USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 806 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 104 MET CE :methyl 170:sc= -2.27 (180deg=-2.09) USER MOD Set 1.2: A 105 THR OG1 : rot 45:sc= 0.742 USER MOD Set 2.1: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 80 MET CE :methyl -172:sc= -0.574 (180deg=-0.697) USER MOD Set 3.1: A 38 SER OG : rot 180:sc= -0.284 USER MOD Set 3.2: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.0121 X(o=0.012,f=0.0098) USER MOD Single : A 19 THR OG1 : rot 83:sc= 0.979 USER MOD Single : A 25 LYS NZ :NH3+ -123:sc= -0.587 (180deg=-0.856) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 99:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 4:sc= 0.837 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot -89:sc= 0.9 USER MOD Single : A 56 ASN : amide:sc= -2.89! K(o=-2.9!,f=-0.82) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.375) USER MOD Single : A 62 THR OG1 : rot -44:sc= 0.161 USER MOD Single : A 64 ASN : amide:sc= -0.782 K(o=-0.78,f=-0.046) USER MOD Single : A 66 ASN : amide:sc= -2.7 K(o=-2.7,f=-9.5!) USER MOD Single : A 72 ASN : amide:sc= -1.84! K(o=-1.8!,f=-1.1) USER MOD Single : A 73 ASN : amide:sc= -0.739 K(o=-0.74,f=-2.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 95:sc= 0.165 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.953! X(o=-0.95!,f=-1.2) USER MOD Single : A 101 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0305) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 CYS SG : rot -6:sc= -1.23 USER MOD ----------------------------------------------------------------- ATOM 92 N ASP A 10 12.303 3.668 7.505 1.00 0.00 N ATOM 93 CA ASP A 10 11.889 4.807 6.693 1.00 0.00 C ATOM 94 C ASP A 10 11.795 4.418 5.220 1.00 0.00 C ATOM 95 O ASP A 10 11.246 5.161 4.405 1.00 0.00 O ATOM 96 CB ASP A 10 12.871 5.967 6.864 1.00 0.00 C ATOM 97 CG ASP A 10 12.249 7.306 6.520 1.00 0.00 C ATOM 98 OD1 ASP A 10 11.976 7.543 5.323 1.00 0.00 O ATOM 99 OD2 ASP A 10 12.037 8.117 7.444 1.00 0.00 O ATOM 0 HA ASP A 10 10.902 5.123 7.032 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.228 5.989 7.894 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.741 5.800 6.229 1.00 0.00 H new ATOM 104 N ILE A 11 12.334 3.251 4.886 1.00 0.00 N ATOM 105 CA ILE A 11 12.310 2.764 3.512 1.00 0.00 C ATOM 106 C ILE A 11 10.894 2.397 3.083 1.00 0.00 C ATOM 107 O ILE A 11 10.597 2.313 1.891 1.00 0.00 O ATOM 108 CB ILE A 11 13.222 1.536 3.334 1.00 0.00 C ATOM 109 CG1 ILE A 11 13.533 1.315 1.852 1.00 0.00 C ATOM 110 CG2 ILE A 11 12.569 0.299 3.933 1.00 0.00 C ATOM 111 CD1 ILE A 11 14.764 0.469 1.613 1.00 0.00 C ATOM 0 H ILE A 11 12.793 2.625 5.548 1.00 0.00 H new ATOM 0 HA ILE A 11 12.679 3.575 2.884 1.00 0.00 H new ATOM 0 HB ILE A 11 14.159 1.719 3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.676 0.838 1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.668 2.283 1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.226 -0.560 3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.393 0.459 4.997 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.619 0.111 3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.924 0.354 0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.632 0.955 2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.625 -0.512 2.067 1.00 0.00 H new ATOM 123 N ILE A 12 10.022 2.181 4.063 1.00 0.00 N ATOM 124 CA ILE A 12 8.635 1.827 3.787 1.00 0.00 C ATOM 125 C ILE A 12 8.032 2.748 2.731 1.00 0.00 C ATOM 126 O ILE A 12 7.221 2.320 1.909 1.00 0.00 O ATOM 127 CB ILE A 12 7.773 1.890 5.061 1.00 0.00 C ATOM 128 CG1 ILE A 12 8.226 0.827 6.063 1.00 0.00 C ATOM 129 CG2 ILE A 12 6.303 1.709 4.715 1.00 0.00 C ATOM 130 CD1 ILE A 12 7.379 0.778 7.316 1.00 0.00 C ATOM 0 H ILE A 12 10.252 2.245 5.055 1.00 0.00 H new ATOM 0 HA ILE A 12 8.639 0.803 3.413 1.00 0.00 H new ATOM 0 HB ILE A 12 7.900 2.871 5.520 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.202 -0.150 5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.262 1.020 6.342 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.706 1.756 5.626 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.989 2.501 4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.158 0.741 4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.758 0.002 7.981 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.422 1.742 7.822 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.346 0.554 7.049 1.00 0.00 H new ATOM 142 N VAL A 13 8.434 4.014 2.760 1.00 0.00 N ATOM 143 CA VAL A 13 7.936 4.997 1.804 1.00 0.00 C ATOM 144 C VAL A 13 8.633 4.854 0.456 1.00 0.00 C ATOM 145 O VAL A 13 7.984 4.687 -0.576 1.00 0.00 O ATOM 146 CB VAL A 13 8.132 6.433 2.322 1.00 0.00 C ATOM 147 CG1 VAL A 13 7.771 7.444 1.245 1.00 0.00 C ATOM 148 CG2 VAL A 13 7.307 6.664 3.579 1.00 0.00 C ATOM 0 H VAL A 13 9.103 4.384 3.435 1.00 0.00 H new ATOM 0 HA VAL A 13 6.870 4.807 1.680 1.00 0.00 H new ATOM 0 HB VAL A 13 9.184 6.568 2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.916 8.453 1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.410 7.292 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.728 7.312 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.458 7.684 3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.251 6.510 3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.619 5.963 4.353 1.00 0.00 H new ATOM 158 N ASN A 14 9.961 4.921 0.472 1.00 0.00 N ATOM 159 CA ASN A 14 10.747 4.800 -0.750 1.00 0.00 C ATOM 160 C ASN A 14 10.345 3.554 -1.534 1.00 0.00 C ATOM 161 O ASN A 14 9.997 3.636 -2.711 1.00 0.00 O ATOM 162 CB ASN A 14 12.239 4.748 -0.417 1.00 0.00 C ATOM 163 CG ASN A 14 13.100 5.317 -1.529 1.00 0.00 C ATOM 164 OD1 ASN A 14 13.417 6.506 -1.538 1.00 0.00 O ATOM 165 ND2 ASN A 14 13.482 4.466 -2.475 1.00 0.00 N ATOM 0 H ASN A 14 10.515 5.058 1.318 1.00 0.00 H new ATOM 0 HA ASN A 14 10.550 5.676 -1.368 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.423 5.304 0.502 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.531 3.715 -0.228 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.062 4.790 -3.249 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.196 3.488 -2.427 1.00 0.00 H new ATOM 172 N TRP A 15 10.397 2.404 -0.871 1.00 0.00 N ATOM 173 CA TRP A 15 10.038 1.141 -1.507 1.00 0.00 C ATOM 174 C TRP A 15 8.732 1.273 -2.282 1.00 0.00 C ATOM 175 O TRP A 15 8.651 0.893 -3.450 1.00 0.00 O ATOM 176 CB TRP A 15 9.913 0.036 -0.456 1.00 0.00 C ATOM 177 CG TRP A 15 9.978 -1.345 -1.035 1.00 0.00 C ATOM 178 CD1 TRP A 15 11.100 -2.095 -1.238 1.00 0.00 C ATOM 179 CD2 TRP A 15 8.875 -2.138 -1.488 1.00 0.00 C ATOM 180 NE1 TRP A 15 10.762 -3.308 -1.790 1.00 0.00 N ATOM 181 CE2 TRP A 15 9.403 -3.358 -1.952 1.00 0.00 C ATOM 182 CE3 TRP A 15 7.494 -1.936 -1.544 1.00 0.00 C ATOM 183 CZ2 TRP A 15 8.596 -4.371 -2.466 1.00 0.00 C ATOM 184 CZ3 TRP A 15 6.694 -2.942 -2.054 1.00 0.00 C ATOM 185 CH2 TRP A 15 7.247 -4.146 -2.508 1.00 0.00 C ATOM 0 H TRP A 15 10.684 2.320 0.104 1.00 0.00 H new ATOM 0 HA TRP A 15 10.829 0.878 -2.209 1.00 0.00 H new ATOM 0 HB2 TRP A 15 10.710 0.152 0.279 1.00 0.00 H new ATOM 0 HB3 TRP A 15 8.969 0.155 0.076 1.00 0.00 H new ATOM 0 HD1 TRP A 15 12.106 -1.782 -1.000 1.00 0.00 H new ATOM 0 HE1 TRP A 15 11.417 -4.050 -2.038 1.00 0.00 H new ATOM 0 HE3 TRP A 15 7.059 -1.011 -1.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 9.020 -5.300 -2.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.625 -2.797 -2.103 1.00 0.00 H new ATOM 0 HH2 TRP A 15 6.595 -4.913 -2.899 1.00 0.00 H new ATOM 196 N VAL A 16 7.711 1.815 -1.626 1.00 0.00 N ATOM 197 CA VAL A 16 6.409 1.998 -2.255 1.00 0.00 C ATOM 198 C VAL A 16 6.508 2.921 -3.465 1.00 0.00 C ATOM 199 O VAL A 16 6.023 2.595 -4.547 1.00 0.00 O ATOM 200 CB VAL A 16 5.383 2.578 -1.263 1.00 0.00 C ATOM 201 CG1 VAL A 16 4.028 2.746 -1.933 1.00 0.00 C ATOM 202 CG2 VAL A 16 5.273 1.692 -0.032 1.00 0.00 C ATOM 0 H VAL A 16 7.761 2.135 -0.659 1.00 0.00 H new ATOM 0 HA VAL A 16 6.073 1.013 -2.579 1.00 0.00 H new ATOM 0 HB VAL A 16 5.728 3.562 -0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.316 3.157 -1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.123 3.425 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.672 1.777 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.544 2.117 0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.952 0.694 -0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.244 1.630 0.459 1.00 0.00 H new ATOM 212 N ASN A 17 7.140 4.074 -3.272 1.00 0.00 N ATOM 213 CA ASN A 17 7.303 5.044 -4.348 1.00 0.00 C ATOM 214 C ASN A 17 7.967 4.404 -5.563 1.00 0.00 C ATOM 215 O ASN A 17 7.397 4.378 -6.652 1.00 0.00 O ATOM 216 CB ASN A 17 8.135 6.236 -3.866 1.00 0.00 C ATOM 217 CG ASN A 17 7.297 7.271 -3.141 1.00 0.00 C ATOM 218 OD1 ASN A 17 7.064 8.367 -3.651 1.00 0.00 O ATOM 219 ND2 ASN A 17 6.839 6.926 -1.943 1.00 0.00 N ATOM 0 H ASN A 17 7.547 4.359 -2.381 1.00 0.00 H new ATOM 0 HA ASN A 17 6.313 5.394 -4.641 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.923 5.881 -3.202 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.625 6.703 -4.721 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.269 7.581 -1.407 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.057 6.006 -1.559 1.00 0.00 H new ATOM 226 N GLU A 18 9.178 3.889 -5.365 1.00 0.00 N ATOM 227 CA GLU A 18 9.919 3.248 -6.446 1.00 0.00 C ATOM 228 C GLU A 18 9.058 2.205 -7.153 1.00 0.00 C ATOM 229 O GLU A 18 8.778 2.321 -8.347 1.00 0.00 O ATOM 230 CB GLU A 18 11.191 2.593 -5.903 1.00 0.00 C ATOM 231 CG GLU A 18 12.368 3.547 -5.792 1.00 0.00 C ATOM 232 CD GLU A 18 13.698 2.825 -5.701 1.00 0.00 C ATOM 233 OE1 GLU A 18 13.982 1.992 -6.587 1.00 0.00 O ATOM 234 OE2 GLU A 18 14.455 3.092 -4.744 1.00 0.00 O ATOM 0 H GLU A 18 9.665 3.903 -4.469 1.00 0.00 H new ATOM 0 HA GLU A 18 10.194 4.016 -7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.981 2.172 -4.920 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.467 1.763 -6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.377 4.209 -6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.239 4.176 -4.911 1.00 0.00 H new ATOM 241 N THR A 19 8.642 1.186 -6.408 1.00 0.00 N ATOM 242 CA THR A 19 7.815 0.122 -6.962 1.00 0.00 C ATOM 243 C THR A 19 6.781 0.678 -7.933 1.00 0.00 C ATOM 244 O THR A 19 6.473 0.057 -8.952 1.00 0.00 O ATOM 245 CB THR A 19 7.091 -0.663 -5.853 1.00 0.00 C ATOM 246 OG1 THR A 19 8.046 -1.331 -5.021 1.00 0.00 O ATOM 247 CG2 THR A 19 6.130 -1.681 -6.448 1.00 0.00 C ATOM 0 H THR A 19 8.865 1.075 -5.419 1.00 0.00 H new ATOM 0 HA THR A 19 8.485 -0.552 -7.496 1.00 0.00 H new ATOM 0 HB THR A 19 6.519 0.045 -5.253 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.393 -0.704 -4.353 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.631 -2.223 -5.645 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.386 -1.167 -7.056 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.684 -2.384 -7.070 1.00 0.00 H new ATOM 255 N LEU A 20 6.247 1.851 -7.613 1.00 0.00 N ATOM 256 CA LEU A 20 5.246 2.493 -8.460 1.00 0.00 C ATOM 257 C LEU A 20 5.900 3.162 -9.664 1.00 0.00 C ATOM 258 O LEU A 20 5.467 2.975 -10.801 1.00 0.00 O ATOM 259 CB LEU A 20 4.456 3.526 -7.654 1.00 0.00 C ATOM 260 CG LEU A 20 3.515 2.968 -6.587 1.00 0.00 C ATOM 261 CD1 LEU A 20 3.351 3.961 -5.448 1.00 0.00 C ATOM 262 CD2 LEU A 20 2.163 2.623 -7.195 1.00 0.00 C ATOM 0 H LEU A 20 6.490 2.378 -6.774 1.00 0.00 H new ATOM 0 HA LEU A 20 4.564 1.724 -8.822 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.164 4.198 -7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.869 4.128 -8.348 1.00 0.00 H new ATOM 0 HG LEU A 20 3.954 2.055 -6.185 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.678 3.546 -4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.322 4.158 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.935 4.892 -5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.506 2.227 -6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.718 3.520 -7.625 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.296 1.874 -7.976 1.00 0.00 H new ATOM 274 N ARG A 21 6.946 3.941 -9.407 1.00 0.00 N ATOM 275 CA ARG A 21 7.660 4.637 -10.471 1.00 0.00 C ATOM 276 C ARG A 21 8.150 3.654 -11.530 