USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=14 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 40:sc= 0.00966 USER MOD Set 1.2: A 31 HIS : no HD1:sc= -0.0624 K(o=-0.053,f=-5.4!) USER MOD Single : A 14 GLN : amide:sc= 0.00824 K(o=0.0082,f=-0.96) USER MOD Single : A 15 GLN : amide:sc= -1.76! K(o=-1.8!,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -109:sc= -0.258 (180deg=-3.18!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.767 K(o=-0.77,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= -1.11 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 18:sc= 0.498 USER MOD Single : A 43 SER OG : rot 149:sc= -1.49! USER MOD Single : A 67 ASN : amide:sc= -3.13! K(o=-3.1!,f=-0.31) USER MOD Single : A 68 THR OG1 : rot 130:sc= -1.49 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.07 K(o=-1.1,f=-3.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.838 K(o=-0.84,f=-0.14) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 101 THR OG1 : rot 123:sc= 0.256 USER MOD Single : A 112 GLN : amide:sc= -5.09! K(o=-5.1!,f=-3.8) USER MOD Single : A 113 SER OG : rot 81:sc= 0.987 USER MOD Single : A 118 THR OG1 : rot -119:sc= -0.293 USER MOD ----------------------------------------------------------------- ATOM 112 N GLN A 14 0.810 11.988 -0.841 1.00 0.00 N ATOM 113 CA GLN A 14 1.361 11.229 0.269 1.00 0.00 C ATOM 114 C GLN A 14 2.468 10.301 -0.220 1.00 0.00 C ATOM 115 O GLN A 14 2.200 9.282 -0.858 1.00 0.00 O ATOM 116 CB GLN A 14 0.252 10.424 0.948 1.00 0.00 C ATOM 117 CG GLN A 14 0.766 9.403 1.944 1.00 0.00 C ATOM 118 CD GLN A 14 1.408 10.042 3.161 1.00 0.00 C ATOM 119 OE1 GLN A 14 1.047 11.150 3.557 1.00 0.00 O ATOM 120 NE2 GLN A 14 2.363 9.342 3.763 1.00 0.00 N ATOM 0 HA GLN A 14 1.789 11.922 0.993 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.423 11.110 1.460 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.333 9.912 0.184 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.060 8.768 2.265 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.493 8.756 1.453 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.630 8.427 3.400 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.829 9.719 4.588 1.00 0.00 H new ATOM 129 N GLN A 15 3.711 10.661 0.080 1.00 0.00 N ATOM 130 CA GLN A 15 4.860 9.865 -0.340 1.00 0.00 C ATOM 131 C GLN A 15 5.712 9.455 0.857 1.00 0.00 C ATOM 132 O GLN A 15 5.876 10.220 1.808 1.00 0.00 O ATOM 133 CB GLN A 15 5.711 10.650 -1.338 1.00 0.00 C ATOM 134 CG GLN A 15 4.941 11.113 -2.564 1.00 0.00 C ATOM 135 CD GLN A 15 5.794 11.927 -3.517 1.00 0.00 C ATOM 136 OE1 GLN A 15 5.871 13.150 -3.408 1.00 0.00 O ATOM 137 NE2 GLN A 15 6.442 11.249 -4.458 1.00 0.00 N ATOM 0 H GLN A 15 3.949 11.498 0.612 1.00 0.00 H new ATOM 0 HA GLN A 15 4.485 8.961 -0.820 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.135 11.520 -0.836 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.547 10.028 -1.658 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.545 10.244 -3.089 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.086 11.710 -2.247 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.349 10.235 -4.511 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.033 11.743 -5.127 1.00 0.00 H new ATOM 146 N GLY A 16 6.251 8.241 0.801 1.00 0.00 N ATOM 147 CA GLY A 16 7.085 7.745 1.881 1.00 0.00 C ATOM 148 C GLY A 16 7.428 6.277 1.717 1.00 0.00 C ATOM 149 O GLY A 16 7.720 5.820 0.610 1.00 0.00 O ATOM 0 H GLY A 16 6.125 7.591 0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.005 8.328 1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.571 7.892 2.831 1.00 0.00 H new ATOM 153 N GLU A 17 7.387 5.533 2.818 1.00 0.00 N ATOM 154 CA GLU A 17 7.700 4.110 2.788 1.00 0.00 C ATOM 155 C GLU A 17 6.564 3.282 3.379 1.00 0.00 C ATOM 156 O GLU A 17 5.898 3.707 4.324 1.00 0.00 O ATOM 157 CB GLU A 17 8.997 3.838 3.554 1.00 0.00 C ATOM 158 CG GLU A 17 10.185 4.630 3.033 1.00 0.00 C ATOM 159 CD GLU A 17 11.460 4.346 3.803 1.00 0.00 C ATOM 160 OE1 GLU A 17 11.649 4.945 4.881 1.00 0.00 O ATOM 161 OE2 GLU A 17 12.268 3.520 3.327 1.00 0.00 O ATOM 0 H GLU A 17 7.140 5.892 3.740 1.00 0.00 H new ATOM 0 HA GLU A 17 7.829 3.817 1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.845 4.076 4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.227 2.774 3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.341 4.394 1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.960 5.695 3.091 1.00 0.00 H new ATOM 168 N LEU A 18 6.350 2.096 2.815 1.00 0.00 N ATOM 169 CA LEU A 18 5.296 1.202 3.282 1.00 0.00 C ATOM 170 C LEU A 18 5.756 -0.253 3.224 1.00 0.00 C ATOM 171 O LEU A 18 6.768 -0.567 2.598 1.00 0.00 O ATOM 172 CB LEU A 18 4.031 1.383 2.440 1.00 0.00 C ATOM 173 CG LEU A 18 2.800 1.869 3.209 1.00 0.00 C ATOM 174 CD1 LEU A 18 1.626 2.070 2.262 1.00 0.00 C ATOM 175 CD2 LEU A 18 2.433 0.888 4.312 1.00 0.00 C ATOM 0 H LEU A 18 6.894 1.732 2.033 1.00 0.00 H new ATOM 0 HA LEU A 18 5.071 1.455 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.244 2.093 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.791 0.432 1.965 1.00 0.00 H new ATOM 0 HG LEU A 18 3.041 2.827 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.759 2.416 2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.889 2.813 1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.388 1.126 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.556 1.253 4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.213 -0.086 3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.267 0.793 5.007 1.00 0.00 H new ATOM 187 N TYR A 19 5.006 -1.135 3.879 1.00 0.00 N ATOM 188 CA TYR A 19 5.338 -2.554 3.900 1.00 0.00 C ATOM 189 C TYR A 19 4.248 -3.377 3.223 1.00 0.00 C ATOM 190 O TYR A 19 3.057 -3.137 3.423 1.00 0.00 O ATOM 191 CB TYR A 19 5.535 -3.030 5.340 1.00 0.00 C ATOM 192 CG TYR A 19 6.691 -2.359 6.047 1.00 0.00 C ATOM 193 CD1 TYR A 19 6.592 -1.045 6.486 1.00 0.00 C ATOM 194 CD2 TYR A 19 7.878 -3.040 6.276 1.00 0.00 C ATOM 195 CE1 TYR A 19 7.646 -0.428 7.132 1.00 0.00 C ATOM 196 CE2 TYR A 19 8.937 -2.431 6.923 1.00 0.00 C ATOM 197 CZ TYR A 19 8.815 -1.124 7.348 1.00 0.00 C ATOM 198 OH TYR A 19 9.867 -0.515 7.993 1.00 0.00 O ATOM 0 H TYR A 19 4.165 -0.891 4.402 1.00 0.00 H new ATOM 0 HA TYR A 19 6.268 -2.694 3.348 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.620 -2.846 5.903 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.697 -4.108 5.338 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.676 -0.497 6.320 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.976 -4.063 5.943 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.554 0.595 7.466 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.854 -2.975 7.095 1.00 0.00 H new ATOM 0 HH TYR A 19 10.615 -1.144 8.065 1.00 0.00 H new ATOM 208 N MET A 20 4.667 -4.349 2.422 1.00 0.00 N ATOM 209 CA MET A 20 3.735 -5.215 1.709 1.00 0.00 C ATOM 210 C MET A 20 4.105 -6.681 1.900 1.00 0.00 C ATOM 211 O MET A 20 5.265 -7.065 1.741 1.00 0.00 O ATOM 212 CB MET A 20 3.718 -4.859 0.222 1.00 0.00 C ATOM 213 CG MET A 20 3.016 -3.543 -0.078 1.00 0.00 C ATOM 214 SD MET A 20 3.315 -2.964 -1.759 1.00 0.00 S ATOM 215 CE MET A 20 2.595 -4.301 -2.711 1.00 0.00 C ATOM 0 H MET A 20 5.650 -4.558 2.249 1.00 0.00 H new ATOM 0 HA MET A 20 2.737 -5.060 2.120 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.744 -4.806 -0.143 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.224 -5.659 -0.330 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.944 -3.665 0.075 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.355 -2.786 0.629 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.388 -4.873 -3.193 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.027 -4.955 -2.049 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.931 -3.890 -3.471 1.00 0.00 H new ATOM 225 N TRP A 21 3.112 -7.495 2.244 1.00 0.00 N ATOM 226 CA TRP A 21 3.328 -8.921 2.468 1.00 0.00 C ATOM 227 C TRP A 21 3.905 -9.600 1.232 1.00 0.00 C ATOM 228 O TRP A 21 3.216 -9.769 0.225 1.00 0.00 O ATOM 229 CB TRP A 21 2.015 -9.602 2.866 1.00 0.00 C ATOM 230 CG TRP A 21 2.096 -11.101 2.889 1.00 0.00 C ATOM 231 CD1 TRP A 21 1.354 -11.977 2.146 1.00 0.00 C ATOM 232 CD2 TRP A 21 2.972 -11.902 3.693 1.00 0.00 C ATOM 233 NE1 TRP A 21 1.713 -13.271 2.444 1.00 0.00 N ATOM 234 CE2 TRP A 21 2.699 -13.248 3.390 1.00 0.00 C ATOM 235 CE3 TRP A 21 3.958 -11.614 4.641 1.00 0.00 C ATOM 236 CZ2 TRP A 21 3.371 -14.299 3.999 1.00 0.00 C ATOM 237 CZ3 TRP A 21 4.627 -12.665 5.241 1.00 0.00 C ATOM 238 CH2 TRP A 21 4.330 -13.991 4.918 1.00 0.00 C ATOM 0 H TRP A 21 2.147 -7.191 2.374 1.00 0.00 H new ATOM 0 HA TRP A 21 4.049 -9.021 3.279 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.717 -9.248 3.853 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.233 -9.300 2.169 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.597 -11.694 1.430 1.00 0.00 H new ATOM 0 HE1 TRP A 21 1.310 -14.110 2.027 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.192 -10.592 4.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.142 -15.325 3.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 5.393 -12.457 5.973 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.871 -14.788 5.406 1.00 0.00 H new ATOM 249 N ASP A 22 5.172 -9.987 1.316 1.00 0.00 N ATOM 250 CA ASP A 22 5.832 -10.670 0.215 1.00 0.00 C ATOM 251 C ASP A 22 5.438 -12.141 0.225 1.00 0.00 C ATOM 252 O ASP A 22 5.962 -12.924 1.017 1.00 0.00 O ATOM 253 CB ASP A 22 7.351 -10.524 0.324 1.00 0.00 C ATOM 254 CG ASP A 22 8.068 -10.961 -0.938 1.00 0.00 C ATOM 255 OD1 ASP A 22 7.882 -10.304 -1.983 1.00 0.00 O ATOM 256 OD2 ASP A 22 8.819 -11.957 -0.879 1.00 0.00 O ATOM 0 H ASP A 22 5.761 -9.839 2.135 1.00 0.00 H new ATOM 0 HA ASP A 22 5.516 -10.219 -0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.598 -9.484 0.537 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.710 -11.116 1.166 1.00 0.00 H new ATOM 261 N SER A 23 4.501 -12.502 -0.651 1.00 0.00 N ATOM 262 CA SER A 23 4.007 -13.873 -0.736 1.00 0.00 C ATOM 263 C SER A 23 5.022 -14.804 -1.390 1.00 0.00 C ATOM 264 O SER A 23 4.753 -15.990 -1.576 1.00 0.00 O ATOM 265 CB SER A 23 2.692 -13.912 -1.517 1.00 0.00 C ATOM 266 OG SER A 23 2.863 -13.408 -2.831 1.00 0.00 O ATOM 0 H SER A 23 4.068 -11.859 -1.314 1.00 0.00 H new ATOM 0 HA SER A 23 3.840 -14.223 0.283 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.323 -14.937 -1.562 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.937 -13.324 -0.994 1.00 0.00 H new ATOM 0 HG SER A 23 2.009 -13.445 -3.309 1.00 0.00 H new ATOM 272 N ILE A 24 6.183 -14.269 -1.742 1.00 0.00 N ATOM 273 CA ILE A 24 7.225 -15.073 -2.366 1.00 0.00 C ATOM 274 C ILE A 24 8.130 -15.688 -1.308 1.00 0.00 C ATOM 275 O ILE A 24 8.229 -16.909 -1.191 1.00 0.00 O ATOM 276 CB ILE A 24 8.074 -14.242 -3.347 1.00 0.00 C ATOM 277 CG1 ILE A 24 7.180 -13.571 -4.396 1.00 0.00 C ATOM 278 CG2 ILE A 24 9.126 -15.115 -4.017 1.00 0.00 C ATOM 279 CD1 ILE A 24 6.391 -14.548 -5.243 1.00 0.00 C ATOM 0 H ILE A 24 6.426 -13.288 -1.607 1.00 0.00 H new ATOM 0 HA ILE A 24 6.729 -15.865 -2.927 1.00 0.00 H new ATOM 0 HB ILE A 24 8.586 -13.462 -2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.486 -12.899 -3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.800 -12.957 -5.049 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.715 -14.510 -4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.781 -15.543 -3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.636 -15.918 -4.567 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.783 -13.998 -5.961 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.078 -15.204 -5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.743 -15.145 -4.601 1.00 0.00 H new ATOM 291 N ASP A 25 8.790 -14.831 -0.540 1.00 0.00 N ATOM 292 CA ASP A 25 9.677 -15.280 0.524 1.00 0.00 C ATOM 293 C ASP A 25 8.925 -15.334 1.845 1.00 0.00 C ATOM 294 O ASP A 25 9.453 -15.801 2.856 1.00 0.00 O ATOM 295 CB ASP A 25 10.881 -14.344 0.645 1.00 0.00 C ATOM 296 CG ASP A 25 11.815 -14.444 -0.543 1.00 0.00 C ATOM 297 OD1 ASP A 25 11.549 -13.779 -1.566 1.00 0.00 O ATOM 298 OD2 ASP A 25 12.812 -15.191 -0.453 1.00 0.00 O ATOM 0 H ASP A 25 8.727 -13.817 -0.635 1.00 0.00 H new ATOM 0 HA ASP A 25 10.035 -16.280 0.279 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.530 -13.317 0.742 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.431 -14.580 1.556 1.00 0.00 H new ATOM 303 N GLN A 26 7.685 -14.849 1.828 1.00 0.00 N ATOM 304 CA GLN A 26 6.852 -14.830 3.014 1.00 0.00 C ATOM 305 C GLN A 26 7.525 -14.036 4.121 1.00 0.00 C ATOM 306 O GLN A 26 8.012 -14.595 5.105 1.00 0.00 O ATOM 307 CB GLN A 26 6.524 -16.250 3.474 1.00 0.00 C ATOM 308 CG GLN A 26 5.218 -16.768 2.894 1.00 0.00 C ATOM 309 CD GLN A 26 5.367 -17.373 1.516 1.00 0.00 C ATOM 310 OE1 GLN A 26 6.407 -17.936 1.175 1.00 0.00 O ATOM 311 NE2 GLN A 26 4.314 -17.252 0.714 1.00 0.00 N ATOM 0 H GLN A 26 7.239 -14.463 0.996 1.00 0.00 H new ATOM 0 HA GLN A 26 5.911 -14.338 2.766 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.335 -16.918 3.184 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.467 -16.271 4.562 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.802 -17.517 3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.501 -15.949 2.847 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.474 -16.776 1.043 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.346 -17.635 -0.231 1.00 0.00 H new ATOM 320 N LYS A 27 7.550 -12.719 3.939 1.00 0.00 N ATOM 321 CA LYS A 27 8.166 -11.819 4.909 1.00 0.00 C ATOM 322 C LYS A 27 7.835 -10.365 4.582 1.00 0.00 C ATOM 323 O LYS A 27 7.251 -10.072 3.539 1.00 0.00 O ATOM 324 CB LYS A 27 9.683 -12.022 4.926 1.00 0.00 C ATOM 325 CG LYS A 27 10.364 -11.647 3.621 1.00 0.00 C ATOM 326 CD LYS A 27 11.849 -11.969 3.655 1.00 0.00 C ATOM 327 CE LYS A 27 12.540 -11.551 2.368 1.00 0.00 C ATOM 328 NZ LYS A 27 13.993 -11.877 2.384 1.00 0.00 N ATOM 0 H LYS A 27 7.150 -12.250 3.126 1.00 0.00 H new ATOM 0 HA LYS A 27 7.765 -12.050 5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.111 -11.427 5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.898 -13.067 5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.893 -12.183 2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.226 -10.583 3.430 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.313 -11.460 4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.987 -13.039 3.812 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.066 -12.050 1.523 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.410 -10.479 2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.426 -11.575 1.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.451 -11.381 3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.117 -12.903 2.501 1.00 0.00 H new ATOM 342 N TRP A 28 8.213 -9.459 5.479 1.00 0.00 N ATOM 343 CA TRP A 28 7.956 -8.035 5.282 1.00 0.00 C ATOM 344 C TRP A 28 9.242 -7.289 4.942 1.00 0.00 C ATOM 345 O TRP A 28 10.229 -7.365 5.674 1.00 0.00 O ATOM 346 CB TRP A 28 7.321 -7.429 6.535 1.00 0.00 C ATOM 347 CG TRP A 28 5.949 -7.956 6.822 1.00 0.00 C ATOM 348 CD1 TRP A 28 5.627 -8.999 7.641 1.00 0.00 C ATOM 349 CD2 TRP A 28 4.713 -7.466 6.289 1.00 0.00 C ATOM 350 NE1 TRP A 28 4.266 -9.188 7.652 1.00 0.00 N ATOM 351 CE2 TRP A 28 3.683 -8.261 6.827 1.00 0.00 C ATOM 352 CE3 TRP A 28 4.375 -6.433 5.408 1.00 0.00 C ATOM 353 CZ2 TRP A 28 2.342 -8.055 6.516 1.00 0.00 C ATOM 354 CZ3 TRP A 28 3.043 -6.230 5.100 1.00 0.00 C ATOM 355 CH2 TRP A 28 2.042 -7.038 5.652 1.00 0.00 C ATOM 0 H TRP A 28 8.697 -9.684 6.348 1.00 0.00 H new ATOM 0 HA TRP A 28 7.265 -7.932 4.446 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.965 -7.628 7.392 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.269 -6.346 6.420 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.338 -9.590 8.199 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.770 -9.901 8.187 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.141 -5.806 4.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.567 -8.675 6.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.770 -5.435 4.422 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.010 -6.854 5.390 1.00 0.00 H new ATOM 366 N THR A 29 9.221 -6.567 3.826 1.00 0.00 N ATOM 367 CA THR A 29 10.383 -5.801 3.389 1.00 0.00 C ATOM 368 C THR A 29 10.073 -4.308 3.363 1.00 0.00 C ATOM 369 O THR A 29 8.918 -3.902 3.485 1.00 0.00 O ATOM 370 CB THR A 29 10.855 -6.239 1.991 1.00 0.00 C ATOM 371 OG1 THR A 29 9.821 -6.009 1.028 1.00 0.00 O ATOM 372 CG2 THR A 29 11.236 -7.711 1.983 1.00 0.00 C ATOM 0 H THR A 29 8.413 -6.496 3.208 1.00 0.00 H new ATOM 0 HA THR A 29 11.179 -5.995 4.108 1.00 0.00 H new ATOM 0 HB THR A 29 11.734 -5.649 1.731 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.383 -5.153 1.217 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.566 -7.996 0.984 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.044 -7.882 2.695 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.371 -8.312 2.265 1.00 0.00 H new ATOM 380 N ARG A 30 11.112 -3.495 3.200 1.00 0.00 N ATOM 381 CA ARG A 30 10.950 -2.046 3.161 1.00 0.00 C ATOM 382 C ARG A 30 10.738 -1.557 1.731 1.00 0.00 C ATOM 383 O ARG A 30 11.575 -1.785 0.856 1.00 0.00 O ATOM 384 CB ARG A 30 12.177 -1.363 3.770 1.00 0.00 C ATOM 385 CG ARG A 30 12.058 0.150 3.850 1.00 0.00 C ATOM 386 CD ARG A 30 13.292 0.773 4.481 1.00 0.00 C ATOM 387 NE ARG A 30 13.531 0.269 5.831 1.00 0.00 N ATOM 388 CZ ARG A 30 14.493 0.723 6.629 1.00 0.00 C ATOM 389 NH1 ARG A 30 15.302 1.690 6.215 1.00 0.00 N ATOM 390 NH2 ARG A 30 14.648 0.211 7.842 1.00 0.00 N ATOM 0 H ARG A 30 12.075 -3.815 3.093 1.00 0.00 H new ATOM 0 HA ARG A 30 10.067 -1.787 3.746 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.342 -1.759 4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 30 13.055 -1.619 3.177 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.914 0.558 2.850 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.176 0.416 4.433 1.00 0.00 H new ATOM 0 HD2 ARG A 30 14.162 0.566 3.858 1.00 0.00 H new ATOM 0 HD3 ARG A 30 13.174 1.856 4.514 1.00 0.00 H new ATOM 0 HE ARG A 30 12.926 -0.473 6.182 1.00 0.00 H new ATOM 0 HH11 ARG A 30 15.187 2.087 5.283 1.00 0.00 H new ATOM 0 HH12 ARG A 30 16.039 2.036 6.829 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.029 -0.533 8.165 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.387 0.561 8.453 1.00 0.00 H new ATOM 404 N HIS A 31 9.613 -0.886 1.500 1.00 0.00 N ATOM 405 CA HIS A 31 9.290 -0.362 0.177 1.00 0.00 C ATOM 406 C HIS A 31 9.125 1.154 0.214 1.00 0.00 C ATOM 407 O HIS A 31 8.854 1.734 1.264 1.00 0.00 O ATOM 408 CB HIS A 31 7.998 -0.993 -0.349 1.00 0.00 C ATOM 409 CG HIS A 31 7.996 -2.488 -0.332 1.00 0.00 C ATOM 410 ND1 HIS A 31 8.330 -3.256 -1.428 1.00 0.00 N ATOM 411 CD2 HIS A 31 7.676 -3.362 0.653 1.00 0.00 C ATOM 412 CE1 HIS A 31 8.215 -4.535 -1.119 1.00 0.00 C ATOM 413 NE2 HIS A 31 7.820 -4.625 0.137 1.00 0.00 N ATOM 0 H HIS A 31 8.909 -0.692 2.213 1.00 0.00 H new ATOM 0 HA HIS A 31 10.117 -0.614 -0.487 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.161 -0.633 0.249 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.830 -0.652 -1.371 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.366 -3.111 1.657 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.411 -5.365 -1.781 1.00 0.00 H new ATOM 0 HE2 HIS A 31 7.649 -5.494 0.643 1.00 0.00 H new ATOM 422 N TYR A 32 9.293 1.786 -0.942 1.00 0.00 N ATOM 423 CA TYR A 32 9.143 3.232 -1.057 1.00 0.00 C ATOM 424 C TYR A 32 7.952 3.555 -1.952 1.00 0.00 C ATOM 425 O TYR A 32 8.057 3.523 -3.179 1.00 0.00 O ATOM 426 CB TYR A 32 10.418 3.865 -1.619 1.00 0.00 C ATOM 427 CG TYR A 32 10.375 5.376 -1.673 1.00 0.00 C ATOM 428 CD1 TYR A 32 10.676 6.139 -0.552 1.00 0.00 C ATOM 429 CD2 TYR A 32 10.036 6.038 -2.846 1.00 0.00 C ATOM 430 CE1 TYR A 32 10.639 7.519 -0.597 1.00 0.00 C ATOM 431 CE2 TYR A 32 9.997 7.420 -2.899 1.00 0.00 C ATOM 432 CZ TYR A 32 10.300 8.154 -1.773 1.00 0.00 C ATOM 433 OH TYR A 32 10.262 9.528 -1.822 1.00 0.00 O ATOM 0 H TYR A 32 9.534 1.318 -1.816 1.00 0.00 H new ATOM 0 HA TYR A 32 8.968 3.647 -0.064 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.266 3.556 -1.008 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.592 3.479 -2.624 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.943 5.645 0.370 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.799 5.465 -3.730 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.874 8.097 0.284 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.730 7.921 -3.818 1.00 0.00 H new ATOM 0 HH TYR A 32 10.007 9.816 -2.723 1.00 0.00 H new ATOM 443 N CYS A 33 6.818 3.862 -1.332 1.00 0.00 N ATOM 444 CA CYS A 33 5.598 4.164 -2.073 1.00 0.00 C ATOM 445 C CYS A 33 5.428 5.662 -2.300 1.00 0.00 C ATOM 446 O CYS A 33 6.116 6.480 -1.691 1.00 0.00 O ATOM 447 CB CYS A 33 4.381 3.612 -1.328 1.00 0.00 C ATOM 448 SG CYS A 33 4.419 1.823 -1.072 1.00 0.00 S ATOM 0 H CYS A 33 6.718 3.908 -0.318 1.00 0.00 H new ATOM 0 HA CYS A 33 5.680 3.685 -3.049 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.308 4.105 -0.359 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.480 3.869 -1.885 1.00 0.00 H new ATOM 0 HG CYS A 33 3.349 1.453 -0.432 1.00 0.00 H new ATOM 454 N ALA A 34 4.499 6.004 -3.188 1.00 0.00 N ATOM 455 CA ALA A 34 4.210 7.395 -3.515 1.00 0.00 C ATOM 456 C ALA A 34 2.907 7.499 -4.301 1.00 0.00 C ATOM 457 O ALA A 34 2.796 6.966 -5.405 1.00 0.00 O ATOM 458 CB ALA A 34 5.358 8.005 -4.306 1.00 0.00 C ATOM 0 H ALA A 34 3.929 5.329 -3.698 1.00 0.00 H new ATOM 0 HA ALA A 34 4.097 7.952 -2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.126 9.044 -4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.271 7.963 -3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.500 7.446 -5.231 1.00 0.00 H new ATOM 464 N ILE A 35 1.925 8.187 -3.728 1.00 0.00 N ATOM 465 CA ILE A 35 0.628 8.348 -4.379 1.00 0.00 C ATOM 466 C ILE A 35 0.610 9.577 -5.282 1.00 0.00 C ATOM 467 O ILE A 35 1.032 10.662 -4.884 1.00 0.00 O ATOM 468 CB ILE A 35 -0.511 8.460 -3.346 1.00 0.00 C ATOM 469 CG1 ILE A 35 -0.555 7.208 -2.467 1.00 0.00 C ATOM 470 CG2 ILE A 35 -1.845 8.672 -4.047 1.00 0.00 C ATOM 471 CD1 ILE A 35 -1.561 7.289 -1.339 1.00 0.00 C ATOM 0 H ILE A 35 2.001 8.641 -2.818 1.00 0.00 H new ATOM 0 HA ILE A 35 0.468 7.457 -4.986 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.320 9.322 -2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.791 6.346 -3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.436 7.036 -2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.638 8.749 -3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.806 9.590 -4.633 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.047 7.829 -4.707 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.534 6.366 -0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.314 8.130 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.560 7.430 -1.752 1.00 0.00 H new ATOM 483 N ALA A 36 0.114 9.390 -6.501 1.00 0.00 N ATOM 484 CA ALA A 36 0.030 10.472 -7.473 1.00 0.00 C ATOM 485 C ALA A 36 -1.333 10.484 -8.155 1.00 0.00 C ATOM 486 O ALA A 36 -1.727 9.502 -8.783 1.00 0.00 O ATOM 487 CB ALA A 36 1.138 10.338 -8.508 1.00 0.00 C ATOM 0 H ALA A 36 -0.237 8.494 -6.839 1.00 