 N ATOM 472 CA LYS A 33 -0.611 -3.492 -10.352 1.00 0.00 C ATOM 473 C LYS A 33 0.222 -4.379 -9.431 1.00 0.00 C ATOM 474 O LYS A 33 1.441 -4.236 -9.353 1.00 0.00 O ATOM 475 CB LYS A 33 -0.408 -3.918 -11.808 1.00 0.00 C ATOM 476 CG LYS A 33 1.043 -3.874 -12.257 1.00 0.00 C ATOM 477 CD LYS A 33 1.727 -5.217 -12.064 1.00 0.00 C ATOM 478 CE LYS A 33 1.593 -6.094 -13.300 1.00 0.00 C ATOM 479 NZ LYS A 33 2.554 -5.699 -14.367 1.00 0.00 N ATOM 0 H LYS A 33 0.376 -1.724 -10.894 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.662 -3.610 -10.089 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.790 -4.931 -11.938 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.999 -3.269 -12.454 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.091 -3.588 -13.308 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.576 -3.109 -11.693 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.782 -5.060 -11.841 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.292 -5.728 -11.205 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.762 -7.135 -13.026 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.575 -6.027 -13.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.431 -6.320 -15.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.377 -4.713 -14.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.526 -5.788 -14.009 1.00 0.00 H new ATOM 493 N GLU A 34 -0.446 -5.296 -8.737 1.00 0.00 N ATOM 494 CA GLU A 34 0.234 -6.206 -7.823 1.00 0.00 C ATOM 495 C GLU A 34 0.651 -7.487 -8.540 1.00 0.00 C ATOM 496 O GLU A 34 0.310 -7.699 -9.704 1.00 0.00 O ATOM 497 CB GLU A 34 -0.673 -6.544 -6.637 1.00 0.00 C ATOM 498 CG GLU A 34 -1.194 -5.321 -5.901 1.00 0.00 C ATOM 499 CD GLU A 34 -2.555 -5.554 -5.274 1.00 0.00 C ATOM 500 OE1 GLU A 34 -3.330 -6.364 -5.824 1.00 0.00 O ATOM 501 OE2 GLU A 34 -2.844 -4.927 -4.233 1.00 0.00 O ATOM 0 H GLU A 34 -1.456 -5.428 -8.791 1.00 0.00 H new ATOM 0 HA GLU A 34 1.131 -5.708 -7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.519 -7.131 -6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.122 -7.172 -5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.484 -5.039 -5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.256 -4.483 -6.595 1.00 0.00 H new ATOM 508 N LEU A 35 1.391 -8.337 -7.837 1.00 0.00 N ATOM 509 CA LEU A 35 1.856 -9.597 -8.405 1.00 0.00 C ATOM 510 C LEU A 35 1.940 -10.680 -7.334 1.00 0.00 C ATOM 511 O LEU A 35 1.718 -10.416 -6.153 1.00 0.00 O ATOM 512 CB LEU A 35 3.224 -9.408 -9.063 1.00 0.00 C ATOM 513 CG LEU A 35 3.462 -8.059 -9.742 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.936 -7.687 -9.689 1.00 0.00 C ATOM 515 CD2 LEU A 35 2.970 -8.092 -11.182 1.00 0.00 C ATOM 0 H LEU A 35 1.682 -8.176 -6.873 1.00 0.00 H new ATOM 0 HA LEU A 35 1.136 -9.914 -9.160 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.993 -9.550 -8.304 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.360 -10.195 -9.805 1.00 0.00 H new ATOM 0 HG LEU A 35 2.897 -7.298 -9.203 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.086 -6.724 -10.177 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.257 -7.621 -8.650 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.522 -8.449 -10.202 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.148 -7.123 -11.649 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.507 -8.864 -11.732 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.902 -8.312 -11.197 1.00 0.00 H new ATOM 527 N ASN A 36 2.263 -11.898 -7.755 1.00 0.00 N ATOM 528 CA ASN A 36 2.378 -13.021 -6.831 1.00 0.00 C ATOM 529 C ASN A 36 3.727 -13.716 -6.985 1.00 0.00 C ATOM 530 O ASN A 36 3.868 -14.654 -7.770 1.00 0.00 O ATOM 531 CB ASN A 36 1.245 -14.022 -7.069 1.00 0.00 C ATOM 532 CG ASN A 36 1.104 -14.398 -8.531 1.00 0.00 C ATOM 533 OD1 ASN A 36 1.815 -15.270 -9.030 1.00 0.00 O ATOM 534 ND2 ASN A 36 0.183 -13.740 -9.225 1.00 0.00 N ATOM 0 H ASN A 36 2.450 -12.133 -8.730 1.00 0.00 H new ATOM 0 HA ASN A 36 2.303 -12.633 -5.815 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.429 -14.921 -6.481 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.307 -13.596 -6.714 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.042 -13.950 -10.213 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.384 -13.025 -8.770 1.00 0.00 H new ATOM 541 N LEU A 37 4.716 -13.251 -6.229 1.00 0.00 N ATOM 542 CA LEU A 37 6.055 -13.828 -6.280 1.00 0.00 C ATOM 543 C LEU A 37 6.324 -14.688 -5.050 1.00 0.00 C ATOM 544 O LEU A 37 5.761 -14.453 -3.982 1.00 0.00 O ATOM 545 CB LEU A 37 7.105 -12.721 -6.383 1.00 0.00 C ATOM 546 CG LEU A 37 6.826 -11.623 -7.410 1.00 0.00 C ATOM 547 CD1 LEU A 37 7.436 -10.304 -6.961 1.00 0.00 C ATOM 548 CD2 LEU A 37 7.361 -12.023 -8.777 1.00 0.00 C ATOM 0 H LEU A 37 4.616 -12.476 -5.573 1.00 0.00 H new ATOM 0 HA LEU A 37 6.118 -14.462 -7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.210 -12.256 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.064 -13.179 -6.623 1.00 0.00 H new ATOM 0 HG LEU A 37 5.747 -11.492 -7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.227 -9.535 -7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.004 -10.011 -6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.514 -10.420 -6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.154 -11.230 -9.495 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.437 -12.183 -8.714 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.876 -12.943 -9.103 1.00 0.00 H new ATOM 560 N GLU A 38 7.190 -15.684 -5.209 1.00 0.00 N ATOM 561 CA GLU A 38 7.535 -16.578 -4.109 1.00 0.00 C ATOM 562 C GLU A 38 9.010 -16.444 -3.741 1.00 0.00 C ATOM 563 O GLU A 38 9.881 -17.000 -4.409 1.00 0.00 O ATOM 564 CB GLU A 38 7.221 -18.028 -4.484 1.00 0.00 C ATOM 565 CG GLU A 38 7.417 -19.008 -3.340 1.00 0.00 C ATOM 566 CD GLU A 38 7.518 -20.445 -3.814 1.00 0.00 C ATOM 567 OE1 GLU A 38 8.631 -20.869 -4.192 1.00 0.00 O ATOM 568 OE2 GLU A 38 6.485 -21.146 -3.808 1.00 0.00 O ATOM 0 H GLU A 38 7.665 -15.892 -6.087 1.00 0.00 H new ATOM 0 HA GLU A 38 6.936 -16.296 -3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.190 -18.089 -4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.857 -18.325 -5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.322 -18.745 -2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.585 -18.917 -2.642 1.00 0.00 H new ATOM 575 N LYS A 39 9.282 -15.702 -2.673 1.00 0.00 N ATOM 576 CA LYS A 39 10.650 -15.494 -2.214 1.00 0.00 C ATOM 577 C LYS A 39 10.790 -15.860 -0.740 1.00 0.00 C ATOM 578 O LYS A 39 9.829 -15.774 0.025 1.00 0.00 O ATOM 579 CB LYS A 39 11.066 -14.037 -2.430 1.00 0.00 C ATOM 580 CG LYS A 39 12.526 -13.768 -2.107 1.00 0.00 C ATOM 581 CD LYS A 39 13.446 -14.323 -3.181 1.00 0.00 C ATOM 582 CE LYS A 39 13.639 -13.332 -4.318 1.00 0.00 C ATOM 583 NZ LYS A 39 14.412 -13.923 -5.445 1.00 0.00 N ATOM 0 H LYS A 39 8.573 -15.234 -2.109 1.00 0.00 H new ATOM 0 HA LYS A 39 11.305 -16.143 -2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.876 -13.763 -3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.441 -13.394 -1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.686 -12.694 -2.009 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.776 -14.217 -1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.413 -14.567 -2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.030 -15.251 -3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.666 -13.001 -4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.158 -12.449 -3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.522 -13.216 -6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.351 -14.216 -5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.904 -14.751 -5.818 1.00 0.00 H new ATOM 597 N ASP A 40 11.992 -16.268 -0.348 1.00 0.00 N ATOM 598 CA ASP A 40 12.259 -16.645 1.035 1.00 0.00 C ATOM 599 C ASP A 40 11.237 -17.665 1.527 1.00 0.00 C ATOM 600 O ASP A 40 10.855 -17.664 2.697 1.00 0.00 O ATOM 601 CB ASP A 40 12.238 -15.409 1.936 1.00 0.00 C ATOM 602 CG ASP A 40 13.439 -14.511 1.716 1.00 0.00 C ATOM 603 OD1 ASP A 40 14.526 -15.040 1.400 1.00 0.00 O ATOM 604 OD2 ASP A 40 13.293 -13.279 1.858 1.00 0.00 O ATOM 0 H ASP A 40 12.797 -16.346 -0.969 1.00 0.00 H new ATOM 0 HA ASP A 40 13.249 -17.099 1.077 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.326 -14.843 1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.210 -15.724 2.979 1.00 0.00 H new ATOM 609 N LYS A 41 10.797 -18.536 0.625 1.00 0.00 N ATOM 610 CA LYS A 41 9.820 -19.563 0.965 1.00 0.00 C ATOM 611 C LYS A 41 8.500 -18.935 1.401 1.00 0.00 C ATOM 612 O LYS A 41 7.731 -19.538 2.151 1.00 0.00 O ATOM 613 CB LYS A 41 10.361 -20.463 2.078 1.00 0.00 C ATOM 614 CG LYS A 41 11.657 -21.168 1.715 1.00 0.00 C ATOM 615 CD LYS A 41 11.419 -22.295 0.724 1.00 0.00 C ATOM 616 CE LYS A 41 12.710 -22.722 0.044 1.00 0.00 C ATOM 617 NZ LYS A 41 13.526 -23.614 0.914 1.00 0.00 N ATOM 0 H LYS A 41 11.102 -18.551 -0.348 1.00 0.00 H new ATOM 0 HA LYS A 41 9.639 -20.166 0.075 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.522 -19.862 2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.608 -21.211 2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.357 -20.449 1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.120 -21.567 2.617 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.979 -23.148 1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.699 -21.973 -0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.477 -23.238 -0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.292 -21.838 -0.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.398 -23.883 0.