USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=19 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 144:sc= 0.969 USER MOD Set 1.2: A 31 HIS : no HE2:sc= -0.335 K(o=0.63,f=-2.7!) USER MOD Single : A 14 GLN : amide:sc= -1.29 K(o=-1.3,f=-5.4!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -106:sc= -0.288 (180deg=-3.78!) USER MOD Single : A 23 SER OG : rot 180:sc=0.000799 USER MOD Single : A 26 GLN : amide:sc= -0.866 K(o=-0.87,f=-1.5!) USER MOD Single : A 27 LYS NZ :NH3+ -119:sc= -0.893 (180deg=-1.59) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= -1.07 USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= 0.362 (180deg=0.308) USER MOD Single : A 41 SER OG : rot 32:sc= 0.0631 USER MOD Single : A 43 SER OG : rot -64:sc= -0.591 USER MOD Single : A 67 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.0046) USER MOD Single : A 68 THR OG1 : rot 10:sc= -0.555 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.57! K(o=-1.6!,f=-0.18) USER MOD Single : A 73 LYS NZ :NH3+ -135:sc= -0.0924 (180deg=-0.468) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 78 LYS NZ :NH3+ 166:sc= -1.68! (180deg=-2.46!) USER MOD Single : A 79 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.049) USER MOD Single : A 80 GLN : amide:sc= -1.02 K(o=-1,f=-5.5!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 92:sc= 0.532 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.039) USER MOD Single : A 92 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.01) USER MOD Single : A 101 THR OG1 : rot 120:sc= 0.29 USER MOD Single : A 112 GLN : amide:sc= -3.67 K(o=-3.7,f=-7.5!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot -69:sc= -0.985 USER MOD ----------------------------------------------------------------- ATOM 112 N GLN A 14 0.729 12.049 -1.406 1.00 0.00 N ATOM 113 CA GLN A 14 1.143 11.179 -0.316 1.00 0.00 C ATOM 114 C GLN A 14 2.132 10.125 -0.807 1.00 0.00 C ATOM 115 O GLN A 14 1.765 9.213 -1.550 1.00 0.00 O ATOM 116 CB GLN A 14 -0.082 10.510 0.311 1.00 0.00 C ATOM 117 CG GLN A 14 0.254 9.323 1.198 1.00 0.00 C ATOM 118 CD GLN A 14 0.970 9.719 2.476 1.00 0.00 C ATOM 119 OE1 GLN A 14 1.697 10.712 2.515 1.00 0.00 O ATOM 120 NE2 GLN A 14 0.770 8.938 3.531 1.00 0.00 N ATOM 0 HA GLN A 14 1.643 11.785 0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.626 11.249 0.899 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.751 10.180 -0.484 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.665 8.795 1.452 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.878 8.625 0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.159 8.125 3.455 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.227 9.152 4.418 1.00 0.00 H new ATOM 129 N GLN A 15 3.385 10.257 -0.386 1.00 0.00 N ATOM 130 CA GLN A 15 4.430 9.317 -0.773 1.00 0.00 C ATOM 131 C GLN A 15 5.425 9.114 0.364 1.00 0.00 C ATOM 132 O GLN A 15 5.679 10.026 1.150 1.00 0.00 O ATOM 133 CB GLN A 15 5.159 9.808 -2.024 1.00 0.00 C ATOM 134 CG GLN A 15 5.287 11.316 -2.097 1.00 0.00 C ATOM 135 CD GLN A 15 6.090 11.778 -3.297 1.00 0.00 C ATOM 136 OE1 GLN A 15 7.311 11.921 -3.224 1.00 0.00 O ATOM 137 NE2 GLN A 15 5.407 12.015 -4.411 1.00 0.00 N ATOM 0 H GLN A 15 3.702 11.009 0.226 1.00 0.00 H new ATOM 0 HA GLN A 15 3.956 8.361 -0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.155 9.365 -2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.628 9.453 -2.907 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.292 11.759 -2.138 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.761 11.681 -1.186 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.396 11.883 -4.427 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.894 12.329 -5.251 1.00 0.00 H new ATOM 146 N GLY A 16 5.984 7.912 0.444 1.00 0.00 N ATOM 147 CA GLY A 16 6.943 7.608 1.490 1.00 0.00 C ATOM 148 C GLY A 16 7.365 6.151 1.488 1.00 0.00 C ATOM 149 O GLY A 16 7.868 5.646 0.484 1.00 0.00 O ATOM 0 H GLY A 16 5.790 7.142 -0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.824 8.238 1.365 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.509 7.856 2.459 1.00 0.00 H new ATOM 153 N GLU A 17 7.155 5.474 2.613 1.00 0.00 N ATOM 154 CA GLU A 17 7.524 4.068 2.737 1.00 0.00 C ATOM 155 C GLU A 17 6.374 3.246 3.312 1.00 0.00 C ATOM 156 O GLU A 17 5.590 3.737 4.125 1.00 0.00 O ATOM 157 CB GLU A 17 8.761 3.926 3.625 1.00 0.00 C ATOM 158 CG GLU A 17 9.955 4.729 3.134 1.00 0.00 C ATOM 159 CD GLU A 17 11.155 4.612 4.052 1.00 0.00 C ATOM 160 OE1 GLU A 17 11.186 5.317 5.082 1.00 0.00 O ATOM 161 OE2 GLU A 17 12.066 3.816 3.740 1.00 0.00 O ATOM 0 H GLU A 17 6.732 5.875 3.450 1.00 0.00 H new ATOM 0 HA GLU A 17 7.750 3.688 1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.511 4.244 4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.039 2.874 3.681 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.231 4.388 2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.671 5.778 3.046 1.00 0.00 H new ATOM 168 N LEU A 18 6.282 1.990 2.881 1.00 0.00 N ATOM 169 CA LEU A 18 5.233 1.091 3.351 1.00 0.00 C ATOM 170 C LEU A 18 5.704 -0.359 3.313 1.00 0.00 C ATOM 171 O LEU A 18 6.716 -0.678 2.687 1.00 0.00 O ATOM 172 CB LEU A 18 3.971 1.249 2.497 1.00 0.00 C ATOM 173 CG LEU A 18 2.813 1.988 3.174 1.00 0.00 C ATOM 174 CD1 LEU A 18 1.628 2.094 2.227 1.00 0.00 C ATOM 175 CD2 LEU A 18 2.405 1.283 4.460 1.00 0.00 C ATOM 0 H LEU A 18 6.923 1.572 2.206 1.00 0.00 H new ATOM 0 HA LEU A 18 5.000 1.355 4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.235 1.780 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.625 0.258 2.202 1.00 0.00 H new ATOM 0 HG LEU A 18 3.147 2.994 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.813 2.622 2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.925 2.642 1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.296 1.094 1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.581 1.824 4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.088 0.265 4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.253 1.255 5.144 1.00 0.00 H new ATOM 187 N TYR A 19 4.964 -1.236 3.987 1.00 0.00 N ATOM 188 CA TYR A 19 5.306 -2.652 4.031 1.00 0.00 C ATOM 189 C TYR A 19 4.218 -3.490 3.369 1.00 0.00 C ATOM 190 O TYR A 19 3.050 -3.421 3.749 1.00 0.00 O ATOM 191 CB TYR A 19 5.508 -3.106 5.478 1.00 0.00 C ATOM 192 CG TYR A 19 6.674 -2.435 6.168 1.00 0.00 C ATOM 193 CD1 TYR A 19 6.629 -1.087 6.497 1.00 0.00 C ATOM 194 CD2 TYR A 19 7.819 -3.151 6.492 1.00 0.00 C ATOM 195 CE1 TYR A 19 7.692 -0.470 7.129 1.00 0.00 C ATOM 196 CE2 TYR A 19 8.887 -2.543 7.124 1.00 0.00 C ATOM 197 CZ TYR A 19 8.818 -1.202 7.440 1.00 0.00 C ATOM 198 OH TYR A 19 9.879 -0.593 8.069 1.00 0.00 O ATOM 0 H TYR A 19 4.124 -0.989 4.510 1.00 0.00 H new ATOM 0 HA TYR A 19 6.237 -2.795 3.482 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.598 -2.905 6.043 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.660 -4.185 5.493 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.748 -0.511 6.255 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.876 -4.201 6.246 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.641 0.580 7.378 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.770 -3.114 7.369 1.00 0.00 H new ATOM 0 HH TYR A 19 10.592 -1.249 8.217 1.00 0.00 H new ATOM 208 N MET A 20 4.613 -4.276 2.377 1.00 0.00 N ATOM 209 CA MET A 20 3.677 -5.130 1.657 1.00 0.00 C ATOM 210 C MET A 20 4.090 -6.595 1.758 1.00 0.00 C ATOM 211 O MET A 20 5.277 -6.913 1.816 1.00 0.00 O ATOM 212 CB MET A 20 3.600 -4.703 0.191 1.00 0.00 C ATOM 213 CG MET A 20 2.864 -3.390 -0.023 1.00 0.00 C ATOM 214 SD MET A 20 3.172 -2.677 -1.650 1.00 0.00 S ATOM 215 CE MET A 20 2.564 -3.984 -2.713 1.00 0.00 C ATOM 0 H MET A 20 5.578 -4.340 2.051 1.00 0.00 H new ATOM 0 HA MET A 20 2.692 -5.021 2.112 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.611 -4.612 -0.206 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.103 -5.486 -0.381 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.794 -3.554 0.101 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.168 -2.678 0.745 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.407 -4.506 -3.166 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.976 -4.688 -2.124 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.939 -3.555 -3.496 1.00 0.00 H new ATOM 225 N TRP A 21 3.100 -7.482 1.782 1.00 0.00 N ATOM 226 CA TRP A 21 3.355 -8.915 1.884 1.00 0.00 C ATOM 227 C TRP A 21 4.192 -9.414 0.710 1.00 0.00 C ATOM 228 O TRP A 21 3.876 -9.150 -0.451 1.00 0.00 O ATOM 229 CB TRP A 21 2.031 -9.682 1.949 1.00 0.00 C ATOM 230 CG TRP A 21 2.189 -11.167 1.815 1.00 0.00 C ATOM 231 CD1 TRP A 21 1.619 -11.968 0.868 1.00 0.00 C ATOM 232 CD2 TRP A 21 2.970 -12.030 2.652 1.00 0.00 C ATOM 233 NE1 TRP A 21 1.995 -13.274 1.066 1.00 0.00 N ATOM 234 CE2 TRP A 21 2.822 -13.338 2.154 1.00 0.00 C ATOM 235 CE3 TRP A 21 3.780 -11.825 3.773 1.00 0.00 C ATOM 236 CZ2 TRP A 21 3.452 -14.433 2.737 1.00 0.00 C ATOM 237 CZ3 TRP A 21 4.405 -12.915 4.351 1.00 0.00 C ATOM 238 CH2 TRP A 21 4.236 -14.203 3.832 1.00 0.00 C ATOM 0 H TRP A 21 2.112 -7.233 1.732 1.00 0.00 H new ATOM 0 HA TRP A 21 3.919 -9.092 2.800 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.539 -9.462 2.897 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.373 -9.322 1.158 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.967 -11.625 0.078 1.00 0.00 H new ATOM 0 HE1 TRP A 21 1.705 -14.068 0.495 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.915 -10.834 4.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.326 -15.429 2.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 5.034 -12.769 5.217 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.736 -15.034 4.307 1.00 0.00 H new ATOM 249 N ASP A 22 5.262 -10.136 1.027 1.00 0.00 N ATOM 250 CA ASP A 22 6.150 -10.686 0.009 1.00 0.00 C ATOM 251 C ASP A 22 6.049 -12.207 -0.022 1.00 0.00 C ATOM 252 O ASP A 22 6.639 -12.890 0.812 1.00 0.00 O ATOM 253 CB ASP A 22 7.596 -10.266 0.283 1.00 0.00 C ATOM 254 CG ASP A 22 7.799 -8.770 0.147 1.00 0.00 C ATOM 255 OD1 ASP A 22 8.116 -8.313 -0.972 1.00 0.00 O ATOM 256 OD2 ASP A 22 7.640 -8.055 1.159 1.00 0.00 O ATOM 0 H ASP A 22 5.536 -10.354 1.985 1.00 0.00 H new ATOM 0 HA ASP A 22 5.845 -10.294 -0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.878 -10.578 1.289 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.259 -10.784 -0.409 1.00 0.00 H new ATOM 261 N SER A 23 5.295 -12.731 -0.983 1.00 0.00 N ATOM 262 CA SER A 23 5.116 -14.174 -1.113 1.00 0.00 C ATOM 263 C SER A 23 6.385 -14.844 -1.627 1.00 0.00 C ATOM 264 O SER A 23 6.483 -16.071 -1.649 1.00 0.00 O ATOM 265 CB SER A 23 3.945 -14.485 -2.046 1.00 0.00 C ATOM 266 OG SER A 23 4.081 -13.804 -3.282 1.00 0.00 O ATOM 0 H SER A 23 4.798 -12.179 -1.683 1.00 0.00 H new ATOM 0 HA SER A 23 4.897 -14.573 -0.122 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.893 -15.559 -2.223 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.009 -14.195 -1.569 1.00 0.00 H new ATOM 0 HG SER A 23 3.321 -14.021 -3.861 1.00 0.00 H new ATOM 272 N ILE A 24 7.356 -14.035 -2.040 1.00 0.00 N ATOM 273 CA ILE A 24 8.619 -14.560 -2.547 1.00 0.00 C ATOM 274 C ILE A 24 9.406 -15.227 -1.425 1.00 0.00 C ATOM 275 O ILE A 24 9.715 -16.418 -1.490 1.00 0.00 O ATOM 276 CB ILE A 24 9.479 -13.448 -3.178 1.00 0.00 C ATOM 277 CG1 ILE A 24 8.691 -12.728 -4.276 1.00 0.00 C ATOM 278 CG2 ILE A 24 10.771 -14.031 -3.737 1.00 0.00 C ATOM 279 CD1 ILE A 24 9.409 -11.528 -4.853 1.00 0.00 C ATOM 0 H ILE A 24 7.293 -13.017 -2.034 1.00 0.00 H new ATOM 0 HA ILE A 24 8.381 -15.295 -3.316 1.00 0.00 H new ATOM 0 HB ILE A 24 9.736 -12.722 -2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.477 -13.433 -5.079 