0.00 H new ATOM 0 HA ALA A 36 0.155 11.417 -6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.064 11.153 -9.228 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.107 10.380 -8.011 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.038 9.385 -9.027 1.00 0.00 H new ATOM 493 N ASP A 37 -2.045 11.601 -8.023 1.00 0.00 N ATOM 494 CA ASP A 37 -3.370 11.753 -8.621 1.00 0.00 C ATOM 495 C ASP A 37 -4.376 10.799 -7.979 1.00 0.00 C ATOM 496 O ASP A 37 -5.152 11.198 -7.110 1.00 0.00 O ATOM 497 CB ASP A 37 -3.311 11.515 -10.133 1.00 0.00 C ATOM 498 CG ASP A 37 -2.363 12.470 -10.832 1.00 0.00 C ATOM 499 OD1 ASP A 37 -2.815 13.557 -11.247 1.00 0.00 O ATOM 500 OD2 ASP A 37 -1.169 12.129 -10.963 1.00 0.00 O ATOM 0 H ASP A 37 -1.724 12.419 -7.504 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.701 12.775 -8.439 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.996 10.489 -10.325 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.310 11.625 -10.555 1.00 0.00 H new ATOM 505 N ALA A 38 -4.356 9.540 -8.408 1.00 0.00 N ATOM 506 CA ALA A 38 -5.270 8.537 -7.870 1.00 0.00 C ATOM 507 C ALA A 38 -4.660 7.140 -7.936 1.00 0.00 C ATOM 508 O ALA A 38 -5.363 6.140 -7.787 1.00 0.00 O ATOM 509 CB ALA A 38 -6.591 8.569 -8.624 1.00 0.00 C ATOM 0 H ALA A 38 -3.719 9.191 -9.124 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.452 8.777 -6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.263 7.816 -8.212 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.044 9.555 -8.522 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.413 8.359 -9.679 1.00 0.00 H new ATOM 515 N LYS A 39 -3.351 7.075 -8.162 1.00 0.00 N ATOM 516 CA LYS A 39 -2.655 5.796 -8.248 1.00 0.00 C ATOM 517 C LYS A 39 -1.535 5.698 -7.220 1.00 0.00 C ATOM 518 O LYS A 39 -0.839 6.674 -6.945 1.00 0.00 O ATOM 519 CB LYS A 39 -2.080 5.599 -9.650 1.00 0.00 C ATOM 520 CG LYS A 39 -3.145 5.433 -10.719 1.00 0.00 C ATOM 521 CD LYS A 39 -2.557 4.924 -12.022 1.00 0.00 C ATOM 522 CE LYS A 39 -3.587 4.946 -13.138 1.00 0.00 C ATOM 523 NZ LYS A 39 -3.025 4.448 -14.424 1.00 0.00 N ATOM 0 H LYS A 39 -2.752 7.891 -8.289 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.382 5.012 -8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.453 6.455 -9.901 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.435 4.720 -9.650 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.908 4.738 -10.368 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.640 6.389 -10.892 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.701 5.538 -12.302 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.188 3.908 -11.885 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.442 4.333 -12.854 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.955 5.963 -13.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.760 4.479 -15.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.225 5.048 -14.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.697 3.468 -14.303 1.00 0.00 H new ATOM 537 N LEU A 40 -1.370 4.506 -6.657 1.00 0.00 N ATOM 538 CA LEU A 40 -0.323 4.261 -5.674 1.00 0.00 C ATOM 539 C LEU A 40 0.775 3.406 -6.294 1.00 0.00 C ATOM 540 O LEU A 40 0.540 2.261 -6.677 1.00 0.00 O ATOM 541 CB LEU A 40 -0.902 3.562 -4.440 1.00 0.00 C ATOM 542 CG LEU A 40 0.134 2.967 -3.483 1.00 0.00 C ATOM 543 CD1 LEU A 40 0.989 4.065 -2.868 1.00 0.00 C ATOM 544 CD2 LEU A 40 -0.549 2.151 -2.397 1.00 0.00 C ATOM 0 H LEU A 40 -1.950 3.693 -6.866 1.00 0.00 H new ATOM 0 HA LEU A 40 0.100 5.216 -5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.513 4.278 -3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.567 2.765 -4.772 1.00 0.00 H new ATOM 0 HG LEU A 40 0.785 2.304 -4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.719 3.621 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.509 4.607 -3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.352 4.755 -2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.203 1.736 -1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.225 2.792 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.115 1.339 -2.854 1.00 0.00 H new ATOM 556 N SER A 41 1.977 3.962 -6.386 1.00 0.00 N ATOM 557 CA SER A 41 3.098 3.245 -6.978 1.00 0.00 C ATOM 558 C SER A 41 4.154 2.898 -5.935 1.00 0.00 C ATOM 559 O SER A 41 4.701 3.780 -5.273 1.00 0.00 O ATOM 560 CB SER A 41 3.724 4.082 -8.095 1.00 0.00 C ATOM 561 OG SER A 41 4.368 5.232 -7.574 1.00 0.00 O ATOM 0 H SER A 41 2.199 4.903 -6.060 1.00 0.00 H new ATOM 0 HA SER A 41 2.716 2.312 -7.392 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.444 3.477 -8.646 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.952 4.384 -8.803 1.00 0.00 H new ATOM 0 HG SER A 41 4.527 5.111 -6.615 1.00 0.00 H new ATOM 567 N PHE A 42 4.432 1.605 -5.794 1.00 0.00 N ATOM 568 CA PHE A 42 5.430 1.139 -4.839 1.00 0.00 C ATOM 569 C PHE A 42 6.676 0.650 -5.569 1.00 0.00 C ATOM 570 O PHE A 42 6.582 -0.013 -6.602 1.00 0.00 O ATOM 571 CB PHE A 42 4.855 0.022 -3.962 1.00 0.00 C ATOM 572 CG PHE A 42 4.399 -1.185 -4.732 1.00 0.00 C ATOM 573 CD1 PHE A 42 3.122 -1.242 -5.265 1.00 0.00 C ATOM 574 CD2 PHE A 42 5.248 -2.266 -4.918 1.00 0.00 C ATOM 575 CE1 PHE A 42 2.699 -2.352 -5.970 1.00 0.00 C ATOM 576 CE2 PHE A 42 4.830 -3.379 -5.622 1.00 0.00 C ATOM 577 CZ PHE A 42 3.553 -3.422 -6.149 1.00 0.00 C ATOM 0 H PHE A 42 3.980 0.863 -6.329 1.00 0.00 H new ATOM 0 HA PHE A 42 5.708 1.975 -4.196 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.611 -0.285 -3.240 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.013 0.417 -3.393 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.449 -0.409 -5.128 1.00 0.00 H new ATOM 0 HD2 PHE A 42 6.247 -2.237 -4.508 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.701 -2.383 -6.381 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.500 -4.214 -5.760 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.224 -4.291 -6.700 1.00 0.00 H new ATOM 587 N SER A 43 7.845 0.985 -5.031 1.00 0.00 N ATOM 588 CA SER A 43 9.107 0.585 -5.642 1.00 0.00 C ATOM 589 C SER A 43 9.616 -0.728 -5.058 1.00 0.00 C ATOM 590 O SER A 43 9.165 -1.166 -3.999 1.00 0.00 O ATOM 591 CB SER A 43 10.159 1.679 -5.448 1.00 0.00 C ATOM 592 OG SER A 43 10.419 1.899 -4.073 1.00 0.00 O ATOM 0 H SER A 43 7.944 1.531 -4.175 1.00 0.00 H new ATOM 0 HA SER A 43 8.928 0.438 -6.707 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.081 1.395 -5.955 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.814 2.605 -5.909 1.00 0.00 H new ATOM 0 HG SER A 43 11.351 2.179 -3.957 1.00 0.00 H new ATOM 598 N ASP A 44 10.558 -1.349 -5.761 1.00 0.00 N ATOM 599 CA ASP A 44 11.142 -2.611 -5.320 1.00 0.00 C ATOM 600 C ASP A 44 12.057 -2.389 -4.120 1.00 0.00 C ATOM 601 O ASP A 44 12.420 -1.254 -3.812 1.00 0.00 O ATOM 602 CB ASP A 44 11.925 -3.259 -6.466 1.00 0.00 C ATOM 603 CG ASP A 44 12.450 -4.635 -6.106 1.00 0.00 C ATOM 604 OD1 ASP A 44 11.702 -5.620 -6.282 1.00 0.00 O ATOM 605 OD2 ASP A 44 13.608 -4.728 -5.649 1.00 0.00 O ATOM 0 H ASP A 44 10.934 -0.997 -6.641 1.00 0.00 H new ATOM 0 HA ASP A 44 10.334 -3.279 -5.020 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.282 -3.337 -7.343 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.761 -2.615 -6.740 1.00 0.00 H new ATOM 610 N ASP A 45 12.416 -3.479 -3.442 1.00 0.00 N ATOM 611 CA ASP A 45 13.291 -3.410 -2.275 1.00 0.00 C ATOM 612 C ASP A 45 14.443 -2.435 -2.506 1.00 0.00 C ATOM 613 O ASP A 45 15.289 -2.653 -3.374 1.00 0.00 O ATOM 614 CB ASP A 45 13.846 -4.797 -1.949 1.00 0.00 C ATOM 615 CG ASP A 45 12.754 -5.834 -1.786 1.00 0.00 C ATOM 616 OD1 ASP A 45 12.331 -6.418 -2.806 1.00 0.00 O ATOM 617 OD2 ASP A 45 12.319 -6.062 -0.638 1.00 0.00 O ATOM 0 H ASP A 45 12.112 -4.422 -3.683 1.00 0.00 H new ATOM 0 HA ASP A 45 12.699 -3.050 -1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.524 -5.110 -2.743 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.432 -4.744 -1.032 1.00 0.00 H new ATOM 622 N ILE A 46 14.467 -1.360 -1.725 1.00 0.00 N ATOM 623 CA ILE A 46 15.509 -0.347 -1.846 1.00 0.00 C ATOM 624 C ILE A 46 16.816 -0.818 -1.214 1.00 0.00 C ATOM 625 O ILE A 46 17.900 -0.448 -1.665 1.00 0.00 O ATOM 626 CB ILE A 46 15.081 0.980 -1.189 1.00 0.00 C ATOM 627 CG1 ILE A 46 14.738 0.758 0.288 1.00 0.00 C ATOM 628 CG2 ILE A 46 13.894 1.576 -1.933 1.00 0.00 C ATOM 629 CD1 ILE A 46 14.417 2.034 1.037 1.00 0.00 C ATOM 0 H ILE A 46 13.775 -1.168 -1.000 1.00 0.00 H new ATOM 0 HA ILE A 46 15.666 -0.183 -2.912 1.00 0.00 H new ATOM 0 HB ILE A 46 15.912 1.683 -1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.885 0.083 0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.577 0.262 0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.601 2.513 -1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 46 14.172 1.765 -2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.058 0.877 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 46 14.184 1.798 2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.277 2.703 1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 46 13.558 2.521 0.575 1.00 0.00 H new ATOM 641 N GLU A 47 16.706 -1.633 -0.170 1.00 0.00 N ATOM 642 CA GLU A 47 17.881 -2.151 0.522 1.00 0.00 C ATOM 643 C GLU A 47 17.785 -3.662 0.711 1.00 0.00 C ATOM 644 O GLU A 47 18.802 -4.354 0.779 1.00 0.00 O ATOM 645 CB GLU A 47 18.041 -1.465 1.881 1.00 0.00 C ATOM 646 CG GLU A 47 16.834 -1.630 2.790 1.00 0.00 C ATOM 647 CD GLU A 47 17.011 -0.936 4.125 1.00 0.00 C ATOM 648 OE1 GLU A 47 16.670 0.262 4.222 1.00 0.00 O ATOM 649 OE2 GLU A 47 17.492 -1.589 5.075 1.00 0.00 O ATOM 0 H GLU A 47 15.816 -1.949 0.215 1.00 0.00 H new ATOM 0 HA GLU A 47 18.755 -1.937 -0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.921 -1.869 2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.224 -0.402 1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.951 -1.231 2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.653 -2.692 2.958 1.00 0.00 H new ATOM 841 N ARG A 61 7.678 -0.436 -9.320 1.00 0.00 N ATOM 842 CA ARG A 61 7.584 -1.890 -9.257 1.00 0.00 C ATOM 843 C ARG A 61 6.137 -2.335 -9.439 1.00 0.00 C ATOM 844 O ARG A 61 5.866 -3.463 -9.852 1.00 0.00 O ATOM 845 CB ARG A 61 8.125 -2.397 -7.917 1.00 0.00 C ATOM 846 CG ARG A 61 8.138 -3.912 -7.794 1.00 0.00 C ATOM 847 CD ARG A 61 9.151 -4.543 -8.735 1.00 0.00 C ATOM 848 NE ARG A 61 9.162 -5.999 -8.635 1.00 0.00 N ATOM 849 CZ ARG A 61 10.077 -6.772 -9.211 1.00 0.00 C ATOM 850 NH1 ARG A 61 11.051 -6.229 -9.929 1.00 0.00 N ATOM 851 NH2 ARG A 61 10.018 -8.090 -9.072 1.00 0.00 N ATOM 0 HA ARG A 61 8.185 -2.313 -10.062 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.139 -2.022 -7.780 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.520 -1.982 -7.111 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.372 -4.192 -6.767 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.145 -4.304 -8.013 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.922 -4.252 -9.760 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.145 -4.157 -8.508 1.00 0.00 H new ATOM 0 HE ARG A 61 8.425 -6.449 -8.092 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.099 -5.216 -10.040 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.752 -6.824 -10.370 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.269 -8.512 -8.522 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.721 -8.682 -9.515 1.00 0.00 H new ATOM 865 N GLY A 62 5.214 -1.431 -9.126 1.00 0.00 N ATOM 866 CA GLY A 62 3.799 -1.725 -9.254 1.00 0.00 C ATOM 867 C GLY A 62 2.947 -0.497 -9.008 1.00 0.00 C ATOM 868 O GLY A 62 3.336 0.390 -8.251 1.00 0.00 O ATOM 0 H GLY A 62 5.424 -0.493 -8.784 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.597 -2.114 -10.252 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.524 -2.506 -8.546 1.00 0.00 H new ATOM 872 N ILE A 63 1.781 -0.442 -9.645 1.00 0.00 N ATOM 873 CA ILE A 63 0.886 0.699 -9.489 1.00 0.00 C ATOM 874 C ILE A 63 -0.568 0.261 -9.351 1.00 0.00 C ATOM 875 O ILE A 63 -1.097 -0.450 -10.206 1.00 0.00 O ATOM 876 CB ILE A 63 0.997 1.667 -10.684 1.00 0.00 C ATOM 877 CG1 ILE A 63 2.446 2.124 -10.870 1.00 0.00 C ATOM 878 CG2 ILE A 63 0.077 2.864 -10.482 1.00 0.00 C ATOM 879 CD1 ILE A 63 2.647 3.041 -12.058 1.00 0.00 C ATOM 0 H ILE A 63 1.436 -1.170 -10.271 1.00 0.00 H new ATOM 0 HA ILE A 63 1.195 1.208 -8.576 1.00 0.00 H new ATOM 0 HB ILE A 63 0.686 1.142 -11.587 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.775 2.637 -9.966 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.082 1.247 -10.988 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.166 3.539 -11.333 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.954 2.520 -10.397 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.360 3.391 -9.571 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.698 3.323 -12.126 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.350 2.524 -12.971 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.038 3.936 -11.934 1.00 0.00 H new ATOM 891 N LEU A 64 -1.208 0.692 -8.269 1.00 0.00 N ATOM 892 CA LEU A 64 -2.607 0.368 -8.029 1.00 0.00 C ATOM 893 C LEU A 64 -3.495 1.487 -8.557 1.00 0.00 C ATOM 894 O LEU A 64 -3.562 2.565 -7.968 1.00 0.00 O ATOM 895 CB LEU A 64 -2.876 0.162 -6.532 1.00 0.00 C ATOM 896 CG LEU A 64 -2.274 -1.104 -5.910 1.00 0.00 C ATOM 897 CD1 LEU A 64 -2.747 -2.345 -6.653 1.00 0.00 C ATOM 898 CD2 LEU A 64 -0.754 -1.031 -5.901 1.00 0.00 C ATOM 0 H LEU A 64 -0.778 1.267 -7.544 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.836 -0.561 -8.552 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.492 1.027 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.955 0.142 -6.376 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.618 -1.171 -4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.308 -3.232 -6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.834 -2.409 -6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.438 -2.284 -7.697 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.349 -1.939 -5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.388 -0.934 -6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.435 -0.167 -5.318 1.00 0.00 H new ATOM 910 N ASP A 65 -4.164 1.233 -9.677 1.00 0.00 N ATOM 911 CA ASP A 65 -5.046 2.227 -10.277 1.00 0.00 C ATOM 912 C ASP A 65 -6.068 2.728 -9.259 1.00 0.00 C ATOM 913 O ASP A 65 -6.578 3.842 -9.373 1.00 0.00 O ATOM 914 CB ASP A 65 -5.760 1.638 -11.495 1.00 0.00 C ATOM 915 CG ASP A 65 -6.563 0.399 -11.155 1.00 0.00 C ATOM 916 OD1 ASP A 65 -5.960 -0.689 -11.050 1.00 0.00 O ATOM 917 OD2 ASP A 65 -7.795 0.517 -10.996 1.00 0.00 O ATOM 0 H ASP A 65 -4.112 0.350 -10.186 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.438 3.072 -10.600 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.423 2.390 -11.922 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.023 1.391 -12.259 1.00 0.00 H new ATOM 922 N LEU A 66 -6.358 1.892 -8.263 1.00 0.00 N ATOM 923 CA LEU A 66 -7.315 2.236 -7.213 1.00 0.00 C ATOM 924 C LEU A 66 -8.714 2.455 -7.783 1.00 0.00 C ATOM 925 O LEU A 66 -9.632 2.845 -7.063 1.00 0.00 O ATOM 926 CB LEU A 66 -6.856 3.482 -6.452 1.00 0.00 C ATOM 927 CG LEU A 66 -5.574 3.311 -5.630 1.00 0.00 C ATOM 928 CD1 LEU A 66 -5.159 4.636 -5.010 1.00 0.00 C ATOM 929 CD2 LEU A 66 -5.763 2.254 -4.553 1.00 0.00 C ATOM 0 H LEU A 66 -5.941 0.967 -8.161 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.359 1.395 -6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.704 4.290 -7.168 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.658 3.795 -5.783 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.780 2.979 -6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.247 4.496 -4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.979 5.366 -5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.953 4.996 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.841 2.148 -3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.571 2.554 -3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.012 1.301 -5.019 1.00 0.00 H new ATOM 941 N ASN A 67 -8.873 2.204 -9.079 1.00 0.00 N ATOM 942 CA ASN A 67 -10.165 2.365 -9.735 1.00 0.00 C ATOM 943 C ASN A 67 -10.969 1.071 -9.668 1.00 0.00 C ATOM 944 O ASN A 67 -12.122 1.022 -10.096 1.00 0.00 O ATOM 945 CB ASN A 67 -9.982 2.789 -11.195 1.00 0.00 C ATOM 946 CG ASN A 67 -9.440 4.198 -11.329 1.00 0.00 C ATOM 947 OD1 ASN A 67 -10.197 5.169 -11.338 1.00 0.00 O ATOM 948 ND2 ASN A 67 -8.123 4.317 -11.442 1.00 0.00 N ATOM 0 H ASN A 67 -8.123 1.889 -9.695 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.713 3.146 -9.209 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.303 2.094 -11.689 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.939 2.721 -11.712 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.701 5.240 -11.541 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.533 3.485 -11.430 1.00 0.00 H new ATOM 955 N THR A 68 -10.351 0.023 -9.128 1.00 0.00 N ATOM 956 CA THR A 68 -11.010 -1.272 -9.006 1.00 0.00 C ATOM 957 C THR A 68 -10.431 -2.085 -7.848 1.00 0.00 C ATOM 958 O THR A 68 -9.839 -3.146 -8.051 1.00 0.00 O ATOM 959 CB THR A 68 -10.901 -2.085 -10.313 1.00 0.00 C ATOM 960 OG1 THR A 68 -11.443 -3.396 -10.124 1.00 0.00 O ATOM 961 CG2 THR A 68 -9.455 -2.191 -10.772 1.00 0.00 C ATOM 0 H THR A 68 -9.397 0.047 -8.769 1.00 0.00 H new ATOM 0 HA THR A 68 -12.062 -1.073 -8.804 1.00 0.00 H new ATOM 0 HB THR A 68 -11.471 -1.564 -11.082 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.078 -3.594 -10.844 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.408 -2.769 -11.695 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.055 -1.192 -10.948 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.864 -2.688 -10.002 1.00 0.00 H new ATOM 969 N TYR A 69 -10.599 -1.574 -6.632 1.00 0.00 N ATOM 970 CA TYR A 69 -10.109 -2.255 -5.438 1.00 0.00 C ATOM 971 C TYR A 69 -10.962 -1.904 -4.223 1.00 0.00 C ATOM 972 O TYR A 69 -11.812 -1.015 -4.283 1.00 0.00 O ATOM 973 CB TYR A 69 -8.650 -1.886 -5.151 1.00 0.00 C ATOM 974 CG TYR A 69 -7.637 -2.747 -5.870 1.00 0.00 C ATOM 975 CD1 TYR A 69 -7.220 -3.955 -5.327 1.00 0.00 C ATOM 976 CD2 TYR A 69 -7.092 -2.353 -7.086 1.00 0.00 C ATOM 977 CE1 TYR A 69 -6.290 -4.746 -5.972 1.00 0.00 C ATOM 978 CE2 TYR A 69 -6.161 -3.138 -7.739 1.00 0.00 C ATOM 979 CZ TYR A 69 -5.763 -4.334 -7.178 1.00 0.00 C ATOM 980 OH TYR A 69 -4.836 -5.118 -7.824 1.00 0.00 O ATOM 0 H TYR A 69 -11.072 -0.689 -6.447 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.175 -3.326 -5.627 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.489 -0.845 -5.432 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.474 -1.958 -4.078 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.631 -4.282 -4.383 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.401 -1.417 -7.528 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.977 -5.682 -5.534 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.747 -2.817 -8.683 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.567 -4.684 -8.661 1.00 0.00 H new ATOM 990 N ASN A 70 -10.721 -2.605 -3.120 1.00 0.00 N ATOM 991 CA ASN A 70 -11.452 -2.372 -1.880 1.00 0.00 C ATOM 992 C ASN A 70 -10.504 -2.434 -0.686 1.00 0.00 C ATOM 993 O ASN A 70 -9.737 -3.385 -0.542 1.00 0.00 O ATOM 994 CB ASN A 70 -12.566 -3.407 -1.716 1.00 0.00 C ATOM 995 CG ASN A 70 -13.631 -3.287 -2.788 1.00 0.00 C ATOM 996 OD1 ASN A 70 -13.936 -2.191 -3.258 1.00 0.00 O ATOM 997 ND2 ASN A 70 -14.203 -4.419 -3.181 1.00 0.00 N ATOM 0 H ASN A 70 -10.020 -3.344 -3.060 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.898 -1.379 -1.925 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.135 -4.408 -1.747 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.027 -3.288 -0.735 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.926 -4.402 -3.900 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.919 -5.305 -2.764 1.00 0.00 H new ATOM 1004 N VAL A 71 -10.565 -1.422 0.172 1.00 0.00 N ATOM 1005 CA VAL A 71 -9.702 -1.372 1.345 1.00 0.00 C ATOM 1006 C VAL A 71 -10.420 -1.912 2.577 1.00 0.00 C ATOM 1007 O VAL A 71 -11.521 -1.472 2.910 1.00 0.00 O ATOM 1008 CB VAL A 71 -9.221 0.064 1.634 1.00 0.00 C ATOM 1009 CG1 VAL A 71 -8.165 0.059 2.730 1.00 0.00 C ATOM 1010 CG2 VAL A 71 -8.680 0.717 0.371 1.00 0.00 C ATOM 0 H VAL A 71 -11.200 -0.629 0.078 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.837 -1.997 1.126 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.074 0.649 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.836 1.080 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.588 -0.364 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.314 -0.543 2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.347 1.729 0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.840 0.135 -0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.465 0.755 -0.384 1.00 0.00 H new ATOM 1020 N VAL A 72 -9.788 -2.870 3.247 1.00 0.00 N ATOM 1021 CA VAL A 72 -10.361 -3.479 4.442 1.00 0.00 C ATOM 1022 C VAL A 72 -9.339 -3.532 5.572 1.00 0.00 C ATOM 1023 O VAL A 72 -8.251 -4.086 5.413 1.00 0.00 O ATOM 1024 CB VAL A 72 -10.877 -4.903 4.159 1.00 0.00 C ATOM 1025 CG1 VAL A 72 -12.291 -4.858 3.600 1.00 0.00 C ATOM 1026 CG2 VAL A 72 -9.942 -5.636 3.211 1.00 0.00 C ATOM 0 H VAL A 72 -8.876 -3.242 2.982 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.202 -2.854 4.744 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.901 -5.452 5.100 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.638 -5.873 3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.953 -4.380 4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.297 -4.289 2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.326 -6.639 3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.879 -5.091 2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.950 -5.704 3.658 1.00 0.00 H new ATOM 1036 N LYS A 73 -9.697 -2.954 6.713 1.00 0.00 N ATOM 1037 CA LYS A 73 -8.808 -2.926 7.868 1.00 0.00 C ATOM 1038 C LYS A 73 -8.792 -4.271 8.589 1.00 0.00 C ATOM 1039 O LYS A 73 -9.736 -4.617 9.300 1.00 0.00 O ATOM 1040 CB LYS A 73 -9.235 -1.824 8.839 1.00 0.00 C ATOM 1041 CG LYS A 73 -8.350 -1.720 10.072 1.00 0.00 C ATOM 1042 CD LYS A 73 -8.821 -0.620 11.011 1.00 0.00 C ATOM 1043 CE LYS A 73 -10.189 -0.931 11.600 1.00 0.00 C ATOM 1044 NZ LYS A 73 -10.646 0.134 12.534 1.00 0.00 N ATOM 0 H LYS A 73 -10.597 -2.498 6.863 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.801 -2.720 7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.228 -0.868 8.316 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.262 -2.007 9.154 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.348 -2.673 10.600 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.322 -1.523 9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.098 -0.495 11.817 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.864 0.326 10.471 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.914 -1.043 10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.149 -1.884 12.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.582 -0.115 12.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.967 0.224 13.