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.770 -23.113 1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.980 -24.469 1.143 1.00 0.00 H new ATOM 631 N LYS A 42 8.242 -17.721 0.927 1.00 0.00 N ATOM 632 CA LYS A 42 7.014 -17.011 1.265 1.00 0.00 C ATOM 633 C LYS A 42 6.444 -16.298 0.044 1.00 0.00 C ATOM 634 O LYS A 42 7.173 -15.638 -0.697 1.00 0.00 O ATOM 635 CB LYS A 42 7.277 -16.000 2.384 1.00 0.00 C ATOM 636 CG LYS A 42 7.889 -16.616 3.629 1.00 0.00 C ATOM 637 CD LYS A 42 8.091 -15.581 4.723 1.00 0.00 C ATOM 638 CE LYS A 42 9.439 -14.889 4.594 1.00 0.00 C ATOM 639 NZ LYS A 42 9.409 -13.798 3.581 1.00 0.00 N ATOM 0 H LYS A 42 8.868 -17.207 0.307 1.00 0.00 H new ATOM 0 HA LYS A 42 6.283 -17.743 1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.942 -15.221 2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.338 -15.516 2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.243 -17.413 3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.847 -17.072 3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.294 -14.839 4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.020 -16.062 5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.730 -14.479 5.561 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.198 -15.621 4.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.125 -13.083 3.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.614 -14.192 2.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.467 -13.357 3.574 1.00 0.00 H new ATOM 653 N ILE A 43 5.138 -16.433 -0.159 1.00 0.00 N ATOM 654 CA ILE A 43 4.471 -15.799 -1.289 1.00 0.00 C ATOM 655 C ILE A 43 3.707 -14.555 -0.849 1.00 0.00 C ATOM 656 O ILE A 43 2.804 -14.630 -0.016 1.00 0.00 O ATOM 657 CB ILE A 43 3.496 -16.768 -1.984 1.00 0.00 C ATOM 658 CG1 ILE A 43 4.256 -17.959 -2.569 1.00 0.00 C ATOM 659 CG2 ILE A 43 2.715 -16.044 -3.071 1.00 0.00 C ATOM 660 CD1 ILE A 43 3.354 -19.025 -3.150 1.00 0.00 C ATOM 0 H ILE A 43 4.521 -16.976 0.445 1.00 0.00 H new ATOM 0 HA ILE A 43 5.250 -15.513 -1.995 1.00 0.00 H new ATOM 0 HB ILE A 43 2.789 -17.142 -1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.931 -17.602 -3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.875 -18.403 -1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.030 -16.742 -3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.147 -15.226 -2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.408 -15.645 -3.812 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.961 -19.839 -3.547 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.696 -19.410 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.754 -18.596 -3.952 1.00 0.00 H new ATOM 672 N PHE A 44 4.075 -13.410 -1.415 1.00 0.00 N ATOM 673 CA PHE A 44 3.424 -12.148 -1.082 1.00 0.00 C ATOM 674 C PHE A 44 2.302 -11.838 -2.069 1.00 0.00 C ATOM 675 O PHE A 44 2.542 -11.303 -3.150 1.00 0.00 O ATOM 676 CB PHE A 44 4.444 -11.009 -1.079 1.00 0.00 C ATOM 677 CG PHE A 44 5.655 -11.290 -0.235 1.00 0.00 C ATOM 678 CD1 PHE A 44 5.519 -11.654 1.095 1.00 0.00 C ATOM 679 CD2 PHE A 44 6.928 -11.191 -0.772 1.00 0.00 C ATOM 680 CE1 PHE A 44 6.631 -11.914 1.874 1.00 0.00 C ATOM 681 CE2 PHE A 44 8.043 -11.451 0.002 1.00 0.00 C ATOM 682 CZ PHE A 44 7.894 -11.811 1.327 1.00 0.00 C ATOM 0 H PHE A 44 4.821 -13.330 -2.106 1.00 0.00 H new ATOM 0 HA PHE A 44 2.992 -12.243 -0.086 1.00 0.00 H new ATOM 0 HB2 PHE A 44 4.762 -10.814 -2.103 1.00 0.00 H new ATOM 0 HB3 PHE A 44 3.962 -10.101 -0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.533 -11.736 1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.051 -10.908 -1.807 1.00 0.00 H new ATOM 0 HE1 PHE A 44 6.512 -12.197 2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 44 9.030 -11.373 -0.429 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.764 -12.012 1.934 1.00 0.00 H new ATOM 692 N ASN A 45 1.075 -12.180 -1.687 1.00 0.00 N ATOM 693 CA ASN A 45 -0.085 -11.940 -2.538 1.00 0.00 C ATOM 694 C ASN A 45 -0.488 -10.469 -2.505 1.00 0.00 C ATOM 695 O ASN A 45 -0.444 -9.825 -1.456 1.00 0.00 O ATOM 696 CB ASN A 45 -1.260 -12.812 -2.092 1.00 0.00 C ATOM 697 CG ASN A 45 -1.184 -14.217 -2.658 1.00 0.00 C ATOM 698 OD1 ASN A 45 -1.823 -14.529 -3.663 1.00 0.00 O ATOM 699 ND2 ASN A 45 -0.400 -15.073 -2.013 1.00 0.00 N ATOM 0 H ASN A 45 0.859 -12.624 -0.794 1.00 0.00 H new ATOM 0 HA ASN A 45 0.185 -12.202 -3.561 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.279 -12.862 -1.003 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.194 -12.347 -2.406 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.309 -16.033 -2.347 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.111 -14.771 -1.184 1.00 0.00 H new ATOM 706 N HIS A 46 -0.881 -9.942 -3.661 1.00 0.00 N ATOM 707 CA HIS A 46 -1.294 -8.547 -3.764 1.00 0.00 C ATOM 708 C HIS A 46 -0.144 -7.612 -3.403 1.00 0.00 C ATOM 709 O HIS A 46 -0.353 -6.561 -2.796 1.00 0.00 O ATOM 710 CB HIS A 46 -2.491 -8.278 -2.852 1.00 0.00 C ATOM 711 CG HIS A 46 -3.775 -8.857 -3.362 1.00 0.00 C ATOM 712 ND1 HIS A 46 -4.150 -8.805 -4.688 1.00 0.00 N ATOM 713 CD2 HIS A 46 -4.772 -9.505 -2.715 1.00 0.00 C ATOM 714 CE1 HIS A 46 -5.323 -9.394 -4.834 1.00 0.00 C ATOM 715 NE2 HIS A 46 -5.723 -9.828 -3.652 1.00 0.00 N ATOM 0 H HIS A 46 -0.922 -10.460 -4.539 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.584 -8.355 -4.797 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.284 -8.689 -1.864 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.610 -7.201 -2.731 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -3.607 -8.378 -5.438 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.812 -9.727 -1.659 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.864 -9.503 -5.763 1.00 0.00 H new ATOM 724 N CYS A 47 1.069 -8.002 -3.780 1.00 0.00 N ATOM 725 CA CYS A 47 2.253 -7.199 -3.494 1.00 0.00 C ATOM 726 C CYS A 47 2.907 -6.717 -4.785 1.00 0.00 C ATOM 727 O CYS A 47 2.856 -7.396 -5.811 1.00 0.00 O ATOM 728 CB CYS A 47 3.256 -8.007 -2.670 1.00 0.00 C ATOM 729 SG CYS A 47 4.354 -6.998 -1.647 1.00 0.00 S ATOM 0 H CYS A 47 1.258 -8.868 -4.284 1.00 0.00 H new ATOM 0 HA CYS A 47 1.941 -6.327 -2.919 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.709 -8.697 -2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.861 -8.612 -3.345 1.00 0.00 H new ATOM 0 HG CYS A 47 4.351 -7.452 -0.429 1.00 0.00 H new ATOM 735 N PHE A 48 3.522 -5.540 -4.727 1.00 0.00 N ATOM 736 CA PHE A 48 4.185 -4.966 -5.892 1.00 0.00 C ATOM 737 C PHE A 48 5.642 -4.638 -5.582 1.00 0.00 C ATOM 738 O PHE A 48 5.983 -4.272 -4.457 1.00 0.00 O ATOM 739 CB PHE A 48 3.453 -3.703 -6.351 1.00 0.00 C ATOM 740 CG PHE A 48 2.966 -2.847 -5.216 1.00 0.00 C ATOM 741 CD1 PHE A 48 1.746 -3.102 -4.612 1.00 0.00 C ATOM 742 CD2 PHE A 48 3.730 -1.787 -4.754 1.00 0.00 C ATOM 743 CE1 PHE A 48 1.295 -2.316 -3.568 1.00 0.00 C ATOM 744 CE2 PHE A 48 3.285 -0.998 -3.710 1.00 0.00 C ATOM 745 CZ PHE A 48 2.066 -1.262 -3.117 1.00 0.00 C ATOM 0 H PHE A 48 3.575 -4.965 -3.886 1.00 0.00 H new ATOM 0 HA PHE A 48 4.160 -5.704 -6.694 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.121 -3.114 -6.980 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.603 -3.990 -6.970 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.140 -3.925 -4.961 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.684 -1.575 -5.215 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.342 -2.526 -3.106 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.890 -0.176 -3.358 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.716 -0.646 -2.302 1.00 0.00 H new ATOM 755 N THR A 49 6.500 -4.773 -6.589 1.00 0.00 N ATOM 756 CA THR A 49 7.921 -4.494 -6.425 1.00 0.00 C ATOM 757 C THR A 49 8.167 -3.006 -6.202 1.00 0.00 C ATOM 758 O THR A 49 7.280 -2.181 -6.419 1.00 0.00 O ATOM 759 CB THR A 49 8.730 -4.958 -7.651 1.00 0.00 C ATOM 760 OG1 THR A 49 8.227 -4.331 -8.836 1.00 0.00 O ATOM 761 CG2 THR A 49 8.662 -6.470 -7.803 1.00 0.00 C ATOM 0 H THR A 49 6.235 -5.074 -7.527 1.00 0.00 H new ATOM 0 HA THR A 49 8.253 -5.050 -5.548 1.00 0.00 H new ATOM 0 HB THR A 49 9.771 -4.670 -7.502 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.748 -4.630 -9.611 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.241 -6.774 -8.675 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.073 -6.944 -6.912 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.624 -6.776 -7.931 1.00 0.00 H new ATOM 769 N GLY A 50 9.377 -2.669 -5.767 1.00 0.00 N ATOM 770 CA GLY A 50 9.718 -1.280 -5.523 1.00 0.00 C ATOM 771 C GLY A 50 9.644 -0.435 -6.779 1.00 0.00 C ATOM 772 O GLY A 50 8.884 0.530 -6.843 1.00 0.00 O ATOM 0 H GLY A 50 10.128 -3.334 -5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.042 -0.870 -4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.725 -1.224 -5.110 1.00 0.00 H new ATOM 776 N ASN A 51 10.439 -0.798 -7.781 1.00 0.00 N ATOM 777 CA ASN A 51 10.462 -0.065 -9.042 1.00 0.00 C ATOM 778 C ASN A 51 9.047 0.274 -9.501 1.00 0.00 C ATOM 779 O ASN A 51 8.696 1.445 -9.650 1.00 0.00 O ATOM 780 CB ASN A 51 11.177 -0.883 -10.119 1.00 0.00 C ATOM 781 CG ASN A 51 11.829 -0.008 -11.172 1.00 0.00 C ATOM 782 OD1 ASN A 51 11.148 0.690 -11.923 1.00 0.00 O ATOM 783 ND2 ASN A 51 13.155 -0.044 -11.232 1.00 0.00 N ATOM 0 H ASN A 51 11.075 -1.594 -7.744 1.00 0.00 H new ATOM 0 HA ASN A 51 11.006 0.866 -8.882 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.936 -1.510 -9.651 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.462 -1.552 -10.598 1.00 0.00 H new ATOM 0 HD21 ASN A 51 13.650 0.522 -11.921 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.679 -0.638 -10.589 1.00 0.00 H