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 20 MET CE :methyl 177:sc= -1.55 (180deg=-1.58) USER MOD Set 1.2: A 29 THR OG1 : rot 49:sc= 0.86 USER MOD Set 1.3: A 31 HIS : no HE2:sc= 0.511 K(o=-0.18,f=-5!) USER MOD Set 2.1: A 15 GLN : amide:sc= -0.315 K(o=-0.64,f=-2.9!) USER MOD Set 2.2: A 32 TYR OH : rot 130:sc= -0.322 USER MOD Single : A 14 GLN : amide:sc= -0.952 K(o=-0.95,f=-5.5!) USER MOD Single : A 19 TYR OH : rot 130:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.203 K(o=-0.2,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= -2.87! (180deg=-3.73!) USER MOD Single : A 33 CYS SG : rot -170:sc= -1.28 USER MOD Single : A 39 LYS NZ :NH3+ 159:sc= -0.107 (180deg=-0.511) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.262 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.00919 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.03 K(o=-1,f=-4.1!) USER MOD Single : A 73 LYS NZ :NH3+ -179:sc= -0.309! (180deg=-0.404) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= -1.06! (180deg=-1.72!) USER MOD Single : A 79 ASN : amide:sc= -3.62! K(o=-3.6!,f=-2.1) USER MOD Single : A 80 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.79) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -105:sc= 0.192 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0784 K(o=-0.078,f=-1.4) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 120:sc= 0.43 USER MOD Single : A 112 GLN : amide:sc= -2.83 K(o=-2.8,f=-7.2!) USER MOD Single : A 113 SER OG : rot 150:sc=-0.00317 USER MOD Single : A 118 THR OG1 : rot 154:sc= 0.307 USER MOD ----------------------------------------------------------------- ATOM 112 N GLN A 14 0.472 11.908 -1.059 1.00 0.00 N ATOM 113 CA GLN A 14 1.156 11.215 0.020 1.00 0.00 C ATOM 114 C GLN A 14 2.245 10.297 -0.531 1.00 0.00 C ATOM 115 O GLN A 14 1.963 9.372 -1.292 1.00 0.00 O ATOM 116 CB GLN A 14 0.146 10.410 0.842 1.00 0.00 C ATOM 117 CG GLN A 14 0.780 9.381 1.761 1.00 0.00 C ATOM 118 CD GLN A 14 1.568 10.005 2.899 1.00 0.00 C ATOM 119 OE1 GLN A 14 2.121 11.097 2.765 1.00 0.00 O ATOM 120 NE2 GLN A 14 1.623 9.310 4.028 1.00 0.00 N ATOM 0 HA GLN A 14 1.631 11.955 0.664 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.451 11.098 1.441 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.538 9.903 0.162 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.000 8.742 2.175 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.441 8.740 1.178 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.150 8.409 4.096 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.138 9.677 4.828 1.00 0.00 H new ATOM 129 N GLN A 15 3.489 10.559 -0.140 1.00 0.00 N ATOM 130 CA GLN A 15 4.620 9.759 -0.596 1.00 0.00 C ATOM 131 C GLN A 15 5.551 9.418 0.564 1.00 0.00 C ATOM 132 O GLN A 15 5.772 10.234 1.459 1.00 0.00 O ATOM 133 CB GLN A 15 5.392 10.506 -1.686 1.00 0.00 C ATOM 134 CG GLN A 15 6.646 9.785 -2.152 1.00 0.00 C ATOM 135 CD GLN A 15 7.358 10.519 -3.271 1.00 0.00 C ATOM 136 OE1 GLN A 15 7.090 10.289 -4.450 1.00 0.00 O ATOM 137 NE2 GLN A 15 8.271 11.412 -2.906 1.00 0.00 N ATOM 0 H GLN A 15 3.739 11.320 0.492 1.00 0.00 H new ATOM 0 HA GLN A 15 4.232 8.828 -1.009 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.735 10.663 -2.541 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.669 11.492 -1.312 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.327 9.666 -1.309 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.380 8.784 -2.491 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.462 11.571 -1.917 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.781 11.939 -3.615 1.00 0.00 H new ATOM 146 N GLY A 16 6.092 8.204 0.538 1.00 0.00 N ATOM 147 CA GLY A 16 6.994 7.766 1.588 1.00 0.00 C ATOM 148 C GLY A 16 7.343 6.295 1.472 1.00 0.00 C ATOM 149 O GLY A 16 7.612 5.798 0.378 1.00 0.00 O ATOM 0 H GLY A 16 5.921 7.514 -0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.908 8.358 1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.535 7.953 2.559 1.00 0.00 H new ATOM 153 N GLU A 17 7.337 5.594 2.603 1.00 0.00 N ATOM 154 CA GLU A 17 7.657 4.170 2.622 1.00 0.00 C ATOM 155 C GLU A 17 6.486 3.355 3.163 1.00 0.00 C ATOM 156 O GLU A 17 5.601 3.889 3.832 1.00 0.00 O ATOM 157 CB GLU A 17 8.904 3.911 3.471 1.00 0.00 C ATOM 158 CG GLU A 17 10.173 4.537 2.910 1.00 0.00 C ATOM 159 CD GLU A 17 10.174 6.051 3.004 1.00 0.00 C ATOM 160 OE1 GLU A 17 10.201 6.575 4.137 1.00 0.00 O ATOM 161 OE2 GLU A 17 10.154 6.711 1.944 1.00 0.00 O ATOM 0 H GLU A 17 7.114 5.989 3.517 1.00 0.00 H new ATOM 0 HA GLU A 17 7.854 3.858 1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.734 4.297 4.476 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.052 2.835 3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.035 4.144 3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.287 4.242 1.867 1.00 0.00 H new ATOM 168 N LEU A 18 6.491 2.058 2.869 1.00 0.00 N ATOM 169 CA LEU A 18 5.434 1.160 3.325 1.00 0.00 C ATOM 170 C LEU A 18 5.881 -0.295 3.223 1.00 0.00 C ATOM 171 O LEU A 18 6.973 -0.583 2.732 1.00 0.00 O ATOM 172 CB LEU A 18 4.159 1.377 2.506 1.00 0.00 C ATOM 173 CG LEU A 18 2.955 1.889 3.300 1.00 0.00 C ATOM 174 CD1 LEU A 18 1.768 2.117 2.376 1.00 0.00 C ATOM 175 CD2 LEU A 18 2.587 0.915 4.408 1.00 0.00 C ATOM 0 H LEU A 18 7.218 1.604 2.315 1.00 0.00 H new ATOM 0 HA LEU A 18 5.223 1.385 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.376 2.086 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.887 0.435 2.031 1.00 0.00 H new ATOM 0 HG LEU A 18 3.226 2.840 3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.920 2.481 2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.033 2.855 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.499 1.179 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.729 1.299 4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.336 -0.053 3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.432 0.800 5.086 1.00 0.00 H new ATOM 187 N TYR A 19 5.034 -1.209 3.687 1.00 0.00 N ATOM 188 CA TYR A 19 5.349 -2.632 3.646 1.00 0.00 C ATOM 189 C TYR A 19 4.222 -3.423 2.993 1.00 0.00 C ATOM 190 O TYR A 19 3.047 -3.087 3.138 1.00 0.00 O ATOM 191 CB TYR A 19 5.601 -3.158 5.059 1.00 0.00 C ATOM 192 CG TYR A 19 6.678 -2.403 5.803 1.00 0.00 C ATOM 193 CD1 TYR A 19 6.378 -1.242 6.504 1.00 0.00 C ATOM 194 CD2 TYR A 19 7.993 -2.850 5.804 1.00 0.00 C ATOM 195 CE1 TYR A 19 7.359 -0.547 7.186 1.00 0.00 C ATOM 196 CE2 TYR A 19 8.980 -2.162 6.484 1.00 0.00 C ATOM 197 CZ TYR A 19 8.657 -1.012 7.173 1.00 0.00 C ATOM 198 OH TYR A 19 9.637 -0.324 7.851 1.00 0.00 O ATOM 0 H TYR A 19 4.125 -0.989 4.095 1.00 0.00 H new ATOM 0 HA TYR A 19 6.251 -2.761 3.048 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.673 -3.105 5.628 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.880 -4.210 5.002 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.362 -0.876 6.516 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.248 -3.750 5.264 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.110 0.355 7.726 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.998 -2.523 6.476 1.00 0.00 H new ATOM 0 HH TYR A 19 10.140 -0.945 8.419 1.00 0.00 H new ATOM 208 N MET A 20 4.593 -4.475 2.274 1.00 0.00 N ATOM 209 CA MET A 20 3.621 -5.326 1.597 1.00 0.00 C ATOM 210 C MET A 20 3.980 -6.796 1.775 1.00 0.00 C ATOM 211 O MET A 20 5.137 -7.185 1.617 1.00 0.00 O ATOM 212 CB MET A 20 3.554 -4.974 0.111 1.00 0.00 C ATOM 213 CG MET A 20 2.829 -3.667 -0.172 1.00 0.00 C ATOM 214 SD MET A 20 2.996 -3.135 -1.887 1.00 0.00 S ATOM 215 CE MET A 20 4.770 -2.916 -2.006 1.00 0.00 C ATOM 0 H MET A 20 5.564 -4.761 2.144 1.00 0.00 H new ATOM 0 HA MET A 20 2.642 -5.154 2.043 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.568 -4.911 -0.285 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.053 -5.781 -0.423 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.772 -3.784 0.066 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.220 -2.890 0.485 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.035 -2.639 -3.026 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.086 -2.128 -1.322 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.270 -3.848 -1.742 1.00 0.00 H new ATOM 225 N TRP A 21 2.983 -7.608 2.108 1.00 0.00 N ATOM 226 CA TRP A 21 3.199 -9.034 2.318 1.00 0.00 C ATOM 227 C TRP A 21 3.743 -9.704 1.061 1.00 0.00 C ATOM 228 O TRP A 21 3.107 -9.682 0.006 1.00 0.00 O ATOM 229 CB TRP A 21 1.898 -9.716 2.749 1.00 0.00 C ATOM 230 CG TRP A 21 2.004 -11.210 2.818 1.00 0.00 C ATOM 231 CD1 TRP A 21 1.240 -12.117 2.142 1.00 0.00 C ATOM 232 CD2 TRP A 21 2.934 -11.970 3.599 1.00 0.00 C ATOM 233 NE1 TRP A 21 1.635 -13.395 2.458 1.00 0.00 N ATOM 234 CE2 TRP A 21 2.673 -13.330 3.351 1.00 0.00 C ATOM 235 CE3 TRP A 21 3.961 -11.633 4.486 1.00 0.00 C ATOM 236 CZ2 TRP A 21 3.401 -14.351 3.956 1.00 0.00 C ATOM 237 CZ3 TRP A 21 4.683 -12.649 5.086 1.00 0.00 C ATOM 238 CH2 TRP A 21 4.399 -13.992 4.818 1.00 0.00 C ATOM 0 H TRP A 21 2.018 -7.303 2.238 1.00 0.00 H new ATOM 0 HA TRP A 21 3.939 -9.142 3.111 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.603 -9.334 3.726 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.106 -9.447 2.050 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.442 -11.867 1.459 1.00 0.00 H new ATOM 0 HE1 TRP A 21 1.223 -14.252 2.088 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.186 -10.598 4.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.185 -15.389 3.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 5.479 -12.401 5.773 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.981 -14.762 5.303 1.00 0.00 H new ATOM 249 N ASP A 22 4.925 -10.297 1.184 1.00 0.00 N ATOM 250 CA ASP A 22 5.559 -10.987 0.068 1.00 0.00 C ATOM 251 C ASP A 22 5.526 -12.494 0.288 1.00 0.00 C ATOM 252 O ASP A 22 6.268 -13.024 1.114 1.00 0.00 O ATOM 253 CB ASP A 22 7.006 -10.516 -0.100 1.00 0.00 C ATOM 254 CG ASP A 22 7.100 -9.048 -0.466 1.00 0.00 C ATOM 255 OD1 ASP A 22 6.961 -8.725 -1.664 1.00 0.00 O ATOM 256 OD2 ASP A 22 7.311 -8.221 0.446 1.00 0.00 O ATOM 0 H ASP A 22 5.465 -10.313 2.049 1.00 0.00 H new ATOM 0 HA ASP A 22 5.005 -10.751 -0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.552 -10.692 0.827 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.491 -11.112 -0.873 1.00 0.00 H new ATOM 261 N SER A 23 4.655 -13.178 -0.450 1.00 0.00 N ATOM 262 CA SER A 23 4.522 -14.626 -0.329 1.00 0.00 C ATOM 263 C SER A 23 5.641 -15.343 -1.076 1.00 0.00 C ATOM 264 O SER A 23 5.706 -16.572 -1.081 1.00 0.00 O ATOM 265 CB SER A 23 3.162 -15.083 -0.858 1.00 0.00 C ATOM 266 OG SER A 23 2.935 -14.602 -2.172 1.00 0.00 O ATOM 0 H SER A 23 4.032 -12.753 -1.137 1.00 0.00 H new ATOM 0 HA SER A 23 4.596 -14.883 0.728 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.114 -16.172 -0.853 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.373 -14.726 -0.196 1.00 0.00 H new ATOM 0 HG SER A 23 2.059 -14.910 -2.486 1.00 0.00 H new ATOM 272 N ILE A 24 6.519 -14.570 -1.707 1.00 0.00 N ATOM 273 CA ILE A 24 7.638 -15.139 -2.449 1.00 0.00 C ATOM 274 C ILE A 24 8.728 -15.591 -1.488 1.00 0.00 C ATOM 275 O ILE A 24 9.410 -16.589 -1.721 1.00 0.00 O ATOM 276 CB ILE A 24 8.227 -14.126 -3.451 1.00 0.00 C ATOM 277 CG1 ILE A 24 7.132 -13.603 -4.383 1.00 0.00 C ATOM 278 CG2 ILE A 24 9.353 -14.767 -4.250 1.00 0.00 C ATOM 279 CD1 ILE A 24 7.595 -12.498 -5.308 1.00 0.00 C ATOM 0 H ILE A 24 6.478 -13.551 -1.719 1.00 0.00 H new ATOM 0 HA ILE A 24 7.260 -15.995 -3.008 1.00 0.00 H new ATOM 0 HB ILE A 24 8.637 -13.282 -2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.752 -14.430 -4.982 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.300 -13.236 -3.782 