1.00 0.00 C ATOM 277 O ARG A 21 7.917 3.847 -12.723 1.00 0.00 O ATOM 278 CB ARG A 21 8.844 5.415 -9.895 1.00 0.00 C ATOM 279 CG ARG A 21 9.238 6.627 -10.723 1.00 0.00 C ATOM 280 CD ARG A 21 8.358 7.827 -10.407 1.00 0.00 C ATOM 281 NE ARG A 21 8.676 8.976 -11.251 1.00 0.00 N ATOM 282 CZ ARG A 21 7.920 10.066 -11.324 1.00 0.00 C ATOM 283 NH1 ARG A 21 6.807 10.154 -10.608 1.00 0.00 N ATOM 284 NH2 ARG A 21 8.275 11.070 -12.115 1.00 0.00 N ATOM 0 H ARG A 21 7.318 4.106 -8.472 1.00 0.00 H new ATOM 0 HA ARG A 21 6.969 5.336 -10.941 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.597 5.741 -8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.702 4.747 -9.814 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.281 6.878 -10.529 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.160 6.386 -11.783 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.311 7.555 -10.544 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.482 8.101 -9.359 1.00 0.00 H new ATOM 0 HE ARG A 21 9.525 8.939 -11.815 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.530 9.384 -10.000 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.228 10.992 -10.666 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.129 11.006 -12.668 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.693 11.906 -12.170 1.00 0.00 H new ATOM 298 N GLU A 22 8.830 2.602 -11.084 1.00 0.00 N ATOM 299 CA GLU A 22 9.353 1.591 -11.995 1.00 0.00 C ATOM 300 C GLU A 22 8.310 1.209 -13.043 1.00 0.00 C ATOM 301 O GLU A 22 8.620 1.089 -14.227 1.00 0.00 O ATOM 302 CB GLU A 22 9.788 0.348 -11.217 1.00 0.00 C ATOM 303 CG GLU A 22 10.861 0.626 -10.176 1.00 0.00 C ATOM 304 CD GLU A 22 12.263 0.542 -10.747 1.00 0.00 C ATOM 305 OE1 GLU A 22 12.457 0.960 -11.907 1.00 0.00 O ATOM 306 OE2 GLU A 22 13.166 0.059 -10.033 1.00 0.00 O ATOM 0 H GLU A 22 9.031 2.428 -10.099 1.00 0.00 H new ATOM 0 HA GLU A 22 10.218 2.013 -12.506 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.918 -0.084 -10.723 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.159 -0.398 -11.919 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.704 1.618 -9.753 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.762 -0.088 -9.358 1.00 0.00 H new ATOM 313 N ALA A 23 7.074 1.020 -12.596 1.00 0.00 N ATOM 314 CA ALA A 23 5.985 0.653 -13.493 1.00 0.00 C ATOM 315 C ALA A 23 5.335 1.891 -14.101 1.00 0.00 C ATOM 316 O ALA A 23 4.551 1.790 -15.044 1.00 0.00 O ATOM 317 CB ALA A 23 4.949 -0.180 -12.752 1.00 0.00 C ATOM 0 H ALA A 23 6.801 1.115 -11.618 1.00 0.00 H new ATOM 0 HA ALA A 23 6.401 0.057 -14.305 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.142 -0.447 -13.434 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.417 -1.088 -12.371 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.545 0.397 -11.920 1.00 0.00 H new ATOM 323 N GLU A 24 5.666 3.057 -13.555 1.00 0.00 N ATOM 324 CA GLU A 24 5.112 4.313 -14.044 1.00 0.00 C ATOM 325 C GLU A 24 3.663 4.481 -13.596 1.00 0.00 C ATOM 326 O GLU A 24 2.791 4.829 -14.392 1.00 0.00 O ATOM 327 CB GLU A 24 5.194 4.372 -15.572 1.00 0.00 C ATOM 328 CG GLU A 24 6.498 3.829 -16.131 1.00 0.00 C ATOM 329 CD GLU A 24 6.344 3.276 -17.535 1.00 0.00 C ATOM 330 OE1 GLU A 24 5.604 3.884 -18.336 1.00 0.00 O ATOM 331 OE2 GLU A 24 6.964 2.232 -17.832 1.00 0.00 O ATOM 0 H GLU A 24 6.315 3.157 -12.774 1.00 0.00 H new ATOM 0 HA GLU A 24 5.701 5.128 -13.623 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.363 3.806 -15.994 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.072 5.406 -15.895 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.245 4.623 -16.137 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.872 3.044 -15.474 1.00 0.00 H new ATOM 338 N LYS A 25 3.414 4.231 -12.315 1.00 0.00 N ATOM 339 CA LYS A 25 2.072 4.354 -11.758 1.00 0.00 C ATOM 340 C LYS A 25 1.743 5.811 -11.448 1.00 0.00 C ATOM 341 O LYS A 25 2.638 6.623 -11.212 1.00 0.00 O ATOM 342 CB LYS A 25 1.946 3.510 -10.488 1.00 0.00 C ATOM 343 CG LYS A 25 1.348 2.135 -10.727 1.00 0.00 C ATOM 344 CD LYS A 25 2.217 1.304 -11.657 1.00 0.00 C ATOM 345 CE LYS A 25 1.473 0.080 -12.169 1.00 0.00 C ATOM 346 NZ LYS A 25 1.249 -0.924 -11.093 1.00 0.00 N ATOM 0 H LYS A 25 4.124 3.942 -11.643 1.00 0.00 H new ATOM 0 HA LYS A 25 1.362 3.990 -12.501 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.933 3.395 -10.039 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.328 4.045 -9.766 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.233 1.617 -9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.351 2.240 -11.156 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.538 1.916 -12.500 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.118 0.990 -11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.513 0.386 -12.585 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.041 -0.377 -12.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.664 -1.835 -11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.698 -0.597 -10.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.228 -1.043 -10.936 1.00 0.00 H new ATOM 360 N SER A 26 0.454 6.135 -11.449 1.00 0.00 N ATOM 361 CA SER A 26 0.007 7.495 -11.171 1.00 0.00 C ATOM 362 C SER A 26 -0.313 7.669 -9.689 1.00 0.00 C ATOM 363 O SER A 26 -0.948 8.645 -9.290 1.00 0.00 O ATOM 364 CB SER A 26 -1.224 7.833 -12.014 1.00 0.00 C ATOM 365 OG SER A 26 -0.863 8.106 -13.357 1.00 0.00 O ATOM 0 H SER A 26 -0.299 5.474 -11.639 1.00 0.00 H new ATOM 0 HA SER A 26 0.815 8.178 -11.433 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.928 7.001 -11.985 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.734 8.697 -11.588 1.00 0.00 H new ATOM 0 HG SER A 26 -1.667 8.317 -13.875 1.00 0.00 H new ATOM 371 N SER A 27 0.131 6.713 -8.878 1.00 0.00 N ATOM 372 CA SER A 27 -0.112 6.757 -7.441 1.00 0.00 C ATOM 373 C SER A 27 1.204 6.791 -6.669 1.00 0.00 C ATOM 374 O SER A 27 2.216 6.256 -7.122 1.00 0.00 O ATOM 375 CB SER A 27 -0.941 5.548 -7.005 1.00 0.00 C ATOM 376 OG SER A 27 -2.237 5.586 -7.576 1.00 0.00 O ATOM 0 H SER A 27 0.660 5.900 -9.192 1.00 0.00 H new ATOM 0 HA SER A 27 -0.668 7.668 -7.219 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.435 4.630 -7.304 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.019 5.530 -5.918 1.00 0.00 H new ATOM 0 HG SER A 27 -2.264 5.005 -8.364 1.00 0.00 H new ATOM 382 N SER A 28 1.181 7.423 -5.501 1.00 0.00 N ATOM 383 CA SER A 28 2.372 7.531 -4.667 1.00 0.00 C ATOM 384 C SER A 28 2.042 8.188 -3.329 1.00 0.00 C ATOM 385 O SER A 28 0.899 8.573 -3.081 1.00 0.00 O ATOM 386 CB SER A 28 3.455 8.334 -5.388 1.00 0.00 C ATOM 387 OG SER A 28 3.078 9.693 -5.524 1.00 0.00 O ATOM 0 H SER A 28 0.351 7.868 -5.110 1.00 0.00 H new ATOM 0 HA SER A 28 2.743 6.524 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.391 8.267 -4.834 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.636 7.903 -6.373 1.00 0.00 H new ATOM 0 HG SER A 28 3.788 10.185 -5.987 1.00 0.00 H new ATOM 393 N ILE A 29 3.050 8.313 -2.473 1.00 0.00 N ATOM 394 CA ILE A 29 2.868 8.925 -1.163 1.00 0.00 C ATOM 395 C ILE A 29 4.059 9.802 -0.795 1.00 0.00 C ATOM 396 O ILE A 29 5.167 9.603 -1.294 1.00 0.00 O ATOM 397 CB ILE A 29 2.671 7.860 -0.067 1.00 0.00 C ATOM 398 CG1 ILE A 29 3.731 6.764 -0.194 1.00 0.00 C ATOM 399 CG2 ILE A 29 1.273 7.264 -0.153 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.087 6.113 1.124 1.00 0.00 C ATOM 0 H ILE A 29 4.001 7.999 -2.663 1.00 0.00 H new ATOM 0 HA ILE A 29 1.972 9.542 -1.225 1.00 0.00 H new ATOM 0 HB ILE A 29 2.783 8.337 0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.371 5.999 -0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.632 7.190 -0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.149 6.513 0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.532 8.053 -0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.135 6.799 -1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.844 5.346 0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.477 6.866 1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.197 5.657 1.557 1.00 0.00 H new ATOM 412 N SER A 30 3.824 10.771 0.083 1.00 0.00 N ATOM 413 CA SER A 30 4.878 11.682 0.517 1.00 0.00 C ATOM 414 C SER A 30 5.469 11.232 1.850 1.00 0.00 C ATOM 415 O SER A 30 6.661 11.406 2.104 1.00 0.00 O ATOM 416 CB SER A 30 4.332 13.105 0.642 1.00 0.00 C ATOM 417 OG SER A 30 5.373 14.061 0.539 1.00 0.00 O ATOM 0 H SER A 30 2.914 10.946 0.508 1.00 0.00 H new ATOM 0 HA SER A 30 5.668 11.669 -0.234 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.591 13.284 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.822 13.220 1.598 1.00 0.00 H new ATOM 0 HG SER A 30 4.998 14.963 0.620 1.00 0.00 H new ATOM 423 N SER A 31 4.625 10.653 2.698 1.00 0.00 N ATOM 424 CA SER A 31 5.061 10.181 4.007 1.00 0.00 C ATOM 425 C SER A 31 4.001 9.288 4.644 1.00 0.00 C ATOM 426 O SER A 31 2.881 9.180 4.143 1.00 0.00 O ATOM 427 CB SER A 31 5.362 11.368 4.926 1.00 0.00 C ATOM 428 OG SER A 31 4.167 11.980 5.377 1.00 0.00 O ATOM 0 H SER A 31 3.636 10.500 2.502 1.00 0.00 H new ATOM 0 HA SER A 31 5.970 9.595 3.870 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.947 11.030 5.782 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.970 12.099 4.393 1.00 0.00 H new ATOM 0 HG SER A 31 4.387 12.734 5.963 1.00 0.00 H new ATOM 434 N PHE A 32 4.363 8.648 5.751 1.00 0.00 N ATOM 435 CA PHE A 32 3.444 7.762 6.456 1.00 0.00 C ATOM 436 C PHE A 32 2.082 8.425 6.642 1.00 0.00 C ATOM 437 O PHE A 32 1.054 7.752 6.698 1.00 0.00 O ATOM 438 CB PHE A 32 4.023 7.371 7.818 1.00 0.00 C ATOM 439 CG PHE A 32 5.056 6.283 7.741 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.774 5.087 7.100 1.00 0.00 C ATOM 441 CD2 PHE A 32 6.308 6.456 8.307 1.00 0.00 C ATOM 442 CE1 PHE A 32 5.722 4.084 7.028 1.00 0.00 C ATOM 443 CE2 PHE A 32 7.260 5.457 8.238 1.00 0.00 C ATOM 444 CZ PHE A 32 6.968 4.269 7.596 1.00 0.00 C ATOM 0 H PHE A 32 5.286 8.726 6.179 1.00 0.00 H new ATOM 0 HA PHE A 32 3.312 6.864 5.853 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.468 8.252 8.281 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.212 7.045 8.469 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.803 4.937 6.652 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.543 7.383 8.808 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.489 3.156 6.528 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.232 5.605 8.686 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.711 3.487 7.538 1.00 0.00 H new ATOM 454 N LYS A 33 2.086 9.751 6.738 1.00 0.00 N ATOM 455 CA LYS A 33 0.852 10.508 6.916 1.00 0.00 C ATOM 456 C LYS A 33 0.416 11.154 5.606 1.00 0.00 C ATOM 457 O LYS A 33 0.027 12.322 5.577 1.00 0.00 O ATOM 458 CB LYS A 33 1.041 11.583 7.989 1.00 0.00 C ATOM 459 CG LYS A 33 1.172 11.024 9.395 1.00 0.00 C ATOM 460 CD LYS A 33 0.941 12.096 10.446 1.00 0.00 C ATOM 461 CE LYS A 33 -0.527 12.188 10.835 1.00 0.00 C ATOM 462 NZ LYS A 33 -0.712 12.880 12.140 1.00 0.00 N ATOM 0 H LYS A 33 2.929 10.323 6.696 1.00 0.00 H new ATOM 0 HA LYS A 33 0.073 9.816 7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.932 12.166 7.754 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.194 12.269 7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.454 10.216 9.534 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.165 10.594 9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.540 11.876 11.330 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.279 13.060 10.065 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.075 12.723 10.059 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.951 11.186 10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.725 12.923 12.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.210 12.356 12.