USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 741 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 29 THR OG1 : rot 52:sc= 0.605 USER MOD Set 1.2: A 31 HIS : no HD1:sc= 0.502 K(o=1.1,f=-3.9!) USER MOD Single : A 14 GLN : amide:sc= -1.79 K(o=-1.8,f=-6.1!) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.0139 F(o=-2.2!,f=-0.014) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -108:sc= -0.228 (180deg=-2.69!) USER MOD Single : A 23 SER OG : rot 180:sc= 0.00507 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0834 F(o=-1.6!,f=-0.083) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot -170:sc= -1.2 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 37:sc= 0.164 USER MOD Single : A 43 SER OG : rot 180:sc= -0.154 USER MOD Single : A 67 ASN :FLIP amide:sc= -0.181 F(o=-3.7!,f=-0.18) USER MOD Single : A 68 THR OG1 : rot 65:sc= 0.133 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.64! C(o=-1.6!,f=-4.6!) USER MOD Single : A 73 LYS NZ :NH3+ 166:sc= -0.0332 (180deg=-0.312) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 80 GLN :FLIP amide:sc=-0.00392 F(o=-1.1,f=-0.0039) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -92:sc= 0.0967 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.0669 F(o=-1.2,f=-0.067) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 101 THR OG1 : rot 90:sc= -0.177 USER MOD Single : A 112 GLN : amide:sc= -5.09! C(o=-5.1!,f=-6.5!) USER MOD Single : A 113 SER OG : rot 160:sc= 0 USER MOD Single : A 118 THR OG1 : rot -72:sc= -0.202 USER MOD ----------------------------------------------------------------- ATOM 112 N GLN A 14 1.116 12.670 -0.719 1.00 0.00 N ATOM 113 CA GLN A 14 1.554 11.759 0.327 1.00 0.00 C ATOM 114 C GLN A 14 2.518 10.718 -0.235 1.00 0.00 C ATOM 115 O GLN A 14 2.119 9.832 -0.991 1.00 0.00 O ATOM 116 CB GLN A 14 0.340 11.078 0.966 1.00 0.00 C ATOM 117 CG GLN A 14 0.685 9.850 1.791 1.00 0.00 C ATOM 118 CD GLN A 14 1.491 10.177 3.035 1.00 0.00 C ATOM 119 OE1 GLN A 14 2.251 11.144 3.065 1.00 0.00 O ATOM 120 NE2 GLN A 14 1.329 9.363 4.072 1.00 0.00 N ATOM 0 HA GLN A 14 2.081 12.330 1.091 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.175 11.798 1.602 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.358 10.791 0.180 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.236 9.346 2.084 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.249 9.151 1.173 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.688 8.572 4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.845 9.529 4.936 1.00 0.00 H new ATOM 129 N GLN A 15 3.790 10.836 0.136 1.00 0.00 N ATOM 130 CA GLN A 15 4.814 9.909 -0.334 1.00 0.00 C ATOM 131 C GLN A 15 5.703 9.448 0.817 1.00 0.00 C ATOM 132 O GLN A 15 5.960 10.201 1.756 1.00 0.00 O ATOM 133 CB GLN A 15 5.668 10.569 -1.418 1.00 0.00 C ATOM 134 CG GLN A 15 4.869 11.037 -2.624 1.00 0.00 C ATOM 135 CD GLN A 15 5.714 11.807 -3.619 1.00 0.00 C ATOM 136 OE1 GLN A 15 6.312 11.093 -4.567 1.00 0.00 O flip ATOM 137 NE2 GLN A 15 5.831 13.030 -3.537 1.00 0.00 N flip ATOM 0 H GLN A 15 4.136 11.564 0.761 1.00 0.00 H new ATOM 0 HA GLN A 15 4.313 9.037 -0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.191 11.422 -0.987 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.429 9.862 -1.749 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.427 10.173 -3.120 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.046 11.667 -2.288 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.354 13.539 -2.793 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.405 13.534 -4.213 1.00 0.00 H new ATOM 146 N GLY A 16 6.170 8.206 0.735 1.00 0.00 N ATOM 147 CA GLY A 16 7.026 7.663 1.773 1.00 0.00 C ATOM 148 C GLY A 16 7.307 6.185 1.577 1.00 0.00 C ATOM 149 O GLY A 16 7.458 5.721 0.446 1.00 0.00 O ATOM 0 H GLY A 16 5.970 7.565 -0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.968 8.211 1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.555 7.815 2.744 1.00 0.00 H new ATOM 153 N GLU A 17 7.377 5.445 2.679 1.00 0.00 N ATOM 154 CA GLU A 17 7.642 4.011 2.620 1.00 0.00 C ATOM 155 C GLU A 17 6.492 3.217 3.233 1.00 0.00 C ATOM 156 O GLU A 17 5.769 3.716 4.096 1.00 0.00 O ATOM 157 CB GLU A 17 8.948 3.677 3.345 1.00 0.00 C ATOM 158 CG GLU A 17 10.189 4.254 2.678 1.00 0.00 C ATOM 159 CD GLU A 17 10.266 5.764 2.785 1.00 0.00 C ATOM 160 OE1 GLU A 17 10.427 6.272 3.914 1.00 0.00 O ATOM 161 OE2 GLU A 17 10.163 6.439 1.739 1.00 0.00 O ATOM 0 H GLU A 17 7.254 5.813 3.622 1.00 0.00 H new ATOM 0 HA GLU A 17 7.736 3.731 1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.890 4.050 4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.051 2.594 3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.077 3.816 3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.197 3.968 1.626 1.00 0.00 H new ATOM 168 N LEU A 18 6.330 1.978 2.779 1.00 0.00 N ATOM 169 CA LEU A 18 5.273 1.106 3.279 1.00 0.00 C ATOM 170 C LEU A 18 5.718 -0.353 3.242 1.00 0.00 C ATOM 171 O LEU A 18 6.806 -0.666 2.760 1.00 0.00 O ATOM 172 CB LEU A 18 3.997 1.287 2.451 1.00 0.00 C ATOM 173 CG LEU A 18 2.789 1.827 3.224 1.00 0.00 C ATOM 174 CD1 LEU A 18 1.603 2.011 2.291 1.00 0.00 C ATOM 175 CD2 LEU A 18 2.426 0.896 4.372 1.00 0.00 C ATOM 0 H LEU A 18 6.920 1.554 2.063 1.00 0.00 H new ATOM 0 HA LEU A 18 5.064 1.380 4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.212 1.965 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.728 0.326 2.013 1.00 0.00 H new ATOM 0 HG LEU A 18 3.054 2.798 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.753 2.395 2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.866 2.718 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.339 1.052 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.566 1.297 4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.180 -0.090 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.272 0.812 5.054 1.00 0.00 H new ATOM 187 N TYR A 19 4.872 -1.242 3.756 1.00 0.00 N ATOM 188 CA TYR A 19 5.186 -2.666 3.779 1.00 0.00 C ATOM 189 C TYR A 19 4.086 -3.480 3.110 1.00 0.00 C ATOM 190 O TYR A 19 2.898 -3.220 3.302 1.00 0.00 O ATOM 191 CB TYR A 19 5.385 -3.141 5.220 1.00 0.00 C ATOM 192 CG TYR A 19 6.522 -2.446 5.933 1.00 0.00 C ATOM 193 CD1 TYR A 19 6.351 -1.184 6.486 1.00 0.00 C ATOM 194 CD2 TYR A 19 7.765 -3.053 6.052 1.00 0.00 C ATOM 195 CE1 TYR A 19 7.388 -0.545 7.138 1.00 0.00 C ATOM 196 CE2 TYR A 19 8.807 -2.421 6.703 1.00 0.00 C ATOM 197 CZ TYR A 19 8.614 -1.168 7.244 1.00 0.00 C ATOM 198 OH TYR A 19 9.649 -0.535 7.893 1.00 0.00 O ATOM 0 H TYR A 19 3.967 -1.002 4.161 1.00 0.00 H new ATOM 0 HA TYR A 19 6.111 -2.817 3.222 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.463 -2.978 5.778 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.571 -4.215 5.218 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.392 -0.694 6.405 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.920 -4.035 5.629 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.239 0.437 7.562 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.768 -2.906 6.788 1.00 0.00 H new ATOM 0 HH TYR A 19 10.443 -1.109 7.880 1.00 0.00 H new ATOM 208 N MET A 20 4.495 -4.469 2.323 1.00 0.00 N ATOM 209 CA MET A 20 3.555 -5.331 1.618 1.00 0.00 C ATOM 210 C MET A 20 3.948 -6.795 1.779 1.00 0.00 C ATOM 211 O MET A 20 5.125 -7.145 1.689 1.00 0.00 O ATOM 212 CB MET A 20 3.506 -4.955 0.137 1.00 0.00 C ATOM 213 CG MET A 20 2.787 -3.641 -0.134 1.00 0.00 C ATOM 214 SD MET A 20 3.125 -2.990 -1.781 1.00 0.00 S ATOM 215 CE MET A 20 2.493 -4.314 -2.808 1.00 0.00 C ATOM 0 H MET A 20 5.476 -4.694 2.157 1.00 0.00 H new ATOM 0 HA MET A 20 2.564 -5.191 2.050 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.524 -4.888 -0.246 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.009 -5.752 -0.416 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.713 -3.789 -0.019 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.089 -2.906 0.612 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.325 -4.849 -3.266 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.912 -5.003 -2.196 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.857 -3.897 -3.589 1.00 0.00 H new ATOM 225 N TRP A 21 2.956 -7.646 2.020 1.00 0.00 N ATOM 226 CA TRP A 21 3.197 -9.073 2.202 1.00 0.00 C ATOM 227 C TRP A 21 3.906 -9.676 0.993 1.00 0.00 C ATOM 228 O TRP A 21 3.441 -9.551 -0.141 1.00 0.00 O ATOM 229 CB TRP A 21 1.879 -9.807 2.455 1.00 0.00 C ATOM 230 CG TRP A 21 2.025 -11.297 2.508 1.00 0.00 C ATOM 231 CD1 TRP A 21 1.362 -12.212 1.740 1.00 0.00 C ATOM 232 CD2 TRP A 21 2.890 -12.048 3.370 1.00 0.00 C ATOM 233 NE1 TRP A 21 1.760 -13.485 2.074 1.00 0.00 N ATOM 234 CE2 TRP A 21 2.695 -13.410 3.071 1.00 0.00 C ATOM 235 CE3 TRP A 21 3.809 -11.704 4.367 1.00 0.00 C ATOM 236 CZ2 TRP A 21 3.382 -14.423 3.732 1.00 0.00 C ATOM 237 CZ3 TRP A 21 4.491 -12.713 5.019 1.00 0.00 C ATOM 238 CH2 TRP A 21 4.274 -14.058 4.699 1.00 0.00 C ATOM 0 H TRP A 21 1.976 -7.372 2.094 1.00 0.00 H new ATOM 0 HA TRP A 21 3.846 -9.192 3.070 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.453 -9.458 3.396 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.171 -9.547 1.668 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.632 -11.971 0.981 1.00 0.00 H new ATOM 0 HE1 TRP A 21 1.415 -14.345 1.648 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.982 -10.669 4.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.216 -15.462 3.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 5.204 -12.459 5.789 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.823 -14.823 5.228 1.00 0.00 H new ATOM 249 N ASP A 22 5.034 -10.330 1.248 1.00 0.00 N ATOM 250 CA ASP A 22 5.813 -10.966 0.191 1.00 0.00 C ATOM 251 C ASP A 22 5.874 -12.474 0.407 1.00 0.00 C ATOM 252 O ASP A 22 6.671 -12.960 1.206 1.00 0.00 O ATOM 253 CB ASP A 22 7.230 -10.389 0.155 1.00 0.00 C ATOM 254 CG ASP A 22 7.263 -8.964 -0.365 1.00 0.00 C ATOM 255 OD1 ASP A 22 7.226 -8.782 -1.599 1.00 0.00 O ATOM 256 OD2 ASP A 22 7.328 -8.033 0.464 1.00 0.00 O ATOM 0 H ASP A 22 5.431 -10.434 2.182 1.00 0.00 H new ATOM 0 HA ASP A 22 5.324 -10.767 -0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.656 -10.416 1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.859 -11.017 -0.476 1.00 0.00 H new ATOM 261 N SER A 23 5.024 -13.209 -0.305 1.00 0.00 N ATOM 262 CA SER A 23 4.987 -14.663 -0.184 1.00 0.00 C ATOM 263 C SER A 23 6.217 -15.299 -0.821 1.00 0.00 C ATOM 264 O SER A 23 6.424 -16.509 -0.718 1.00 0.00 O ATOM 265 CB SER A 23 3.714 -15.225 -0.821 1.00 0.00 C ATOM 266 OG SER A 23 3.517 -14.698 -2.121 1.00 0.00 O ATOM 0 H SER A 23 4.354 -12.823 -0.970 1.00 0.00 H new ATOM 0 HA SER A 23 4.986 -14.908 0.878 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.779 -16.312 -0.872 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.855 -14.986 -0.195 1.00 0.00 H new ATOM 0 HG SER A 23 2.698 -15.074 -2.506 1.00 0.00 H new ATOM 272 N ILE A 24 7.032 -14.481 -1.480 1.00 0.00 N ATOM 273 CA ILE A 24 8.247 -14.970 -2.120 1.00 0.00 C ATOM 274 C ILE A 24 9.222 -15.461 -1.059 1.00 0.00 C ATOM 275 O ILE A 24 9.861 -16.503 -1.211 1.00 0.00 O ATOM 276 CB ILE A 24 8.927 -13.878 -2.974 1.00 0.00 C ATOM 277 CG1 ILE A 24 8.026 -13.462 -4.140 1.00 0.00 C ATOM 278 CG2 ILE A 24 10.272 -14.367 -3.492 1.00 0.00 C ATOM 279 CD1 ILE A 24 6.875 -12.565 -3.737 1.00 0.00 C ATOM 0 H ILE A 24 6.873 -13.479 -1.584 1.00 0.00 H new ATOM 0 HA ILE A 24 7.966 -15.789 -2.783 1.00 0.00 H new ATOM 0 HB ILE A 24 9.094 -13.006 -2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.630 -12.948 -4.887 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.626 -14.358 -4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.737 -13.585 -4.092 