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.759 -14.040 -4.953 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.140 -15.094 -3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.967 -15.626 -4.799 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.765 -12.179 -5.938 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.948 -11.653 -4.717 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.406 -12.865 -5.936 1.00 0.00 H new ATOM 291 N ASP A 25 8.880 -14.840 -0.404 1.00 0.00 N ATOM 292 CA ASP A 25 9.869 -15.147 0.619 1.00 0.00 C ATOM 293 C ASP A 25 9.204 -15.185 1.988 1.00 0.00 C ATOM 294 O ASP A 25 9.857 -15.432 3.001 1.00 0.00 O ATOM 295 CB ASP A 25 10.986 -14.101 0.615 1.00 0.00 C ATOM 296 CG ASP A 25 11.788 -14.114 -0.671 1.00 0.00 C ATOM 297 OD1 ASP A 25 11.404 -13.393 -1.617 1.00 0.00 O ATOM 298 OD2 ASP A 25 12.798 -14.845 -0.733 1.00 0.00 O ATOM 0 H ASP A 25 8.325 -14.007 -0.211 1.00 0.00 H new ATOM 0 HA ASP A 25 10.303 -16.123 0.401 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.553 -13.111 0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.653 -14.283 1.457 1.00 0.00 H new ATOM 303 N GLN A 26 7.895 -14.943 2.000 1.00 0.00 N ATOM 304 CA GLN A 26 7.128 -14.929 3.236 1.00 0.00 C ATOM 305 C GLN A 26 7.797 -14.024 4.258 1.00 0.00 C ATOM 306 O GLN A 26 8.350 -14.488 5.256 1.00 0.00 O ATOM 307 CB GLN A 26 6.962 -16.345 3.785 1.00 0.00 C ATOM 308 CG GLN A 26 5.995 -17.182 2.966 1.00 0.00 C ATOM 309 CD GLN A 26 4.776 -17.613 3.757 1.00 0.00 C ATOM 310 OE1 GLN A 26 4.846 -17.815 4.969 1.00 0.00 O ATOM 311 NE2 GLN A 26 3.647 -17.752 3.070 1.00 0.00 N ATOM 0 H GLN A 26 7.345 -14.754 1.162 1.00 0.00 H new ATOM 0 HA GLN A 26 6.134 -14.534 3.025 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.934 -16.838 3.807 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.608 -16.292 4.815 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.674 -16.610 2.095 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.512 -18.066 2.594 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.636 -17.574 2.066 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.792 -18.037 3.547 1.00 0.00 H new ATOM 320 N LYS A 27 7.745 -12.724 3.989 1.00 0.00 N ATOM 321 CA LYS A 27 8.361 -11.736 4.866 1.00 0.00 C ATOM 322 C LYS A 27 7.847 -10.331 4.564 1.00 0.00 C ATOM 323 O LYS A 27 7.067 -10.129 3.633 1.00 0.00 O ATOM 324 CB LYS A 27 9.881 -11.775 4.700 1.00 0.00 C ATOM 325 CG LYS A 27 10.331 -11.732 3.247 1.00 0.00 C ATOM 326 CD LYS A 27 11.824 -11.461 3.120 1.00 0.00 C ATOM 327 CE LYS A 27 12.653 -12.456 3.916 1.00 0.00 C ATOM 328 NZ LYS A 27 12.395 -13.861 3.500 1.00 0.00 N ATOM 0 H LYS A 27 7.282 -12.330 3.170 1.00 0.00 H new ATOM 0 HA LYS A 27 8.096 -11.982 5.894 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.319 -10.932 5.234 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.267 -12.682 5.166 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.092 -12.680 2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.776 -10.957 2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.113 -11.507 2.070 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.040 -10.450 3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.711 -12.229 3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.430 -12.346 4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.832 -14.511 4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.369 -14.031 3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.803 -14.024 2.557 1.00 0.00 H new ATOM 342 N TRP A 28 8.293 -9.363 5.361 1.00 0.00 N ATOM 343 CA TRP A 28 7.891 -7.972 5.181 1.00 0.00 C ATOM 344 C TRP A 28 9.078 -7.121 4.743 1.00 0.00 C ATOM 345 O TRP A 28 10.009 -6.890 5.515 1.00 0.00 O ATOM 346 CB TRP A 28 7.302 -7.408 6.476 1.00 0.00 C ATOM 347 CG TRP A 28 5.941 -7.943 6.792 1.00 0.00 C ATOM 348 CD1 TRP A 28 5.637 -8.954 7.656 1.00 0.00 C ATOM 349 CD2 TRP A 28 4.695 -7.494 6.243 1.00 0.00 C ATOM 350 NE1 TRP A 28 4.279 -9.161 7.682 1.00 0.00 N ATOM 351 CE2 TRP A 28 3.679 -8.279 6.821 1.00 0.00 C ATOM 352 CE3 TRP A 28 4.339 -6.504 5.320 1.00 0.00 C ATOM 353 CZ2 TRP A 28 2.335 -8.106 6.508 1.00 0.00 C ATOM 354 CZ3 TRP A 28 3.003 -6.335 5.010 1.00 0.00 C ATOM 355 CH2 TRP A 28 2.015 -7.132 5.602 1.00 0.00 C ATOM 0 H TRP A 28 8.934 -9.518 6.139 1.00 0.00 H new ATOM 0 HA TRP A 28 7.128 -7.942 4.403 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.975 -7.637 7.302 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.249 -6.322 6.399 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.359 -9.511 8.235 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.796 -9.857 8.249 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.094 -5.884 4.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.571 -8.719 6.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.716 -5.575 4.299 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.980 -6.975 5.338 1.00 0.00 H new ATOM 366 N THR A 29 9.037 -6.657 3.499 1.00 0.00 N ATOM 367 CA THR A 29 10.106 -5.831 2.956 1.00 0.00 C ATOM 368 C THR A 29 9.710 -4.358 2.939 1.00 0.00 C ATOM 369 O THR A 29 8.525 -4.025 2.969 1.00 0.00 O ATOM 370 CB THR A 29 10.479 -6.265 1.528 1.00 0.00 C ATOM 371 OG1 THR A 29 9.299 -6.375 0.726 1.00 0.00 O ATOM 372 CG2 THR A 29 11.213 -7.596 1.541 1.00 0.00 C ATOM 0 H THR A 29 8.273 -6.840 2.848 1.00 0.00 H new ATOM 0 HA THR A 29 10.970 -5.965 3.607 1.00 0.00 H new ATOM 0 HB THR A 29 11.138 -5.508 1.103 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.757 -5.565 0.829 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.466 -7.882 0.520 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.126 -7.502 2.129 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.574 -8.360 1.984 1.00 0.00 H new ATOM 380 N ARG A 30 10.708 -3.483 2.891 1.00 0.00 N ATOM 381 CA ARG A 30 10.466 -2.046 2.869 1.00 0.00 C ATOM 382 C ARG A 30 10.524 -1.508 1.442 1.00 0.00 C ATOM 383 O ARG A 30 11.536 -1.651 0.756 1.00 0.00 O ATOM 384 CB ARG A 30 11.491 -1.323 3.744 1.00 0.00 C ATOM 385 CG ARG A 30 11.285 0.182 3.812 1.00 0.00 C ATOM 386 CD ARG A 30 12.298 0.841 4.734 1.00 0.00 C ATOM 387 NE ARG A 30 12.202 0.340 6.102 1.00 0.00 N ATOM 388 CZ ARG A 30 12.910 0.826 7.118 1.00 0.00 C ATOM 389 NH1 ARG A 30 13.762 1.821 6.920 1.00 0.00 N ATOM 390 NH2 ARG A 30 12.764 0.314 8.333 1.00 0.00 N ATOM 0 H ARG A 30 11.694 -3.745 2.867 1.00 0.00 H new ATOM 0 HA ARG A 30 9.468 -1.862 3.266 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.447 -1.733 4.753 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.491 -1.527 3.361 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.370 0.608 2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.276 0.397 4.165 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.304 0.664 4.353 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.142 1.920 4.732 1.00 0.00 H new ATOM 0 HE ARG A 30 11.555 -0.426 6.289 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.876 2.216 5.987 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.304 2.192 7.701 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.109 -0.452 8.488 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.307 0.687 9.112 1.00 0.00 H new ATOM 404 N HIS A 31 9.432 -0.889 1.002 1.00 0.00 N ATOM 405 CA HIS A 31 9.359 -0.332 -0.346 1.00 0.00 C ATOM 406 C HIS A 31 9.124 1.173 -0.302 1.00 0.00 C ATOM 407 O HIS A 31 8.669 1.712 0.708 1.00 0.00 O ATOM 408 CB HIS A 31 8.226 -0.990 -1.138 1.00 0.00 C ATOM 409 CG HIS A 31 8.089 -2.462 -0.911 1.00 0.00 C ATOM 410 ND1 HIS A 31 8.473 -3.407 -1.840 1.00 0.00 N ATOM 411 CD2 HIS A 31 7.587 -3.153 0.140 1.00 0.00 C ATOM 412 CE1 HIS A 31 8.209 -4.613 -1.370 1.00 0.00 C ATOM 413 NE2 HIS A 31 7.672 -4.486 -0.172 1.00 0.00 N ATOM 0 H HIS A 31 8.587 -0.760 1.558 1.00 0.00 H new ATOM 0 HA HIS A 31 10.312 -0.531 -0.836 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.286 -0.505 -0.875 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.391 -0.812 -2.201 1.00 0.00 H new ATOM 0 HD1 HIS A 31 8.894 -3.206 -2.747 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.193 -2.733 1.054 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.400 -5.545 -1.880 1.00 0.00 H new ATOM 422 N TYR A 32 9.440 1.846 -1.402 1.00 0.00 N ATOM 423 CA TYR A 32 9.240 3.286 -1.501 1.00 0.00 C ATOM 424 C TYR A 32 7.937 3.571 -2.239 1.00 0.00 C ATOM 425 O TYR A 32 7.900 3.595 -3.470 1.00 0.00 O ATOM 426 CB TYR A 32 10.417 3.945 -2.224 1.00 0.00 C ATOM 427 CG TYR A 32 10.371 5.456 -2.211 1.00 0.00 C ATOM 428 CD1 TYR A 32 10.896 6.176 -1.144 1.00 0.00 C ATOM 429 CD2 TYR A 32 9.808 6.164 -3.265 1.00 0.00 C ATOM 430 CE1 TYR A 32 10.858 7.557 -1.127 1.00 0.00 C ATOM 431 CE2 TYR A 32 9.766 7.545 -3.256 1.00 0.00 C ATOM 432 CZ TYR A 32 10.292 8.237 -2.185 1.00 0.00 C ATOM 433 OH TYR A 32 10.255 9.612 -2.173 1.00 0.00 O ATOM 0 H TYR A 32 9.836 1.417 -2.238 1.00 0.00 H new ATOM 0 HA TYR A 32 9.182 3.705 -0.496 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.347 3.615 -1.761 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.436 3.600 -3.258 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.341 5.647 -0.314 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.396 5.626 -4.106 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.269 8.101 -0.290 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.324 8.080 -4.083 1.00 0.00 H new ATOM 0 HH TYR A 32 10.604 9.956 -3.022 1.00 0.00 H new ATOM 443 N CYS A 33 6.869 3.781 -1.478 1.00 0.00 N ATOM 444 CA CYS A 33 5.554 4.039 -2.054 1.00 0.00 C ATOM 445 C CYS A 33 5.363 5.512 -2.397 1.00 0.00 C ATOM 446 O CYS A 33 6.048 6.385 -1.864 1.00 0.00 O ATOM 447 CB CYS A 33 4.461 3.583 -1.087 1.00 0.00 C ATOM 448 SG CYS A 33 4.363 1.789 -0.880 1.00 0.00 S ATOM 0 H CYS A 33 6.888 3.778 -0.458 1.00 0.00 H new ATOM 0 HA CYS A 33 5.483 3.471 -2.982 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.637 4.042 -0.114 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.499 3.950 -1.443 1.00 0.00 H new ATOM 0 HG CYS A 33 3.287 1.487 -0.216 1.00 0.00 H new ATOM 454 N ALA A 34 4.419 5.769 -3.296 1.00 0.00 N ATOM 455 CA ALA A 34 4.105 7.123 -3.732 1.00 0.00 C ATOM 456 C ALA A 34 2.800 7.136 -4.520 1.00 0.00 C ATOM 457 O ALA A 34 2.673 6.453 -5.536 1.00 0.00 O ATOM 458 CB ALA A 34 5.240 7.690 -4.572 1.00 0.00 C ATOM 0 H ALA A 34 3.852 5.047 -3.741 1.00 0.00 H new ATOM 0 HA ALA A 34 3.984 7.752 -2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.988 8.702 -4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.155 7.713 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.392 7.062 -5.450 1.00 0.00 H new ATOM 464 N ILE A 35 1.834 7.916 -4.050 1.00 0.00 N ATOM 465 CA ILE A 35 0.536 8.001 -4.711 1.00 0.00 C ATOM 466 C ILE A 35 0.534 9.078 -5.790 1.00 0.00 C ATOM 467 O ILE A 35 0.712 10.261 -5.503 1.00 0.00 O ATOM 468 CB ILE A 35 -0.588 8.294 -3.697 1.00 0.00 C ATOM 469 CG1 ILE A 35 -0.653 7.181 -2.648 1.00 0.00 C ATOM 470 CG2 ILE A 35 -1.926 8.438 -4.410 1.00 0.00 C ATOM 471 CD1 ILE A 35 -1.610 7.470 -1.512 1.00 0.00 C ATOM 0 H ILE A 35 1.924 8.497 -3.217 1.00 0.00 H new ATOM 0 HA ILE A 35 0.352 7.033 -5.176 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.368 9.235 -3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.951 6.252 -3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.345 7.021 -2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.708 8.644 -3.679 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.871 9.260 -5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.158 7.513 -4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.602 6.637 -0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.301 8.381 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.617 