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.330 13.845 12.078 1.00 0.00 H new ATOM 476 N ASP A 34 0.481 10.387 4.522 1.00 0.00 N ATOM 477 CA ASP A 34 0.091 10.885 3.209 1.00 0.00 C ATOM 478 C ASP A 34 -1.428 10.904 3.064 1.00 0.00 C ATOM 479 O ASP A 34 -2.128 9.984 3.489 1.00 0.00 O ATOM 480 CB ASP A 34 0.710 10.021 2.108 1.00 0.00 C ATOM 481 CG ASP A 34 -0.006 10.174 0.781 1.00 0.00 C ATOM 482 OD1 ASP A 34 -1.073 9.551 0.607 1.00 0.00 O ATOM 483 OD2 ASP A 34 0.502 10.919 -0.085 1.00 0.00 O ATOM 0 H ASP A 34 0.800 9.418 4.528 1.00 0.00 H new ATOM 0 HA ASP A 34 0.460 11.906 3.110 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.759 10.291 1.985 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.684 8.975 2.413 1.00 0.00 H new ATOM 488 N PRO A 35 -1.951 11.976 2.452 1.00 0.00 N ATOM 489 CA PRO A 35 -3.392 12.141 2.238 1.00 0.00 C ATOM 490 C PRO A 35 -3.940 11.162 1.206 1.00 0.00 C ATOM 491 O PRO A 35 -5.005 10.573 1.398 1.00 0.00 O ATOM 492 CB PRO A 35 -3.513 13.579 1.729 1.00 0.00 C ATOM 493 CG PRO A 35 -2.188 13.876 1.114 1.00 0.00 C ATOM 494 CD PRO A 35 -1.176 13.110 1.921 1.00 0.00 C ATOM 0 HA PRO A 35 -3.964 11.947 3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.318 13.675 1.000 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.736 14.270 2.542 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.166 13.570 0.068 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.978 14.945 1.138 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.342 12.773 1.305 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.756 13.719 2.721 1.00 0.00 H new ATOM 502 N LYS A 36 -3.209 10.994 0.111 1.00 0.00 N ATOM 503 CA LYS A 36 -3.620 10.085 -0.953 1.00 0.00 C ATOM 504 C LYS A 36 -4.000 8.721 -0.386 1.00 0.00 C ATOM 505 O LYS A 36 -4.849 8.022 -0.941 1.00 0.00 O ATOM 506 CB LYS A 36 -2.497 9.926 -1.980 1.00 0.00 C ATOM 507 CG LYS A 36 -2.555 10.945 -3.106 1.00 0.00 C ATOM 508 CD LYS A 36 -1.797 12.213 -2.751 1.00 0.00 C ATOM 509 CE LYS A 36 -0.294 12.022 -2.892 1.00 0.00 C ATOM 510 NZ LYS A 36 0.160 12.222 -4.297 1.00 0.00 N ATOM 0 H LYS A 36 -2.327 11.476 -0.064 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.494 10.513 -1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.536 10.012 -1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.544 8.924 -2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.134 10.511 -4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.595 11.190 -3.323 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.124 13.027 -3.398 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.033 12.505 -1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.224 12.724 -2.239 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.022 11.019 -2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.189 12.083 -4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.316 11.535 -4.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.076 13.187 -4.604 1.00 0.00 H new ATOM 524 N ILE A 37 -3.368 8.348 0.723 1.00 0.00 N ATOM 525 CA ILE A 37 -3.642 7.069 1.364 1.00 0.00 C ATOM 526 C ILE A 37 -5.126 6.921 1.683 1.00 0.00 C ATOM 527 O ILE A 37 -5.668 5.816 1.668 1.00 0.00 O ATOM 528 CB ILE A 37 -2.831 6.905 2.664 1.00 0.00 C ATOM 529 CG1 ILE A 37 -1.331 6.982 2.367 1.00 0.00 C ATOM 530 CG2 ILE A 37 -3.175 5.588 3.341 1.00 0.00 C ATOM 531 CD1 ILE A 37 -0.464 6.492 3.505 1.00 0.00 C ATOM 0 H ILE A 37 -2.663 8.914 1.195 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.344 6.293 0.659 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.091 7.718 3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.115 6.392 1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.067 8.014 2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.594 5.487 4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.238 5.569 3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.940 4.762 2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.586 6.575 3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.652 7.097 4.392 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.700 5.450 3.720 1.00 0.00 H new ATOM 543 N SER A 38 -5.779 8.042 1.971 1.00 0.00 N ATOM 544 CA SER A 38 -7.201 8.038 2.295 1.00 0.00 C ATOM 545 C SER A 38 -8.008 7.370 1.188 1.00 0.00 C ATOM 546 O SER A 38 -9.026 6.727 1.447 1.00 0.00 O ATOM 547 CB SER A 38 -7.699 9.468 2.515 1.00 0.00 C ATOM 548 OG SER A 38 -9.083 9.574 2.230 1.00 0.00 O ATOM 0 H SER A 38 -5.346 8.965 1.987 1.00 0.00 H new ATOM 0 HA SER A 38 -7.338 7.468 3.214 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.513 9.767 3.547 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.140 10.154 1.878 1.00 0.00 H new ATOM 0 HG SER A 38 -9.378 10.497 2.379 1.00 0.00 H new ATOM 554 N THR A 39 -7.548 7.527 -0.049 1.00 0.00 N ATOM 555 CA THR A 39 -8.226 6.940 -1.198 1.00 0.00 C ATOM 556 C THR A 39 -7.686 5.548 -1.504 1.00 0.00 C ATOM 557 O THR A 39 -8.236 4.828 -2.338 1.00 0.00 O ATOM 558 CB THR A 39 -8.076 7.824 -2.451 1.00 0.00 C ATOM 559 OG1 THR A 39 -6.694 8.131 -2.671 1.00 0.00 O ATOM 560 CG2 THR A 39 -8.870 9.112 -2.303 1.00 0.00 C ATOM 0 H THR A 39 -6.708 8.056 -0.281 1.00 0.00 H new ATOM 0 HA THR A 39 -9.282 6.867 -0.938 1.00 0.00 H new ATOM 0 HB THR A 39 -8.466 7.273 -3.307 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.144 7.654 -2.014 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.748 9.719 -3.200 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.925 8.875 -2.165 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.507 9.666 -1.438 1.00 0.00 H new ATOM 568 N SER A 40 -6.608 5.173 -0.824 1.00 0.00 N ATOM 569 CA SER A 40 -5.991 3.868 -1.025 1.00 0.00 C ATOM 570 C SER A 40 -5.370 3.769 -2.415 1.00 0.00 C ATOM 571 O SER A 40 -5.226 2.677 -2.967 1.00 0.00 O ATOM 572 CB SER A 40 -7.027 2.758 -0.837 1.00 0.00 C ATOM 573 OG SER A 40 -7.757 2.939 0.363 1.00 0.00 O ATOM 0 H SER A 40 -6.143 5.756 -0.128 1.00 0.00 H new ATOM 0 HA SER A 40 -5.201 3.748 -0.284 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.712 2.748 -1.685 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.527 1.789 -0.820 1.00 0.00 H new ATOM 0 HG SER A 40 -8.413 2.218 0.459 1.00 0.00 H new ATOM 579 N LEU A 41 -5.004 4.916 -2.976 1.00 0.00 N ATOM 580 CA LEU A 41 -4.398 4.960 -4.302 1.00 0.00 C ATOM 581 C LEU A 41 -3.005 4.340 -4.285 1.00 0.00 C ATOM 582 O LEU A 41 -2.691 3.440 -5.064 1.00 0.00 O ATOM 583 CB LEU A 41 -4.318 6.405 -4.800 1.00 0.00 C ATOM 584 CG LEU A 41 -5.572 6.948 -5.486 1.00 0.00 C ATOM 585 CD1 LEU A 41 -5.367 8.396 -5.903 1.00 0.00 C ATOM 586 CD2 LEU A 41 -5.936 6.091 -6.689 1.00 0.00 C ATOM 0 H LEU A 41 -5.116 5.828 -2.533 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.025 4.382 -4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.085 7.048 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.484 6.482 -5.498 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.397 6.909 -4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.270 8.766 -6.390 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.155 9.002 -5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.529 8.460 -6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.831 6.493 -7.164 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.112 6.097 -7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.126 5.068 -6.363 1.00 0.00 H new ATOM 598 N PRO A 42 -2.150 4.829 -3.375 1.00 0.00 N ATOM 599 CA PRO A 42 -0.777 4.334 -3.233 1.00 0.00 C ATOM 600 C PRO A 42 -0.727 2.920 -2.664 1.00 0.00 C ATOM 601 O PRO A 42 0.264 2.209 -2.830 1.00 0.00 O ATOM 602 CB PRO A 42 -0.142 5.327 -2.255 1.00 0.00 C ATOM 603 CG PRO A 42 -1.286 5.871 -1.471 1.00 0.00 C ATOM 604 CD PRO A 42 -2.457 5.902 -2.414 1.00 0.00 C ATOM 0 HA PRO A 42 -0.264 4.272 -4.193 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.584 4.835 -1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.388 6.119 -2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.499 5.244 -0.605 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.062 6.869 -1.095 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.397 5.718 -1.894 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.550 6.869 -2.908 1.00 0.00 H new ATOM 612 N VAL A 43 -1.801 2.519 -1.992 1.00 0.00 N ATOM 613 CA VAL A 43 -1.880 1.189 -1.401 1.00 0.00 C ATOM 614 C VAL A 43 -2.458 0.181 -2.387 1.00 0.00 C ATOM 615 O VAL A 43 -2.202 -1.020 -2.287 1.00 0.00 O ATOM 616 CB VAL A 43 -2.741 1.192 -0.124 1.00 0.00 C ATOM 617 CG1 VAL A 43 -2.560 -0.107 0.646 1.00 0.00 C ATOM 618 CG2 VAL A 43 -2.396 2.391 0.748 1.00 0.00 C ATOM 0 H VAL A 43 -2.629 3.096 -1.843 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.862 0.898 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.789 1.271 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.176 -0.086 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.861 -0.946 0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.513 -0.221 0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.014 2.378 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.344 2.345 1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.583 3.310 0.193 1.00 0.00 H new ATOM 628 N LEU A 44 -3.238 0.676 -3.341 1.00 0.00 N ATOM 629 CA LEU A 44 -3.854 -0.180 -4.349 1.00 0.00 C ATOM 630 C LEU A 44 -2.959 -0.305 -5.577 1.00 0.00 C ATOM 631 O LEU A 44 -2.722 -1.406 -6.075 1.00 0.00 O ATOM 632 CB LEU A 44 -5.220 0.375 -4.754 1.00 0.00 C ATOM 633 CG LEU A 44 -6.342 0.209 -3.728 1.00 0.00 C ATOM 634 CD1 LEU A 44 -7.549 1.049 -4.117 1.00 0.00 C ATOM 635 CD2 LEU A 44 -6.731 -1.256 -3.595 1.00 0.00 C ATOM 0 H LEU A 44 -3.459 1.667 -3.438 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.986 -1.171 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.108 1.437 -4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.527 -0.110 -5.680 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.978 0.557 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.337 0.918 -3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.262 2.100 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.914 0.732 -5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.531 -1.355 -2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.075 -1.630 -4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.866 -1.834 -3.270 1.00 0.00 H new ATOM 647 N ASP A 45 -2.462 0.829 -6.060 1.00 0.00 N ATOM 648 CA ASP A 45 -1.591 0.846 -7.227 1.00 0.00 C ATOM 649 C ASP A 45 -0.276 0.129 -6.936 1.00 0.00 C ATOM 650 O ASP A 45 0.359 -0.418 -7.839 1.00 0.00 O ATOM 651 CB ASP A 45 -1.315 2.286 -7.664 1.00 0.00 C ATOM 652 CG ASP A 45 -1.083 2.406 -9.157 1.00 0.00 C ATOM 653 OD1 ASP A 45 -1.151 1.371 -9.851 1.00 0.00 O ATOM 654 OD2 ASP A 45 -0.834 3.534 -9.631 1.00 0.00 O ATOM 0 H ASP A 45 -2.649 1.749 -5.660 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.099 0.320 -8.035 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.157 2.916 -7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.441 2.662 -7.132 1.00 0.00 H new ATOM 659 N LEU A 46 0.127 0.138 -5.670 1.00 0.00 N ATOM 660 CA LEU A 46 1.368 -0.510 -5.258 1.00 0.00 C ATOM 661 C LEU A 46 1.257 -2.027 -5.382 1.00 0.00 C ATOM 662 O LEU A 46 2.184 -2.691 -5.848 1.00 0.00 O ATOM 663 CB LEU A 46 1.713 -0.129 -3.818 1.00 0.00 C ATOM 664 CG LEU A 46 2.752 -1.007 -3.122 1.00 0.00 C ATOM 665 CD1 LEU A 46 4.011 -1.118 -3.969 1.00 0.00 C ATOM 666 CD2 LEU A 46 3.082 -0.452 -1.743 1.00 0.00 C ATOM 0 H LEU A 46 -0.387 0.586 -4.911 1.00 0.00 H new ATOM 0 HA LEU A 46 2.164 -0.167 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.073 0.900 -3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.796 -0.149 -3.229 1.00 0.00 H new ATOM 0 HG LEU A 46 2.332 -2.005 -2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.739 -1.747 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.763 -1.561 -4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.434 -0.125 -4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.823 -1.090 -1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.482 0.557 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.177 -0.425 -1.135 1.00 0.00 H new ATOM 678 N ILE A 47 0.117 -2.567 -4.966 1.00 0.00 N ATOM 679 CA ILE A 47 -0.117 -4.004 -5.033 1.00 0.00 C ATOM 680 C ILE A 47 0.008 -4.515 -6.465 1.00 0.00 C ATOM 681 O ILE A 47 0.739 -5.469 -6.733 1.00 0.00 O ATOM 682 CB ILE A 47 -1.508 -4.375 -4.487 1.00 0.00 C ATOM 683 CG1 ILE A 47 -1.602 -4.036 -2.997 1.00 0.00 C ATOM 684 CG2 ILE A 47 -1.791 -5.851 -4.718 1.00 0.00 C ATOM 685 CD1 ILE A 47 -3.020 -4.024 -2.470 1.00 0.00 C ATOM 0 H ILE A 47 -0.660 -2.031 -4.579 1.00 0.00 H new ATOM 0 HA ILE A 47 0.645 -4.477 -4.413 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.259 -3.793 -5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.018 -4.761 -2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.151 -3.059 -2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.778 -6.098 -4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.761 -6.064 -5.786 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.038 -6.450 -4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.012 -3.777 -1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.603 -3.279 -3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.468 -5.008 -2.610 1.00 0.00 H new ATOM 697 N ASP A 48 -0.709 -3.872 -7.380 1.00 0.00 N ATOM 698 CA ASP A 48 -0.676 -4.259 -8.786 1.00 0.00 C ATOM 699 C ASP A 48 0.760 -4.371 -9.286 1.00 0.00 C ATOM 700 O ASP A 48 1.161 -5.401 -9.826 1.00 0.00 O ATOM 701 CB ASP A 48 -1.447 -3.246 -9.634 1.00 0.00 C ATOM 702 CG ASP A 48 -1.272 -3.482 -11.121 1.00 0.00 C ATOM 703 OD1 ASP A 48 -1.056 -4.648 -11.515 1.00 0.00 O ATOM 704 OD2 ASP A 48 -1.353 -2.503 -11.890 1.00 0.00 O ATOM 0 H ASP A 48 -1.320 -3.081 -7.174 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.151 -5.236 -8.879 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.506 -3.298 -9.383 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.110 -2.239 -9.387 1.00 0.00 H new ATOM 709 N ALA A 49 1.530 -3.303 -9.103 1.00 0.00 N ATOM 710 CA ALA A 49 2.922 -3.282 -9.535 1.00 0.00 C ATOM 711 C ALA A 49 3.598 -4.623 -9.273 1.00 0.00 C ATOM 712 O ALA A 49 4.234 -5.192 -10.161 1.00 0.00 O ATOM 713 CB ALA A 49 3.675 -2.163 -8.831 1.00 0.00 C ATOM 0 H ALA A 49 1.213 -2.441 -8.659 1.00 0.00 H new ATOM 0 HA ALA A 49 2.941 -3.099 -10.609 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.713 -2.158 -9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.213 -1.206 -9.072 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.639 -2.322 -7.753 1.00 0.00 H new ATOM 719 N ILE A 50 3.458 -5.123 -8.049 1.00 0.00 N ATOM 720 CA ILE A 50 4.055 -6.397 -7.673 1.00 0.00 C ATOM 721 C ILE A 50 3.417 -7.552 -8.437 1.00 0.00 C ATOM 722 O ILE A 50 4.096 -8.283 -9.157 1.00 0.00 O ATOM 723 CB ILE A 50 3.916 -6.659 -6.161 1.00 0.00 C ATOM 724 CG1 ILE A 50 4.447 -5.466 -5.364 1.00 0.00 C ATOM 725 CG2 ILE A 50 4.655 -7.931 -5.774 1.00 0.00 C ATOM 726 CD1 ILE A 50 4.110 -5.526 -3.891 1.00 0.00 C ATOM 0 H ILE A 50 2.936 -4.664 -7.302 1.00 0.00 H new ATOM 0 HA ILE A 50 5.113 -6.336 -7.929 1.00 0.00 H new ATOM 0 HB ILE A 50 2.860 -6.789 -5.925 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.530 -5.415 -5.479 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.038 -4.547 -5.785 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.548 -8.103 -4.703 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.236 -8.776 -6.321 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.712 -7.827 -6.021 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.518 -4.649 -3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.027 -5.546 -3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.542 -6.427 -3.455 1.00 0.00 H new ATOM 738 N GLN A 51 2.107 -7.708 -8.277 1.00 0.00 N ATOM 739 CA GLN A 51 1.377 -8.773 -8.954 1.00 0.00 C ATOM 740 C GLN A 51 0.467 -8.206 -10.039 1.00 0.00 C ATOM 741 O GLN A 51 -0.637 -7.731 -9.772 1.00 0.00 O ATOM 742 CB GLN A 51 0.549 -9.573 -7.946 1.00 0.00 C ATOM 743 CG GLN A 51 0.011 -10.882 -8.504 1.00 0.00 C ATOM 744 CD GLN A 51 1.046 -11.989 -8.494 1.00 0.00 C ATOM 745 OE1 GLN A 51 1.725 -12.229 -9.493 1.00 0.00 O ATOM 746 NE2 GLN A 51 1.173 -12.672 -7.362 1.00 0.00 N ATOM 0 H GLN A 51 1.530 -7.111 -7.685 1.00 0.00 H new ATOM 0 HA GLN A 51 2.104 -9.435 -9.424 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.163 -9.786 -7.071 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.287 -8.961 -7.608 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.854 -11.194 -7.919 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.335 -10.722 -9.525 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.590 -12.440 -6.558 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.854 -13.429 -7.297 1.00 0.00 H new ATOM 755 N PRO A 52 0.941 -8.253 -11.293 1.00 0.00 N ATOM 756 CA PRO A 52 0.186 -7.748 -12.443 1.00 0.00 C ATOM 757 C PRO A 52 -1.028 -8.612 -12.765 1.00 0.00 C ATOM 758 O PRO A 52 -0.897 -9.800 -13.056 1.00 0.00 O ATOM 759 CB PRO A 52 1.202 -7.805 -13.588 1.00 0.00 C ATOM 760 CG PRO A 52 2.167 -8.867 -13.184 1.00 0.00 C ATOM 761 CD PRO A 52 2.250 -8.804 -11.684 1.00 0.00 C ATOM 0 HA PRO A 52 -0.216 -6.751 -12.260 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.719 -8.048 -14.534 1.00 0.00 H new ATOM 0 HB3 PRO A 52 1.702 -6.846 -13.722 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.828 -9.849 -13.515 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.144 -8.698 -13.636 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.417 -9.789 -11.249 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.070 -8.166 -11.353 1.00 0.00 H new ATOM 769 N GLY A 53 -2.210 -8.006 -12.713 1.00 0.00 N ATOM 770 CA GLY A 53 -3.431 -8.736 -13.001 1.00 0.00 C ATOM 771 C GLY A 53 -4.274 -8.969 -11.763 1.00 0.00 C ATOM 772 O GLY A 53 -4.846 -10.045 -11.586 1.00 0.00 O ATOM 0 H GLY A 53 -2.344 -7.023 -12.477 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.016 -8.183 -13.736 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.179 -9.696 -13.451 1.00 0.00 H new ATOM 776 N SER A 54 -4.350 -7.960 -10.902 1.00 0.00 N ATOM 777 CA SER A 54 -5.124 -8.062 -9.671 1.00 0.00 C ATOM 778 C SER A 54 -6.036 -6.850 -9.501 1.00 0.00 C ATOM 779 O SER A 54 -7.254 -6.989 -9.386 1.00 0.00 O ATOM 780 CB SER A 54 -4.191 -8.185 -8.464 1.00 0.00 C ATOM 781 OG SER A 54 -3.109 -7.274 -8.563 1.00 0.00 O ATOM 0 H SER A 54 -3.885 -7.062 -11.034 1.00 0.00 H new ATOM 0 HA SER A 54 -5.744 -8.956 -9.734 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.749 -7.994 -7.547 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.809 -9.204 -8.398 1.00 0.00 H new ATOM 0 HG SER A 54 -2.371 -7.695 -9.051 1.00 0.00 H new ATOM 787 N ILE A 55 -5.438 -5.664 -9.486 1.00 0.00 N ATOM 788 CA ILE A 55 -6.195 -4.429 -9.332 1.00 0.00 C ATOM 789 C ILE A 55 -6.770 -3.966 -10.666 1.00 0.00 C ATOM 790 O ILE A 55 -6.093 -4.005 -11.693 1.00 0.00 O ATOM 791 CB ILE A 55 -5.324 -3.303 -8.743 1.00 0.00 C ATOM 792 CG1 ILE A 55 -4.597 -3.795 -7.490 1.00 0.00 C ATOM 793 CG2 ILE A 55 -6.177 -2.085 -8.425 1.00 0.00 C ATOM 794 CD1 ILE A 55 -5.518 -4.044 -6.316 1.00 0.00 C ATOM 0 H ILE A 55 -4.431 -5.532 -9.579 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.011 -4.644 -8.642 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.578 -3.015 -9.483 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.066 -4.717 -7.726 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.846 -3.059 -7.203 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.547 -1.298 -8.010 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.652 -1.725 -9.338 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.944 -2.357 -7.699 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.935 -4.391 -5.463 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.031 -3.119 -6.053 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.253 -4.802 -6.585 1.00 0.00 H new ATOM 806 N ASN A 56 -8.025 -3.527 -10.643 1.00 0.00 N ATOM 807 CA ASN A 56 -8.691 -3.055 -11.851 1.00 0.00 C ATOM 808 C ASN A 56 -9.387 -1.720 -11.604 1.00 0.00 C ATOM 809 O ASN A 56 -10.452 -1.668 -10.989 1.00 0.00 O ATOM 810 CB ASN A 56 -9.709 -4.091 -12.336 1.00 0.00 C ATOM 811 CG ASN A 56 -9.890 -4.063 -13.841 1.00 0.00 C ATOM 812 OD1 ASN A 56 -8.954 -4.327 -14.596 1.00 0.00 O ATOM 813 ND2 ASN A 56 -11.100 -3.741 -14.285 1.00 0.00 N ATOM 0 H ASN A 56 -8.600 -3.489 -9.802 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.932 -2.912 -12.621 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.385 -5.086 -12.030 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.669 -3.906 -11.854 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.282 -3.705 -15.288 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.847 -3.530 -13.623 1.00 0.00 H new ATOM 820 N TYR A 57 -8.777 -0.643 -12.085 1.00 0.00 N ATOM 821 CA TYR A 57 -9.336 0.693 -11.914 1.00 0.00 C ATOM 822 C TYR A 57 -10.766 0.757 -12.440 1.00 0.00 C ATOM 823 O TYR A 57 -11.572 1.569 -11.985 1.00 0.00 O ATOM 824 CB TYR A 57 -8.470 1.727 -12.634 1.00 0.00 C ATOM 825 CG TYR A 57 -7.358 2.290 -11.776 1.00 0.00 C ATOM 826 CD1 TYR A 57 -6.698 1.490 -10.850 1.00 0.00 C ATOM 827 CD2 TYR A 57 -6.968 3.618 -11.891 1.00 0.00 C ATOM 828 CE1 TYR A 57 -5.682 1.999 -10.064 1.00 0.00 C ATOM 829 CE2 TYR A 57 -5.953 4.134 -11.110 1.00 0.00 C ATOM 830 CZ TYR A 57 -5.313 3.321 -10.198 1.00 0.00 C ATOM 831 OH TYR A 57 -4.302 3.833 -9.417 1.00 0.00 O ATOM 0 H TYR A 57 -7.895 -0.669 -12.597 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.350 0.919 -10.848 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.035 1.269 -13.523 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.104 2.545 -12.975 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.984 0.454 -10.743 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.467 4.258 -12.603 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.180 1.365 -9.349 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.662 5.169 -11.213 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.166 4.778 -9.637 1.00 0.00 H new ATOM 841 N ASP A 58 -11.075 -0.108 -13.400 1.00 0.00 N ATOM 842 CA ASP A 58 -12.408 -0.153 -13.988 1.00 0.00 C ATOM 843 C ASP A 58 -13.467 -0.398 -12.917 1.00 0.00 C ATOM 844 O ASP A 58 -14.588 0.106 -13.010 1.00 0.00 O ATOM 845 CB ASP A 58 -12.483 -1.247 -15.055 1.00 0.00 C ATOM 846 CG ASP A 58 -13.479 -0.922 -16.150 1.00 0.00 C ATOM 847 OD1 ASP A 58 -14.666 -1.279 -15.998 1.00 0.00 O ATOM 848 OD2 ASP A 58 -13.071 -0.309 -17.159 1.00 0.00 O ATOM 0 H ASP A 58 -10.420 -0.787 -13.787 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.604 0.813 -14.454 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.496 -1.388 -15.496 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.760 -2.190 -14.585 1.00 0.00 H new ATOM 853 N LEU A 59 -13.106 -1.174 -11.902 1.00 0.00 N ATOM 854 CA LEU A 59 -14.025 -1.488 -10.813 1.00 0.00 C ATOM 855 C LEU A 59 -13.874 -0.489 -9.670 1.00 0.00 C ATOM 856 O LEU A 59 -14.848 -0.145 -9.000 1.00 0.00 O ATOM 857 CB LEU A 59 -13.776 -2.908 -10.302 1.00 0.00 C ATOM 858 CG LEU A 59 -13.578 -3.981 -11.373 1.00 0.00 C ATOM 859 CD1 LEU A 59 -13.365 -5.343 -10.729 1.00 0.00 C ATOM 860 CD2 LEU A 59 -14.769 -4.017 -12.319 1.00 0.00 C ATOM 0 H LEU A 59 -12.183 -1.598 -11.810 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.043 -1.421 -11.198 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.893 -2.893 -9.663 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.618 -3.200 -9.675 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.688 -3.731 -11.951 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -13.226 -6.095 -11.506 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.481 -5.310 -10.093 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.236 -5.601 -10.126 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.610 -4.787 -13.075 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.674 -4.243 -11.756 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -14.877 -3.048 -12.806 1.00 0.00 H new ATOM 872 N LEU A 60 -12.647 -0.026 -9.453 1.00 0.00 N ATOM 873 CA LEU A 60 -12.369 0.935 -8.392 1.00 0.00 C ATOM 874 C LEU A 60 -13.135 2.235 -8.620 1.00 0.00 C ATOM 875 O LEU A 60 -13.823 2.394 -9.629 1.00 0.00 O ATOM 876 CB LEU A 60 -10.868 1.221 -8.317 1.00 0.00 C ATOM 877 CG LEU A 60 -9.958 -0.002 -8.190 1.00 0.00 C ATOM 878 CD1 LEU A 60 -8.500 0.425 -8.109 1.00 0.00 C ATOM 879 CD2 LEU A 60 -10.342 -0.829 -6.973 1.00 0.00 C ATOM 0 H LEU A 60 -11.830 -0.301 -9.998 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.698 0.502 -7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.578 1.773 -9.211 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.685 1.875 -7.465 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.086 -0.620 -9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.867 -0.458 -8.019 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.231 0.974 -9.011 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.356 1.065 -7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.684 -1.695 -6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.244 -0.221 -6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.374 -1.165 -7.073 1.00 0.00 H new ATOM 891 N LYS A 61 -13.009 3.162 -7.678 1.00 0.00 N ATOM 892 CA LYS A 61 -13.686 4.450 -7.774 1.00 0.00 C ATOM 893 C LYS A 61 -12.684 5.573 -8.023 1.00 0.00 C ATOM 894 O LYS A 61 -12.740 6.254 -9.048 1.00 0.00 O ATOM 895 CB LYS A 61 -14.477 4.731 -6.495 1.00 0.00 C ATOM 896 CG LYS A 61 -15.864 4.110 -6.489 1.00 0.00 C ATOM 897 CD LYS A 61 -15.802 2.615 -6.221 1.00 0.00 C ATOM 898 CE LYS A 61 -15.370 2.322 -4.792 1.00 0.00 C ATOM 899 NZ LYS A 61 -15.560 0.888 -4.438 1.00 0.00 N ATOM 0 H LYS A 61 -12.443 3.046 -6.837 1.00 0.00 H new ATOM 0 HA LYS A 61 -14.376 4.408 -8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.915 4.354 -5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.570 5.809 -6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.477 4.592 -5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.349 4.289 -7.449 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -16.780 2.171 -6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.104 2.148 -6.916 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.321 2.591 -4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.943 2.945 -4.