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.919 -14.612 -2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.124 -15.255 -4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.284 -12.314 -4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.246 -13.083 -3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.265 -11.651 -3.290 1.00 0.00 H new ATOM 291 N ASP A 25 9.322 -14.691 0.016 1.00 0.00 N ATOM 292 CA ASP A 25 10.193 -15.026 1.135 1.00 0.00 C ATOM 293 C ASP A 25 9.377 -15.090 2.418 1.00 0.00 C ATOM 294 O ASP A 25 9.916 -15.317 3.502 1.00 0.00 O ATOM 295 CB ASP A 25 11.304 -13.983 1.279 1.00 0.00 C ATOM 296 CG ASP A 25 12.293 -14.028 0.132 1.00 0.00 C ATOM 297 OD1 ASP A 25 12.070 -13.322 -0.874 1.00 0.00 O ATOM 298 OD2 ASP A 25 13.293 -14.769 0.238 1.00 0.00 O ATOM 0 H ASP A 25 8.804 -13.820 0.137 1.00 0.00 H new ATOM 0 HA ASP A 25 10.649 -15.998 0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.860 -12.989 1.333 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.833 -14.147 2.218 1.00 0.00 H new ATOM 303 N GLN A 26 8.068 -14.890 2.278 1.00 0.00 N ATOM 304 CA GLN A 26 7.160 -14.900 3.413 1.00 0.00 C ATOM 305 C GLN A 26 7.689 -13.989 4.510 1.00 0.00 C ATOM 306 O GLN A 26 8.129 -14.447 5.565 1.00 0.00 O ATOM 307 CB GLN A 26 6.951 -16.321 3.932 1.00 0.00 C ATOM 308 CG GLN A 26 6.317 -17.236 2.899 1.00 0.00 C ATOM 309 CD GLN A 26 5.215 -18.103 3.473 1.00 0.00 C ATOM 310 OE1 GLN A 26 3.979 -17.629 3.362 1.00 0.00 O flip ATOM 311 NE2 GLN A 26 5.468 -19.188 3.995 1.00 0.00 N flip ATOM 0 H GLN A 26 7.614 -14.718 1.381 1.00 0.00 H new ATOM 0 HA GLN A 26 6.190 -14.523 3.088 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.911 -16.736 4.238 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.319 -16.290 4.820 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.911 -16.632 2.087 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.087 -17.875 2.467 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.433 -19.511 4.058 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.712 -19.765 4.365 1.00 0.00 H new ATOM 320 N LYS A 27 7.644 -12.690 4.237 1.00 0.00 N ATOM 321 CA LYS A 27 8.135 -11.690 5.175 1.00 0.00 C ATOM 322 C LYS A 27 7.691 -10.289 4.761 1.00 0.00 C ATOM 323 O LYS A 27 7.047 -10.112 3.726 1.00 0.00 O ATOM 324 CB LYS A 27 9.663 -11.752 5.239 1.00 0.00 C ATOM 325 CG LYS A 27 10.324 -11.732 3.870 1.00 0.00 C ATOM 326 CD LYS A 27 11.838 -11.822 3.976 1.00 0.00 C ATOM 327 CE LYS A 27 12.439 -10.516 4.466 1.00 0.00 C ATOM 328 NZ LYS A 27 13.914 -10.618 4.648 1.00 0.00 N ATOM 0 H LYS A 27 7.271 -12.305 3.370 1.00 0.00 H new ATOM 0 HA LYS A 27 7.718 -11.904 6.159 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.030 -10.909 5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.961 -12.659 5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.951 -12.564 3.273 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.049 -10.816 3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.109 -12.627 4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.258 -12.075 3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.215 -9.723 3.753 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.975 -10.235 5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.286 -9.707 4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.127 -11.357 5.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.360 -10.861 3.740 1.00 0.00 H new ATOM 342 N TRP A 28 8.040 -9.299 5.576 1.00 0.00 N ATOM 343 CA TRP A 28 7.687 -7.911 5.294 1.00 0.00 C ATOM 344 C TRP A 28 8.923 -7.105 4.909 1.00 0.00 C ATOM 345 O TRP A 28 9.833 -6.924 5.719 1.00 0.00 O ATOM 346 CB TRP A 28 7.010 -7.271 6.506 1.00 0.00 C ATOM 347 CG TRP A 28 5.680 -7.874 6.835 1.00 0.00 C ATOM 348 CD1 TRP A 28 5.434 -8.878 7.728 1.00 0.00 C ATOM 349 CD2 TRP A 28 4.412 -7.513 6.276 1.00 0.00 C ATOM 350 NE1 TRP A 28 4.090 -9.161 7.760 1.00 0.00 N ATOM 351 CE2 TRP A 28 3.442 -8.337 6.876 1.00 0.00 C ATOM 352 CE3 TRP A 28 4.001 -6.571 5.326 1.00 0.00 C ATOM 353 CZ2 TRP A 28 2.089 -8.251 6.558 1.00 0.00 C ATOM 354 CZ3 TRP A 28 2.657 -6.486 5.011 1.00 0.00 C ATOM 355 CH2 TRP A 28 1.716 -7.322 5.625 1.00 0.00 C ATOM 0 H TRP A 28 8.568 -9.432 6.439 1.00 0.00 H new ATOM 0 HA TRP A 28 6.990 -7.907 4.456 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.667 -7.365 7.371 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.880 -6.205 6.319 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.186 -9.376 8.322 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.647 -9.869 8.346 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.720 -5.922 4.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.361 -8.894 7.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.328 -5.763 4.279 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.674 -7.232 5.356 1.00 0.00 H new ATOM 366 N THR A 29 8.948 -6.625 3.672 1.00 0.00 N ATOM 367 CA THR A 29 10.073 -5.837 3.183 1.00 0.00 C ATOM 368 C THR A 29 9.704 -4.361 3.081 1.00 0.00 C ATOM 369 O THR A 29 8.533 -3.996 3.184 1.00 0.00 O ATOM 370 CB THR A 29 10.550 -6.333 1.806 1.00 0.00 C ATOM 371 OG1 THR A 29 9.483 -6.247 0.856 1.00 0.00 O ATOM 372 CG2 THR A 29 11.045 -7.768 1.889 1.00 0.00 C ATOM 0 H THR A 29 8.203 -6.767 2.990 1.00 0.00 H new ATOM 0 HA THR A 29 10.882 -5.958 3.903 1.00 0.00 H new ATOM 0 HB THR A 29 11.375 -5.698 1.483 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.102 -5.344 0.873 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.377 -8.096 0.904 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.878 -7.826 2.590 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.236 -8.413 2.233 1.00 0.00 H new ATOM 380 N ARG A 30 10.710 -3.517 2.877 1.00 0.00 N ATOM 381 CA ARG A 30 10.490 -2.079 2.765 1.00 0.00 C ATOM 382 C ARG A 30 10.352 -1.660 1.304 1.00 0.00 C ATOM 383 O ARG A 30 11.217 -1.955 0.479 1.00 0.00 O ATOM 384 CB ARG A 30 11.642 -1.316 3.423 1.00 0.00 C ATOM 385 CG ARG A 30 11.470 0.194 3.393 1.00 0.00 C ATOM 386 CD ARG A 30 12.595 0.898 4.132 1.00 0.00 C ATOM 387 NE ARG A 30 12.641 0.522 5.543 1.00 0.00 N ATOM 388 CZ ARG A 30 13.424 1.116 6.439 1.00 0.00 C ATOM 389 NH1 ARG A 30 14.222 2.111 6.075 1.00 0.00 N ATOM 390 NH2 ARG A 30 13.407 0.717 7.704 1.00 0.00 N ATOM 0 H ARG A 30 11.685 -3.803 2.786 1.00 0.00 H new ATOM 0 HA ARG A 30 9.561 -1.836 3.280 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.737 -1.642 4.459 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.573 -1.577 2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.442 0.537 2.359 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.514 0.461 3.844 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.547 0.654 3.660 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.465 1.977 4.048 1.00 0.00 H new ATOM 0 HE ARG A 30 12.039 -0.239 5.859 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.237 2.424 5.104 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.821 2.563 6.766 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.793 -0.046 7.990 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.008 1.173 8.391 1.00 0.00 H new ATOM 404 N HIS A 31 9.259 -0.970 0.994 1.00 0.00 N ATOM 405 CA HIS A 31 9.005 -0.507 -0.367 1.00 0.00 C ATOM 406 C HIS A 31 8.820 1.006 -0.398 1.00 0.00 C ATOM 407 O HIS A 31 8.254 1.589 0.527 1.00 0.00 O ATOM 408 CB HIS A 31 7.756 -1.182 -0.938 1.00 0.00 C ATOM 409 CG HIS A 31 7.733 -2.669 -0.766 1.00 0.00 C ATOM 410 ND1 HIS A 31 8.081 -3.549 -1.768 1.00 0.00 N ATOM 411 CD2 HIS A 31 7.386 -3.430 0.298 1.00 0.00 C ATOM 412 CE1 HIS A 31 7.946 -4.787 -1.329 1.00 0.00 C ATOM 413 NE2 HIS A 31 7.527 -4.742 -0.078 1.00 0.00 N ATOM 0 H HIS A 31 8.534 -0.719 1.667 1.00 0.00 H new ATOM 0 HA HIS A 31 9.869 -0.772 -0.977 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.875 -0.758 -0.457 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.683 -0.949 -2.000 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.059 -3.071 1.263 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.145 -5.684 -1.897 1.00 0.00 H new ATOM 0 HE2 HIS A 31 7.339 -5.551 0.513 1.00 0.00 H new ATOM 422 N TYR A 32 9.299 1.638 -1.464 1.00 0.00 N ATOM 423 CA TYR A 32 9.165 3.081 -1.614 1.00 0.00 C ATOM 424 C TYR A 32 7.863 3.414 -2.333 1.00 0.00 C ATOM 425 O TYR A 32 7.796 3.391 -3.562 1.00 0.00 O ATOM 426 CB TYR A 32 10.355 3.656 -2.385 1.00 0.00 C ATOM 427 CG TYR A 32 10.345 5.165 -2.476 1.00 0.00 C ATOM 428 CD1 TYR A 32 10.745 5.946 -1.399 1.00 0.00 C ATOM 429 CD2 TYR A 32 9.933 5.808 -3.636 1.00 0.00 C ATOM 430 CE1 TYR A 32 10.736 7.326 -1.476 1.00 0.00 C ATOM 431 CE2 TYR A 32 9.922 7.188 -3.722 1.00 0.00 C ATOM 432 CZ TYR A 32 10.323 7.942 -2.639 1.00 0.00 C ATOM 433 OH TYR A 32 10.313 9.315 -2.720 1.00 0.00 O ATOM 0 H TYR A 32 9.782 1.175 -2.234 1.00 0.00 H new ATOM 0 HA TYR A 32 9.147 3.531 -0.622 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.279 3.336 -1.903 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.360 3.240 -3.392 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.068 5.467 -0.487 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.616 5.220 -4.485 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.051 7.919 -0.630 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.601 7.673 -4.632 1.00 0.00 H new ATOM 0 HH TYR A 32 9.997 9.588 -3.606 1.00 0.00 H new ATOM 443 N CYS A 33 6.828 3.716 -1.556 1.00 0.00 N ATOM 444 CA CYS A 33 5.520 4.036 -2.115 1.00 0.00 C ATOM 445 C CYS A 33 5.371 5.531 -2.373 1.00 0.00 C ATOM 446 O CYS A 33 6.104 6.348 -1.815 1.00 0.00 O ATOM 447 CB CYS A 33 4.416 3.557 -1.172 1.00 0.00 C ATOM 448 SG CYS A 33 4.336 1.761 -0.981 1.00 0.00 S ATOM 0 H CYS A 33 6.870 3.746 -0.537 1.00 0.00 H new ATOM 0 HA CYS A 33 5.431 3.521 -3.071 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.568 4.009 -0.192 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.456 3.915 -1.543 1.00 0.00 H new ATOM 0 HG CYS A 33 3.252 1.441 -0.339 1.00 0.00 H new ATOM 454 N ALA A 34 4.412 5.876 -3.227 1.00 0.00 N ATOM 455 CA ALA A 34 4.145 7.268 -3.573 1.00 0.00 C ATOM 456 C ALA A 34 2.837 7.387 -4.345 1.00 0.00 C ATOM 457 O ALA A 34 2.697 6.829 -5.434 1.00 0.00 O ATOM 458 CB ALA A 34 5.296 7.843 -4.384 1.00 0.00 C ATOM 0 H ALA A 34 3.803 5.205 -3.695 1.00 0.00 H new ATOM 0 HA ALA A 34 4.052 7.840 -2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.081 8.882 -4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.214 7.793 -3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.418 7.267 -5.301 1.00 0.00 H new ATOM 464 N ILE A 35 1.880 8.115 -3.779 1.00 0.00 N ATOM 465 CA ILE A 35 0.582 8.296 -4.417 1.00 0.00 C ATOM 466 C ILE A 35 0.584 9.504 -5.348 1.00 0.00 C ATOM 467 O ILE A 35 0.927 10.614 -4.943 1.00 0.00 O ATOM 468 CB ILE A 35 -0.539 8.464 -3.373 1.00 0.00 C ATOM 469 CG1 ILE A 35 -0.592 7.243 -2.452 1.00 0.00 C ATOM 470 CG2 ILE A 35 -1.881 8.674 -4.063 1.00 0.00 C ATOM 471 CD1 ILE A 35 -1.567 7.388 -1.303 1.00 0.00 C ATOM 0 H ILE A 35 1.979 8.588 -2.881 1.00 0.00 H new ATOM 0 HA ILE A 35 0.392 7.396 -5.002 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.324 9.345 -2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.865 6.367 -3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.404 7.059 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.662 8.791 -3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.836 9.570 -4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.107 7.811 -4.690 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.549 6.484 -0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.283 8.244 -0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.572 7.541 -1.696 1.00 0.00 H new ATOM 483 N ALA A 36 0.198 