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.732 -12.406 -3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.368 -13.234 -4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.335 -14.503 -2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.535 -14.774 -4.499 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.790 -11.070 -5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.599 -10.803 -4.062 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.356 -11.846 -5.289 1.00 0.00 H new ATOM 291 N ASP A 25 9.726 -14.448 -0.399 1.00 0.00 N ATOM 292 CA ASP A 25 10.464 -14.954 0.750 1.00 0.00 C ATOM 293 C ASP A 25 9.528 -15.142 1.938 1.00 0.00 C ATOM 294 O ASP A 25 9.951 -15.556 3.017 1.00 0.00 O ATOM 295 CB ASP A 25 11.591 -13.991 1.126 1.00 0.00 C ATOM 296 CG ASP A 25 12.725 -14.007 0.120 1.00 0.00 C ATOM 297 OD1 ASP A 25 12.658 -13.240 -0.864 1.00 0.00 O ATOM 298 OD2 ASP A 25 13.682 -14.785 0.316 1.00 0.00 O ATOM 0 H ASP A 25 9.484 -13.459 -0.340 1.00 0.00 H new ATOM 0 HA ASP A 25 10.897 -15.918 0.483 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.191 -12.980 1.202 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.978 -14.256 2.110 1.00 0.00 H new ATOM 303 N GLN A 26 8.253 -14.834 1.723 1.00 0.00 N ATOM 304 CA GLN A 26 7.246 -14.951 2.767 1.00 0.00 C ATOM 305 C GLN A 26 7.655 -14.153 3.996 1.00 0.00 C ATOM 306 O GLN A 26 7.986 -14.717 5.040 1.00 0.00 O ATOM 307 CB GLN A 26 7.004 -16.415 3.121 1.00 0.00 C ATOM 308 CG GLN A 26 6.184 -17.146 2.071 1.00 0.00 C ATOM 309 CD GLN A 26 4.802 -17.525 2.563 1.00 0.00 C ATOM 310 OE1 GLN A 26 4.598 -17.779 3.751 1.00 0.00 O ATOM 311 NE2 GLN A 26 3.840 -17.560 1.648 1.00 0.00 N ATOM 0 H GLN A 26 7.893 -14.500 0.829 1.00 0.00 H new ATOM 0 HA GLN A 26 6.310 -14.537 2.391 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.963 -16.918 3.242 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.491 -16.472 4.081 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.089 -16.515 1.187 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.715 -18.047 1.765 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.054 -17.342 0.675 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.887 -17.805 1.919 1.00 0.00 H new ATOM 320 N LYS A 27 7.633 -12.831 3.853 1.00 0.00 N ATOM 321 CA LYS A 27 8.007 -11.933 4.939 1.00 0.00 C ATOM 322 C LYS A 27 7.690 -10.485 4.575 1.00 0.00 C ATOM 323 O LYS A 27 7.207 -10.204 3.478 1.00 0.00 O ATOM 324 CB LYS A 27 9.499 -12.081 5.254 1.00 0.00 C ATOM 325 CG LYS A 27 10.412 -11.624 4.128 1.00 0.00 C ATOM 326 CD LYS A 27 11.870 -11.906 4.449 1.00 0.00 C ATOM 327 CE LYS A 27 12.794 -11.404 3.351 1.00 0.00 C ATOM 328 NZ LYS A 27 12.703 -9.928 3.183 1.00 0.00 N ATOM 0 H LYS A 27 7.359 -12.357 2.992 1.00 0.00 H new ATOM 0 HA LYS A 27 7.428 -12.201 5.823 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.730 -11.508 6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.711 -13.126 5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.136 -12.133 3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.275 -10.556 3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.134 -11.429 5.393 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.013 -12.978 4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.822 -11.680 3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.540 -11.893 2.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.377 -9.708 2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.029 -9.541 3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.639 -9.503 3.338 1.00 0.00 H new ATOM 342 N TRP A 28 7.963 -9.570 5.500 1.00 0.00 N ATOM 343 CA TRP A 28 7.709 -8.151 5.271 1.00 0.00 C ATOM 344 C TRP A 28 8.991 -7.419 4.889 1.00 0.00 C ATOM 345 O TRP A 28 10.063 -7.700 5.425 1.00 0.00 O ATOM 346 CB TRP A 28 7.096 -7.512 6.520 1.00 0.00 C ATOM 347 CG TRP A 28 5.710 -7.999 6.819 1.00 0.00 C ATOM 348 CD1 TRP A 28 5.359 -8.987 7.694 1.00 0.00 C ATOM 349 CD2 TRP A 28 4.490 -7.519 6.242 1.00 0.00 C ATOM 350 NE1 TRP A 28 3.994 -9.150 7.698 1.00 0.00 N ATOM 351 CE2 TRP A 28 3.439 -8.262 6.812 1.00 0.00 C ATOM 352 CE3 TRP A 28 4.183 -6.532 5.300 1.00 0.00 C ATOM 353 CZ2 TRP A 28 2.106 -8.051 6.471 1.00 0.00 C ATOM 354 CZ3 TRP A 28 2.859 -6.324 4.963 1.00 0.00 C ATOM 355 CH2 TRP A 28 1.836 -7.081 5.547 1.00 0.00 C ATOM 0 H TRP A 28 8.360 -9.785 6.415 1.00 0.00 H new ATOM 0 HA TRP A 28 7.005 -8.065 4.443 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.738 -7.718 7.377 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.073 -6.430 6.391 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.052 -9.557 8.295 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.478 -9.821 8.267 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.966 -5.944 4.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.314 -8.632 6.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.609 -5.565 4.237 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.811 -6.894 5.261 1.00 0.00 H new ATOM 366 N THR A 29 8.871 -6.476 3.958 1.00 0.00 N ATOM 367 CA THR A 29 10.017 -5.698 3.499 1.00 0.00 C ATOM 368 C THR A 29 9.695 -4.209 3.470 1.00 0.00 C ATOM 369 O THR A 29 8.533 -3.813 3.570 1.00 0.00 O ATOM 370 CB THR A 29 10.463 -6.126 2.089 1.00 0.00 C ATOM 371 OG1 THR A 29 9.369 -6.008 1.173 1.00 0.00 O ATOM 372 CG2 THR A 29 10.978 -7.556 2.085 1.00 0.00 C ATOM 0 H THR A 29 7.990 -6.232 3.506 1.00 0.00 H new ATOM 0 HA THR A 29 10.824 -5.888 4.207 1.00 0.00 H new ATOM 0 HB THR A 29 11.274 -5.467 1.779 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.703 -5.714 0.300 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.285 -7.829 1.076 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.831 -7.637 2.759 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.187 -8.228 2.418 1.00 0.00 H new ATOM 380 N ARG A 30 10.731 -3.388 3.329 1.00 0.00 N ATOM 381 CA ARG A 30 10.556 -1.942 3.275 1.00 0.00 C ATOM 382 C ARG A 30 10.529 -1.468 1.825 1.00 0.00 C ATOM 383 O ARG A 30 11.486 -1.673 1.078 1.00 0.00 O ATOM 384 CB ARG A 30 11.685 -1.243 4.035 1.00 0.00 C ATOM 385 CG ARG A 30 11.532 0.268 4.099 1.00 0.00 C ATOM 386 CD ARG A 30 12.671 0.910 4.874 1.00 0.00 C ATOM 387 NE ARG A 30 12.753 0.409 6.243 1.00 0.00 N ATOM 388 CZ ARG A 30 13.586 0.895 7.158 1.00 0.00 C ATOM 389 NH1 ARG A 30 14.405 1.892 6.851 1.00 0.00 N ATOM 390 NH2 ARG A 30 13.600 0.385 8.381 1.00 0.00 N ATOM 0 H ARG A 30 11.699 -3.699 3.250 1.00 0.00 H new ATOM 0 HA ARG A 30 9.606 -1.688 3.746 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.728 -1.639 5.050 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.635 -1.484 3.559 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.503 0.675 3.088 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.582 0.519 4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.613 0.717 4.360 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.533 1.991 4.891 1.00 0.00 H new ATOM 0 HE ARG A 30 12.136 -0.357 6.513 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.397 2.288 5.911 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.043 2.263 7.555 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.971 -0.381 8.621 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.240 0.759 9.082 1.00 0.00 H new ATOM 404 N HIS A 31 9.430 -0.831 1.435 1.00 0.00 N ATOM 405 CA HIS A 31 9.275 -0.337 0.070 1.00 0.00 C ATOM 406 C HIS A 31 9.050 1.171 0.050 1.00 0.00 C ATOM 407 O HIS A 31 8.643 1.761 1.050 1.00 0.00 O ATOM 408 CB HIS A 31 8.094 -1.031 -0.619 1.00 0.00 C ATOM 409 CG HIS A 31 8.313 -2.484 -0.917 1.00 0.00 C ATOM 410 ND1 HIS A 31 7.496 -3.204 -1.763 1.00 0.00 N ATOM 411 CD2 HIS A 31 9.255 -3.355 -0.480 1.00 0.00 C ATOM 412 CE1 HIS A 31 7.924 -4.451 -1.832 1.00 0.00 C ATOM 413 NE2 HIS A 31 8.991 -4.569 -1.065 1.00 0.00 N ATOM 0 H HIS A 31 8.633 -0.644 2.044 1.00 0.00 H new ATOM 0 HA HIS A 31 10.197 -0.562 -0.467 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.212 -0.932 0.013 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.877 -0.511 -1.552 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.686 -2.831 -2.259 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.063 -3.135 0.202 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.476 -5.241 -2.417 1.00 0.00 H new ATOM 422 N TYR A 32 9.320 1.786 -1.097 1.00 0.00 N ATOM 423 CA TYR A 32 9.128 3.221 -1.264 1.00 0.00 C ATOM 424 C TYR A 32 7.914 3.476 -2.150 1.00 0.00 C ATOM 425 O TYR A 32 7.996 3.381 -3.374 1.00 0.00 O ATOM 426 CB TYR A 32 10.375 3.864 -1.875 1.00 0.00 C ATOM 427 CG TYR A 32 10.299 5.372 -1.967 1.00 0.00 C ATOM 428 CD1 TYR A 32 10.674 6.172 -0.894 1.00 0.00 C ATOM 429 CD2 TYR A 32 9.855 5.996 -3.126 1.00 0.00 C ATOM 430 CE1 TYR A 32 10.606 7.550 -0.974 1.00 0.00 C ATOM 431 CE2 TYR A 32 9.785 7.373 -3.213 1.00 0.00 C ATOM 432 CZ TYR A 32 10.161 8.145 -2.136 1.00 0.00 C ATOM 433 OH TYR A 32 10.093 9.517 -2.218 1.00 0.00 O ATOM 0 H TYR A 32 9.674 1.310 -1.927 1.00 0.00 H new ATOM 0 HA TYR A 32 8.958 3.670 -0.285 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.244 3.589 -1.278 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.532 3.455 -2.873 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.024 5.709 0.017 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.560 5.395 -3.973 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.900 8.158 -0.131 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.437 7.842 -4.121 1.00 0.00 H new ATOM 0 HH TYR A 32 9.761 9.776 -3.103 1.00 0.00 H new ATOM 443 N CYS A 33 6.786 3.791 -1.521 1.00 0.00 N ATOM 444 CA CYS A 33 5.547 4.034 -2.251 1.00 0.00 C ATOM 445 C CYS A 33 5.382 5.505 -2.617 1.00 0.00 C ATOM 446 O CYS A 33 6.094 6.373 -2.112 1.00 0.00 O ATOM 447 CB CYS A 33 4.348 3.568 -1.424 1.00 0.00 C ATOM 448 SG CYS A 33 4.352 1.799 -1.051 1.00 0.00 S ATOM 0 H CYS A 33 6.705 3.884 -0.509 1.00 0.00 H new ATOM 0 HA CYS A 33 5.596 3.463 -3.178 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.327 4.126 -0.488 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.432 3.813 -1.962 1.00 0.00 H new ATOM 0 HG CYS A 33 3.301 1.502 -0.347 1.00 0.00 H new ATOM 454 N ALA A 34 4.427 5.768 -3.506 1.00 0.00 N ATOM 455 CA ALA A 34 4.136 7.121 -3.961 1.00 0.00 C ATOM 456 C ALA A 34 2.823 7.148 -4.737 1.00 0.00 C ATOM 457 O ALA A 34 2.694 6.502 -5.776 1.00 0.00 O ATOM 458 CB ALA A 34 5.273 7.649 -4.823 1.00 0.00 C ATOM 0 H ALA A 34 3.837 5.051 -3.928 1.00 0.00 H new ATOM 0 HA ALA A 34 4.037 7.766 -3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.039 8.661 -5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.195 7.662 -4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.401 7.003 -5.692 1.00 0.00 H new ATOM 464 N ILE A 35 1.852 7.896 -4.227 1.00 0.00 N ATOM 465 CA ILE A 35 0.547 7.992 -4.871 1.00 0.00 C ATOM 466 C ILE A 35 0.519 9.114 -5.905 1.00 0.00 C ATOM 467 O ILE A 35 0.783 10.274 -5.588 1.00 0.00 O ATOM 468 CB ILE A 35 -0.575 8.227 -3.840 1.00 0.00 C ATOM 469 CG1 ILE A 35 -0.628 7.066 -2.843 1.00 0.00 C ATOM 470 CG2 ILE A 35 -1.917 8.391 -4.542 1.00 0.00 C ATOM 471 CD1 ILE A 35 -1.607 7.280 -1.710 1.00 0.00 C ATOM 0 H ILE A 35 1.943 8.444 -3.371 1.00 0.00 H new ATOM 0 HA ILE A 35 0.375 7.040 -5.372 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.360 9.145 -3.293 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.896 6.154 -3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.367 6.911 -2.427 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.698 8.556 -3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.872 9.245 -5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.142 7.489 -5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.589 6.416 -1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.328 