USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 882 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 59 LYS NZ :NH3+ 168:sc= -0.626 (180deg=-1.34!) USER MOD Set 1.2: A 71 GLN : amide:sc= -0.821 K(o=-1.4,f=-4.3) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.246) USER MOD Single : A 18 SER OG : rot 92:sc= 1.02 USER MOD Single : A 20 TYR OH : rot -121:sc= 0.338 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -4.68! C(o=-4.7!,f=-8.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -1.56! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.054) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -63:sc= 0.146 USER MOD Single : A 91 TYR OH : rot -27:sc= -0.384 USER MOD Single : A 97 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.8) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -171:sc= -0.794 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.00976 USER MOD Single : A 120 ASN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 122 SER OG : rot -87:sc= 0.469 USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 HIS : no HE2:sc= -1.71 K(o=-1.7,f=-2.8) USER MOD Single : A 128 LYS NZ :NH3+ -148:sc= -0.0248 (180deg=-1.2) USER MOD ----------------------------------------------------------------- ATOM 125 N SER A 9 1.940 15.719 5.022 1.00 0.00 N ATOM 126 CA SER A 9 1.375 14.381 4.970 1.00 0.00 C ATOM 127 C SER A 9 1.402 13.850 3.544 1.00 0.00 C ATOM 128 O SER A 9 1.264 14.613 2.588 1.00 0.00 O ATOM 129 CB SER A 9 -0.057 14.393 5.500 1.00 0.00 C ATOM 130 OG SER A 9 -0.979 14.759 4.487 1.00 0.00 O ATOM 0 HA SER A 9 1.977 13.724 5.598 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.312 13.406 5.887 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.133 15.092 6.333 1.00 0.00 H new ATOM 0 HG SER A 9 -1.887 14.757 4.855 1.00 0.00 H new ATOM 136 N VAL A 10 1.588 12.541 3.402 1.00 0.00 N ATOM 137 CA VAL A 10 1.641 11.925 2.079 1.00 0.00 C ATOM 138 C VAL A 10 0.406 12.286 1.254 1.00 0.00 C ATOM 139 O VAL A 10 0.528 12.682 0.099 1.00 0.00 O ATOM 140 CB VAL A 10 1.761 10.388 2.160 1.00 0.00 C ATOM 141 CG1 VAL A 10 2.187 9.823 0.813 1.00 0.00 C ATOM 142 CG2 VAL A 10 2.734 9.973 3.260 1.00 0.00 C ATOM 0 H VAL A 10 1.704 11.891 4.179 1.00 0.00 H new ATOM 0 HA VAL A 10 2.533 12.318 1.592 1.00 0.00 H new ATOM 0 HB VAL A 10 0.783 9.978 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.268 8.738 0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.445 10.084 0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.153 10.242 0.532 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.800 8.886 3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.719 10.390 3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.379 10.347 4.220 1.00 0.00 H new ATOM 152 N LEU A 11 -0.779 12.161 1.855 1.00 0.00 N ATOM 153 CA LEU A 11 -2.028 12.495 1.177 1.00 0.00 C ATOM 154 C LEU A 11 -2.369 11.467 0.100 1.00 0.00 C ATOM 155 O LEU A 11 -3.019 11.785 -0.897 1.00 0.00 O ATOM 156 CB LEU A 11 -1.949 13.918 0.590 1.00 0.00 C ATOM 157 CG LEU A 11 -1.556 14.023 -0.892 1.00 0.00 C ATOM 158 CD1 LEU A 11 -2.742 14.497 -1.717 1.00 0.00 C ATOM 159 CD2 LEU A 11 -0.365 14.957 -1.077 1.00 0.00 C ATOM 0 H LEU A 11 -0.897 11.830 2.812 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.834 12.470 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.920 14.396 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.230 14.490 1.176 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.261 13.033 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.451 14.567 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.563 13.787 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.063 15.477 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.108 15.013 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.623 15.952 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.488 14.575 -0.516 1.00 0.00 H new ATOM 171 N CYS A 12 -1.928 10.234 0.307 1.00 0.00 N ATOM 172 CA CYS A 12 -2.191 9.161 -0.658 1.00 0.00 C ATOM 173 C CYS A 12 -3.584 8.581 -0.449 1.00 0.00 C ATOM 174 O CYS A 12 -3.994 8.333 0.683 1.00 0.00 O ATOM 175 CB CYS A 12 -1.148 8.040 -0.557 1.00 0.00 C ATOM 176 SG CYS A 12 -1.174 6.896 -1.957 1.00 0.00 S ATOM 0 H CYS A 12 -1.391 9.947 1.125 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.127 9.600 -1.654 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -0.156 8.485 -0.481 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -1.318 7.479 0.362 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.262 5.985 -1.790 1.00 0.00 H new ATOM 182 N VAL A 13 -4.306 8.363 -1.546 1.00 0.00 N ATOM 183 CA VAL A 13 -5.654 7.812 -1.472 1.00 0.00 C ATOM 184 C VAL A 13 -6.003 7.020 -2.725 1.00 0.00 C ATOM 185 O VAL A 13 -5.352 7.153 -3.761 1.00 0.00 O ATOM 186 CB VAL A 13 -6.713 8.917 -1.270 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.722 9.412 0.168 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.476 10.070 -2.237 1.00 0.00 C ATOM 0 H VAL A 13 -3.980 8.559 -2.493 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.665 7.146 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.692 8.487 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.477 10.190 0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.952 8.583 0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.742 9.819 0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.233 10.839 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.487 10.493 -2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.539 9.704 -3.262 1.00 0.00 H new ATOM 198 N LYS A 14 -7.034 6.186 -2.619 1.00 0.00 N ATOM 199 CA LYS A 14 -7.463 5.365 -3.740 1.00 0.00 C ATOM 200 C LYS A 14 -8.746 4.609 -3.406 1.00 0.00 C ATOM 201 O LYS A 14 -8.707 3.552 -2.776 1.00 0.00 O ATOM 202 CB LYS A 14 -6.359 4.378 -4.108 1.00 0.00 C ATOM 203 CG LYS A 14 -5.883 4.516 -5.543 1.00 0.00 C ATOM 204 CD LYS A 14 -6.315 3.330 -6.389 1.00 0.00 C ATOM 205 CE LYS A 14 -6.286 3.662 -7.871 1.00 0.00 C ATOM 206 NZ LYS A 14 -7.587 4.211 -8.347 1.00 0.00 N ATOM 0 H LYS A 14 -7.585 6.063 -1.769 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.664 6.019 -4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.513 4.523 -3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.721 3.362 -3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.281 5.435 -5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.796 4.600 -5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.658 2.483 -6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.322 3.026 -6.103 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.495 4.386 -8.065 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.042 2.764 -8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.422 4.840 -9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.209 3.429 -8.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.039 4.748 -7.579 1.00 0.00 H new ATOM 220 N PRO A 15 -9.908 5.143 -3.823 1.00 0.00 N ATOM 221 CA PRO A 15 -11.198 4.514 -3.556 1.00 0.00 C ATOM 222 C PRO A 15 -11.411 3.247 -4.369 1.00 0.00 C ATOM 223 O PRO A 15 -12.201 2.385 -3.992 1.00 0.00 O ATOM 224 CB PRO A 15 -12.213 5.585 -3.949 1.00 0.00 C ATOM 225 CG PRO A 15 -11.510 6.425 -4.954 1.00 0.00 C ATOM 226 CD PRO A 15 -10.052 6.399 -4.579 1.00 0.00 C ATOM 0 HA PRO A 15 -11.282 4.195 -2.517 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -13.116 5.140 -4.368 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.520 6.175 -3.085 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.660 6.035 -5.961 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.895 7.445 -4.947 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -9.411 6.411 -5.461 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.779 7.264 -3.974 1.00 0.00 H new ATOM 234 N ASP A 16 -10.698 3.135 -5.482 1.00 0.00 N ATOM 235 CA ASP A 16 -10.815 1.966 -6.341 1.00 0.00 C ATOM 236 C ASP A 16 -9.552 1.109 -6.291 1.00 0.00 C ATOM 237 O ASP A 16 -8.595 1.352 -7.026 1.00 0.00 O ATOM 238 CB ASP A 16 -11.093 2.401 -7.778 1.00 0.00 C ATOM 239 CG ASP A 16 -12.402 3.155 -7.911 1.00 0.00 C ATOM 240 OD1 ASP A 16 -12.695 3.997 -7.035 1.00 0.00 O ATOM 241 OD2 ASP A 16 -13.136 2.904 -8.891 1.00 0.00 O ATOM 0 H ASP A 16 -10.035 3.837 -5.810 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.646 1.362 -5.976 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.276 3.032 -8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -11.116 1.522 -8.423 1.00 0.00 H new ATOM 246 N VAL A 17 -9.560 0.100 -5.425 1.00 0.00 N ATOM 247 CA VAL A 17 -8.420 -0.798 -5.291 1.00 0.00 C ATOM 248 C VAL A 17 -8.849 -2.146 -4.709 1.00 0.00 C ATOM 249 O VAL A 17 -9.857 -2.236 -4.009 1.00 0.00 O ATOM 250 CB VAL A 17 -7.312 -0.188 -4.408 1.00 0.00 C ATOM 251 CG1 VAL A 17 -7.829 0.082 -3.006 1.00 0.00 C ATOM 252 CG2 VAL A 17 -6.092 -1.097 -4.370 1.00 0.00 C ATOM 0 H VAL A 17 -10.342 -0.115 -4.807 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.019 -0.950 -6.293 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.012 0.764 -4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.031 0.512 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.664 0.781 -3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.163 -0.852 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.323 -0.648 -3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.374 -2.067 -3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.704 -1.228 -5.380 1.00 0.00 H new ATOM 262 N SER A 18 -8.079 -3.191 -5.005 1.00 0.00 N ATOM 263 CA SER A 18 -8.383 -4.534 -4.512 1.00 0.00 C ATOM 264 C SER A 18 -7.289 -5.022 -3.567 1.00 0.00 C ATOM 265 O SER A 18 -6.107 -4.972 -3.899 1.00 0.00 O ATOM 266 CB SER A 18 -8.533 -5.513 -5.682 1.00 0.00 C ATOM 267 OG SER A 18 -8.295 -4.867 -6.922 1.00 0.00 O ATOM 0 H SER A 18 -7.241 -3.135 -5.583 1.00 0.00 H new ATOM 0 HA SER A 18 -9.324 -4.488 -3.964 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.834 -6.341 -5.560 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.536 -5.939 -5.677 1.00 0.00 H new ATOM 0 HG SER A 18 -7.348 -4.952 -7.159 1.00 0.00 H new ATOM 273 N VAL A 19 -7.687 -5.491 -2.390 1.00 0.00 N ATOM 274 CA VAL A 19 -6.729 -5.983 -1.402 1.00 0.00 C ATOM 275 C VAL A 19 -6.803 -7.502 -1.271 1.00 0.00 C ATOM 276 O VAL A 19 -7.584 -8.156 -1.960 1.00 0.00 O ATOM 277 CB VAL A 19 -6.959 -5.346 -0.012 1.00 0.00 C ATOM 278 CG1 VAL A 19 -5.642 -4.872 0.585 1.00 0.00 C ATOM 279 CG2 VAL A 19 -7.959 -4.199 -0.088 1.00 0.00 C ATOM 0 H VAL A 19 -8.662 -5.542 -2.096 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.740 -5.697 -1.760 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.379 -6.111 0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.825 -4.427 1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.966 -5.720 0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.191 -4.129 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.099 -3.772 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.581 -3.431 -0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.913 -4.572 -0.460 1.00 0.00 H new ATOM 289 N TYR A 20 -5.984 -8.054 -0.382 1.00 0.00 N ATOM 290 CA TYR A 20 -5.950 -9.495 -0.154 1.00 0.00 C ATOM 291 C TYR A 20 -5.565 -9.799 1.291 1.00 0.00 C ATOM 292 O TYR A 20 -4.902 -8.998 1.944 1.00 0.00 O ATOM 293 CB TYR A 20 -4.958 -10.158 -1.110 1.00 0.00 C ATOM 294 CG TYR A 20 -5.406 -10.141 -2.553 1.00 0.00 C ATOM 295 CD1 TYR A 20 -5.216 -9.016 -3.347 1.00 0.00 C ATOM 296 CD2 TYR A 20 -6.022 -11.249 -3.122 1.00 0.00 C ATOM 297 CE1 TYR A 20 -5.625 -8.996 -4.665 1.00 0.00 C ATOM 298 CE2 TYR A 20 -6.434 -11.237 -4.441 1.00 0.00 C ATOM 299 CZ TYR A 20 -6.233 -10.108 -5.208 1.00 0.00 C ATOM 300 OH TYR A 20 -6.643 -10.091 -6.522 1.00 0.00 O ATOM 0 H TYR A 20 -5.332 -7.523 0.195 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.946 -9.897 -0.342 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.996 -9.652 -1.031 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.801 -11.191 -0.799 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.740 -8.143 -2.925 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.181 -12.134 -2.524 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -5.470 -8.114 -5.268 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.911 -12.107 -4.869 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.608 -10.258 -6.566 1.00 0.00 H new ATOM 310 N ARG A 21 -5.983 -10.959 1.785 1.00 0.00 N ATOM 311 CA ARG A 21 -5.674 -11.358 3.156 1.00 0.00 C ATOM 312 C ARG A 21 -4.993 -12.723 3.184 1.00 0.00 C ATOM 313 O ARG A 21 -5.618 -13.747 2.910 1.00 0.00 O ATOM 314 CB ARG A 21 -6.949 -11.388 4.003 1.00 0.00 C ATOM 315 CG ARG A 21 -6.764 -10.814 5.399 1.00 0.00 C ATOM 316 CD ARG A 21 -6.528 -9.312 5.359 1.00 0.00 C ATOM 317 NE ARG A 21 -6.828 -8.675 6.639 1.00 0.00 N ATOM 318 CZ ARG A 21 -6.469 -7.431 6.951 1.00 0.00 C ATOM 319 NH1 ARG A 21 -5.803 -6.686 6.077 1.00 0.00 N ATOM 320 NH2 ARG A 21 -6.777 -6.930 8.138 1.00 0.00 N ATOM 0 H ARG A 21 -6.534 -11.638 1.260 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.988 -10.623 3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.730 -10.828 3.489 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.297 -12.418 4.085 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.647 -11.028 6.001 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.920 -11.303 5.885 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.490 -9.115 5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.148 -8.869 4.580 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.343 -9.215 7.335 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.564 -7.066 5.161 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.531 -5.734 6.321 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.289 -7.497 8.814 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.502 -5.977 8.376 1.00 0.00 H new ATOM 334 N ILE A 22 -3.705 -12.725 3.512 1.00 0.00 N ATOM 335 CA ILE A 22 -2.933 -13.958 3.570 1.00 0.00 C ATOM 336 C ILE A 22 -2.419 -14.224 4.984 1.00 0.00 C ATOM 337 O ILE A 22 -1.575 -13.486 5.490 1.00 0.00 O ATOM 338 CB ILE A 22 -1.734 -13.909 2.605 1.00 0.00 C ATOM 339 CG1 ILE A 22 -2.206 -13.530 1.201 1.00 0.00 C ATOM 340 CG2 ILE A 22 -1.011 -15.248 2.581 1.00 0.00 C ATOM 341 CD1 ILE A 22 -1.171 -12.780 0.393 1.00 0.00 C ATOM 0 H ILE A 22 -3.175 -11.885 3.742 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.603 -14.765 3.273 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.034 -13.151 2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.486 -14.437 0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.104 -12.918 1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.167 -15.193 1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.649 -15.484 3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.698 -16.027 2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.577 -12.545 -0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.908 -11.855 0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.280 -13.398 0.280 1.00 0.00 H new ATOM 492 N ARG A 32 6.584 -16.572 -4.407 1.00 0.00 N ATOM 493 CA ARG A 32 6.321 -17.474 -5.526 1.00 0.00 C ATOM 494 C ARG A 32 4.826 -17.543 -5.826 1.00 0.00 C ATOM 495 O ARG A 32 4.163 -18.529 -5.505 1.00 0.00 O ATOM 496 CB ARG A 32 6.859 -18.872 -5.220 1.00 0.00 C ATOM 497 CG ARG A 32 6.225 -19.513 -3.995 1.00 0.00 C ATOM 498 CD ARG A 32 7.258 -19.824 -2.924 1.00 0.00 C ATOM 499 NE ARG A 32 8.352 -20.646 -3.440 1.00 0.00 N ATOM 500 CZ ARG A 32 8.958 -21.608 -2.743 1.00 0.00 C ATOM 501 NH1 ARG A 32 8.591 -21.871 -1.495 1.00 0.00 N ATOM 502 NH2 ARG A 32 9.941 -22.307 -3.296 1.00 0.00 N ATOM 0 HA ARG A 32 6.833 -17.083 -6.405 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.690 -19.514 -6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.937 -18.813 -5.072 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.467 -18.845 -3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.716 -20.432 -4.287 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.661 -18.892 -2.527 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.776 -20.341 -2.095 1.00 0.00 H new ATOM 0 HE ARG A 32 8.672 -20.473 -4.393 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.839 -21.335 -1.061 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.061 -22.609 -0.970 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.232 -22.108 -4.253 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.405 -23.043 -2.764 1.00 0.00 H new ATOM 516 N ALA A 33 4.299 -16.485 -6.437 1.00 0.00 N ATOM 517 CA ALA A 33 2.881 -16.420 -6.773 1.00 0.00 C ATOM 518 C ALA A 33 2.481 -17.509 -7.763 1.00 0.00 C ATOM 519 O ALA A 33 1.482 -18.203 -7.565 1.00 0.00 O ATOM 520 CB ALA A 33 2.534 -15.050 -7.329 1.00 0.00 C ATOM 0 H ALA A 33 4.834 -15.660 -6.709 1.00 0.00 H new ATOM 0 HA ALA A 33 2.318 -16.588 -5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.473 -15.016 -7.576 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.758 -14.287 -6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.122 -14.863 -8.228 1.00 0.00 H new ATOM 526 N SER A 34 3.257 -17.651 -8.837 1.00 0.00 N ATOM 527 CA SER A 34 2.972 -18.653 -9.864 1.00 0.00 C ATOM 528 C SER A 34 2.695 -20.015 -9.236 1.00 0.00 C ATOM 529 O SER A 34 1.947 -20.824 -9.786 1.00 0.00 O ATOM 530 CB SER A 34 4.146 -18.764 -10.838 1.00 0.00 C ATOM 531 OG SER A 34 4.229 -17.621 -11.670 1.00 0.00 O ATOM 0 H SER A 34 4.087 -17.086 -9.019 1.00 0.00 H new ATOM 0 HA SER A 34 2.083 -18.333 -10.407 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.075 -18.880 -10.280 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.030 -19.657 -11.452 1.00 0.00 H new ATOM 0 HG SER A 34 4.989 -17.716 -12.282 1.00 0.00 H new ATOM 537 N ASP A 35 3.291 -20.253 -8.076 1.00 0.00 N ATOM 538 CA ASP A 35 3.100 -21.510 -7.365 1.00 0.00 C ATOM 539 C ASP A 35 2.204 -21.316 -6.143 1.00 0.00 C ATOM 540 O ASP A 35 1.621 -22.273 -5.634 1.00 0.00 O ATOM 541 CB ASP A 35 4.446 -22.093 -6.939 1.00 0.00 C ATOM 542 CG ASP A 35 5.264 -22.583 -8.117 1.00 0.00 C ATOM 543 OD1 ASP A 35 5.748 -21.737 -8.896 1.00 0.00 O ATOM 544 OD2 ASP A 35 5.421 -23.815 -8.260 1.00 0.00 O ATOM 0 H ASP A 35 3.911 -19.592 -7.607 1.00 0.00 H new ATOM 0 HA ASP A 35 2.611 -22.209 -8.044 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.012 -21.335 -6.398 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.278 -22.919 -6.248 1.00 0.00 H new ATOM 549 N TRP A 36 2.104 -20.076 -5.667 1.00 0.00 N ATOM 550 CA TRP A 36 1.284 -19.776 -4.498 1.00 0.00 C ATOM 551 C TRP A 36 -0.181 -19.533 -4.883 1.00 0.00 C ATOM 552 O TRP A 36 -1.053 -19.490 -4.016 1.00 0.00 O ATOM 553 CB TRP A 36 1.869 -18.569 -3.755 1.00 0.00 C ATOM 554 CG TRP A 36 0.925 -17.918 -2.789 1.00 0.00 C ATOM 555 CD1 TRP A 36 0.427 -18.450 -1.633 1.00 0.00 C ATOM 556 CD2 TRP A 36 0.372 -16.602 -2.895 1.00 0.00 C ATOM 557 NE1 TRP A 36 -0.400 -17.543 -1.015 1.00 0.00 N ATOM 558 CE2 TRP A 36 -0.450 -16.402 -1.772 1.00 0.00 C ATOM 559 CE3 TRP A 36 0.495 -15.574 -3.832 1.00 0.00 C ATOM 560 CZ2 TRP A 36 -1.143 -15.214 -1.562 1.00 0.00 C ATOM 561 CZ3 TRP A 36 -0.193 -14.394 -3.622 1.00 0.00 C ATOM 562 CH2 TRP A 36 -1.002 -14.224 -2.494 1.00 0.00 C ATOM 0 H TRP A 36 2.578 -19.268 -6.071 1.00 0.00 H new ATOM 0 HA TRP A 36 1.297 -20.641 -3.835 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.760 -18.888 -3.214 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.189 -17.827 -4.487 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.651 -19.438 -1.260 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.896 -17.694 -0.136 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.117 -15.699 -4.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.770 -15.079 -0.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.105 -13.592 -4.339 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.527 -13.290 -2.356 1.00 0.00 H new ATOM 573 N LYS A 37 -0.447 -19.380 -6.183 1.00 0.00 N ATOM 574 CA LYS A 37 -1.807 -19.149 -6.674 1.00 0.00 C ATOM 575 C LYS A 37 -2.319 -17.765 -6.249 1.00 0.00 C ATOM 576 O LYS A 37 -1.878 -16.760 -6.803 1.00 0.00 O ATOM 577 CB LYS A 37 -2.740 -20.276 -6.204 1.00 0.00 C ATOM 578 CG LYS A 37 -4.185 -20.116 -6.652 1.00 0.00 C ATOM 579 CD LYS A 37 -4.289 -20.021 -8.160 1.00 0.00 C ATOM 580 CE LYS A 37 -4.184 -18.580 -8.633 1.00 0.00 C ATOM 581 NZ LYS A 37 -5.231 -18.255 -9.637 1.00 0.00 N ATOM 0 H LYS A 37 0.263 -19.412 -6.915 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.793 -19.161 -7.764 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.359 -21.227 -6.576 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.712 -20.326 -5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.773 -20.963 -6.298 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.611 -19.221 -6.199 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.499 -20.615 -8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.238 -20.445 -8.488 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.277 -17.909 -7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.198 -18.410 -9.