9.272 -6.599 1.00 0.00 N ATOM 484 CA ALA A 36 0.148 10.333 -7.597 1.00 0.00 C ATOM 485 C ALA A 36 -1.231 10.409 -8.244 1.00 0.00 C ATOM 486 O ALA A 36 -1.703 9.436 -8.832 1.00 0.00 O ATOM 487 CB ALA A 36 1.216 10.108 -8.656 1.00 0.00 C ATOM 0 H ALA A 36 -0.085 8.355 -6.946 1.00 0.00 H new ATOM 0 HA ALA A 36 0.341 11.282 -7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.169 10.907 -9.396 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.200 10.106 -8.186 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.046 9.149 -9.146 1.00 0.00 H new ATOM 493 N ASP A 37 -1.869 11.572 -8.128 1.00 0.00 N ATOM 494 CA ASP A 37 -3.197 11.789 -8.698 1.00 0.00 C ATOM 495 C ASP A 37 -4.242 10.906 -8.020 1.00 0.00 C ATOM 496 O ASP A 37 -4.957 11.355 -7.123 1.00 0.00 O ATOM 497 CB ASP A 37 -3.186 11.528 -10.207 1.00 0.00 C ATOM 498 CG ASP A 37 -2.212 12.426 -10.943 1.00 0.00 C ATOM 499 OD1 ASP A 37 -2.621 13.528 -11.365 1.00 0.00 O ATOM 500 OD2 ASP A 37 -1.037 12.027 -11.098 1.00 0.00 O ATOM 0 H ASP A 37 -1.485 12.382 -7.642 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.466 12.831 -8.522 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.925 10.486 -10.391 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.189 11.680 -10.606 1.00 0.00 H new ATOM 505 N ALA A 38 -4.329 9.650 -8.451 1.00 0.00 N ATOM 506 CA ALA A 38 -5.292 8.713 -7.881 1.00 0.00 C ATOM 507 C ALA A 38 -4.751 7.288 -7.881 1.00 0.00 C ATOM 508 O ALA A 38 -5.498 6.333 -7.675 1.00 0.00 O ATOM 509 CB ALA A 38 -6.604 8.774 -8.648 1.00 0.00 C ATOM 0 H ALA A 38 -3.746 9.259 -9.191 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.468 9.005 -6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.313 8.070 -8.212 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.012 9.783 -8.591 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.428 8.513 -9.691 1.00 0.00 H new ATOM 515 N LYS A 39 -3.449 7.149 -8.111 1.00 0.00 N ATOM 516 CA LYS A 39 -2.816 5.836 -8.137 1.00 0.00 C ATOM 517 C LYS A 39 -1.679 5.748 -7.125 1.00 0.00 C ATOM 518 O LYS A 39 -1.154 6.765 -6.674 1.00 0.00 O ATOM 519 CB LYS A 39 -2.297 5.530 -9.540 1.00 0.00 C ATOM 520 CG LYS A 39 -3.406 5.384 -10.566 1.00 0.00 C ATOM 521 CD LYS A 39 -2.864 4.970 -11.923 1.00 0.00 C ATOM 522 CE LYS A 39 -3.961 4.945 -12.974 1.00 0.00 C ATOM 523 NZ LYS A 39 -3.443 4.541 -14.311 1.00 0.00 N ATOM 0 H LYS A 39 -2.813 7.928 -8.282 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.567 5.095 -7.863 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.623 6.327 -9.853 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.712 4.610 -9.512 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.127 4.643 -10.220 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.941 6.329 -10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.080 5.662 -12.230 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.407 3.983 -11.848 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.744 4.253 -12.664 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.418 5.932 -13.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.223 4.537 -14.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.714 5.215 -14.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.030 3.588 -14.250 1.00 0.00 H new ATOM 537 N LEU A 40 -1.307 4.521 -6.772 1.00 0.00 N ATOM 538 CA LEU A 40 -0.230 4.288 -5.815 1.00 0.00 C ATOM 539 C LEU A 40 0.856 3.409 -6.428 1.00 0.00 C ATOM 540 O LEU A 40 0.608 2.257 -6.778 1.00 0.00 O ATOM 541 CB LEU A 40 -0.786 3.631 -4.549 1.00 0.00 C ATOM 542 CG LEU A 40 0.267 3.069 -3.590 1.00 0.00 C ATOM 543 CD1 LEU A 40 1.144 4.183 -3.043 1.00 0.00 C ATOM 544 CD2 LEU A 40 -0.400 2.306 -2.455 1.00 0.00 C ATOM 0 H LEU A 40 -1.737 3.670 -7.136 1.00 0.00 H new ATOM 0 HA LEU A 40 0.212 5.249 -5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.388 4.364 -4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.455 2.822 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 40 0.901 2.377 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.885 3.762 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.651 4.685 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.526 4.902 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.363 1.913 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.059 2.977 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.982 1.481 -2.864 1.00 0.00 H new ATOM 556 N SER A 41 2.062 3.956 -6.546 1.00 0.00 N ATOM 557 CA SER A 41 3.181 3.218 -7.124 1.00 0.00 C ATOM 558 C SER A 41 4.203 2.834 -6.060 1.00 0.00 C ATOM 559 O SER A 41 4.694 3.688 -5.320 1.00 0.00 O ATOM 560 CB SER A 41 3.859 4.052 -8.213 1.00 0.00 C ATOM 561 OG SER A 41 4.276 5.309 -7.709 1.00 0.00 O ATOM 0 H SER A 41 2.290 4.905 -6.250 1.00 0.00 H new ATOM 0 HA SER A 41 2.783 2.303 -7.562 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.720 3.511 -8.606 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.169 4.201 -9.044 1.00 0.00 H new ATOM 0 HG SER A 41 4.594 5.203 -6.788 1.00 0.00 H new ATOM 567 N PHE A 42 4.520 1.545 -5.989 1.00 0.00 N ATOM 568 CA PHE A 42 5.495 1.049 -5.025 1.00 0.00 C ATOM 569 C PHE A 42 6.736 0.523 -5.743 1.00 0.00 C ATOM 570 O PHE A 42 6.631 -0.202 -6.732 1.00 0.00 O ATOM 571 CB PHE A 42 4.881 -0.047 -4.148 1.00 0.00 C ATOM 572 CG PHE A 42 4.376 -1.236 -4.917 1.00 0.00 C ATOM 573 CD1 PHE A 42 3.098 -1.240 -5.450 1.00 0.00 C ATOM 574 CD2 PHE A 42 5.179 -2.350 -5.099 1.00 0.00 C ATOM 575 CE1 PHE A 42 2.629 -2.334 -6.153 1.00 0.00 C ATOM 576 CE2 PHE A 42 4.716 -3.448 -5.800 1.00 0.00 C ATOM 577 CZ PHE A 42 3.440 -3.440 -6.329 1.00 0.00 C ATOM 0 H PHE A 42 4.116 0.825 -6.588 1.00 0.00 H new ATOM 0 HA PHE A 42 5.791 1.878 -4.381 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.628 -0.383 -3.429 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.057 0.379 -3.576 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.460 -0.379 -5.315 1.00 0.00 H new ATOM 0 HD2 PHE A 42 6.178 -2.361 -4.689 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.630 -2.325 -6.564 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.351 -4.311 -5.934 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.077 -4.296 -6.879 1.00 0.00 H new ATOM 587 N SER A 43 7.908 0.897 -5.240 1.00 0.00 N ATOM 588 CA SER A 43 9.167 0.470 -5.842 1.00 0.00 C ATOM 589 C SER A 43 9.697 -0.798 -5.181 1.00 0.00 C ATOM 590 O SER A 43 9.257 -1.179 -4.096 1.00 0.00 O ATOM 591 CB SER A 43 10.209 1.586 -5.735 1.00 0.00 C ATOM 592 OG SER A 43 11.435 1.198 -6.329 1.00 0.00 O ATOM 0 H SER A 43 8.013 1.493 -4.419 1.00 0.00 H new ATOM 0 HA SER A 43 8.977 0.252 -6.893 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.834 2.486 -6.223 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.372 1.836 -4.687 1.00 0.00 H new ATOM 0 HG SER A 43 12.083 1.929 -6.249 1.00 0.00 H new ATOM 598 N ASP A 44 10.646 -1.447 -5.849 1.00 0.00 N ATOM 599 CA ASP A 44 11.249 -2.673 -5.339 1.00 0.00 C ATOM 600 C ASP A 44 12.081 -2.390 -4.093 1.00 0.00 C ATOM 601 O ASP A 44 12.380 -1.236 -3.785 1.00 0.00 O ATOM 602 CB ASP A 44 12.122 -3.323 -6.413 1.00 0.00 C ATOM 603 CG ASP A 44 13.256 -2.422 -6.861 1.00 0.00 C ATOM 604 OD1 ASP A 44 13.052 -1.639 -7.813 1.00 0.00 O ATOM 605 OD2 ASP A 44 14.350 -2.501 -6.261 1.00 0.00 O ATOM 0 H ASP A 44 11.015 -1.142 -6.749 1.00 0.00 H new ATOM 0 HA ASP A 44 10.446 -3.360 -5.071 1.00 0.00 H new ATOM 0 HB2 ASP A 44 12.534 -4.256 -6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.504 -3.579 -7.273 1.00 0.00 H new ATOM 610 N ASP A 45 12.441 -3.454 -3.375 1.00 0.00 N ATOM 611 CA ASP A 45 13.240 -3.335 -2.158 1.00 0.00 C ATOM 612 C ASP A 45 14.356 -2.308 -2.329 1.00 0.00 C ATOM 613 O ASP A 45 15.082 -2.325 -3.323 1.00 0.00 O ATOM 614 CB ASP A 45 13.841 -4.692 -1.787 1.00 0.00 C ATOM 615 CG ASP A 45 12.790 -5.779 -1.679 1.00 0.00 C ATOM 616 OD1 ASP A 45 12.339 -6.276 -2.731 1.00 0.00 O ATOM 617 OD2 ASP A 45 12.422 -6.136 -0.541 1.00 0.00 O ATOM 0 H ASP A 45 12.190 -4.412 -3.618 1.00 0.00 H new ATOM 0 HA ASP A 45 12.582 -2.998 -1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.579 -4.977 -2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.369 -4.605 -0.837 1.00 0.00 H new ATOM 622 N ILE A 46 14.486 -1.414 -1.354 1.00 0.00 N ATOM 623 CA ILE A 46 15.513 -0.378 -1.395 1.00 0.00 C ATOM 624 C ILE A 46 16.677 -0.721 -0.472 1.00 0.00 C ATOM 625 O ILE A 46 17.628 0.051 -0.345 1.00 0.00 O ATOM 626 CB ILE A 46 14.941 0.996 -0.998 1.00 0.00 C ATOM 627 CG1 ILE A 46 14.342 0.936 0.411 1.00 0.00 C ATOM 628 CG2 ILE A 46 13.897 1.445 -2.009 1.00 0.00 C ATOM 629 CD1 ILE A 46 13.875 2.279 0.931 1.00 0.00 C ATOM 0 H ILE A 46 13.893 -1.386 -0.525 1.00 0.00 H new ATOM 0 HA ILE A 46 15.872 -0.329 -2.423 1.00 0.00 H new ATOM 0 HB ILE A 46 15.751 1.726 -0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.500 0.244 0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.086 0.530 1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.501 2.417 -1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 46 14.355 1.522 -2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.086 0.718 -2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.463 2.158 1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 46 14.718 2.969 0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 46 13.107 2.678 0.269 1.00 0.00 H new ATOM 641 N GLU A 47 16.595 -1.881 0.170 1.00 0.00 N ATOM 642 CA GLU A 47 17.642 -2.327 1.083 1.00 0.00 C ATOM 643 C GLU A 47 17.601 -3.842 1.262 1.00 0.00 C ATOM 644 O GLU A 47 18.639 -4.487 1.408 1.00 0.00 O ATOM 645 CB GLU A 47 17.493 -1.634 2.440 1.00 0.00 C ATOM 646 CG GLU A 47 16.120 -1.808 3.067 1.00 0.00 C ATOM 647 CD GLU A 47 16.006 -1.129 4.418 1.00 0.00 C ATOM 648 OE1 GLU A 47 15.672 0.073 4.453 1.00 0.00 O ATOM 649 OE2 GLU A 47 16.252 -1.802 5.441 1.00 0.00 O ATOM 0 H GLU A 47 15.814 -2.530 0.075 1.00 0.00 H new ATOM 0 HA GLU A 47 18.606 -2.059 0.650 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.247 -2.026 3.123 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.695 -0.570 2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.364 -1.402 2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.908 -2.871 3.180 1.00 0.00 H new ATOM 841 N ARG A 61 7.645 -0.750 -9.650 1.00 0.00 N ATOM 842 CA ARG A 61 7.495 -2.200 -9.627 1.00 0.00 C ATOM 843 C ARG A 61 6.029 -2.587 -9.794 1.00 0.00 C ATOM 844 O ARG A 61 5.710 -3.676 -10.270 1.00 0.00 O ATOM 845 CB ARG A 61 8.042 -2.769 -8.316 1.00 0.00 C ATOM 846 CG ARG A 61 7.962 -4.285 -8.218 1.00 0.00 C ATOM 847 CD ARG A 61 9.002 -4.965 -9.096 1.00 0.00 C ATOM 848 NE ARG A 61 8.721 -4.794 -10.519 1.00 0.00 N ATOM 849 CZ ARG A 61 9.543 -5.190 -11.485 1.00 0.00 C ATOM 850 NH1 ARG A 61 10.696 -5.775 -11.184 1.00 0.00 N ATOM 851 NH2 ARG A 61 9.215 -5.000 -12.756 1.00 0.00 N ATOM 0 HA ARG A 61 8.063 -2.619 -10.457 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.082 -2.462 -8.205 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.490 -2.332 -7.484 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.106 -4.590 -7.182 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.966 -4.616 -8.512 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.987 -4.557 -8.871 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.035 -6.028 -8.859 1.00 0.00 H new ATOM 0 HE ARG A 61 7.845 -4.346 -10.786 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.954 -5.922 -10.208 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.324 -6.077 -11.929 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.331 -4.549 -12.993 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.847 -5.304 -13.497 1.00 0.00 H new ATOM 865 N GLY A 62 5.143 -1.680 -9.396 1.00 0.00 N ATOM 866 CA GLY A 