8.174 -1.152 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.611 7.405 -2.115 1.00 0.00 H new ATOM 483 N ALA A 36 0.194 8.752 -7.143 1.00 0.00 N ATOM 484 CA ALA A 36 0.123 9.717 -8.232 1.00 0.00 C ATOM 485 C ALA A 36 -1.289 9.789 -8.802 1.00 0.00 C ATOM 486 O ALA A 36 -1.831 8.788 -9.269 1.00 0.00 O ATOM 487 CB ALA A 36 1.116 9.349 -9.325 1.00 0.00 C ATOM 0 H ALA A 36 -0.025 7.794 -7.416 1.00 0.00 H new ATOM 0 HA ALA A 36 0.381 10.700 -7.837 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.054 10.077 -10.133 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.126 9.348 -8.914 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.881 8.357 -9.711 1.00 0.00 H new ATOM 493 N ASP A 37 -1.878 10.983 -8.757 1.00 0.00 N ATOM 494 CA ASP A 37 -3.231 11.201 -9.266 1.00 0.00 C ATOM 495 C ASP A 37 -4.259 10.409 -8.462 1.00 0.00 C ATOM 496 O ASP A 37 -4.906 10.951 -7.565 1.00 0.00 O ATOM 497 CB ASP A 37 -3.318 10.825 -10.748 1.00 0.00 C ATOM 498 CG ASP A 37 -2.397 11.663 -11.612 1.00 0.00 C ATOM 499 OD1 ASP A 37 -2.830 12.741 -12.070 1.00 0.00 O ATOM 500 OD2 ASP A 37 -1.241 11.243 -11.830 1.00 0.00 O ATOM 0 H ASP A 37 -1.437 11.818 -8.371 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.458 12.262 -9.158 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.065 9.771 -10.868 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.345 10.948 -11.091 1.00 0.00 H new ATOM 505 N ALA A 38 -4.407 9.127 -8.785 1.00 0.00 N ATOM 506 CA ALA A 38 -5.362 8.273 -8.087 1.00 0.00 C ATOM 507 C ALA A 38 -4.892 6.821 -8.054 1.00 0.00 C ATOM 508 O ALA A 38 -5.703 5.902 -7.949 1.00 0.00 O ATOM 509 CB ALA A 38 -6.731 8.370 -8.744 1.00 0.00 C ATOM 0 H ALA A 38 -3.880 8.659 -9.522 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.435 8.623 -7.057 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.435 7.728 -8.214 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.081 9.402 -8.706 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.659 8.050 -9.783 1.00 0.00 H new ATOM 515 N LYS A 39 -3.581 6.621 -8.144 1.00 0.00 N ATOM 516 CA LYS A 39 -3.007 5.279 -8.113 1.00 0.00 C ATOM 517 C LYS A 39 -1.811 5.215 -7.170 1.00 0.00 C ATOM 518 O LYS A 39 -1.096 6.200 -6.992 1.00 0.00 O ATOM 519 CB LYS A 39 -2.591 4.846 -9.518 1.00 0.00 C ATOM 520 CG LYS A 39 -3.765 4.656 -10.462 1.00 0.00 C ATOM 521 CD LYS A 39 -3.326 4.050 -11.782 1.00 0.00 C ATOM 522 CE LYS A 39 -4.375 4.258 -12.861 1.00 0.00 C ATOM 523 NZ LYS A 39 -3.938 3.716 -14.177 1.00 0.00 N ATOM 0 H LYS A 39 -2.896 7.370 -8.239 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.771 4.596 -7.742 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.916 5.593 -9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.032 3.912 -9.452 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.509 4.011 -9.994 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.246 5.617 -10.644 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.384 4.500 -12.096 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.142 2.984 -11.652 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.305 3.774 -12.561 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.587 5.323 -12.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.581 4.053 -14.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.971 4.039 -14.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.956 2.677 -14.148 1.00 0.00 H new ATOM 537 N LEU A 40 -1.601 4.049 -6.567 1.00 0.00 N ATOM 538 CA LEU A 40 -0.490 3.857 -5.641 1.00 0.00 C ATOM 539 C LEU A 40 0.595 2.984 -6.268 1.00 0.00 C ATOM 540 O LEU A 40 0.359 1.819 -6.580 1.00 0.00 O ATOM 541 CB LEU A 40 -0.989 3.220 -4.341 1.00 0.00 C ATOM 542 CG LEU A 40 0.108 2.764 -3.375 1.00 0.00 C ATOM 543 CD1 LEU A 40 0.884 3.959 -2.843 1.00 0.00 C ATOM 544 CD2 LEU A 40 -0.488 1.960 -2.231 1.00 0.00 C ATOM 0 H LEU A 40 -2.185 3.224 -6.703 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.060 4.833 -5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.629 3.937 -3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.610 2.360 -4.592 1.00 0.00 H new ATOM 0 HG LEU A 40 0.800 2.122 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.659 3.614 -2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.345 4.493 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.205 4.628 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.307 1.645 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.204 2.577 -1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.995 1.081 -2.629 1.00 0.00 H new ATOM 556 N SER A 41 1.786 3.549 -6.442 1.00 0.00 N ATOM 557 CA SER A 41 2.899 2.812 -7.034 1.00 0.00 C ATOM 558 C SER A 41 3.957 2.477 -5.989 1.00 0.00 C ATOM 559 O SER A 41 4.413 3.350 -5.251 1.00 0.00 O ATOM 560 CB SER A 41 3.532 3.620 -8.170 1.00 0.00 C ATOM 561 OG SER A 41 3.833 4.940 -7.752 1.00 0.00 O ATOM 0 H SER A 41 2.005 4.511 -6.183 1.00 0.00 H new ATOM 0 HA SER A 41 2.503 1.879 -7.435 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.443 3.126 -8.508 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.852 3.651 -9.021 1.00 0.00 H new ATOM 0 HG SER A 41 4.062 4.937 -6.799 1.00 0.00 H new ATOM 567 N PHE A 42 4.342 1.206 -5.933 1.00 0.00 N ATOM 568 CA PHE A 42 5.354 0.758 -4.984 1.00 0.00 C ATOM 569 C PHE A 42 6.615 0.309 -5.717 1.00 0.00 C ATOM 570 O PHE A 42 6.543 -0.425 -6.703 1.00 0.00 O ATOM 571 CB PHE A 42 4.809 -0.379 -4.113 1.00 0.00 C ATOM 572 CG PHE A 42 4.396 -1.598 -4.888 1.00 0.00 C ATOM 573 CD1 PHE A 42 3.141 -1.670 -5.473 1.00 0.00 C ATOM 574 CD2 PHE A 42 5.259 -2.673 -5.028 1.00 0.00 C ATOM 575 CE1 PHE A 42 2.757 -2.792 -6.183 1.00 0.00 C ATOM 576 CE2 PHE A 42 4.880 -3.797 -5.737 1.00 0.00 C ATOM 577 CZ PHE A 42 3.628 -3.856 -6.315 1.00 0.00 C ATOM 0 H PHE A 42 3.969 0.470 -6.532 1.00 0.00 H new ATOM 0 HA PHE A 42 5.611 1.596 -4.337 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.570 -0.663 -3.387 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.952 -0.012 -3.549 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.456 -0.841 -5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 42 6.240 -2.632 -4.578 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.777 -2.837 -6.634 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.562 -4.628 -5.839 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.330 -4.733 -6.870 1.00 0.00 H new ATOM 587 N SER A 43 7.770 0.758 -5.234 1.00 0.00 N ATOM 588 CA SER A 43 9.044 0.408 -5.851 1.00 0.00 C ATOM 589 C SER A 43 9.695 -0.779 -5.147 1.00 0.00 C ATOM 590 O SER A 43 9.179 -1.285 -4.150 1.00 0.00 O ATOM 591 CB SER A 43 9.992 1.608 -5.829 1.00 0.00 C ATOM 592 OG SER A 43 10.264 2.018 -4.500 1.00 0.00 O ATOM 0 H SER A 43 7.849 1.365 -4.418 1.00 0.00 H new ATOM 0 HA SER A 43 8.845 0.124 -6.885 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.924 1.348 -6.331 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.550 2.435 -6.385 1.00 0.00 H new ATOM 0 HG SER A 43 9.438 2.336 -4.080 1.00 0.00 H new ATOM 598 N ASP A 44 10.836 -1.214 -5.674 1.00 0.00 N ATOM 599 CA ASP A 44 11.569 -2.339 -5.104 1.00 0.00 C ATOM 600 C ASP A 44 12.249 -1.938 -3.799 1.00 0.00 C ATOM 601 O ASP A 44 12.363 -0.752 -3.490 1.00 0.00 O ATOM 602 CB ASP A 44 12.616 -2.848 -6.097 1.00 0.00 C ATOM 603 CG ASP A 44 13.653 -1.795 -6.433 1.00 0.00 C ATOM 604 OD1 ASP A 44 13.418 -1.008 -7.374 1.00 0.00 O ATOM 605 OD2 ASP A 44 14.701 -1.756 -5.755 1.00 0.00 O ATOM 0 H ASP A 44 11.274 -0.802 -6.498 1.00 0.00 H new ATOM 0 HA ASP A 44 10.856 -3.136 -4.895 1.00 0.00 H new ATOM 0 HB2 ASP A 44 13.113 -3.724 -5.680 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.119 -3.170 -7.012 1.00 0.00 H new ATOM 610 N ASP A 45 12.693 -2.934 -3.034 1.00 0.00 N ATOM 611 CA ASP A 45 13.370 -2.683 -1.765 1.00 0.00 C ATOM 612 C ASP A 45 14.466 -1.635 -1.933 1.00 0.00 C ATOM 613 O ASP A 45 15.190 -1.636 -2.929 1.00 0.00 O ATOM 614 CB ASP A 45 13.971 -3.979 -1.223 1.00 0.00 C ATOM 615 CG ASP A 45 12.964 -5.112 -1.184 1.00 0.00 C ATOM 616 OD1 ASP A 45 12.198 -5.189 -0.202 1.00 0.00 O ATOM 617 OD2 ASP A 45 12.941 -5.919 -2.135 1.00 0.00 O ATOM 0 H ASP A 45 12.596 -3.921 -3.271 1.00 0.00 H new ATOM 0 HA ASP A 45 12.634 -2.305 -1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.818 -4.271 -1.844 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.357 -3.805 -0.219 1.00 0.00 H new ATOM 622 N ILE A 46 14.583 -0.742 -0.954 1.00 0.00 N ATOM 623 CA ILE A 46 15.592 0.310 -0.998 1.00 0.00 C ATOM 624 C ILE A 46 16.873 -0.122 -0.291 1.00 0.00 C ATOM 625 O ILE A 46 17.958 0.376 -0.596 1.00 0.00 O ATOM 626 CB ILE A 46 15.075 1.611 -0.352 1.00 0.00 C ATOM 627 CG1 ILE A 46 14.666 1.358 1.102 1.00 0.00 C ATOM 628 CG2 ILE A 46 13.905 2.167 -1.151 1.00 0.00 C ATOM 629 CD1 ILE A 46 14.274 2.613 1.850 1.00 0.00 C ATOM 0 H ILE A 46 13.992 -0.726 -0.122 1.00 0.00 H new ATOM 0 HA ILE A 46 15.808 0.495 -2.050 1.00 0.00 H new ATOM 0 HB ILE A 46 15.878 2.349 -0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.829 0.659 1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.493 0.877 1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.549 3.086 -0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 46 14.229 2.379 -2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.098 1.435 -1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.997 2.356 2.872 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.116 3.305 1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 46 13.426 3.084 1.352 1.00 0.00 H new ATOM 641 N GLU A 47 16.740 -1.049 0.651 1.00 0.00 N ATOM 642 CA GLU A 47 17.889 -1.548 1.401 1.00 0.00 C ATOM 643 C GLU A 47 17.875 -3.072 1.474 1.00 0.00 C ATOM 644 O GLU A 47 18.926 -3.710 1.525 1.00 0.00 O ATOM 645 CB GLU A 47 17.897 -0.957 2.812 1.00 0.00 C ATOM 646 CG GLU A 47 16.621 -1.227 3.591 1.00 0.00 C ATOM 647 CD GLU A 47 16.658 -0.644 4.991 1.00 0.00 C ATOM 648 OE1 GLU A 47 16.259 0.528 5.156 1.00 0.00 O ATOM 649 OE2 GLU A 47 17.085 -1.360 5.921 1.00 0.00 O ATOM 0 H GLU A 47 15.849 -1.471 0.914 1.00 0.00 H new ATOM 0 HA GLU A 47 18.794 -1.238 0.879 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.743 -1.366 3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.051 0.120 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.773 -0.808 3.049 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.459 -2.303 3.654 1.00 0.00 H new ATOM 841 N ARG A 61 7.472 -1.159 -9.407 1.00 0.00 N ATOM 842 CA ARG A 61 7.339 -2.597 -9.201 1.00 0.00 C ATOM 843 C ARG A 61 5.871 -3.005 -9.197 1.00 0.00 C ATOM 844 O ARG A 61 5.536 -4.162 -8.939 1.00 0.00 O ATOM 845 CB ARG A 61 8.000 -3.010 -7.883 1.00 0.00 C ATOM 846 CG ARG A 61 9.518 -2.951 -7.920 1.00 0.00 C ATOM 847 CD ARG A 61 10.096 -4.054 -8.791 1.00 0.00 C ATOM 848 NE ARG A 61 11.536 -3.910 -8.982 1.00 0.00 N ATOM 849 CZ ARG A 61 12.293 -4.812 -9.599 1.00 0.00 C ATOM 850 NH1 ARG A 61 11.748 -5.920 -10.084 1.00 0.00 N ATOM 851 NH2 ARG A 61 13.596 -4.607 -9.733 1.00 0.00 N ATOM 0 HA ARG A 61 7.841 -3.107 -10.023 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.639 -2.361 -7.086 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.690 -4.025 -7.633 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.836 -1.981 -8.301 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.912 -3.041 -6.908 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.887 -5.022 -8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.600 -4.045 -9.762 1.00 0.00 H new ATOM 0 HE ARG A 61 11.987 -3.069 -8.621 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.746 -6.081 -9.984 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.331 -6.610 -10.557 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.019 -3.756 -9.362 