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.129 -17.264 -9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.126 -18.879 -10.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.171 -18.394 -9.215 1.00 0.00 H new ATOM 595 N LEU A 38 -3.250 -17.722 -5.276 1.00 0.00 N ATOM 596 CA LEU A 38 -3.841 -16.473 -4.769 1.00 0.00 C ATOM 597 C LEU A 38 -5.345 -16.652 -4.546 1.00 0.00 C ATOM 598 O LEU A 38 -6.142 -15.780 -4.886 1.00 0.00 O ATOM 599 CB LEU A 38 -3.598 -15.290 -5.726 1.00 0.00 C ATOM 600 CG LEU A 38 -4.213 -13.950 -5.310 1.00 0.00 C ATOM 601 CD1 LEU A 38 -3.800 -13.597 -3.893 1.00 0.00 C ATOM 602 CD2 LEU A 38 -3.791 -12.859 -6.282 1.00 0.00 C ATOM 0 H LEU A 38 -3.613 -18.558 -4.819 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.352 -16.245 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.522 -15.154 -5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.989 -15.557 -6.708 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.299 -14.036 -5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.245 -12.642 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.144 -14.373 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.714 -13.521 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.233 -11.910 -5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.705 -12.770 -6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.133 -13.114 -7.285 1.00 0.00 H new ATOM 614 N ASP A 39 -5.742 -17.786 -3.970 1.00 0.00 N ATOM 615 CA ASP A 39 -7.152 -18.049 -3.708 1.00 0.00 C ATOM 616 C ASP A 39 -7.560 -17.434 -2.374 1.00 0.00 C ATOM 617 O ASP A 39 -8.330 -18.017 -1.611 1.00 0.00 O ATOM 618 CB ASP A 39 -7.425 -19.558 -3.702 1.00 0.00 C ATOM 619 CG ASP A 39 -7.444 -20.151 -5.099 1.00 0.00 C ATOM 620 OD1 ASP A 39 -7.349 -19.377 -6.074 1.00 0.00 O ATOM 621 OD2 ASP A 39 -7.550 -21.391 -5.215 1.00 0.00 O ATOM 0 H ASP A 39 -5.110 -18.532 -3.678 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.744 -17.594 -4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.661 -20.060 -3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.382 -19.749 -3.217 1.00 0.00 H new ATOM 626 N GLN A 40 -7.025 -16.250 -2.107 1.00 0.00 N ATOM 627 CA GLN A 40 -7.304 -15.522 -0.878 1.00 0.00 C ATOM 628 C GLN A 40 -8.661 -14.816 -0.978 1.00 0.00 C ATOM 629 O GLN A 40 -9.377 -15.006 -1.959 1.00 0.00 O ATOM 630 CB GLN A 40 -6.166 -14.531 -0.624 1.00 0.00 C ATOM 631 CG GLN A 40 -5.196 -14.989 0.455 1.00 0.00 C ATOM 632 CD GLN A 40 -4.135 -15.939 -0.082 1.00 0.00 C ATOM 633 OE1 GLN A 40 -3.939 -16.044 -1.294 1.00 0.00 O ATOM 634 NE2 GLN A 40 -3.441 -16.631 0.817 1.00 0.00 N ATOM 0 H GLN A 40 -6.385 -15.767 -2.738 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.361 -16.211 -0.035 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.617 -14.373 -1.553 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.589 -13.569 -0.337 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.710 -14.119 0.896 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.751 -15.483 1.253 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.635 -16.514 1.811 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.714 -17.279 0.512 1.00 0.00 H new ATOM 643 N PRO A 41 -9.062 -14.019 0.034 1.00 0.00 N ATOM 644 CA PRO A 41 -10.364 -13.337 0.017 1.00 0.00 C ATOM 645 C PRO A 41 -10.542 -12.415 -1.182 1.00 0.00 C ATOM 646 O PRO A 41 -11.431 -12.629 -2.006 1.00 0.00 O ATOM 647 CB PRO A 41 -10.380 -12.530 1.317 1.00 0.00 C ATOM 648 CG PRO A 41 -8.963 -12.469 1.761 1.00 0.00 C ATOM 649 CD PRO A 41 -8.321 -13.734 1.276 1.00 0.00 C ATOM 0 HA PRO A 41 -11.179 -14.056 -0.062 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.784 -11.531 1.154 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.007 -13.009 2.069 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.462 -11.594 1.347 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.898 -12.390 2.846 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.255 -13.601 1.090 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.420 -14.542 2.001 1.00 0.00 H new ATOM 657 N ASP A 42 -9.705 -11.384 -1.272 1.00 0.00 N ATOM 658 CA ASP A 42 -9.781 -10.424 -2.371 1.00 0.00 C ATOM 659 C ASP A 42 -10.950 -9.465 -2.174 1.00 0.00 C ATOM 660 O ASP A 42 -11.876 -9.419 -2.986 1.00 0.00 O ATOM 661 CB ASP A 42 -9.909 -11.139 -3.717 1.00 0.00 C ATOM 662 CG ASP A 42 -9.701 -10.200 -4.888 1.00 0.00 C ATOM 663 OD1 ASP A 42 -9.666 -8.971 -4.664 1.00 0.00 O ATOM 664 OD2 ASP A 42 -9.572 -10.691 -6.028 1.00 0.00 O ATOM 0 H ASP A 42 -8.965 -11.192 -0.596 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.855 -9.849 -2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -9.179 -11.947 -3.768 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.896 -11.596 -3.791 1.00 0.00 H new ATOM 669 N TRP A 43 -10.901 -8.698 -1.091 1.00 0.00 N ATOM 670 CA TRP A 43 -11.957 -7.740 -0.792 1.00 0.00 C ATOM 671 C TRP A 43 -11.791 -6.477 -1.633 1.00 0.00 C ATOM 672 O TRP A 43 -10.710 -6.199 -2.151 1.00 0.00 O ATOM 673 CB TRP A 43 -12.002 -7.403 0.710 1.00 0.00 C ATOM 674 CG TRP A 43 -10.664 -7.174 1.354 1.00 0.00 C ATOM 675 CD1 TRP A 43 -9.678 -8.097 1.571 1.00 0.00 C ATOM 676 CD2 TRP A 43 -10.180 -5.941 1.901 1.00 0.00 C ATOM 677 NE1 TRP A 43 -8.607 -7.507 2.195 1.00 0.00 N ATOM 678 CE2 TRP A 43 -8.893 -6.186 2.412 1.00 0.00 C ATOM 679 CE3 TRP A 43 -10.709 -4.651 2.000 1.00 0.00 C ATOM 680 CZ2 TRP A 43 -8.127 -5.189 3.014 1.00 0.00 C ATOM 681 CZ3 TRP A 43 -9.949 -3.663 2.599 1.00 0.00 C ATOM 682 CH2 TRP A 43 -8.671 -3.937 3.098 1.00 0.00 C ATOM 0 H TRP A 43 -10.144 -8.721 -0.408 1.00 0.00 H new ATOM 0 HA TRP A 43 -12.910 -8.201 -1.052 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -12.611 -6.510 0.848 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -12.505 -8.216 1.234 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.734 -9.139 1.292 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.739 -7.976 2.455 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.694 -4.430 1.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -7.140 -5.398 3.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.349 -2.663 2.683 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.102 -3.143 3.559 1.00 0.00 H new ATOM 693 N THR A 44 -12.871 -5.713 -1.762 1.00 0.00 N ATOM 694 CA THR A 44 -12.846 -4.480 -2.534 1.00 0.00 C ATOM 695 C THR A 44 -13.136 -3.285 -1.637 1.00 0.00 C ATOM 696 O THR A 44 -14.083 -3.305 -0.849 1.00 0.00 O ATOM 697 CB THR A 44 -13.866 -4.537 -3.673 1.00 0.00 C ATOM 698 OG1 THR A 44 -13.842 -5.802 -4.316 1.00 0.00 O ATOM 699 CG2 THR A 44 -13.634 -3.479 -4.731 1.00 0.00 C ATOM 0 H THR A 44 -13.775 -5.928 -1.341 1.00 0.00 H new ATOM 0 HA THR A 44 -11.850 -4.367 -2.962 1.00 0.00 H new ATOM 0 HB THR A 44 -14.833 -4.358 -3.202 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.504 -5.814 -5.039 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.390 -3.572 -5.511 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.701 -2.490 -4.277 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.644 -3.612 -5.168 1.00 0.00 H new ATOM 707 N GLY A 45 -12.318 -2.247 -1.757 1.00 0.00 N ATOM 708 CA GLY A 45 -12.511 -1.063 -0.943 1.00 0.00 C ATOM 709 C GLY A 45 -11.550 0.051 -1.289 1.00 0.00 C ATOM 710 O GLY A 45 -10.831 -0.028 -2.283 1.00 0.00 O ATOM 0 H GLY A 45 -11.528 -2.204 -2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -13.533 -0.706 -1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.391 -1.327 0.108 1.00 0.00 H new ATOM 714 N ARG A 46 -11.544 1.098 -0.469 1.00 0.00 N ATOM 715 CA ARG A 46 -10.665 2.237 -0.696 1.00 0.00 C ATOM 716 C ARG A 46 -9.461 2.189 0.233 1.00 0.00 C ATOM 717 O ARG A 46 -9.596 1.922 1.428 1.00 0.00 O ATOM 718 CB ARG A 46 -11.431 3.552 -0.517 1.00 0.00 C ATOM 719 CG ARG A 46 -12.057 3.748 0.849 1.00 0.00 C ATOM 720 CD ARG A 46 -12.680 5.133 0.960 1.00 0.00 C ATOM 721 NE ARG A 46 -11.663 6.187 0.980 1.00 0.00 N ATOM 722 CZ ARG A 46 -11.849 7.421 0.505 1.00 0.00 C ATOM 723 NH1 ARG A 46 -13.017 7.778 -0.011 1.00 0.00 N ATOM 724 NH2 ARG A 46 -10.860 8.305 0.553 1.00 0.00 N ATOM 0 H ARG A 46 -12.137 1.180 0.357 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.302 2.185 -1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.750 4.381 -0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.217 3.603 -1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.818 2.986 1.019 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.300 3.621 1.623 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.356 5.296 0.120 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.280 5.190 1.868 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.753 5.964 1.383 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.785 7.107 -0.048 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.148 8.723 -0.371 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.959 8.041 0.952 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.001 9.248 0.190 1.00 0.00 H new ATOM 738 N LEU A 47 -8.281 2.448 -0.323 1.00 0.00 N ATOM 739 CA LEU A 47 -7.052 2.434 0.459 1.00 0.00 C ATOM 740 C LEU A 47 -6.352 3.780 0.374 1.00 0.00 C ATOM 741 O LEU A 47 -6.369 4.435 -0.668 1.00 0.00 O ATOM 742 CB LEU A 47 -6.116 1.319 -0.019 1.00 0.00 C ATOM 743 CG LEU A 47 -5.255 0.695 1.081 1.00 0.00 C ATOM 744 CD1 LEU A 47 -5.124 -0.806 0.879 1.00 0.00 C ATOM 745 CD2 LEU A 47 -3.883 1.354 1.139 1.00 0.00 C ATOM 0 H LEU A 47 -8.151 2.670 -1.310 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.314 2.241 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.714 0.535 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.460 1.720 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.752 0.867 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.508 -1.228 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.113 -1.264 0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.658 -1.004 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.291 0.892 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.376 1.224 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.999 2.418 1.347 1.00 0.00 H new ATOM 757 N ARG A 48 -5.748 4.196 1.479 1.00 0.00 N ATOM 758 CA ARG A 48 -5.058 5.474 1.527 1.00 0.00 C ATOM 759 C ARG A 48 -4.123 5.551 2.727 1.00 0.00 C ATOM 760 O ARG A 48 -4.184 4.717 3.629 1.00 0.00 O ATOM 761 CB ARG A 48 -6.084 6.602 1.588 1.00 0.00 C ATOM 762 CG ARG A 48 -7.156 6.397 2.643 1.00 0.00 