new ATOM 790 N CYS A 52 8.240 -0.758 -9.721 1.00 0.00 N ATOM 791 CA CYS A 52 6.863 -0.570 -10.163 1.00 0.00 C ATOM 792 C CYS A 52 6.244 0.660 -9.506 1.00 0.00 C ATOM 793 O CYS A 52 5.540 1.435 -10.154 1.00 0.00 O ATOM 794 CB CYS A 52 6.028 -1.810 -9.840 1.00 0.00 C ATOM 795 SG CYS A 52 6.139 -3.119 -11.083 1.00 0.00 S ATOM 0 H CYS A 52 8.515 -1.733 -9.601 1.00 0.00 H new ATOM 0 HA CYS A 52 6.872 -0.418 -11.242 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.348 -2.210 -8.878 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.985 -1.514 -9.732 1.00 0.00 H new ATOM 0 HG CYS A 52 6.982 -4.025 -10.685 1.00 0.00 H new ATOM 801 N VAL A 53 6.509 0.831 -8.215 1.00 0.00 N ATOM 802 CA VAL A 53 5.978 1.966 -7.470 1.00 0.00 C ATOM 803 C VAL A 53 6.525 3.283 -8.009 1.00 0.00 C ATOM 804 O VAL A 53 5.765 4.190 -8.349 1.00 0.00 O ATOM 805 CB VAL A 53 6.314 1.859 -5.970 1.00 0.00 C ATOM 806 CG1 VAL A 53 5.704 3.022 -5.202 1.00 0.00 C ATOM 807 CG2 VAL A 53 5.834 0.529 -5.410 1.00 0.00 C ATOM 0 H VAL A 53 7.088 0.198 -7.663 1.00 0.00 H new ATOM 0 HA VAL A 53 4.895 1.948 -7.595 1.00 0.00 H new ATOM 0 HB VAL A 53 7.397 1.906 -5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.952 2.930 -4.145 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.102 3.961 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.621 3.010 -5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.080 0.471 -4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.754 0.449 -5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.323 -0.287 -5.941 1.00 0.00 H new ATOM 817 N ILE A 54 7.848 3.380 -8.087 1.00 0.00 N ATOM 818 CA ILE A 54 8.497 4.586 -8.587 1.00 0.00 C ATOM 819 C ILE A 54 8.087 4.874 -10.027 1.00 0.00 C ATOM 820 O ILE A 54 7.700 5.994 -10.361 1.00 0.00 O ATOM 821 CB ILE A 54 10.031 4.471 -8.515 1.00 0.00 C ATOM 822 CG1 ILE A 54 10.468 4.061 -7.108 1.00 0.00 C ATOM 823 CG2 ILE A 54 10.680 5.787 -8.915 1.00 0.00 C ATOM 824 CD1 ILE A 54 10.682 5.233 -6.176 1.00 0.00 C ATOM 0 H ILE A 54 8.491 2.638 -7.810 1.00 0.00 H new ATOM 0 HA ILE A 54 8.172 5.407 -7.948 1.00 0.00 H new ATOM 0 HB ILE A 54 10.356 3.701 -9.215 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.714 3.400 -6.680 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.393 3.488 -7.176 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.764 5.690 -8.859 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.391 6.040 -9.935 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.351 6.575 -8.238 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.990 4.867 -5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 54 11.457 5.883 -6.581 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.753 5.794 -6.078 1.00 0.00 H new ATOM 836 N ASP A 55 8.172 3.855 -10.875 1.00 0.00 N ATOM 837 CA ASP A 55 7.806 3.997 -12.280 1.00 0.00 C ATOM 838 C ASP A 55 6.341 4.396 -12.423 1.00 0.00 C ATOM 839 O ASP A 55 5.969 5.107 -13.356 1.00 0.00 O ATOM 840 CB ASP A 55 8.068 2.691 -13.032 1.00 0.00 C ATOM 841 CG ASP A 55 8.255 2.907 -14.520 1.00 0.00 C ATOM 842 OD1 ASP A 55 7.486 3.697 -15.107 1.00 0.00 O ATOM 843 OD2 ASP A 55 9.172 2.288 -15.098 1.00 0.00 O ATOM 0 H ASP A 55 8.491 2.922 -10.614 1.00 0.00 H new ATOM 0 HA ASP A 55 8.422 4.786 -12.712 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.957 2.212 -12.623 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.234 2.008 -12.869 1.00 0.00 H new ATOM 848 N TRP A 56 5.514 3.933 -11.492 1.00 0.00 N ATOM 849 CA TRP A 56 4.089 4.241 -11.515 1.00 0.00 C ATOM 850 C TRP A 56 3.852 5.739 -11.351 1.00 0.00 C ATOM 851 O TRP A 56 2.923 6.298 -11.935 1.00 0.00 O ATOM 852 CB TRP A 56 3.362 3.474 -10.410 1.00 0.00 C ATOM 853 CG TRP A 56 1.886 3.733 -10.377 1.00 0.00 C ATOM 854 CD1 TRP A 56 0.900 2.916 -10.849 1.00 0.00 C ATOM 855 CD2 TRP A 56 1.232 4.891 -9.846 1.00 0.00 C ATOM 856 NE1 TRP A 56 -0.329 3.495 -10.643 1.00 0.00 N ATOM 857 CE2 TRP A 56 -0.153 4.706 -10.028 1.00 0.00 C ATOM 858 CE3 TRP A 56 1.680 6.063 -9.231 1.00 0.00 C ATOM 859 CZ2 TRP A 56 -1.090 5.652 -9.620 1.00 0.00 C ATOM 860 CZ3 TRP A 56 0.749 7.001 -8.827 1.00 0.00 C ATOM 861 CH2 TRP A 56 -0.623 6.791 -9.021 1.00 0.00 C ATOM 0 H TRP A 56 5.806 3.343 -10.712 1.00 0.00 H new ATOM 0 HA TRP A 56 3.693 3.933 -12.483 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.533 2.406 -10.546 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.793 3.745 -9.446 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.062 1.956 -11.316 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -1.227 3.089 -10.906 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.735 6.233 -9.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.148 5.493 -9.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.085 7.912 -8.353 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.325 7.542 -8.692 1.00 0.00 H new ATOM 872 N LEU A 57 4.698 6.382 -10.554 1.00 0.00 N ATOM 873 CA LEU A 57 4.581 7.817 -10.313 1.00 0.00 C ATOM 874 C LEU A 57 5.044 8.612 -11.529 1.00 0.00 C ATOM 875 O LEU A 57 4.456 9.637 -11.875 1.00 0.00 O ATOM 876 CB LEU A 57 5.401 8.216 -9.085 1.00 0.00 C ATOM 877 CG LEU A 57 4.997 7.558 -7.766 1.00 0.00 C ATOM 878 CD1 LEU A 57 6.176 7.519 -6.806 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.821 8.294 -7.140 1.00 0.00 C ATOM 0 H LEU A 57 5.472 5.934 -10.064 1.00 0.00 H new ATOM 0 HA LEU A 57 3.531 8.046 -10.131 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.447 7.981 -9.280 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.334 9.297 -8.964 1.00 0.00 H new ATOM 0 HG LEU A 57 4.689 6.533 -7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.870 7.047 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.989 6.947 -7.252 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.515 8.535 -6.605 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.547 7.811 -6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.101 9.330 -6.947 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.971 8.269 -7.822 1.00 0.00 H new ATOM 891 N VAL A 58 6.102 8.132 -12.176 1.00 0.00 N ATOM 892 CA VAL A 58 6.642 8.797 -13.356 1.00 0.00 C ATOM 893 C VAL A 58 5.740 8.587 -14.567 1.00 0.00 C ATOM 894 O VAL A 58 5.546 9.496 -15.374 1.00 0.00 O ATOM 895 CB VAL A 58 8.056 8.285 -13.690 1.00 0.00 C ATOM 896 CG1 VAL A 58 8.676 9.116 -14.803 1.00 0.00 C ATOM 897 CG2 VAL A 58 8.935 8.302 -12.448 1.00 0.00 C ATOM 0 H VAL A 58 6.602 7.286 -11.903 1.00 0.00 H new ATOM 0 HA VAL A 58 6.693 9.861 -13.124 1.00 0.00 H new ATOM 0 HB VAL A 58 7.978 7.255 -14.039 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.675 8.740 -15.025 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.055 9.048 -15.697 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.743 10.157 -14.486 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.930 7.937 -12.702 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.008 9.321 -12.068 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.497 7.660 -11.684 1.00 0.00 H new ATOM 907 N SER A 59 5.189 7.384 -14.687 1.00 0.00 N ATOM 908 CA SER A 59 4.308 7.053 -15.801 1.00 0.00 C ATOM 909 C SER A 59 2.963 7.759 -15.658 1.00 0.00 C ATOM 910 O SER A 59 2.280 8.022 -16.647 1.00 0.00 O ATOM 911 CB SER A 59 4.097 5.540 -15.880 1.00 0.00 C ATOM 912 OG SER A 59 3.404 5.183 -17.064 1.00 0.00 O ATOM 0 H SER A 59 5.337 6.621 -14.026 1.00 0.00 H new ATOM 0 HA SER A 59 4.782 7.395 -16.721 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.062 5.033 -15.853 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.535 5.202 -15.010 1.00 0.00 H new ATOM 0 HG SER A 59 3.283 4.211 -17.092 1.00 0.00 H new ATOM 918 N ASN A 60 2.590 8.064 -14.420 1.00 0.00 N ATOM 919 CA ASN A 60 1.327 8.739 -14.146 1.00 0.00 C ATOM 920 C ASN A 60 1.481 10.252 -14.269 1.00 0.00 C ATOM 921 O ASN A 60 0.555 11.006 -13.970 1.00 0.00 O ATOM 922 CB ASN A 60 0.825 8.378 -12.746 1.00 0.00 C ATOM 923 CG ASN A 60 -0.039 7.132 -12.746 1.00 0.00 C ATOM 924 OD1 ASN A 60 -1.228 7.187 -12.432 1.00 0.00 O ATOM 925 ND2 ASN A 60 0.557 5.999 -13.098 1.00 0.00 N ATOM 0 H ASN A 60 3.145 7.854 -13.590 1.00 0.00 H new ATOM 0 HA ASN A 60 0.597 8.405 -14.884 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.678 8.225 -12.085 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.254 9.213 -12.341 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.027 5.128 -13.116 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.545 6.000 -13.351 1.00 0.00 H new ATOM 932 N GLN A 61 2.656 10.688 -14.711 1.00 0.00 N ATOM 933 CA GLN A 61 2.931 12.110 -14.873 1.00 0.00 C ATOM 934 C GLN A 61 2.964 12.816 -13.521 1.00 0.00 C ATOM 935 O GLN A 61 2.691 14.013 -13.428 1.00 0.00 O ATOM 936 CB GLN A 61 1.876 12.756 -15.773 1.00 0.00 C ATOM 937 CG GLN A 61 1.668 12.023 -17.089 1.00 0.00 C ATOM 938 CD GLN A 61 0.372 12.410 -17.773 1.00 0.00 C ATOM 939 OE1 GLN A 61 0.379 13.035 -18.834 1.00 0.00 O ATOM 940 NE2 GLN A 61 -0.751 12.039 -17.169 1.00 0.00 N ATOM 0 H GLN A 61 3.433 10.077 -14.963 1.00 0.00 H new ATOM 0 HA GLN A 61 3.910 12.214 -15.341 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.928 12.798 -15.236 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.169 13.785 -15.982 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.504 12.236 -17.755 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.672 10.948 -16.907 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.711 11.522 -16.291 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.654 12.271 -17.584 1.00 0.00 H new ATOM 949 N SER A 62 3.300 12.067 -12.476 1.00 0.00 N ATOM 950 CA SER A 62 3.365 12.620 -11.129 1.00 0.00 C ATOM 951 C SER A 62 4.751 13.189 -10.841 1.00 0.00 C ATOM 952 O SER A 62 4.888 14.204 -10.158 1.00 0.00 O ATOM 953 CB SER A 62 3.019 11.545 -10.096 1.00 0.00 C ATOM 954 OG SER A 62 1.836 10.853 -10.457 1.00 0.00 O ATOM 0 H SER A 62 3.531 11.075 -12.536 1.00 0.00 H new ATOM 0 HA SER A 62 2.637 13.429 -11.060 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.845 10.839 -10.010 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.890 12.005 -9.116 1.00 0.00 H new ATOM 0 HG SER A 62 1.637 10.171 -9.782 1.00 0.00 H new ATOM 960 N VAL A 63 5.777 12.528 -11.368 1.00 0.00 N ATOM 961 CA VAL A 63 7.153 12.968 -11.170 1.00 0.00 C ATOM 962 C VAL A 63 7.861 13.173 -12.504 1.00 0.00 C ATOM 963 O VAL A 63 7.297 12.910 -13.566 1.00 0.00 O ATOM 964 CB VAL A 63 7.950 11.954 -10.329 1.00 0.00 C ATOM 965 CG1 VAL A 63 7.561 12.054 -8.862 1.00 0.00 C ATOM 966 CG2 VAL A 63 7.734 10.542 -10.851 1.00 0.00 C ATOM 0 H VAL A 63 5.681 11.686 -11.935 1.00 0.00 H new ATOM 0 HA VAL A 63 7.109 13.917 -10.636 1.00 0.00 H new ATOM 0 HB VAL A 63 9.010 12.190 -10.416 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.135 11.330 -8.283 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.772 13.059 -8.497 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.497 11.845 -8.753 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.305 9.839 -10.245 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.675 10.292 -10.796 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.068 10.482 -11.887 1.00 0.00 H new ATOM 976 N ARG A 64 9.102 13.646 -12.442 1.00 0.00 N ATOM 977 CA ARG A 64 9.888 13.888 -13.646 1.00 0.00 C ATOM 978 C ARG A 64 10.749 12.674 -13.986 1.00 0.00 C ATOM 979 O ARG A 64 11.061 12.430 -15.151 1.00 0.00 O ATOM 980 CB ARG A 64 10.776 15.120 -13.462 1.00 0.00 C ATOM 981 CG ARG A 64 10.008 16.369 -13.062 1.00 0.00 C ATOM 982 CD ARG A 64 10.701 17.630 -13.555 1.00 0.00 C ATOM 983 NE ARG A 64 9.928 18.832 -13.255 1.00 0.00 N ATOM 984 CZ ARG A 64 10.368 20.065 -13.483 1.00 0.00 C ATOM 985 NH1 ARG A 64 11.569 20.257 -14.013 1.00 0.00 N ATOM 986 NH2 ARG A 64 9.606 21.109 -13.183 1.00 0.00 N ATOM 0 H ARG A 64 9.584 13.869 -11.571 1.00 0.00 H new ATOM 0 HA ARG A 64 9.198 14.066 -14.471 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.527 14.906 -12.701 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.311 15.314 -14.392 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.999 16.324 -13.471 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.911 16.406 -11.977 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.685 17.707 -13.093 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.859 17.560 -14.631 1.00 0.00 H new ATOM 0 HE ARG A 64 8.999 18.719 -12.848 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.157 19.457 -14.247 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.904 21.205 -14.187 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.681 20.966 -12.777 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.945 22.055 -13.358 1.00 0.00 H new ATOM 1000 N ASN A 65 11.128 11.918 -12.961 1.00 0.00 N ATOM 1001 CA ASN A 65 11.953 10.731 -13.152 1.00 0.00 C ATOM 1002 C ASN A 65 11.951 9.860 -11.899 1.00 0.00 C ATOM 1003 O ASN A 65 11.358 10.220 -10.882 1.00 0.00 O ATOM 1004 CB ASN A 65 13.387 11.132 -13.505 1.00 0.00 C ATOM 1005 CG ASN A 65 13.844 12.367 -12.753 1.00 0.00 C ATOM 1006 OD1 ASN A 65 13.879 13.466 -13.307 1.00 0.00 O ATOM 1007 ND2 ASN A 65 14.196 12.192 -11.485 1.00 0.00 N ATOM 0 H ASN A 65 10.877 12.106 -11.990 1.00 0.00 H new ATOM 0 HA ASN A 65 11.531 10.154 -13.975 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.059 10.304 -13.280 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.456 11.316 -14.577 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.511 12.987 -10.929 1.00 0.00 H new ATOM 0 HD22 ASN A 65 14.151 11.263 -11.067 1.00 0.00 H new ATOM 1014 N ARG A 66 12.618 8.713 -11.981 1.00 0.00 N ATOM 1015 CA ARG A 66 12.692 7.791 -10.854 1.00 0.00 C ATOM 1016 C ARG A 66 13.043 8.531 -9.567 1.00 0.00 C ATOM 1017 O ARG A 66 12.264 8.541 -8.614 1.00 0.00 O ATOM 1018 CB ARG A 66 13.731 6.701 -11.127 1.00 0.00 C ATOM 1019 CG ARG A 66 13.155 5.467 -11.802 1.00 0.00 C ATOM 1020 CD ARG A 66 13.134 5.618 -13.315 1.00 0.00 C ATOM 1021 NE ARG A 66 11.864 6.159 -13.793 1.00 0.00 N ATOM 1022 CZ ARG A 66 11.600 6.391 -15.074 1.00 0.00 C ATOM 1023 NH1 ARG A 66 12.512 6.130 -16.000 1.00 0.00 N ATOM 1024 NH2 ARG A 66 10.421 6.884 -15.431 1.00 0.00 N ATOM 0 H ARG A 66 13.114 8.400 -12.815 1.00 0.00 H new ATOM 0 HA ARG A 66 11.713 7.329 -10.731 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.521 7.113 -11.755 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.193 6.407 -10.185 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.747 4.593 -11.531 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.142 5.291 -11.439 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.947 6.274 -13.625 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.312 4.648 -13.779 1.00 0.00 H new ATOM 0 HE ARG A 66 11.141 6.370 -13.106 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.419 5.750 -15.730 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.307 6.309 -16.983 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.716 7.085 -14.722 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.219 7.062 -16.415 1.00 0.00 H new ATOM 1038 N GLN A 67 14.219 9.150 -9.548 1.00 0.00 N ATOM 1039 CA GLN A 67 14.673 9.892 -8.378 1.00 0.00 C ATOM 1040 C GLN A 67 13.532 10.702 -7.771 1.00 0.00 C ATOM 1041 O GLN A 67 13.298 10.655 -6.564 1.00 0.00 O ATOM 1042 CB GLN A 67 15.830 10.819 -8.752 1.00 0.00 C ATOM 1043 CG GLN A 67 17.196 10.162 -8.641 1.00 0.00 C ATOM 1044 CD GLN A 67 17.804 10.310 -7.260 1.00 0.00 C ATOM 1045 OE1 GLN A 67 17.681 11.357 -6.624 1.00 0.00 O ATOM 1046 NE2 GLN A 67 18.466 9.259 -6.788 1.00 0.00 N ATOM 0 H GLN A 67 14.875 9.152 -10.329 1.00 0.00 H new ATOM 0 HA GLN A 67 15.019 9.173 -7.635 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.687 11.171 -9.774 1.00 0.00 H new ATOM 0 HB3 GLN A 67 15.805 11.697 -8.106 1.00 0.00 H new ATOM 0 HG2 GLN A 67 17.106 9.103 -8.883 1.00 0.00 H new ATOM 0 HG3 GLN A 67 17.867 10.602 -9.379 1.00 0.00 H new ATOM 0 HE21 GLN A 67 18.543 8.411 -7.349 1.00 0.00 H new ATOM 0 HE22 GLN A 67 18.897 9.300 -5.864 1.00 0.00 H new ATOM 1055 N GLU A 68 12.825 11.445 -8.617 1.00 0.00 N ATOM 1056 CA GLU A 68 11.710 12.267 -8.163 1.00 0.00 C ATOM 1057 C GLU A 68 10.669 11.419 -7.439 1.00 0.00 C ATOM 1058 O GLU A 68 10.048 11.867 -6.475 1.00 0.00 O ATOM 1059 CB GLU A 68 11.062 12.987 -9.348 1.00 0.00 C ATOM 1060 CG GLU A 68 11.843 14.201 -9.823 1.00 0.00 C ATOM 1061 CD GLU A 68 12.298 15.086 -8.679 1.00 0.00 C ATOM 1062 OE1 GLU A 68 11.478 15.359 -7.778 1.00 0.00 O ATOM 1063 OE2 GLU A 68 13.474 15.506 -8.685 1.00 0.00 O ATOM 0 H GLU A 68 13.005 11.494 -9.620 1.00 0.00 H new ATOM 0 HA GLU A 68 12.099 13.008 -7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.958 12.286 -10.176 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.056 13.300 -9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.713 13.870 -10.389 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.223 14.784 -10.504 1.00 0.00 H new ATOM 1070 N GLY A 69 10.482 10.190 -7.911 1.00 0.00 N ATOM 1071 CA GLY A 69 9.516 9.298 -7.298 1.00 0.00 C ATOM 1072 C GLY A 69 10.041 8.658 -6.028 1.00 0.00 C ATOM 1073 O GLY A 69 9.294 8.007 -5.296 1.00 0.00 O ATOM 0 H GLY A 69 10.983 9.796 -8.708 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.606 9.854 -7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.245 8.518 -8.009 1.00 0.00 H new ATOM 1077 N LEU A 70 11.331 8.839 -5.766 1.00 0.00 N ATOM 1078 CA LEU A 70 11.957 8.273 -4.577 1.00 0.00 C ATOM 1079 C LEU A 70 11.347 8.860 -3.308 1.00 0.00 C ATOM 1080 O LEU A 70 10.959 8.128 -2.398 1.00 0.00 O ATOM 1081 CB LEU A 70 13.465 8.531 -4.598 1.00 0.00 C ATOM 1082 CG LEU A 70 14.339 7.454 -3.954 1.00 0.00 C ATOM 1083 CD1 LEU A 70 13.697 6.938 -2.676 1.00 0.00 C ATOM 1084 CD2 LEU A 70 14.583 6.312 -4.930 1.00 0.00 C ATOM 0 H LEU A 70 11.964 9.374 -6.361 1.00 0.00 H new ATOM 0 HA LEU A 70 11.778 7.198 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.778 8.653 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.659 9.478 -4.093 1.00 0.00 H new ATOM 0 HG LEU A 70 15.301 7.899 -3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.334 6.172 -2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.575 7.761 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.721 6.510 -2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.207 5.555 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.629 5.869 -5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.088 6.693 -5.818 1.00 0.00 H new ATOM 1096 N MET A 71 11.264 10.185 -3.256 1.00 0.00 N ATOM 1097 CA MET A 71 10.697 10.870 -2.100 1.00 0.00 C ATOM 1098 C MET A 71 9.256 10.431 -1.860 1.00 0.00 C ATOM 1099 O MET A 71 8.917 9.946 -0.780 1.00 0.00 O ATOM 1100 CB MET A 71 10.754 12.386 -2.300 1.00 0.00 C ATOM 1101 CG MET A 71 12.025 12.861 -2.985 1.00 0.00 C ATOM 1102 SD MET A 71 12.400 14.589 -2.632 1.00 0.00 S ATOM 1103 CE MET A 71 14.099 14.688 -3.192 1.00 0.00 C ATOM 0 H MET A 71 11.582 10.806 -4.000 1.00 0.00 H new ATOM 0 HA MET A 71 11.290 10.604 -1.225 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.894 12.699 -2.891 1.00 0.00 H new ATOM 0 HB3 MET A 71 10.669 12.876 -1.330 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.860 12.239 -2.664 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.924 