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.018 0.668 -3.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.569 0.703 -4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.226 0.290 -5.221 1.00 0.00 H new ATOM 913 N THR A 62 -11.767 5.761 -7.080 1.00 0.00 N ATOM 914 CA THR A 62 -10.753 6.802 -7.197 1.00 0.00 C ATOM 915 C THR A 62 -11.354 8.100 -7.723 1.00 0.00 C ATOM 916 O THR A 62 -10.672 8.893 -8.372 1.00 0.00 O ATOM 917 CB THR A 62 -9.606 6.366 -8.128 1.00 0.00 C ATOM 918 OG1 THR A 62 -8.602 7.387 -8.181 1.00 0.00 O ATOM 919 CG2 THR A 62 -10.124 6.085 -9.531 1.00 0.00 C ATOM 0 H THR A 62 -11.705 5.206 -6.226 1.00 0.00 H new ATOM 0 HA THR A 62 -10.356 6.969 -6.196 1.00 0.00 H new ATOM 0 HB THR A 62 -9.172 5.450 -7.728 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.031 8.264 -8.269 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.296 5.779 -10.170 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.866 5.288 -9.492 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.582 6.987 -9.937 1.00 0.00 H new ATOM 927 N GLU A 63 -12.636 8.310 -7.440 1.00 0.00 N ATOM 928 CA GLU A 63 -13.329 9.513 -7.886 1.00 0.00 C ATOM 929 C GLU A 63 -14.139 10.128 -6.748 1.00 0.00 C ATOM 930 O GLU A 63 -15.056 9.504 -6.218 1.00 0.00 O ATOM 931 CB GLU A 63 -14.249 9.191 -9.065 1.00 0.00 C ATOM 932 CG GLU A 63 -15.563 8.548 -8.654 1.00 0.00 C ATOM 933 CD GLU A 63 -16.315 7.954 -9.829 1.00 0.00 C ATOM 934 OE1 GLU A 63 -15.802 6.990 -10.436 1.00 0.00 O ATOM 935 OE2 GLU A 63 -17.415 8.453 -10.143 1.00 0.00 O ATOM 0 H GLU A 63 -13.215 7.663 -6.904 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.579 10.236 -8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.459 10.110 -9.612 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.727 8.524 -9.751 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.367 7.766 -7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -16.191 9.293 -8.165 1.00 0.00 H new ATOM 942 N ASN A 64 -13.790 11.356 -6.379 1.00 0.00 N ATOM 943 CA ASN A 64 -14.483 12.056 -5.304 1.00 0.00 C ATOM 944 C ASN A 64 -14.889 11.088 -4.197 1.00 0.00 C ATOM 945 O ASN A 64 -15.975 11.199 -3.626 1.00 0.00 O ATOM 946 CB ASN A 64 -15.721 12.773 -5.848 1.00 0.00 C ATOM 947 CG ASN A 64 -15.482 13.380 -7.218 1.00 0.00 C ATOM 948 OD1 ASN A 64 -15.260 14.584 -7.345 1.00 0.00 O ATOM 949 ND2 ASN A 64 -15.526 12.545 -8.249 1.00 0.00 N ATOM 0 H ASN A 64 -13.032 11.887 -6.808 1.00 0.00 H new ATOM 0 HA ASN A 64 -13.798 12.794 -4.885 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.550 12.068 -5.906 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -16.018 13.558 -5.152 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.372 12.894 -9.195 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.713 11.554 -8.095 1.00 0.00 H new ATOM 956 N LEU A 65 -14.009 10.139 -3.898 1.00 0.00 N ATOM 957 CA LEU A 65 -14.275 9.150 -2.859 1.00 0.00 C ATOM 958 C LEU A 65 -14.832 9.815 -1.604 1.00 0.00 C ATOM 959 O LEU A 65 -14.669 11.017 -1.402 1.00 0.00 O ATOM 960 CB LEU A 65 -12.995 8.384 -2.517 1.00 0.00 C ATOM 961 CG LEU A 65 -12.554 7.329 -3.532 1.00 0.00 C ATOM 962 CD1 LEU A 65 -11.044 7.152 -3.496 1.00 0.00 C ATOM 963 CD2 LEU A 65 -13.254 6.004 -3.263 1.00 0.00 C ATOM 0 H LEU A 65 -13.106 10.033 -4.360 1.00 0.00 H new ATOM 0 HA LEU A 65 -15.020 8.451 -3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.186 9.104 -2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.134 7.896 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.836 7.671 -4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.749 6.397 -4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.561 8.099 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.739 6.833 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.928 5.265 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -13.003 5.657 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.333 6.140 -3.341 1.00 0.00 H new ATOM 975 N ASN A 66 -15.490 9.022 -0.763 1.00 0.00 N ATOM 976 CA ASN A 66 -16.070 9.534 0.473 1.00 0.00 C ATOM 977 C ASN A 66 -16.089 8.457 1.552 1.00 0.00 C ATOM 978 O ASN A 66 -15.734 7.305 1.300 1.00 0.00 O ATOM 979 CB ASN A 66 -17.491 10.044 0.221 1.00 0.00 C ATOM 980 CG ASN A 66 -18.488 8.914 0.047 1.00 0.00 C ATOM 981 OD1 ASN A 66 -19.280 8.626 0.944 1.00 0.00 O ATOM 982 ND2 ASN A 66 -18.452 8.268 -1.113 1.00 0.00 N ATOM 0 H ASN A 66 -15.634 8.024 -0.915 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.450 10.361 0.821 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -17.801 10.674 1.055 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.497 10.671 -0.671 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -19.098 7.499 -1.289 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.778 8.541 -1.828 1.00 0.00 H new ATOM 989 N ASP A 67 -16.505 8.837 2.755 1.00 0.00 N ATOM 990 CA ASP A 67 -16.571 7.904 3.873 1.00 0.00 C ATOM 991 C ASP A 67 -17.215 6.589 3.445 1.00 0.00 C ATOM 992 O ASP A 67 -16.976 5.544 4.050 1.00 0.00 O ATOM 993 CB ASP A 67 -17.360 8.518 5.032 1.00 0.00 C ATOM 994 CG ASP A 67 -16.894 8.008 6.382 1.00 0.00 C ATOM 995 OD1 ASP A 67 -16.751 6.777 6.533 1.00 0.00 O ATOM 996 OD2 ASP A 67 -16.676 8.840 7.287 1.00 0.00 O ATOM 0 H ASP A 67 -16.802 9.786 2.981 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.553 7.700 4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -17.260 9.603 5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -18.419 8.292 4.907 1.00 0.00 H new ATOM 1001 N ASP A 68 -18.032 6.649 2.399 1.00 0.00 N ATOM 1002 CA ASP A 68 -18.710 5.462 1.889 1.00 0.00 C ATOM 1003 C ASP A 68 -17.811 4.693 0.927 1.00 0.00 C ATOM 1004 O ASP A 68 -17.444 3.547 1.187 1.00 0.00 O ATOM 1005 CB ASP A 68 -20.011 5.854 1.188 1.00 0.00 C ATOM 1006 CG ASP A 68 -21.069 4.774 1.285 1.00 0.00 C ATOM 1007 OD1 ASP A 68 -21.090 3.883 0.410 1.00 0.00 O ATOM 1008 OD2 ASP A 68 -21.879 4.819 2.236 1.00 0.00 O ATOM 0 H ASP A 68 -18.241 7.506 1.888 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.943 4.815 2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.394 6.775 1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.806 6.064 0.138 1.00 0.00 H new ATOM 1013 N GLU A 69 -17.458 5.332 -0.185 1.00 0.00 N ATOM 1014 CA GLU A 69 -16.603 4.706 -1.186 1.00 0.00 C ATOM 1015 C GLU A 69 -15.234 4.372 -0.600 1.00 0.00 C ATOM 1016 O GLU A 69 -14.778 3.230 -0.668 1.00 0.00 O ATOM 1017 CB GLU A 69 -16.440 5.627 -2.397 1.00 0.00 C ATOM 1018 CG GLU A 69 -17.754 5.979 -3.074 1.00 0.00 C ATOM 1019 CD GLU A 69 -18.185 4.938 -4.089 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -17.982 3.735 -3.826 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -18.725 5.327 -5.145 1.00 0.00 O ATOM 0 H GLU A 69 -17.751 6.282 -0.414 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.079 3.779 -1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.946 6.546 -2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.784 5.146 -3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -18.531 6.086 -2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.656 6.945 -3.569 1.00 0.00 H new ATOM 1028 N LYS A 70 -14.582 5.376 -0.025 1.00 0.00 N ATOM 1029 CA LYS A 70 -13.266 5.191 0.575 1.00 0.00 C ATOM 1030 C LYS A 70 -13.190 3.865 1.324 1.00 0.00 C ATOM 1031 O LYS A 70 -12.239 3.100 1.160 1.00 0.00 O ATOM 1032 CB LYS A 70 -12.949 6.346 1.528 1.00 0.00 C ATOM 1033 CG LYS A 70 -12.859 7.696 0.838 1.00 0.00 C ATOM 1034 CD LYS A 70 -12.567 8.810 1.829 1.00 0.00 C ATOM 1035 CE LYS A 70 -12.029 10.050 1.131 1.00 0.00 C ATOM 1036 NZ LYS A 70 -12.089 11.250 2.010 1.00 0.00 N ATOM 0 H LYS A 70 -14.944 6.328 0.038 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.528 5.177 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.718 6.392 2.299 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.005 6.141 2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.076 7.667 0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.795 7.904 0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.477 9.063 2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.843 8.463 2.566 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.998 9.876 0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.604 10.235 0.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.714 12.074 1.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.076 11.432 2.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.519 11.084 2.864 1.00 0.00 H new ATOM 1050 N LEU A 71 -14.200 3.596 2.145 1.00 0.00 N ATOM 1051 CA LEU A 71 -14.249 2.361 2.919 1.00 0.00 C ATOM 1052 C LEU A 71 -14.112 1.143 2.011 1.00 0.00 C ATOM 1053 O LEU A 71 -13.211 0.323 2.188 1.00 0.00 O ATOM 1054 CB LEU A 71 -15.559 2.280 3.705 1.00 0.00 C ATOM 1055 CG LEU A 71 -15.878 0.925 4.340 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -14.854 0.584 5.411 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -17.283 0.928 4.924 1.00 0.00 C ATOM 0 H LEU A 71 -14.996 4.217 2.291 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.412 2.366 3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -15.533 3.032 4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -16.378 2.547 3.037 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.830 0.161 3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.097 -0.383 5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.861 0.540 4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.869 1.350 6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -17.493 -0.043 5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -17.358 1.703 5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -18.006 1.127 4.133 1.00 0.00 H new ATOM 1069 N ASN A 72 -15.009 1.034 1.037 1.00 0.00 N ATOM 1070 CA ASN A 72 -14.988 -0.082 0.099 1.00 0.00 C ATOM 1071 C ASN A 72 -13.587 -0.287 -0.471 1.00 0.00 C ATOM 1072 O ASN A 72 -13.144 -1.418 -0.666 1.00 0.00 O ATOM 1073 CB ASN A 72 -15.982 0.160 -1.038 1.00 0.00 C ATOM 1074 CG ASN A 72 -17.409 0.284 -0.541 1.00 0.00 C ATOM 1075 OD1 ASN A 72 -18.170 -0.684 -0.554 1.00 0.00 O ATOM 1076 ND2 ASN A 72 -17.779 1.480 -0.099 1.00 0.00 N ATOM 0 H ASN A 72 -15.760 1.705 0.877 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.278 -0.983 0.640 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.706 1.070 -1.571 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.919 -0.660 -1.753 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -18.727 1.625 0.248 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.115 2.254 -0.107 1.00 0.00 H new ATOM 1083 N ASN A 73 -12.894 0.817 -0.734 1.00 0.00 N ATOM 1084 CA ASN A 73 -11.543 0.758 -1.281 1.00 0.00 C ATOM 1085 C ASN A 73 -10.558 0.233 -0.242 1.00 0.00 C ATOM 1086 O ASN A 73 -9.646 -0.527 -0.565 1.00 0.00 O ATOM 1087 CB ASN A 73 -11.106 2.143 -1.763 1.00 0.00 C ATOM 1088 CG ASN A 73 -11.546 2.426 -3.186 1.00 0.00 C ATOM 1089 OD1 ASN A 73 -12.254 1.627 -3.799 1.00 0.00 O ATOM 1090 ND2 ASN A 73 -11.128 3.568 -3.719 1.00 0.00 N ATOM 0 H ASN A 73 -13.245 1.762 -0.577 1.00 0.00 H new ATOM 0 HA ASN A 73 -11.549 0.071 -2.128 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.520 2.903 -1.100 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.021 2.221 -1.699 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.393 3.812 -4.673 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.542 4.201 -3.174 1.00 0.00 H new ATOM 1097 N ALA A 74 -10.748 0.647 1.007 1.00 0.00 N ATOM 1098 CA ALA A 74 -9.878 0.217 2.094 1.00 0.00 C ATOM 1099 C ALA A 74 -9.977 -1.289 2.315 1.00 0.00 C ATOM 1100 O ALA A 74 -8.966 -1.968 2.497 1.00 0.00 O ATOM 1101 CB ALA A 74 -10.225 0.964 3.375 1.00 0.00 C ATOM 0 H ALA A 74 -11.496 1.279 1.290 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.850 0.450 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.567 0.633 4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.096 2.035 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.261 0.760 3.646 1.00 0.00 H new ATOM 1107 N LYS A 75 -11.201 -1.805 2.298 1.00 0.00 N ATOM 1108 CA LYS A 75 -11.433 -3.231 2.495 1.00 0.00 C ATOM 1109 C LYS A 75 -10.821 -4.044 1.360 1.00 0.00 C ATOM 1110 O LYS A 75 -10.281 -5.129 1.580 1.00 0.00 O ATOM 1111 CB LYS A 75 -12.934 -3.516 2.589 1.00 0.00 C ATOM 1112 CG LYS A 75 -13.636 -2.726 3.679 1.00 0.00 C ATOM 1113 CD LYS A 75 -15.099 -3.118 3.799 1.00 0.00 C ATOM 1114 CE LYS A 75 -15.896 -2.681 2.580 1.00 0.00 C ATOM 1115 NZ LYS A 75 -17.271 -3.252 2.583 1.00 0.00 N ATOM 0 H LYS A 75 -12.048 -1.257 2.150 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.954 -3.526 3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.399 -3.288 1.630 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.082 -4.580 2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.134 -2.894 4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.561 -1.660 3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.178 -4.199 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.525 -2.666 4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.955 -1.593 2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.375 -2.993 1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.782 -2.931 1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.216 -4.291 2.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.777 -2.934 3.434 1.00 0.00 H new ATOM 1129 N TYR A 76 -10.906 -3.513 0.145 1.00 0.00 N ATOM 1130 CA TYR A 76 -10.361 -4.191 -1.026 1.00 0.00 C ATOM 1131 C TYR A 76 -8.837 -4.243 -0.963 1.00 0.00 C ATOM 1132 O TYR A 76 -8.224 -5.242 -1.339 1.00 0.00 O ATOM 1133 CB TYR A 76 -10.807 -3.481 -2.305 1.00 0.00 C ATOM 1134 CG TYR A 76 -10.681 -4.335 -3.546 1.00 0.00 C ATOM 1135 CD1 TYR A 76 -11.490 -5.450 -3.731 1.00 0.00 C ATOM 1136 CD2 TYR A 76 -9.753 -4.028 -4.534 1.00 0.00 C ATOM 1137 CE1 TYR A 76 -11.378 -6.234 -4.862 1.00 0.00 C ATOM 1138 CE2 TYR A 76 -9.636 -4.805 -5.670 1.00 0.00 C ATOM 1139 CZ TYR A 76 -10.450 -5.908 -5.830 1.00 0.00 C ATOM 1140 OH TYR A 76 -10.335 -6.685 -6.960 1.00 0.00 O ATOM 0 H TYR A 76 -11.347 -2.615 -0.055 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.741 -5.212 -1.035 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.845 -3.167 -2.194 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.213 -2.576 -2.435 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.219 -5.708 -2.977 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.112 -3.167 -4.411 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -12.013 -7.098 -4.988 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.911 -4.551 -6.429 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.636 -6.317 -7.540 1.00 0.00 H new ATOM 1150 N ALA A 77 -8.233 -3.160 -0.486 1.00 0.00 N ATOM 1151 CA ALA A 77 -6.783 -3.083 -0.372 1.00 0.00 C ATOM 1152 C ALA A 77 -6.248 -4.150 0.577 1.00 0.00 C ATOM 1153 O ALA A 77 -5.434 -4.988 0.188 1.00 0.00 O ATOM 1154 CB ALA A 77 -6.363 -1.698 0.098 1.00 0.00 C ATOM 0 H ALA A 77 -8.726 -2.324 -0.172 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.357 -3.265 -1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.277 -1.655 0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.703 -0.952 -0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.808 -1.494 1.072 1.00 0.00 H new ATOM 1160 N ILE A 78 -6.712 -4.113 1.822 1.00 0.00 N ATOM 1161 CA ILE A 78 -6.280 -5.079 2.826 1.00 0.00 C ATOM 1162 C ILE A 78 -6.633 -6.502 2.407 1.00 0.00 C ATOM 1163 O ILE A 78 -5.887 -7.443 2.679 1.00 0.00 O ATOM 1164 CB ILE A 78 -6.916 -4.785 4.197 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -6.501 -3.398 4.691 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -6.516 -5.853 5.205 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -7.260 -2.941 5.918 1.00 0.00 C ATOM 0 H ILE A 78 -7.386 -3.426 2.159 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.197 -4.987 2.910 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.000 -4.801 4.089 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.434 -3.405 4.915 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.653 -2.675 3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.973 -5.632 6.170 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.857 -6.828 4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.431 -5.865 5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.914 -1.950 6.212 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.326 -2.901 5.693 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.088 -3.642 6.734 1.00 0.00 H new ATOM 1179 N SER A 79 -7.775 -6.651 1.744 1.00 0.00 N ATOM 1180 CA SER A 79 -8.229 -7.960 1.289 1.00 0.00 C ATOM 1181 C SER A 79 -7.263 -8.543 0.261 1.00 0.00 C ATOM 1182 O SER A 79 -6.926 -9.726 0.309 1.00 0.00 O ATOM 1183 CB SER A 79 -9.631 -7.857 0.687 1.00 0.00 C ATOM 1184 OG SER A 79 -10.627 -8.039 1.680 1.00 0.00 O ATOM 0 H SER A 79 -8.403 -5.882 1.510 1.00 0.00 H new ATOM 0 HA SER A 79 -8.260 -8.626 2.151 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.757 -6.882 0.215 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.751 -8.607 -0.095 1.00 0.00 H new ATOM 0 HG SER A 79 -10.911 -7.166 2.022 1.00 0.00 H new ATOM 1190 N MET A 80 -6.823 -7.702 -0.671 1.00 0.00 N ATOM 1191 CA MET A 80 -5.896 -8.133 -1.711 1.00 0.00 C ATOM 1192 C MET A 80 -4.590 -8.633 -1.102 1.00 0.00 C ATOM 1193 O MET A 80 -4.137 -9.737 -1.402 1.00 0.00 O ATOM 1194 CB MET A 80 -5.613 -6.983 -2.679 1.00 0.00 C ATOM 1195 CG MET A 80 -5.159 -7.444 -4.055 1.00 0.00 C ATOM 1196 SD MET A 80 -6.333 -8.570 -4.832 1.00 0.00 S ATOM 1197 CE MET A 80 -7.199 -7.450 -5.929 1.00 0.00 C ATOM 0 H MET A 80 -7.093 -6.720 -0.727 1.00 0.00 H new ATOM 0 HA MET A 80 -6.359 -8.954 -2.258 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.514 -6.379 -2.786 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.846 -6.338 -2.250 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.016 -6.574 -4.697 1.00 0.00 H new ATOM 0 HG3 MET A 80 -4.191 -7.938 -3.968 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.050 -7.964 -6.376 1.00 0.00 H new ATOM 0 HE2 MET A 80 -7.552 -6.587 -5.364 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.523 -7.116 -6.716 1.00 0.00 H new ATOM 1207 N ALA A 81 -3.990 -7.814 -0.245 1.00 0.00 N ATOM 1208 CA ALA A 81 -2.737 -8.175 0.407 1.00 0.00 C ATOM 1209 C ALA A 81 -2.717 -9.654 0.779 1.00 0.00 C ATOM 1210 O ALA A 81 -1.854 -10.406 0.326 1.00 0.00 O ATOM 1211 CB ALA A 81 -2.519 -7.315 1.643 1.00 0.00 C ATOM 0 H ALA A 81 -4.351 -6.896 0.014 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.925 -7.994 -0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.580 -7.595 2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.480 -6.265 1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.341 -7.468 2.342 1.00 0.00 H new ATOM 1217 N ARG A 82 -3.673 -10.063 1.606 1.00 0.00 N ATOM 1218 CA ARG A 82 -3.764 -11.452 2.040 1.00 0.00 C ATOM 1219 C ARG A 82 -3.981 -12.381 0.849 1.00 0.00 C ATOM 1220 O ARG A 82 -3.391 -13.458 0.772 1.00 0.00 O ATOM 1221 CB ARG A 82 -4.905 -11.620 3.046 1.00 0.00 C ATOM 1222 CG ARG A 82 -4.703 -12.781 4.006 1.00 0.00 C ATOM 1223 CD ARG A 82 -5.538 -12.614 5.266 1.00 0.00 C ATOM 1224 NE ARG A 82 -5.150 -13.560 6.309 1.00 0.00 N ATOM 1225 CZ ARG A 82 -5.625 -13.521 7.549 1.00 0.00 C ATOM 1226 NH1 ARG A 82 -6.499 -12.588 7.899 1.00 0.00 N ATOM 1227 NH2 ARG A 82 -5.224 -14.417 8.443 1.00 0.00 N ATOM 0 H ARG A 82 -4.395 -9.453 1.989 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.823 -11.719 2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.011 -10.699 3.620 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.839 -11.767 2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.972 -13.714 3.511 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.649 -12.854 4.274 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.429 -11.596 5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.592 -12.753 5.024 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.478 -14.290 6.073 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.809 -11.897 7.215 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.862 -12.561 8.852 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.551 -15.136 8.178 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.589 -14.386 9.395 1.00 0.00 H new ATOM 1241 N LYS A 83 -4.833 -11.956 -0.078 1.00 0.00 N ATOM 1242 CA LYS A 83 -5.128 -12.748 -1.267 1.00 0.00 C ATOM 1243 C LYS A 83 -3.846 -13.117 -2.008 1.00 0.00 C ATOM 1244 O LYS A 83 -3.598 -14.288 -2.292 1.00 0.00 O ATOM 1245 CB LYS A 83 -6.065 -11.976 -2.199 1.00 0.00 C ATOM 1246 CG LYS A 83 -6.907 -12.871 -3.091 1.00 0.00 C ATOM 1247 CD LYS A 83 -7.999 -13.575 -2.304 1.00 0.00 C ATOM 1248 CE LYS A 83 -9.023 -14.219 -3.225 1.00 0.00 C ATOM 1249 NZ LYS A 83 -10.248 -14.637 -2.486 1.00 0.00 N ATOM 0 H LYS A 83 -5.332 -11.067 -0.029 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.619 -13.667 -0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.726 -11.350 -1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.473 -11.308 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.356 -12.275 -3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.268 -13.612 -3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.554 -14.337 -1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.496 -12.859 -1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.296 -13.517 -4.013 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.579 -15.087 -3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.922 -15.072 -3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.992 -15.327 -1.