C ATOM 763 CD ARG A 48 -7.144 7.519 3.668 1.00 0.00 C ATOM 764 NE ARG A 48 -8.487 7.993 3.981 1.00 0.00 N ATOM 765 CZ ARG A 48 -8.735 9.042 4.759 1.00 0.00 C ATOM 766 NH1 ARG A 48 -7.734 9.738 5.286 1.00 0.00 N ATOM 767 NH2 ARG A 48 -9.986 9.402 5.006 1.00 0.00 N ATOM 0 H ARG A 48 -5.723 3.667 2.351 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.453 5.576 0.626 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.567 7.541 1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.561 6.700 0.613 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.135 6.348 2.165 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.998 5.442 3.144 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.662 7.170 4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.547 8.348 3.289 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.280 7.492 3.581 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.769 9.469 5.094 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.930 10.542 5.882 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.758 8.874 4.599 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.177 10.207 5.603 1.00 0.00 H new ATOM 781 N ILE A 49 -3.264 6.563 2.735 1.00 0.00 N ATOM 782 CA ILE A 49 -2.325 6.752 3.831 1.00 0.00 C ATOM 783 C ILE A 49 -2.174 8.233 4.166 1.00 0.00 C ATOM 784 O ILE A 49 -2.309 9.092 3.294 1.00 0.00 O ATOM 785 CB ILE A 49 -0.947 6.131 3.510 1.00 0.00 C ATOM 786 CG1 ILE A 49 -0.206 6.940 2.443 1.00 0.00 C ATOM 787 CG2 ILE A 49 -1.120 4.697 3.040 1.00 0.00 C ATOM 788 CD1 ILE A 49 1.270 7.086 2.719 1.00 0.00 C ATOM 0 H ILE A 49 -3.199 7.263 1.996 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.731 6.237 4.701 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.351 6.146 4.423 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.341 6.459 1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.655 7.931 2.372 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.144 4.267 2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.602 4.113 3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.738 4.680 2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.733 7.670 1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.413 7.594 3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.732 6.099 2.761 1.00 0.00 H new ATOM 800 N THR A 50 -1.904 8.529 5.432 1.00 0.00 N ATOM 801 CA THR A 50 -1.752 9.911 5.870 1.00 0.00 C ATOM 802 C THR A 50 -0.809 10.017 7.065 1.00 0.00 C ATOM 803 O THR A 50 -0.502 9.019 7.717 1.00 0.00 O ATOM 804 CB THR A 50 -3.121 10.494 6.231 1.00 0.00 C ATOM 805 OG1 THR A 50 -3.998 9.474 6.681 1.00 0.00 O ATOM 806 CG2 THR A 50 -3.800 11.197 5.075 1.00 0.00 C ATOM 0 H THR A 50 -1.786 7.835 6.170 1.00 0.00 H new ATOM 0 HA THR A 50 -1.317 10.480 5.049 1.00 0.00 H new ATOM 0 HB THR A 50 -2.922 11.225 7.015 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.867 9.866 6.908 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.765 11.585 5.401 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.174 12.021 4.732 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.951 10.491 4.258 1.00 0.00 H new ATOM 814 N SER A 51 -0.351 11.236 7.341 1.00 0.00 N ATOM 815 CA SER A 51 0.563 11.479 8.454 1.00 0.00 C ATOM 816 C SER A 51 0.336 12.852 9.084 1.00 0.00 C ATOM 817 O SER A 51 0.244 13.860 8.384 1.00 0.00 O ATOM 818 CB SER A 51 2.009 11.373 7.975 1.00 0.00 C ATOM 819 OG SER A 51 2.149 11.868 6.656 1.00 0.00 O ATOM 0 H SER A 51 -0.598 12.071 6.809 1.00 0.00 H new ATOM 0 HA SER A 51 0.366 10.721 9.212 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.659 11.933 8.647 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.332 10.333 8.012 1.00 0.00 H new ATOM 0 HG SER A 51 3.085 11.790 6.375 1.00 0.00 H new ATOM 825 N LYS A 52 0.269 12.882 10.414 1.00 0.00 N ATOM 826 CA LYS A 52 0.079 14.130 11.148 1.00 0.00 C ATOM 827 C LYS A 52 1.283 15.047 10.954 1.00 0.00 C ATOM 828 O LYS A 52 1.150 16.182 10.497 1.00 0.00 O ATOM 829 CB LYS A 52 -0.126 13.847 12.641 1.00 0.00 C ATOM 830 CG LYS A 52 -0.369 15.099 13.472 1.00 0.00 C ATOM 831 CD LYS A 52 -1.619 15.840 13.020 1.00 0.00 C ATOM 832 CE LYS A 52 -1.274 17.169 12.363 1.00 0.00 C ATOM 833 NZ LYS A 52 -2.350 17.629 11.443 1.00 0.00 N ATOM 0 H LYS A 52 0.344 12.054 11.005 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.810 14.626 10.759 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.973 13.172 12.761 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.752 13.329 13.028 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.468 14.825 14.522 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.494 15.760 13.395 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.177 15.220 12.318 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.269 16.015 13.877 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.108 17.922 13.133 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.341 17.069 11.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.077 18.537 11.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.491 16.922 10.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.235 17.750 11.976 1.00 0.00 H new ATOM 847 N GLY A 53 2.461 14.539 11.301 1.00 0.00 N ATOM 848 CA GLY A 53 3.682 15.311 11.159 1.00 0.00 C ATOM 849 C GLY A 53 4.924 14.470 11.394 1.00 0.00 C ATOM 850 O GLY A 53 5.700 14.231 10.469 1.00 0.00 O ATOM 0 H GLY A 53 2.592 13.601 11.680 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.722 15.743 10.159 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.669 16.141 11.865 1.00 0.00 H new ATOM 854 N LYS A 54 5.108 14.011 12.630 1.00 0.00 N ATOM 855 CA LYS A 54 6.260 13.185 12.976 1.00 0.00 C ATOM 856 C LYS A 54 5.979 11.713 12.696 1.00 0.00 C ATOM 857 O LYS A 54 6.905 10.916 12.536 1.00 0.00 O ATOM 858 CB LYS A 54 6.627 13.358 14.450 1.00 0.00 C ATOM 859 CG LYS A 54 6.855 14.802 14.865 1.00 0.00 C ATOM 860 CD LYS A 54 5.826 15.254 15.889 1.00 0.00 C ATOM 861 CE LYS A 54 6.070 16.686 16.334 1.00 0.00 C ATOM 862 NZ LYS A 54 4.795 17.421 16.559 1.00 0.00 N ATOM 0 H LYS A 54 4.474 14.197 13.407 1.00 0.00 H new ATOM 0 HA LYS A 54 7.096 13.511 12.357 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.831 12.936 15.064 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.530 12.784 14.659 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.856 14.909 15.282 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.805 15.447 13.987 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.826 15.171 15.462 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.859 14.593 16.755 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.656 16.686 17.253 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.660 17.205 15.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.004 18.394 16.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.247 17.443 15.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.243 16.940 17.297 1.00 0.00 H new ATOM 876 N ILE A 55 4.701 11.348 12.650 1.00 0.00 N ATOM 877 CA ILE A 55 4.324 9.963 12.404 1.00 0.00 C ATOM 878 C ILE A 55 3.320 9.843 11.258 1.00 0.00 C ATOM 879 O ILE A 55 2.986 10.833 10.607 1.00 0.00 O ATOM 880 CB ILE A 55 3.751 9.309 13.676 1.00 0.00 C ATOM 881 CG1 ILE A 55 2.403 9.932 14.047 1.00 0.00 C ATOM 882 CG2 ILE A 55 4.740 9.449 14.826 1.00 0.00 C ATOM 883 CD1 ILE A 55 1.337 8.910 14.369 1.00 0.00 C ATOM 0 H ILE A 55 3.916 11.987 12.779 1.00 0.00 H new ATOM 0 HA ILE A 55 5.232 9.434 12.115 1.00 0.00 H new ATOM 0 HB ILE A 55 3.590 8.249 13.479 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.539 10.588 14.907 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.060 10.556 13.222 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.326 8.984 15.721 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.677 8.958 14.562 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.926 10.505 15.019 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.408 9.421 14.623 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.173 8.269 13.502 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.660 8.302 15.214 1.00 0.00 H new ATOM 895 N ALA A 56 2.849 8.621 11.010 1.00 0.00 N ATOM 896 CA ALA A 56 1.896 8.373 9.936 1.00 0.00 C ATOM 897 C ALA A 56 0.968 7.215 10.265 1.00 0.00 C ATOM 898 O ALA A 56 1.245 6.415 11.157 1.00 0.00 O ATOM 899 CB ALA A 56 2.630 8.086 8.637 1.00 0.00 C ATOM 0 H ALA A 56 3.113 7.790 11.539 1.00 0.00 H new ATOM 0 HA ALA A 56 1.290 9.272 9.823 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.906 7.902 7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.250 8.943 8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.262 7.207 8.763 1.00 0.00 H new ATOM 905 N TYR A 57 -0.135 7.133 9.531 1.00 0.00 N ATOM 906 CA TYR A 57 -1.108 6.069 9.735 1.00 0.00 C ATOM 907 C TYR A 57 -1.931 5.832 8.475 1.00 0.00 C ATOM 908 O TYR A 57 -2.297 6.773 7.771 1.00 0.00 O ATOM 909 CB TYR A 57 -2.024 6.392 10.917 1.00 0.00 C ATOM 910 CG TYR A 57 -2.508 7.822 10.967 1.00 0.00 C ATOM 911 CD1 TYR A 57 -1.630 8.865 11.231 1.00 0.00 C ATOM 912 CD2 TYR A 57 -3.847 8.128 10.768 1.00 0.00 C ATOM 913 CE1 TYR A 57 -2.072 10.172 11.293 1.00 0.00 C ATOM 914 CE2 TYR A 57 -4.298 9.432 10.829 1.00 0.00 C ATOM 915 CZ TYR A 57 -3.406 10.451 11.090 1.00 0.00 C ATOM 916 OH TYR A 57 -3.851 11.751 11.155 1.00 0.00 O ATOM 0 H TYR A 57 -0.377 7.791 8.790 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.560 5.154 9.961 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.890 5.731 10.880 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.493 6.170 11.842 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -0.584 8.650 11.391 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.548 7.333 10.562 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.376 10.971 11.500 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.344 9.653 10.673 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.816 11.775 10.987 1.00 0.00 H new ATOM 926 N ILE A 58 -2.205 4.565 8.192 1.00 0.00 N ATOM 927 CA ILE A 58 -2.971 4.194 7.012 1.00 0.00 C ATOM 928 C ILE A 58 -4.424 3.893 7.363 1.00 0.00 C ATOM 929 O ILE A 58 -4.714 3.299 8.401 1.00 0.00 O ATOM 930 CB ILE A 58 -2.343 2.972 6.318 1.00 0.00 C ATOM 931 CG1 ILE A 58 -2.477 1.725 7.197 1.00 0.00 C ATOM 932 CG2 ILE A 58 -0.882 3.253 6.020 1.00 0.00 C ATOM 933 CD1 ILE A 58 -3.504 0.738 6.693 1.00 0.00 C ATOM 0 H ILE A 58 -1.907 3.776 8.766 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.950 5.044 6.330 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.871 