12.728 -4.062 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.474 15.700 -3.039 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.710 13.985 -2.626 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.148 14.439 -4.252 1.00 0.00 H new ATOM 1113 N ILE A 72 8.413 10.605 -2.872 1.00 0.00 N ATOM 1114 CA ILE A 72 7.009 10.225 -2.771 1.00 0.00 C ATOM 1115 C ILE A 72 6.863 8.770 -2.340 1.00 0.00 C ATOM 1116 O ILE A 72 6.088 8.453 -1.439 1.00 0.00 O ATOM 1117 CB ILE A 72 6.272 10.431 -4.107 1.00 0.00 C ATOM 1118 CG1 ILE A 72 6.357 11.895 -4.542 1.00 0.00 C ATOM 1119 CG2 ILE A 72 4.821 9.992 -3.985 1.00 0.00 C ATOM 1120 CD1 ILE A 72 5.620 12.842 -3.620 1.00 0.00 C ATOM 0 H ILE A 72 8.678 11.007 -3.771 1.00 0.00 H new ATOM 0 HA ILE A 72 6.561 10.871 -2.016 1.00 0.00 H new ATOM 0 HB ILE A 72 6.754 9.818 -4.868 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.405 12.191 -4.592 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.951 11.991 -5.549 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.314 10.144 -4.938 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.782 8.936 -3.717 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.326 10.581 -3.213 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.723 13.862 -3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.564 12.572 -3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.041 12.775 -2.617 1.00 0.00 H new ATOM 1132 N ALA A 73 7.615 7.888 -2.991 1.00 0.00 N ATOM 1133 CA ALA A 73 7.573 6.466 -2.673 1.00 0.00 C ATOM 1134 C ALA A 73 7.978 6.215 -1.225 1.00 0.00 C ATOM 1135 O ALA A 73 7.302 5.488 -0.498 1.00 0.00 O ATOM 1136 CB ALA A 73 8.475 5.687 -3.619 1.00 0.00 C ATOM 0 H ALA A 73 8.260 8.133 -3.742 1.00 0.00 H new ATOM 0 HA ALA A 73 6.547 6.120 -2.800 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.434 4.627 -3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.138 5.832 -4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.500 6.043 -3.520 1.00 0.00 H new ATOM 1142 N SER A 74 9.088 6.820 -0.812 1.00 0.00 N ATOM 1143 CA SER A 74 9.586 6.658 0.549 1.00 0.00 C ATOM 1144 C SER A 74 8.558 7.145 1.565 1.00 0.00 C ATOM 1145 O SER A 74 8.164 6.407 2.468 1.00 0.00 O ATOM 1146 CB SER A 74 10.899 7.422 0.728 1.00 0.00 C ATOM 1147 OG SER A 74 10.817 8.717 0.159 1.00 0.00 O ATOM 0 H SER A 74 9.659 7.427 -1.401 1.00 0.00 H new ATOM 0 HA SER A 74 9.765 5.597 0.720 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.135 7.502 1.789 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.713 6.867 0.261 1.00 0.00 H new ATOM 0 HG SER A 74 9.918 8.858 -0.206 1.00 0.00 H new ATOM 1153 N SER A 75 8.128 8.393 1.411 1.00 0.00 N ATOM 1154 CA SER A 75 7.149 8.982 2.317 1.00 0.00 C ATOM 1155 C SER A 75 5.980 8.029 2.547 1.00 0.00 C ATOM 1156 O SER A 75 5.569 7.795 3.685 1.00 0.00 O ATOM 1157 CB SER A 75 6.636 10.309 1.755 1.00 0.00 C ATOM 1158 OG SER A 75 6.624 10.292 0.338 1.00 0.00 O ATOM 0 H SER A 75 8.442 9.016 0.667 1.00 0.00 H new ATOM 0 HA SER A 75 7.640 9.166 3.273 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.630 10.501 2.128 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.267 11.125 2.107 1.00 0.00 H new ATOM 0 HG SER A 75 6.232 9.450 0.024 1.00 0.00 H new ATOM 1164 N LEU A 76 5.448 7.481 1.460 1.00 0.00 N ATOM 1165 CA LEU A 76 4.326 6.552 1.542 1.00 0.00 C ATOM 1166 C LEU A 76 4.586 5.476 2.591 1.00 0.00 C ATOM 1167 O LEU A 76 3.661 5.004 3.254 1.00 0.00 O ATOM 1168 CB LEU A 76 4.076 5.903 0.180 1.00 0.00 C ATOM 1169 CG LEU A 76 3.311 6.751 -0.837 1.00 0.00 C ATOM 1170 CD1 LEU A 76 3.431 6.152 -2.230 1.00 0.00 C ATOM 1171 CD2 LEU A 76 1.849 6.879 -0.434 1.00 0.00 C ATOM 0 H LEU A 76 5.775 7.664 0.511 1.00 0.00 H new ATOM 0 HA LEU A 76 3.441 7.115 1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.039 5.632 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.525 4.976 0.337 1.00 0.00 H new ATOM 0 HG LEU A 76 3.751 7.748 -0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.880 6.769 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.481 6.114 -2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.018 5.143 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.321 7.486 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.396 5.889 -0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.782 7.355 0.544 1.00 0.00 H new ATOM 1183 N LEU A 77 5.849 5.093 2.739 1.00 0.00 N ATOM 1184 CA LEU A 77 6.231 4.074 3.709 1.00 0.00 C ATOM 1185 C LEU A 77 6.351 4.671 5.108 1.00 0.00 C ATOM 1186 O LEU A 77 6.131 3.987 6.106 1.00 0.00 O ATOM 1187 CB LEU A 77 7.557 3.427 3.304 1.00 0.00 C ATOM 1188 CG LEU A 77 7.456 2.201 2.395 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.837 1.760 1.938 1.00 0.00 C ATOM 1190 CD2 LEU A 77 6.740 1.065 3.110 1.00 0.00 C ATOM 0 H LEU A 77 6.626 5.473 2.199 1.00 0.00 H new ATOM 0 HA LEU A 77 5.451 3.312 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.166 4.178 2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.090 3.139 4.210 1.00 0.00 H new ATOM 0 HG LEU A 77 6.875 2.473 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.745 0.887 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.314 2.570 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.444 1.506 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.677 0.201 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.294 0.794 4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.735 1.385 3.386 1.00 0.00 H new ATOM 1202 N ASN A 78 6.698 5.952 5.171 1.00 0.00 N ATOM 1203 CA ASN A 78 6.844 6.642 6.447 1.00 0.00 C ATOM 1204 C ASN A 78 5.484 6.887 7.093 1.00 0.00 C ATOM 1205 O ASN A 78 5.352 6.853 8.316 1.00 0.00 O ATOM 1206 CB ASN A 78 7.574 7.973 6.251 1.00 0.00 C ATOM 1207 CG ASN A 78 9.081 7.823 6.331 1.00 0.00 C ATOM 1208 OD1 ASN A 78 9.591 6.827 6.845 1.00 0.00 O ATOM 1209 ND2 ASN A 78 9.802 8.815 5.822 1.00 0.00 N ATOM 0 H ASN A 78 6.883 6.533 4.354 1.00 0.00 H new ATOM 0 HA ASN A 78 7.432 6.006 7.109 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.304 8.393 5.282 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.241 8.682 7.009 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.821 8.770 5.847 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.337 9.622 5.406 1.00 0.00 H new ATOM 1216 N GLU A 79 4.476 7.131 6.262 1.00 0.00 N ATOM 1217 CA GLU A 79 3.126 7.381 6.753 1.00 0.00 C ATOM 1218 C GLU A 79 2.375 6.070 6.973 1.00 0.00 C ATOM 1219 O GLU A 79 1.578 5.948 7.901 1.00 0.00 O ATOM 1220 CB GLU A 79 2.356 8.262 5.767 1.00 0.00 C ATOM 1221 CG GLU A 79 2.958 9.646 5.589 1.00 0.00 C ATOM 1222 CD GLU A 79 2.656 10.568 6.755 1.00 0.00 C ATOM 1223 OE1 GLU A 79 3.369 10.486 7.777 1.00 0.00 O ATOM 1224 OE2 GLU A 79 1.706 11.371 6.645 1.00 0.00 O ATOM 0 H GLU A 79 4.568 7.161 5.247 1.00 0.00 H new ATOM 0 HA GLU A 79 3.205 7.900 7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.320 7.763 4.798 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.327 8.364 6.111 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.038 9.556 5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.574 10.090 4.671 1.00 0.00 H new ATOM 1231 N GLY A 80 2.638 5.093 6.110 1.00 0.00 N ATOM 1232 CA GLY A 80 1.980 3.805 6.226 1.00 0.00 C ATOM 1233 C GLY A 80 1.331 3.366 4.929 1.00 0.00 C ATOM 1234 O GLY A 80 1.117 2.174 4.705 1.00 0.00 O ATOM 0 H GLY A 80 3.295 5.171 5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.708 3.055 6.536 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.223 3.857 7.008 1.00 0.00 H new ATOM 1238 N TYR A 81 1.015 4.330 4.072 1.00 0.00 N ATOM 1239 CA TYR A 81 0.383 4.038 2.791 1.00 0.00 C ATOM 1240 C TYR A 81 0.959 2.766 2.177 1.00 0.00 C ATOM 1241 O TYR A 81 0.230 1.946 1.618 1.00 0.00 O ATOM 1242 CB TYR A 81 0.566 5.212 1.828 1.00 0.00 C ATOM 1243 CG TYR A 81 -0.183 6.458 2.242 1.00 0.00 C ATOM 1244 CD1 TYR A 81 -1.571 6.471 2.297 1.00 0.00 C ATOM 1245 CD2 TYR A 81 0.497 7.622 2.578 1.00 0.00 C ATOM 1246 CE1 TYR A 81 -2.260 7.608 2.674 1.00 0.00 C ATOM 1247 CE2 TYR A 81 -0.183 8.763 2.958 1.00 0.00 C ATOM 1248 CZ TYR A 81 -1.562 8.751 3.004 1.00 0.00 C ATOM 1249 OH TYR A 81 -2.243 9.885 3.380 1.00 0.00 O ATOM 0 H TYR A 81 1.186 5.321 4.241 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.682 3.885 2.967 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.628 5.446 1.751 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.233 4.911 0.835 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.121 5.577 2.041 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.576 7.635 2.541 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.339 7.602 2.710 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.361 9.659 3.217 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.603 10.600 3.580 1.00 0.00 H new ATOM 1259 N LEU A 82 2.274 2.609 2.284 1.00 0.00 N ATOM 1260 CA LEU A 82 2.951 1.437 1.740 1.00 0.00 C ATOM 1261 C LEU A 82 3.563 0.595 2.855 1.00 0.00 C ATOM 1262 O LEU A 82 3.986 1.123 3.883 1.00 0.00 O ATOM 1263 CB LEU A 82 4.039 1.864 0.753 1.00 0.00 C ATOM 1264 CG LEU A 82 3.552 2.396 -0.595 1.00 0.00 C ATOM 1265 CD1 LEU A 82 4.720 2.913 -1.419 1.00 0.00 C ATOM 1266 CD2 LEU A 82 2.798 1.314 -1.354 1.00 0.00 C ATOM 0 H LEU A 82 2.892 3.278 2.742 1.00 0.00 H new ATOM 0 HA LEU A 82 2.211 0.831 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.648 2.634 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.691 1.010 0.570 1.00 0.00 H new ATOM 0 HG LEU A 82 2.869 3.226 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.353 3.287 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.217 3.720 