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.709 1.039 12.025 1.00 0.00 H new ATOM 1058 N ALA A 74 -7.714 -5.025 8.398 1.00 0.00 N ATOM 1059 CA ALA A 74 -7.564 -6.322 9.047 1.00 0.00 C ATOM 1060 C ALA A 74 -7.165 -6.139 10.513 1.00 0.00 C ATOM 1061 O ALA A 74 -6.123 -5.547 10.807 1.00 0.00 O ATOM 1062 CB ALA A 74 -6.529 -7.164 8.315 1.00 0.00 C ATOM 0 H ALA A 74 -6.932 -4.760 7.799 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.521 -6.843 9.011 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.428 -8.129 8.811 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.848 -7.318 7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.568 -6.649 8.325 1.00 0.00 H new ATOM 1068 N PRO A 75 -7.985 -6.652 11.455 1.00 0.00 N ATOM 1069 CA PRO A 75 -7.723 -6.537 12.889 1.00 0.00 C ATOM 1070 C PRO A 75 -6.746 -7.591 13.397 1.00 0.00 C ATOM 1071 O PRO A 75 -5.653 -7.265 13.860 1.00 0.00 O ATOM 1072 CB PRO A 75 -9.104 -6.744 13.533 1.00 0.00 C ATOM 1073 CG PRO A 75 -10.061 -6.999 12.408 1.00 0.00 C ATOM 1074 CD PRO A 75 -9.236 -7.373 11.210 1.00 0.00 C ATOM 0 HA PRO A 75 -7.261 -5.580 13.131 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -9.087 -7.585 14.227 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.402 -5.865 14.105 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.754 -7.800 12.665 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.661 -6.112 12.202 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.079 -8.450 11.145 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.708 -7.063 10.278 1.00 0.00 H new ATOM 1082 N GLN A 76 -7.149 -8.856 13.313 1.00 0.00 N ATOM 1083 CA GLN A 76 -6.313 -9.961 13.770 1.00 0.00 C ATOM 1084 C GLN A 76 -4.963 -9.956 13.062 1.00 0.00 C ATOM 1085 O GLN A 76 -4.007 -10.584 13.522 1.00 0.00 O ATOM 1086 CB GLN A 76 -7.020 -11.295 13.529 1.00 0.00 C ATOM 1087 CG GLN A 76 -8.395 -11.375 14.171 1.00 0.00 C ATOM 1088 CD GLN A 76 -9.031 -12.743 14.019 1.00 0.00 C ATOM 1089 OE1 GLN A 76 -9.739 -13.006 13.047 1.00 0.00 O ATOM 1090 NE2 GLN A 76 -8.781 -13.621 14.983 1.00 0.00 N ATOM 0 H GLN A 76 -8.051 -9.141 12.932 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.142 -9.833 14.839 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.119 -11.457 12.456 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.399 -12.102 13.917 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.312 -11.133 15.230 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.046 -10.624 13.723 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.188 -13.359 15.770 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.182 -14.558 14.936 1.00 0.00 H new ATOM 1099 N GLY A 77 -4.891 -9.244 11.944 1.00 0.00 N ATOM 1100 CA GLY A 77 -3.656 -9.170 11.189 1.00 0.00 C ATOM 1101 C GLY A 77 -3.609 -10.184 10.065 1.00 0.00 C ATOM 1102 O GLY A 77 -4.646 -10.679 9.625 1.00 0.00 O ATOM 0 H GLY A 77 -5.668 -8.716 11.547 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.545 -8.167 10.776 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.812 -9.334 11.859 1.00 0.00 H new ATOM 1106 N LYS A 78 -2.404 -10.497 9.600 1.00 0.00 N ATOM 1107 CA LYS A 78 -2.233 -11.460 8.521 1.00 0.00 C ATOM 1108 C LYS A 78 -1.044 -12.378 8.784 1.00 0.00 C ATOM 1109 O LYS A 78 -1.200 -13.594 8.893 1.00 0.00 O ATOM 1110 CB LYS A 78 -2.056 -10.734 7.192 1.00 0.00 C ATOM 1111 CG LYS A 78 -2.177 -11.645 5.984 1.00 0.00 C ATOM 1112 CD LYS A 78 -3.583 -11.630 5.404 1.00 0.00 C ATOM 1113 CE LYS A 78 -4.603 -12.171 6.391 1.00 0.00 C ATOM 1114 NZ LYS A 78 -5.863 -12.591 5.718 1.00 0.00 N ATOM 0 H LYS A 78 -1.534 -10.098 9.953 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.130 -12.077 8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.802 -9.943 7.117 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.078 -10.252 7.177 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.465 -11.332 5.220 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.912 -12.663 6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.851 -10.611 5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.607 -12.226 4.492 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.176 -13.021 6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.827 -11.407 7.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.531 -12.954 6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.285 -11.775 5.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.654 -13.338 5.025 1.00 0.00 H new ATOM 1128 N ASN A 79 0.143 -11.790 8.884 1.00 0.00 N ATOM 1129 CA ASN A 79 1.357 -12.562 9.134 1.00 0.00 C ATOM 1130 C ASN A 79 2.285 -11.838 10.106 1.00 0.00 C ATOM 1131 O ASN A 79 2.970 -10.887 9.732 1.00 0.00 O ATOM 1132 CB ASN A 79 2.094 -12.837 7.822 1.00 0.00 C ATOM 1133 CG ASN A 79 1.296 -13.717 6.881 1.00 0.00 C ATOM 1134 OD1 ASN A 79 1.376 -14.944 6.943 1.00 0.00 O ATOM 1135 ND2 ASN A 79 0.525 -13.093 5.997 1.00 0.00 N ATOM 0 H ASN A 79 0.292 -10.785 8.796 1.00 0.00 H new ATOM 0 HA ASN A 79 1.060 -13.509 9.585 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.316 -11.891 7.329 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.049 -13.315 8.039 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.031 -13.633 5.334 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.489 -12.074 5.981 1.00 0.00 H new ATOM 1142 N GLN A 80 2.298 -12.297 11.356 1.00 0.00 N ATOM 1143 CA GLN A 80 3.148 -11.706 12.387 1.00 0.00 C ATOM 1144 C GLN A 80 2.870 -10.214 12.554 1.00 0.00 C ATOM 1145 O GLN A 80 3.669 -9.489 13.147 1.00 0.00 O ATOM 1146 CB GLN A 80 4.623 -11.924 12.043 1.00 0.00 C ATOM 1147 CG GLN A 80 5.046 -13.383 12.074 1.00 0.00 C ATOM 1148 CD GLN A 80 6.514 -13.573 11.745 1.00 0.00 C ATOM 1149 OE1 GLN A 80 6.885 -13.743 10.583 1.00 0.00 O ATOM 1150 NE2 GLN A 80 7.358 -13.543 12.769 1.00 0.00 N ATOM 0 H GLN A 80 1.728 -13.078 11.680 1.00 0.00 H new ATOM 0 HA GLN A 80 2.918 -12.201 13.331 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.820 -11.518 11.051 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.238 -11.361 12.745 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.843 -13.795 13.062 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.442 -13.947 11.363 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.006 -13.399 13.716 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.358 -13.663 12.609 1.00 0.00 H new ATOM 1159 N LYS A 81 1.734 -9.764 12.035 1.00 0.00 N ATOM 1160 CA LYS A 81 1.357 -8.360 12.125 1.00 0.00 C ATOM 1161 C LYS A 81 0.054 -8.182 12.898 1.00 0.00 C ATOM 1162 O LYS A 81 -0.746 -9.111 13.009 1.00 0.00 O ATOM 1163 CB LYS A 81 1.210 -7.769 10.725 1.00 0.00 C ATOM 1164 CG LYS A 81 2.527 -7.639 9.985 1.00 0.00 C ATOM 1165 CD LYS A 81 3.458 -6.667 10.685 1.00 0.00 C ATOM 1166 CE LYS A 81 4.782 -6.546 9.955 1.00 0.00 C ATOM 1167 NZ LYS A 81 5.645 -5.481 10.537 1.00 0.00 N ATOM 0 H LYS A 81 1.058 -10.352 11.547 1.00 0.00 H new ATOM 0 HA LYS A 81 2.146 -7.835 12.664 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.535 -8.396 10.143 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.746 -6.786 10.801 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.005 -8.616 9.914 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.342 -7.299 8.966 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.984 -5.687 10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.634 -7.001 11.707 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.307 -7.500 9.996 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.597 -6.328 8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.540 -5.432 10.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.156 -4.565 10.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.843 -5.701 11.534 1.00 0.00 H new ATOM 1181 N SER A 82 -0.148 -6.982 13.431 1.00 0.00 N ATOM 1182 CA SER A 82 -1.357 -6.669 14.186 1.00 0.00 C ATOM 1183 C SER A 82 -2.243 -5.714 13.392 1.00 0.00 C ATOM 1184 O SER A 82 -3.442 -5.944 13.239 1.00 0.00 O ATOM 1185 CB SER A 82 -0.997 -6.052 15.538 1.00 0.00 C ATOM 1186 OG SER A 82 -0.201 -6.936 16.308 1.00 0.00 O ATOM 0 H SER A 82 0.512 -6.208 13.354 1.00 0.00 H new ATOM 0 HA SER A 82 -1.906 -7.595 14.360 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.460 -5.116 15.382 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.908 -5.809 16.084 1.00 0.00 H new ATOM 0 HG SER A 82 0.017 -6.517 17.167 1.00 0.00 H new ATOM 1192 N PHE A 83 -1.639 -4.640 12.892 1.00 0.00 N ATOM 1193 CA PHE A 83 -2.363 -3.651 12.101 1.00 0.00 C ATOM 1194 C PHE A 83 -2.098 -3.880 10.616 1.00 0.00 C ATOM 1195 O PHE A 83 -1.025 -3.548 10.114 1.00 0.00 O ATOM 1196 CB PHE A 83 -1.929 -2.236 12.490 1.00 0.00 C ATOM 1197 CG PHE A 83 -1.753 -2.031 13.968 1.00 0.00 C ATOM 1198 CD1 PHE A 83 -2.787 -2.302 14.851 1.00 0.00 C ATOM 1199 CD2 PHE A 83 -0.552 -1.560 14.473 1.00 0.00 C ATOM 1200 CE1 PHE A 83 -2.624 -2.109 16.210 1.00 0.00 C ATOM 1201 CE2 PHE A 83 -0.383 -1.366 15.829 1.00 0.00 C ATOM 1202 CZ PHE A 83 -1.420 -1.640 16.700 1.00 0.00 C ATOM 0 H PHE A 83 -0.649 -4.433 13.021 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.429 -3.759 12.299 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.989 -2.005 11.988 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.670 -1.526 12.122 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.730 -2.668 14.473 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.262 -1.342 13.797 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.437 -2.324 16.888 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.559 -1.000 16.209 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.290 -1.488 17.761 1.00 0.00 H new ATOM 1212 N VAL A 84 -3.075 -4.448 9.915 1.00 0.00 N ATOM 1213 CA VAL A 84 -2.917 -4.728 8.492 1.00 0.00 C ATOM 1214 C VAL A 84 -4.161 -4.348 7.697 1.00 0.00 C ATOM 1215 O VAL A 84 -5.274 -4.381 8.213 1.00 0.00 O ATOM 1216 CB VAL A 84 -2.605 -6.224 8.254 1.00 0.00 C ATOM 1217 CG1 VAL A 84 -2.849 -6.621 6.804 1.00 0.00 C ATOM 1218 CG2 VAL A 84 -1.176 -6.545 8.659 1.00 0.00 C ATOM 0 H VAL A 84 -3.977 -4.721 10.305 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.082 -4.120 8.145 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.284 -6.805 8.878 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.620 -7.678 6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.893 -6.442 6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.209 -6.027 6.152 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.977 -7.602 8.484 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.486 -5.943 8.068 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.038 -6.320 9.717 1.00 0.00 H new ATOM 1228 N PHE A 85 -3.948 -3.969 6.442 1.00 0.00 N ATOM 1229 CA PHE A 85 -5.035 -3.619 5.536 1.00 0.00 C ATOM 1230 C PHE A 85 -4.923 -4.472 4.281 1.00 0.00 C ATOM 1231 O PHE A 85 -3.827 -4.893 3.912 1.00 0.00 O ATOM 1232 CB PHE A 85 -4.997 -2.134 5.171 1.00 0.00 C ATOM 1233 CG PHE A 85 -5.565 -1.231 6.229 1.00 0.00 C ATOM 1234 CD1 PHE A 85 -4.936 -1.093 7.456 1.00 0.00 C ATOM 1235 CD2 PHE A 85 -6.724 -0.513 5.989 1.00 0.00 C ATOM 1236 CE1 PHE A 85 -5.455 -0.255 8.425 1.00 0.00 C ATOM 1237 CE2 PHE A 85 -7.248 0.325 6.954 1.00 0.00 C ATOM 1238 CZ PHE A 85 -6.613 0.455 8.173 1.00 0.00 C ATOM 0 H PHE A 85 -3.020 -3.896 6.025 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.986 -3.811 6.034 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.964 -1.844 4.976 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.550 -1.984 4.244 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.031 -1.646 7.657 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.224 -0.609 5.037 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.956 -0.155 9.378 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.154 0.878 6.755 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.021 