2.786 5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.508 1.229 7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.745 2.031 8.208 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.438 2.387 5.529 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.805 4.121 5.365 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.353 3.453 6.952 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.545 -0.120 7.365 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.482 1.217 6.657 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.227 0.403 5.693 1.00 0.00 H new ATOM 945 N LYS A 59 -5.334 4.316 6.492 1.00 0.00 N ATOM 946 CA LYS A 59 -6.757 4.101 6.714 1.00 0.00 C ATOM 947 C LYS A 59 -7.392 3.337 5.557 1.00 0.00 C ATOM 948 O LYS A 59 -7.108 3.604 4.389 1.00 0.00 O ATOM 949 CB LYS A 59 -7.464 5.440 6.911 1.00 0.00 C ATOM 950 CG LYS A 59 -7.559 5.862 8.368 1.00 0.00 C ATOM 951 CD LYS A 59 -7.668 7.374 8.508 1.00 0.00 C ATOM 952 CE LYS A 59 -9.025 7.792 9.055 1.00 0.00 C ATOM 953 NZ LYS A 59 -9.383 7.043 10.290 1.00 0.00 N ATOM 0 H LYS A 59 -5.111 4.809 5.627 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.870 3.498 7.615 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.932 6.209 6.351 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.468 5.378 6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.427 5.390 8.828 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.680 5.509 8.908 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.882 7.736 9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.507 7.842 7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.016 8.861 9.269 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.789 7.625 8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.206 7.491 10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.616 6.060 10.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.578 7.054 10.948 1.00 0.00 H new ATOM 967 N LEU A 60 -8.255 2.384 5.897 1.00 0.00 N ATOM 968 CA LEU A 60 -8.941 1.570 4.901 1.00 0.00 C ATOM 969 C LEU A 60 -10.452 1.612 5.113 1.00 0.00 C ATOM 970 O LEU A 60 -10.926 1.857 6.222 1.00 0.00 O ATOM 971 CB LEU A 60 -8.444 0.122 4.964 1.00 0.00 C ATOM 972 CG LEU A 60 -6.980 -0.043 5.386 1.00 0.00 C ATOM 973 CD1 LEU A 60 -6.616 -1.514 5.523 1.00 0.00 C ATOM 974 CD2 LEU A 60 -6.064 0.635 4.382 1.00 0.00 C ATOM 0 H LEU A 60 -8.496 2.156 6.862 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.718 1.980 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.072 -0.432 5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.577 -0.335 3.983 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.850 0.431 6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.572 -1.604 5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.252 -1.977 6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.763 -2.016 4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.027 0.510 4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.204 0.185 3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.302 1.697 4.331 1.00 0.00 H new ATOM 986 N GLU A 61 -11.202 1.372 4.042 1.00 0.00 N ATOM 987 CA GLU A 61 -12.660 1.384 4.115 1.00 0.00 C ATOM 988 C GLU A 61 -13.276 0.768 2.860 1.00 0.00 C ATOM 989 O GLU A 61 -12.570 0.459 1.900 1.00 0.00 O ATOM 990 CB GLU A 61 -13.162 2.816 4.302 1.00 0.00 C ATOM 991 CG GLU A 61 -14.573 2.899 4.859 1.00 0.00 C ATOM 992 CD GLU A 61 -14.723 3.954 5.940 1.00 0.00 C ATOM 993 OE1 GLU A 61 -13.743 4.682 6.204 1.00 0.00 O ATOM 994 OE2 GLU A 61 -15.823 4.053 6.523 1.00 0.00 O ATOM 0 H GLU A 61 -10.826 1.167 3.116 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.966 0.783 4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.484 3.345 4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.128 3.332 3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -15.266 3.118 4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -14.855 1.928 5.265 1.00 0.00 H new ATOM 1001 N ASP A 62 -14.597 0.584 2.875 1.00 0.00 N ATOM 1002 CA ASP A 62 -15.304 -0.003 1.741 1.00 0.00 C ATOM 1003 C ASP A 62 -15.320 0.951 0.548 1.00 0.00 C ATOM 1004 O ASP A 62 -15.249 2.169 0.710 1.00 0.00 O ATOM 1005 CB ASP A 62 -16.735 -0.366 2.147 1.00 0.00 C ATOM 1006 CG ASP A 62 -17.525 -0.987 1.011 1.00 0.00 C ATOM 1007 OD1 ASP A 62 -16.987 -1.888 0.335 1.00 0.00 O ATOM 1008 OD2 ASP A 62 -18.684 -0.572 0.798 1.00 0.00 O ATOM 0 H ASP A 62 -15.197 0.834 3.661 1.00 0.00 H new ATOM 0 HA ASP A 62 -14.776 -0.908 1.442 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.705 -1.061 2.986 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -17.249 0.531 2.494 1.00 0.00 H new ATOM 1013 N LYS A 63 -15.406 0.380 -0.652 1.00 0.00 N ATOM 1014 CA LYS A 63 -15.422 1.166 -1.884 1.00 0.00 C ATOM 1015 C LYS A 63 -16.683 2.021 -1.988 1.00 0.00 C ATOM 1016 O LYS A 63 -16.724 2.990 -2.745 1.00 0.00 O ATOM 1017 CB LYS A 63 -15.314 0.243 -3.103 1.00 0.00 C ATOM 1018 CG LYS A 63 -15.048 0.982 -4.405 1.00 0.00 C ATOM 1019 CD LYS A 63 -15.260 0.083 -5.616 1.00 0.00 C ATOM 1020 CE LYS A 63 -13.962 -0.153 -6.374 1.00 0.00 C ATOM 1021 NZ LYS A 63 -14.150 -1.083 -7.522 1.00 0.00 N ATOM 0 H LYS A 63 -15.466 -0.628 -0.797 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.562 1.836 -1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.513 -0.477 -2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.239 -0.326 -3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.708 1.847 -4.474 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.026 1.360 -4.407 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.672 -0.873 -5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.994 0.537 -6.282 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.576 0.799 -6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.214 -0.562 -5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.243 -1.217 -8.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.494 -2.000 -7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.845 -0.682 -8.184 1.00 0.00 H new ATOM 1035 N VAL A 64 -17.711 1.653 -1.230 1.00 0.00 N ATOM 1036 CA VAL A 64 -18.969 2.388 -1.247 1.00 0.00 C ATOM 1037 C VAL A 64 -18.918 3.594 -0.315 1.00 0.00 C ATOM 1038 O VAL A 64 -19.711 4.526 -0.458 1.00 0.00 O ATOM 1039 CB VAL A 64 -20.148 1.481 -0.847 1.00 0.00 C ATOM 1040 CG1 VAL A 64 -21.466 2.234 -0.940 1.00 0.00 C ATOM 1041 CG2 VAL A 64 -20.174 0.233 -1.716 1.00 0.00 C ATOM 0 H VAL A 64 -17.697 0.852 -0.598 1.00 0.00 H new ATOM 0 HA VAL A 64 -19.121 2.738 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 64 -20.010 1.175 0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -22.284 1.573 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -21.442 3.094 -0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -21.618 2.576 -1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -21.013 -0.398 -1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -20.286 0.520 -2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -19.243 -0.319 -1.589 1.00 0.00 H new ATOM 1051 N SER A 65 -17.983 3.566 0.638 1.00 0.00 N ATOM 1052 CA SER A 65 -17.807 4.651 1.609 1.00 0.00 C ATOM 1053 C SER A 65 -18.582 4.373 2.892 1.00 0.00 C ATOM 1054 O SER A 65 -19.719 4.819 3.054 1.00 0.00 O ATOM 1055 CB SER A 65 -18.230 6.004 1.020 1.00 0.00 C ATOM 1056 OG SER A 65 -17.683 7.079 1.763 1.00 0.00 O ATOM 0 H SER A 65 -17.328 2.793 0.759 1.00 0.00 H new ATOM 0 HA SER A 65 -16.745 4.699 1.849 1.00 0.00 H new ATOM 0 HB2 SER A 65 -17.902 6.071 -0.017 1.00 0.00 H new ATOM 0 HB3 SER A 65 -19.317 6.078 1.015 1.00 0.00 H new ATOM 0 HG SER A 65 -17.967 7.929 1.366 1.00 0.00 H new ATOM 1062 N GLY A 66 -17.962 3.615 3.794 1.00 0.00 N ATOM 1063 CA GLY A 66 -18.601 3.264 5.051 1.00 0.00 C ATOM 1064 C GLY A 66 -18.868 1.775 5.164 1.00 0.00 C ATOM 1065 O GLY A 66 -19.673 1.223 4.413 1.00 0.00 O ATOM 0 H GLY A 66 -17.023 3.236 3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.967 3.581 5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -19.541 3.808 5.142 1.00 0.00 H new ATOM 1069 N GLU A 67 -18.185 1.126 6.109 1.00 0.00 N ATOM 1070 CA GLU A 67 -18.337 -0.311 6.330 1.00 0.00 C ATOM 1071 C GLU A 67 -17.371 -0.800 7.420 1.00 0.00 C ATOM 1072 O GLU A 67 -17.183 -0.124 8.433 1.00 0.00 O ATOM 1073 CB GLU A 67 -18.117 -1.075 5.018 1.00 0.00 C ATOM 1074 CG GLU A 67 -18.942 -2.346 4.916 1.00 0.00 C ATOM 1075 CD GLU A 67 -18.547 -3.204 3.733 1.00 0.00 C ATOM 1076 OE1 GLU A 67 -17.344 -3.509 3.599 1.00 0.00 O ATOM 1077 OE2 GLU A 67 -19.440 -3.570 2.941 1.00 0.00 O ATOM 0 H GLU A 67 -17.518 1.577 6.736 1.00 0.00 H new ATOM 0 HA GLU A 67 -19.353 -0.504 6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.363 -0.422 4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.061 -1.328 4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.827 -2.924 5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.997 -2.084 4.834 1.00 0.00 H new ATOM 1084 N LEU A 68 -16.770 -1.978 7.218 1.00 0.00 N ATOM 1085 CA LEU A 68 -15.834 -2.550 8.201 1.00 0.00 C ATOM 1086 C LEU A 68 -14.872 -1.493 8.739 1.00 0.00 C ATOM 1087 O LEU A 68 -14.753 -1.312 9.952 1.00 0.00 O ATOM 1088 CB LEU A 68 -15.022 -3.715 7.599 1.00 0.00 C ATOM 1089 CG LEU A 68 -13.934 -4.284 8.517 1.00 0.00 C ATOM 1090 CD1 LEU A 68 -13.706 -5.762 8.223 1.00 0.00 C ATOM 1091 CD2 LEU A 68 -12.638 -3.499 8.360 1.00 0.00 C ATOM 0 H LEU A 68 -16.912 -2.554 6.388 1.00 0.00 H new ATOM 0 HA LEU A 68 -16.441 -2.929 9.023 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -15.709 -4.518 7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -14.556 -3.374 6.675 1.00 0.00 H new ATOM 0 HG LEU A 68 -14.269 -4.188 9.550 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.930 -6.149 8.884 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -14.632 -6.313 8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.392 -5.883 7.186 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -11.877 -3.917 9.019 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -12.297 -3.562 7.327 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.811 -2.455 8.622 1.00 0.00 H new ATOM 1103 N PHE A 69 -14.181 -0.803 7.834 1.00 0.00 N ATOM 1104 CA PHE A 69 -13.221 0.229 8.219 1.00 0.00 C ATOM 1105 C PHE A 69 -12.021 -0.388 8.934 1.00 0.00 C ATOM 1106 O PHE A 69 -12.170 -1.055 9.957 1.00 0.00 O ATOM 1107 CB PHE A 69 -13.884 1.281 9.115 1.00 0.00 C ATOM 1108 CG PHE A 69 -12.923 2.295 9.667 1.00 0.00 C ATOM 1109 CD1 PHE A 69 -12.250 3.167 8.825 1.00 0.00 C ATOM 1110 