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.428 2.103 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.459 1.710 -2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.458 0.464 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.937 0.992 -0.769 1.00 0.00 H new ATOM 1278 N GLN A 83 3.607 -0.716 2.643 1.00 0.00 N ATOM 1279 CA GLN A 83 4.169 -1.631 3.630 1.00 0.00 C ATOM 1280 C GLN A 83 5.276 -2.481 3.017 1.00 0.00 C ATOM 1281 O GLN A 83 5.133 -3.042 1.930 1.00 0.00 O ATOM 1282 CB GLN A 83 3.073 -2.534 4.201 1.00 0.00 C ATOM 1283 CG GLN A 83 1.911 -1.768 4.812 1.00 0.00 C ATOM 1284 CD GLN A 83 2.253 -1.166 6.161 1.00 0.00 C ATOM 1285 OE1 GLN A 83 3.023 -1.739 6.932 1.00 0.00 O ATOM 1286 NE2 GLN A 83 1.680 -0.004 6.453 1.00 0.00 N ATOM 0 H GLN A 83 3.260 -1.169 1.797 1.00 0.00 H new ATOM 0 HA GLN A 83 4.598 -1.036 4.437 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.695 -3.179 3.408 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.508 -3.184 4.960 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.606 -0.974 4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.058 -2.437 4.923 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.048 0.435 5.784 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.872 0.449 7.346 1.00 0.00 H new ATOM 1295 N PRO A 84 6.409 -2.580 3.728 1.00 0.00 N ATOM 1296 CA PRO A 84 7.564 -3.360 3.273 1.00 0.00 C ATOM 1297 C PRO A 84 7.298 -4.862 3.304 1.00 0.00 C ATOM 1298 O PRO A 84 6.673 -5.372 4.234 1.00 0.00 O ATOM 1299 CB PRO A 84 8.659 -2.991 4.276 1.00 0.00 C ATOM 1300 CG PRO A 84 7.924 -2.581 5.506 1.00 0.00 C ATOM 1301 CD PRO A 84 6.650 -1.939 5.032 1.00 0.00 C ATOM 0 HA PRO A 84 7.823 -3.138 2.238 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.318 -3.837 4.472 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.284 -2.181 3.900 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.714 -3.442 6.141 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.515 -1.884 6.100 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.828 -2.117 5.725 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.756 -0.859 4.935 1.00 0.00 H new ATOM 1309 N ALA A 85 7.776 -5.564 2.282 1.00 0.00 N ATOM 1310 CA ALA A 85 7.591 -7.007 2.194 1.00 0.00 C ATOM 1311 C ALA A 85 8.893 -7.705 1.816 1.00 0.00 C ATOM 1312 O ALA A 85 9.202 -7.868 0.636 1.00 0.00 O ATOM 1313 CB ALA A 85 6.500 -7.339 1.187 1.00 0.00 C ATOM 0 H ALA A 85 8.294 -5.157 1.504 1.00 0.00 H new ATOM 0 HA ALA A 85 7.286 -7.370 3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.373 -8.420 1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.563 -6.879 1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.782 -6.956 0.206 1.00 0.00 H new ATOM 1319 N GLY A 86 9.655 -8.115 2.826 1.00 0.00 N ATOM 1320 CA GLY A 86 10.916 -8.790 2.578 1.00 0.00 C ATOM 1321 C GLY A 86 12.038 -8.259 3.448 1.00 0.00 C ATOM 1322 O GLY A 86 12.059 -7.078 3.794 1.00 0.00 O ATOM 0 H GLY A 86 9.422 -7.992 3.811 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.795 -9.858 2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.187 -8.673 1.529 1.00 0.00 H new ATOM 1326 N ASP A 87 12.971 -9.135 3.805 1.00 0.00 N ATOM 1327 CA ASP A 87 14.102 -8.748 4.641 1.00 0.00 C ATOM 1328 C ASP A 87 14.800 -7.515 4.076 1.00 0.00 C ATOM 1329 O ASP A 87 15.168 -6.604 4.816 1.00 0.00 O ATOM 1330 CB ASP A 87 15.097 -9.904 4.757 1.00 0.00 C ATOM 1331 CG ASP A 87 14.507 -11.106 5.469 1.00 0.00 C ATOM 1332 OD1 ASP A 87 13.367 -11.492 5.137 1.00 0.00 O ATOM 1333 OD2 ASP A 87 15.187 -11.661 6.358 1.00 0.00 O ATOM 0 H ASP A 87 12.967 -10.117 3.529 1.00 0.00 H new ATOM 0 HA ASP A 87 13.722 -8.505 5.633 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.424 -10.200 3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.982 -9.565 5.295 1.00 0.00 H new ATOM 1338 N MET A 88 14.980 -7.495 2.759 1.00 0.00 N ATOM 1339 CA MET A 88 15.634 -6.374 2.095 1.00 0.00 C ATOM 1340 C MET A 88 15.063 -5.045 2.581 1.00 0.00 C ATOM 1341 O MET A 88 15.722 -4.306 3.312 1.00 0.00 O ATOM 1342 CB MET A 88 15.471 -6.487 0.577 1.00 0.00 C ATOM 1343 CG MET A 88 16.312 -5.487 -0.200 1.00 0.00 C ATOM 1344 SD MET A 88 16.747 -6.079 -1.847 1.00 0.00 S ATOM 1345 CE MET A 88 16.424 -4.616 -2.828 1.00 0.00 C ATOM 0 H MET A 88 14.682 -8.242 2.131 1.00 0.00 H new ATOM 0 HA MET A 88 16.695 -6.406 2.343 1.00 0.00 H new ATOM 0 HB2 MET A 88 15.740 -7.496 0.265 1.00 0.00 H new ATOM 0 HB3 MET A 88 14.421 -6.344 0.321 1.00 0.00 H new ATOM 0 HG2 MET A 88 15.765 -4.548 -0.288 1.00 0.00 H new ATOM 0 HG3 MET A 88 17.224 -5.273 0.358 1.00 0.00 H new ATOM 0 HE1 MET A 88 16.887 -4.726 -3.809 1.00 0.00 H new ATOM 0 HE2 MET A 88 15.348 -4.488 -2.947 1.00 0.00 H new ATOM 0 HE3 MET A 88 16.840 -3.742 -2.326 1.00 0.00 H new ATOM 1355 N SER A 89 13.834 -4.749 2.171 1.00 0.00 N ATOM 1356 CA SER A 89 13.176 -3.507 2.562 1.00 0.00 C ATOM 1357 C SER A 89 13.049 -3.415 4.079 1.00 0.00 C ATOM 1358 O SER A 89 13.343 -2.380 4.677 1.00 0.00 O ATOM 1359 CB SER A 89 11.793 -3.413 1.916 1.00 0.00 C ATOM 1360 OG SER A 89 10.909 -4.377 2.460 1.00 0.00 O ATOM 0 H SER A 89 13.274 -5.352 1.568 1.00 0.00 H new ATOM 0 HA SER A 89 13.788 -2.675 2.215 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.385 -2.414 2.068 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.880 -3.561 0.840 1.00 0.00 H new ATOM 0 HG SER A 89 10.032 -4.295 2.031 1.00 0.00 H new ATOM 1366 N LYS A 90 12.607 -4.505 4.697 1.00 0.00 N ATOM 1367 CA LYS A 90 12.440 -4.550 6.145 1.00 0.00 C ATOM 1368 C LYS A 90 13.672 -3.994 6.852 1.00 0.00 C ATOM 1369 O LYS A 90 13.563 -3.363 7.904 1.00 0.00 O ATOM 1370 CB LYS A 90 12.181 -5.987 6.605 1.00 0.00 C ATOM 1371 CG LYS A 90 10.726 -6.408 6.494 1.00 0.00 C ATOM 1372 CD LYS A 90 10.436 -7.640 7.335 1.00 0.00 C ATOM 1373 CE LYS A 90 9.137 -8.310 6.914 1.00 0.00 C ATOM 1374 NZ LYS A 90 9.339 -9.239 5.768 1.00 0.00 N ATOM 0 H LYS A 90 12.358 -5.370 4.217 1.00 0.00 H new ATOM 0 HA LYS A 90 11.582 -3.931 6.406 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.793 -6.666 6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.503 -6.092 7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.084 -5.588 6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.484 -6.613 5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.259 -8.348 7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.377 -7.358 8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.722 -8.860 7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.407 -7.548 6.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.550 -9.140 5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.232 -9.009 5.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.376 -10.218 6.117 1.00 0.00 H new ATOM 1388 N SER A 91 14.842 -4.229 6.267 1.00 0.00 N ATOM 1389 CA SER A 91 16.094 -3.753 6.842 1.00 0.00 C ATOM 1390 C SER A 91 16.255 -2.251 6.627 1.00 0.00 C ATOM 1391 O SER A 91 16.875 -1.560 7.434 1.00 0.00 O ATOM 1392 CB SER A 91 17.279 -4.498 6.225 1.00 0.00 C ATOM 1393 OG SER A 91 18.430 -4.394 7.046 1.00 0.00 O ATOM 0 H SER A 91 14.949 -4.747 5.395 1.00 0.00 H new ATOM 0 HA SER A 91 16.070 -3.948 7.914 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.021 -5.548 6.087 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.495 -4.090 5.237 1.00 0.00 H new ATOM 0 HG SER A 91 19.173 -4.880 6.631 1.00 0.00 H new ATOM 1399 N ALA A 92 15.690 -1.753 5.531 1.00 0.00 N ATOM 1400 CA ALA A 92 15.768 -0.334 5.209 1.00 0.00 C ATOM 1401 C ALA A 92 14.842 0.484 6.103 1.00 0.00 C ATOM 1402 O ALA A 92 15.267 1.448 6.738 1.00 0.00 O ATOM 1403 CB ALA A 92 15.428 -0.106 3.744 1.00 0.00 C ATOM 0 H ALA A 92 15.174 -2.312 4.852 1.00 0.00 H new ATOM 0 HA ALA A 92 16.790 -0.002 5.389 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.490 0.958 3.517 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.133 -0.652 3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.417 -0.461 3.546 1.00 0.00 H new ATOM 1409 N VAL A 93 13.572 0.092 6.147 1.00 0.00 N ATOM 1410 CA VAL A 93 12.585 0.788 6.963 1.00 0.00 C ATOM 1411 C VAL A 93 13.024 0.851 8.422 1.00 0.00 C ATOM 1412 O VAL A 93 12.802 1.850 9.105 1.00 0.00 O ATOM 1413 CB VAL A 93 11.207 0.105 6.882 1.00 0.00 C ATOM 1414 CG1 VAL A 93 10.684 0.125 5.454 1.00 0.00 C ATOM 1415 CG2 VAL A 93 11.287 -1.319 7.409 1.00 0.00 C ATOM 0 H VAL A 93 13.203 -0.704 5.627 1.00 0.00 H new ATOM 0 HA VAL A 93 12.504 1.800 6.567 1.00 0.00 H new ATOM 0 HB VAL A 93 10.508 0.661 7.507 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.710 -0.362 5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.587 1.157 5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.380 -0.406 4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.305 -1.787 7.344 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.000 -1.888 6.812 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.614 -1.304 8.449 1.00 0.00 H new ATOM 1425 N ASP A 94 13.647 -0.224 8.893 1.00 0.00 N ATOM 1426 CA ASP A 94 14.119 -0.291 10.271 1.00 0.00 C ATOM 1427 C ASP A 94 15.642 -0.220 10.328 1.00 0.00 C ATOM 1428 O ASP A 94 16.286 -1.024 11.000 1.00 0.00 O ATOM 1429 CB ASP A 94 13.631 -1.579 10.937 1.00 0.00 C ATOM 1430 CG ASP A 94 12.182 -1.491 11.373 1.00 0.00 C ATOM 1431 OD1 ASP A 94 11.931 -1.044 12.512 1.00 0.00 O ATOM 1432 OD2 ASP A 94 11.298 -1.871 10.576 1.00 0.00 O ATOM 0 H ASP A 94 13.837 -1.060 8.341 1.00 0.00 H new ATOM 0 HA ASP A 94 13.713 0.565 10.810 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.749 -2.411 10.243 1.00 0.00 H new ATOM 0 HB3 ASP A 94 14.256 -1.796 11.803 1.00 0.00 H