62 3.718 -1.926 -9.502 1.00 0.00 C ATOM 867 C GLY A 62 2.902 -0.714 -9.102 1.00 0.00 C ATOM 868 O GLY A 62 3.348 0.100 -8.292 1.00 0.00 O ATOM 0 H GLY A 62 5.390 -0.773 -8.999 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.474 -2.206 -10.527 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.448 -2.770 -8.868 1.00 0.00 H new ATOM 872 N ILE A 63 1.706 -0.587 -9.667 1.00 0.00 N ATOM 873 CA ILE A 63 0.839 0.544 -9.361 1.00 0.00 C ATOM 874 C ILE A 63 -0.611 0.109 -9.189 1.00 0.00 C ATOM 875 O ILE A 63 -1.117 -0.721 -9.945 1.00 0.00 O ATOM 876 CB ILE A 63 0.897 1.619 -10.465 1.00 0.00 C ATOM 877 CG1 ILE A 63 2.348 2.009 -10.758 1.00 0.00 C ATOM 878 CG2 ILE A 63 0.086 2.840 -10.052 1.00 0.00 C ATOM 879 CD1 ILE A 63 2.490 3.040 -11.858 1.00 0.00 C ATOM 0 H ILE A 63 1.316 -1.251 -10.337 1.00 0.00 H new ATOM 0 HA ILE A 63 1.207 0.964 -8.425 1.00 0.00 H new ATOM 0 HB ILE A 63 0.464 1.207 -11.377 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.802 2.398 -9.846 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.906 1.115 -11.036 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.134 3.592 -10.839 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.952 2.550 -9.891 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.495 3.253 -9.130 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.545 3.267 -12.010 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.067 2.647 -12.782 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.960 3.950 -11.575 1.00 0.00 H new ATOM 891 N LEU A 64 -1.274 0.676 -8.186 1.00 0.00 N ATOM 892 CA LEU A 64 -2.672 0.371 -7.921 1.00 0.00 C ATOM 893 C LEU A 64 -3.559 1.486 -8.460 1.00 0.00 C ATOM 894 O LEU A 64 -3.547 2.603 -7.943 1.00 0.00 O ATOM 895 CB LEU A 64 -2.921 0.196 -6.417 1.00 0.00 C ATOM 896 CG LEU A 64 -2.330 -1.069 -5.783 1.00 0.00 C ATOM 897 CD1 LEU A 64 -2.837 -2.314 -6.496 1.00 0.00 C ATOM 898 CD2 LEU A 64 -0.809 -1.023 -5.802 1.00 0.00 C ATOM 0 H LEU A 64 -0.862 1.351 -7.542 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.916 -0.565 -8.423 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.514 1.064 -5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.997 0.197 -6.244 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.656 -1.112 -4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.406 -3.201 -6.031 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.924 -2.358 -6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.545 -2.277 -7.546 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.412 -1.930 -5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.460 -0.951 -6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.464 -0.155 -5.240 1.00 0.00 H new ATOM 910 N ASP A 65 -4.318 1.185 -9.508 1.00 0.00 N ATOM 911 CA ASP A 65 -5.211 2.169 -10.111 1.00 0.00 C ATOM 912 C ASP A 65 -6.114 2.799 -9.055 1.00 0.00 C ATOM 913 O ASP A 65 -6.564 3.935 -9.207 1.00 0.00 O ATOM 914 CB ASP A 65 -6.061 1.517 -11.203 1.00 0.00 C ATOM 915 CG ASP A 65 -5.219 0.931 -12.319 1.00 0.00 C ATOM 916 OD1 ASP A 65 -4.925 1.662 -13.289 1.00 0.00 O ATOM 917 OD2 ASP A 65 -4.851 -0.259 -12.224 1.00 0.00 O ATOM 0 H ASP A 65 -4.333 0.269 -9.957 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.600 2.953 -10.558 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.673 0.730 -10.762 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.745 2.258 -11.618 1.00 0.00 H new ATOM 922 N LEU A 66 -6.371 2.049 -7.984 1.00 0.00 N ATOM 923 CA LEU A 66 -7.219 2.521 -6.891 1.00 0.00 C ATOM 924 C LEU A 66 -8.631 2.835 -7.381 1.00 0.00 C ATOM 925 O LEU A 66 -9.450 3.373 -6.638 1.00 0.00 O ATOM 926 CB LEU A 66 -6.602 3.754 -6.227 1.00 0.00 C ATOM 927 CG LEU A 66 -5.289 3.498 -5.481 1.00 0.00 C ATOM 928 CD1 LEU A 66 -4.667 4.809 -5.027 1.00 0.00 C ATOM 929 CD2 LEU A 66 -5.518 2.575 -4.294 1.00 0.00 C ATOM 0 H LEU A 66 -6.002 1.108 -7.850 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.287 1.721 -6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.426 4.510 -6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.325 4.171 -5.526 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.596 3.009 -6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.735 4.606 -4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.463 5.435 -5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.356 5.327 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.573 2.406 -3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.230 3.034 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.915 1.623 -4.645 1.00 0.00 H new ATOM 941 N ASN A 67 -8.906 2.495 -8.636 1.00 0.00 N ATOM 942 CA ASN A 67 -10.220 2.724 -9.221 1.00 0.00 C ATOM 943 C ASN A 67 -11.010 1.421 -9.277 1.00 0.00 C ATOM 944 O ASN A 67 -12.205 1.418 -9.573 1.00 0.00 O ATOM 945 CB ASN A 67 -10.087 3.316 -10.627 1.00 0.00 C ATOM 946 CG ASN A 67 -9.684 4.780 -10.611 1.00 0.00 C ATOM 947 OD1 ASN A 67 -8.925 5.179 -9.597 1.00 0.00 O flip ATOM 948 ND2 ASN A 67 -10.049 5.544 -11.504 1.00 0.00 N flip ATOM 0 H ASN A 67 -8.234 2.059 -9.268 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.756 3.435 -8.592 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.347 2.746 -11.188 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.036 3.210 -11.152 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.632 5.197 -12.266 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.769 6.524 -11.483 1.00 0.00 H new ATOM 955 N THR A 68 -10.329 0.315 -8.989 1.00 0.00 N ATOM 956 CA THR A 68 -10.958 -1.000 -9.002 1.00 0.00 C ATOM 957 C THR A 68 -10.442 -1.870 -7.859 1.00 0.00 C ATOM 958 O THR A 68 -9.917 -2.960 -8.083 1.00 0.00 O ATOM 959 CB THR A 68 -10.710 -1.730 -10.338 1.00 0.00 C ATOM 960 OG1 THR A 68 -9.304 -1.827 -10.590 1.00 0.00 O ATOM 961 CG2 THR A 68 -11.388 -1.001 -11.490 1.00 0.00 C ATOM 0 H THR A 68 -9.339 0.305 -8.743 1.00 0.00 H new ATOM 0 HA THR A 68 -12.029 -0.838 -8.877 1.00 0.00 H new ATOM 0 HB THR A 68 -11.135 -2.731 -10.263 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.887 -2.389 -9.904 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.198 -1.535 -12.421 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.462 -0.956 -11.310 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.990 0.011 -11.565 1.00 0.00 H new ATOM 969 N TYR A 69 -10.589 -1.377 -6.632 1.00 0.00 N ATOM 970 CA TYR A 69 -10.145 -2.112 -5.451 1.00 0.00 C ATOM 971 C TYR A 69 -11.017 -1.783 -4.243 1.00 0.00 C ATOM 972 O TYR A 69 -11.850 -0.877 -4.291 1.00 0.00 O ATOM 973 CB TYR A 69 -8.685 -1.787 -5.120 1.00 0.00 C ATOM 974 CG TYR A 69 -7.674 -2.630 -5.864 1.00 0.00 C ATOM 975 CD1 TYR A 69 -7.242 -3.843 -5.343 1.00 0.00 C ATOM 976 CD2 TYR A 69 -7.146 -2.212 -7.079 1.00 0.00 C ATOM 977 CE1 TYR A 69 -6.314 -4.617 -6.010 1.00 0.00 C ATOM 978 CE2 TYR A 69 -6.216 -2.981 -7.754 1.00 0.00 C ATOM 979 CZ TYR A 69 -5.804 -4.183 -7.216 1.00 0.00 C ATOM 980 OH TYR A 69 -4.879 -4.951 -7.885 1.00 0.00 O ATOM 0 H TYR A 69 -11.012 -0.471 -6.430 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.233 -3.174 -5.678 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.499 -0.737 -5.344 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.530 -1.917 -4.049 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.639 -4.187 -4.399 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.467 -1.272 -7.503 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.989 -5.557 -5.590 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.814 -2.643 -8.698 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.623 -4.503 -8.718 1.00 0.00 H new ATOM 990 N ASN A 70 -10.813 -2.526 -3.160 1.00 0.00 N ATOM 991 CA ASN A 70 -11.564 -2.319 -1.926 1.00 0.00 C ATOM 992 C ASN A 70 -10.643 -2.456 -0.717 1.00 0.00 C ATOM 993 O ASN A 70 -9.892 -3.423 -0.606 1.00 0.00 O ATOM 994 CB ASN A 70 -12.712 -3.325 -1.831 1.00 0.00 C ATOM 995 CG ASN A 70 -13.770 -3.092 -2.892 1.00 0.00 C ATOM 996 OD1 ASN A 70 -14.090 -1.952 -3.225 1.00 0.00 O ATOM 997 ND2 ASN A 70 -14.312 -4.176 -3.436 1.00 0.00 N ATOM 0 H ASN A 70 -10.129 -3.282 -3.112 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.980 -1.312 -1.936 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.316 -4.336 -1.932 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.170 -3.259 -0.844 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.024 -4.082 -4.160 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.016 -5.103 -3.129 1.00 0.00 H new ATOM 1004 N VAL A 71 -10.709 -1.492 0.192 1.00 0.00 N ATOM 1005 CA VAL A 71 -9.864 -1.517 1.381 1.00 0.00 C ATOM 1006 C VAL A 71 -10.602 -2.116 2.572 1.00 0.00 C ATOM 1007 O VAL A 71 -11.758 -1.784 2.834 1.00 0.00 O ATOM 1008 CB VAL A 71 -9.375 -0.104 1.754 1.00 0.00 C ATOM 1009 CG1 VAL A 71 -8.426 -0.165 2.940 1.00 0.00 C ATOM 1010 CG2 VAL A 71 -8.705 0.566 0.565 1.00 0.00 C ATOM 0 H VAL A 71 -11.334 -0.688 0.131 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.003 -2.141 1.140 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.241 0.494 2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.091 0.842 3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.942 -0.599 3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.564 -0.782 2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.368 1.562 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.849 -0.029 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.417 0.646 -0.256 1.00 0.00 H new ATOM 1020 N VAL A 72 -9.919 -3.002 3.290 1.00 0.00 N ATOM 1021 CA VAL A 72 -10.494 -3.655 4.459 1.00 0.00 C ATOM 1022 C VAL A 72 -9.467 -3.756 5.582 1.00 0.00 C ATOM 1023 O VAL A 72 -8.410 -4.364 5.415 1.00 0.00 O ATOM 1024 CB VAL A 72 -11.013 -5.067 4.119 1.00 0.00 C ATOM 1025 CG1 VAL A 72 -12.421 -4.997 3.548 1.00 0.00 C ATOM 1026 CG2 VAL A 72 -10.072 -5.770 3.155 1.00 0.00 C ATOM 0 H VAL A 72 -8.962 -3.285 3.080 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.334 -3.042 4.788 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.048 -5.649 5.040 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.769 -6.003 3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.088 -4.543 4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.416 -4.395 2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.458 -6.764 2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.997 -5.192 2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.085 -5.859 3.609 1.00 0.00 H new ATOM 1036 N LYS A 73 -9.786 -3.160 6.725 1.00 0.00 N ATOM 1037 CA LYS A 73 -8.884 -3.181 7.870 1.00 0.00 C ATOM 1038 C LYS A 73 -8.845 -4.560 8.518 1.00 0.00 C ATOM 1039 O LYS A 73 -9.777 -4.954 9.220 1.00 0.00 O ATOM 1040 CB LYS A 73 -9.311 -2.136 8.903 1.00 0.00 C ATOM 1041 CG LYS A 73 -8.395 -2.072 10.117 1.00 0.00 C ATOM 1042 CD LYS A 73 -8.877 -1.046 11.131 1.00 0.00 C ATOM 1043 CE LYS A 73 -10.205 -1.450 11.752 1.00 0.00 C ATOM 1044 NZ LYS A 73 -10.113 -2.757 12.459 1.00 0.00 N ATOM 0 H LYS A 73 -10.660 -2.658 6.883 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.883 -2.943 7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.339 -1.156 8.427 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.325 -2.358 9.235 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.346 -3.054 10.588 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.384 -1.821 9.797 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.129 -0.930 11.915 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.983 -0.076 10.645 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.527 -0.680 12.453 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.966 -1.511 10.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.951 -2.886 13.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.066 -3.527 11.