CD2 PHE A 69 -12.692 2.375 11.031 1.00 0.00 C ATOM 1111 CE1 PHE A 69 -11.365 4.098 9.335 1.00 0.00 C ATOM 1112 CE2 PHE A 69 -11.808 3.305 11.544 1.00 0.00 C ATOM 1113 CZ PHE A 69 -11.145 4.166 10.697 1.00 0.00 C ATOM 0 H PHE A 69 -14.268 -0.940 6.827 1.00 0.00 H new ATOM 0 HA PHE A 69 -12.871 0.717 7.310 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -14.656 1.798 8.544 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -14.383 0.778 9.943 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.419 3.118 7.759 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -13.209 1.703 11.700 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.846 4.772 8.669 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -11.637 3.357 12.609 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.454 4.893 11.097 1.00 0.00 H new ATOM 1123 N ALA A 70 -10.833 -0.161 8.385 1.00 0.00 N ATOM 1124 CA ALA A 70 -9.607 -0.692 8.967 1.00 0.00 C ATOM 1125 C ALA A 70 -8.539 0.393 9.090 1.00 0.00 C ATOM 1126 O ALA A 70 -8.380 1.222 8.194 1.00 0.00 O ATOM 1127 CB ALA A 70 -9.095 -1.850 8.127 1.00 0.00 C ATOM 0 H ALA A 70 -10.693 0.388 7.537 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.832 -1.052 9.971 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.178 -2.242 8.568 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.848 -2.637 8.095 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.891 -1.502 7.114 1.00 0.00 H new ATOM 1133 N GLN A 71 -7.815 0.388 10.204 1.00 0.00 N ATOM 1134 CA GLN A 71 -6.769 1.380 10.438 1.00 0.00 C ATOM 1135 C GLN A 71 -5.492 0.726 10.963 1.00 0.00 C ATOM 1136 O GLN A 71 -5.542 -0.295 11.648 1.00 0.00 O ATOM 1137 CB GLN A 71 -7.261 2.434 11.435 1.00 0.00 C ATOM 1138 CG GLN A 71 -7.403 3.826 10.842 1.00 0.00 C ATOM 1139 CD GLN A 71 -7.793 4.861 11.880 1.00 0.00 C ATOM 1140 OE1 GLN A 71 -7.203 5.937 11.953 1.00 0.00 O ATOM 1141 NE2 GLN A 71 -8.792 4.535 12.693 1.00 0.00 N ATOM 0 H GLN A 71 -7.932 -0.289 10.958 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.539 1.859 9.486 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.226 2.120 11.834 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.567 2.477 12.275 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.461 4.118 10.378 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.154 3.806 10.053 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.254 3.631 12.597 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.097 5.189 13.414 1.00 0.00 H new ATOM 1150 N ALA A 72 -4.348 1.329 10.645 1.00 0.00 N ATOM 1151 CA ALA A 72 -3.058 0.813 11.093 1.00 0.00 C ATOM 1152 C ALA A 72 -2.096 1.959 11.408 1.00 0.00 C ATOM 1153 O ALA A 72 -1.197 2.261 10.622 1.00 0.00 O ATOM 1154 CB ALA A 72 -2.456 -0.115 10.047 1.00 0.00 C ATOM 0 H ALA A 72 -4.289 2.175 10.079 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.221 0.241 12.006 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.495 -0.488 10.401 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.130 -0.954 9.874 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.312 0.432 9.115 1.00 0.00 H new ATOM 1160 N PRO A 73 -2.283 2.619 12.565 1.00 0.00 N ATOM 1161 CA PRO A 73 -1.437 3.743 12.982 1.00 0.00 C ATOM 1162 C PRO A 73 -0.012 3.316 13.309 1.00 0.00 C ATOM 1163 O PRO A 73 0.216 2.253 13.888 1.00 0.00 O ATOM 1164 CB PRO A 73 -2.144 4.282 14.229 1.00 0.00 C ATOM 1165 CG PRO A 73 -2.919 3.124 14.754 1.00 0.00 C ATOM 1166 CD PRO A 73 -3.341 2.331 13.549 1.00 0.00 C ATOM 0 HA PRO A 73 -1.328 4.483 12.189 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.427 4.645 14.965 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.799 5.118 13.983 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.310 2.519 15.426 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.785 3.460 15.324 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.405 1.266 13.771 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.322 2.640 13.187 1.00 0.00 H new ATOM 1174 N VAL A 74 0.946 4.155 12.924 1.00 0.00 N ATOM 1175 CA VAL A 74 2.354 3.869 13.161 1.00 0.00 C ATOM 1176 C VAL A 74 3.117 5.121 13.594 1.00 0.00 C ATOM 1177 O VAL A 74 2.621 6.240 13.465 1.00 0.00 O ATOM 1178 CB VAL A 74 3.017 3.288 11.899 1.00 0.00 C ATOM 1179 CG1 VAL A 74 2.378 1.959 11.522 1.00 0.00 C ATOM 1180 CG2 VAL A 74 2.933 4.274 10.744 1.00 0.00 C ATOM 0 H VAL A 74 0.770 5.039 12.446 1.00 0.00 H new ATOM 0 HA VAL A 74 2.397 3.135 13.966 1.00 0.00 H new ATOM 0 HB VAL A 74 4.070 3.111 12.117 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.860 1.564 10.628 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.499 1.251 12.342 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.316 2.108 11.326 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.408 3.843 9.862 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.887 4.489 10.525 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.444 5.198 11.016 1.00 0.00 H new ATOM 1190 N GLU A 75 4.334 4.918 14.096 1.00 0.00 N ATOM 1191 CA GLU A 75 5.178 6.024 14.537 1.00 0.00 C ATOM 1192 C GLU A 75 5.947 6.634 13.361 1.00 0.00 C ATOM 1193 O GLU A 75 6.707 7.586 13.533 1.00 0.00 O ATOM 1194 CB GLU A 75 6.164 5.555 15.612 1.00 0.00 C ATOM 1195 CG GLU A 75 6.543 6.643 16.602 1.00 0.00 C ATOM 1196 CD GLU A 75 7.932 6.448 17.175 1.00 0.00 C ATOM 1197 OE1 GLU A 75 8.405 5.293 17.204 1.00 0.00 O ATOM 1198 OE2 GLU A 75 8.546 7.451 17.594 1.00 0.00 O ATOM 0 H GLU A 75 4.757 3.996 14.207 1.00 0.00 H new ATOM 0 HA GLU A 75 4.526 6.789 14.960 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.726 4.717 16.155 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.068 5.184 15.128 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.490 7.613 16.108 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.817 6.659 17.415 1.00 0.00 H new ATOM 1205 N GLN A 76 5.754 6.068 12.170 1.00 0.00 N ATOM 1206 CA GLN A 76 6.434 6.540 10.965 1.00 0.00 C ATOM 1207 C GLN A 76 7.933 6.646 11.180 1.00 0.00 C ATOM 1208 O GLN A 76 8.446 7.697 11.568 1.00 0.00 O ATOM 1209 CB GLN A 76 5.894 7.893 10.521 1.00 0.00 C ATOM 1210 CG GLN A 76 5.945 8.105 9.018 1.00 0.00 C ATOM 1211 CD GLN A 76 6.960 9.152 8.608 1.00 0.00 C ATOM 1212 OE1 GLN A 76 7.760 8.933 7.700 1.00 0.00 O ATOM 1213 NE2 GLN A 76 6.930 10.299 9.278 1.00 0.00 N ATOM 0 H GLN A 76 5.129 5.278 12.014 1.00 0.00 H new ATOM 0 HA GLN A 76 6.240 5.804 10.184 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.862 7.991 10.858 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.466 8.681 11.010 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.186 7.161 8.530 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.958 8.404 8.664 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.248 10.436 10.024 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.589 11.042 9.046 1.00 0.00 H new ATOM 1222 N TYR A 77 8.629 5.557 10.914 1.00 0.00 N ATOM 1223 CA TYR A 77 10.070 5.523 11.062 1.00 0.00 C ATOM 1224 C TYR A 77 10.653 4.318 10.330 1.00 0.00 C ATOM 1225 O TYR A 77 11.440 4.477 9.397 1.00 0.00 O ATOM 1226 CB TYR A 77 10.461 5.511 12.543 1.00 0.00 C ATOM 1227 CG TYR A 77 11.924 5.790 12.782 1.00 0.00 C ATOM 1228 CD1 TYR A 77 12.909 4.998 12.205 1.00 0.00 C ATOM 1229 CD2 TYR A 77 12.320 6.850 13.585 1.00 0.00 C ATOM 1230 CE1 TYR A 77 14.246 5.257 12.422 1.00 0.00 C ATOM 1231 CE2 TYR A 77 13.656 7.116 13.807 1.00 0.00 C ATOM 1232 CZ TYR A 77 14.616 6.316 13.224 1.00 0.00 C ATOM 1233 OH TYR A 77 15.949 6.578 13.440 1.00 0.00 O ATOM 0 H TYR A 77 8.217 4.681 10.593 1.00 0.00 H new ATOM 0 HA TYR A 77 10.486 6.425 10.613 1.00 0.00 H new ATOM 0 HB2 TYR A 77 9.866 6.255 13.074 1.00 0.00 H new ATOM 0 HB3 TYR A 77 10.210 4.539 12.969 1.00 0.00 H new ATOM 0 HD1 TYR A 77 12.623 4.167 11.577 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.570 7.477 14.044 1.00 0.00 H new ATOM 0 HE1 TYR A 77 15.000 4.633 11.966 1.00 0.00 H new ATOM 0 HE2 TYR A 77 13.948 7.946 14.434 1.00 0.00 H new ATOM 0 HH TYR A 77 16.038 7.358 14.027 1.00 0.00 H new ATOM 1243 N PRO A 78 10.273 3.090 10.731 1.00 0.00 N ATOM 1244 CA PRO A 78 10.768 1.866 10.087 1.00 0.00 C ATOM 1245 C PRO A 78 10.134 1.635 8.720 1.00 0.00 C ATOM 1246 O PRO A 78 9.532 0.593 8.473 1.00 0.00 O ATOM 1247 CB PRO A 78 10.334 0.774 11.060 1.00 0.00 C ATOM 1248 CG PRO A 78 9.094 1.317 11.680 1.00 0.00 C ATOM 1249 CD PRO A 78 9.332 2.786 11.833 1.00 0.00 C ATOM 0 HA PRO A 78 11.841 1.901 9.901 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.143 -0.167 10.545 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.102 0.578 11.808 1.00 0.00 H new ATOM 0 HG2 PRO A 78 8.224 1.124 11.052 1.00 0.00 H new ATOM 0 HG3 PRO A 78 8.900 0.848 12.645 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.407 3.356 11.742 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.760 3.026 12.806 1.00 0.00 H new ATOM 1257 N GLY A 79 10.268 2.616 7.835 1.00 0.00 N ATOM 1258 CA GLY A 79 9.698 2.494 6.509 1.00 0.00 C ATOM 1259 C GLY A 79 10.398 1.438 5.680 1.00 0.00 C ATOM 1260 O GLY A 79 11.499 1.665 5.183 1.00 0.00 O ATOM 0 H GLY A 79 10.760 3.491 8.013 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.640 2.246 6.592 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.761 3.455 5.999 1.00 0.00 H new ATOM 1264 N ILE A 80 9.751 0.285 5.536 1.00 0.00 N ATOM 1265 CA ILE A 80 10.301 -0.835 4.771 1.00 0.00 C ATOM 1266 C ILE A 80 9.250 -1.921 4.597 1.00 0.00 C ATOM 1267 O ILE A 80 8.102 -1.753 5.013 1.00 0.00 O ATOM 1268 CB ILE A 80 11.535 -1.458 5.469 1.00 0.00 C ATOM 1269 CG1 ILE A 80 11.309 -1.547 6.977 1.00 0.00 C ATOM 1270 CG2 ILE A 80 12.794 -0.669 5.158 1.00 0.00 C ATOM 1271 CD1 ILE A 80 10.633 -2.828 7.407 1.00 0.00 C ATOM 0 H ILE A 80 8.835 0.099 5.943 1.00 0.00 H new ATOM 0 HA ILE A 80 10.605 -0.439 3.802 1.00 0.00 H new ATOM 0 HB ILE A 80 11.670 -2.468 5.081 1.00 0.00 H new ATOM 0 HG12 ILE A 80 12.269 -1.462 7.487 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.703 -0.700 7.297 1.00 0.00 H new ATOM 0 HG21 ILE A 80 13.645 -1.129 5.661 1.00 0.00 H new ATOM 0 HG22 ILE A 80 12.966 -0.668 4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 80 12.676 0.357 5.508 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.503 -2.825 8.489 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.658 -2.905 6.925 1.00 0.00 H new ATOM 0 HD13 ILE A 80 11.249 -3.679 7.118 1.00 0.00 H new ATOM 1283 N ALA A 81 9.644 -3.036 3.984 1.00 0.00 N ATOM 1284 CA ALA A 81 8.736 -4.150 3.761 1.00 0.00 C ATOM 1285 C ALA A 81 7.860 -3.893 2.542 1.00 0.00 C ATOM 1286 