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.687 -13.805 -2.042 1.00 0.00 H new ATOM 1263 N ILE A 84 -3.036 -12.109 -2.315 1.00 0.00 N ATOM 1264 CA ILE A 84 -1.779 -12.329 -3.020 1.00 0.00 C ATOM 1265 C ILE A 84 -0.741 -12.971 -2.105 1.00 0.00 C ATOM 1266 O ILE A 84 0.208 -13.599 -2.571 1.00 0.00 O ATOM 1267 CB ILE A 84 -1.209 -11.013 -3.579 1.00 0.00 C ATOM 1268 CG1 ILE A 84 -1.046 -9.984 -2.458 1.00 0.00 C ATOM 1269 CG2 ILE A 84 -2.112 -10.469 -4.676 1.00 0.00 C ATOM 1270 CD1 ILE A 84 -0.252 -8.765 -2.868 1.00 0.00 C ATOM 0 H ILE A 84 -3.227 -11.133 -2.087 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.996 -13.002 -3.849 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.227 -11.213 -4.008 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.033 -9.668 -2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.555 -10.459 -1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.696 -9.538 -5.062 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.182 -11.197 -5.484 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.106 -10.281 -4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.177 -8.079 -2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.748 -9.069 -3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.753 -8.266 -3.697 1.00 0.00 H new ATOM 1282 N GLY A 85 -0.930 -12.811 -0.800 1.00 0.00 N ATOM 1283 CA GLY A 85 -0.004 -13.382 0.160 1.00 0.00 C ATOM 1284 C GLY A 85 0.482 -12.364 1.173 1.00 0.00 C ATOM 1285 O GLY A 85 1.427 -11.621 0.911 1.00 0.00 O ATOM 0 H GLY A 85 -1.709 -12.296 -0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.489 -14.206 0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.852 -13.800 -0.370 1.00 0.00 H new ATOM 1289 N ALA A 86 -0.167 -12.328 2.332 1.00 0.00 N ATOM 1290 CA ALA A 86 0.205 -11.394 3.388 1.00 0.00 C ATOM 1291 C ALA A 86 -0.589 -11.661 4.662 1.00 0.00 C ATOM 1292 O ALA A 86 -1.502 -12.486 4.674 1.00 0.00 O ATOM 1293 CB ALA A 86 -0.005 -9.961 2.922 1.00 0.00 C ATOM 0 H ALA A 86 -0.953 -12.935 2.564 1.00 0.00 H new ATOM 0 HA ALA A 86 1.261 -11.540 3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.277 -9.274 3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.612 -9.770 2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.054 -9.811 2.668 1.00 0.00 H new ATOM 1299 N ARG A 87 -0.233 -10.958 5.733 1.00 0.00 N ATOM 1300 CA ARG A 87 -0.912 -11.121 7.013 1.00 0.00 C ATOM 1301 C ARG A 87 -0.583 -9.966 7.954 1.00 0.00 C ATOM 1302 O ARG A 87 0.565 -9.798 8.370 1.00 0.00 O ATOM 1303 CB ARG A 87 -0.514 -12.449 7.659 1.00 0.00 C ATOM 1304 CG ARG A 87 0.948 -12.514 8.068 1.00 0.00 C ATOM 1305 CD ARG A 87 1.435 -13.951 8.168 1.00 0.00 C ATOM 1306 NE ARG A 87 2.851 -14.025 8.517 1.00 0.00 N ATOM 1307 CZ ARG A 87 3.413 -15.088 9.084 1.00 0.00 C ATOM 1308 NH1 ARG A 87 2.684 -16.158 9.363 1.00 0.00 N ATOM 1309 NH2 ARG A 87 4.709 -15.080 9.371 1.00 0.00 N ATOM 0 H ARG A 87 0.521 -10.271 5.739 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.986 -11.122 6.829 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.136 -12.616 8.538 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.724 -13.260 6.961 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.555 -11.973 7.342 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.081 -12.016 9.028 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.848 -14.481 8.918 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.269 -14.457 7.217 1.00 0.00 H new ATOM 0 HE ARG A 87 3.441 -13.218 8.315 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.688 -16.168 9.143 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.118 -16.972 9.798 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.274 -14.258 9.157 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.140 -15.896 9.806 1.00 0.00 H new ATOM 1323 N VAL A 88 -1.595 -9.172 8.286 1.00 0.00 N ATOM 1324 CA VAL A 88 -1.413 -8.033 9.177 1.00 0.00 C ATOM 1325 C VAL A 88 -2.593 -7.890 10.133 1.00 0.00 C ATOM 1326 O VAL A 88 -3.518 -8.701 10.119 1.00 0.00 O ATOM 1327 CB VAL A 88 -1.245 -6.722 8.386 1.00 0.00 C ATOM 1328 CG1 VAL A 88 0.110 -6.686 7.694 1.00 0.00 C ATOM 1329 CG2 VAL A 88 -2.373 -6.559 7.379 1.00 0.00 C ATOM 0 H VAL A 88 -2.550 -9.297 7.951 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.505 -8.221 9.750 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.291 -5.887 9.085 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.211 -5.753 7.140 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.902 -6.752 8.440 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.189 -7.527 7.005 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.238 -5.628 6.829 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.362 -7.397 6.682 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.328 -6.536 7.903 1.00 0.00 H new ATOM 1339 N TYR A 89 -2.553 -6.851 10.961 1.00 0.00 N ATOM 1340 CA TYR A 89 -3.618 -6.601 11.925 1.00 0.00 C ATOM 1341 C TYR A 89 -4.222 -5.215 11.723 1.00 0.00 C ATOM 1342 O TYR A 89 -4.736 -4.606 12.662 1.00 0.00 O ATOM 1343 CB TYR A 89 -3.085 -6.735 13.352 1.00 0.00 C ATOM 1344 CG TYR A 89 -4.159 -7.022 14.376 1.00 0.00 C ATOM 1345 CD1 TYR A 89 -4.564 -8.324 14.642 1.00 0.00 C ATOM 1346 CD2 TYR A 89 -4.770 -5.991 15.078 1.00 0.00 C ATOM 1347 CE1 TYR A 89 -5.546 -8.591 15.576 1.00 0.00 C ATOM 1348 CE2 TYR A 89 -5.753 -6.248 16.015 1.00 0.00 C ATOM 1349 CZ TYR A 89 -6.137 -7.550 16.260 1.00 0.00 C ATOM 1350 OH TYR A 89 -7.115 -7.811 17.193 1.00 0.00 O ATOM 0 H TYR A 89 -1.795 -6.169 10.984 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.399 -7.344 11.765 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.345 -7.535 13.381 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -2.570 -5.814 13.626 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.103 -9.142 14.109 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.472 -4.970 14.888 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.849 -9.609 15.769 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.218 -5.434 16.552 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.427 -6.968 17.585 1.00 0.00 H new ATOM 1360 N ALA A 90 -4.155 -4.722 10.491 1.00 0.00 N ATOM 1361 CA ALA A 90 -4.697 -3.408 10.164 1.00 0.00 C ATOM 1362 C ALA A 90 -6.219 -3.446 10.084 1.00 0.00 C ATOM 1363 O ALA A 90 -6.838 -4.482 10.333 1.00 0.00 O ATOM 1364 CB ALA A 90 -4.110 -2.907 8.852 1.00 0.00 C ATOM 0 H ALA A 90 -3.731 -5.212 9.703 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.419 -2.719 10.961 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.523 -1.925 8.620 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.026 -2.832 8.943 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.360 -3.604 8.052 1.00 0.00 H new ATOM 1370 N LEU A 91 -6.817 -2.312 9.738 1.00 0.00 N ATOM 1371 CA LEU A 91 -8.269 -2.215 9.627 1.00 0.00 C ATOM 1372 C LEU A 91 -8.666 -1.238 8.524 1.00 0.00 C ATOM 1373 O LEU A 91 -8.132 -0.134 8.417 1.00 0.00 O ATOM 1374 CB LEU A 91 -8.874 -1.772 10.960 1.00 0.00 C ATOM 1375 CG LEU A 91 -10.380 -1.982 11.115 1.00 0.00 C ATOM 1376 CD1 LEU A 91 -10.682 -3.427 11.480 1.00 0.00 C ATOM 1377 CD2 LEU A 91 -10.945 -1.037 12.166 1.00 0.00 C ATOM 0 H LEU A 91 -6.320 -1.446 9.529 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.656 -3.201 9.370 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.368 -2.309 11.762 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.659 -0.713 11.100 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.858 -1.761 10.161 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.759 -3.558 11.586 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.312 -4.086 10.694 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.192 -3.675 12.422 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.018 -1.201 12.263 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.461 -1.227 13.124 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.761 -0.006 11.865 1.00 0.00 H new ATOM 1389 N PRO A 92 -9.628 -1.651 7.686 1.00 0.00 N ATOM 1390 CA PRO A 92 -10.121 -0.826 6.579 1.00 0.00 C ATOM 1391 C PRO A 92 -10.924 0.375 7.064 1.00 0.00 C ATOM 1392 O PRO A 92 -10.859 1.455 6.477 1.00 0.00 O ATOM 1393 CB PRO A 92 -11.017 -1.786 5.793 1.00 0.00 C ATOM 1394 CG PRO A 92 -11.455 -2.800 6.793 1.00 0.00 C ATOM 1395 CD PRO A 92 -10.309 -2.955 7.755 1.00 0.00 C ATOM 0 HA PRO A 92 -9.306 -0.404 5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.870 -1.265 5.358 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.474 -2.250 4.970 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.357 -2.474 7.310 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.690 -3.748 6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.658 -3.173 8.764 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.647 -3.770 7.463 1.00 0.00 H new ATOM 1403 N GLU A 93 -11.680 0.181 8.140 1.00 0.00 N ATOM 1404 CA GLU A 93 -12.496 1.251 8.704 1.00 0.00 C ATOM 1405 C GLU A 93 -11.627 2.430 9.131 1.00 0.00 C ATOM 1406 O GLU A 93 -12.041 3.586 9.038 1.00 0.00 O ATOM 1407 CB GLU A 93 -13.299 0.733 9.900 1.00 0.00 C ATOM 1408 CG GLU A 93 -14.469 -0.153 9.510 1.00 0.00 C ATOM 1409 CD GLU A 93 -14.043 -1.568 9.175 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -13.314 -2.177 9.987 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -14.439 -2.068 8.101 1.00 0.00 O ATOM 0 H GLU A 93 -11.745 -0.706 8.639 1.00 0.00 H new ATOM 0 HA GLU A 93 -13.187 1.593 7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.634 0.174 10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.672 1.583 10.472 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -15.189 -0.178 10.328 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.979 0.282 8.650 1.00 0.00 H new ATOM 1418 N ASP A 94 -10.421 2.129 9.601 1.00 0.00 N ATOM 1419 CA ASP A 94 -9.493 3.164 10.042 1.00 0.00 C ATOM 1420 C ASP A 94 -8.679 3.700 8.869 1.00 0.00 C ATOM 1421 O ASP A 94 -8.395 4.897 8.792 1.00 0.00 O ATOM 1422 CB ASP A 94 -8.557 2.612 11.119 1.00 0.00 C ATOM 1423 CG ASP A 94 -9.189 2.622 12.497 1.00 0.00 C ATOM 1424 OD1 ASP A 94 -10.299 2.068 12.643 1.00 0.00 O ATOM 1425 OD2 ASP A 94 -8.576 3.185 13.427 1.00 0.00 O ATOM 0 H ASP A 94 -10.064 1.178 9.686 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.074 3.985 10.462 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.272 1.592 10.861 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.642 3.203 11.138 1.00 0.00 H new ATOM 1430 N LEU A 95 -8.306 2.808 7.958 1.00 0.00 N ATOM 1431 CA LEU A 95 -7.523 3.192 6.788 1.00 0.00 C ATOM 1432 C LEU A 95 -8.142 4.400 6.091 1.00 0.00 C ATOM 1433 O LEU A 95 -7.432 5.297 5.634 1.00 0.00 O ATOM 1434 CB LEU A 95 -7.424 2.020 5.809 1.00 0.00 C ATOM 1435 CG LEU A 95 -6.841 2.343 4.433 1.00 0.00 C ATOM 1436 CD1 LEU A 95 -5.482 3.012 4.572 1.00 0.00 C ATOM 1437 CD2 LEU A 95 -6.732 1.080 3.591 1.00 0.00 C ATOM 0 H LEU A 95 -8.533 1.815 8.007 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.522 3.463 7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.814 1.241 6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.422 1.603 5.670 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.514 3.036 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.083 3.234 3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.588 3.938 5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.799 2.344 5.097 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.315 1.328 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.081 0.364 4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.722 0.642 3.462 1.00 0.00 H new ATOM 1449 N VAL A 96 -9.469 4.417 6.015 1.00 0.00 N ATOM 1450 CA VAL A 96 -10.183 5.517 5.377 1.00 0.00 C ATOM 1451 C VAL A 96 -9.720 6.863 5.921 1.00 0.00 C ATOM 1452 O VAL A 96 -9.529 7.816 5.166 1.00 0.00 O ATOM 1453 CB VAL A 96 -11.705 5.389 5.579 1.00 0.00 C ATOM 1454 CG1 VAL A 96 -12.426 6.581 4.970 1.00 0.00 C ATOM 1455 CG2 VAL A 96 -12.214 4.086 4.983 1.00 0.00 C ATOM 0 H VAL A 96 -10.071 3.682 6.387 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.959 5.464 4.312 1.00 0.00 H new ATOM 0 HB VAL A 96 -11.912 5.377 6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.500 6.473 5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.082 7.498 5.449 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.214 6.628 3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.291 4.013 5.135 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.996 4.065 3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.721 3.245 5.471 1.00 0.00 H new ATOM 1465 N GLU A 97 -9.541 6.933 7.236 1.00 0.00 N ATOM 1466 CA GLU A 97 -9.099 8.164 7.882 1.00 0.00 C ATOM 1467 C GLU A 97 -7.577 8.222 7.960 1.00 0.00 C ATOM 1468 O GLU A 97 -7.012 8.682 8.952 1.00 0.00 O ATOM 1469 CB GLU A 97 -9.698 8.273 9.286 1.00 0.00 C ATOM 1470 CG GLU A 97 -11.217 8.260 9.303 1.00 0.00 C ATOM 1471 CD GLU A 97 -11.790 8.744 10.622 1.00 0.00 C ATOM 1472 OE1 GLU A 97 -11.708 7.994 11.616 1.00 0.00 O ATOM 1473 OE2 GLU A 97 -12.319 9.875 10.658 1.00 0.00 O ATOM 0 H GLU A 97 -9.695 6.153 7.875 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.446 9.004 7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -9.329 7.447 9.894 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.346 9.194 9.752 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -11.591 8.890 8.496 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.570 7.248 9.107 1.00 0.00 H new ATOM 1480 N VAL A 98 -6.918 7.752 6.905 1.00 0.00 N ATOM 1481 CA VAL A 98 -5.461 7.750 6.853 1.00 0.00 C ATOM 1482 C VAL A 98 -4.862 