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.257 -2.773 13.049 1.00 0.00 H new ATOM 1058 N ALA A 74 -7.763 -5.291 8.273 1.00 0.00 N ATOM 1059 CA ALA A 74 -7.595 -6.620 8.846 1.00 0.00 C ATOM 1060 C ALA A 74 -7.209 -6.523 10.323 1.00 0.00 C ATOM 1061 O ALA A 74 -6.176 -5.934 10.662 1.00 0.00 O ATOM 1062 CB ALA A 74 -6.541 -7.400 8.074 1.00 0.00 C ATOM 0 H ALA A 74 -6.990 -4.985 7.682 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.545 -7.150 8.772 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.427 -8.391 8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.851 -7.498 7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.589 -6.870 8.121 1.00 0.00 H new ATOM 1068 N PRO A 75 -8.030 -7.107 11.223 1.00 0.00 N ATOM 1069 CA PRO A 75 -7.776 -7.084 12.665 1.00 0.00 C ATOM 1070 C PRO A 75 -6.667 -8.044 13.071 1.00 0.00 C ATOM 1071 O PRO A 75 -6.396 -9.023 12.376 1.00 0.00 O ATOM 1072 CB PRO A 75 -9.111 -7.523 13.288 1.00 0.00 C ATOM 1073 CG PRO A 75 -10.086 -7.605 12.157 1.00 0.00 C ATOM 1074 CD PRO A 75 -9.273 -7.823 10.916 1.00 0.00 C ATOM 0 HA PRO A 75 -7.445 -6.099 12.995 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -9.010 -8.487 13.787 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.445 -6.808 14.040 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.790 -8.423 12.309 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.672 -6.689 12.082 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.096 -8.882 10.727 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.766 -7.420 10.031 1.00 0.00 H new ATOM 1082 N GLN A 76 -6.027 -7.755 14.201 1.00 0.00 N ATOM 1083 CA GLN A 76 -4.943 -8.592 14.705 1.00 0.00 C ATOM 1084 C GLN A 76 -3.836 -8.724 13.666 1.00 0.00 C ATOM 1085 O GLN A 76 -2.955 -9.575 13.787 1.00 0.00 O ATOM 1086 CB GLN A 76 -5.472 -9.975 15.087 1.00 0.00 C ATOM 1087 CG GLN A 76 -6.632 -9.928 16.066 1.00 0.00 C ATOM 1088 CD GLN A 76 -7.027 -11.301 16.572 1.00 0.00 C ATOM 1089 OE1 GLN A 76 -6.876 -12.301 15.871 1.00 0.00 O ATOM 1090 NE2 GLN A 76 -7.540 -11.356 17.796 1.00 0.00 N ATOM 0 H GLN A 76 -6.241 -6.947 14.785 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.529 -8.115 15.593 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.789 -10.497 14.184 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.661 -10.558 15.524 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.362 -9.297 16.913 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.491 -9.462 15.583 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.647 -10.502 18.343 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.826 -12.253 18.189 1.00 0.00 H new ATOM 1099 N GLY A 77 -3.892 -7.872 12.649 1.00 0.00 N ATOM 1100 CA GLY A 77 -2.896 -7.900 11.595 1.00 0.00 C ATOM 1101 C GLY A 77 -2.799 -9.253 10.923 1.00 0.00 C ATOM 1102 O GLY A 77 -3.651 -10.119 11.126 1.00 0.00 O ATOM 0 H GLY A 77 -4.613 -7.159 12.536 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.141 -7.144 10.849 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.924 -7.634 12.011 1.00 0.00 H new ATOM 1106 N LYS A 78 -1.759 -9.436 10.118 1.00 0.00 N ATOM 1107 CA LYS A 78 -1.549 -10.693 9.415 1.00 0.00 C ATOM 1108 C LYS A 78 -0.065 -11.009 9.296 1.00 0.00 C ATOM 1109 O LYS A 78 0.747 -10.133 9.002 1.00 0.00 O ATOM 1110 CB LYS A 78 -2.184 -10.650 8.026 1.00 0.00 C ATOM 1111 CG LYS A 78 -3.689 -10.852 8.041 1.00 0.00 C ATOM 1112 CD LYS A 78 -4.212 -11.210 6.661 1.00 0.00 C ATOM 1113 CE LYS A 78 -3.797 -12.615 6.251 1.00 0.00 C ATOM 1114 NZ LYS A 78 -4.301 -12.970 4.897 1.00 0.00 N ATOM 0 H LYS A 78 -1.048 -8.728 9.937 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.027 -11.481 9.996 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.959 -9.690 7.562 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.728 -11.420 7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.945 -11.643 8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.177 -9.943 8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.299 -11.134 6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.837 -10.492 5.932 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.710 -12.691 6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.176 -13.332 6.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.997 -13.935 4.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.340 -12.923 4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.919 -12.301 4.198 1.00 0.00 H new ATOM 1128 N ASN A 79 0.273 -12.271 9.517 1.00 0.00 N ATOM 1129 CA ASN A 79 1.659 -12.721 9.443 1.00 0.00 C ATOM 1130 C ASN A 79 2.562 -11.889 10.353 1.00 0.00 C ATOM 1131 O ASN A 79 3.215 -10.947 9.903 1.00 0.00 O ATOM 1132 CB ASN A 79 2.165 -12.654 8.001 1.00 0.00 C ATOM 1133 CG ASN A 79 1.350 -13.519 7.060 1.00 0.00 C ATOM 1134 OD1 ASN A 79 1.653 -14.694 6.859 1.00 0.00 O ATOM 1135 ND2 ASN A 79 0.306 -12.938 6.478 1.00 0.00 N ATOM 0 H ASN A 79 -0.395 -13.006 9.750 1.00 0.00 H new ATOM 0 HA ASN A 79 1.692 -13.755 9.785 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.136 -11.620 7.657 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.207 -12.971 7.970 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.281 -13.470 5.835 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.092 -11.960 6.674 1.00 0.00 H new ATOM 1142 N GLN A 80 2.583 -12.239 11.637 1.00 0.00 N ATOM 1143 CA GLN A 80 3.416 -11.543 12.618 1.00 0.00 C ATOM 1144 C GLN A 80 3.061 -10.060 12.728 1.00 0.00 C ATOM 1145 O GLN A 80 3.843 -9.270 13.259 1.00 0.00 O ATOM 1146 CB GLN A 80 4.894 -11.695 12.252 1.00 0.00 C ATOM 1147 CG GLN A 80 5.418 -13.113 12.410 1.00 0.00 C ATOM 1148 CD GLN A 80 6.888 -13.238 12.058 1.00 0.00 C ATOM 1149 OE1 GLN A 80 7.349 -12.412 11.125 1.00 0.00 O flip ATOM 1150 NE2 GLN A 80 7.603 -14.070 12.617 1.00 0.00 N flip ATOM 0 H GLN A 80 2.031 -13.004 12.025 1.00 0.00 H new ATOM 0 HA GLN A 80 3.226 -12.001 13.589 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.039 -11.376 11.220 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.485 -11.026 12.878 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.266 -13.439 13.439 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.839 -13.783 11.775 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.209 -14.685 13.329 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.590 -14.144 12.369 1.00 0.00 H new ATOM 1159 N LYS A 81 1.886 -9.683 12.234 1.00 0.00 N ATOM 1160 CA LYS A 81 1.451 -8.292 12.291 1.00 0.00 C ATOM 1161 C LYS A 81 0.244 -8.121 13.209 1.00 0.00 C ATOM 1162 O LYS A 81 -0.385 -9.097 13.616 1.00 0.00 O ATOM 1163 CB LYS A 81 1.115 -7.786 10.889 1.00 0.00 C ATOM 1164 CG LYS A 81 2.340 -7.557 10.023 1.00 0.00 C ATOM 1165 CD LYS A 81 3.239 -6.486 10.615 1.00 0.00 C ATOM 1166 CE LYS A 81 4.474 -6.261 9.763 1.00 0.00 C ATOM 1167 NZ LYS A 81 5.314 -5.147 10.283 1.00 0.00 N ATOM 0 H LYS A 81 1.221 -10.318 11.792 1.00 0.00 H new ATOM 0 HA LYS A 81 2.272 -7.704 12.700 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.461 -8.506 10.398 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.557 -6.853 10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.897 -8.489 9.923 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.030 -7.262 9.021 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.683 -5.553 10.705 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.539 -6.777 11.622 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.065 -7.177 9.732 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.173 -6.041 8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.147 -5.026 9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.759 -4.267 10.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.623 -5.368 11.251 1.00 0.00 H new ATOM 1181 N SER A 82 -0.070 -6.868 13.530 1.00 0.00 N ATOM 1182 CA SER A 82 -1.202 -6.552 14.395 1.00 0.00 C ATOM 1183 C SER A 82 -2.157 -5.588 13.699 1.00 0.00 C ATOM 1184 O SER A 82 -3.350 -5.548 14.002 1.00 0.00 O ATOM 1185 CB SER A 82 -0.713 -5.945 15.712 1.00 0.00 C ATOM 1186 OG SER A 82 -1.801 -5.627 16.563 1.00 0.00 O ATOM 0 H SER A 82 0.447 -6.052 13.202 1.00 0.00 H new ATOM 0 HA SER A 82 -1.736 -7.477 14.610 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.048 -6.647 16.214 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.132 -5.046 15.508 1.00 0.00 H new ATOM 0 HG SER A 82 -2.076 -4.699 16.410 1.00 0.00 H new ATOM 1192 N PHE A 83 -1.618 -4.812 12.764 1.00 0.00 N ATOM 1193 CA PHE A 83 -2.409 -3.849 12.005 1.00 0.00 C ATOM 1194 C PHE A 83 -2.184 -4.055 10.510 1.00 0.00 C ATOM 1195 O PHE A 83 -1.131 -3.694 9.983 1.00 0.00 O ATOM 1196 CB PHE A 83 -2.026 -2.419 12.391 1.00 0.00 C ATOM 1197 CG PHE A 83 -1.920 -2.189 13.873 1.00 0.00 C ATOM 1198 CD1 PHE A 83 -2.982 -2.479 14.715 1.00 0.00 C ATOM 1199 CD2 PHE A 83 -0.754 -1.675 14.422 1.00 0.00 C ATOM 1200 CE1 PHE A 83 -2.883 -2.262 16.077 1.00 0.00 C ATOM 1201 CE2 PHE A 83 -0.650 -1.456 15.781 1.00 0.00 C ATOM 1202 CZ PHE A 83 -1.715 -1.750 16.610 1.00 0.00 C ATOM 0 H PHE A 83 -0.630 -4.832 12.512 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.462 -4.006 12.237 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.071 -2.173 11.927 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.766 -1.733 11.980 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.897 -2.879 14.303 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.082 -1.444 13.779 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.717 -2.492 16.723 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.263 -1.055 16.196 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.635 -1.580 17.674 1.00 0.00 H new ATOM 1212 N VAL A 84 -3.166 -4.637 9.824 1.00 0.00 N ATOM 1213 CA VAL A 84 -3.033 -4.892 8.394 1.00 0.00 C ATOM 1214 C VAL A 84 -4.270 -4.457 7.615 1.00 0.00 C ATOM 1215 O VAL A 84 -5.377 -4.443 8.145 1.00 0.00 O ATOM 1216 CB VAL A 84 -2.762 -6.392 8.125 1.00 0.00 C ATOM 1217 CG1 VAL A 84 -2.992 -6.747 6.662 1.00 0.00 C ATOM 1218 CG2 VAL A 84 -1.350 -6.760 8.549 1.00 0.00 C ATOM 0 H VAL A 84 -4.052 -4.937 10.231 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.186 -4.299 8.049 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.469 -6.971 8.720 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.792 -7.808 6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.026 -6.530 6.393 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.323 -6.158 6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.175 -7.818 8.353 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.633 -6.163 7.984 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.227 -6.563 9.614 1.00 0.00 H new ATOM 1228 N PHE A 85 -4.055 -4.083 6.356 1.00 0.00 N ATOM 1229 CA PHE A 85 -5.134 -3.673 5.464 1.00 0.00 C ATOM 1230 C PHE A 85 -5.020 -4.441 4.153 1.00 0.00 C ATOM 1231 O PHE A 85 -3.930 -4.568 3.596 1.00 0.00 O ATOM 1232 CB PHE A 85 -5.085 -2.168 5.197 1.00 0.00 C ATOM 1233 CG PHE A 85 -5.645 -1.330 6.309 1.00 0.00 C ATOM 1234 CD1 PHE A 85 -4.998 -1.248 7.531 1.00 0.00 C ATOM 1235 CD2 PHE A 85 -6.819 -0.618 6.127 1.00 0.00 C ATOM 1236 CE1 PHE A 85 -5.512 -0.469 8.551 1.00 0.00 C ATOM 1237 CE2 PHE A 85 -7.338 0.161 7.142 1.00 0.00 C ATOM 1238 CZ PHE A 85 -6.684 0.236 8.355 1.00 0.00 C ATOM 0 H PHE A 85 -3.130 -4.056 5.927 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.088 -3.897 5.941 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.050 -1.875 5.021 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.637 -1.954 4.282 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.082 -1.798 7.689 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.335 -0.673 5.180 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.998 -0.412 9.499 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.254 0.711 6.987 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.088 0.845 9.150 1.00 0.00 H new ATOM 1248 N ILE A 86 -6.141 -4.950 3.659 1.00 0.00 N ATOM 1249 CA ILE A 86 -6.136 -5.727 2.426 1.00 0.00 C ATOM 1250 C ILE A 86 -6.887 -5.032 1.297 1.00 0.00 C ATOM 1251 O ILE A 86 -7.950 -4.448 1.505 1.00 0.00 O ATOM 1252 CB ILE A 86 -6.766 -7.116 2.649 1.00 0.00 C ATOM 1253 CG1 ILE A 86 -6.044 -7.857 3.774 1.00 0.00 C ATOM 1254 CG2 ILE A 86 -6.730 -7.929 1.361 1.00 0.00 C ATOM 1255 CD1 ILE A 86 -6.721 -9.150 4.176 1.00 0.00 C ATOM 0 H ILE A 86 -7.059 -4.840 4.089 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.090 -5.829 2.137 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.807 -6.981 2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.023 -8.073 3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.978 -7.204 4.645 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.179 -8.907 1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.289 -7.406 0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.696 -8.056 1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.155 -9.623 4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.733 -8.939 4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.763 -9.821 3.318 1.00 0.00 H new ATOM 1267 N LEU A 87 -6.315 -5.098 0.098 1.00 0.00 N ATOM 1268 CA LEU A 87 -6.937 -4.519 -1.083 1.00 0.00 C ATOM 1269 C LEU A 87 -7.623 -5.619 -1.880 1.00 0.00 C ATOM 1270 O LEU A 87 -7.023 -6.658 -2.162 1.00 0.00 O ATOM 1271 CB LEU A 87 -5.901 -3.807 -1.959 1.00 0.00 C ATOM 1272 CG LEU A 87 -5.408 -2.458 -1.427 1.00 0.00 C ATOM 1273 CD1 LEU A 87 -4.394 -1.850 -2.384 1.00 0.00 C ATOM 1274 CD2 LEU A 87 -6.574 -1.506 -1.216 1.00 0.00 C ATOM 0 H LEU A 87 -5.418 -5.549 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.672 -3.780 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.041 -4.465 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.331 -3.653 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.923 -2.625 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.053 -0.892 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.543 -2.523 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.858 -1.699 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.202 -0.554 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.088 -1.344 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.269 -1.936 -0.495 1.00 0.00 H new ATOM 1286 N GLU A 88 -8.877 -5.390 -2.243 1.00 0.00 N ATOM 1287 CA GLU A 88 -9.642 -6.376 -2.990 1.00 0.00 C ATOM 1288 C GLU A 88 -10.040 -5.827 -4.356 1.00 0.00 C ATOM 1289 O GLU A 88 -10.920 -4.972 -4.455 1.00 0.00 O ATOM 1290 CB GLU A 88 -10.888 -6.787 -2.204 1.00 0.00 C ATOM 1291 CG GLU A 88 -10.577 -7.383 -0.839 1.00 0.00 C ATOM 1292 CD GLU A 88 -11.827 -7.770 -0.074 1.00 0.00 C ATOM 1293 OE1 GLU A 88 -12.365 -6.912 0.657 1.00 0.00 O ATOM 1294 OE2 GLU A 88 -12.268 -8.931 -0.205 1.00 0.00 O ATOM 0 H GLU A 88 -9.385 -4.531 -2.032 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.014 -7.254 -3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.529 -5.915 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.453 -7.513 -2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.946 -8.263 -0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.006 -6.663 -0.254 1.00 0.00 H new ATOM 1301 N PRO A 89 -9.399 -6.316 -5.433 1.00 0.00 N ATOM 1302 CA PRO A 89 -9.685 -5.860 -6.794 1.00 0.00 C ATOM 1303 C PRO A 89 -11.153 -6.017 -7.162 1.00 0.00 C ATOM 1304 O PRO A 89 -11.850 -6.881 -6.630 1.00 0.00 O ATOM 1305 CB PRO A 89 -8.813 -6.760 -7.677 1.00 0.00 C ATOM 1306 CG PRO A 89 -8.421 -7.905 -6.805 1.00 0.00 C ATOM 1307 CD PRO A 89 -8.357 -7.354 -5.414 1.00 0.00 C ATOM 0 HA PRO A 89 -9.472 -4.798 -6.913 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.363 -7.103 -8.553 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.936 -6.224 -8.040 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.148 -8.715 -6.872 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.458 -8.316 -7.108 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.560 -8.119 -4.665 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.375 -6.939 -5.187 1.00 0.00 H new ATOM 1315 N LYS A 90 -11.615 -5.175 -8.077 1.00 0.00 N ATOM 1316 CA LYS A 90 -13.000 -5.212 -8.523 1.00 0.00 C ATOM 1317 C LYS A 90 -13.070 -5.442 -10.028 1.00 0.00 C ATOM 1318 O LYS A 90 -14.153 -5.446 -10.615 1.00 0.00 O ATOM 1319 CB LYS A 90 -13.707 -3.904 -8.166 1.00 0.00 C ATOM 1320 CG LYS A 90 -13.597 -3.532 -6.696 1.00 0.00 C ATOM 1321 CD LYS A 90 -14.255 -2.191 -6.408 1.00 0.00 C ATOM 1322 CE LYS A 90 -15.761 -2.249 -6.617 1.00 0.00 C ATOM 1323 NZ LYS A 90 -16.414 -0.943 -6.325 1.00 0.00 N ATOM 0 H LYS A 90 -11.048 -4.456 -8.526 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.501 -6.037 -8.017 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.287 -3.098 -8.768 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.761 -3.986 -8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.065 -4.306 -6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.547 -3.492 -6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.041 -1.893 -5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.826 -1.428 -7.057 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.974 -2.539 -7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.187 -3.019 -5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.439 -1.025 -6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.233 -0.678 -5.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -16.026 -0.212 -6.956 1.00 0.00 H new ATOM 1337 N GLN A 91 -11.908 -5.634 -10.648 1.00 0.00 N ATOM 1338 CA GLN A 91 -11.846 -5.861 -12.089 1.00 0.00 C ATOM 1339 C GLN A 91 -12.595 -7.132 -12.475 1.00 0.00 C ATOM 1340 O GLN A 91 -13.578 -7.082 -13.215 1.00 0.00 O ATOM 1341 CB GLN A 91 -10.391 -5.944 -12.556 1.00 0.00 C ATOM 1342 CG GLN A 91 -10.243 -6.190 -14.050 1.00 0.00 C ATOM 1343 CD GLN A 91 -10.878 -5.099 -14.891 1.00 0.00 C ATOM 1344 OE1 GLN A 91 -10.885 -3.876 -14.373 1.00 0.00 O flip ATOM 1345 NE2 GLN A 91 -11.356 -5.352 -15.998 1.00 0.00 N flip ATOM 0 H GLN A 91 -11.002 -5.637 -10.179 1.00 0.00 H new ATOM 0 HA GLN A 91 -12.327 -5.017 -12.583 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.882 -5.016 -12.297 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.889 -6.745 -12.013 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.184 -6.264 -14.298 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -10.697 -7.148 -14.303 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -11.330 -6.306 -16.359 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -11.778 -4.608 -16.554 1.00 0.00 H new ATOM 1354 N GLN A 92 -12.126 -8.268 -11.972 1.00 0.00 N ATOM 1355 CA GLN A 92 -12.758 -9.550 -12.269 1.00 0.00 C ATOM 1356 C GLN A 92 -12.282 -10.636 -11.308 1.00 0.00 C ATOM 1357 O GLN A 92 -12.986 -10.992 -10.362 1.00 0.00 O ATOM 1358 CB GLN A 92 -12.466 -9.963 -13.712 1.00 0.00 C ATOM 1359 CG GLN A 92 -13.715 -10.297 -14.512 1.00 0.00 C ATOM 1360 CD GLN A 92 -13.403 -10.722 -15.933 1.00 0.00 C ATOM 1361 OE1 GLN A 92 -12.346 -11.291 -16.205 1.00 0.00 O ATOM 1362 NE2 GLN A 92 -14.325 -10.446 -16.849 1.00 0.00 N ATOM 0 H GLN A 92 -11.313 -8.329 -11.359 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.834 -9.431 -12.142 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.930 -9.156 -14.211 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.805 -10.830 -13.707 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.260 -11.096 -14.010 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.371 -9.427 -14.533 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -15.187 -9.973 -16.578 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -14.171 -10.708 -17.823 1.00 0.00 H new ATOM 1371 N GLY A 93 -11.084 -11.159 -11.555 1.00 0.00 N ATOM 1372 CA GLY A 93 -10.538 -12.200 -10.704 1.00 0.00 C ATOM 1373 C GLY A 93 -9.097 -11.934 -10.312 1.00 0.00 C ATOM 1374 O GLY A 93 -8.314 -12.866 -10.128 1.00 0.00 O ATOM 0 H GLY A 93 -10.482 -10.880 -12.330 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.146 -12.285 -9.804 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.600 -13.157 -11.222 1.00 0.00 H new ATOM 1378 N ASP A 94 -8.750 -10.659 -10.187 1.00 0.00 N ATOM 1379 CA ASP A 94 -7.394 -10.266 -9.816 1.00 0.00 C ATOM 1380 C ASP A 94 -7.090 -10.676 -8.375 1.00 0.00 C ATOM 1381 O ASP A 94 -8.004 -10.893 -7.580 1.00 0.00 O ATOM 1382 CB ASP A 94 -7.220 -8.753 -9.980 1.00 0.00 C ATOM 1383 CG ASP A 94 -8.266 -8.146 -10.892 1.00 0.00 C ATOM 1384 OD1 ASP A 94 -9.426 -8.005 -10.453 1.00 0.00 O ATOM 1385 OD2 ASP A 94 -7.924 -7.812 -12.046 1.00 0.00 O ATOM 0 H ASP A 94 -9.389 -9.878 -10.337 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.694 -10.778 -10.476 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.274 -8.276 -9.002 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.228 -8.546 -10.381 1.00 0.00 H new ATOM 1390 N PRO A 95 -5.797 -10.788 -8.020 1.00 0.00 N ATOM 1391 CA PRO A 95 -5.377 -11.178 -6.673 1.00 0.00 C ATOM 1392 C PRO A 95 -5.354 -10.003 -5.693 1.00 0.00 C ATOM 1393 O PRO A 95 -5.183 -8.853 -6.098 1.00 0.00 O ATOM 1394 CB PRO A 95 -3.964 -11.701 -6.905 1.00 0.00 C ATOM 1395 CG PRO A 95 -3.448 -10.883 -8.040 1.00 0.00 C ATOM 1396 CD PRO A 95 -4.638 -10.551 -8.905 1.00 0.00 C ATOM 0 HA PRO A 95 -6.060 -11.899 -6.223 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.345 -11.582 -6.016 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.969 -12.763 -7.150 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.967 -9.975 -7.676 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.698 -11.435 -8.607 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.604 -9.518 -9.251 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.676 -11.184 -9.792 1.00 0.00 H new ATOM 1404 N PRO A 96 -5.530 -10.280 -4.386 1.00 0.00 N ATOM 1405 CA PRO A 96 -5.523 -9.250 -3.348 1.00 0.00 C ATOM 1406 C PRO A 96 -4.108 -8.900 -2.892 1.00 0.00 C ATOM 1407 O PRO A 96 -3.152 -9.602 -3.220 1.00 0.00 O ATOM 1408 CB PRO A 96 -6.300 -9.909 -2.215 1.00 0.00 C ATOM 1409 CG PRO A 96 -5.992 -11.363 -2.348 1.00 0.00 C ATOM 1410 CD PRO A 96 -5.760 -11.624 -3.817 1.00 0.00 C ATOM 0 HA PRO A 96 -5.950 -8.308 -3.693 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.989 -9.524 -1.244 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -7.370 -9.720 -2.305 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.110 -11.627 -1.764 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.816 -11.969 -1.973 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.902 -12.277 -3.976 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.620 -12.110 -4.277 1.00 0.00 H new ATOM 1418 N VAL A 97 -3.981 -7.812 -2.135 1.00 0.00 N ATOM 1419 CA VAL A 97 -2.678 -7.378 -1.637 1.00 0.00 C ATOM 1420 C VAL A 97 -2.756 -6.955 -0.171 1.00 0.00 C ATOM 1421 O VAL A 97 -3.637 -6.189 0.216 1.00 0.00 O ATOM 1422 CB VAL A 97 -2.121 -6.204 -2.468 1.00 0.00 C ATOM 1423 CG1 VAL A 97 -0.724 -5.828 -1.997 1.00 0.00 C ATOM 1424 CG2 VAL A 97 -2.115 -6.551 -3.950 1.00 0.00 C ATOM 0 H VAL A 97 -4.761 -7.217 -1.854 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.007 -8.232 -1.729 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.773 -5.342 -2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.349 -4.998 -2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.761 -5.531 -0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.060 -6.685 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.719 -5.710 -4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.490 -7.428 -4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.132 -6.764 -4.278 1.00 0.00 H new ATOM 1434 N GLU A 98 -1.828 -7.459 0.640 1.00 0.00 N ATOM 1435 CA GLU A 98 -1.795 -7.134 2.062 1.00 0.00 C ATOM 1436 C GLU A 98 -0.769 -6.043 2.357 1.00 0.00 C ATOM 1437 O GLU A 98 0.311 -6.013 1.766 1.00 0.00 O ATOM 1438 CB GLU A 98 -1.464 -8.380 2.886 1.00 0.00 C ATOM 1439 CG GLU A 98 -2.584 -9.405 2.932 1.00 0.00 C ATOM 1440 CD GLU A 98 -2.956 -9.935 1.560 1.00 0.00 C ATOM 1441 OE1 GLU A 98 -2.279 -10.870 1.083 1.00 0.00 O ATOM 1442 OE2 GLU A 98 -3.923 -9.416 0.965 1.00 0.00 O ATOM 0 H GLU A 98 -1.090 -8.094 0.336 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.783 -6.766 2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.572 -8.850 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.221 -8.076 3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.282 -10.237 3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.463 -8.955 3.393 1.00 0.00 H new ATOM 1449 N PHE A 99 -1.119 -5.148 3.275 1.00 0.00 N ATOM 1450 CA PHE A 99 -0.232 -4.054 3.666 1.00 0.00 C ATOM 1451 C PHE A 99 -0.113 -3.982 5.186 1.00 0.00 C ATOM 1452 O PHE A 99 -0.980 -4.476 5.905 1.00 0.00 O ATOM 1453 CB PHE A 99 -0.757 -2.721 3.134 1.00 0.00 C ATOM 1454 CG PHE A 99 -0.902 -2.661 1.640 1.00 0.00 C ATOM 1455 CD1 PHE A 99 -1.959 -3.294 1.007 1.00 0.00 C ATOM 1456 CD2 PHE A 99 0.012 -1.960 0.871 1.00 0.00 C ATOM 1457 CE1 PHE A 99 -2.100 -3.231 -0.365 1.00 0.00 C ATOM 1458 CE2 PHE A 99 -0.123 -1.894 -0.502 1.00 0.00 C ATOM 1459 CZ PHE A 99 -1.181 -2.530 -1.122 1.00 0.00 C ATOM 0 H PHE A 99 -2.014 -5.158 3.765 1.00 0.00 H new ATOM 0 HA PHE A 99 0.751 -4.247 3.237 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.727 -2.519 3.589 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.083 -1.926 3.453 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.681 -3.843 1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.840 -1.459 1.351 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.928 -3.730 -0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.598 -1.346 -1.090 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.290 -2.479 -2.195 1.00 0.00 H new ATOM 1469 N ALA A 100 0.960 -3.363 5.674 1.00 0.00 N ATOM 1470 CA ALA A 100 1.167 -3.233 7.114 1.00 0.00 C ATOM 1471 C ALA A 100 2.131 -2.098 7.447 1.00 0.00 C ATOM 1472 O ALA A 100 2.875 -1.625 6.588 1.00 0.00 O ATOM 1473 CB ALA A 100 1.682 -4.542 7.692 1.00 0.00 C ATOM 0 H ALA A 100 1.693 -2.947 5.099 1.00 0.00 H new ATOM 0 HA ALA A 100 0.204 -2.994 7.565 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.832 -4.431 8.766 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.955 -5.333 7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.629 -4.801 7.218 1.00 0.00 H new ATOM 1479 N THR A 101 2.103 -1.664 8.705 1.00 0.00 N ATOM 1480 CA THR A 101 2.972 -0.591 9.174 1.00 0.00 C ATOM 1481 C THR A 101 3.580 -0.942 10.527 1.00 0.00 C ATOM 1482 O THR A 101 3.412 -2.057 11.021 1.00 0.00 O ATOM 1483 CB THR A 101 2.211 0.743 9.299 1.00 0.00 C ATOM 1484 OG1 THR A 101 1.040 0.567 10.106 1.00 0.00 O ATOM 1485 CG2 THR A 101 1.816 1.277 7.931 1.00 0.00 C ATOM 0 H THR A 101 1.483 -2.043 9.421 1.00 0.00 H new ATOM 0 HA THR A 101 3.763 -0.476 8.433 1.00 0.00 H new ATOM 0 HB THR A 101 2.873 1.467 9.773 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.262 0.733 11.046 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.280 2.219 8.049 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.712 1.441 7.332 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.172 0.554 7.430 1.00 0.00 H new ATOM 1493 N ASP A 102 4.287 0.013 11.121 1.00 0.00 N ATOM 1494 CA ASP A 102 4.917 -0.200 12.420 1.00 0.00 C ATOM 1495 C ASP A 102 4.450 0.846 13.426 1.00 0.00 C ATOM 1496 O ASP A 102 4.964 0.921 14.543 1.00 0.00 O ATOM 1497 CB ASP A 102 6.440 -0.151 12.286 1.00 0.00 C ATOM 1498 CG ASP A 102 6.977 -1.248 11.388 1.00 0.00 C ATOM 1499 OD1 ASP A 102 7.282 -2.344 11.905 1.00 0.00 O ATOM 1500 OD2 ASP A 102 7.092 -1.014 10.167 1.00 0.00 O ATOM 0 H ASP A 102 4.438 0.941 10.725 1.00 0.00 H new ATOM 0 HA ASP A 102 4.623 -1.185 12.782 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.736 0.819 11.887 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.892 -0.240 13.274 1.00 0.00 H new ATOM 1505 N ARG A 103 3.469 1.649 13.025 1.00 0.00 N ATOM 1506 CA ARG A 103 2.930 2.694 13.887 1.00 0.00 C ATOM 1507 C ARG A 103 1.441 2.893 13.634 1.00 0.00 C ATOM 1508 O ARG A 103 0.919 2.502 12.590 1.00 0.00 O ATOM 1509 CB ARG A 103 3.671 4.013 13.660 1.00 0.00 C ATOM 1510 CG ARG A 103 5.151 3.951 13.997 1.00 0.00 C ATOM 1511 CD ARG A 103 5.823 5.299 13.799 1.00 0.00 C ATOM 1512 NE ARG A 103 5.296 6.313 14.710 1.00 0.00 N ATOM 1513 CZ ARG A 103 5.743 7.565 14.758 1.00 0.00 C ATOM 1514 NH1 ARG A 103 6.718 7.956 13.949 1.00 0.00 N ATOM 1515 NH2 ARG A 103 5.214 8.427 15.615 1.00 0.00 N ATOM 0 H ARG A 103 3.030 1.595 12.106 1.00 0.00 H new ATOM 0 HA ARG A 103 3.071 2.379 14.921 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.558 4.308 12.617 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.203 4.791 14.264 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.277 3.629 15.031 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.638 3.205 13.369 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.897 5.195 13.955 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.680 5.627 12.769 1.00 0.00 H new ATOM 0 HE ARG A 103 4.543 6.046 15.344 1.00 0.00 H new ATOM 0 HH11 ARG A 103 7.127 7.296 13.288 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.059 8.917 13.988 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.463 8.131 16.239 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.558 9.387 15.651 1.00 0.00 H new ATOM 1529 N VAL A 104 0.762 3.506 14.599 1.00 0.00 N ATOM 1530 CA VAL A 104 -0.668 3.763 14.483 1.00 0.00 C ATOM 1531 C VAL A 104 -0.940 4.969 13.588 1.00 0.00 C ATOM 1532 O VAL A 104 -1.942 5.009 12.875 1.00 0.00 O ATOM 1533 CB VAL A 104 -1.311 4.002 15.863 1.00 0.00 C ATOM 1534 CG1 VAL A 104 -1.302 2.720 16.683 1.00 0.00 C ATOM 1535 CG2 VAL A 104 -0.596 5.123 16.601 1.00 0.00 C ATOM 0 H VAL A 104 1.180 3.834 15.470 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.113 2.875 14.034 1.00 0.00 H new ATOM 0 HB VAL A 104 -2.348 4.304 15.714 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.760 2.906 17.655 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.866 1.949 16.158 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.274 2.386 16.824 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.065 5.276 17.573 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.451 4.856 16.742 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.661 6.042 16.018 1.00 0.00 H new ATOM 1545 N GLU A 105 -0.042 5.949 13.632 1.00 0.00 N ATOM 1546 CA GLU A 105 -0.186 7.154 12.822 1.00 0.00 C ATOM 1547 C GLU A 105 0.055 6.848 11.349 1.00 0.00 C ATOM 1548 O GLU A 105 -0.748 7.215 10.493 1.00 0.00 O ATOM 1549 CB GLU A 105 0.785 8.236 13.298 1.00 0.00 C ATOM 1550 CG GLU A 105 0.551 8.677 14.734 1.00 0.00 C ATOM 1551 CD GLU A 105 1.513 9.762 15.175 1.00 0.00 C ATOM 1552 OE1 GLU A 105 1.191 10.954 14.984 1.00 0.00 O ATOM 1553 OE2 GLU A 105 2.588 9.421 15.711 1.00 0.00 O ATOM 0 H GLU A 105 0.792 5.932 14.219 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.206 7.520 12.937 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.805 7.864 13.203 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.700 9.103 12.642 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.472 9.040 14.837 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.652 7.816 15.395 1.00 0.00 H new ATOM 1560 N GLU A 106 1.167 6.177 11.059 1.00 0.00 N ATOM 1561 CA GLU A 106 1.501 5.817 9.685 1.00 0.00 C ATOM 1562 C GLU A 106 0.404 4.945 9.089 1.00 0.00 C ATOM 1563 O GLU A 106 0.134 4.997 7.889 1.00 0.00 O ATOM 1564 CB GLU A 106 2.836 5.069 9.636 1.00 0.00 C ATOM 1565 CG GLU A 106 3.972 5.798 10.330 1.00 0.00 C ATOM 1566 CD GLU A 106 4.273 7.145 9.703 1.00 0.00 C ATOM 1567 OE1 GLU A 106 5.101 7.193 8.768 1.00 0.00 O ATOM 1568 OE2 GLU A 106 3.682 8.152 10.145 1.00 0.00 O ATOM 0 H GLU A 106 1.849 5.873 11.754 1.00 0.00 H new ATOM 0 HA GLU A 106 1.588 6.734 9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.710 4.089 10.097 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.108 4.899 8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.719 5.939 11.381 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.868 5.179 10.298 1.00 0.00 H new ATOM 1575 N LEU A 107 -0.223 4.144 9.944 1.00 0.00 N ATOM 1576 CA LEU A 107 -1.296 3.256 9.520 1.00 0.00 C ATOM 1577 C LEU A 107 -2.511 4.061 9.077 1.00 0.00 C ATOM 1578 O LEU A 107 -2.987 3.923 7.952 1.00 0.00 O ATOM 1579 CB LEU A 107 -1.693 2.324 10.667 1.00 0.00 C ATOM 1580 CG LEU A 107 -2.694 1.230 10.296 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -1.970 -0.075 10.021 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -3.723 1.043 11.400 1.00 0.00 C ATOM 0 H LEU A 107 -0.004 4.093 10.939 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.937 2.662 8.679 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.792 1.853 11.060 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.116 2.924 11.473 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.217 1.537 9.391 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.695 -0.845 9.758 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.272 0.063 9.195 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.422 -0.382 10.912 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.425 0.260 11.114 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.218 0.759 12.323 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.264 1.976 11.555 1.00 0.00 H new ATOM 1594 N PHE A 108 -2.998 4.908 9.973 1.00 0.00 N ATOM 1595 CA PHE A 108 -4.165 5.736 9.697 1.00 0.00 C ATOM 1596 C PHE A 108 -3.891 6.742 8.583 1.00 0.00 C ATOM 1597 O PHE A 108 -4.802 7.144 7.869 1.00 0.00 O ATOM 1598 CB PHE A 108 -4.592 6.473 10.967 1.00 0.00 C ATOM 1599 CG PHE A 108 -5.928 6.037 11.495 1.00 0.00 C ATOM 1600 CD1 PHE A 108 -7.093 6.654 11.066 1.00 0.00 C ATOM 1601 CD2 PHE A 108 -6.020 5.009 12.420 1.00 0.00 C ATOM 1602 CE1 PHE A 108 -8.324 6.254 11.550 1.00 0.00 C ATOM 1603 CE2 PHE A 108 -7.249 4.605 12.908 1.00 0.00 C ATOM 1604 CZ PHE A 108 -8.402 5.228 12.473 1.00 0.00 C ATOM 0 H PHE A 108 -2.601 5.041 10.903 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.969 5.079 9.365 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.838 6.317 11.738 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.623 7.543 10.763 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.038 7.456 10.345 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -5.122 4.518 12.764 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -9.224 6.743 11.207 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -7.307 3.803 13.629 1.00 0.00 H new ATOM 0 HZ PHE A 108 -9.363 4.914 12.853 1.00 0.00 H new ATOM 1614 N GLU A 109 -2.635 7.137 8.428 1.00 0.00 N ATOM 1615 CA GLU A 109 -2.266 8.116 7.411 1.00 0.00 C ATOM 1616 C GLU A 109 -2.254 7.511 6.005 1.00 0.00 C ATOM 1617 O GLU A 109 -2.973 7.966 5.114 1.00 0.00 O ATOM 1618 CB GLU A 109 -0.888 8.699 7.733 1.00 0.00 C ATOM 1619 CG GLU A 109 -0.410 9.738 6.732 1.00 0.00 C ATOM 1620 CD GLU A 109 -1.293 10.969 6.701 1.00 0.00 C ATOM 1621 OE1 GLU A 109 -1.024 11.912 7.475 1.00 0.00 O ATOM 1622 OE2 GLU A 109 -2.253 10.991 5.902 1.00 0.00 O ATOM 0 H GLU A 109 -1.855 6.797 8.991 1.00 0.00 H new ATOM 0 HA GLU A 109 -3.019 8.904 7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.918 9.151 8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.162 7.887 7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.610 10.033 6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.380 9.292 5.738 1.00 0.00 H new ATOM 1629 N TRP A 110 -1.446 6.475 5.822 1.00 0.00 N ATOM 1630 CA TRP A 110 -1.311 5.821 4.525 1.00 0.00 C ATOM 1631 C TRP A 110 -2.572 5.068 4.109 1.00 0.00 C ATOM 1632 O TRP A 110 -2.971 5.113 2.946 1.00 0.00 O ATOM 1633 CB TRP A 110 -0.127 4.855 4.548 1.00 0.00 C ATOM 1634 CG TRP A 110 1.163 5.485 4.124 1.00 0.00 C ATOM 1635 CD1 TRP A 110 2.131 6.001 4.936 1.00 0.00 C ATOM 1636 CD2 TRP A 110 1.627 5.663 2.782 1.00 0.00 C ATOM 1637 NE1 TRP A 110 3.169 6.489 4.180 1.00 0.00 N ATOM 1638 CE2 TRP A 110 2.883 6.293 2.855 1.00 0.00 C ATOM 1639 CE3 TRP A 110 1.102 5.349 1.524 1.00 0.00 C ATOM 1640 CZ2 TRP A 110 3.619 6.615 1.720 1.00 0.00 C ATOM 1641 CZ3 TRP A 110 1.836 5.671 0.398 1.00 0.00 C ATOM 1642 CH2 TRP A 110 3.083 6.298 0.503 1.00 0.00 C ATOM 0 H TRP A 110 -0.871 6.067 6.559 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.144 6.609 3.790 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.013 4.455 5.556 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.343 4.011 3.893 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.087 6.023 6.015 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.015 6.926 4.546 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.141 4.864 1.