1.111 8.928 1.00 0.00 H new ATOM 1248 N ILE A 86 -6.044 -4.730 3.623 1.00 0.00 N ATOM 1249 CA ILE A 86 -6.029 -5.561 2.427 1.00 0.00 C ATOM 1250 C ILE A 86 -6.784 -4.926 1.267 1.00 0.00 C ATOM 1251 O ILE A 86 -7.888 -4.409 1.434 1.00 0.00 O ATOM 1252 CB ILE A 86 -6.641 -6.945 2.715 1.00 0.00 C ATOM 1253 CG1 ILE A 86 -5.944 -7.598 3.909 1.00 0.00 C ATOM 1254 CG2 ILE A 86 -6.547 -7.835 1.484 1.00 0.00 C ATOM 1255 CD1 ILE A 86 -6.632 -8.852 4.404 1.00 0.00 C ATOM 0 H ILE A 86 -6.964 -4.382 3.892 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.982 -5.664 2.141 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.694 -6.814 2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.919 -7.842 3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.890 -6.878 4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.984 -8.809 1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.089 -7.373 0.659 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.501 -7.961 1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.081 -9.259 5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.649 -8.611 4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.663 -9.591 3.603 1.00 0.00 H new ATOM 1267 N LEU A 87 -6.170 -4.966 0.090 1.00 0.00 N ATOM 1268 CA LEU A 87 -6.787 -4.434 -1.115 1.00 0.00 C ATOM 1269 C LEU A 87 -7.455 -5.566 -1.883 1.00 0.00 C ATOM 1270 O LEU A 87 -6.823 -6.580 -2.184 1.00 0.00 O ATOM 1271 CB LEU A 87 -5.751 -3.737 -2.003 1.00 0.00 C ATOM 1272 CG LEU A 87 -5.262 -2.378 -1.494 1.00 0.00 C ATOM 1273 CD1 LEU A 87 -4.207 -1.809 -2.429 1.00 0.00 C ATOM 1274 CD2 LEU A 87 -6.427 -1.408 -1.356 1.00 0.00 C ATOM 0 H LEU A 87 -5.242 -5.363 -0.054 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.534 -3.695 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.890 -4.396 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.180 -3.602 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.814 -2.520 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.870 -0.843 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.360 -2.493 -2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.633 -1.682 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.060 -0.448 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.903 -1.271 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.153 -1.810 -0.649 1.00 0.00 H new ATOM 1286 N GLU A 88 -8.731 -5.390 -2.199 1.00 0.00 N ATOM 1287 CA GLU A 88 -9.482 -6.412 -2.914 1.00 0.00 C ATOM 1288 C GLU A 88 -9.895 -5.915 -4.296 1.00 0.00 C ATOM 1289 O GLU A 88 -10.755 -5.044 -4.415 1.00 0.00 O ATOM 1290 CB GLU A 88 -10.719 -6.819 -2.111 1.00 0.00 C ATOM 1291 CG GLU A 88 -10.394 -7.362 -0.729 1.00 0.00 C ATOM 1292 CD GLU A 88 -11.634 -7.752 0.050 1.00 0.00 C ATOM 1293 OE1 GLU A 88 -12.068 -8.918 -0.067 1.00 0.00 O ATOM 1294 OE2 GLU A 88 -12.173 -6.892 0.779 1.00 0.00 O ATOM 0 H GLU A 88 -9.266 -4.552 -1.972 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.838 -7.282 -3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.376 -5.955 -2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.272 -7.575 -2.669 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.743 -8.231 -0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.839 -6.610 -0.168 1.00 0.00 H new ATOM 1301 N PRO A 89 -9.293 -6.472 -5.362 1.00 0.00 N ATOM 1302 CA PRO A 89 -9.599 -6.069 -6.738 1.00 0.00 C ATOM 1303 C PRO A 89 -11.073 -6.247 -7.078 1.00 0.00 C ATOM 1304 O PRO A 89 -11.714 -7.199 -6.634 1.00 0.00 O ATOM 1305 CB PRO A 89 -8.734 -7.001 -7.593 1.00 0.00 C ATOM 1306 CG PRO A 89 -8.388 -8.137 -6.693 1.00 0.00 C ATOM 1307 CD PRO A 89 -8.289 -7.547 -5.320 1.00 0.00 C ATOM 0 HA PRO A 89 -9.393 -5.012 -6.904 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.276 -7.346 -8.474 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.838 -6.492 -7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.151 -8.914 -6.732 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.447 -8.600 -6.990 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.513 -8.281 -4.546 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.290 -7.162 -5.115 1.00 0.00 H new ATOM 1315 N LYS A 90 -11.601 -5.323 -7.872 1.00 0.00 N ATOM 1316 CA LYS A 90 -12.998 -5.370 -8.276 1.00 0.00 C ATOM 1317 C LYS A 90 -13.121 -5.771 -9.741 1.00 0.00 C ATOM 1318 O LYS A 90 -14.215 -5.767 -10.305 1.00 0.00 O ATOM 1319 CB LYS A 90 -13.658 -4.007 -8.053 1.00 0.00 C ATOM 1320 CG LYS A 90 -13.543 -3.502 -6.623 1.00 0.00 C ATOM 1321 CD LYS A 90 -14.140 -2.111 -6.472 1.00 0.00 C ATOM 1322 CE LYS A 90 -15.650 -2.126 -6.651 1.00 0.00 C ATOM 1323 NZ LYS A 90 -16.239 -0.767 -6.512 1.00 0.00 N ATOM 0 H LYS A 90 -11.080 -4.531 -8.249 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.506 -6.117 -7.666 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.204 -3.278 -8.724 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.712 -4.075 -8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.052 -4.192 -5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.494 -3.483 -6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.894 -1.714 -5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.693 -1.441 -7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.895 -2.529 -7.634 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.096 -2.792 -5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.270 -0.820 -6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.027 -0.392 -5.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.832 -0.137 -7.233 1.00 0.00 H new ATOM 1337 N GLN A 91 -11.992 -6.116 -10.352 1.00 0.00 N ATOM 1338 CA GLN A 91 -11.979 -6.515 -11.755 1.00 0.00 C ATOM 1339 C GLN A 91 -12.527 -7.929 -11.924 1.00 0.00 C ATOM 1340 O GLN A 91 -13.706 -8.118 -12.222 1.00 0.00 O ATOM 1341 CB GLN A 91 -10.558 -6.430 -12.319 1.00 0.00 C ATOM 1342 CG GLN A 91 -10.450 -6.871 -13.771 1.00 0.00 C ATOM 1343 CD GLN A 91 -9.041 -6.741 -14.317 1.00 0.00 C ATOM 1344 OE1 GLN A 91 -8.276 -5.873 -13.894 1.00 0.00 O ATOM 1345 NE2 GLN A 91 -8.692 -7.604 -15.263 1.00 0.00 N ATOM 0 H GLN A 91 -11.078 -6.127 -9.900 1.00 0.00 H new ATOM 0 HA GLN A 91 -12.621 -5.830 -12.308 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.203 -5.403 -12.233 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.897 -7.048 -11.711 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -10.775 -7.908 -13.857 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.128 -6.273 -14.380 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -9.358 -8.307 -15.583 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -7.757 -7.564 -15.670 1.00 0.00 H new ATOM 1354 N GLN A 92 -11.661 -8.916 -11.731 1.00 0.00 N ATOM 1355 CA GLN A 92 -12.047 -10.316 -11.855 1.00 0.00 C ATOM 1356 C GLN A 92 -11.434 -11.135 -10.719 1.00 0.00 C ATOM 1357 O GLN A 92 -11.402 -10.685 -9.573 1.00 0.00 O ATOM 1358 CB GLN A 92 -11.602 -10.860 -13.217 1.00 0.00 C ATOM 1359 CG GLN A 92 -10.107 -10.743 -13.463 1.00 0.00 C ATOM 1360 CD GLN A 92 -9.695 -11.272 -14.823 1.00 0.00 C ATOM 1361 OE1 GLN A 92 -10.467 -11.222 -15.782 1.00 0.00 O ATOM 1362 NE2 GLN A 92 -8.473 -11.784 -14.915 1.00 0.00 N ATOM 0 H GLN A 92 -10.681 -8.771 -11.487 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.132 -10.395 -11.786 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.893 -11.908 -13.292 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.134 -10.324 -14.004 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -9.810 -9.698 -13.379 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -9.571 -11.290 -12.687 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.866 -11.806 -14.095 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.141 -12.156 -15.805 1.00 0.00 H new ATOM 1371 N GLY A 93 -10.954 -12.336 -11.032 1.00 0.00 N ATOM 1372 CA GLY A 93 -10.348 -13.176 -10.016 1.00 0.00 C ATOM 1373 C GLY A 93 -8.930 -12.748 -9.684 1.00 0.00 C ATOM 1374 O GLY A 93 -8.078 -13.584 -9.382 1.00 0.00 O ATOM 0 H GLY A 93 -10.974 -12.740 -11.968 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.956 -13.144 -9.112 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.342 -14.210 -10.360 1.00 0.00 H new ATOM 1378 N ASP A 94 -8.678 -11.442 -9.742 1.00 0.00 N ATOM 1379 CA ASP A 94 -7.354 -10.903 -9.447 1.00 0.00 C ATOM 1380 C ASP A 94 -6.968 -11.184 -7.995 1.00 0.00 C ATOM 1381 O ASP A 94 -7.836 -11.373 -7.142 1.00 0.00 O ATOM 1382 CB ASP A 94 -7.320 -9.396 -9.718 1.00 0.00 C ATOM 1383 CG ASP A 94 -8.503 -8.925 -10.540 1.00 0.00 C ATOM 1384 OD1 ASP A 94 -9.598 -8.762 -9.963 1.00 0.00 O ATOM 1385 OD2 ASP A 94 -8.335 -8.723 -11.761 1.00 0.00 O ATOM 0 H ASP A 94 -9.373 -10.738 -9.991 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.632 -11.395 -10.099 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.305 -8.860 -8.769 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.397 -9.145 -10.240 1.00 0.00 H new ATOM 1390 N PRO A 95 -5.656 -11.214 -7.694 1.00 0.00 N ATOM 1391 CA PRO A 95 -5.159 -11.484 -6.343 1.00 0.00 C ATOM 1392 C PRO A 95 -5.164 -10.245 -5.446 1.00 0.00 C ATOM 1393 O PRO A 95 -5.021 -9.121 -5.928 1.00 0.00 O ATOM 1394 CB PRO A 95 -3.730 -11.944 -6.602 1.00 0.00 C ATOM 1395 CG PRO A 95 -3.310 -11.187 -7.815 1.00 0.00 C ATOM 1396 CD PRO A 95 -4.552 -10.994 -8.649 1.00 0.00 C ATOM 0 HA PRO A 95 -5.781 -12.207 -5.815 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.082 -11.725 -5.753 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.683 -13.020 -6.769 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.873 -10.227 -7.541 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.550 -11.736 -8.371 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.591 -9.995 -9.082 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.592 -11.702 -9.477 1.00 0.00 H new ATOM 1404 N PRO A 96 -5.330 -10.439 -4.122 1.00 0.00 N ATOM 1405 CA PRO A 96 -5.343 -9.342 -3.154 1.00 0.00 C ATOM 1406 C PRO A 96 -3.938 -8.959 -2.697 1.00 0.00 C ATOM 1407 O PRO A 96 -2.973 -9.678 -2.962 1.00 0.00 O ATOM 1408 CB PRO A 96 -6.139 -9.933 -1.997 1.00 0.00 C ATOM 1409 CG PRO A 96 -5.813 -11.389 -2.023 1.00 0.00 C ATOM 1410 CD PRO A 96 -5.526 -11.745 -3.463 1.00 0.00 C ATOM 0 HA PRO A 96 -5.764 -8.424 -3.565 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.855 -9.480 -1.047 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -7.208 -9.764 -2.124 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -4.950 -11.604 -1.392 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.645 -11.979 -1.637 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.639 -12.373 -3.550 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.353 -12.297 -3.910 1.00 0.00 H new ATOM 1418 N VAL A 97 -3.826 -7.826 -2.008 1.00 0.00 N ATOM 1419 CA VAL A 97 -2.532 -7.356 -1.518 1.00 0.00 C ATOM 1420 C VAL A 97 -2.621 -6.913 -0.058 1.00 0.00 C ATOM 1421 O VAL A 97 -3.521 -6.163 0.318 1.00 0.00 O ATOM 1422 CB VAL A 97 -2.000 -6.185 -2.366 1.00 0.00 C ATOM 1423 CG1 VAL A 97 -0.606 -5.782 -1.909 1.00 0.00 C ATOM 1424 CG2 VAL A 97 -1.999 -6.552 -3.843 1.00 0.00 C ATOM 0 H VAL A 97 -4.612 -7.218 -1.777 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.842 -8.196 -1.598 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.663 -5.331 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.248 -4.954 -2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.641 -5.473 -0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.071 -6.630 -2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.620 -5.713 -4.426 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.361 -7.421 -4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.015 -6.785 -4.161 1.00 0.00 H new ATOM 1434 N GLU A 98 -1.681 -7.382 0.760 1.00 0.00 N ATOM 1435 CA GLU A 98 -1.657 -7.034 2.177 1.00 0.00 C ATOM 1436 C GLU A 98 -0.620 -5.953 2.466 1.00 0.00 C ATOM 1437 O GLU A 98 0.461 -5.938 1.878 1.00 0.00 O ATOM 1438 CB GLU A 98 -1.346 -8.270 3.021 1.00 0.00 C ATOM 1439 CG GLU A 98 -2.480 -9.278 3.082 1.00 0.00 C ATOM 1440 CD GLU A 98 -2.853 -9.829 1.719 1.00 0.00 C ATOM 1441 OE1 GLU A 98 -2.180 -10.774 1.256 1.00 0.00 O ATOM 1442 OE2 GLU A 98 -3.819 -9.316 1.114 1.00 0.00 O ATOM 0 H GLU A 98 -0.927 -8.003 0.465 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.643 -6.649 2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.460 -8.760 2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.101 -7.953 4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.192 -10.102 3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.355 -8.807 3.530 1.00 0.00 H new ATOM 1449 N PHE A 99 -0.963 -5.049 3.378 1.00 0.00 N ATOM 1450 CA PHE A 99 -0.065 -3.965 3.769 1.00 0.00 C ATOM 1451 C PHE A 99 0.041 -3.886 5.291 1.00 0.00 C ATOM 1452 O PHE A 99 -0.835 -4.375 6.004 1.00 0.00 O ATOM 1453 CB PHE A 99 -0.570 -2.629 3.223 1.00 0.00 C ATOM 1454 CG PHE A 99 -0.737 -2.589 1.732 1.00 0.00 C ATOM 1455 CD1 PHE A 99 -1.826 -3.193 1.127 1.00 0.00 C ATOM 1456 CD2 PHE A 99 0.191 -1.937 0.936 1.00 0.00 C ATOM 1457 CE1 PHE A 99 -1.988 -3.148 -0.245 1.00 0.00 C ATOM 1458 CE2 PHE A 99 0.036 -1.890 -0.436 1.00 0.00 C ATOM 1459 CZ PHE A 99 -1.055 -2.495 -1.027 1.00 0.00 C ATOM 0 H PHE A 99 -1.860 -5.045 3.863 1.00 0.00 H new ATOM 0 HA PHE A 99 0.920 -4.171 3.351 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.528 -2.399 3.689 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.125 -1.844 3.519 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.558 -3.705 1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.045 -1.460 1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.842 -3.622 -0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.768 -1.380 -1.046 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.179 -2.458 -2.099 1.00 0.00 H new ATOM 1469 N ALA A 100 1.109 -3.268 5.788 1.00 0.00 N ATOM 1470 CA ALA A 100 1.301 -3.134 7.230 1.00 0.00 C ATOM 1471 C ALA A 100 2.216 -1.962 7.574 1.00 0.00 C ATOM 1472 O ALA A 100 2.961 -1.468 6.727 1.00 0.00 O ATOM 1473 CB ALA A 100 1.858 -4.425 7.810 1.00 0.00 C ATOM 0 H ALA A 100 1.849 -2.855 5.220 1.00 0.00 H new ATOM 0 HA ALA A 100 0.326 -2.932 7.674 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.996 -4.311 8.885 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.161 -5.241 7.618 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.817 -4.650 7.343 1.00 0.00 H new ATOM 1479 N THR A 101 2.149 -1.524 8.830 1.00 0.00 N ATOM 1480 CA THR A 101 2.967 -0.415 9.310 1.00 0.00 C ATOM 1481 C THR A 101 3.626 -0.765 10.641 1.00 0.00 C ATOM 1482 O THR A 101 3.510 -1.894 11.121 1.00 0.00 O ATOM 1483 CB THR A 101 2.130 0.865 9.488 1.00 0.00 C ATOM 1484 OG1 THR A 101 1.085 0.640 10.441 1.00 0.00 O ATOM 1485 CG2 THR A 101 1.526 1.306 8.163 1.00 0.00 C ATOM 0 H THR A 101 1.532 -1.924 9.537 1.00 0.00 H new ATOM 0 HA THR A 101 3.735 -0.235 8.558 1.00 0.00 H new ATOM 0 HB THR A 101 2.789 1.654 9.851 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.161 1.291 11.170 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.939 2.212 8.314 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.324 1.506 7.448 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.881 0.517 7.776 1.00 0.00 H new ATOM 1493 N ASP A 102 4.315 0.205 11.232 1.00 0.00 N ATOM 1494 CA ASP A 102 4.989 -0.007 12.510 1.00 0.00 C ATOM 1495 C ASP A 102 4.461 0.955 13.569 1.00 0.00 C ATOM 1496 O ASP A 102 4.859 0.893 14.732 1.00 0.00 O ATOM 1497 CB ASP A 102 6.500 0.172 12.351 1.00 0.00 C ATOM 1498 CG ASP A 102 7.104 -0.833 11.391 1.00 0.00 C ATOM 1499 OD1 ASP A 102 7.160 -0.536 10.178 1.00 0.00 O ATOM 1500 OD2 ASP A 102 7.519 -1.918 11.849 1.00 0.00 O ATOM 0 H ASP A 102 4.422 1.144 10.849 1.00 0.00 H new ATOM 0 HA ASP A 102 4.784 -1.027 12.835 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.708 1.181 11.995 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.979 0.073 13.325 1.00 0.00 H new ATOM 1505 N ARG A 103 3.559 1.842 13.157 1.00 0.00 N ATOM 1506 CA ARG A 103 2.974 2.822 14.067 1.00 0.00 C ATOM 1507 C ARG A 103 1.528 3.119 13.685 1.00 0.00 C ATOM 1508 O ARG A 103 1.098 2.824 12.568 1.00 0.00 O ATOM 1509 CB ARG A 103 3.790 4.117 14.053 1.00 0.00 C ATOM 1510 CG ARG A 103 5.217 3.949 14.547 1.00 0.00 C ATOM 1511 CD ARG A 103 5.984 5.261 14.496 1.00 0.00 C ATOM 1512 NE ARG A 103 6.054 5.802 13.142 1.00 0.00 N ATOM 1513 CZ ARG A 103 6.528 7.011 12.854 1.00 0.00 C ATOM 1514 NH1 ARG A 103 6.971 7.801 13.822 1.00 0.00 N ATOM 1515 NH2 ARG A 103 6.559 7.430 11.595 1.00 0.00 N ATOM 0 H ARG A 103 3.217 1.902 12.198 1.00 0.00 H new ATOM 0 HA ARG A 103 2.990 2.401 15.072 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.811 4.511 13.037 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.286 4.859 14.672 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.207 3.572 15.570 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.728 3.204 13.938 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.504 5.987 15.152 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.993 5.106 14.877 1.00 0.00 H new ATOM 0 HE ARG A 103 5.721 5.220 12.373 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.949 7.482 14.791 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.334 8.728 13.598 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.219 6.825 10.848 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.923 8.357 11.375 1.00 0.00 H new ATOM 1529 N VAL A 104 0.783 3.705 14.616 1.00 0.00 N ATOM 1530 CA VAL A 104 -0.614 4.044 14.374 1.00 0.00 C ATOM 1531 C VAL A 104 -0.732 5.248 13.445 1.00 0.00 C ATOM 1532 O VAL A 104 -1.736 5.414 12.753 1.00 0.00 O ATOM 1533 CB VAL A 104 -1.355 4.348 15.690 1.00 0.00 C ATOM 1534 CG1 VAL A 104 -1.440 3.101 16.555 1.00 0.00 C ATOM 1535 CG2 VAL A 104 -0.673 5.483 16.441 1.00 0.00 C ATOM 0 H VAL A 104 1.123 3.955 15.545 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.074 3.176 13.901 1.00 0.00 H new ATOM 0 HB VAL A 104 -2.370 4.664 15.448 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.967 3.335 17.480 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.980 2.321 16.017 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.435 2.751 16.788 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.212 5.682 17.367 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.354 5.201 16.672 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.672 6.380 15.822 1.00 0.00 H new ATOM 1545 N GLU A 105 0.302 6.085 13.434 1.00 0.00 N ATOM 1546 CA GLU A 105 0.316 7.274 12.589 1.00 0.00 C ATOM 1547 C GLU A 105 0.474 6.897 11.120 1.00 0.00 C ATOM 1548 O GLU A 105 -0.322 7.313 10.278 1.00 0.00 O ATOM 1549 CB GLU A 105 1.446 8.214 13.013 1.00 0.00 C ATOM 1550 CG GLU A 105 1.336 8.688 14.453 1.00 0.00 C ATOM 1551 CD GLU A 105 0.051 9.447 14.721 1.00 0.00 C ATOM 1552 OE1 GLU A 105 0.043 10.683 14.540 1.00 0.00 O ATOM 1553 OE2 GLU A 105 -0.946 8.806 15.112 1.00 0.00 O ATOM 0 H GLU A 105 1.141 5.961 14.001 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.638 7.787 12.712 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.400 7.705 12.879 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.452 9.082 12.353 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.391 7.828 15.120 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.187 9.328 14.687 1.00 0.00 H new ATOM 1560 N GLU A 106 1.505 6.113 10.816 1.00 0.00 N ATOM 1561 CA GLU A 106 1.754 5.684 9.443 1.00 0.00 C ATOM 1562 C GLU A 106 0.565 4.894 8.912 1.00 0.00 C ATOM 1563 O GLU A 106 0.259 4.935 7.721 1.00 0.00 O ATOM 1564 CB GLU A 106 3.017 4.823 9.363 1.00 0.00 C ATOM 1565 CG GLU A 106 4.190 5.375 10.157 1.00 0.00 C ATOM 1566 CD GLU A 106 5.490 4.659 9.848 1.00 0.00 C ATOM 1567 OE1 GLU A 106 6.202 5.095 8.920 1.00 0.00 O ATOM 1568 OE2 GLU A 106 5.796 3.662 10.536 1.00 0.00 O ATOM 0 H GLU A 106 2.178 5.763 11.498 1.00 0.00 H new ATOM 0 HA GLU A 106 1.897 6.575 8.832 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.785 3.821 9.725 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.312 4.724 8.318 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.304 6.437 9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.976 5.289 11.222 1.00 0.00 H new ATOM 1575 N LEU A 107 -0.098 4.172 9.810 1.00 0.00 N ATOM 1576 CA LEU A 107 -1.255 3.368 9.442 1.00 0.00 C ATOM 1577 C LEU A 107 -2.402 4.259 8.983 1.00 0.00 C ATOM 1578 O LEU A 107 -2.908 4.118 7.872 1.00 0.00 O ATOM 1579 CB LEU A 107 -1.712 2.522 10.634 1.00 0.00 C ATOM 1580 CG LEU A 107 -2.718 1.419 10.299 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -2.000 0.098 10.091 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -3.761 1.287 11.396 1.00 0.00 C ATOM 0 H LEU A 107 0.148 4.128 10.799 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.966 2.711 8.622 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.835 2.065 11.093 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.155 3.182 11.380 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.228 1.691 9.375 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.728 -0.678 9.853 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.291 0.195 9.269 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.465 -0.173 11.001 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.465 0.497 11.135 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.270 1.040 12.337 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.297 2.230 11.503 1.00 0.00 H new ATOM 1594 N PHE A 108 -2.796 5.184 9.847 1.00 0.00 N ATOM 1595 CA PHE A 108 -3.890 6.096 9.547 1.00 0.00 C ATOM 1596 C PHE A 108 -3.542 7.033 8.395 1.00 0.00 C ATOM 1597 O PHE A 108 -4.417 7.459 7.653 1.00 0.00 O ATOM 1598 CB PHE A 108 -4.245 6.913 10.791 1.00 0.00 C ATOM 1599 CG PHE A 108 -5.666 6.735 11.241 1.00 0.00 C ATOM 1600 CD1 PHE A 108 -6.017 5.682 12.070 1.00 0.00 C ATOM 1601 CD2 PHE A 108 -6.652 7.621 10.835 1.00 0.00 C ATOM 1602 CE1 PHE A 108 -7.324 5.516 12.487 1.00 0.00 C ATOM 1603 CE2 PHE A 108 -7.961 7.459 11.249 1.00 0.00 C ATOM 1604 CZ PHE A 108 -8.297 6.405 12.076 1.00 0.00 C ATOM 0 H PHE A 108 -2.372 5.323 10.764 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.749 5.497 9.244 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.577 6.630 11.604 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.067 7.969 10.585 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -5.260 4.983 12.394 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.395 8.447 10.188 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -7.584 4.691 13.134 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -8.720 8.156 10.926 1.00 0.00 H new ATOM 0 HZ PHE A 108 -9.319 6.277 12.401 1.00 0.00 H new ATOM 1614 N GLU A 109 -2.264 7.342 8.236 1.00 0.00 N ATOM 1615 CA GLU A 109 -1.828 8.251 7.179 1.00 0.00 C ATOM 1616 C GLU A 109 -1.885 7.594 5.799 1.00 0.00 C ATOM 1617 O GLU A 109 -2.577 8.074 4.898 1.00 0.00 O ATOM 1618 CB GLU A 109 -0.401 8.728 7.462 1.00 0.00 C ATOM 1619 CG GLU A 109 0.148 9.678 6.412 1.00 0.00 C ATOM 1620 CD GLU A 109 -0.636 10.972 6.326 1.00 0.00 C ATOM 1621 OE1 GLU A 109 -0.284 11.929 7.046 1.00 0.00 O ATOM 1622 OE2 GLU A 109 -1.605 11.028 5.539 1.00 0.00 O ATOM 0 H GLU A 109 -1.511 6.980 8.821 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.512 9.100 7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.379 9.223 8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 109 0.255 7.860 7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.189 9.904 6.641 1.00 0.00 H new ATOM 0 HG3 GLU A 109 0.135 9.185 5.440 1.00 0.00 H new ATOM 1629 N TRP A 110 -1.169 6.488 5.650 1.00 0.00 N ATOM 1630 CA TRP A 110 -1.105 5.775 4.378 1.00 0.00 C ATOM 1631 C TRP A 110 -2.426 5.113 4.003 1.00 0.00 C ATOM 1632 O TRP A 110 -2.907 5.265 2.880 1.00 0.00 O ATOM 1633 CB TRP A 110 -0.005 4.714 4.434 1.00 0.00 C ATOM 1634 CG TRP A 110 1.340 5.230 4.033 1.00 0.00 C ATOM 1635 CD1 TRP A 110 2.400 5.488 4.855 1.00 0.00 C ATOM 1636 CD2 TRP A 110 1.771 5.553 2.707 1.00 0.00 C ATOM 1637 NE1 TRP A 110 3.465 5.950 4.120 1.00 0.00 N ATOM 1638 CE2 TRP A 110 3.102 5.999 2.799 1.00 0.00 C ATOM 1639 CE3 TRP A 110 1.161 5.506 1.450 1.00 0.00 C ATOM 1640 CZ2 TRP A 110 3.831 6.394 1.682 1.00 0.00 C ATOM 1641 CZ3 TRP A 110 1.888 5.901 0.343 1.00 0.00 C ATOM 1642 CH2 TRP A 110 3.211 6.339 0.465 1.00 0.00 C ATOM 0 H TRP A 110 -0.621 6.062 6.397 1.00 0.00 H new ATOM 0 HA TRP A 110 -0.883 6.516 3.610 1.00 0.00 H new ATOM 0 HB2 TRP A 110 0.054 4.316 5.447 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.277 3.885 3.781 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.401 5.349 5.926 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.376 6.213 4.496 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.141 5.167 1.