7.600 -1.909 1.00 0.00 H new ATOM 483 N ALA A 36 0.330 8.654 -7.033 1.00 0.00 N ATOM 484 CA ALA A 36 0.299 9.576 -8.162 1.00 0.00 C ATOM 485 C ALA A 36 -1.117 9.723 -8.702 1.00 0.00 C ATOM 486 O ALA A 36 -1.727 8.746 -9.139 1.00 0.00 O ATOM 487 CB ALA A 36 1.240 9.100 -9.258 1.00 0.00 C ATOM 0 H ALA A 36 0.184 7.676 -7.284 1.00 0.00 H new ATOM 0 HA ALA A 36 0.633 10.554 -7.815 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.207 9.798 -10.095 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.257 9.049 -8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.932 8.111 -9.598 1.00 0.00 H new ATOM 493 N ASP A 37 -1.632 10.950 -8.668 1.00 0.00 N ATOM 494 CA ASP A 37 -2.981 11.237 -9.149 1.00 0.00 C ATOM 495 C ASP A 37 -4.029 10.512 -8.309 1.00 0.00 C ATOM 496 O ASP A 37 -4.628 11.099 -7.407 1.00 0.00 O ATOM 497 CB ASP A 37 -3.123 10.846 -10.622 1.00 0.00 C ATOM 498 CG ASP A 37 -4.509 11.135 -11.166 1.00 0.00 C ATOM 499 OD1 ASP A 37 -4.731 12.260 -11.661 1.00 0.00 O ATOM 500 OD2 ASP A 37 -5.372 10.234 -11.098 1.00 0.00 O ATOM 0 H ASP A 37 -1.133 11.765 -8.311 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.148 12.310 -9.053 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.384 11.388 -11.212 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.905 9.784 -10.736 1.00 0.00 H new ATOM 505 N ALA A 38 -4.246 9.234 -8.607 1.00 0.00 N ATOM 506 CA ALA A 38 -5.222 8.436 -7.874 1.00 0.00 C ATOM 507 C ALA A 38 -4.691 7.037 -7.564 1.00 0.00 C ATOM 508 O ALA A 38 -5.212 6.350 -6.686 1.00 0.00 O ATOM 509 CB ALA A 38 -6.520 8.343 -8.662 1.00 0.00 C ATOM 0 H ALA A 38 -3.760 8.731 -9.349 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.412 8.935 -6.924 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.242 7.745 -8.105 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.923 9.344 -8.819 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.327 7.874 -9.627 1.00 0.00 H new ATOM 515 N LYS A 39 -3.658 6.617 -8.288 1.00 0.00 N ATOM 516 CA LYS A 39 -3.074 5.296 -8.083 1.00 0.00 C ATOM 517 C LYS A 39 -1.874 5.356 -7.143 1.00 0.00 C ATOM 518 O LYS A 39 -1.432 6.435 -6.749 1.00 0.00 O ATOM 519 CB LYS A 39 -2.661 4.691 -9.421 1.00 0.00 C ATOM 520 CG LYS A 39 -3.827 4.490 -10.367 1.00 0.00 C ATOM 521 CD LYS A 39 -3.378 3.887 -11.685 1.00 0.00 C ATOM 522 CE LYS A 39 -4.478 3.961 -12.728 1.00 0.00 C ATOM 523 NZ LYS A 39 -4.820 5.368 -13.076 1.00 0.00 N ATOM 0 H LYS A 39 -3.210 7.170 -9.019 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.832 4.664 -7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.924 5.340 -9.895 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.174 3.732 -9.245 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.566 3.839 -9.901 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.316 5.447 -10.551 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.495 4.414 -12.046 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.088 2.847 -11.532 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.162 3.431 -13.627 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.367 3.453 -12.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.289 5.392 -14.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.460 5.758 -12.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.951 5.938 -13.112 1.00 0.00 H new ATOM 537 N LEU A 40 -1.351 4.184 -6.794 1.00 0.00 N ATOM 538 CA LEU A 40 -0.204 4.089 -5.896 1.00 0.00 C ATOM 539 C LEU A 40 0.912 3.251 -6.516 1.00 0.00 C ATOM 540 O LEU A 40 0.737 2.062 -6.770 1.00 0.00 O ATOM 541 CB LEU A 40 -0.638 3.473 -4.564 1.00 0.00 C ATOM 542 CG LEU A 40 0.506 3.004 -3.663 1.00 0.00 C ATOM 543 CD1 LEU A 40 1.389 4.176 -3.266 1.00 0.00 C ATOM 544 CD2 LEU A 40 -0.040 2.302 -2.429 1.00 0.00 C ATOM 0 H LEU A 40 -1.704 3.285 -7.120 1.00 0.00 H new ATOM 0 HA LEU A 40 0.180 5.095 -5.725 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.232 4.206 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.290 2.624 -4.769 1.00 0.00 H new ATOM 0 HG LEU A 40 1.114 2.292 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.197 3.822 -2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.810 4.634 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.794 4.913 -2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.788 1.975 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.672 2.991 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.628 1.436 -2.733 1.00 0.00 H new ATOM 556 N SER A 41 2.066 3.871 -6.740 1.00 0.00 N ATOM 557 CA SER A 41 3.203 3.174 -7.332 1.00 0.00 C ATOM 558 C SER A 41 4.211 2.762 -6.265 1.00 0.00 C ATOM 559 O SER A 41 4.748 3.606 -5.547 1.00 0.00 O ATOM 560 CB SER A 41 3.887 4.058 -8.377 1.00 0.00 C ATOM 561 OG SER A 41 5.053 3.436 -8.888 1.00 0.00 O ATOM 0 H SER A 41 2.239 4.852 -6.521 1.00 0.00 H new ATOM 0 HA SER A 41 2.826 2.274 -7.817 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.194 4.264 -9.193 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.149 5.017 -7.931 1.00 0.00 H new ATOM 0 HG SER A 41 5.470 4.021 -9.555 1.00 0.00 H new ATOM 567 N PHE A 42 4.465 1.460 -6.167 1.00 0.00 N ATOM 568 CA PHE A 42 5.417 0.941 -5.192 1.00 0.00 C ATOM 569 C PHE A 42 6.762 0.653 -5.854 1.00 0.00 C ATOM 570 O PHE A 42 6.819 0.073 -6.938 1.00 0.00 O ATOM 571 CB PHE A 42 4.869 -0.322 -4.519 1.00 0.00 C ATOM 572 CG PHE A 42 4.281 -1.322 -5.476 1.00 0.00 C ATOM 573 CD1 PHE A 42 5.091 -2.243 -6.121 1.00 0.00 C ATOM 574 CD2 PHE A 42 2.917 -1.342 -5.726 1.00 0.00 C ATOM 575 CE1 PHE A 42 4.551 -3.165 -6.998 1.00 0.00 C ATOM 576 CE2 PHE A 42 2.373 -2.260 -6.601 1.00 0.00 C ATOM 577 CZ PHE A 42 3.190 -3.174 -7.239 1.00 0.00 C ATOM 0 H PHE A 42 4.026 0.747 -6.750 1.00 0.00 H new ATOM 0 HA PHE A 42 5.567 1.701 -4.425 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.673 -0.800 -3.959 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.105 -0.034 -3.797 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.155 -2.240 -5.937 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.273 -0.631 -5.230 1.00 0.00 H new ATOM 0 HE1 PHE A 42 5.192 -3.878 -7.495 1.00 0.00 H new ATOM 0 HE2 PHE A 42 1.309 -2.264 -6.787 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.766 -3.893 -7.924 1.00 0.00 H new ATOM 587 N SER A 43 7.841 1.067 -5.197 1.00 0.00 N ATOM 588 CA SER A 43 9.186 0.866 -5.728 1.00 0.00 C ATOM 589 C SER A 43 9.837 -0.382 -5.137 1.00 0.00 C ATOM 590 O SER A 43 9.265 -1.047 -4.274 1.00 0.00 O ATOM 591 CB SER A 43 10.054 2.092 -5.443 1.00 0.00 C ATOM 592 OG SER A 43 11.360 1.931 -5.971 1.00 0.00 O ATOM 0 H SER A 43 7.811 1.544 -4.296 1.00 0.00 H new ATOM 0 HA SER A 43 9.102 0.726 -6.806 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.590 2.978 -5.877 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.112 2.257 -4.367 1.00 0.00 H new ATOM 0 HG SER A 43 11.893 2.730 -5.776 1.00 0.00 H new ATOM 598 N ASP A 44 11.042 -0.689 -5.611 1.00 0.00 N ATOM 599 CA ASP A 44 11.784 -1.852 -5.138 1.00 0.00 C ATOM 600 C ASP A 44 12.406 -1.582 -3.772 1.00 0.00 C ATOM 601 O ASP A 44 12.471 -0.434 -3.328 1.00 0.00 O ATOM 602 CB ASP A 44 12.879 -2.227 -6.139 1.00 0.00 C ATOM 603 CG ASP A 44 13.888 -1.113 -6.335 1.00 0.00 C ATOM 604 OD1 ASP A 44 13.660 -0.254 -7.213 1.00 0.00 O ATOM 605 OD2 ASP A 44 14.907 -1.100 -5.613 1.00 0.00 O ATOM 0 H ASP A 44 11.526 -0.145 -6.325 1.00 0.00 H new ATOM 0 HA ASP A 44 11.084 -2.682 -5.044 1.00 0.00 H new ATOM 0 HB2 ASP A 44 13.394 -3.123 -5.792 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.422 -2.473 -7.098 1.00 0.00 H new ATOM 610 N ASP A 45 12.855 -2.644 -3.107 1.00 0.00 N ATOM 611 CA ASP A 45 13.479 -2.521 -1.793 1.00 0.00 C ATOM 612 C ASP A 45 14.528 -1.414 -1.792 1.00 0.00 C ATOM 613 O ASP A 45 15.208 -1.189 -2.793 1.00 0.00 O ATOM 614 CB ASP A 45 14.126 -3.847 -1.388 1.00 0.00 C ATOM 615 CG ASP A 45 13.170 -5.017 -1.502 1.00 0.00 C ATOM 616 OD1 ASP A 45 12.927 -5.477 -2.637 1.00 0.00 O ATOM 617 OD2 ASP A 45 12.665 -5.475 -0.456 1.00 0.00 O ATOM 0 H ASP A 45 12.798 -3.600 -3.458 1.00 0.00 H new ATOM 0 HA ASP A 45 12.703 -2.265 -1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.996 -4.030 -2.018 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.485 -3.774 -0.361 1.00 0.00 H new ATOM 622 N ILE A 46 14.656 -0.723 -0.662 1.00 0.00 N ATOM 623 CA ILE A 46 15.623 0.361 -0.537 1.00 0.00 C ATOM 624 C ILE A 46 16.740 -0.003 0.434 1.00 0.00 C ATOM 625 O ILE A 46 17.562 0.841 0.793 1.00 0.00 O ATOM 626 CB ILE A 46 14.947 1.663 -0.062 1.00 0.00 C ATOM 627 CG1 ILE A 46 14.254 1.445 1.284 1.00 0.00 C ATOM 628 CG2 ILE A 46 13.955 2.152 -1.107 1.00 0.00 C ATOM 629 CD1 ILE A 46 13.677 2.710 1.884 1.00 0.00 C ATOM 0 H ILE A 46 14.103 -0.895 0.178 1.00 0.00 H new ATOM 0 HA ILE A 46 16.048 0.520 -1.528 1.00 0.00 H new ATOM 0 HB ILE A 46 15.713 2.427 0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.454 0.716 1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 46 14.969 1.014 1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.484 3.072 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 46 14.478 2.343 -2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.191 1.392 -1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.202 2.477 2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 46 14.476 3.434 2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.937 3.131 1.203 1.00 0.00 H new ATOM 641 N GLU A 47 16.768 -1.264 0.852 1.00 0.00 N ATOM 642 CA GLU A 47 17.788 -1.739 1.782 1.00 0.00 C ATOM 643 C GLU A 47 17.807 -3.263 1.846 1.00 0.00 C ATOM 644 O GLU A 47 18.861 -3.873 2.030 1.00 0.00 O ATOM 645 CB GLU A 47 17.543 -1.161 3.178 1.00 0.00 C ATOM 646 CG GLU A 47 16.164 -1.474 3.735 1.00 0.00 C ATOM 647 CD GLU A 47 15.951 -0.897 5.121 1.00 0.00 C ATOM 648 OE1 GLU A 47 15.480 0.255 5.218 1.00 0.00 O ATOM 649 OE2 GLU A 47 16.254 -1.598 6.109 1.00 0.00 O ATOM 0 H GLU A 47 16.097 -1.976 0.562 1.00 0.00 H new ATOM 0 HA GLU A 47 18.758 -1.400 1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.298 -1.551 3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.674 -0.079 3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.405 -1.078 3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.027 -2.555 3.770 1.00 0.00 H new ATOM 841 N ARG A 61 8.044 -0.336 -9.538 1.00 0.00 N ATOM 842 CA ARG A 61 7.980 -1.791 -9.629 1.00 0.00 C ATOM 843 C ARG A 61 6.552 -2.251 -9.901 1.00 0.00 C ATOM 844 O ARG A 61 6.289 -3.444 -10.050 1.00 0.00 O ATOM 845 CB ARG A 61 8.496 -2.432 -8.338 1.00 0.00 C ATOM 846 CG ARG A 61 9.972 -2.181 -8.078 1.00 0.00 C ATOM 847 CD ARG A 61 10.849 -2.854 -9.120 1.00 0.00 C ATOM 848 NE ARG A 61 10.641 -4.299 -9.160 1.00 0.00 N ATOM 849 CZ ARG A 61 11.367 -5.128 -9.905 1.00 0.00 C ATOM 850 NH1 ARG A 61 12.345 -4.657 -10.667 1.00 0.00 N ATOM 851 NH2 ARG A 61 11.115 -6.431 -9.887 1.00 0.00 N ATOM 0 HA ARG A 61 8.613 -2.106 -10.458 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.918 -2.049 -7.497 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.322 -3.507 -8.382 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.164 -1.108 -8.079 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.235 -2.551 -7.087 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.636 -2.430 -10.101 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.896 -2.644 -8.902 1.00 0.00 H new ATOM 0 HE ARG A 61 9.898 -4.695 -8.585 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.542 -3.656 -10.683 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.900 -5.295 -11.237 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.364 -6.797 -9.302 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.672 -7.066 -10.459 1.00 0.00 H new ATOM 865 N GLY A 62 5.635 -1.292 -9.965 1.00 0.00 N ATOM 866 CA GLY A 62 4.242 -1.608 -10.218 1.00 0.00 C ATOM 867 C GLY A 62 3.308 -0.511 -9.748 1.00 0.00 C ATOM 868 O GLY A 62 3.716 0.386 -9.010 1.00 0.00 O ATOM 0 H GLY A 62 5.833 -0.298 -9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.097 -1.772 -11.286 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.986 -2.540 -9.714 1.00 0.00 H new ATOM 872 N ILE A 63 2.052 -0.584 -10.175 1.00 0.00 N ATOM 873 CA ILE A 63 1.057 0.411 -9.795 1.00 0.00 C ATOM 874 C ILE A 63 -0.225 -0.252 -9.306 1.00 0.00 C ATOM 875 O ILE A 63 -0.696 -1.227 -9.892 1.00 0.00 O ATOM 876 CB ILE A 63 0.722 1.351 -10.972 1.00 0.00 C ATOM 877 CG1 ILE A 63 1.986 2.061 -11.461 1.00 0.00 C ATOM 878 CG2 ILE A 63 -0.337 2.362 -10.556 1.00 0.00 C ATOM 879 CD1 ILE A 63 1.753 2.965 -12.654 1.00 0.00 C ATOM 0 H ILE A 63 1.699 -1.322 -10.784 1.00 0.00 H new ATOM 0 HA ILE A 63 1.490 0.997 -8.985 1.00 0.00 H new ATOM 0 HB ILE A 63 0.324 0.756 -11.794 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.400 2.652 -10.644 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.734 1.313 -11.724 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.563 3.018 -11.396 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.242 1.836 -10.252 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.035 2.956 -9.721 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.693 3.434 -12.944 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.369 2.376 -13.487 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.029 3.736 -12.390 1.00 0.00 H new ATOM 891 N LEU A 64 -0.785 0.286 -8.228 1.00 0.00 N ATOM 892 CA LEU A 64 -2.014 -0.243 -7.655 1.00 0.00 C ATOM 893 C LEU A 64 -3.188 0.674 -7.980 1.00 0.00 C ATOM 894 O LEU A 64 -3.366 1.714 -7.347 1.00 0.00 O ATOM 895 CB LEU A 64 -1.868 -0.389 -6.137 1.00 0.00 C ATOM 896 CG LEU A 64 -2.928 -1.254 -5.454 1.00 0.00 C ATOM 897 CD1 LEU A 64 -2.937 -2.657 -6.042 1.00 0.00 C ATOM 898 CD2 LEU A 64 -2.676 -1.306 -3.956 1.00 0.00 C ATOM 0 H LEU A 64 -0.404 1.092 -7.733 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.206 -1.225 -8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.886 -0.811 -5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.892 0.605 -5.690 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.906 -0.806 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.698 -3.256 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.159 -2.603 -7.108 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.960 -3.118 -5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.437 -1.925 -3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.691 -1.733 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.719 -0.298 -3.545 1.00 0.00 H new ATOM 910 N ASP A 65 -3.977 0.289 -8.980 1.00 0.00 N ATOM 911 CA ASP A 65 -5.134 1.076 -9.390 1.00 0.00 C ATOM 912 C ASP A 65 -6.177 1.120 -8.277 1.00 0.00 C ATOM 913 O ASP A 65 -7.156 0.378 -8.304 1.00 0.00 O ATOM 914 CB ASP A 65 -5.756 0.484 -10.657 1.00 0.00 C ATOM 915 CG ASP A 65 -4.738 0.275 -11.762 1.00 0.00 C ATOM 916 OD1 ASP A 65 -3.870 -0.610 -11.609 1.00 0.00 O ATOM 917 OD2 ASP A 65 -4.812 0.993 -12.781 1.00 0.00 O ATOM 0 H ASP A 65 -3.835 -0.564 -9.521 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.798 2.092 -9.597 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.226 -0.469 -10.416 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.544 1.147 -11.014 1.00 0.00 H new ATOM 922 N LEU A 66 -5.962 1.998 -7.301 1.00 0.00 N ATOM 923 CA LEU A 66 -6.874 2.135 -6.168 1.00 0.00 C ATOM 924 C LEU A 66 -8.322 2.291 -6.629 1.00 0.00 C ATOM 925 O LEU A 66 -9.255 2.043 -5.867 1.00 0.00 O ATOM 926 CB LEU A 66 -6.467 3.332 -5.307 1.00 0.00 C ATOM 927 CG LEU A 66 -5.024 3.302 -4.794 1.00 0.00 C ATOM 928 CD1 LEU A 66 -4.740 4.528 -3.940 1.00 0.00 C ATOM 929 CD2 LEU A 66 -4.762 2.027 -4.004 1.00 0.00 C ATOM 0 H LEU A 66 -5.160 2.628 -7.272 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.808 1.223 -5.575 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.611 4.243 -5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.139 3.390 -4.451 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.352 3.315 -5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.711 4.492 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.886 5.429 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.419 4.543 -3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.732 2.025 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.440 1.981 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.926 1.161 -4.646 1.00 0.00 H new ATOM 941 N ASN A 67 -8.501 2.702 -7.881 1.00 0.00 N ATOM 942 CA ASN A 67 -9.834 2.889 -8.443 1.00 0.00 C ATOM 943 C ASN A 67 -10.572 1.557 -8.565 1.00 0.00 C ATOM 944 O ASN A 67 -11.774 1.478 -8.313 1.00 0.00 O ATOM 945 CB ASN A 67 -9.740 3.559 -9.816 1.00 0.00 C ATOM 946 CG ASN A 67 -9.054 4.909 -9.756 1.00 0.00 C ATOM 947 OD1 ASN A 67 -9.126 5.611 -8.747 1.00 0.00 O ATOM 948 ND2 ASN A 67 -8.382 5.280 -10.840 1.00 0.00 N ATOM 0 H ASN A 67 -7.739 2.912 -8.526 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.397 3.532 -7.766 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.194 2.907 -10.498 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.742 3.682 -10.226 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.899 6.178 -10.858 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.349 4.667 -11.654 1.00 0.00 H new ATOM 955 N THR A 68 -9.842 0.512 -8.952 1.00 0.00 N ATOM 956 CA THR A 68 -10.427 -0.814 -9.107 1.00 0.00 C ATOM 957 C THR A 68 -10.024 -1.734 -7.961 1.00 0.00 C ATOM 958 O THR A 68 -9.675 -2.896 -8.175 1.00 0.00 O ATOM 959 CB THR A 68 -10.012 -1.462 -10.441 1.00 0.00 C ATOM 960 OG1 THR A 68 -8.633 -1.186 -10.715 1.00 0.00 O ATOM 961 CG2 THR A 68 -10.878 -0.951 -11.583 1.00 0.00 C ATOM 0 H THR A 68 -8.845 0.560 -9.163 1.00 0.00 H new ATOM 0 HA THR A 68 -11.509 -0.681 -9.098 1.00 0.00 H new ATOM 0 HB THR A 68 -10.153 -2.539 -10.355 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.378 -1.604 -11.564 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.566 -1.423 -12.515 1.00 0.00 H new ATOM 0 HG22 THR A 68 -11.922 -1.194 -11.385 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.767 0.130 -11.668 1.00 0.00 H new ATOM 969 N TYR A 69 -10.073 -1.206 -6.744 1.00 0.00 N ATOM 970 CA TYR A 69 -9.726 -1.979 -5.560 1.00 0.00 C ATOM 971 C TYR A 69 -10.580 -1.548 -4.369 1.00 0.00 C ATOM 972 O TYR A 69 -11.260 -0.524 -4.420 1.00 0.00 O ATOM 973 CB TYR A 69 -8.241 -1.811 -5.219 1.00 0.00 C ATOM 974 CG TYR A 69 -7.326 -2.774 -5.945 1.00 0.00 C ATOM 975 CD1 TYR A 69 -7.072 -4.040 -5.432 1.00 0.00 C ATOM 976 CD2 TYR A 69 -6.708 -2.416 -7.136 1.00 0.00 C ATOM 977 CE1 TYR A 69 -6.230 -4.919 -6.084 1.00 0.00 C ATOM 978 CE2 TYR A 69 -5.867 -3.291 -7.796 1.00 0.00 C ATOM 979 CZ TYR A 69 -5.630 -4.541 -7.266 1.00 0.00 C ATOM 980 OH TYR A 69 -4.791 -5.414 -7.920 1.00 0.00 O ATOM 0 H TYR A 69 -10.350 -0.243 -6.552 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.921 -3.030 -5.775 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.938 -0.791 -5.456 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.109 -1.941 -4.145 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.541 -4.342 -4.507 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.888 -1.436 -7.554 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.042 -5.899 -5.670 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.397 -2.997 -8.723 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.453 -4.992 -8.737 1.00 0.00 H new ATOM 990 N ASN A 70 -10.537 -2.335 -3.298 1.00 0.00 N ATOM 991 CA ASN A 70 -11.303 -2.035 -2.091 1.00 0.00 C ATOM 992 C ASN A 70 -10.421 -2.172 -0.854 1.00 0.00 C ATOM 993 O ASN A 70 -9.660 -3.127 -0.727 1.00 0.00 O ATOM 994 CB ASN A 70 -12.511 -2.967 -1.987 1.00 0.00 C ATOM 995 CG ASN A 70 -13.473 -2.798 -3.146 1.00 0.00 C ATOM 996 OD1 ASN A 70 -13.621 -1.704 -3.690 1.00 0.00 O ATOM 997 ND2 ASN A 70 -14.131 -3.884 -3.535 1.00 0.00 N ATOM 0 H ASN A 70 -9.979 -3.187 -3.241 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.659 -1.006 -2.151 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.167 -4.001 -1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.036 -2.774 -1.052 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.789 -3.830 -4.313 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.978 -4.772 -3.056 1.00 0.00 H new ATOM 1004 N VAL A 71 -10.531 -1.218 0.064 1.00 0.00 N ATOM 1005 CA VAL A 71 -9.721 -1.240 1.276 1.00 0.00 C ATOM 1006 C VAL A 71 -10.475 -1.857 2.450 1.00 0.00 C ATOM 1007 O VAL A 71 -11.624 -1.507 2.720 1.00 0.00 O ATOM 1008 CB VAL A 71 -9.261 0.177 1.667 1.00 0.00 C ATOM 1009 CG1 VAL A 71 -8.256 0.116 2.806 1.00 0.00 C ATOM 1010 CG2 VAL A 71 -8.668 0.896 0.465 1.00 0.00 C ATOM 0 H VAL A 71 -11.169 -0.425 -0.007 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.850 -1.856 1.053 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.130 0.740 2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.942 1.126 3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.717 -0.358 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.387 -0.464 2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.349 1.895 0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.810 0.336 0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.420 0.973 -0.321 1.00 0.00 H new ATOM 1020 N VAL A 72 -9.813 -2.781 3.143 1.00 0.00 N ATOM 1021 CA VAL A 72 -10.400 -3.450 4.298 1.00 0.00 C ATOM 1022 C VAL A 72 -9.390 -3.546 5.438 1.00 0.00 C ATOM 1023 O VAL A 72 -8.319 -4.133 5.285 1.00 0.00 O ATOM 1024 CB VAL A 72 -10.899 -4.866 3.942 1.00 0.00 C ATOM 1025 CG1 VAL A 72 -12.300 -4.807 3.353 1.00 0.00 C ATOM 1026 CG2 VAL A 72 -9.939 -5.552 2.986 1.00 0.00 C ATOM 0 H VAL A 72 -8.864 -3.084 2.922 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.253 -2.850 4.615 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.939 -5.455 4.859 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.635 -5.815 3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.982 -4.365 4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.289 -4.199 2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.311 -6.549 2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.858 -4.968 2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.957 -5.633 3.452 1.00 0.00 H new ATOM 1036 N LYS A 73 -9.740 -2.963 6.581 1.00 0.00 N ATOM 1037 CA LYS A 73 -8.863 -2.971 7.747 1.00 0.00 C ATOM 1038 C LYS A 73 -8.863 -4.331 8.440 1.00 0.00 C ATOM 1039 O LYS A 73 -9.820 -4.686 9.128 1.00 0.00 O ATOM 1040 CB LYS A 73 -9.295 -1.889 8.741 1.00 0.00 C ATOM 1041 CG LYS A 73 -8.492 -1.888 10.033 1.00 0.00 C ATOM 1042 CD LYS A 73 -9.180 -1.071 11.117 1.00 0.00 C ATOM 1043 CE LYS A 73 -9.070 0.422 10.854 1.00 0.00 C ATOM 1044 NZ LYS A 73 -7.691 0.929 11.097 1.00 0.00 N ATOM 0 H LYS A 73 -10.626 -2.479 6.724 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.851 -2.766 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.201 -0.913 8.265 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.350 -2.028 8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.357 -2.913 10.379 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.498 -1.481 9.845 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.231 -1.354 11.173 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.735 -1.303 12.085 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.357 0.631 9.824 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.771 0.956 11.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.662 1.954 10.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.419 0.737 12.