new ATOM 1483 N ASN A 99 16.244 7.453 3.570 1.00 0.00 N ATOM 1484 CA ASN A 99 15.026 7.024 2.892 1.00 0.00 C ATOM 1485 C ASN A 99 14.788 5.531 3.095 1.00 0.00 C ATOM 1486 O ASN A 99 15.637 4.694 2.788 1.00 0.00 O ATOM 1487 CB ASN A 99 15.111 7.340 1.397 1.00 0.00 C ATOM 1488 CG ASN A 99 16.532 7.274 0.872 1.00 0.00 C ATOM 1489 OD1 ASN A 99 17.189 6.236 0.956 1.00 0.00 O ATOM 1490 ND2 ASN A 99 17.014 8.385 0.328 1.00 0.00 N ATOM 0 HA ASN A 99 14.187 7.570 3.325 1.00 0.00 H new ATOM 0 HB2 ASN A 99 14.489 6.636 0.844 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.705 8.335 1.215 1.00 0.00 H new ATOM 0 HD21 ASN A 99 17.965 8.401 -0.041 1.00 0.00 H new ATOM 0 HD22 ASN A 99 16.434 9.222 0.279 1.00 0.00 H new ATOM 1497 N PRO A 100 13.604 5.186 3.624 1.00 0.00 N ATOM 1498 CA PRO A 100 13.226 3.793 3.879 1.00 0.00 C ATOM 1499 C PRO A 100 12.988 3.013 2.591 1.00 0.00 C ATOM 1500 O PRO A 100 12.897 1.785 2.605 1.00 0.00 O ATOM 1501 CB PRO A 100 11.925 3.919 4.676 1.00 0.00 C ATOM 1502 CG PRO A 100 11.362 5.239 4.276 1.00 0.00 C ATOM 1503 CD PRO A 100 12.544 6.131 4.013 1.00 0.00 C ATOM 0 HA PRO A 100 14.011 3.246 4.402 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.237 3.107 4.441 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.112 3.877 5.749 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.739 5.144 3.387 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.731 5.649 5.065 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.336 6.850 3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.821 6.703 4.899 1.00 0.00 H new ATOM 1511 N PHE A 101 12.888 3.732 1.478 1.00 0.00 N ATOM 1512 CA PHE A 101 12.660 3.106 0.181 1.00 0.00 C ATOM 1513 C PHE A 101 13.976 2.654 -0.444 1.00 0.00 C ATOM 1514 O PHE A 101 15.045 3.163 -0.104 1.00 0.00 O ATOM 1515 CB PHE A 101 11.944 4.078 -0.759 1.00 0.00 C ATOM 1516 CG PHE A 101 11.042 3.399 -1.750 1.00 0.00 C ATOM 1517 CD1 PHE A 101 9.901 2.736 -1.327 1.00 0.00 C ATOM 1518 CD2 PHE A 101 11.335 3.422 -3.104 1.00 0.00 C ATOM 1519 CE1 PHE A 101 9.068 2.110 -2.236 1.00 0.00 C ATOM 1520 CE2 PHE A 101 10.506 2.799 -4.017 1.00 0.00 C ATOM 1521 CZ PHE A 101 9.372 2.141 -3.583 1.00 0.00 C ATOM 0 H PHE A 101 12.961 4.749 1.448 1.00 0.00 H new ATOM 0 HA PHE A 101 12.031 2.229 0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 101 11.356 4.779 -0.166 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.688 4.664 -1.299 1.00 0.00 H new ATOM 0 HD1 PHE A 101 9.659 2.708 -0.275 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.222 3.933 -3.450 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.181 1.598 -1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.745 2.827 -5.070 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.724 1.652 -4.295 1.00 0.00 H new ATOM 1531 N LEU A 102 13.891 1.694 -1.359 1.00 0.00 N ATOM 1532 CA LEU A 102 15.075 1.171 -2.032 1.00 0.00 C ATOM 1533 C LEU A 102 14.924 1.260 -3.547 1.00 0.00 C ATOM 1534 O LEU A 102 15.823 0.873 -4.294 1.00 0.00 O ATOM 1535 CB LEU A 102 15.324 -0.280 -1.616 1.00 0.00 C ATOM 1536 CG LEU A 102 15.505 -0.527 -0.118 1.00 0.00 C ATOM 1537 CD1 LEU A 102 15.708 -2.009 0.157 1.00 0.00 C ATOM 1538 CD2 LEU A 102 16.677 0.282 0.418 1.00 0.00 C ATOM 0 H LEU A 102 13.015 1.262 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 102 15.930 1.779 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 102 14.488 -0.886 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 102 16.214 -0.638 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 102 14.600 -0.203 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.835 -2.166 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 102 14.838 -2.566 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.597 -2.358 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.791 0.094 1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 102 17.589 -0.011 -0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.491 1.344 0.254 1.00 0.00 H new ATOM 1550 N ASP A 103 13.783 1.772 -3.993 1.00 0.00 N ATOM 1551 CA ASP A 103 13.514 1.915 -5.420 1.00 0.00 C ATOM 1552 C ASP A 103 14.159 0.780 -6.210 1.00 0.00 C ATOM 1553 O ASP A 103 14.815 1.012 -7.224 1.00 0.00 O ATOM 1554 CB ASP A 103 14.031 3.263 -5.925 1.00 0.00 C ATOM 1555 CG ASP A 103 13.870 3.419 -7.425 1.00 0.00 C ATOM 1556 OD1 ASP A 103 13.186 2.574 -8.039 1.00 0.00 O ATOM 1557 OD2 ASP A 103 14.427 4.387 -7.983 1.00 0.00 O ATOM 0 H ASP A 103 13.029 2.095 -3.387 1.00 0.00 H new ATOM 0 HA ASP A 103 12.435 1.870 -5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.496 4.067 -5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.084 3.367 -5.663 1.00 0.00 H new ATOM 1562 N ASN A 104 13.968 -0.447 -5.737 1.00 0.00 N ATOM 1563 CA ASN A 104 14.533 -1.618 -6.398 1.00 0.00 C ATOM 1564 C ASN A 104 13.438 -2.613 -6.769 1.00 0.00 C ATOM 1565 O ASN A 104 12.439 -2.767 -6.066 1.00 0.00 O ATOM 1566 CB ASN A 104 15.565 -2.292 -5.493 1.00 0.00 C ATOM 1567 CG ASN A 104 16.965 -1.751 -5.710 1.00 0.00 C ATOM 1568 OD1 ASN A 104 17.463 -1.720 -6.835 1.00 0.00 O ATOM 1569 ND2 ASN A 104 17.607 -1.321 -4.630 1.00 0.00 N ATOM 0 H ASN A 104 13.426 -0.656 -4.898 1.00 0.00 H new ATOM 0 HA ASN A 104 15.024 -1.287 -7.313 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.280 -2.147 -4.451 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.561 -3.366 -5.679 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.552 -0.946 -4.714 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.155 -1.366 -3.717 1.00 0.00 H new ATOM 1576 N PRO A 105 13.628 -3.307 -7.902 1.00 0.00 N ATOM 1577 CA PRO A 105 12.668 -4.300 -8.392 1.00 0.00 C ATOM 1578 C PRO A 105 12.630 -5.549 -7.518 1.00 0.00 C ATOM 1579 O PRO A 105 11.836 -6.460 -7.755 1.00 0.00 O ATOM 1580 CB PRO A 105 13.193 -4.642 -9.789 1.00 0.00 C ATOM 1581 CG PRO A 105 14.651 -4.340 -9.730 1.00 0.00 C ATOM 1582 CD PRO A 105 14.795 -3.175 -8.790 1.00 0.00 C ATOM 0 HA PRO A 105 11.647 -3.917 -8.387 1.00 0.00 H new ATOM 0 HB2 PRO A 105 13.015 -5.689 -10.033 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.696 -4.047 -10.555 1.00 0.00 H new ATOM 0 HG2 PRO A 105 15.214 -5.202 -9.372 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.039 -4.094 -10.719 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.731 -3.221 -8.233 1.00 0.00 H new ATOM 0 HD3 PRO A 105 14.788 -2.225 -9.324 1.00 0.00 H new ATOM 1590 N ASP A 106 13.490 -5.585 -6.507 1.00 0.00 N ATOM 1591 CA ASP A 106 13.553 -6.722 -5.596 1.00 0.00 C ATOM 1592 C ASP A 106 12.865 -6.398 -4.273 1.00 0.00 C ATOM 1593 O ASP A 106 12.623 -7.284 -3.455 1.00 0.00 O ATOM 1594 CB ASP A 106 15.008 -7.121 -5.343 1.00 0.00 C ATOM 1595 CG ASP A 106 15.581 -7.960 -6.468 1.00 0.00 C ATOM 1596 OD1 ASP A 106 15.378 -9.192 -6.453 1.00 0.00 O ATOM 1597 OD2 ASP A 106 16.234 -7.385 -7.364 1.00 0.00 O ATOM 0 H ASP A 106 14.154 -4.840 -6.297 1.00 0.00 H new ATOM 0 HA ASP A 106 13.031 -7.558 -6.062 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.612 -6.222 -5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 106 15.072 -7.679 -4.409 1.00 0.00 H new ATOM 1602 N ALA A 107 12.553 -5.121 -4.072 1.00 0.00 N ATOM 1603 CA ALA A 107 11.893 -4.680 -2.850 1.00 0.00 C ATOM 1604 C ALA A 107 10.376 -4.695 -3.010 1.00 0.00 C ATOM 1605 O ALA A 107 9.800 -3.808 -3.640 1.00 0.00 O ATOM 1606 CB ALA A 107 12.371 -3.289 -2.464 1.00 0.00 C ATOM 0 H ALA A 107 12.747 -4.375 -4.740 1.00 0.00 H new ATOM 0 HA ALA A 107 12.155 -5.376 -2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.869 -2.973 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.448 -3.307 -2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.138 -2.589 -3.266 1.00 0.00 H new ATOM 1612 N PHE A 108 9.735 -5.707 -2.436 1.00 0.00 N ATOM 1613 CA PHE A 108 8.285 -5.838 -2.517 1.00 0.00 C ATOM 1614 C PHE A 108 7.597 -4.860 -1.568 1.00 0.00 C ATOM 1615 O PHE A 108 8.176 -4.439 -0.566 1.00 0.00 O ATOM 1616 CB PHE A 108 7.861 -7.271 -2.186 1.00 0.00 C ATOM 1617 CG PHE A 108 8.683 -8.315 -2.885 1.00 0.00 C ATOM 1618 CD1 PHE A 108 8.863 -8.269 -4.258 1.00 0.00 C ATOM 1619 CD2 PHE A 108 9.275 -9.344 -2.170 1.00 0.00 C ATOM 1620 CE1 PHE A 108 9.619 -9.229 -4.905 1.00 0.00 C ATOM 1621 CE2 PHE A 108 10.032 -10.306 -2.811 1.00 0.00 C ATOM 1622 CZ PHE A 108 10.204 -10.249 -4.180 1.00 0.00 C ATOM 0 H PHE A 108 10.197 -6.449 -1.910 1.00 0.00 H new ATOM 0 HA PHE A 108 7.981 -5.603 -3.537 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.934 -7.423 -1.109 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.813 -7.403 -2.457 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.407 -7.474 -4.830 1.00 0.00 H new ATOM 0 HD2 PHE A 108 9.143 -9.395 -1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 108 9.752 -9.181 -5.976 1.00 0.00 H new ATOM 0 HE2 PHE A 108 10.489 -11.102 -2.242 1.00 0.00 H new ATOM 0 HZ PHE A 108 10.795 -11.000 -4.683 1.00 0.00 H new ATOM 1632 N TYR A 109 6.359 -4.503 -1.892 1.00 0.00 N ATOM 1633 CA TYR A 109 5.593 -3.573 -1.071 1.00 0.00 C ATOM 1634 C TYR A 109 4.094 -3.780 -1.268 1.00 0.00 C ATOM 1635 O TYR A 109 3.630 -4.021 -2.383 1.00 0.00 O ATOM 1636 CB TYR A 109 5.969 -2.130 -1.412 1.00 0.00 C ATOM 1637 CG TYR A 109 7.316 -1.711 -0.869 1.00 0.00 C ATOM 1638 CD1 TYR A 109 7.510 -1.522 0.494 1.00 0.00 C ATOM 1639 CD2 TYR A 109 8.396 -1.505 -1.719 1.00 0.00 C ATOM 1640 CE1 TYR A 109 8.739 -1.139 0.994 1.00 0.00 C ATOM 1641 CE2 TYR A 109 9.629 -1.122 -1.227 1.00 0.00 C ATOM 1642 CZ TYR A 109 9.795 -0.940 0.130 1.00 0.00 C ATOM 1643 OH TYR A 109 11.022 -0.559 0.624 1.00 0.00 O ATOM 0 H TYR A 109 5.865 -4.843 -2.717 1.00 