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.852 6.733 1.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.427 5.871 -0.633 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.753 6.640 -0.419 1.00 0.00 H new ATOM 1653 N PHE A 111 -3.009 4.382 4.941 1.00 0.00 N ATOM 1654 CA PHE A 111 -4.250 3.663 4.687 1.00 0.00 C ATOM 1655 C PHE A 111 -5.447 4.590 4.490 1.00 0.00 C ATOM 1656 O PHE A 111 -6.369 4.253 3.747 1.00 0.00 O ATOM 1657 CB PHE A 111 -4.486 2.644 5.795 1.00 0.00 C ATOM 1658 CG PHE A 111 -3.449 1.561 5.758 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -3.270 0.813 4.606 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -2.635 1.308 6.848 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -2.303 -0.165 4.543 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -1.666 0.324 6.791 1.00 0.00 C ATOM 1663 CZ PHE A 111 -1.500 -0.412 5.637 1.00 0.00 C ATOM 0 H PHE A 111 -2.643 4.270 5.886 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.144 3.133 3.740 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.462 3.143 6.764 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.478 2.206 5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.897 0.999 3.746 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.758 1.885 7.752 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.173 -0.739 3.637 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.040 0.132 7.650 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.743 -1.180 5.590 1.00 0.00 H new ATOM 1673 N GLN A 112 -5.450 5.750 5.141 1.00 0.00 N ATOM 1674 CA GLN A 112 -6.551 6.690 4.961 1.00 0.00 C ATOM 1675 C GLN A 112 -6.483 7.280 3.557 1.00 0.00 C ATOM 1676 O GLN A 112 -7.508 7.541 2.929 1.00 0.00 O ATOM 1677 CB GLN A 112 -6.505 7.799 6.014 1.00 0.00 C ATOM 1678 CG GLN A 112 -7.753 8.665 6.066 1.00 0.00 C ATOM 1679 CD GLN A 112 -7.825 9.675 4.937 1.00 0.00 C ATOM 1680 OE1 GLN A 112 -8.910 10.035 4.481 1.00 0.00 O ATOM 1681 NE2 GLN A 112 -6.668 10.143 4.483 1.00 0.00 N ATOM 0 H GLN A 112 -4.720 6.057 5.784 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.494 6.158 5.085 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -6.349 7.347 6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -5.643 8.436 5.816 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -8.634 8.024 6.029 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -7.782 9.192 7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -5.791 9.817 4.890 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -6.656 10.828 3.727 1.00 0.00 H new ATOM 1690 N SER A 113 -5.258 7.483 3.071 1.00 0.00 N ATOM 1691 CA SER A 113 -5.043 8.019 1.730 1.00 0.00 C ATOM 1692 C SER A 113 -5.470 6.999 0.679 1.00 0.00 C ATOM 1693 O SER A 113 -6.183 7.335 -0.264 1.00 0.00 O ATOM 1694 CB SER A 113 -3.573 8.394 1.534 1.00 0.00 C ATOM 1695 OG SER A 113 -3.171 9.385 2.465 1.00 0.00 O ATOM 0 H SER A 113 -4.401 7.284 3.587 1.00 0.00 H new ATOM 0 HA SER A 113 -5.650 8.917 1.615 1.00 0.00 H new ATOM 0 HB2 SER A 113 -2.950 7.507 1.650 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.420 8.761 0.519 1.00 0.00 H new ATOM 0 HG SER A 113 -2.974 8.963 3.327 1.00 0.00 H new ATOM 1701 N ILE A 114 -5.027 5.753 0.838 1.00 0.00 N ATOM 1702 CA ILE A 114 -5.402 4.700 -0.098 1.00 0.00 C ATOM 1703 C ILE A 114 -6.921 4.613 -0.176 1.00 0.00 C ATOM 1704 O ILE A 114 -7.492 4.333 -1.231 1.00 0.00 O ATOM 1705 CB ILE A 114 -4.824 3.325 0.312 1.00 0.00 C ATOM 1706 CG1 ILE A 114 -3.290 3.362 0.287 1.00 0.00 C ATOM 1707 CG2 ILE A 114 -5.349 2.232 -0.611 1.00 0.00 C ATOM 1708 CD1 ILE A 114 -2.634 2.050 0.681 1.00 0.00 C ATOM 0 H ILE A 114 -4.416 5.452 1.597 1.00 0.00 H new ATOM 0 HA ILE A 114 -4.985 4.955 -1.072 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.147 3.101 1.329 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -2.960 3.635 -0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.945 4.146 0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -4.933 1.271 -0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.436 2.193 -0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.053 2.449 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.550 2.158 0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.933 1.784 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.948 1.265 -0.007 1.00 0.00 H new ATOM 1720 N ARG A 115 -7.565 4.860 0.962 1.00 0.00 N ATOM 1721 CA ARG A 115 -9.020 4.840 1.052 1.00 0.00 C ATOM 1722 C ARG A 115 -9.613 6.113 0.455 1.00 0.00 C ATOM 1723 O ARG A 115 -10.740 6.116 -0.037 1.00 0.00 O ATOM 1724 CB ARG A 115 -9.455 4.700 2.513 1.00 0.00 C ATOM 1725 CG ARG A 115 -9.284 3.299 3.073 1.00 0.00 C ATOM 1726 CD ARG A 115 -9.856 3.189 4.478 1.00 0.00 C ATOM 1727 NE ARG A 115 -9.757 1.832 5.006 1.00 0.00 N ATOM 1728 CZ ARG A 115 -10.571 1.342 5.937 1.00 0.00 C ATOM 1729 NH1 ARG A 115 -11.539 2.097 6.441 1.00 0.00 N ATOM 1730 NH2 ARG A 115 -10.417 0.096 6.364 1.00 0.00 N ATOM 0 H ARG A 115 -7.096 5.078 1.841 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.388 3.985 0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.879 5.397 3.122 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.502 4.990 2.600 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.780 2.581 2.419 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.226 3.038 3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -9.326 3.874 5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -10.901 3.499 4.469 1.00 0.00 H new ATOM 0 HE ARG A 115 -9.023 1.226 4.641 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -11.660 3.056 6.115 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -12.162 1.719 7.155 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -9.674 -0.487 5.979 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -11.041 -0.279 7.078 1.00 0.00 H new ATOM 1744 N GLU A 116 -8.839 7.194 0.503 1.00 0.00 N ATOM 1745 CA GLU A 116 -9.279 8.484 -0.021 1.00 0.00 C ATOM 1746 C GLU A 116 -9.651 8.393 -1.500 1.00 0.00 C ATOM 1747 O GLU A 116 -10.405 9.223 -2.009 1.00 0.00 O ATOM 1748 CB GLU A 116 -8.185 9.537 0.182 1.00 0.00 C ATOM 1749 CG GLU A 116 -8.263 10.254 1.520 1.00 0.00 C ATOM 1750 CD GLU A 116 -7.265 11.389 1.629 1.00 0.00 C ATOM 1751 OE1 GLU A 116 -6.070 11.110 1.865 1.00 0.00 O ATOM 1752 OE2 GLU A 116 -7.677 12.559 1.481 1.00 0.00 O ATOM 0 H GLU A 116 -7.900 7.202 0.901 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.172 8.780 0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.211 9.056 0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.250 10.274 -0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.270 10.646 1.661 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.084 9.539 2.323 1.00 0.00 H new ATOM 1759 N ILE A 117 -9.119 7.388 -2.189 1.00 0.00 N ATOM 1760 CA ILE A 117 -9.401 7.205 -3.608 1.00 0.00 C ATOM 1761 C ILE A 117 -10.526 6.195 -3.834 1.00 0.00 C ATOM 1762 O ILE A 117 -11.387 6.395 -4.692 1.00 0.00 O ATOM 1763 CB ILE A 117 -8.147 6.745 -4.377 1.00 0.00 C ATOM 1764 CG1 ILE A 117 -7.099 7.859 -4.405 1.00 0.00 C ATOM 1765 CG2 ILE A 117 -8.511 6.328 -5.795 1.00 0.00 C ATOM 1766 CD1 ILE A 117 -6.412 8.096 -3.078 1.00 0.00 C ATOM 0 H ILE A 117 -8.492 6.690 -1.789 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.717 8.176 -3.988 1.00 0.00 H new ATOM 0 HB ILE A 117 -7.726 5.883 -3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.345 7.615 -5.153 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.577 8.785 -4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.612 6.007 -6.322 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -9.225 5.505 -5.760 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -8.956 7.173 -6.320 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -5.685 8.901 -3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -7.154 8.373 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.902 7.185 -2.764 1.00 0.00 H new ATOM 1778 N THR A 118 -10.517 5.110 -3.063 1.00 0.00 N ATOM 1779 CA THR A 118 -11.534 4.071 -3.198 1.00 0.00 C ATOM 1780 C THR A 118 -12.686 4.288 -2.222 1.00 0.00 C ATOM 1781 O THR A 118 -13.823 4.523 -2.629 1.00 0.00 O ATOM 1782 CB THR A 118 -10.939 2.669 -2.965 1.00 0.00 C ATOM 1783 OG1 THR A 118 -10.341 2.597 -1.666 1.00 0.00 O ATOM 1784 CG2 THR A 118 -9.898 2.340 -4.025 1.00 0.00 C ATOM 0 H THR A 118 -9.820 4.928 -2.341 1.00 0.00 H new ATOM 0 HA THR A 118 -11.912 4.136 -4.218 1.00 0.00 H new ATOM 0 HB THR A 118 -11.748 1.942 -3.032 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.385 2.400 -1.756 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.492 1.346 -3.840 1.00 0.00 H new ATOM 0 HG22 THR A 118 -10.362 2.365 -5.011 1.00 0.00 H new ATOM 0 HG23 THR A 118 -9.093 3.074 -3.985 1.00 0.00 H new ATOM 1792 N TRP A 119 -12.381 4.203 -0.933 1.00 0.00 N ATOM 1793 CA TRP A 119 -13.381 4.385 0.113 1.00 0.00 C ATOM 1794 C TRP A 119 -14.089 5.730 -0.030 1.00 0.00 C ATOM 1795 O TRP A 119 -15.231 5.889 0.402 1.00 0.00 O ATOM 1796 CB TRP A 119 -12.716 4.279 1.486 1.00 0.00 C ATOM 1797 CG TRP A 119 -13.637 4.563 2.632 1.00 0.00 C ATOM 1798 CD1 TRP A 119 -13.547 5.600 3.513 1.00 0.00 C ATOM 1799 CD2 TRP A 119 -14.784 3.800 3.023 1.00 0.00 C ATOM 1800 NE1 TRP A 119 -14.565 5.530 4.430 1.00 0.00 N ATOM 1801 CE2 TRP A 119 -15.339 4.435 4.151 1.00 0.00 C ATOM 1802 CE3 TRP A 119 -15.396 2.643 2.532 1.00 0.00 C ATOM 1803 CZ2 TRP A 119 -16.476 3.951 4.792 1.00 0.00 C ATOM 1804 CZ3 TRP A 119 -16.526 2.165 3.170 1.00 0.00 C ATOM 1805 CH2 TRP A 119 -17.056 2.818 4.290 1.00 0.00 C ATOM 0 H TRP A 119 -11.442 4.008 -0.585 1.00 0.00 H new ATOM 0 HA TRP A 119 -14.131 3.600 0.014 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.305 3.276 1.603 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -11.877 4.974 1.527 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -12.785 6.365 3.492 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -14.720 6.187 5.195 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -14.994 2.132 1.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -16.886 4.453 5.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -17.008 1.273 2.798 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -17.939 2.420 4.767 1.00 0.00 H new