O ALA A 81 6.651 -3.692 2.656 1.00 0.00 O ATOM 1287 CB ALA A 81 7.895 -4.408 5.004 1.00 0.00 C ATOM 0 H ALA A 81 10.590 -3.188 3.634 1.00 0.00 H new ATOM 0 HA ALA A 81 9.325 -5.046 3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.221 -5.245 4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.549 -4.646 5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.312 -3.518 5.240 1.00 0.00 H new ATOM 1293 N VAL A 82 8.491 -3.900 1.374 1.00 0.00 N ATOM 1294 CA VAL A 82 7.795 -3.670 0.115 1.00 0.00 C ATOM 1295 C VAL A 82 8.481 -4.418 -1.019 1.00 0.00 C ATOM 1296 O VAL A 82 9.666 -4.217 -1.281 1.00 0.00 O ATOM 1297 CB VAL A 82 7.750 -2.172 -0.242 1.00 0.00 C ATOM 1298 CG1 VAL A 82 6.687 -1.454 0.574 1.00 0.00 C ATOM 1299 CG2 VAL A 82 9.115 -1.538 -0.033 1.00 0.00 C ATOM 0 H VAL A 82 9.493 -4.064 1.273 1.00 0.00 H new ATOM 0 HA VAL A 82 6.776 -4.036 0.243 1.00 0.00 H new ATOM 0 HB VAL A 82 7.485 -2.076 -1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.674 -0.398 0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.711 -1.894 0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.913 -1.555 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.068 -0.480 -0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.410 -1.646 1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.848 -2.033 -0.670 1.00 0.00 H new ATOM 1309 N GLU A 83 7.730 -5.283 -1.688 1.00 0.00 N ATOM 1310 CA GLU A 83 8.269 -6.061 -2.794 1.00 0.00 C ATOM 1311 C GLU A 83 7.156 -6.478 -3.743 1.00 0.00 C ATOM 1312 O GLU A 83 5.983 -6.192 -3.511 1.00 0.00 O ATOM 1313 CB GLU A 83 8.997 -7.301 -2.271 1.00 0.00 C ATOM 1314 CG GLU A 83 10.143 -7.752 -3.161 1.00 0.00 C ATOM 1315 CD GLU A 83 9.971 -9.173 -3.664 1.00 0.00 C ATOM 1316 OE1 GLU A 83 9.725 -10.072 -2.832 1.00 0.00 O ATOM 1317 OE2 GLU A 83 10.081 -9.386 -4.889 1.00 0.00 O ATOM 0 H GLU A 83 6.747 -5.463 -1.484 1.00 0.00 H new ATOM 0 HA GLU A 83 8.980 -5.437 -3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.383 -7.092 -1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.282 -8.117 -2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.223 -7.077 -4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.079 -7.678 -2.607 1.00 0.00 H new ATOM 1324 N THR A 84 7.528 -7.168 -4.812 1.00 0.00 N ATOM 1325 CA THR A 84 6.560 -7.636 -5.786 1.00 0.00 C ATOM 1326 C THR A 84 6.631 -9.152 -5.901 1.00 0.00 C ATOM 1327 O THR A 84 7.286 -9.820 -5.101 1.00 0.00 O ATOM 1328 CB THR A 84 6.815 -7.000 -7.156 1.00 0.00 C ATOM 1329 OG1 THR A 84 7.915 -7.621 -7.794 1.00 0.00 O ATOM 1330 CG2 THR A 84 7.103 -5.515 -7.095 1.00 0.00 C ATOM 0 H THR A 84 8.495 -7.415 -5.024 1.00 0.00 H new ATOM 0 HA THR A 84 5.565 -7.344 -5.449 1.00 0.00 H new ATOM 0 HB THR A 84 5.890 -7.146 -7.714 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.064 -7.205 -8.669 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.273 -5.136 -8.103 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.253 -4.997 -6.651 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.991 -5.341 -6.487 1.00 0.00 H new ATOM 1338 N VAL A 85 5.962 -9.681 -6.908 1.00 0.00 N ATOM 1339 CA VAL A 85 5.947 -11.119 -7.154 1.00 0.00 C ATOM 1340 C VAL A 85 7.307 -11.609 -7.643 1.00 0.00 C ATOM 1341 O VAL A 85 7.815 -11.149 -8.665 1.00 0.00 O ATOM 1342 CB VAL A 85 4.886 -11.501 -8.200 1.00 0.00 C ATOM 1343 CG1 VAL A 85 3.511 -11.556 -7.574 1.00 0.00 C ATOM 1344 CG2 VAL A 85 4.899 -10.527 -9.363 1.00 0.00 C ATOM 0 H VAL A 85 5.417 -9.136 -7.576 1.00 0.00 H new ATOM 0 HA VAL A 85 5.705 -11.595 -6.203 1.00 0.00 H new ATOM 0 HB VAL A 85 5.131 -12.493 -8.580 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.777 -11.828 -8.332 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.503 -12.300 -6.778 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.260 -10.579 -7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.140 -10.818 -10.090 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.686 -9.522 -8.998 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.880 -10.540 -9.838 1.00 0.00 H new ATOM 1354 N THR A 86 7.892 -12.547 -6.907 1.00 0.00 N ATOM 1355 CA THR A 86 9.190 -13.099 -7.269 1.00 0.00 C ATOM 1356 C THR A 86 9.121 -13.836 -8.603 1.00 0.00 C ATOM 1357 O THR A 86 10.057 -13.779 -9.400 1.00 0.00 O ATOM 1358 CB THR A 86 9.688 -14.051 -6.182 1.00 0.00 C ATOM 1359 OG1 THR A 86 9.606 -13.442 -4.901 1.00 0.00 O ATOM 1360 CG2 THR A 86 11.118 -14.504 -6.400 1.00 0.00 C ATOM 0 H THR A 86 7.488 -12.940 -6.057 1.00 0.00 H new ATOM 0 HA THR A 86 9.888 -12.268 -7.367 1.00 0.00 H new ATOM 0 HB THR A 86 9.038 -14.925 -6.236 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.928 -14.069 -4.220 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.413 -15.178 -5.595 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.193 -15.024 -7.355 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.778 -13.636 -6.407 1.00 0.00 H new ATOM 1368 N ASP A 87 8.015 -14.535 -8.842 1.00 0.00 N ATOM 1369 CA ASP A 87 7.841 -15.289 -10.080 1.00 0.00 C ATOM 1370 C ASP A 87 7.044 -14.504 -11.124 1.00 0.00 C ATOM 1371 O ASP A 87 6.732 -15.031 -12.191 1.00 0.00 O ATOM 1372 CB ASP A 87 7.143 -16.621 -9.789 1.00 0.00 C ATOM 1373 CG ASP A 87 7.991 -17.817 -10.171 1.00 0.00 C ATOM 1374 OD1 ASP A 87 9.142 -17.906 -9.691 1.00 0.00 O ATOM 1375 OD2 ASP A 87 7.507 -18.667 -10.947 1.00 0.00 O ATOM 0 H ASP A 87 7.227 -14.595 -8.197 1.00 0.00 H new ATOM 0 HA ASP A 87 8.833 -15.474 -10.492 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.900 -16.676 -8.728 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.200 -16.660 -10.334 1.00 0.00 H new ATOM 1380 N SER A 88 6.698 -13.256 -10.819 1.00 0.00 N ATOM 1381 CA SER A 88 5.921 -12.438 -11.751 1.00 0.00 C ATOM 1382 C SER A 88 4.527 -13.038 -11.961 1.00 0.00 C ATOM 1383 O SER A 88 4.396 -14.209 -12.323 1.00 0.00 O ATOM 1384 CB SER A 88 6.643 -12.315 -13.094 1.00 0.00 C ATOM 1385 OG SER A 88 7.809 -11.520 -12.975 1.00 0.00 O ATOM 0 H SER A 88 6.939 -12.791 -9.944 1.00 0.00 H new ATOM 0 HA SER A 88 5.815 -11.443 -11.319 1.00 0.00 H new ATOM 0 HB2 SER A 88 6.911 -13.307 -13.459 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.972 -11.875 -13.832 1.00 0.00 H new ATOM 0 HG SER A 88 8.253 -11.458 -13.846 1.00 0.00 H new ATOM 1391 N SER A 89 3.489 -12.234 -11.734 1.00 0.00 N ATOM 1392 CA SER A 89 2.112 -12.690 -11.896 1.00 0.00 C ATOM 1393 C SER A 89 1.120 -11.564 -11.589 1.00 0.00 C ATOM 1394 O SER A 89 0.295 -11.680 -10.682 1.00 0.00 O ATOM 1395 CB SER A 89 1.844 -13.888 -10.981 1.00 0.00 C ATOM 1396 OG SER A 89 0.565 -14.444 -11.232 1.00 0.00 O ATOM 0 H SER A 89 3.577 -11.262 -11.437 1.00 0.00 H new ATOM 0 HA SER A 89 1.974 -12.993 -12.934 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.611 -14.647 -11.136 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.910 -13.576 -9.939 1.00 0.00 H new ATOM 0 HG SER A 89 -0.127 -13.784 -11.017 1.00 0.00 H new ATOM 1402 N ARG A 90 1.204 -10.482 -12.368 1.00 0.00 N ATOM 1403 CA ARG A 90 0.311 -9.310 -12.213 1.00 0.00 C ATOM 1404 C ARG A 90 -0.147 -9.102 -10.764 1.00 0.00 C ATOM 1405 O ARG A 90 -1.323 -8.844 -10.505 1.00 0.00 O ATOM 1406 CB ARG A 90 -0.913 -9.467 -13.119 1.00 0.00 C ATOM 1407 CG ARG A 90 -0.564 -9.752 -14.572 1.00 0.00 C ATOM 1408 CD ARG A 90 -0.850 -11.198 -14.946 1.00 0.00 C ATOM 1409 NE ARG A 90 -2.260 -11.545 -14.763 1.00 0.00 N ATOM 1410 CZ ARG A 90 -2.980 -12.242 -15.642 1.00 0.00 C ATOM 1411 NH1 ARG A 90 -2.431 -12.684 -16.768 1.00 0.00 N ATOM 1412 NH2 ARG A 90 -4.255 -12.503 -15.390 1.00 0.00 N ATOM 0 H ARG A 90 1.885 -10.385 -13.121 1.00 0.00 H new ATOM 0 HA ARG A 90 0.886 -8.430 -12.501 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.535 -10.277 -12.738 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.510 -8.556 -13.070 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.136 -9.088 -15.221 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.490 -9.534 -14.743 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.568 -11.366 -15.985 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.233 -11.858 -14.337 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.721 -11.234 -13.908 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.449 -12.491 -16.967 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.991 -13.216 -17.434 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.682 -12.171 -14.526 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.809 -13.036 -16.061 1.00 0.00 H new ATOM 1426 N TYR A 91 0.788 -9.229 -9.826 1.00 0.00 N ATOM 1427 CA TYR A 91 0.482 -9.063 -8.406 1.00 0.00 C ATOM 1428 C TYR A 91 1.684 -8.473 -7.667 1.00 0.00 C ATOM 1429 O TYR A 91 2.812 -8.553 -8.145 1.00 0.00 O ATOM 1430 CB TYR A 91 0.080 -10.420 -7.804 1.00 0.00 C ATOM 1431 CG TYR A 91 0.008 -10.457 -6.288 1.00 0.00 C ATOM 1432 CD1 TYR A 91 1.147 -10.679 -5.527 1.00 0.00 C ATOM 1433 CD2 TYR A 91 -1.200 -10.292 -5.620 1.00 0.00 C ATOM 1434 CE1 TYR A 91 1.094 -10.733 -4.154 1.00 0.00 C ATOM 1435 CE2 TYR A 91 -1.264 -10.346 -4.238 1.00 0.00 C ATOM 1436 CZ TYR A 91 -0.112 -10.567 -3.510 1.00 0.00 C ATOM 1437 OH TYR A 91 -0.167 -10.622 -2.136 1.00 0.00 O ATOM 0 H TYR A 91 1.765 -9.446 -10.023 1.00 0.00 H new ATOM 0 HA TYR A 91 -0.352 -8.370 -8.296 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.893 -10.704 -8.205 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.794 -11.173 -8.137 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.096 -10.812 -6.024 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.102 -10.119 -6.188 1.00 0.00 H new ATOM 0 HE1 TYR A 91 1.994 -10.905 -3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.209 -10.216 -3.732 1.00 0.00 H new ATOM 0 HH TYR A 91 0.564 -11.182 -1.802 1.00 0.00 H new ATOM 1447 N PHE A 92 1.435 -7.877 -6.504 1.00 0.00 N ATOM 1448 CA PHE A 92 2.504 -7.277 -5.712 1.00 0.00 C ATOM 1449 C PHE A 92 2.169 -7.308 -4.222 1.00 0.00 C ATOM 1450 O PHE A 92 1.027 -7.561 -3.840 1.00 0.00 O ATOM 1451 CB PHE A 92 2.769 -5.839 -6.166 1.00 0.00 C ATOM 1452 CG PHE A 92 1.527 -5.012 -6.365 1.00 0.00 C ATOM 1453 CD1 PHE A 92 0.937 -4.356 -5.295 1.00 0.00 C ATOM 1454 CD2 PHE A 92 0.960 -4.875 -7.624 1.00 0.00 C ATOM 1455 CE1 PHE A 92 -0.195 -3.582 -5.477 1.00 0.00 C ATOM 1456 CE2 PHE A 92 -0.174 -4.105 -7.809 1.00 0.00 C ATOM 1457 CZ PHE A 92 -0.749 -3.457 -6.735 1.00 0.00 C ATOM 0 H PHE A 92 0.506 -7.797 -6.091 1.00 0.00 H new ATOM 0 HA PHE A 92 3.407 -7.866 -5.870 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.403 -5.349 -5.427 