0.00 H new ATOM 0 HA TYR A 109 5.834 -3.767 -0.026 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.970 -2.010 -2.495 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.204 -1.461 -1.018 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.685 -1.677 1.174 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.269 -1.647 -2.782 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.872 -0.996 2.056 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.458 -0.966 -1.901 1.00 0.00 H new ATOM 0 HH TYR A 109 11.657 -0.463 -0.116 1.00 0.00 H new ATOM 1653 N TYR A 110 3.342 -3.685 -0.178 1.00 0.00 N ATOM 1654 CA TYR A 110 1.896 -3.863 -0.228 1.00 0.00 C ATOM 1655 C TYR A 110 1.183 -2.762 0.551 1.00 0.00 C ATOM 1656 O TYR A 110 1.779 -2.105 1.405 1.00 0.00 O ATOM 1657 CB TYR A 110 1.510 -5.232 0.333 1.00 0.00 C ATOM 1658 CG TYR A 110 1.879 -5.416 1.788 1.00 0.00 C ATOM 1659 CD1 TYR A 110 1.019 -5.006 2.800 1.00 0.00 C ATOM 1660 CD2 TYR A 110 3.087 -5.999 2.150 1.00 0.00 C ATOM 1661 CE1 TYR A 110 1.353 -5.171 4.131 1.00 0.00 C ATOM 1662 CE2 TYR A 110 3.428 -6.169 3.478 1.00 0.00 C ATOM 1663 CZ TYR A 110 2.557 -5.754 4.465 1.00 0.00 C ATOM 1664 OH TYR A 110 2.894 -5.920 5.788 1.00 0.00 O ATOM 0 H TYR A 110 3.710 -3.486 0.752 1.00 0.00 H new ATOM 0 HA TYR A 110 1.585 -3.804 -1.271 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.435 -5.372 0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.997 -6.008 -0.258 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.074 -4.551 2.542 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.771 -6.325 1.380 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.674 -4.845 4.905 1.00 0.00 H new ATOM 0 HE2 TYR A 110 4.371 -6.624 3.742 1.00 0.00 H new ATOM 0 HH TYR A 110 3.774 -6.347 5.850 1.00 0.00 H new ATOM 1674 N PHE A 111 -0.096 -2.566 0.250 1.00 0.00 N ATOM 1675 CA PHE A 111 -0.892 -1.545 0.922 1.00 0.00 C ATOM 1676 C PHE A 111 -1.518 -2.096 2.199 1.00 0.00 C ATOM 1677 O PHE A 111 -1.767 -3.294 2.332 1.00 0.00 O ATOM 1678 CB PHE A 111 -1.986 -1.024 -0.013 1.00 0.00 C ATOM 1679 CG PHE A 111 -1.456 -0.452 -1.296 1.00 0.00 C ATOM 1680 CD1 PHE A 111 -0.619 0.653 -1.284 1.00 0.00 C ATOM 1681 CD2 PHE A 111 -1.794 -1.017 -2.515 1.00 0.00 C ATOM 1682 CE1 PHE A 111 -0.130 1.182 -2.463 1.00 0.00 C ATOM 1683 CE2 PHE A 111 -1.308 -0.493 -3.698 1.00 0.00 C ATOM 1684 CZ PHE A 111 -0.474 0.608 -3.672 1.00 0.00 C ATOM 0 H PHE A 111 -0.604 -3.101 -0.455 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.230 -0.722 1.190 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.673 -1.838 -0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.562 -0.258 0.506 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.346 1.106 -0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.446 -1.878 -2.541 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.521 2.044 -2.440 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.580 -0.944 -4.641 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.092 1.019 -4.595 1.00 0.00 H new ATOM 1694 N PRO A 112 -1.778 -1.200 3.164 1.00 0.00 N ATOM 1695 CA PRO A 112 -2.378 -1.572 4.448 1.00 0.00 C ATOM 1696 C PRO A 112 -3.838 -1.990 4.307 1.00 0.00 C ATOM 1697 O PRO A 112 -4.323 -2.845 5.048 1.00 0.00 O ATOM 1698 CB PRO A 112 -2.267 -0.290 5.276 1.00 0.00 C ATOM 1699 CG PRO A 112 -2.222 0.808 4.271 1.00 0.00 C ATOM 1700 CD PRO A 112 -1.507 0.244 3.074 1.00 0.00 C ATOM 0 HA PRO A 112 -1.879 -2.431 4.897 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -3.118 -0.177 5.947 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.371 -0.296 5.896 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.227 1.136 4.006 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.696 1.677 4.666 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.886 0.667 2.144 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.438 0.455 3.108 1.00 0.00 H new ATOM 1708 N ASP A 113 -4.532 -1.384 3.350 1.00 0.00 N ATOM 1709 CA ASP A 113 -5.936 -1.694 3.111 1.00 0.00 C ATOM 1710 C ASP A 113 -6.078 -2.968 2.284 1.00 0.00 C ATOM 1711 O ASP A 113 -6.917 -3.820 2.576 1.00 0.00 O ATOM 1712 CB ASP A 113 -6.624 -0.529 2.397 1.00 0.00 C ATOM 1713 CG ASP A 113 -8.121 -0.506 2.636 1.00 0.00 C ATOM 1714 OD1 ASP A 113 -8.535 -0.185 3.770 1.00 0.00 O ATOM 1715 OD2 ASP A 113 -8.878 -0.809 1.690 1.00 0.00 O ATOM 0 H ASP A 113 -4.145 -0.675 2.727 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.416 -1.853 4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.190 0.410 2.739 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -6.431 -0.598 1.326 1.00 0.00 H new ATOM 1720 N SER A 114 -5.253 -3.091 1.249 1.00 0.00 N ATOM 1721 CA SER A 114 -5.289 -4.258 0.376 1.00 0.00 C ATOM 1722 C SER A 114 -5.092 -5.542 1.177 1.00 0.00 C ATOM 1723 O SER A 114 -4.044 -5.752 1.786 1.00 0.00 O ATOM 1724 CB SER A 114 -4.211 -4.147 -0.704 1.00 0.00 C ATOM 1725 OG SER A 114 -4.429 -5.089 -1.740 1.00 0.00 O ATOM 0 H SER A 114 -4.551 -2.396 0.995 1.00 0.00 H new ATOM 0 HA SER A 114 -6.269 -4.294 -0.101 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.210 -3.139 -1.119 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.229 -4.310 -0.260 1.00 0.00 H new ATOM 0 HG SER A 114 -3.818 -4.905 -2.483 1.00 0.00 H new ATOM 1731 N GLY A 115 -6.109 -6.398 1.171 1.00 0.00 N ATOM 1732 CA GLY A 115 -6.029 -7.650 1.900 1.00 0.00 C ATOM 1733 C GLY A 115 -4.798 -8.456 1.535 1.00 0.00 C ATOM 1734 O GLY A 115 -4.858 -9.346 0.687 1.00 0.00 O ATOM 0 H GLY A 115 -6.987 -6.247 0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.020 -7.444 2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.921 -8.243 1.697 1.00 0.00 H new ATOM 1738 N PHE A 116 -3.677 -8.143 2.177 1.00 0.00 N ATOM 1739 CA PHE A 116 -2.425 -8.842 1.913 1.00 0.00 C ATOM 1740 C PHE A 116 -2.225 -9.990 2.899 1.00 0.00 C ATOM 1741 O PHE A 116 -2.761 -9.972 4.007 1.00 0.00 O ATOM 1742 CB PHE A 116 -1.245 -7.871 1.998 1.00 0.00 C ATOM 1743 CG PHE A 116 0.051 -8.533 2.369 1.00 0.00 C ATOM 1744 CD1 PHE A 116 0.401 -8.704 3.699 1.00 0.00 C ATOM 1745 CD2 PHE A 116 0.919 -8.984 1.388 1.00 0.00 C ATOM 1746 CE1 PHE A 116 1.593 -9.313 4.044 1.00 0.00 C ATOM 1747 CE2 PHE A 116 2.112 -9.594 1.727 1.00 0.00 C ATOM 1748 CZ PHE A 116 2.450 -9.758 3.056 1.00 0.00 C ATOM 0 H PHE A 116 -3.610 -7.410 2.883 1.00 0.00 H new ATOM 0 HA PHE A 116 -2.474 -9.255 0.905 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -1.126 -7.371 1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.473 -7.099 2.733 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -0.265 -8.357 4.475 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.661 -8.858 0.347 1.00 0.00 H new ATOM 0 HE1 PHE A 116 1.854 -9.441 5.084 1.00 0.00 H new ATOM 0 HE2 PHE A 116 2.780 -9.942 0.953 1.00 0.00 H new ATOM 0 HZ PHE A 116 3.383 -10.233 3.322 1.00 0.00 H new ATOM 1758 N PHE A 117 -1.451 -10.988 2.486 1.00 0.00 N ATOM 1759 CA PHE A 117 -1.181 -12.145 3.331 1.00 0.00 C ATOM 1760 C PHE A 117 -0.024 -12.969 2.773 1.00 0.00 C ATOM 1761 O PHE A 117 -0.005 -13.310 1.590 1.00 0.00 O ATOM 1762 CB PHE A 117 -2.432 -13.019 3.451 1.00 0.00 C ATOM 1763 CG PHE A 117 -2.587 -14.001 2.325 1.00 0.00 C ATOM 1764 CD1 PHE A 117 -1.914 -15.212 2.347 1.00 0.00 C ATOM 1765 CD2 PHE A 117 -3.407 -13.713 1.246 1.00 0.00 C ATOM 1766 CE1 PHE A 117 -2.054 -16.116 1.312 1.00 0.00 C ATOM 1767 CE2 PHE A 117 -3.552 -14.615 0.208 1.00 0.00 C ATOM 1768 CZ PHE A 117 -2.876 -15.818 0.242 1.00 0.00 C ATOM 0 H PHE A 117 -1.000 -11.019 1.572 1.00 0.00 H new ATOM 0 HA PHE A 117 -0.902 -11.783 4.321 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.396 -13.563 4.395 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.312 -12.377 3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -1.273 -15.452 3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -3.939 -12.774 1.215 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -1.521 -17.055 1.339 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -4.193 -14.379 -0.628 1.00 0.00 H new ATOM 0 HZ PHE A 117 -2.989 -16.525 -0.566 1.00 0.00 H new ATOM 1778 N CYS A 118 0.939 -13.283 3.632 1.00 0.00 N ATOM 1779 CA CYS A 118 2.102 -14.065 3.225 1.00 0.00 C ATOM 1780 C CYS A 118 1.933 -15.531 3.613 1.00 0.00 C ATOM 1781 O CYS A 118 1.550 -15.844 4.739 1.00 0.00 O ATOM 1782 CB CYS A 118 3.371 -13.499 3.862 1.00 0.00 C ATOM 1783 SG CYS A 118 3.426 -13.652 5.663 1.00 0.00 S ATOM 0 H CYS A 118 0.938 -13.009 4.614 1.00 0.00 H new ATOM 0 HA CYS A 118 2.190 -14.003 2.140 1.00 0.00 H new ATOM 0 HB2 CYS A 118 4.236 -14.010 3.438 1.00 0.00 H new ATOM 0 HB3 CYS A 118 3.460 -12.446 3.595 1.00 0.00 H new ATOM 0 HG CYS A 118 2.678 -14.647 6.037 1.00 0.00 H new ATOM 1789 N GLU A 119 2.222 -16.423 2.671 1.00 0.00 N ATOM 1790 CA GLU A 119 2.100 -17.856 2.914 1.00 0.00 C ATOM 1791 C GLU A 119 3.455 -18.546 2.789 1.00 0.00 C ATOM 1792 O GLU A 119 4.187 -18.329 1.824 1.00 0.00 O ATOM 1793 CB GLU A 119 1.105 -18.479 1.933 1.00 0.00 C ATOM 1794 CG GLU A 119 1.449 -18.226 0.475 1.00 0.00 C ATOM 1795 CD GLU A 119 0.795 -19.224 -0.461 1.00 0.00 C ATOM 1796 OE1 GLU A 119 1.020 -20.440 -0.282 1.00 0.00 O ATOM 1797 OE2 GLU A 119 0.058 -18.791 -1.371 1.00 0.00 O ATOM 0 H GLU A 119 2.542 -16.179 1.734 1.00 0.00 H new ATOM 0 HA GLU A 119 1.733 -17.997 3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.062 -19.554 2.106 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.110 -18.083 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 119 1.136 -17.218 0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 119 2.531 -18.270 0.348 1.00 0.00 H new