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.175 -5.300 -10.207 1.00 0.00 H new ATOM 865 N GLY A 62 4.999 -2.044 -9.486 1.00 0.00 N ATOM 866 CA GLY A 62 3.574 -2.312 -9.512 1.00 0.00 C ATOM 867 C GLY A 62 2.751 -1.085 -9.179 1.00 0.00 C ATOM 868 O GLY A 62 3.259 -0.131 -8.587 1.00 0.00 O ATOM 0 H GLY A 62 5.256 -1.081 -9.703 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.294 -2.677 -10.500 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.343 -3.105 -8.801 1.00 0.00 H new ATOM 872 N ILE A 63 1.479 -1.108 -9.558 1.00 0.00 N ATOM 873 CA ILE A 63 0.583 0.013 -9.301 1.00 0.00 C ATOM 874 C ILE A 63 -0.820 -0.471 -8.948 1.00 0.00 C ATOM 875 O ILE A 63 -1.428 -1.238 -9.694 1.00 0.00 O ATOM 876 CB ILE A 63 0.487 0.953 -10.522 1.00 0.00 C ATOM 877 CG1 ILE A 63 1.862 1.529 -10.866 1.00 0.00 C ATOM 878 CG2 ILE A 63 -0.510 2.073 -10.253 1.00 0.00 C ATOM 879 CD1 ILE A 63 1.868 2.374 -12.122 1.00 0.00 C ATOM 0 H ILE A 63 1.044 -1.892 -10.045 1.00 0.00 H new ATOM 0 HA ILE A 63 1.004 0.560 -8.458 1.00 0.00 H new ATOM 0 HB ILE A 63 0.135 0.375 -11.376 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.213 2.134 -10.030 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.570 0.709 -10.986 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.566 2.727 -11.123 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.493 1.645 -10.056 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.185 2.649 -9.387 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.875 2.749 -12.304 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.548 1.768 -12.970 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.185 3.214 -11.998 1.00 0.00 H new ATOM 891 N LEU A 64 -1.325 -0.018 -7.807 1.00 0.00 N ATOM 892 CA LEU A 64 -2.660 -0.388 -7.362 1.00 0.00 C ATOM 893 C LEU A 64 -3.670 0.656 -7.812 1.00 0.00 C ATOM 894 O LEU A 64 -3.847 1.679 -7.153 1.00 0.00 O ATOM 895 CB LEU A 64 -2.715 -0.526 -5.835 1.00 0.00 C ATOM 896 CG LEU A 64 -2.048 -1.775 -5.250 1.00 0.00 C ATOM 897 CD1 LEU A 64 -2.628 -3.036 -5.874 1.00 0.00 C ATOM 898 CD2 LEU A 64 -0.541 -1.722 -5.448 1.00 0.00 C ATOM 0 H LEU A 64 -0.828 0.607 -7.173 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.906 -1.352 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.246 0.353 -5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.760 -0.518 -5.527 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.250 -1.800 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.141 -3.912 -5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.698 -3.082 -5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.461 -3.019 -6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.087 -2.618 -5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.316 -1.669 -6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.139 -0.841 -4.948 1.00 0.00 H new ATOM 910 N ASP A 65 -4.314 0.407 -8.945 1.00 0.00 N ATOM 911 CA ASP A 65 -5.311 1.332 -9.466 1.00 0.00 C ATOM 912 C ASP A 65 -6.483 1.434 -8.494 1.00 0.00 C ATOM 913 O ASP A 65 -7.366 0.578 -8.488 1.00 0.00 O ATOM 914 CB ASP A 65 -5.806 0.863 -10.835 1.00 0.00 C ATOM 915 CG ASP A 65 -4.669 0.486 -11.766 1.00 0.00 C ATOM 916 OD1 ASP A 65 -4.053 -0.578 -11.548 1.00 0.00 O ATOM 917 OD2 ASP A 65 -4.396 1.254 -12.710 1.00 0.00 O ATOM 0 H ASP A 65 -4.165 -0.423 -9.518 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.854 2.315 -9.578 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.465 0.004 -10.705 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.400 1.654 -11.294 1.00 0.00 H new ATOM 922 N LEU A 66 -6.477 2.475 -7.665 1.00 0.00 N ATOM 923 CA LEU A 66 -7.540 2.677 -6.680 1.00 0.00 C ATOM 924 C LEU A 66 -8.918 2.589 -7.328 1.00 0.00 C ATOM 925 O LEU A 66 -9.849 2.023 -6.757 1.00 0.00 O ATOM 926 CB LEU A 66 -7.385 4.036 -5.991 1.00 0.00 C ATOM 927 CG LEU A 66 -6.273 4.138 -4.938 1.00 0.00 C ATOM 928 CD1 LEU A 66 -6.395 3.031 -3.902 1.00 0.00 C ATOM 929 CD2 LEU A 66 -4.902 4.106 -5.588 1.00 0.00 C ATOM 0 H LEU A 66 -5.750 3.191 -7.654 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.453 1.884 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.202 4.790 -6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.332 4.289 -5.515 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.389 5.095 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.594 3.129 -3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.359 3.108 -3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.320 2.062 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.133 4.180 -4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.780 3.171 -6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.807 4.944 -6.278 1.00 0.00 H new ATOM 941 N ASN A 67 -9.035 3.145 -8.527 1.00 0.00 N ATOM 942 CA ASN A 67 -10.300 3.142 -9.260 1.00 0.00 C ATOM 943 C ASN A 67 -10.812 1.724 -9.524 1.00 0.00 C ATOM 944 O ASN A 67 -11.878 1.546 -10.113 1.00 0.00 O ATOM 945 CB ASN A 67 -10.140 3.888 -10.587 1.00 0.00 C ATOM 946 CG ASN A 67 -9.777 5.347 -10.394 1.00 0.00 C ATOM 947 OD1 ASN A 67 -9.080 5.940 -11.218 1.00 0.00 O ATOM 948 ND2 ASN A 67 -10.253 5.938 -9.303 1.00 0.00 N ATOM 0 H ASN A 67 -8.268 3.606 -9.016 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.036 3.649 -8.636 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.368 3.401 -11.183 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.069 3.820 -11.152 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.044 6.920 -9.123 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.827 5.410 -8.646 1.00 0.00 H new ATOM 955 N THR A 68 -10.056 0.717 -9.090 1.00 0.00 N ATOM 956 CA THR A 68 -10.455 -0.673 -9.294 1.00 0.00 C ATOM 957 C THR A 68 -10.038 -1.566 -8.127 1.00 0.00 C ATOM 958 O THR A 68 -9.685 -2.726 -8.323 1.00 0.00 O ATOM 959 CB THR A 68 -9.856 -1.242 -10.594 1.00 0.00 C ATOM 960 OG1 THR A 68 -8.464 -0.917 -10.679 1.00 0.00 O ATOM 961 CG2 THR A 68 -10.588 -0.700 -11.812 1.00 0.00 C ATOM 0 H THR A 68 -9.170 0.837 -8.598 1.00 0.00 H new ATOM 0 HA THR A 68 -11.543 -0.670 -9.363 1.00 0.00 H new ATOM 0 HB THR A 68 -9.972 -2.326 -10.576 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.164 -0.537 -9.827 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.146 -1.117 -12.717 1.00 0.00 H new ATOM 0 HG22 THR A 68 -11.640 -0.981 -11.759 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.503 0.386 -11.834 1.00 0.00 H new ATOM 969 N TYR A 69 -10.086 -1.024 -6.914 1.00 0.00 N ATOM 970 CA TYR A 69 -9.725 -1.790 -5.724 1.00 0.00 C ATOM 971 C TYR A 69 -10.549 -1.349 -4.516 1.00 0.00 C ATOM 972 O TYR A 69 -11.270 -0.353 -4.570 1.00 0.00 O ATOM 973 CB TYR A 69 -8.237 -1.632 -5.397 1.00 0.00 C ATOM 974 CG TYR A 69 -7.332 -2.619 -6.103 1.00 0.00 C ATOM 975 CD1 TYR A 69 -6.903 -2.396 -7.405 1.00 0.00 C ATOM 976 CD2 TYR A 69 -6.899 -3.770 -5.458 1.00 0.00 C ATOM 977 CE1 TYR A 69 -6.071 -3.294 -8.045 1.00 0.00 C ATOM 978 CE2 TYR A 69 -6.066 -4.672 -6.090 1.00 0.00 C ATOM 979 CZ TYR A 69 -5.655 -4.430 -7.384 1.00 0.00 C ATOM 980 OH TYR A 69 -4.826 -5.327 -8.018 1.00 0.00 O ATOM 0 H TYR A 69 -10.370 -0.062 -6.729 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.936 -2.837 -5.941 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.926 -0.621 -5.659 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.101 -1.739 -4.321 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.225 -1.506 -7.925 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.219 -3.963 -4.445 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.748 -3.107 -9.058 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.738 -5.562 -5.574 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.626 -6.072 -7.413 1.00 0.00 H new ATOM 990 N ASN A 70 -10.430 -2.105 -3.430 1.00 0.00 N ATOM 991 CA ASN A 70 -11.136 -1.802 -2.191 1.00 0.00 C ATOM 992 C ASN A 70 -10.171 -1.875 -1.015 1.00 0.00 C ATOM 993 O ASN A 70 -9.046 -2.348 -1.162 1.00 0.00 O ATOM 994 CB ASN A 70 -12.295 -2.780 -1.975 1.00 0.00 C ATOM 995 CG ASN A 70 -13.386 -2.628 -3.015 1.00 0.00 C ATOM 996 OD1 ASN A 70 -14.289 -1.804 -2.869 1.00 0.00 O ATOM 997 ND2 ASN A 70 -13.315 -3.431 -4.069 1.00 0.00 N ATOM 0 H ASN A 70 -9.845 -2.940 -3.384 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.543 -0.794 -2.262 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.914 -3.801 -2.000 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.719 -2.622 -0.983 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.026 -3.380 -4.798 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.549 -4.100 -4.150 1.00 0.00 H new ATOM 1004 N VAL A 71 -10.605 -1.408 0.149 1.00 0.00 N ATOM 1005 CA VAL A 71 -9.757 -1.432 1.336 1.00 0.00 C ATOM 1006 C VAL A 71 -10.486 -2.058 2.521 1.00 0.00 C ATOM 1007 O VAL A 71 -11.661 -1.780 2.760 1.00 0.00 O ATOM 1008 CB VAL A 71 -9.287 -0.016 1.724 1.00 0.00 C ATOM 1009 CG1 VAL A 71 -8.321 -0.080 2.896 1.00 0.00 C ATOM 1010 CG2 VAL A 71 -8.643 0.684 0.536 1.00 0.00 C ATOM 0 H VAL A 71 -11.533 -1.010 0.297 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.886 -2.038 1.088 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.159 0.563 2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.999 0.928 3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.818 -0.536 3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.453 -0.678 2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.319 1.681 0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.781 0.108 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.367 0.764 -0.275 1.00 0.00 H new ATOM 1020 N VAL A 72 -9.775 -2.906 3.261 1.00 0.00 N ATOM 1021 CA VAL A 72 -10.344 -3.574 4.426 1.00 0.00 C ATOM 1022 C VAL A 72 -9.338 -3.619 5.572 1.00 0.00 C ATOM 1023 O VAL A 72 -8.241 -4.157 5.429 1.00 0.00 O ATOM 1024 CB VAL A 72 -10.799 -5.009 4.092 1.00 0.00 C ATOM 1025 CG1 VAL A 72 -12.204 -5.000 3.512 1.00 0.00 C ATOM 1026 CG2 VAL A 72 -9.823 -5.675 3.136 1.00 0.00 C ATOM 0 H VAL A 72 -8.802 -3.146 3.073 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.215 -2.994 4.731 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.814 -5.588 5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.509 -6.021 3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.894 -4.570 4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.217 -4.403 2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.164 -6.686 2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.769 -5.099 2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.835 -5.717 3.595 1.00 0.00 H new ATOM 1036 N LYS A 73 -9.721 -3.048 6.710 1.00 0.00 N ATOM 1037 CA LYS A 73 -8.850 -3.009 7.880 1.00 0.00 C ATOM 1038 C LYS A 73 -8.780 -4.363 8.576 1.00 0.00 C ATOM 1039 O LYS A 73 -9.720 -4.774 9.255 1.00 0.00 O ATOM 1040 CB LYS A 73 -9.335 -1.943 8.867 1.00 0.00 C ATOM 1041 CG LYS A 73 -8.449 -1.794 10.096 1.00 0.00 C ATOM 1042 CD LYS A 73 -8.985 -2.575 11.285 1.00 0.00 C ATOM 1043 CE LYS A 73 -10.275 -1.972 11.814 1.00 0.00 C ATOM 1044 NZ LYS A 73 -10.091 -0.562 12.255 1.00 0.00 N ATOM 0 H LYS A 73 -10.630 -2.605 6.847 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.848 -2.756 7.534 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.391 -0.984 8.353 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.346 -2.192 9.188 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.442 -2.139 9.860 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.371 -0.739 10.361 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.160 -3.610 10.992 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.238 -2.590 12.078 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.039 -2.012 11.038 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.638 -2.569 12.