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.027 0.450 10.456 1.00 0.00 H new ATOM 1058 N ALA A 74 -7.787 -5.089 8.252 1.00 0.00 N ATOM 1059 CA ALA A 74 -7.659 -6.397 8.880 1.00 0.00 C ATOM 1060 C ALA A 74 -7.206 -6.248 10.335 1.00 0.00 C ATOM 1061 O ALA A 74 -6.132 -5.698 10.600 1.00 0.00 O ATOM 1062 CB ALA A 74 -6.678 -7.268 8.105 1.00 0.00 C ATOM 0 H ALA A 74 -6.993 -4.820 7.671 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.635 -6.882 8.868 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.595 -8.241 8.589 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.036 -7.400 7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.700 -6.787 8.087 1.00 0.00 H new ATOM 1068 N PRO A 75 -8.016 -6.740 11.295 1.00 0.00 N ATOM 1069 CA PRO A 75 -7.703 -6.652 12.723 1.00 0.00 C ATOM 1070 C PRO A 75 -6.805 -7.784 13.213 1.00 0.00 C ATOM 1071 O PRO A 75 -5.871 -7.557 13.983 1.00 0.00 O ATOM 1072 CB PRO A 75 -9.080 -6.752 13.362 1.00 0.00 C ATOM 1073 CG PRO A 75 -9.814 -7.683 12.468 1.00 0.00 C ATOM 1074 CD PRO A 75 -9.316 -7.405 11.071 1.00 0.00 C ATOM 0 HA PRO A 75 -7.149 -5.746 12.967 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -9.022 -7.136 14.380 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.569 -5.779 13.416 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.628 -8.720 12.748 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.890 -7.522 12.537 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.203 -8.323 10.495 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.005 -6.765 10.519 1.00 0.00 H new ATOM 1082 N GLN A 76 -7.091 -9.003 12.765 1.00 0.00 N ATOM 1083 CA GLN A 76 -6.311 -10.169 13.166 1.00 0.00 C ATOM 1084 C GLN A 76 -4.989 -10.227 12.406 1.00 0.00 C ATOM 1085 O GLN A 76 -4.405 -11.296 12.231 1.00 0.00 O ATOM 1086 CB GLN A 76 -7.117 -11.448 12.924 1.00 0.00 C ATOM 1087 CG GLN A 76 -6.537 -12.673 13.611 1.00 0.00 C ATOM 1088 CD GLN A 76 -7.449 -13.881 13.520 1.00 0.00 C ATOM 1089 OE1 GLN A 76 -8.206 -14.032 12.559 1.00 0.00 O ATOM 1090 NE2 GLN A 76 -7.382 -14.750 14.521 1.00 0.00 N ATOM 0 H GLN A 76 -7.857 -9.209 12.124 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.089 -10.084 14.230 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.138 -11.295 13.274 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.172 -11.635 11.852 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.574 -12.915 13.161 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.350 -12.442 14.660 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.741 -14.586 15.297 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.972 -15.582 14.514 1.00 0.00 H new ATOM 1099 N GLY A 77 -4.516 -9.065 11.967 1.00 0.00 N ATOM 1100 CA GLY A 77 -3.270 -9.004 11.230 1.00 0.00 C ATOM 1101 C GLY A 77 -3.288 -9.884 9.998 1.00 0.00 C ATOM 1102 O GLY A 77 -4.346 -10.126 9.417 1.00 0.00 O ATOM 0 H GLY A 77 -4.974 -8.165 12.109 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.075 -7.973 10.935 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.450 -9.310 11.880 1.00 0.00 H new ATOM 1106 N LYS A 78 -2.116 -10.362 9.597 1.00 0.00 N ATOM 1107 CA LYS A 78 -2.006 -11.221 8.428 1.00 0.00 C ATOM 1108 C LYS A 78 -0.817 -12.167 8.560 1.00 0.00 C ATOM 1109 O LYS A 78 -0.941 -13.372 8.337 1.00 0.00 O ATOM 1110 CB LYS A 78 -1.871 -10.370 7.171 1.00 0.00 C ATOM 1111 CG LYS A 78 -2.043 -11.157 5.886 1.00 0.00 C ATOM 1112 CD LYS A 78 -3.414 -11.811 5.799 1.00 0.00 C ATOM 1113 CE LYS A 78 -4.533 -10.788 5.903 1.00 0.00 C ATOM 1114 NZ LYS A 78 -5.874 -11.409 5.718 1.00 0.00 N ATOM 0 H LYS A 78 -1.230 -10.169 10.065 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.911 -11.824 8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.613 -9.572 7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.890 -9.894 7.168 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.903 -10.493 5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.271 -11.924 5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.501 -12.350 4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.518 -12.546 6.597 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.490 -10.301 6.877 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.386 -10.012 5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.605 -10.778 6.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.049 -11.562 4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.906 -12.321 6.216 1.00 0.00 H new ATOM 1128 N ASN A 79 0.333 -11.612 8.925 1.00 0.00 N ATOM 1129 CA ASN A 79 1.549 -12.400 9.097 1.00 0.00 C ATOM 1130 C ASN A 79 2.479 -11.741 10.111 1.00 0.00 C ATOM 1131 O ASN A 79 3.203 -10.803 9.781 1.00 0.00 O ATOM 1132 CB ASN A 79 2.277 -12.573 7.762 1.00 0.00 C ATOM 1133 CG ASN A 79 1.521 -13.463 6.796 1.00 0.00 C ATOM 1134 OD1 ASN A 79 1.682 -14.684 6.805 1.00 0.00 O ATOM 1135 ND2 ASN A 79 0.695 -12.857 5.953 1.00 0.00 N ATOM 0 H ASN A 79 0.449 -10.615 9.108 1.00 0.00 H new ATOM 0 HA ASN A 79 1.261 -13.383 9.470 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.429 -11.595 7.306 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.265 -12.997 7.943 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.163 -13.406 5.278 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.592 -11.843 5.980 1.00 0.00 H new ATOM 1142 N GLN A 80 2.448 -12.233 11.347 1.00 0.00 N ATOM 1143 CA GLN A 80 3.289 -11.689 12.410 1.00 0.00 C ATOM 1144 C GLN A 80 2.995 -10.208 12.636 1.00 0.00 C ATOM 1145 O GLN A 80 3.742 -9.515 13.327 1.00 0.00 O ATOM 1146 CB GLN A 80 4.769 -11.879 12.067 1.00 0.00 C ATOM 1147 CG GLN A 80 5.210 -13.334 12.058 1.00 0.00 C ATOM 1148 CD GLN A 80 5.048 -14.002 13.409 1.00 0.00 C ATOM 1149 OE1 GLN A 80 5.139 -13.352 14.451 1.00 0.00 O ATOM 1150 NE2 GLN A 80 4.809 -15.308 13.400 1.00 0.00 N ATOM 0 H GLN A 80 1.850 -13.007 11.637 1.00 0.00 H new ATOM 0 HA GLN A 80 3.062 -12.230 13.329 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.965 -11.443 11.088 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.374 -11.329 12.788 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.630 -13.881 11.315 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.255 -13.391 11.752 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.741 -15.808 12.514 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.693 -15.811 14.280 1.00 0.00 H new ATOM 1159 N LYS A 81 1.901 -9.731 12.052 1.00 0.00 N ATOM 1160 CA LYS A 81 1.506 -8.335 12.182 1.00 0.00 C ATOM 1161 C LYS A 81 0.240 -8.192 13.020 1.00 0.00 C ATOM 1162 O LYS A 81 -0.450 -9.173 13.298 1.00 0.00 O ATOM 1163 CB LYS A 81 1.280 -7.728 10.798 1.00 0.00 C ATOM 1164 CG LYS A 81 2.556 -7.570 9.993 1.00 0.00 C ATOM 1165 CD LYS A 81 3.491 -6.561 10.635 1.00 0.00 C ATOM 1166 CE LYS A 81 4.787 -6.433 9.856 1.00 0.00 C ATOM 1167 NZ LYS A 81 5.661 -5.356 10.399 1.00 0.00 N ATOM 0 H LYS A 81 1.270 -10.294 11.482 1.00 0.00 H new ATOM 0 HA LYS A 81 2.311 -7.803 12.689 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.585 -8.357 10.243 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.807 -6.752 10.910 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.058 -8.534 9.911 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.312 -7.250 8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.999 -5.590 10.688 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.709 -6.865 11.659 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.322 -7.382 9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.562 -6.224 8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.535 -5.303 9.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.161 -4.445 10.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.898 -5.567 11.389 1.00 0.00 H new ATOM 1181 N SER A 82 -0.056 -6.959 13.419 1.00 0.00 N ATOM 1182 CA SER A 82 -1.243 -6.672 14.217 1.00 0.00 C ATOM 1183 C SER A 82 -2.172 -5.728 13.460 1.00 0.00 C ATOM 1184 O SER A 82 -3.395 -5.823 13.564 1.00 0.00 O ATOM 1185 CB SER A 82 -0.848 -6.053 15.559 1.00 0.00 C ATOM 1186 OG SER A 82 -1.991 -5.771 16.346 1.00 0.00 O ATOM 0 H SER A 82 0.512 -6.140 13.202 1.00 0.00 H new ATOM 0 HA SER A 82 -1.768 -7.609 14.405 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.191 -6.735 16.098 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.285 -5.136 15.388 1.00 0.00 H new ATOM 0 HG SER A 82 -2.166 -4.807 16.335 1.00 0.00 H new ATOM 1192 N PHE A 83 -1.574 -4.818 12.698 1.00 0.00 N ATOM 1193 CA PHE A 83 -2.330 -3.854 11.907 1.00 0.00 C ATOM 1194 C PHE A 83 -2.076 -4.084 10.421 1.00 0.00 C ATOM 1195 O PHE A 83 -1.001 -3.763 9.914 1.00 0.00 O ATOM 1196 CB PHE A 83 -1.929 -2.426 12.280 1.00 0.00 C ATOM 1197 CG PHE A 83 -1.612 -2.235 13.736 1.00 0.00 C ATOM 1198 CD1 PHE A 83 -2.568 -2.481 14.708 1.00 0.00 C ATOM 1199 CD2 PHE A 83 -0.355 -1.806 14.128 1.00 0.00 C ATOM 1200 CE1 PHE A 83 -2.274 -2.300 16.048 1.00 0.00 C ATOM 1201 CE2 PHE A 83 -0.054 -1.624 15.464 1.00 0.00 C ATOM 1202 CZ PHE A 83 -1.015 -1.871 16.425 1.00 0.00 C ATOM 0 H PHE A 83 -0.562 -4.728 12.612 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.391 -3.990 12.118 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.059 -2.139 11.690 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.738 -1.750 12.004 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.552 -2.817 14.417 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.399 -1.611 13.380 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.027 -2.494 16.798 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.930 -1.289 15.756 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.783 -1.729 17.470 1.00 0.00 H new ATOM 1212 N VAL A 84 -3.062 -4.642 9.724 1.00 0.00 N ATOM 1213 CA VAL A 84 -2.913 -4.917 8.298 1.00 0.00 C ATOM 1214 C VAL A 84 -4.161 -4.524 7.514 1.00 0.00 C ATOM 1215 O VAL A 84 -5.275 -4.607 8.022 1.00 0.00 O ATOM 1216 CB VAL A 84 -2.617 -6.414 8.047 1.00 0.00 C ATOM 1217 CG1 VAL A 84 -2.773 -6.771 6.574 1.00 0.00 C ATOM 1218 CG2 VAL A 84 -1.225 -6.776 8.537 1.00 0.00 C ATOM 0 H VAL A 84 -3.964 -4.910 10.118 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.073 -4.315 7.952 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.346 -6.995 8.612 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.558 -7.830 6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.794 -6.562 6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.079 -6.177 5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.037 -7.833 8.351 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.485 -6.177 8.006 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.153 -6.577 9.606 1.00 0.00 H new ATOM 1228 N PHE A 85 -3.951 -4.079 6.281 1.00 0.00 N ATOM 1229 CA PHE A 85 -5.045 -3.705 5.393 1.00 0.00 C ATOM 1230 C PHE A 85 -4.946 -4.526 4.113 1.00 0.00 C ATOM 1231 O PHE A 85 -3.866 -4.996 3.760 1.00 0.00 O ATOM 1232 CB PHE A 85 -5.006 -2.210 5.067 1.00 0.00 C ATOM 1233 CG PHE A 85 -5.552 -1.335 6.160 1.00 0.00 C ATOM 1234 CD1 PHE A 85 -4.941 -1.288 7.402 1.00 0.00 C ATOM 1235 CD2 PHE A 85 -6.674 -0.555 5.939 1.00 0.00 C ATOM 1236 CE1 PHE A 85 -5.440 -0.477 8.403 1.00 0.00 C ATOM 1237 CE2 PHE A 85 -7.178 0.257 6.935 1.00 0.00 C ATOM 1238 CZ PHE A 85 -6.560 0.297 8.169 1.00 0.00 C ATOM 0 H PHE A 85 -3.024 -3.968 5.870 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.992 -3.909 5.893 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.976 -1.919 4.863 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.574 -2.032 4.154 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.065 -1.892 7.590 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.161 -0.582 4.975 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.955 -0.448 9.368 