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.581 7.099 1.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.441 5.435 -0.579 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.633 6.536 -0.396 1.00 0.00 H new ATOM 1653 N PHE A 111 -3.198 4.381 5.056 1.00 0.00 N ATOM 1654 CA PHE A 111 -4.389 3.594 4.757 1.00 0.00 C ATOM 1655 C PHE A 111 -5.630 4.458 4.555 1.00 0.00 C ATOM 1656 O PHE A 111 -6.519 4.089 3.787 1.00 0.00 O ATOM 1657 CB PHE A 111 -4.594 2.534 5.836 1.00 0.00 C ATOM 1658 CG PHE A 111 -3.558 1.453 5.740 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -3.371 0.777 4.546 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -2.757 1.131 6.820 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -2.405 -0.200 4.432 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -1.791 0.148 6.712 1.00 0.00 C ATOM 1663 CZ PHE A 111 -1.613 -0.516 5.517 1.00 0.00 C ATOM 0 H PHE A 111 -2.904 4.352 6.032 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.229 3.091 3.804 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.547 3.000 6.820 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.588 2.098 5.737 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.989 1.018 3.694 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.887 1.652 7.757 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.268 -0.718 3.494 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.176 -0.100 7.564 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.856 -1.281 5.430 1.00 0.00 H new ATOM 1673 N GLN A 112 -5.707 5.600 5.232 1.00 0.00 N ATOM 1674 CA GLN A 112 -6.852 6.486 5.053 1.00 0.00 C ATOM 1675 C GLN A 112 -6.790 7.106 3.663 1.00 0.00 C ATOM 1676 O GLN A 112 -7.819 7.364 3.039 1.00 0.00 O ATOM 1677 CB GLN A 112 -6.880 7.577 6.128 1.00 0.00 C ATOM 1678 CG GLN A 112 -8.197 8.333 6.211 1.00 0.00 C ATOM 1679 CD GLN A 112 -8.378 9.343 5.095 1.00 0.00 C ATOM 1680 OE1 GLN A 112 -9.501 9.624 4.678 1.00 0.00 O ATOM 1681 NE2 GLN A 112 -7.273 9.898 4.610 1.00 0.00 N ATOM 0 H GLN A 112 -5.006 5.929 5.896 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.769 5.905 5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -6.672 7.123 7.097 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -6.077 8.287 5.930 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -9.020 7.619 6.183 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.253 8.847 7.170 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -6.362 9.635 4.987 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -7.335 10.588 3.861 1.00 0.00 H new ATOM 1690 N SER A 113 -5.567 7.337 3.182 1.00 0.00 N ATOM 1691 CA SER A 113 -5.361 7.900 1.852 1.00 0.00 C ATOM 1692 C SER A 113 -5.772 6.890 0.785 1.00 0.00 C ATOM 1693 O SER A 113 -6.472 7.231 -0.167 1.00 0.00 O ATOM 1694 CB SER A 113 -3.896 8.301 1.660 1.00 0.00 C ATOM 1695 OG SER A 113 -3.691 8.885 0.386 1.00 0.00 O ATOM 0 H SER A 113 -4.707 7.142 3.695 1.00 0.00 H new ATOM 0 HA SER A 113 -5.981 8.791 1.753 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.604 9.006 2.438 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.258 7.424 1.768 1.00 0.00 H new ATOM 0 HG SER A 113 -2.865 9.412 0.397 1.00 0.00 H new ATOM 1701 N ILE A 114 -5.325 5.643 0.945 1.00 0.00 N ATOM 1702 CA ILE A 114 -5.677 4.589 0.001 1.00 0.00 C ATOM 1703 C ILE A 114 -7.194 4.468 -0.080 1.00 0.00 C ATOM 1704 O ILE A 114 -7.754 4.181 -1.139 1.00 0.00 O ATOM 1705 CB ILE A 114 -5.069 3.224 0.401 1.00 0.00 C ATOM 1706 CG1 ILE A 114 -3.537 3.281 0.335 1.00 0.00 C ATOM 1707 CG2 ILE A 114 -5.605 2.119 -0.501 1.00 0.00 C ATOM 1708 CD1 ILE A 114 -2.855 1.972 0.696 1.00 0.00 C ATOM 0 H ILE A 114 -4.724 5.343 1.713 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.266 4.861 -0.971 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.360 3.001 1.427 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.237 3.570 -0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.183 4.061 1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.168 1.165 -0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.690 2.066 -0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.342 2.335 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.774 2.093 0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.123 1.691 1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.178 1.191 0.007 1.00 0.00 H new ATOM 1720 N ARG A 115 -7.849 4.698 1.055 1.00 0.00 N ATOM 1721 CA ARG A 115 -9.302 4.642 1.135 1.00 0.00 C ATOM 1722 C ARG A 115 -9.912 5.899 0.521 1.00 0.00 C ATOM 1723 O ARG A 115 -11.004 5.864 -0.048 1.00 0.00 O ATOM 1724 CB ARG A 115 -9.748 4.513 2.595 1.00 0.00 C ATOM 1725 CG ARG A 115 -9.509 3.136 3.191 1.00 0.00 C ATOM 1726 CD ARG A 115 -10.081 3.036 4.595 1.00 0.00 C ATOM 1727 NE ARG A 115 -9.920 1.701 5.163 1.00 0.00 N ATOM 1728 CZ ARG A 115 -10.659 1.231 6.163 1.00 0.00 C ATOM 1729 NH1 ARG A 115 -11.605 1.986 6.707 1.00 0.00 N ATOM 1730 NH2 ARG A 115 -10.453 0.003 6.622 1.00 0.00 N ATOM 0 H ARG A 115 -7.390 4.926 1.937 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.646 3.770 0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.219 5.254 3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.810 4.748 2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.966 2.378 2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.439 2.929 3.216 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -9.588 3.765 5.239 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.140 3.294 4.573 1.00 0.00 H new ATOM 0 HE ARG A 115 -9.200 1.095 4.770 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -11.767 2.931 6.358 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -12.170 1.622 7.474 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -9.727 -0.581 6.207 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -11.021 -0.357 7.389 1.00 0.00 H new ATOM 1744 N GLU A 116 -9.187 7.007 0.639 1.00 0.00 N ATOM 1745 CA GLU A 116 -9.638 8.287 0.107 1.00 0.00 C ATOM 1746 C GLU A 116 -9.846 8.222 -1.404 1.00 0.00 C ATOM 1747 O GLU A 116 -10.549 9.053 -1.977 1.00 0.00 O ATOM 1748 CB GLU A 116 -8.622 9.378 0.448 1.00 0.00 C ATOM 1749 CG GLU A 116 -8.875 10.040 1.790 1.00 0.00 C ATOM 1750 CD GLU A 116 -10.234 10.708 1.865 1.00 0.00 C ATOM 1751 OE1 GLU A 116 -10.347 11.874 1.432 1.00 0.00 O ATOM 1752 OE2 GLU A 116 -11.184 10.066 2.358 1.00 0.00 O ATOM 0 H GLU A 116 -8.279 7.043 1.102 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.597 8.524 0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.622 8.945 0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.641 10.138 -0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -8.798 9.293 2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.099 10.782 1.977 1.00 0.00 H new ATOM 1759 N ILE A 117 -9.231 7.231 -2.042 1.00 0.00 N ATOM 1760 CA ILE A 117 -9.347 7.070 -3.488 1.00 0.00 C ATOM 1761 C ILE A 117 -10.207 5.860 -3.851 1.00 0.00 C ATOM 1762 O ILE A 117 -10.902 5.868 -4.867 1.00 0.00 O ATOM 1763 CB ILE A 117 -7.959 6.925 -4.140 1.00 0.00 C ATOM 1764 CG1 ILE A 117 -7.089 8.136 -3.792 1.00 0.00 C ATOM 1765 CG2 ILE A 117 -8.093 6.774 -5.649 1.00 0.00 C ATOM 1766 CD1 ILE A 117 -5.642 7.993 -4.215 1.00 0.00 C ATOM 0 H ILE A 117 -8.649 6.530 -1.583 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.831 7.969 -3.870 1.00 0.00 H new ATOM 0 HB ILE A 117 -7.478 6.027 -3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.510 9.022 -4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.128 8.302 -2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.103 6.673 -6.094 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -8.685 5.887 -5.875 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -8.587 7.654 -6.060 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -5.090 8.890 -3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -5.202 7.127 -3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.590 7.859 -5.295 1.00 0.00 H new ATOM 1778 N THR A 118 -10.161 4.825 -3.017 1.00 0.00 N ATOM 1779 CA THR A 118 -10.936 3.612 -3.263 1.00 0.00 C ATOM 1780 C THR A 118 -12.228 3.606 -2.452 1.00 0.00 C ATOM 1781 O THR A 118 -13.324 3.600 -3.012 1.00 0.00 O ATOM 1782 CB THR A 118 -10.127 2.348 -2.919 1.00 0.00 C ATOM 1783 OG1 THR A 118 -9.697 2.398 -1.554 1.00 0.00 O ATOM 1784 CG2 THR A 118 -8.918 2.212 -3.831 1.00 0.00 C ATOM 0 H THR A 118 -9.597 4.801 -2.167 1.00 0.00 H new ATOM 0 HA THR A 118 -11.177 3.605 -4.326 1.00 0.00 H new ATOM 0 HB THR A 118 -10.772 1.481 -3.066 1.00 0.00 H new ATOM 0 HG1 THR A 118 -8.985 3.065 -1.459 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.363 1.312 -3.568 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.250 2.144 -4.867 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.273 3.083 -3.713 1.00 0.00 H new ATOM 1792 N TRP A 119 -12.084 3.605 -1.131 1.00 0.00 N ATOM 1793 CA TRP A 119 -13.231 3.598 -0.229 1.00 0.00 C ATOM 1794 C TRP A 119 -14.189 4.742 -0.551 1.00 0.00 C ATOM 1795 O TRP A 119 -15.386 4.659 -0.277 1.00 0.00 O ATOM 1796 CB TRP A 119 -12.749 3.696 1.220 1.00 0.00 C ATOM 1797 CG TRP A 119 -13.851 3.847 2.221 1.00 0.00 C ATOM 1798 CD1 TRP A 119 -14.056 4.908 3.053 1.00 0.00 C ATOM 1799 CD2 TRP A 119 -14.897 2.909 2.498 1.00 0.00 C ATOM 1800 NE1 TRP A 119 -15.163 4.688 3.833 1.00 0.00 N ATOM 1801 CE2 TRP A 119 -15.699 3.469 3.511 1.00 0.00 C ATOM 1802 CE3 TRP A 119 -15.235 1.652 1.988 1.00 0.00 C ATOM 1803 CZ2 TRP A 119 -16.816 2.815 4.023 1.00 0.00 C ATOM 1804 CZ3 TRP A 119 -16.344 1.003 2.498 1.00 0.00 C ATOM 1805 CH2 TRP A 119 -17.124 1.585 3.506 1.00 0.00 C ATOM 0 H TRP A 119 -11.180 3.609 -0.659 1.00 0.00 H new ATOM 0 HA TRP A 119 -13.773 2.662 -0.364 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.173 2.803 1.461 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -12.072 4.545 1.310 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.437 5.792 3.092 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -15.528 5.328 4.538 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -14.641 1.196 1.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -17.418 3.262 4.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -16.614 0.031 2.113 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -17.985 1.053 3.883 1.00 0.00 H new