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.559 -0.422 13.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.076 -0.357 12.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.510 0.079 11.551 1.00 0.00 H new ATOM 1058 N ALA A 74 -7.661 -5.059 8.391 1.00 0.00 N ATOM 1059 CA ALA A 74 -7.457 -6.353 9.027 1.00 0.00 C ATOM 1060 C ALA A 74 -7.204 -6.165 10.524 1.00 0.00 C ATOM 1061 O ALA A 74 -6.241 -5.494 10.913 1.00 0.00 O ATOM 1062 CB ALA A 74 -6.293 -7.086 8.376 1.00 0.00 C ATOM 0 H ALA A 74 -6.885 -4.748 7.807 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.356 -6.956 8.897 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.153 -8.051 8.862 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.506 -7.240 7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.385 -6.492 8.480 1.00 0.00 H new ATOM 1068 N PRO A 75 -8.058 -6.771 11.377 1.00 0.00 N ATOM 1069 CA PRO A 75 -7.955 -6.653 12.841 1.00 0.00 C ATOM 1070 C PRO A 75 -6.545 -6.889 13.381 1.00 0.00 C ATOM 1071 O PRO A 75 -5.734 -5.966 13.432 1.00 0.00 O ATOM 1072 CB PRO A 75 -8.921 -7.726 13.350 1.00 0.00 C ATOM 1073 CG PRO A 75 -9.933 -7.863 12.270 1.00 0.00 C ATOM 1074 CD PRO A 75 -9.199 -7.623 10.980 1.00 0.00 C ATOM 0 HA PRO A 75 -8.194 -5.643 13.174 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.406 -8.669 13.532 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.384 -7.429 14.291 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.385 -8.855 12.283 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.741 -7.143 12.399 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.863 -8.558 10.531 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.833 -7.126 10.245 1.00 0.00 H new ATOM 1082 N GLN A 76 -6.257 -8.124 13.789 1.00 0.00 N ATOM 1083 CA GLN A 76 -4.948 -8.459 14.339 1.00 0.00 C ATOM 1084 C GLN A 76 -4.014 -8.984 13.256 1.00 0.00 C ATOM 1085 O GLN A 76 -3.606 -10.146 13.281 1.00 0.00 O ATOM 1086 CB GLN A 76 -5.092 -9.494 15.458 1.00 0.00 C ATOM 1087 CG GLN A 76 -3.810 -9.731 16.240 1.00 0.00 C ATOM 1088 CD GLN A 76 -3.981 -10.751 17.348 1.00 0.00 C ATOM 1089 OE1 GLN A 76 -4.795 -11.668 17.243 1.00 0.00 O ATOM 1090 NE2 GLN A 76 -3.214 -10.595 18.420 1.00 0.00 N ATOM 0 H GLN A 76 -6.911 -8.906 13.749 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.512 -7.548 14.750 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.871 -9.166 16.146 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.424 -10.438 15.027 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.030 -10.069 15.558 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.471 -8.788 16.669 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.552 -9.820 18.465 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.286 -11.250 19.199 1.00 0.00 H new ATOM 1099 N GLY A 77 -3.683 -8.118 12.302 1.00 0.00 N ATOM 1100 CA GLY A 77 -2.797 -8.502 11.219 1.00 0.00 C ATOM 1101 C GLY A 77 -3.184 -9.823 10.583 1.00 0.00 C ATOM 1102 O GLY A 77 -4.347 -10.226 10.630 1.00 0.00 O ATOM 0 H GLY A 77 -4.014 -7.154 12.261 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.802 -7.722 10.458 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.777 -8.571 11.597 1.00 0.00 H new ATOM 1106 N LYS A 78 -2.207 -10.494 9.983 1.00 0.00 N ATOM 1107 CA LYS A 78 -2.446 -11.778 9.337 1.00 0.00 C ATOM 1108 C LYS A 78 -1.228 -12.687 9.467 1.00 0.00 C ATOM 1109 O LYS A 78 -1.287 -13.732 10.114 1.00 0.00 O ATOM 1110 CB LYS A 78 -2.786 -11.570 7.862 1.00 0.00 C ATOM 1111 CG LYS A 78 -3.186 -12.848 7.148 1.00 0.00 C ATOM 1112 CD LYS A 78 -3.496 -12.592 5.685 1.00 0.00 C ATOM 1113 CE LYS A 78 -2.227 -12.415 4.866 1.00 0.00 C ATOM 1114 NZ LYS A 78 -2.515 -12.328 3.407 1.00 0.00 N ATOM 0 H LYS A 78 -1.241 -10.169 9.931 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.289 -12.258 9.834 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.600 -10.849 7.783 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.924 -11.135 7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.381 -13.578 7.228 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.059 -13.281 7.636 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.075 -13.424 5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.115 -11.700 5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.710 -11.511 5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.554 -13.252 5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.674 -11.975 2.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.762 -13.271 3.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.310 -11.677 3.248 1.00 0.00 H new ATOM 1128 N ASN A 79 -0.127 -12.280 8.846 1.00 0.00 N ATOM 1129 CA ASN A 79 1.109 -13.053 8.887 1.00 0.00 C ATOM 1130 C ASN A 79 1.752 -12.974 10.269 1.00 0.00 C ATOM 1131 O ASN A 79 1.676 -13.917 11.056 1.00 0.00 O ATOM 1132 CB ASN A 79 2.087 -12.546 7.826 1.00 0.00 C ATOM 1133 CG ASN A 79 1.476 -12.530 6.439 1.00 0.00 C ATOM 1134 OD1 ASN A 79 0.889 -11.533 6.018 1.00 0.00 O ATOM 1135 ND2 ASN A 79 1.614 -13.637 5.719 1.00 0.00 N ATOM 0 H ASN A 79 -0.065 -11.417 8.307 1.00 0.00 H new ATOM 0 HA ASN A 79 0.866 -14.095 8.678 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.414 -11.540 8.088 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.975 -13.178 7.822 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.226 -13.684 4.777 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.108 -14.440 6.108 1.00 0.00 H new ATOM 1142 N GLN A 80 2.384 -11.842 10.552 1.00 0.00 N ATOM 1143 CA GLN A 80 3.043 -11.626 11.836 1.00 0.00 C ATOM 1144 C GLN A 80 2.805 -10.202 12.323 1.00 0.00 C ATOM 1145 O GLN A 80 3.413 -9.754 13.295 1.00 0.00 O ATOM 1146 CB GLN A 80 4.544 -11.894 11.715 1.00 0.00 C ATOM 1147 CG GLN A 80 4.885 -13.333 11.358 1.00 0.00 C ATOM 1148 CD GLN A 80 4.624 -14.302 12.497 1.00 0.00 C ATOM 1149 OE1 GLN A 80 3.735 -14.090 13.321 1.00 0.00 O ATOM 1150 NE2 GLN A 80 5.405 -15.374 12.549 1.00 0.00 N ATOM 0 H GLN A 80 2.455 -11.055 9.907 1.00 0.00 H new ATOM 0 HA GLN A 80 2.619 -12.320 12.562 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.961 -11.233 10.956 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.026 -11.640 12.659 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.300 -13.635 10.489 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.935 -13.392 11.071 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.130 -15.511 11.845 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.280 -16.061 13.293 1.00 0.00 H new ATOM 1159 N LYS A 81 1.912 -9.498 11.636 1.00 0.00 N ATOM 1160 CA LYS A 81 1.584 -8.121 11.982 1.00 0.00 C ATOM 1161 C LYS A 81 0.368 -8.056 12.899 1.00 0.00 C ATOM 1162 O LYS A 81 -0.248 -9.078 13.206 1.00 0.00 O ATOM 1163 CB LYS A 81 1.311 -7.318 10.711 1.00 0.00 C ATOM 1164 CG LYS A 81 2.531 -7.149 9.827 1.00 0.00 C ATOM 1165 CD LYS A 81 3.516 -6.158 10.422 1.00 0.00 C ATOM 1166 CE LYS A 81 4.785 -6.080 9.593 1.00 0.00 C ATOM 1167 NZ LYS A 81 5.701 -5.010 10.075 1.00 0.00 N ATOM 0 H LYS A 81 1.400 -9.861 10.832 1.00 0.00 H new ATOM 0 HA LYS A 81 2.435 -7.694 12.512 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.525 -7.812 10.141 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.933 -6.334 10.987 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.020 -8.114 9.692 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.221 -6.808 8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.054 -5.172 10.479 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.762 -6.454 11.442 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.300 -7.040 9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.526 -5.893 8.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.555 -4.991 9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.220 -4.090 10.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.969 -5.201 11.062 1.00 0.00 H new ATOM 1181 N SER A 82 0.030 -6.847 13.333 1.00 0.00 N ATOM 1182 CA SER A 82 -1.121 -6.636 14.205 1.00 0.00 C ATOM 1183 C SER A 82 -2.084 -5.633 13.577 1.00 0.00 C ATOM 1184 O SER A 82 -3.263 -5.586 13.922 1.00 0.00 O ATOM 1185 CB SER A 82 -0.667 -6.140 15.579 1.00 0.00 C ATOM 1186 OG SER A 82 0.035 -4.913 15.473 1.00 0.00 O ATOM 0 H SER A 82 0.538 -5.995 13.095 1.00 0.00 H new ATOM 0 HA SER A 82 -1.637 -7.588 14.331 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.534 -6.012 16.227 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.028 -6.889 16.046 1.00 0.00 H new ATOM 0 HG SER A 82 -0.593 -4.167 15.574 1.00 0.00 H new ATOM 1192 N PHE A 83 -1.562 -4.833 12.654 1.00 0.00 N ATOM 1193 CA PHE A 83 -2.356 -3.833 11.950 1.00 0.00 C ATOM 1194 C PHE A 83 -2.153 -3.991 10.447 1.00 0.00 C ATOM 1195 O PHE A 83 -1.121 -3.585 9.912 1.00 0.00 O ATOM 1196 CB PHE A 83 -1.945 -2.425 12.383 1.00 0.00 C ATOM 1197 CG PHE A 83 -1.782 -2.265 13.867 1.00 0.00 C ATOM 1198 CD1 PHE A 83 -2.852 -2.463 14.725 1.00 0.00 C ATOM 1199 CD2 PHE A 83 -0.554 -1.911 14.404 1.00 0.00 C ATOM 1200 CE1 PHE A 83 -2.700 -2.311 16.090 1.00 0.00 C ATOM 1201 CE2 PHE A 83 -0.397 -1.758 15.767 1.00 0.00 C ATOM 1202 CZ PHE A 83 -1.471 -1.958 16.612 1.00 0.00 C ATOM 0 H PHE A 83 -0.582 -4.859 12.374 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.408 -3.979 12.194 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.006 -2.166 11.895 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.694 -1.715 12.032 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.815 -2.739 14.322 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.290 -1.753 13.748 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.542 -2.468 16.748 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.565 -1.482 16.172 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.350 -1.839 17.679 1.00 0.00 H new ATOM 1212 N VAL A 84 -3.132 -4.581 9.764 1.00 0.00 N ATOM 1213 CA VAL A 84 -3.009 -4.800 8.326 1.00 0.00 C ATOM 1214 C VAL A 84 -4.221 -4.279 7.559 1.00 0.00 C ATOM 1215 O VAL A 84 -5.309 -4.148 8.111 1.00 0.00 O ATOM 1216 CB VAL A 84 -2.814 -6.305 8.017 1.00 0.00 C ATOM 1217 CG1 VAL A 84 -2.949 -6.592 6.528 1.00 0.00 C ATOM 1218 CG2 VAL A 84 -1.465 -6.783 8.531 1.00 0.00 C ATOM 0 H VAL A 84 -4.005 -4.911 10.175 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.133 -4.241 7.997 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.602 -6.854 8.533 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.806 -7.658 6.348 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.942 -6.297 6.189 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.196 -6.027 5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.344 -7.843 8.306 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.670 -6.216 8.047 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.413 -6.633 9.609 1.00 0.00 H new ATOM 1228 N PHE A 85 -4.001 -3.959 6.287 1.00 0.00 N ATOM 1229 CA PHE A 85 -5.056 -3.477 5.401 1.00 0.00 C ATOM 1230 C PHE A 85 -4.935 -4.177 4.053 1.00 0.00 C ATOM 1231 O PHE A 85 -3.910 -4.066 3.379 1.00 0.00 O ATOM 1232 CB PHE A 85 -4.965 -1.963 5.208 1.00 0.00 C ATOM 1233 CG PHE A 85 -5.573 -1.160 6.323 1.00 0.00 C ATOM 1234 CD1 PHE A 85 -4.982 -1.125 7.575 1.00 0.00 C ATOM 1235 CD2 PHE A 85 -6.730 -0.431 6.111 1.00 0.00 C ATOM 1236 CE1 PHE A 85 -5.536 -0.376 8.596 1.00 0.00 C ATOM 1237 CE2 PHE A 85 -7.290 0.318 7.127 1.00 0.00 C ATOM 1238 CZ PHE A 85 -6.692 0.346 8.371 1.00 0.00 C ATOM 0 H PHE A 85 -3.086 -4.027 5.841 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.022 -3.702 5.854 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.916 -1.684 5.105 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.459 -1.697 4.273 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.079 -1.689 7.755 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.201 -0.448 5.139 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.066 -0.355 9.568 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.194 0.881 6.949 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.127 0.932 9.167 1.00 0.00 H new ATOM 1248 N ILE A 86 -5.978 -4.896 3.660 1.00 0.00 N ATOM 1249 CA ILE A 86 -5.960 -5.633 2.402 1.00 0.00 C ATOM 1250 C ILE A 86 -6.694 -4.895 1.288 1.00 0.00 C ATOM 1251 O ILE A 86 -7.747 -4.297 1.507 1.00 0.00 O ATOM 1252 CB ILE A 86 -6.602 -7.023 2.565 1.00 0.00 C ATOM 1253 CG1 ILE A 86 -5.926 -7.801 3.695 1.00 0.00 C ATOM 1254 CG2 ILE A 86 -6.524 -7.802 1.258 1.00 0.00 C ATOM 1255 CD1 ILE A 86 -6.652 -9.077 4.059 1.00 0.00 C ATOM 0 H ILE A 86 -6.844 -4.985 4.191 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.910 -5.733 2.128 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.652 -6.888 2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.905 -8.043 3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.860 -7.164 4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.982 -8.782 1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.054 -7.256 0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.480 -7.926 0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.120 -9.580 4.867 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.665 -8.839 4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.695 -9.732 3.189 1.00 0.00 H new ATOM 1267 N LEU A 87 -6.118 -4.943 0.091 1.00 0.00 N ATOM 1268 CA LEU A 87 -6.724 -4.326 -1.079 1.00 0.00 C ATOM 1269 C LEU A 87 -7.462 -5.392 -1.877 1.00 0.00 C ATOM 1270 O LEU A 87 -6.932 -6.480 -2.105 1.00 0.00 O ATOM 1271 CB LEU A 87 -5.666 -3.651 -1.956 1.00 0.00 C ATOM 1272 CG LEU A 87 -5.128 -2.319 -1.426 1.00 0.00 C ATOM 1273 CD1 LEU A 87 -4.072 -1.762 -2.367 1.00 0.00 C ATOM 1274 CD2 LEU A 87 -6.257 -1.315 -1.246 1.00 0.00 C ATOM 0 H LEU A 87 -5.228 -5.406 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.424 -3.558 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.829 -4.338 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.091 -3.484 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.670 -2.499 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.700 -0.815 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.248 -2.470 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.511 -1.601 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.852 -0.376 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.745 -1.140 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.984 -1.708 -0.535 1.00 0.00 H new ATOM 1286 N GLU A 88 -8.680 -5.083 -2.300 1.00 0.00 N ATOM 1287 CA GLU A 88 -9.480 -6.041 -3.050 1.00 0.00 C ATOM 1288 C GLU A 88 -9.823 -5.501 -4.437 1.00 0.00 C ATOM 1289 O GLU A 88 -10.622 -4.576 -4.568 1.00 0.00 O ATOM 1290 CB GLU A 88 -10.757 -6.376 -2.278 1.00 0.00 C ATOM 1291 CG GLU A 88 -10.497 -6.995 -0.911 1.00 0.00 C ATOM 1292 CD GLU A 88 -11.775 -7.298 -0.156 1.00 0.00 C ATOM 1293 OE1 GLU A 88 -12.265 -6.403 0.566 1.00 0.00 O ATOM 1294 OE2 GLU A 88 -12.287 -8.430 -0.285 1.00 0.00 O ATOM 0 H GLU A 88 -9.133 -4.184 -2.138 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.894 -6.951 -3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.344 -5.466 -2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.360 -7.064 -2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.926 -7.915 -1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.882 -6.316 -0.320 1.00 0.00 H new ATOM 1301 N PRO A 89 -9.229 -6.084 -5.493 1.00 0.00 N ATOM 1302 CA PRO A 89 -9.465 -5.646 -6.874 1.00 0.00 C ATOM 1303 C PRO A 89 -10.934 -5.714 -7.270 1.00 0.00 C ATOM 1304 O PRO A 89 -11.723 -6.439 -6.663 1.00 0.00 O ATOM 1305 CB PRO A 89 -8.641 -6.624 -7.717 1.00 0.00 C ATOM 1306 CG PRO A 89 -8.373 -7.785 -6.820 1.00 0.00 C ATOM 1307 CD PRO A 89 -8.293 -7.219 -5.435 1.00 0.00 C ATOM 0 HA PRO A 89 -9.182 -4.602 -7.013 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.188 -6.933 -8.608 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.712 -6.166 -8.056 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.167 -8.528 -6.894 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.443 -8.284 -7.093 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.589 -7.949 -4.682 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.282 -6.897 -5.187 1.00 0.00 H new ATOM 1315 N LYS A 90 -11.289 -4.950 -8.296 1.00 0.00 N ATOM 1316 CA LYS A 90 -12.657 -4.909 -8.793 1.00 0.00 C ATOM 1317 C LYS A 90 -12.691 -5.212 -10.286 1.00 0.00 C ATOM 1318 O LYS A 90 -13.756 -5.232 -10.901 1.00 0.00 O ATOM 1319 CB LYS A 90 -13.278 -3.537 -8.530 1.00 0.00 C ATOM 1320 CG LYS A 90 -13.224 -3.114 -7.071 1.00 0.00 C ATOM 1321 CD LYS A 90 -13.884 -1.761 -6.854 1.00 0.00 C ATOM 1322 CE LYS A 90 -15.379 -1.815 -7.129 1.00 0.00 C ATOM 1323 NZ LYS A 90 -16.037 -0.499 -6.891 1.00 0.00 N ATOM 0 H LYS A 90 -10.642 -4.346 -8.803 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.235 -5.668 -8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.762 -2.792 -9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.317 -3.549 -8.858 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.721 -3.864 -6.456 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.185 -3.069 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.714 -1.433 -5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.420 -1.021 -7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.547 -2.123 -8.161 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.838 -2.571 -6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.055 -0.579 -7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.899 -0.216 -5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.617 0.217 -7.517 1.00 0.00 H new ATOM 1337 N GLN A 91 -11.515 -5.449 -10.862 1.00 0.00 N ATOM 1338 CA GLN A 91 -11.414 -5.747 -12.287 1.00 0.00 C ATOM 1339 C GLN A 91 -12.176 -7.022 -12.628 1.00 0.00 C ATOM 1340 O GLN A 91 -13.133 -6.999 -13.401 1.00 0.00 O ATOM 1341 CB GLN A 91 -9.949 -5.892 -12.702 1.00 0.00 C ATOM 1342 CG GLN A 91 -9.037 -4.832 -12.105 1.00 0.00 C ATOM 1343 CD GLN A 91 -7.611 -4.931 -12.611 1.00 0.00 C ATOM 1344 OE1 GLN A 91 -6.664 -4.597 -11.899 1.00 0.00 O ATOM 1345 NE2 GLN A 91 -7.449 -5.387 -13.848 1.00 0.00 N ATOM 0 H GLN A 91 -10.623 -5.441 -10.367 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.858 -4.917 -12.837 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.591 -6.877 -12.402 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.882 -5.846 -13.789 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.433 -3.844 -12.340 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -9.040 -4.927 -11.019 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.262 -5.653 -14.404 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -6.512 -5.471 -14.242 1.00 0.00 H new ATOM 1354 N GLN A 92 -11.743 -8.132 -12.043 1.00 0.00 N ATOM 1355 CA GLN A 92 -12.377 -9.424 -12.278 1.00 0.00 C ATOM 1356 C GLN A 92 -12.019 -10.418 -11.175 1.00 0.00 C ATOM 1357 O GLN A 92 -12.722 -10.522 -10.169 1.00 0.00 O ATOM 1358 CB GLN A 92 -11.964 -9.982 -13.643 1.00 0.00 C ATOM 1359 CG GLN A 92 -10.587 -9.523 -14.103 1.00 0.00 C ATOM 1360 CD GLN A 92 -10.187 -10.120 -15.438 1.00 0.00 C ATOM 1361 OE1 GLN A 92 -9.457 -9.501 -16.213 1.00 0.00 O ATOM 1362 NE2 GLN A 92 -10.657 -11.331 -15.714 1.00 0.00 N ATOM 0 H GLN A 92 -10.952 -8.163 -11.400 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.457 -9.275 -12.269 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.978 -11.071 -13.599 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.703 -9.683 -14.386 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.577 -8.436 -14.178 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -9.847 -9.797 -13.351 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.259 -11.809 -15.044 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.416 -11.783 -16.596 1.00 0.00 H new ATOM 1371 N GLY A 93 -10.924 -11.145 -11.371 1.00 0.00 N ATOM 1372 CA GLY A 93 -10.488 -12.115 -10.386 1.00 0.00 C ATOM 1373 C GLY A 93 -9.063 -11.867 -9.935 1.00 0.00 C ATOM 1374 O GLY A 93 -8.393 -12.772 -9.439 1.00 0.00 O ATOM 0 H GLY A 93 -10.330 -11.079 -12.197 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.153 -12.079 -9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.566 -13.118 -10.806 1.00 0.00 H new ATOM 1378 N ASP A 94 -8.603 -10.632 -10.115 1.00 0.00 N ATOM 1379 CA ASP A 94 -7.247 -10.252 -9.728 1.00 0.00 C ATOM 1380 C ASP A 94 -6.977 -10.612 -8.266 1.00 0.00 C ATOM 1381 O ASP A 94 -7.909 -10.774 -7.478 1.00 0.00 O ATOM 1382 CB ASP A 94 -7.035 -8.751 -9.942 1.00 0.00 C ATOM 1383 CG ASP A 94 -8.022 -8.160 -10.927 1.00 0.00 C ATOM 1384 OD1 ASP A 94 -9.174 -7.895 -10.525 1.00 0.00 O ATOM 1385 OD2 ASP A 94 -7.645 -7.966 -12.102 1.00 0.00 O ATOM 0 H ASP A 94 -9.150 -9.876 -10.527 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.548 -10.805 -10.356 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.127 -8.235 -8.987 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.021 -8.578 -10.301 1.00 0.00 H new ATOM 1390 N PRO A 95 -5.692 -10.742 -7.886 1.00 0.00 N ATOM 1391 CA PRO A 95 -5.303 -11.088 -6.519 1.00 0.00 C ATOM 1392 C PRO A 95 -5.265 -9.876 -5.587 1.00 0.00 C ATOM 1393 O PRO A 95 -5.070 -8.746 -6.035 1.00 0.00 O ATOM 1394 CB PRO A 95 -3.901 -11.654 -6.708 1.00 0.00 C ATOM 1395 CG PRO A 95 -3.348 -10.895 -7.866 1.00 0.00 C ATOM 1396 CD PRO A 95 -4.517 -10.567 -8.760 1.00 0.00 C ATOM 0 HA PRO A 95 -6.010 -11.773 -6.051 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.292 -11.515 -5.814 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.929 -12.725 -6.911 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.849 -9.986 -7.531 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.606 -11.488 -8.400 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.453 -9.549 -9.144 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.559 -11.231 -9.623 1.00 0.00 H new ATOM 1404 N PRO A 96 -5.452 -10.099 -4.271 1.00 0.00 N ATOM 1405 CA PRO A 96 -5.431 -9.027 -3.274 1.00 0.00 C ATOM 1406 C PRO A 96 -4.011 -8.671 -2.839 1.00 0.00 C ATOM 1407 O PRO A 96 -3.062 -9.394 -3.143 1.00 0.00 O ATOM 1408 CB PRO A 96 -6.209 -9.634 -2.111 1.00 0.00 C ATOM 1409 CG PRO A 96 -5.919 -11.094 -2.190 1.00 0.00 C ATOM 1410 CD PRO A 96 -5.706 -11.415 -3.650 1.00 0.00 C ATOM 0 HA PRO A 96 -5.852 -8.096 -3.654 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.887 -9.216 -1.157 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -7.277 -9.436 -2.201 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.034 -11.345 -1.605 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.746 -11.676 -1.782 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.864 -12.092 -3.791 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.581 -11.899 -4.084 1.00 0.00 H new ATOM 1418 N VAL A 97 -3.871 -7.556 -2.128 1.00 0.00 N ATOM 1419 CA VAL A 97 -2.562 -7.112 -1.653 1.00 0.00 C ATOM 1420 C VAL A 97 -2.621 -6.709 -0.181 1.00 0.00 C ATOM 1421 O VAL A 97 -3.492 -5.943 0.227 1.00 0.00 O ATOM 1422 CB VAL A 97 -2.037 -5.924 -2.481 1.00 0.00 C ATOM 1423 CG1 VAL A 97 -0.624 -5.557 -2.055 1.00 0.00 C ATOM 1424 CG2 VAL A 97 -2.084 -6.247 -3.967 1.00 0.00 C ATOM 0 H VAL A 97 -4.645 -6.944 -1.868 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.879 -7.954 -1.770 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.682 -5.065 -2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.271 -4.716 -2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.622 -5.280 -1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.035 -6.412 -2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.709 -5.396 -4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.464 -7.120 -4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.112 -6.456 -4.262 1.00 0.00 H new ATOM 1434 N GLU A 98 -1.685 -7.226 0.611 1.00 0.00 N ATOM 1435 CA GLU A 98 -1.640 -6.927 2.038 1.00 0.00 C ATOM 1436 C GLU A 98 -0.618 -5.838 2.353 1.00 0.00 C ATOM 1437 O GLU A 98 0.463 -5.794 1.764 1.00 0.00 O ATOM 1438 CB GLU A 98 -1.304 -8.190 2.834 1.00 0.00 C ATOM 1439 CG GLU A 98 -2.397 -9.245 2.805 1.00 0.00 C ATOM 1440 CD GLU A 98 -2.686 -9.757 1.407 1.00 0.00 C ATOM 1441 OE1 GLU A 98 -1.938 -10.637 0.931 1.00 0.00 O ATOM 1442 OE2 GLU A 98 -3.662 -9.282 0.790 1.00 0.00 O ATOM 0 H GLU A 98 -0.948 -7.853 0.288 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.626 -6.563 2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.385 -8.622 2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.107 -7.913 3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.104 -10.082 3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.310 -8.827 3.229 1.00 0.00 H new ATOM 1449 N PHE A 99 -0.972 -4.960 3.288 1.00 0.00 N ATOM 1450 CA PHE A 99 -0.091 -3.872 3.706 1.00 0.00 C ATOM 1451 C PHE A 99 0.038 -3.847 5.228 1.00 0.00 C ATOM 1452 O PHE A 99 -0.806 -4.394 5.936 1.00 0.00 O ATOM 1453 CB PHE A 99 -0.631 -2.525 3.224 1.00 0.00 C ATOM 1454 CG PHE A 99 -0.652 -2.357 1.732 1.00 0.00 C ATOM 1455 CD1 PHE A 99 -1.578 -3.034 0.957 1.00 0.00 C ATOM 1456 CD2 PHE A 99 0.247 -1.507 1.108 1.00 0.00 C ATOM 1457 CE1 PHE A 99 -1.605 -2.869 -0.414 1.00 0.00 C ATOM 1458 CE2 PHE A 99 0.226 -1.339 -0.263 1.00 0.00 C ATOM 1459 CZ PHE A 99 -0.702 -2.022 -1.025 1.00 0.00 C ATOM 0 H PHE A 99 -1.869 -4.981 3.774 1.00 0.00 H new ATOM 0 HA PHE A 99 0.889 -4.044 3.262 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.644 -2.397 3.605 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.025 -1.729 3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.287 -3.698 1.429 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.973 -0.970 1.700 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.332 -3.402 -1.008 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.933 -0.675 -0.738 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.721 -1.894 -2.097 1.00 0.00 H new ATOM 1469 N ALA A 100 1.093 -3.208 5.729 1.00 0.00 N ATOM 1470 CA ALA A 100 1.308 -3.119 7.171 1.00 0.00 C ATOM 1471 C ALA A 100 2.235 -1.963 7.536 1.00 0.00 C ATOM 1472 O ALA A 100 2.971 -1.451 6.692 1.00 0.00 O ATOM 1473 CB ALA A 100 1.870 -4.429 7.701 1.00 0.00 C ATOM 0 H ALA A 100 1.806 -2.748 5.163 1.00 0.00 H new ATOM 0 HA ALA A 100 0.341 -2.927 7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.026 -4.349 8.777 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.167 -5.236 7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.820 -4.642 7.212 1.00 0.00 H new ATOM 1479 N THR A 101 2.187 -1.560 8.804 1.00 0.00 N ATOM 1480 CA THR A 101 3.023 -0.472 9.302 1.00 0.00 C ATOM 1481 C THR A 101 3.679 -0.857 10.625 1.00 0.00 C ATOM 1482 O THR A 101 3.561 -1.997 11.075 1.00 0.00 O ATOM 1483 CB THR A 101 2.208 0.821 9.507 1.00 0.00 C ATOM 1484 OG1 THR A 101 1.056 0.553 10.315 1.00 0.00 O ATOM 1485 CG2 THR A 101 1.775 1.408 8.173 1.00 0.00 C ATOM 0 H THR A 101 1.575 -1.973 9.507 1.00 0.00 H new ATOM 0 HA THR A 101 3.790 -0.290 8.549 1.00 0.00 H new ATOM 0 HB THR A 101 2.844 1.547 10.013 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.094 1.096 11.130 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.202 2.319 8.345 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.656 1.641 7.575 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.156 0.685 7.641 1.00 0.00 H new ATOM 1493 N ASP A 102 4.369 0.096 11.243 1.00 0.00 N ATOM 1494 CA ASP A 102 5.040 -0.149 12.515 1.00 0.00 C ATOM 1495 C ASP A 102 4.487 0.762 13.606 1.00 0.00 C ATOM 1496 O ASP A 102 4.927 0.708 14.755 1.00 0.00 O ATOM 1497 CB ASP A 102 6.548 0.064 12.373 1.00 0.00 C ATOM 1498 CG ASP A 102 7.176 -0.890 11.377 1.00 0.00 C ATOM 1499 OD1 ASP A 102 7.235 -0.543 10.179 1.00 0.00 O ATOM 1500 OD2 ASP A 102 7.609 -1.985 11.793 1.00 0.00 O ATOM 0 H ASP A 102 4.478 1.045 10.884 1.00 0.00 H new ATOM 0 HA ASP A 102 4.853 -1.184 12.800 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.739 1.090 12.059 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.023 -0.066 13.345 1.00 0.00 H new ATOM 1505 N ARG A 103 3.522 1.598 13.238 1.00 0.00 N ATOM 1506 CA ARG A 103 2.906 2.525 14.182 1.00 0.00 C ATOM 1507 C ARG A 103 1.426 2.707 13.871 1.00 0.00 C ATOM 1508 O ARG A 103 0.971 2.401 12.768 1.00 0.00 O ATOM 1509 CB ARG A 103 3.613 3.881 14.140 1.00 0.00 C ATOM 1510 CG ARG A 103 5.095 3.811 14.471 1.00 0.00 C ATOM 1511 CD ARG A 103 5.720 5.194 14.522 1.00 0.00 C ATOM 1512 NE ARG A 103 5.160 6.010 15.595 1.00 0.00 N ATOM 1513 CZ ARG A 103 5.654 7.190 15.960 1.00 0.00 C ATOM 1514 NH1 ARG A 103 6.714 7.691 15.338 1.00 0.00 N ATOM 1515 NH2 ARG A 103 5.088 7.870 16.947 1.00 0.00 N ATOM 0 H ARG A 103 3.148 1.653 12.290 1.00 0.00 H new ATOM 0 HA ARG A 103 3.005 2.103 15.182 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.492 4.313 13.146 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.125 4.557 14.842 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.231 3.313 15.431 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.608 3.206 13.723 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.797 5.100 14.663 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.566 5.696 13.567 1.00 0.00 H new ATOM 0 HE ARG A 103 4.344 5.655 16.093 1.00 0.00 H new ATOM 0 HH11 ARG A 103 7.152 7.171 14.578 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.090 8.596 15.620 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.273 7.489 17.427 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.467 8.775 17.226 1.00 0.00 H new ATOM 1529 N VAL A 104 0.677 3.208 14.849 1.00 0.00 N ATOM 1530 CA VAL A 104 -0.752 3.431 14.675 1.00 0.00 C ATOM 1531 C VAL A 104 -1.013 4.707 13.878 1.00 0.00 C ATOM 1532 O VAL A 104 -1.999 4.804 13.148 1.00 0.00 O ATOM 1533 CB VAL A 104 -1.482 3.516 16.031 1.00 0.00 C ATOM 1534 CG1 VAL A 104 -1.020 4.734 16.817 1.00 0.00 C ATOM 1535 CG2 VAL A 104 -2.988 3.539 15.826 1.00 0.00 C ATOM 0 H VAL A 104 1.036 3.466 15.768 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.142 2.576 14.123 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.232 2.628 16.612 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.548 4.774 17.770 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.052 4.664 16.999 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.233 5.638 16.246 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.486 3.599 16.794 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.260 4.406 15.223 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.299 2.629 15.314 1.00 0.00 H new ATOM 1545 N GLU A 105 -0.120 5.683 14.023 1.00 0.00 N ATOM 1546 CA GLU A 105 -0.251 6.951 13.313 1.00 0.00 C ATOM 1547 C GLU A 105 0.006 6.762 11.823 1.00 0.00 C ATOM 1548 O GLU A 105 -0.798 7.173 10.987 1.00 0.00 O ATOM 1549 CB GLU A 105 0.720 7.985 13.885 1.00 0.00 C ATOM 1550 CG GLU A 105 0.484 8.294 15.355 1.00 0.00 C ATOM 1551 CD GLU A 105 1.456 9.322 15.898 1.00 0.00 C ATOM 1552 OE1 GLU A 105 1.151 10.530 15.816 1.00 0.00 O ATOM 1553 OE2 GLU A 105 2.523 8.918 16.407 1.00 0.00 O ATOM 0 H GLU A 105 0.701 5.620 14.625 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.270 7.313 13.447 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.740 7.623 13.758 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.635 8.907 13.310 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.535 8.658 15.487 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.572 7.375 15.934 1.00 0.00 H new ATOM 1560 N GLU A 106 1.135 6.139 11.497 1.00 0.00 N ATOM 1561 CA GLU A 106 1.494 5.886 10.107 1.00 0.00 C ATOM 1562 C GLU A 106 0.430 5.024 9.439 1.00 0.00 C ATOM 1563 O GLU A 106 0.209 5.112 8.231 1.00 0.00 O ATOM 1564 CB GLU A 106 2.851 5.183 10.024 1.00 0.00 C ATOM 1565 CG GLU A 106 3.932 5.835 10.869 1.00 0.00 C ATOM 1566 CD GLU A 106 4.255 7.246 10.418 1.00 0.00 C ATOM 1567 OE1 GLU A 106 3.607 8.191 10.915 1.00 0.00 O ATOM 1568 OE2 GLU A 106 5.155 7.406 9.567 1.00 0.00 O ATOM 0 H GLU A 106 1.816 5.801 12.177 1.00 0.00 H new ATOM 0 HA GLU A 106 1.559 6.843 9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.732 4.146 10.339 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.177 5.165 8.984 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.611 5.855 11.910 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.836 5.228 10.826 1.00 0.00 H new ATOM 1575 N LEU A 107 -0.223 4.190 10.241 1.00 0.00 N ATOM 1576 CA LEU A 107 -1.266 3.304 9.742 1.00 0.00 C ATOM 1577 C LEU A 107 -2.442 4.102 9.197 1.00 0.00 C ATOM 1578 O LEU A 107 -2.822 3.957 8.036 1.00 0.00 O ATOM 1579 CB LEU A 107 -1.759 2.381 10.860 1.00 0.00 C ATOM 1580 CG LEU A 107 -2.763 1.315 10.418 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -2.043 0.017 10.106 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -3.822 1.090 11.485 1.00 0.00 C ATOM 0 H LEU A 107 -0.047 4.110 11.242 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.839 2.707 8.936 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.898 1.885 11.308 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.217 2.990 11.639 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.262 1.668 9.516 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.767 -0.735 9.792 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.323 0.184 9.305 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.520 -0.332 10.996 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.524 0.328 11.146 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.345 0.760 12.408 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.358 2.021 11.667 1.00 0.00 H new ATOM 1594 N PHE A 108 -3.005 4.955 10.041 1.00 0.00 N ATOM 1595 CA PHE A 108 -4.150 5.764 9.656 1.00 0.00 C ATOM 1596 C PHE A 108 -3.795 6.743 8.541 1.00 0.00 C ATOM 1597 O PHE A 108 -4.571 6.940 7.619 1.00 0.00 O ATOM 1598 CB PHE A 108 -4.690 6.525 10.866 1.00 0.00 C ATOM 1599 CG PHE A 108 -6.191 6.571 10.922 1.00 0.00 C ATOM 1600 CD1 PHE A 108 -6.919 5.428 11.209 1.00 0.00 C ATOM 1601 CD2 PHE A 108 -6.870 7.756 10.689 1.00 0.00 C ATOM 1602 CE1 PHE A 108 -8.299 5.466 11.263 1.00 0.00 C ATOM 1603 CE2 PHE A 108 -8.251 7.799 10.741 1.00 0.00 C ATOM 1604 CZ PHE A 108 -8.966 6.653 11.029 1.00 0.00 C ATOM 0 H PHE A 108 -2.686 5.104 10.998 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.920 5.090 9.280 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -4.314 6.058 11.777 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.303 7.544 10.847 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -6.402 4.497 11.392 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.315 8.655 10.465 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.856 4.568 11.488 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -8.770 8.728 10.557 1.00 0.00 H new ATOM 0 HZ PHE A 108 -10.045 6.685 11.071 1.00 0.00 H new ATOM 1614 N GLU A 109 -2.618 7.343 8.622 1.00 0.00 N ATOM 1615 CA GLU A 109 -2.190 8.315 7.620 1.00 0.00 C ATOM 1616 C GLU A 109 -2.178 7.723 6.208 1.00 0.00 C ATOM 1617 O GLU A 109 -2.877 8.206 5.310 1.00 0.00 O ATOM 1618 CB GLU A 109 -0.795 8.834 7.974 1.00 0.00 C ATOM 1619 CG GLU A 109 -0.231 9.825 6.969 1.00 0.00 C ATOM 1620 CD GLU A 109 -1.037 11.107 6.895 1.00 0.00 C ATOM 1621 OE1 GLU A 109 -1.981 11.168 6.082 1.00 0.00 O ATOM 1622 OE2 GLU A 109 -0.721 12.050 7.651 1.00 0.00 O ATOM 0 H GLU A 109 -1.942 7.177 9.367 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.909 9.134 7.625 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.833 9.308 8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.113 7.987 8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.798 10.063 7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.204 9.361 5.983 1.00 0.00 H new ATOM 1629 N TRP A 110 -1.404 6.661 6.024 1.00 0.00 N ATOM 1630 CA TRP A 110 -1.272 6.016 4.720 1.00 0.00 C ATOM 1631 C TRP A 110 -2.552 5.315 4.273 1.00 0.00 C ATOM 1632 O TRP A 110 -3.013 5.505 3.147 1.00 0.00 O ATOM 1633 CB TRP A 110 -0.131 4.999 4.758 1.00 0.00 C ATOM 1634 CG TRP A 110 1.164 5.531 4.230 1.00 0.00 C ATOM 1635 CD1 TRP A 110 2.220 5.996 4.960 1.00 0.00 C ATOM 1636 CD2 TRP A 110 1.542 5.647 2.856 1.00 0.00 C ATOM 1637 NE1 TRP A 110 3.233 6.392 4.121 1.00 0.00 N ATOM 1638 CE2 TRP A 110 2.839 6.188 2.824 1.00 0.00 C ATOM 1639 CE3 TRP A 110 0.908 5.344 1.646 1.00 0.00 C ATOM 1640 CZ2 TRP A 110 3.515 6.432 1.633 1.00 0.00 C ATOM 1641 CZ3 TRP A 110 1.580 5.587 0.464 1.00 0.00 C ATOM 1642 CH2 TRP A 110 2.873 6.126 0.465 1.00 0.00 C ATOM 0 H TRP A 110 -0.855 6.225 6.764 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.061 6.805 3.998 1.00 0.00 H new ATOM 0 HB2 TRP A 110 0.014 4.667 5.786 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.418 4.122 4.177 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.254 6.045 6.038 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.131 6.775 4.415 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.089 4.928 1.