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.054 0.860 6.749 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.951 0.932 8.950 1.00 0.00 H new ATOM 1248 N ILE A 86 -6.063 -4.704 3.419 1.00 0.00 N ATOM 1249 CA ILE A 86 -6.058 -5.500 2.198 1.00 0.00 C ATOM 1250 C ILE A 86 -6.819 -4.833 1.061 1.00 0.00 C ATOM 1251 O ILE A 86 -7.928 -4.334 1.246 1.00 0.00 O ATOM 1252 CB ILE A 86 -6.682 -6.886 2.441 1.00 0.00 C ATOM 1253 CG1 ILE A 86 -6.014 -7.574 3.632 1.00 0.00 C ATOM 1254 CG2 ILE A 86 -6.569 -7.745 1.190 1.00 0.00 C ATOM 1255 CD1 ILE A 86 -6.731 -8.829 4.079 1.00 0.00 C ATOM 0 H ILE A 86 -6.971 -4.315 3.675 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.011 -5.597 1.912 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.739 -6.755 2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.987 -7.826 3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.966 -6.875 4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.015 -8.722 1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.093 -7.259 0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.518 -7.870 0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.204 -9.266 4.927 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.750 -8.580 4.374 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.756 -9.546 3.258 1.00 0.00 H new ATOM 1267 N LEU A 87 -6.205 -4.821 -0.115 1.00 0.00 N ATOM 1268 CA LEU A 87 -6.834 -4.267 -1.299 1.00 0.00 C ATOM 1269 C LEU A 87 -7.538 -5.377 -2.068 1.00 0.00 C ATOM 1270 O LEU A 87 -6.937 -6.404 -2.381 1.00 0.00 O ATOM 1271 CB LEU A 87 -5.801 -3.589 -2.196 1.00 0.00 C ATOM 1272 CG LEU A 87 -5.431 -2.157 -1.810 1.00 0.00 C ATOM 1273 CD1 LEU A 87 -6.674 -1.286 -1.699 1.00 0.00 C ATOM 1274 CD2 LEU A 87 -4.641 -2.130 -0.515 1.00 0.00 C ATOM 0 H LEU A 87 -5.268 -5.191 -0.271 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.562 -3.518 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.893 -4.193 -2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.180 -3.585 -3.218 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.800 -1.750 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.384 -0.272 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.192 -1.267 -2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.337 -1.694 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.390 -1.100 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.240 -2.564 0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.724 -2.707 -0.636 1.00 0.00 H new ATOM 1286 N GLU A 88 -8.808 -5.165 -2.370 1.00 0.00 N ATOM 1287 CA GLU A 88 -9.595 -6.156 -3.091 1.00 0.00 C ATOM 1288 C GLU A 88 -9.930 -5.656 -4.493 1.00 0.00 C ATOM 1289 O GLU A 88 -10.726 -4.734 -4.655 1.00 0.00 O ATOM 1290 CB GLU A 88 -10.877 -6.476 -2.320 1.00 0.00 C ATOM 1291 CG GLU A 88 -10.627 -7.042 -0.930 1.00 0.00 C ATOM 1292 CD GLU A 88 -11.912 -7.345 -0.185 1.00 0.00 C ATOM 1293 OE1 GLU A 88 -12.420 -6.443 0.514 1.00 0.00 O ATOM 1294 OE2 GLU A 88 -12.410 -8.484 -0.299 1.00 0.00 O ATOM 0 H GLU A 88 -9.318 -4.315 -2.128 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.005 -7.068 -3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.474 -5.568 -2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.467 -7.191 -2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.036 -7.954 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.036 -6.331 -0.353 1.00 0.00 H new ATOM 1301 N PRO A 89 -9.331 -6.269 -5.530 1.00 0.00 N ATOM 1302 CA PRO A 89 -9.559 -5.865 -6.921 1.00 0.00 C ATOM 1303 C PRO A 89 -11.003 -6.059 -7.355 1.00 0.00 C ATOM 1304 O PRO A 89 -11.559 -7.150 -7.231 1.00 0.00 O ATOM 1305 CB PRO A 89 -8.636 -6.787 -7.722 1.00 0.00 C ATOM 1306 CG PRO A 89 -8.417 -7.960 -6.833 1.00 0.00 C ATOM 1307 CD PRO A 89 -8.406 -7.413 -5.438 1.00 0.00 C ATOM 0 HA PRO A 89 -9.357 -4.804 -7.069 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.094 -7.084 -8.666 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.696 -6.293 -7.966 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.208 -8.699 -6.958 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.476 -8.458 -7.066 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.746 -8.151 -4.711 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.407 -7.102 -5.133 1.00 0.00 H new ATOM 1315 N LYS A 90 -11.603 -4.992 -7.864 1.00 0.00 N ATOM 1316 CA LYS A 90 -12.980 -5.041 -8.326 1.00 0.00 C ATOM 1317 C LYS A 90 -13.042 -5.563 -9.757 1.00 0.00 C ATOM 1318 O LYS A 90 -14.077 -5.474 -10.418 1.00 0.00 O ATOM 1319 CB LYS A 90 -13.617 -3.652 -8.248 1.00 0.00 C ATOM 1320 CG LYS A 90 -13.520 -3.014 -6.871 1.00 0.00 C ATOM 1321 CD LYS A 90 -14.080 -1.600 -6.867 1.00 0.00 C ATOM 1322 CE LYS A 90 -15.574 -1.585 -7.152 1.00 0.00 C ATOM 1323 NZ LYS A 90 -16.131 -0.205 -7.127 1.00 0.00 N ATOM 0 H LYS A 90 -11.156 -4.081 -7.967 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.536 -5.720 -7.680 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.136 -2.999 -8.976 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.667 -3.726 -8.532 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.063 -3.623 -6.148 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.478 -2.994 -6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.890 -1.136 -5.899 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.561 -1.001 -7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.762 -2.034 -8.127 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.090 -2.198 -6.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.151 -0.239 -7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.975 0.215 -6.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.657 0.374 -7.849 1.00 0.00 H new ATOM 1337 N GLN A 91 -11.924 -6.111 -10.227 1.00 0.00 N ATOM 1338 CA GLN A 91 -11.848 -6.645 -11.582 1.00 0.00 C ATOM 1339 C GLN A 91 -12.839 -7.785 -11.782 1.00 0.00 C ATOM 1340 O GLN A 91 -13.839 -7.633 -12.484 1.00 0.00 O ATOM 1341 CB GLN A 91 -10.428 -7.125 -11.884 1.00 0.00 C ATOM 1342 CG GLN A 91 -9.386 -6.021 -11.822 1.00 0.00 C ATOM 1343 CD GLN A 91 -9.647 -4.916 -12.827 1.00 0.00 C ATOM 1344 OE1 GLN A 91 -10.344 -3.945 -12.533 1.00 0.00 O ATOM 1345 NE2 GLN A 91 -9.085 -5.058 -14.023 1.00 0.00 N ATOM 0 H GLN A 91 -11.061 -6.196 -9.690 1.00 0.00 H new ATOM 0 HA GLN A 91 -12.108 -5.844 -12.273 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.159 -7.907 -11.174 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.409 -7.575 -12.876 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.370 -5.597 -10.818 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -8.399 -6.447 -12.004 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.514 -5.879 -14.224 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -9.224 -4.346 -14.740 1.00 0.00 H new ATOM 1354 N GLN A 92 -12.559 -8.925 -11.159 1.00 0.00 N ATOM 1355 CA GLN A 92 -13.427 -10.091 -11.279 1.00 0.00 C ATOM 1356 C GLN A 92 -13.014 -11.186 -10.302 1.00 0.00 C ATOM 1357 O GLN A 92 -13.250 -12.369 -10.545 1.00 0.00 O ATOM 1358 CB GLN A 92 -13.380 -10.630 -12.707 1.00 0.00 C ATOM 1359 CG GLN A 92 -14.754 -10.861 -13.313 1.00 0.00 C ATOM 1360 CD GLN A 92 -14.686 -11.428 -14.717 1.00 0.00 C ATOM 1361 OE1 GLN A 92 -14.649 -10.685 -15.697 1.00 0.00 O ATOM 1362 NE2 GLN A 92 -14.669 -12.752 -14.820 1.00 0.00 N ATOM 0 H GLN A 92 -11.740 -9.066 -10.567 1.00 0.00 H new ATOM 0 HA GLN A 92 -14.444 -9.783 -11.038 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.828 -9.929 -13.334 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.826 -11.569 -12.715 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -15.317 -11.544 -12.677 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.301 -9.919 -13.332 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.701 -13.329 -13.980 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -14.624 -13.191 -15.739 1.00 0.00 H new ATOM 1371 N GLY A 93 -12.405 -10.784 -9.193 1.00 0.00 N ATOM 1372 CA GLY A 93 -11.963 -11.746 -8.202 1.00 0.00 C ATOM 1373 C GLY A 93 -10.458 -11.910 -8.202 1.00 0.00 C ATOM 1374 O GLY A 93 -9.925 -12.844 -7.601 1.00 0.00 O ATOM 0 H GLY A 93 -12.210 -9.810 -8.963 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.293 -11.426 -7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.433 -12.710 -8.398 1.00 0.00 H new ATOM 1378 N ASP A 94 -9.776 -10.998 -8.888 1.00 0.00 N ATOM 1379 CA ASP A 94 -8.321 -11.020 -8.979 1.00 0.00 C ATOM 1380 C ASP A 94 -7.682 -11.129 -7.592 1.00 0.00 C ATOM 1381 O ASP A 94 -8.338 -10.891 -6.577 1.00 0.00 O ATOM 1382 CB ASP A 94 -7.832 -9.760 -9.695 1.00 0.00 C ATOM 1383 CG ASP A 94 -8.340 -9.669 -11.122 1.00 0.00 C ATOM 1384 OD1 ASP A 94 -9.530 -9.974 -11.349 1.00 0.00 O ATOM 1385 OD2 ASP A 94 -7.546 -9.303 -12.013 1.00 0.00 O ATOM 0 H ASP A 94 -10.214 -10.228 -9.393 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.023 -11.898 -9.551 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.158 -8.881 -9.140 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.742 -9.748 -9.699 1.00 0.00 H new ATOM 1390 N PRO A 95 -6.388 -11.495 -7.533 1.00 0.00 N ATOM 1391 CA PRO A 95 -5.654 -11.643 -6.267 1.00 0.00 C ATOM 1392 C PRO A 95 -5.587 -10.343 -5.460 1.00 0.00 C ATOM 1393 O PRO A 95 -5.446 -9.260 -6.028 1.00 0.00 O ATOM 1394 CB PRO A 95 -4.248 -12.053 -6.719 1.00 0.00 C ATOM 1395 CG PRO A 95 -4.163 -11.601 -8.133 1.00 0.00 C ATOM 1396 CD PRO A 95 -5.533 -11.805 -8.689 1.00 0.00 C ATOM 0 HA PRO A 95 -6.140 -12.360 -5.606 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.481 -11.581 -6.105 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.104 -13.130 -6.638 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.864 -10.555 -8.195 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.423 -12.178 -8.687 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -5.733 -11.143 -9.532 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -5.681 -12.825 -9.043 1.00 0.00 H new ATOM 1404 N PRO A 96 -5.688 -10.439 -4.119 1.00 0.00 N ATOM 1405 CA PRO A 96 -5.633 -9.281 -3.230 1.00 0.00 C ATOM 1406 C PRO A 96 -4.202 -8.927 -2.825 1.00 0.00 C ATOM 1407 O PRO A 96 -3.272 -9.699 -3.058 1.00 0.00 O ATOM 1408 CB PRO A 96 -6.429 -9.756 -2.022 1.00 0.00 C ATOM 1409 CG PRO A 96 -6.167 -11.225 -1.950 1.00 0.00 C ATOM 1410 CD PRO A 96 -5.873 -11.690 -3.358 1.00 0.00 C ATOM 0 HA PRO A 96 -6.022 -8.376 -3.696 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -6.106 -9.251 -1.112 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -7.492 -9.549 -2.142 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.325 -11.435 -1.291 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.030 -11.751 -1.542 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.980 -12.314 -3.393 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.693 -12.284 -3.761 1.00 0.00 H new ATOM 1418 N VAL A 97 -4.034 -7.754 -2.217 1.00 0.00 N ATOM 1419 CA VAL A 97 -2.717 -7.302 -1.773 1.00 0.00 C ATOM 1420 C VAL A 97 -2.756 -6.864 -0.311 1.00 0.00 C ATOM 1421 O VAL A 97 -3.655 -6.131 0.101 1.00 0.00 O ATOM 1422 CB VAL A 97 -2.203 -6.133 -2.637 1.00 0.00 C ATOM 1423 CG1 VAL A 97 -0.777 -5.771 -2.253 1.00 0.00 C ATOM 1424 CG2 VAL A 97 -2.293 -6.479 -4.115 1.00 0.00 C ATOM 0 H VAL A 97 -4.792 -7.100 -2.021 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.036 -8.146 -1.880 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.836 -5.265 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.432 -4.944 -2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.747 -5.475 -1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.129 -6.634 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.926 -5.641 -4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.687 -7.362 -4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.331 -6.682 -4.379 1.00 0.00 H new ATOM 1434 N GLU A 98 -1.777 -7.315 0.471 1.00 0.00 N ATOM 1435 CA GLU A 98 -1.714 -6.974 1.889 1.00 0.00 C ATOM 1436 C GLU A 98 -0.697 -5.867 2.160 1.00 0.00 C ATOM 1437 O GLU A 98 0.366 -5.814 1.541 1.00 0.00 O ATOM 1438 CB GLU A 98 -1.350 -8.209 2.713 1.00 0.00 C ATOM 1439 CG GLU A 98 -2.463 -9.239 2.801 1.00 0.00 C ATOM 1440 CD GLU A 98 -2.879 -9.777 1.445 1.00 0.00 C ATOM 1441 OE1 GLU A 98 -2.194 -10.687 0.933 1.00 0.00 O ATOM 1442 OE2 GLU A 98 -3.888 -9.289 0.897 1.00 0.00 O ATOM 0 H GLU A 98 -1.019 -7.916 0.147 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.700 -6.611 2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.468 -8.678 2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.079 -7.895 3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.136 -10.067 3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.328 -8.791 3.289 1.00 0.00 H new ATOM 1449 N PHE A 99 -1.039 -4.990 3.099 1.00 0.00 N ATOM 1450 CA PHE A 99 -0.170 -3.884 3.490 1.00 0.00 C ATOM 1451 C PHE A 99 -0.065 -3.810 5.012 1.00 0.00 C ATOM 1452 O PHE A 99 -0.947 -4.292 5.723 1.00 0.00 O ATOM 1453 CB PHE A 99 -0.716 -2.557 2.959 1.00 0.00 C ATOM 1454 CG PHE A 99 -0.535 -2.346 1.483 1.00 0.00 C ATOM 1455 CD1 PHE A 99 -1.322 -3.025 0.568 1.00 0.00 C ATOM 1456 CD2 PHE A 99 0.412 -1.450 1.013 1.00 0.00 C ATOM 1457 CE1 PHE A 99 -1.166 -2.816 -0.789 1.00 0.00 C ATOM 1458 CE2 PHE A 99 0.574 -1.239 -0.342 1.00 0.00 C ATOM 1459 CZ PHE A 99 -0.217 -1.923 -1.245 1.00 0.00 C ATOM 0 H PHE A 99 -1.922 -5.025 3.608 1.00 0.00 H new ATOM 0 HA PHE A 99 0.817 -4.061 3.063 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.779 -2.499 3.192 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.228 -1.741 3.491 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.066 -3.725 0.919 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.031 -0.910 1.715 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.786 -3.351 -1.493 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.318 -0.540 -0.695 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.093 -1.759 -2.305 1.00 0.00 H new ATOM 1469 N ALA A 100 1.011 -3.208 5.511 1.00 0.00 N ATOM 1470 CA ALA A 100 1.205 -3.078 6.954 1.00 0.00 C ATOM 1471 C ALA A 100 2.183 -1.957 7.292 1.00 0.00 C ATOM 1472 O ALA A 100 3.041 -1.600 6.484 1.00 0.00 O ATOM 1473 CB ALA A 100 1.687 -4.393 7.544 1.00 0.00 C ATOM 0 H ALA A 100 1.757 -2.805 4.944 1.00 0.00 H new ATOM 0 HA ALA A 100 0.241 -2.822 7.394 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.827 -4.280 8.619 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.947 -5.170 7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.634 -4.673 7.083 1.00 0.00 H new ATOM 1479 N THR A 101 2.046 -1.407 8.497 1.00 0.00 N ATOM 1480 CA THR A 101 2.917 -0.332 8.959 1.00 0.00 C ATOM 1481 C THR A 101 3.674 -0.747 10.216 1.00 0.00 C ATOM 1482 O THR A 101 3.657 -1.914 10.606 1.00 0.00 O ATOM 1483 CB THR A 101 2.121 0.953 9.259 1.00 0.00 C ATOM 1484 OG1 THR A 101 1.058 0.670 10.177 1.00 0.00 O ATOM 1485 CG2 THR A 101 1.549 1.550 7.982 1.00 0.00 C ATOM 0 H THR A 101 1.336 -1.691 9.173 1.00 0.00 H new ATOM 0 HA THR A 101 3.624 -0.131 8.154 1.00 0.00 H new ATOM 0 HB THR A 101 2.803 1.677 9.705 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.179 1.201 10.992 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.992 2.456 8.222 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.362 1.794 7.298 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.882 0.828 7.510 1.00 0.00 H new ATOM 1493 N ASP A 102 4.339 0.217 10.847 1.00 0.00 N ATOM 1494 CA ASP A 102 5.101 -0.048 12.062 1.00 0.00 C ATOM 1495 C ASP A 102 4.487 0.675 13.255 1.00 0.00 C ATOM 1496 O ASP A 102 4.714 0.304 14.406 1.00 0.00 O ATOM 1497 CB ASP A 102 6.555 0.390 11.880 1.00 0.00 C ATOM 1498 CG ASP A 102 6.694 1.888 11.697 1.00 0.00 C ATOM 1499 OD1 ASP A 102 6.065 2.434 10.766 1.00 0.00 O ATOM 1500 OD2 ASP A 102 7.433 2.516 12.485 1.00 0.00 O ATOM 0 H ASP A 102 4.365 1.188 10.537 1.00 0.00 H new ATOM 0 HA ASP A 102 5.072 -1.120 12.255 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.136 0.078 12.748 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.978 -0.119 11.014 1.00 0.00 H new ATOM 1505 N ARG A 103 3.706 1.711 12.966 1.00 0.00 N ATOM 1506 CA ARG A 103 3.054 2.493 14.010 1.00 0.00 C ATOM 1507 C ARG A 103 1.569 2.667 13.706 1.00 0.00 C ATOM 1508 O ARG A 103 1.111 2.353 12.607 1.00 0.00 O ATOM 1509 CB ARG A 103 3.719 3.864 14.145 1.00 0.00 C ATOM 1510 CG ARG A 103 5.238 3.810 14.097 1.00 0.00 C ATOM 1511 CD ARG A 103 5.857 5.125 14.542 1.00 0.00 C ATOM 1512 NE ARG A 103 5.487 5.468 15.913 1.00 0.00 N ATOM 1513 CZ ARG A 103 5.952 6.534 16.558 1.00 0.00 C ATOM 1514 NH1 ARG A 103 6.801 7.358 15.959 1.00 0.00 N ATOM 1515 NH2 ARG A 103 5.568 6.776 17.803 1.00 0.00 N ATOM 0 H ARG A 103 3.509 2.028 12.017 1.00 0.00 H new ATOM 0 HA ARG A 103 3.158 1.953 14.951 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.361 4.513 13.345 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.409 4.318 15.086 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.595 3.004 14.738 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.563 3.579 13.083 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.942 5.059 14.465 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.538 5.922 13.870 1.00 0.00 H new ATOM 0 HE ARG A 103 4.835 4.855 16.403 1.00 0.00 H new ATOM 0 HH11 ARG A 103 7.099 7.175 15.001 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.156 8.175 16.456 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.915 6.144 18.267 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.925 7.594 18.297 1.00 0.00 H new ATOM 1529 N VAL A 104 0.823 3.169 14.684 1.00 0.00 N ATOM 1530 CA VAL A 104 -0.609 3.385 14.517 1.00 0.00 C ATOM 1531 C VAL A 104 -0.884 4.653 13.712 1.00 0.00 C ATOM 1532 O VAL A 104 -1.884 4.742 12.998 1.00 0.00 O ATOM 1533 CB VAL A 104 -1.327 3.480 15.878 1.00 0.00 C ATOM 1534 CG1 VAL A 104 -0.839 4.688 16.662 1.00 0.00 C ATOM 1535 CG2 VAL A 104 -2.835 3.531 15.685 1.00 0.00 C ATOM 0 H VAL A 104 1.186 3.434 15.600 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.998 2.524 13.973 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.088 2.586 16.454 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.359 4.735 17.619 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.233 4.600 16.836 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.041 5.596 16.094 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.324 3.598 16.657 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.096 4.404 15.087 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.167 2.628 15.173 1.00 0.00 H new ATOM 1545 N GLU A 105 0.010 5.631 13.830 1.00 0.00 N ATOM 1546 CA GLU A 105 -0.135 6.891 13.110 1.00 0.00 C ATOM 1547 C GLU A 105 0.090 6.687 11.616 1.00 0.00 C ATOM 1548 O GLU A 105 -0.752 7.056 10.797 1.00 0.00 O ATOM 1549 CB GLU A 105 0.850 7.930 13.650 1.00 0.00 C ATOM 1550 CG GLU A 105 0.661 8.236 15.127 1.00 0.00 C ATOM 1551 CD GLU A 105 1.644 9.270 15.638 1.00 0.00 C ATOM 1552 OE1 GLU A 105 2.740 8.876 16.089 1.00 0.00 O ATOM 1553 OE2 GLU A 105 1.318 10.475 15.588 1.00 0.00 O ATOM 0 H GLU A 105 0.842 5.574 14.417 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.151 7.255 13.262 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.867 7.573 13.489 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.742 8.852 13.079 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.355 8.593 15.293 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.774 7.317 15.702 1.00 0.00 H new ATOM 1560 N GLU A 106 1.232 6.102 11.268 1.00 0.00 N ATOM 1561 CA GLU A 106 1.562 5.843 9.872 1.00 0.00 C ATOM 1562 C GLU A 106 0.492 4.969 9.232 1.00 0.00 C ATOM 1563 O GLU A 106 0.297 4.991 8.017 1.00 0.00 O ATOM 1564 CB GLU A 106 2.924 5.155 9.761 1.00 0.00 C ATOM 1565 CG GLU A 106 4.043 5.893 10.476 1.00 0.00 C ATOM 1566 CD GLU A 106 4.255 7.295 9.939 1.00 0.00 C ATOM 1567 OE1 GLU A 106 5.057 7.453 8.994 1.00 0.00 O ATOM 1568 OE2 GLU A 106 3.621 8.235 10.463 1.00 0.00 O ATOM 0 H GLU A 106 1.943 5.799 11.933 1.00 0.00 H new ATOM 0 HA GLU A 106 1.606 6.798 9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.846 4.148 10.170 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.184 5.052 8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.815 5.947 11.541 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.969 5.326 10.376 1.00 0.00 H new ATOM 1575 N LEU A 107 -0.199 4.198 10.066 1.00 0.00 N ATOM 1576 CA LEU A 107 -1.254 3.311 9.596 1.00 0.00 C ATOM 1577 C LEU A 107 -2.449 4.109 9.094 1.00 0.00 C ATOM 1578 O LEU A 107 -2.868 3.964 7.947 1.00 0.00 O ATOM 1579 CB LEU A 107 -1.702 2.381 10.726 1.00 0.00 C ATOM 1580 CG LEU A 107 -2.692 1.293 10.309 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -1.957 -0.001 10.016 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -3.741 1.073 11.388 1.00 0.00 C ATOM 0 H LEU A 107 -0.045 4.171 11.074 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.856 2.719 8.772 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.821 1.905 11.156 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.156 2.982 11.514 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.200 1.622 9.403 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.673 -0.767 9.720 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.244 0.161 9.208 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.425 -0.327 10.909 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.434 0.295 11.069 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.253 0.767 12.313 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.289 2.000 11.557 1.00 0.00 H new ATOM 1594 N PHE A 108 -2.986 4.959 9.960 1.00 0.00 N ATOM 1595 CA PHE A 108 -4.142 5.772 9.614 1.00 0.00 C ATOM 1596 C PHE A 108 -3.803 6.797 8.539 1.00 0.00 C ATOM 1597 O PHE A 108 -4.667 7.205 7.777 1.00 0.00 O ATOM 1598 CB PHE A 108 -4.683 6.484 10.854 1.00 0.00 C ATOM 1599 CG PHE A 108 -6.181 6.445 10.961 1.00 0.00 C ATOM 1600 CD1 PHE A 108 -6.829 5.286 11.359 1.00 0.00 C ATOM 1601 CD2 PHE A 108 -6.940 7.565 10.664 1.00 0.00 C ATOM 1602 CE1 PHE A 108 -8.206 5.246 11.459 1.00 0.00 C ATOM 1603 CE2 PHE A 108 -8.318 7.531 10.761 1.00 0.00 C ATOM 1604 CZ PHE A 108 -8.952 6.370 11.160 1.00 0.00 C ATOM 0 H PHE A 108 -2.638 5.102 10.908 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.907 5.104 9.218 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -4.251 6.026 11.744 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.355 7.523 10.839 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -6.251 4.405 11.593 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.449 8.475 10.353 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.699 4.337 11.771 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -8.899 8.411 10.525 1.00 0.00 H new ATOM 0 HZ PHE A 108 -10.029 6.341 11.238 1.00 0.00 H new ATOM 1614 N GLU A 109 -2.548 7.212 8.477 1.00 0.00 N ATOM 1615 CA GLU A 109 -2.130 8.204 7.490 1.00 0.00 C ATOM 1616 C GLU A 109 -2.124 7.624 6.075 1.00 0.00 C ATOM 1617 O GLU A 109 -2.814 8.122 5.183 1.00 0.00 O ATOM 1618 CB GLU A 109 -0.738 8.736 7.841 1.00 0.00 C ATOM 1619 CG GLU A 109 -0.215 9.775 6.861 1.00 0.00 C ATOM 1620 CD GLU A 109 -1.082 11.018 6.811 1.00 0.00 C ATOM 1621 OE1 GLU A 109 -0.827 11.952 7.600 1.00 0.00 O ATOM 1622 OE2 GLU A 109 -2.015 11.058 5.982 1.00 0.00 O ATOM 0 H GLU A 109 -1.804 6.883 9.092 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.851 9.021 7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.767 9.173 8.839 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.039 7.901 7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.800 10.056 7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.160 9.335 5.865 1.00 0.00 H new ATOM 1629 N TRP A 110 -1.356 6.559 5.886 1.00 0.00 N ATOM 1630 CA TRP A 110 -1.232 5.920 4.579 1.00 0.00 C ATOM 1631 C TRP A 110 -2.510 5.201 4.152 1.00 0.00 C ATOM 1632 O TRP A 110 -2.974 5.367 3.025 1.00 0.00 O ATOM 1633 CB TRP A 110 -0.069 4.927 4.595 1.00 0.00 C ATOM 1634 CG TRP A 110 1.224 5.519 4.125 1.00 0.00 C ATOM 1635 CD1 TRP A 110 2.239 5.996 4.903 1.00 0.00 C ATOM 1636 CD2 TRP A 110 1.639 5.697 2.768 1.00 0.00 C ATOM 1637 NE1 TRP A 110 3.261 6.459 4.110 1.00 0.00 N ATOM 1638 CE2 TRP A 110 2.916 6.286 2.797 1.00 0.00 C ATOM 1639 CE3 TRP A 110 1.055 5.414 1.529 1.00 0.00 C ATOM 1640 CZ2 TRP A 110 3.618 6.596 1.636 1.00 0.00 C ATOM 1641 CZ3 TRP A 110 1.755 5.723 0.378 1.00 0.00 C ATOM 1642 CH2 TRP A 110 3.024 6.308 0.438 1.00 0.00 C ATOM 0 H TRP A 110 -0.807 6.117 6.623 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.045 6.711 3.853 1.00 0.00 H new ATOM 0 HB2 TRP A 110 0.061 4.547 5.608 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.320 4.074 3.964 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.239 6.008 5.983 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.134 6.865 4.445 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.076 4.963 1.