7.519 8.236 1.00 0.00 C ATOM 1483 O VAL A 98 -4.035 8.301 8.704 1.00 0.00 O ATOM 1484 CB VAL A 98 -4.919 9.075 6.285 1.00 0.00 C ATOM 1485 CG1 VAL A 98 -3.410 8.998 6.099 1.00 0.00 C ATOM 1486 CG2 VAL A 98 -5.609 9.415 4.973 1.00 0.00 C ATOM 0 H VAL A 98 -7.370 7.368 6.075 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.168 6.933 6.193 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.134 9.871 6.998 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.044 9.943 5.697 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.934 8.804 7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.169 8.192 5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.213 10.354 4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.428 8.620 4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.681 9.515 5.141 1.00 0.00 H new ATOM 1496 N ASN A 99 -5.284 6.438 8.885 1.00 0.00 N ATOM 1497 CA ASN A 99 -4.787 6.104 10.215 1.00 0.00 C ATOM 1498 C ASN A 99 -3.409 5.455 10.134 1.00 0.00 C ATOM 1499 O ASN A 99 -3.237 4.374 9.572 1.00 0.00 O ATOM 1500 CB ASN A 99 -5.766 5.164 10.923 1.00 0.00 C ATOM 1501 CG ASN A 99 -6.889 5.913 11.614 1.00 0.00 C ATOM 1502 OD1 ASN A 99 -7.216 7.042 11.246 1.00 0.00 O ATOM 1503 ND2 ASN A 99 -7.488 5.285 12.620 1.00 0.00 N ATOM 0 H ASN A 99 -5.968 5.779 8.512 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.699 7.027 10.787 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.189 4.470 10.197 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.225 4.567 11.657 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.252 5.738 13.122 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.184 4.350 12.891 1.00 0.00 H new ATOM 1510 N PRO A 100 -2.403 6.130 10.710 1.00 0.00 N ATOM 1511 CA PRO A 100 -1.022 5.638 10.718 1.00 0.00 C ATOM 1512 C PRO A 100 -0.847 4.418 11.615 1.00 0.00 C ATOM 1513 O PRO A 100 0.188 3.752 11.580 1.00 0.00 O ATOM 1514 CB PRO A 100 -0.227 6.825 11.268 1.00 0.00 C ATOM 1515 CG PRO A 100 -1.209 7.595 12.081 1.00 0.00 C ATOM 1516 CD PRO A 100 -2.537 7.425 11.398 1.00 0.00 C ATOM 0 HA PRO A 100 -0.699 5.312 9.729 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.614 6.491 11.875 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.184 7.434 10.462 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.246 7.222 13.104 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.930 8.647 12.136 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.359 7.417 12.114 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.734 8.235 10.696 1.00 0.00 H new ATOM 1524 N LYS A 101 -1.865 4.129 12.420 1.00 0.00 N ATOM 1525 CA LYS A 101 -1.825 2.988 13.326 1.00 0.00 C ATOM 1526 C LYS A 101 -2.065 1.685 12.570 1.00 0.00 C ATOM 1527 O LYS A 101 -1.550 0.633 12.949 1.00 0.00 O ATOM 1528 CB LYS A 101 -2.872 3.150 14.430 1.00 0.00 C ATOM 1529 CG LYS A 101 -2.409 4.021 15.584 1.00 0.00 C ATOM 1530 CD LYS A 101 -2.739 5.485 15.345 1.00 0.00 C ATOM 1531 CE LYS A 101 -4.219 5.764 15.551 1.00 0.00 C ATOM 1532 NZ LYS A 101 -4.683 6.929 14.748 1.00 0.00 N ATOM 0 H LYS A 101 -2.728 4.670 12.463 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.834 2.949 13.777 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.777 3.581 14.001 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.139 2.165 14.813 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.883 3.686 16.507 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.333 3.907 15.719 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.153 6.106 16.022 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.453 5.762 14.330 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -4.796 4.881 15.276 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.409 5.953 16.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.675 7.138 14.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.094 7.758 14.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.605 6.706 13.735 1.00 0.00 H new ATOM 1546 N MET A 102 -2.849 1.763 11.500 1.00 0.00 N ATOM 1547 CA MET A 102 -3.155 0.589 10.690 1.00 0.00 C ATOM 1548 C MET A 102 -2.246 0.521 9.467 1.00 0.00 C ATOM 1549 O MET A 102 -1.738 -0.544 9.117 1.00 0.00 O ATOM 1550 CB MET A 102 -4.621 0.612 10.251 1.00 0.00 C ATOM 1551 CG MET A 102 -5.586 0.153 11.331 1.00 0.00 C ATOM 1552 SD MET A 102 -5.596 1.246 12.766 1.00 0.00 S ATOM 1553 CE MET A 102 -6.701 0.357 13.861 1.00 0.00 C ATOM 0 H MET A 102 -3.284 2.626 11.174 1.00 0.00 H new ATOM 0 HA MET A 102 -2.981 -0.297 11.300 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.885 1.625 9.946 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.739 -0.025 9.375 1.00 0.00 H new ATOM 0 HG2 MET A 102 -6.592 0.098 10.914 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.317 -0.854 11.649 1.00 0.00 H new ATOM 0 HE1 MET A 102 -6.809 0.909 14.795 1.00 0.00 H new ATOM 0 HE2 MET A 102 -7.677 0.252 13.386 1.00 0.00 H new ATOM 0 HE3 MET A 102 -6.290 -0.631 14.069 1.00 0.00 H new ATOM 1563 N VAL A 103 -2.048 1.665 8.819 1.00 0.00 N ATOM 1564 CA VAL A 103 -1.200 1.735 7.635 1.00 0.00 C ATOM 1565 C VAL A 103 0.201 1.211 7.929 1.00 0.00 C ATOM 1566 O VAL A 103 0.822 0.564 7.087 1.00 0.00 O ATOM 1567 CB VAL A 103 -1.095 3.178 7.104 1.00 0.00 C ATOM 1568 CG1 VAL A 103 -0.198 3.232 5.877 1.00 0.00 C ATOM 1569 CG2 VAL A 103 -2.477 3.730 6.789 1.00 0.00 C ATOM 0 H VAL A 103 -2.463 2.555 9.094 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.667 1.108 6.875 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.647 3.801 7.879 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.136 4.259 5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.799 2.879 6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.613 2.597 5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.385 4.750 6.415 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.953 3.108 6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.084 3.729 7.694 1.00 0.00 H new ATOM 1579 N MET A 104 0.691 1.494 9.132 1.00 0.00 N ATOM 1580 CA MET A 104 2.020 1.050 9.539 1.00 0.00 C ATOM 1581 C MET A 104 2.213 -0.432 9.236 1.00 0.00 C ATOM 1582 O MET A 104 3.334 -0.889 9.006 1.00 0.00 O ATOM 1583 CB MET A 104 2.233 1.309 11.032 1.00 0.00 C ATOM 1584 CG MET A 104 1.181 0.661 11.917 1.00 0.00 C ATOM 1585 SD MET A 104 1.690 -0.957 12.529 1.00 0.00 S ATOM 1586 CE MET A 104 0.145 -1.569 13.195 1.00 0.00 C ATOM 0 H MET A 104 0.189 2.028 9.841 1.00 0.00 H new ATOM 0 HA MET A 104 2.756 1.619 8.971 1.00 0.00 H new ATOM 0 HB2 MET A 104 3.217 0.938 11.320 1.00 0.00 H new ATOM 0 HB3 MET A 104 2.233 2.384 11.209 1.00 0.00 H new ATOM 0 HG2 MET A 104 0.970 1.315 12.763 1.00 0.00 H new ATOM 0 HG3 MET A 104 0.253 0.557 11.355 1.00 0.00 H new ATOM 0 HE1 MET A 104 0.251 -2.624 13.449 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.114 -1.004 14.090 1.00 0.00 H new ATOM 0 HE3 MET A 104 -0.643 -1.452 12.451 1.00 0.00 H new ATOM 1596 N THR A 105 1.115 -1.181 9.238 1.00 0.00 N ATOM 1597 CA THR A 105 1.163 -2.612 8.965 1.00 0.00 C ATOM 1598 C THR A 105 0.831 -2.905 7.507 1.00 0.00 C ATOM 1599 O THR A 105 1.532 -3.665 6.840 1.00 0.00 O ATOM 1600 CB THR A 105 0.188 -3.390 9.869 1.00 0.00 C ATOM 1601 OG1 THR A 105 -0.872 -2.530 10.300 1.00 0.00 O ATOM 1602 CG2 THR A 105 0.911 -3.959 11.080 1.00 0.00 C ATOM 0 H THR A 105 0.180 -0.819 9.426 1.00 0.00 H new ATOM 0 HA THR A 105 2.181 -2.940 9.176 1.00 0.00 H new ATOM 0 HB THR A 105 -0.227 -4.216 9.292 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.201 -2.009 9.538 1.00 0.00 H new ATOM 0 HG21 THR A 105 0.203 -4.504 11.704 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.699 -4.636 10.749 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.351 -3.145 11.657 1.00 0.00 H new ATOM 1610 N VAL A 106 -0.244 -2.297 7.016 1.00 0.00 N ATOM 1611 CA VAL A 106 -0.670 -2.491 5.635 1.00 0.00 C ATOM 1612 C VAL A 106 0.530 -2.578 4.698 1.00 0.00 C ATOM 1613 O VAL A 106 0.607 -3.469 3.852 1.00 0.00 O ATOM 1614 CB VAL A 106 -1.593 -1.351 5.165 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -1.875 -1.471 3.676 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -2.887 -1.351 5.964 1.00 0.00 C ATOM 0 H VAL A 106 -0.836 -1.665 7.555 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.222 -3.430 5.603 1.00 0.00 H new ATOM 0 HB VAL A 106 -1.086 -0.402 5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.529 -0.657 3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.937 -1.417 3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.361 -2.425 3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -3.528 -0.539 5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.400 -2.302 5.825 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.662 -1.211 7.021 1.00 0.00 H new ATOM 1626 N PHE A 107 1.465 -1.647 4.855 1.00 0.00 N ATOM 1627 CA PHE A 107 2.662 -1.618 4.022 1.00 0.00 C ATOM 1628 C PHE A 107 3.690 -2.632 4.512 1.00 0.00 C ATOM 1629 O PHE A 107 4.311 -3.336 3.716 1.00 0.00 O ATOM 1630 CB PHE A 107 3.273 -0.215 4.021 1.00 0.00 C ATOM 1631 CG PHE A 107 2.539 0.758 3.142 1.00 0.00 C ATOM 1632 CD1 PHE A 107 2.166 0.405 1.856 1.00 0.00 C ATOM 1633 CD2 PHE A 107 2.222 2.025 3.604 1.00 0.00 C ATOM 1634 CE1 PHE A 107 1.491 1.299 1.046 1.00 0.00 C ATOM 1635 CE2 PHE A 107 1.547 2.923 2.799 1.00 0.00 C ATOM 1636 CZ PHE A 107 1.180 2.558 1.519 1.00 0.00 C ATOM 0 H PHE A 107 1.417 -0.903 5.551 1.00 0.00 H new ATOM 0 HA PHE A 107 2.374 -1.883 3.005 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.286 0.168 5.042 1.00 0.00 H new ATOM 0 HB3 PHE A 107 4.310 -0.279 3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 107 2.405 -0.579 1.482 1.00 0.00 H new ATOM 0 HD2 PHE A 107 2.506 2.314 4.605 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.207 1.013 0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.307 3.908 3.170 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.650 3.257 0.889 1.00 0.00 H new ATOM 1646 N ALA A 108 3.865 -2.700 5.828 1.00 0.00 N ATOM 1647 CA ALA A 108 4.817 -3.630 6.425 1.00 0.00 C ATOM 1648 C ALA A 108 4.843 -4.952 5.667 1.00 0.00 C ATOM 1649 O ALA A 108 5.842 -5.296 5.034 1.00 0.00 O ATOM 1650 CB ALA A 108 4.476 -3.865 7.890 1.00 0.00 C ATOM 0 H ALA A 108 3.360 -2.123 6.501 1.00 0.00 H new ATOM 0 HA ALA A 108 5.810 -3.186 6.361 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.194 -4.561 8.324 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.517 -2.919 8.429 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.473 -4.284 7.967 1.00 0.00 H new ATOM 1656 N CYS A 109 3.740 -5.690 5.735 1.00 0.00 N ATOM 1657 CA CYS A 109 3.636 -6.976 5.055 1.00 0.00 C ATOM 1658 C CYS A 109 4.192 -6.887 3.638 1.00 0.00 C ATOM 1659 O CYS A 109 4.935 -7.765 3.195 1.00 0.00 O ATOM 1660 CB CYS A 109 2.181 -7.440 5.017 1.00 0.00 C ATOM 1661 SG CYS A 109 1.010 -6.161 4.505 1.00 0.00 S ATOM 0 H CYS A 109 2.905 -5.419 6.254 1.00 0.00 H new ATOM 0 HA CYS A 109 4.226 -7.703 5.613 1.00 0.00 H new ATOM 0 HB2 CYS A 109 2.099 -8.286 4.335 1.00 0.00 H new ATOM 0 HB3 CYS A 109 1.900 -7.799 6.007 1.00 0.00 H new ATOM 0 HG CYS A 109 1.630 -5.024 4.393 1.00 0.00 H new ATOM 1667 N LEU A 110 3.828 -5.825 2.930 1.00 0.00 N ATOM 1668 CA LEU A 110 4.288 -5.622 1.561 1.00 0.00 C ATOM 1669 C LEU A 110 5.781 -5.315 1.528 1.00 0.00 C ATOM 1670 O LEU A 110 6.585 -6.138 1.092 1.00 0.00 O ATOM 1671 CB LEU A 110 3.507 -4.484 0.902 1.00 0.00 C ATOM 1672 CG LEU A 110 1.986 -4.638 0.880 1.00 0.00 C ATOM 1673 CD1 LEU A 110 1.321 -3.320 0.513 1.00 0.00 C ATOM 1674 CD2 LEU A 110 1.575 -5.734 -0.092 1.00 0.00 C ATOM 0 H LEU A 110 3.215 -5.090 3.281 1.00 0.00 H new ATOM 0 HA LEU A 110 4.113 -6.543 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.751 -3.556 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.856 -4.378 -0.125 1.00 0.00 H new ATOM 0 HG LEU A 110 1.654 -4.923 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.239 -3.449 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.589 -2.560 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.658 -3.005 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.489 -5.830 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.919 -5.479 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.022 -6.679 0.216 1.00 0.00 H new