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.512 6.848 1.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.101 5.358 -0.476 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.373 6.303 -0.476 1.00 0.00 H new ATOM 1653 N PHE A 111 -3.120 4.508 5.155 1.00 0.00 N ATOM 1654 CA PHE A 111 -4.321 3.745 4.834 1.00 0.00 C ATOM 1655 C PHE A 111 -5.553 4.627 4.648 1.00 0.00 C ATOM 1656 O PHE A 111 -6.445 4.284 3.873 1.00 0.00 O ATOM 1657 CB PHE A 111 -4.539 2.668 5.892 1.00 0.00 C ATOM 1658 CG PHE A 111 -3.490 1.597 5.802 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -3.257 0.955 4.597 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -2.722 1.252 6.899 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -2.282 -0.013 4.490 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -1.741 0.284 6.796 1.00 0.00 C ATOM 1663 CZ PHE A 111 -1.521 -0.349 5.591 1.00 0.00 C ATOM 0 H PHE A 111 -2.769 4.363 6.102 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.167 3.264 3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.517 3.119 6.884 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.527 2.225 5.765 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.847 1.216 3.731 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.890 1.744 7.846 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.114 -0.508 3.545 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.147 0.023 7.659 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.755 -1.106 5.509 1.00 0.00 H new ATOM 1673 N GLN A 112 -5.612 5.755 5.346 1.00 0.00 N ATOM 1674 CA GLN A 112 -6.745 6.661 5.193 1.00 0.00 C ATOM 1675 C GLN A 112 -6.691 7.301 3.813 1.00 0.00 C ATOM 1676 O GLN A 112 -7.724 7.573 3.206 1.00 0.00 O ATOM 1677 CB GLN A 112 -6.747 7.736 6.285 1.00 0.00 C ATOM 1678 CG GLN A 112 -8.049 8.510 6.395 1.00 0.00 C ATOM 1679 CD GLN A 112 -8.216 9.545 5.300 1.00 0.00 C ATOM 1680 OE1 GLN A 112 -7.238 10.091 4.791 1.00 0.00 O ATOM 1681 NE2 GLN A 112 -9.463 9.823 4.934 1.00 0.00 N ATOM 0 H GLN A 112 -4.903 6.061 6.012 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.668 6.091 5.294 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -6.536 7.264 7.244 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -5.936 8.437 6.090 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -8.885 7.812 6.358 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.090 9.005 7.365 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -10.245 9.346 5.383 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -9.638 10.513 4.204 1.00 0.00 H new ATOM 1690 N SER A 113 -5.473 7.539 3.323 1.00 0.00 N ATOM 1691 CA SER A 113 -5.282 8.119 1.998 1.00 0.00 C ATOM 1692 C SER A 113 -5.697 7.120 0.922 1.00 0.00 C ATOM 1693 O SER A 113 -6.371 7.482 -0.043 1.00 0.00 O ATOM 1694 CB SER A 113 -3.822 8.532 1.798 1.00 0.00 C ATOM 1695 OG SER A 113 -3.622 9.094 0.513 1.00 0.00 O ATOM 0 H SER A 113 -4.608 7.339 3.825 1.00 0.00 H new ATOM 0 HA SER A 113 -5.908 9.008 1.916 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.537 9.255 2.563 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.175 7.664 1.923 1.00 0.00 H new ATOM 0 HG SER A 113 -2.682 9.351 0.411 1.00 0.00 H new ATOM 1701 N ILE A 114 -5.287 5.863 1.083 1.00 0.00 N ATOM 1702 CA ILE A 114 -5.655 4.824 0.129 1.00 0.00 C ATOM 1703 C ILE A 114 -7.174 4.706 0.076 1.00 0.00 C ATOM 1704 O ILE A 114 -7.757 4.462 -0.979 1.00 0.00 O ATOM 1705 CB ILE A 114 -5.041 3.452 0.495 1.00 0.00 C ATOM 1706 CG1 ILE A 114 -3.508 3.514 0.426 1.00 0.00 C ATOM 1707 CG2 ILE A 114 -5.576 2.367 -0.431 1.00 0.00 C ATOM 1708 CD1 ILE A 114 -2.820 2.198 0.744 1.00 0.00 C ATOM 0 H ILE A 114 -4.706 5.544 1.858 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.260 5.110 -0.846 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.328 3.205 1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.213 3.834 -0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.154 4.274 1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.135 1.408 -0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.660 2.308 -0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.317 2.608 -1.462 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.740 2.326 0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.083 1.885 1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.143 1.438 0.033 1.00 0.00 H new ATOM 1720 N ARG A 115 -7.801 4.886 1.235 1.00 0.00 N ATOM 1721 CA ARG A 115 -9.252 4.831 1.345 1.00 0.00 C ATOM 1722 C ARG A 115 -9.874 6.117 0.811 1.00 0.00 C ATOM 1723 O ARG A 115 -10.993 6.118 0.306 1.00 0.00 O ATOM 1724 CB ARG A 115 -9.667 4.613 2.803 1.00 0.00 C ATOM 1725 CG ARG A 115 -9.374 3.216 3.321 1.00 0.00 C ATOM 1726 CD ARG A 115 -9.948 3.012 4.714 1.00 0.00 C ATOM 1727 NE ARG A 115 -9.757 1.645 5.190 1.00 0.00 N ATOM 1728 CZ ARG A 115 -10.602 1.024 6.008 1.00 0.00 C ATOM 1729 NH1 ARG A 115 -11.689 1.648 6.443 1.00 0.00 N ATOM 1730 NH2 ARG A 115 -10.361 -0.221 6.393 1.00 0.00 N ATOM 0 H ARG A 115 -7.321 5.072 2.116 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.612 3.993 0.748 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.150 5.339 3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.735 4.810 2.901 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.796 2.477 2.640 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.297 3.052 3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -9.473 3.707 5.407 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.012 3.247 4.706 1.00 0.00 H new ATOM 0 HE ARG A 115 -8.929 1.138 4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -11.878 2.607 6.150 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -12.335 1.169 7.070 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -9.526 -0.705 6.062 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -11.010 -0.696 7.020 1.00 0.00 H new ATOM 1744 N GLU A 116 -9.124 7.209 0.902 1.00 0.00 N ATOM 1745 CA GLU A 116 -9.601 8.507 0.439 1.00 0.00 C ATOM 1746 C GLU A 116 -10.007 8.446 -1.029 1.00 0.00 C ATOM 1747 O GLU A 116 -10.735 9.311 -1.519 1.00 0.00 O ATOM 1748 CB GLU A 116 -8.517 9.572 0.637 1.00 0.00 C ATOM 1749 CG GLU A 116 -8.584 10.274 1.983 1.00 0.00 C ATOM 1750 CD GLU A 116 -7.574 11.399 2.104 1.00 0.00 C ATOM 1751 OE1 GLU A 116 -6.409 11.116 2.453 1.00 0.00 O ATOM 1752 OE2 GLU A 116 -7.948 12.563 1.848 1.00 0.00 O ATOM 0 H GLU A 116 -8.182 7.221 1.293 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.478 8.775 1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.538 9.105 0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.603 10.316 -0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.587 10.674 2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.410 9.547 2.777 1.00 0.00 H new ATOM 1759 N ILE A 117 -9.533 7.419 -1.724 1.00 0.00 N ATOM 1760 CA ILE A 117 -9.839 7.249 -3.138 1.00 0.00 C ATOM 1761 C ILE A 117 -10.794 6.077 -3.381 1.00 0.00 C ATOM 1762 O ILE A 117 -11.505 6.048 -4.385 1.00 0.00 O ATOM 1763 CB ILE A 117 -8.550 7.031 -3.952 1.00 0.00 C ATOM 1764 CG1 ILE A 117 -7.592 8.206 -3.747 1.00 0.00 C ATOM 1765 CG2 ILE A 117 -8.876 6.859 -5.428 1.00 0.00 C ATOM 1766 CD1 ILE A 117 -6.158 7.894 -4.113 1.00 0.00 C ATOM 0 H ILE A 117 -8.935 6.692 -1.331 1.00 0.00 H new ATOM 0 HA ILE A 117 -10.330 8.165 -3.467 1.00 0.00 H new ATOM 0 HB ILE A 117 -8.064 6.121 -3.600 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.934 9.051 -4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.632 8.517 -2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.954 6.706 -5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -9.528 5.995 -5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -9.380 7.753 -5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -5.539 8.774 -3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -5.796 7.070 -3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.104 7.612 -5.165 1.00 0.00 H new ATOM 1778 N THR A 118 -10.817 5.115 -2.458 1.00 0.00 N ATOM 1779 CA THR A 118 -11.680 3.943 -2.609 1.00 0.00 C ATOM 1780 C THR A 118 -12.624 3.758 -1.423 1.00 0.00 C ATOM 1781 O THR A 118 -13.054 2.641 -1.135 1.00 0.00 O ATOM 1782 CB THR A 118 -10.845 2.660 -2.774 1.00 0.00 C ATOM 1783 OG1 THR A 118 -10.110 2.397 -1.575 1.00 0.00 O ATOM 1784 CG2 THR A 118 -9.884 2.791 -3.943 1.00 0.00 C ATOM 0 H THR A 118 -10.255 5.123 -1.607 1.00 0.00 H new ATOM 0 HA THR A 118 -12.276 4.121 -3.504 1.00 0.00 H new ATOM 0 HB THR A 118 -11.525 1.832 -2.972 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.408 3.072 -1.467 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.304 1.873 -4.042 1.00 0.00 H new ATOM 0 HG22 THR A 118 -10.448 2.964 -4.860 1.00 0.00 H new ATOM 0 HG23 THR A 118 -9.210 3.629 -3.768 1.00 0.00 H new ATOM 1792 N TRP A 119 -12.953 4.849 -0.745 1.00 0.00 N ATOM 1793 CA TRP A 119 -13.847 4.784 0.406 1.00 0.00 C ATOM 1794 C TRP A 119 -14.816 5.968 0.423 1.00 0.00 C ATOM 1795 O TRP A 119 -15.764 5.990 1.207 1.00 0.00 O ATOM 1796 CB TRP A 119 -13.022 4.739 1.693 1.00 0.00 C ATOM 1797 CG TRP A 119 -13.835 4.688 2.946 1.00 0.00 C ATOM 1798 CD1 TRP A 119 -13.861 5.627 3.932 1.00 0.00 C ATOM 1799 CD2 TRP A 119 -14.733 3.649 3.352 1.00 0.00 C ATOM 1800 NE1 TRP A 119 -14.714 5.235 4.932 1.00 0.00 N ATOM 1801 CE2 TRP A 119 -15.266 4.026 4.599 1.00 0.00 C ATOM 1802 CE3 TRP A 119 -15.138 2.438 2.784 1.00 0.00 C ATOM 1803 CZ2 TRP A 119 -16.182 3.234 5.288 1.00 0.00 C ATOM 1804 CZ3 TRP A 119 -16.048 1.653 3.468 1.00 0.00 C ATOM 1805 CH2 TRP A 119 -16.561 2.054 4.708 1.00 0.00 C ATOM 0 H TRP A 119 -12.617 5.786 -0.969 1.00 0.00 H new ATOM 0 HA TRP A 119 -14.445 3.875 0.333 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.370 3.866 1.662 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -12.378 5.617 1.728 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.293 6.546 3.927 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -14.906 5.759 5.786 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -14.747 2.121 1.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -16.578 3.540 6.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -16.368 0.715 3.039 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -17.271 1.419 5.217 1.00 0.00 H new