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.598 7.048 1.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.314 5.509 -0.585 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.545 6.537 -0.480 1.00 0.00 H new ATOM 1653 N PHE A 111 -3.073 4.405 5.052 1.00 0.00 N ATOM 1654 CA PHE A 111 -4.274 3.637 4.745 1.00 0.00 C ATOM 1655 C PHE A 111 -5.501 4.521 4.533 1.00 0.00 C ATOM 1656 O PHE A 111 -6.388 4.168 3.756 1.00 0.00 O ATOM 1657 CB PHE A 111 -4.508 2.586 5.825 1.00 0.00 C ATOM 1658 CG PHE A 111 -3.493 1.486 5.736 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -3.315 0.804 4.545 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -2.699 1.152 6.819 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -2.371 -0.193 4.436 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -1.748 0.154 6.713 1.00 0.00 C ATOM 1663 CZ PHE A 111 -1.585 -0.519 5.521 1.00 0.00 C ATOM 0 H PHE A 111 -2.718 4.274 5.999 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.111 3.129 3.794 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.457 3.053 6.809 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.510 2.170 5.721 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.924 1.057 3.690 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.823 1.676 7.755 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.246 -0.719 3.501 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.133 -0.098 7.564 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.843 -1.300 5.437 1.00 0.00 H new ATOM 1673 N GLN A 112 -5.562 5.662 5.211 1.00 0.00 N ATOM 1674 CA GLN A 112 -6.688 6.571 5.028 1.00 0.00 C ATOM 1675 C GLN A 112 -6.602 7.195 3.642 1.00 0.00 C ATOM 1676 O GLN A 112 -7.619 7.434 2.993 1.00 0.00 O ATOM 1677 CB GLN A 112 -6.699 7.653 6.109 1.00 0.00 C ATOM 1678 CG GLN A 112 -7.987 8.456 6.180 1.00 0.00 C ATOM 1679 CD GLN A 112 -8.119 9.462 5.053 1.00 0.00 C ATOM 1680 OE1 GLN A 112 -7.124 9.981 4.549 1.00 0.00 O ATOM 1681 NE2 GLN A 112 -9.354 9.742 4.653 1.00 0.00 N ATOM 0 H GLN A 112 -4.859 5.976 5.880 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.619 6.011 5.117 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -6.524 7.184 7.077 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -5.869 8.336 5.931 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -8.836 7.774 6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.030 8.980 7.135 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -10.150 9.287 5.100 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -9.506 10.412 3.899 1.00 0.00 H new ATOM 1690 N SER A 113 -5.372 7.454 3.195 1.00 0.00 N ATOM 1691 CA SER A 113 -5.145 8.021 1.872 1.00 0.00 C ATOM 1692 C SER A 113 -5.561 7.021 0.800 1.00 0.00 C ATOM 1693 O SER A 113 -6.272 7.370 -0.139 1.00 0.00 O ATOM 1694 CB SER A 113 -3.673 8.401 1.696 1.00 0.00 C ATOM 1695 OG SER A 113 -3.450 9.008 0.435 1.00 0.00 O ATOM 0 H SER A 113 -4.522 7.279 3.731 1.00 0.00 H new ATOM 0 HA SER A 113 -5.748 8.923 1.771 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.373 9.085 2.490 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.051 7.511 1.790 1.00 0.00 H new ATOM 0 HG SER A 113 -2.708 9.645 0.505 1.00 0.00 H new ATOM 1701 N ILE A 114 -5.111 5.773 0.939 1.00 0.00 N ATOM 1702 CA ILE A 114 -5.477 4.733 -0.016 1.00 0.00 C ATOM 1703 C ILE A 114 -6.994 4.661 -0.125 1.00 0.00 C ATOM 1704 O ILE A 114 -7.546 4.388 -1.191 1.00 0.00 O ATOM 1705 CB ILE A 114 -4.917 3.349 0.392 1.00 0.00 C ATOM 1706 CG1 ILE A 114 -3.384 3.343 0.300 1.00 0.00 C ATOM 1707 CG2 ILE A 114 -5.511 2.254 -0.483 1.00 0.00 C ATOM 1708 CD1 ILE A 114 -2.749 2.000 0.619 1.00 0.00 C ATOM 0 H ILE A 114 -4.500 5.463 1.695 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.040 4.993 -0.980 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.200 3.152 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.090 3.642 -0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.987 4.093 0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.106 1.288 -0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.595 2.245 -0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.258 2.444 -1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.665 2.080 0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.010 1.706 1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.115 1.249 -0.081 1.00 0.00 H new ATOM 1720 N ARG A 115 -7.658 4.914 0.999 1.00 0.00 N ATOM 1721 CA ARG A 115 -9.112 4.909 1.057 1.00 0.00 C ATOM 1722 C ARG A 115 -9.675 6.187 0.442 1.00 0.00 C ATOM 1723 O ARG A 115 -10.777 6.197 -0.100 1.00 0.00 O ATOM 1724 CB ARG A 115 -9.580 4.781 2.508 1.00 0.00 C ATOM 1725 CG ARG A 115 -9.386 3.393 3.093 1.00 0.00 C ATOM 1726 CD ARG A 115 -9.948 3.299 4.502 1.00 0.00 C ATOM 1727 NE ARG A 115 -9.775 1.966 5.073 1.00 0.00 N ATOM 1728 CZ ARG A 115 -10.546 1.473 6.039 1.00 0.00 C ATOM 1729 NH1 ARG A 115 -11.536 2.199 6.539 1.00 0.00 N ATOM 1730 NH2 ARG A 115 -10.324 0.251 6.505 1.00 0.00 N ATOM 0 H ARG A 115 -7.205 5.127 1.888 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.478 4.055 0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.038 5.502 3.120 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.636 5.045 2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.875 2.657 2.455 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.324 3.148 3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -9.454 4.033 5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.008 3.552 4.487 1.00 0.00 H new ATOM 0 HE ARG A 115 -9.022 1.381 4.711 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -11.709 3.139 6.183 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -12.125 1.817 7.279 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -9.563 -0.310 6.123 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -10.915 -0.128 7.245 1.00 0.00 H new ATOM 1744 N GLU A 116 -8.899 7.264 0.533 1.00 0.00 N ATOM 1745 CA GLU A 116 -9.307 8.558 -0.003 1.00 0.00 C ATOM 1746 C GLU A 116 -9.574 8.483 -1.506 1.00 0.00 C ATOM 1747 O GLU A 116 -10.259 9.340 -2.064 1.00 0.00 O ATOM 1748 CB GLU A 116 -8.235 9.611 0.293 1.00 0.00 C ATOM 1749 CG GLU A 116 -8.350 10.230 1.676 1.00 0.00 C ATOM 1750 CD GLU A 116 -7.363 11.360 1.893 1.00 0.00 C ATOM 1751 OE1 GLU A 116 -6.206 11.075 2.266 1.00 0.00 O ATOM 1752 OE2 GLU A 116 -7.748 12.531 1.691 1.00 0.00 O ATOM 0 H GLU A 116 -7.980 7.265 0.975 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.238 8.845 0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.251 9.153 0.190 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.299 10.401 -0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.363 10.605 1.819 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.186 9.460 2.430 1.00 0.00 H new ATOM 1759 N ILE A 117 -9.027 7.461 -2.158 1.00 0.00 N ATOM 1760 CA ILE A 117 -9.214 7.286 -3.593 1.00 0.00 C ATOM 1761 C ILE A 117 -10.423 6.405 -3.903 1.00 0.00 C ATOM 1762 O ILE A 117 -11.216 6.720 -4.791 1.00 0.00 O ATOM 1763 CB ILE A 117 -7.961 6.674 -4.253 1.00 0.00 C ATOM 1764 CG1 ILE A 117 -6.828 7.700 -4.300 1.00 0.00 C ATOM 1765 CG2 ILE A 117 -8.281 6.172 -5.655 1.00 0.00 C ATOM 1766 CD1 ILE A 117 -6.161 7.940 -2.964 1.00 0.00 C ATOM 0 H ILE A 117 -8.452 6.744 -1.716 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.388 8.280 -4.005 1.00 0.00 H new ATOM 0 HB ILE A 117 -7.637 5.825 -3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.077 7.364 -5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.223 8.645 -4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.384 5.744 -6.102 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -9.058 5.409 -5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -8.631 7.003 -6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -5.369 8.680 -3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -6.898 8.307 -2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.735 7.006 -2.597 1.00 0.00 H new ATOM 1778 N THR A 118 -10.564 5.304 -3.168 1.00 0.00 N ATOM 1779 CA THR A 118 -11.675 4.381 -3.392 1.00 0.00 C ATOM 1780 C THR A 118 -12.795 4.575 -2.374 1.00 0.00 C ATOM 1781 O THR A 118 -13.929 4.885 -2.740 1.00 0.00 O ATOM 1782 CB THR A 118 -11.204 2.913 -3.356 1.00 0.00 C ATOM 1783 OG1 THR A 118 -12.321 2.044 -3.138 1.00 0.00 O ATOM 1784 CG2 THR A 118 -10.163 2.697 -2.267 1.00 0.00 C ATOM 0 H THR A 118 -9.929 5.030 -2.418 1.00 0.00 H new ATOM 0 HA THR A 118 -12.065 4.608 -4.384 1.00 0.00 H new ATOM 0 HB THR A 118 -10.747 2.682 -4.318 1.00 0.00 H new ATOM 0 HG1 THR A 118 -12.130 1.163 -3.522 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.849 1.653 -2.265 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.300 3.335 -2.457 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.593 2.948 -1.297 1.00 0.00 H new ATOM 1792 N TRP A 119 -12.474 4.391 -1.098 1.00 0.00 N ATOM 1793 CA TRP A 119 -13.457 4.540 -0.029 1.00 0.00 C ATOM 1794 C TRP A 119 -14.125 5.913 -0.075 1.00 0.00 C ATOM 1795 O TRP A 119 -15.271 6.070 0.347 1.00 0.00 O ATOM 1796 CB TRP A 119 -12.789 4.324 1.330 1.00 0.00 C ATOM 1797 CG TRP A 119 -13.712 4.519 2.493 1.00 0.00 C ATOM 1798 CD1 TRP A 119 -13.719 5.570 3.364 1.00 0.00 C ATOM 1799 CD2 TRP A 119 -14.762 3.640 2.913 1.00 0.00 C ATOM 1800 NE1 TRP A 119 -14.707 5.397 4.302 1.00 0.00 N ATOM 1801 CE2 TRP A 119 -15.362 4.221 4.046 1.00 0.00 C ATOM 1802 CE3 TRP A 119 -15.252 2.419 2.442 1.00 0.00 C ATOM 1803 CZ2 TRP A 119 -16.428 3.622 4.713 1.00 0.00 C ATOM 1804 CZ3 TRP A 119 -16.310 1.826 3.105 1.00 0.00 C ATOM 1805 CH2 TRP A 119 -16.888 2.427 4.230 1.00 0.00 C ATOM 0 H TRP A 119 -11.539 4.138 -0.778 1.00 0.00 H new ATOM 0 HA TRP A 119 -14.231 3.786 -0.174 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.380 3.314 1.367 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -11.949 5.012 1.425 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.046 6.414 3.322 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -14.919 6.040 5.065 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -14.812 1.947 1.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -16.876 4.084 5.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -16.698 0.883 2.749 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -17.713 1.938 4.726 1.00 0.00 H new