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.329 -5.863 -7.101 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.366 -4.450 -4.308 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.409 -5.375 -8.469 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.645 -3.076 -4.636 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.609 -4.011 -8.793 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.632 -2.852 -6.879 1.00 0.00 H new ATOM 1467 N VAL A 93 3.178 -7.062 -3.382 1.00 0.00 N ATOM 1468 CA VAL A 93 2.989 -7.077 -1.934 1.00 0.00 C ATOM 1469 C VAL A 93 3.557 -5.824 -1.273 1.00 0.00 C ATOM 1470 O VAL A 93 4.609 -5.322 -1.670 1.00 0.00 O ATOM 1471 CB VAL A 93 3.643 -8.320 -1.296 1.00 0.00 C ATOM 1472 CG1 VAL A 93 2.953 -9.583 -1.779 1.00 0.00 C ATOM 1473 CG2 VAL A 93 5.134 -8.371 -1.598 1.00 0.00 C ATOM 0 H VAL A 93 4.130 -6.851 -3.681 1.00 0.00 H new ATOM 0 HA VAL A 93 1.913 -7.107 -1.765 1.00 0.00 H new ATOM 0 HB VAL A 93 3.525 -8.251 -0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.424 -10.453 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.900 -9.552 -1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.039 -9.653 -2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.569 -9.257 -1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.286 -8.413 -2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.617 -7.479 -1.198 1.00 0.00 H new ATOM 1483 N ILE A 94 2.857 -5.333 -0.255 1.00 0.00 N ATOM 1484 CA ILE A 94 3.293 -4.149 0.472 1.00 0.00 C ATOM 1485 C ILE A 94 2.956 -4.282 1.950 1.00 0.00 C ATOM 1486 O ILE A 94 2.069 -5.048 2.326 1.00 0.00 O ATOM 1487 CB ILE A 94 2.651 -2.862 -0.083 1.00 0.00 C ATOM 1488 CG1 ILE A 94 1.126 -2.948 -0.016 1.00 0.00 C ATOM 1489 CG2 ILE A 94 3.110 -2.611 -1.512 1.00 0.00 C ATOM 1490 CD1 ILE A 94 0.518 -2.075 1.060 1.00 0.00 C ATOM 0 H ILE A 94 1.985 -5.738 0.084 1.00 0.00 H new ATOM 0 HA ILE A 94 4.373 -4.073 0.343 1.00 0.00 H new ATOM 0 HB ILE A 94 2.973 -2.024 0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.711 -2.661 -0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.836 -3.984 0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.647 -1.699 -1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 94 4.194 -2.503 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.818 -3.452 -2.141 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.566 -2.186 1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.904 -2.376 2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.777 -1.033 0.873 1.00 0.00 H new ATOM 1502 N ARG A 95 3.678 -3.550 2.783 1.00 0.00 N ATOM 1503 CA ARG A 95 3.464 -3.604 4.220 1.00 0.00 C ATOM 1504 C ARG A 95 3.908 -2.308 4.879 1.00 0.00 C ATOM 1505 O ARG A 95 4.378 -1.385 4.212 1.00 0.00 O ATOM 1506 CB ARG A 95 4.241 -4.777 4.841 1.00 0.00 C ATOM 1507 CG ARG A 95 4.601 -5.884 3.862 1.00 0.00 C ATOM 1508 CD ARG A 95 5.817 -6.677 4.322 1.00 0.00 C ATOM 1509 NE ARG A 95 5.802 -6.954 5.759 1.00 0.00 N ATOM 1510 CZ ARG A 95 6.337 -8.040 6.312 1.00 0.00 C ATOM 1511 NH1 ARG A 95 6.916 -8.966 5.556 1.00 0.00 N ATOM 1512 NH2 ARG A 95 6.290 -8.203 7.627 1.00 0.00 N ATOM 0 H ARG A 95 4.417 -2.912 2.489 1.00 0.00 H new ATOM 0 HA ARG A 95 2.397 -3.747 4.391 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.158 -4.393 5.288 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.646 -5.203 5.649 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.751 -6.557 3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.800 -5.451 2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.859 -7.619 3.775 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.722 -6.123 4.073 1.00 0.00 H new ATOM 0 HE ARG A 95 5.355 -6.274 6.374 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.953 -8.848 4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.324 -9.795 5.988 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.844 -7.497 8.213 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.699 -9.035 8.053 1.00 0.00 H new ATOM 1526 N ILE A 96 3.772 -2.257 6.196 1.00 0.00 N ATOM 1527 CA ILE A 96 4.171 -1.092 6.968 1.00 0.00 C ATOM 1528 C ILE A 96 4.852 -1.527 8.262 1.00 0.00 C ATOM 1529 O ILE A 96 4.747 -2.684 8.659 1.00 0.00 O ATOM 1530 CB ILE A 96 2.964 -0.197 7.292 1.00 0.00 C ATOM 1531 CG1 ILE A 96 2.156 0.058 6.023 1.00 0.00 C ATOM 1532 CG2 ILE A 96 3.423 1.117 7.910 1.00 0.00 C ATOM 1533 CD1 ILE A 96 0.815 0.684 6.293 1.00 0.00 C ATOM 0 H ILE A 96 3.385 -3.017 6.755 1.00 0.00 H new ATOM 0 HA ILE A 96 4.872 -0.515 6.365 1.00 0.00 H new ATOM 0 HB ILE A 96 2.330 -0.707 8.017 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.727 0.708 5.360 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.011 -0.885 5.496 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.555 1.737 8.133 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.970 0.915 8.831 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.073 1.641 7.210 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.290 0.840 5.351 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.227 0.024 6.931 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.955 1.642 6.793 1.00 0.00 H new ATOM 1545 N GLN A 97 5.546 -0.601 8.912 1.00 0.00 N ATOM 1546 CA GLN A 97 6.241 -0.910 10.161 1.00 0.00 C ATOM 1547 C GLN A 97 6.007 0.180 11.212 1.00 0.00 C ATOM 1548 O GLN A 97 5.491 1.254 10.897 1.00 0.00 O ATOM 1549 CB GLN A 97 7.739 -1.082 9.891 1.00 0.00 C ATOM 1550 CG GLN A 97 8.235 -2.510 10.038 1.00 0.00 C ATOM 1551 CD GLN A 97 9.263 -2.665 11.141 1.00 0.00 C ATOM 1552 OE1 GLN A 97 9.145 -2.058 12.204 1.00 0.00 O ATOM 1553 NE2 GLN A 97 10.276 -3.488 10.895 1.00 0.00 N ATOM 0 H GLN A 97 5.644 0.365 8.600 1.00 0.00 H new ATOM 0 HA GLN A 97 5.838 -1.842 10.557 1.00 0.00 H new ATOM 0 HB2 GLN A 97 7.958 -0.735 8.881 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.297 -0.443 10.575 1.00 0.00 H new ATOM 0 HG2 GLN A 97 7.388 -3.165 10.243 1.00 0.00 H new ATOM 0 HG3 GLN A 97 8.670 -2.838 9.094 1.00 0.00 H new ATOM 0 HE21 GLN A 97 10.334 -3.971 9.999 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.996 -3.637 11.602 1.00 0.00 H new ATOM 1562 N ASP A 98 6.379 -0.102 12.464 1.00 0.00 N ATOM 1563 CA ASP A 98 6.193 0.864 13.548 1.00 0.00 C ATOM 1564 C ASP A 98 6.914 0.439 14.820 1.00 0.00 C ATOM 1565 O ASP A 98 6.817 -0.709 15.256 1.00 0.00 O ATOM 1566 CB ASP A 98 4.704 1.040 13.839 1.00 0.00 C ATOM 1567 CG ASP A 98 4.435 1.826 15.111 1.00 0.00 C ATOM 1568 OD1 ASP A 98 5.317 2.611 15.524 1.00 0.00 O ATOM 1569 OD2 ASP A 98 3.344 1.657 15.692 1.00 0.00 O ATOM 0 H ASP A 98 6.807 -0.983 12.749 1.00 0.00 H new ATOM 0 HA ASP A 98 6.623 1.810 13.220 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.233 1.549 12.998 1.00 0.00 H new ATOM 0 HB3 ASP A 98 4.237 0.058 13.920 1.00 0.00 H new ATOM 1574 N GLY A 99 7.626 1.385 15.422 1.00 0.00 N ATOM 1575 CA GLY A 99 8.341 1.110 16.650 1.00 0.00 C ATOM 1576 C GLY A 99 9.600 0.286 16.444 1.00 0.00 C ATOM 1577 O GLY A 99 10.428 0.205 17.345 1.00 0.00 O ATOM 0 H GLY A 99 7.720 2.341 15.078 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.607 2.054 17.126 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.679 0.583 17.337 1.00 0.00 H new ATOM 1581 N THR A 100 9.730 -0.340 15.268 1.00 0.00 N ATOM 1582 CA THR A 100 10.880 -1.189 14.939 1.00 0.00 C ATOM 1583 C THR A 100 10.601 -2.642 15.335 1.00 0.00 C ATOM 1584 O THR A 100 11.520 -3.446 15.495 1.00 0.00 O ATOM 1585 CB THR A 100 12.178 -0.655 15.595 1.00 0.00 C ATOM 1586 OG1 THR A 100 13.275 -0.790 14.706 1.00 0.00 O ATOM 1587 CG2 THR A 100 12.569 -1.326 16.909 1.00 0.00 C ATOM 0 H THR A 100 9.041 -0.272 14.519 1.00 0.00 H new ATOM 0 HA THR A 100 11.033 -1.159 13.860 1.00 0.00 H new ATOM 0 HB THR A 100 11.951 0.387 15.819 1.00 0.00 H new ATOM 0 HG1 THR A 100 14.087 -0.447 15.134 1.00 0.00 H new ATOM 0 HG21 THR A 100 13.490 -0.881 17.285 1.00 0.00 H new ATOM 0 HG22 THR A 100 11.773 -1.186 17.640 1.00 0.00 H new ATOM 0 HG23 THR A 100 12.724 -2.392 16.741 1.00 0.00 H new ATOM 1595 N GLY A 101 9.318 -2.974 15.482 1.00 0.00 N ATOM 1596 CA GLY A 101 8.940 -4.324 15.856 1.00 0.00 C ATOM 1597 C GLY A 101 7.479 -4.654 15.575 1.00 0.00 C ATOM 1598 O GLY A 101 6.998 -5.712 15.976 1.00 0.00 O ATOM 0 H GLY A 101 8.537 -2.332 15.348 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.572 -5.030 15.318 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.137 -4.465 16.919 1.00 0.00 H new ATOM 1602 N ARG A 102 6.776 -3.767 14.873 1.00 0.00 N ATOM 1603 CA ARG A 102 5.374 -4.003 14.535 1.00 0.00 C ATOM 1604 C ARG A 102 5.123 -3.664 13.067 1.00 0.00 C ATOM 1605 O ARG A 102 5.241 -2.509 12.659 1.00 0.00 O ATOM 1606 CB ARG A 102 4.445 -3.183 15.439 1.00 0.00 C ATOM 1607 CG ARG A 102 3.456 -4.039 16.222 1.00 0.00 C ATOM 1608 CD ARG A 102 2.898 -3.306 17.434 1.00 0.00 C ATOM 1609 NE ARG A 102 1.965 -4.140 18.195 1.00 0.00 N ATOM 1610 CZ ARG A 102 1.017 -3.657 18.999 1.00 0.00 C ATOM 1611 NH1 ARG A 102 0.875 -2.348 19.159 1.00 0.00 N ATOM 1612 NH2 ARG A 102 0.210 -4.487 19.650 1.00 0.00 N ATOM 0 H ARG A 102 7.152 -2.883 14.529 1.00 0.00 H new ATOM 0 HA ARG A 102 5.156 -5.059 14.697 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.048 -2.605 16.139 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.893 -2.469 14.828 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.635 -4.334 15.568 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.949 -4.955 16.548 1.00 0.00 H new ATOM 0 HD2 ARG A 102 3.719 -2.997 18.081 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.390 -2.398 17.107 1.00 0.00 H new ATOM 0 HE ARG A 102 2.045 -5.153 18.104 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.493 -1.704 18.666 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.148 -1.985 19.776 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.315 -5.495 19.535 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -0.515 -4.116 20.265 1.00 0.00 H new ATOM 1626 N SER A 103 4.795 -4.682 12.275 1.00 0.00 N ATOM 1627 CA SER A 103 4.548 -4.492 10.847 1.00 0.00 C ATOM 1628 C SER A 103 3.417 -5.383 10.347 1.00 0.00 C ATOM 1629 O SER A 103 3.341 -6.558 10.708 1.00 0.00 O ATOM 1630 CB SER A 103 5.816 -4.811 10.050 1.00 0.00 C ATOM 1631 OG SER A 103 6.886 -5.169 10.908 1.00 0.00 O ATOM 0 H SER A 103 4.694 -5.645 12.596 1.00 0.00 H new ATOM 0 HA SER A 103 4.260 -3.451 10.702 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.616 -5.626 9.355 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.100 -3.945 9.452 1.00 0.00 H new ATOM 0 HG SER A 103 7.715 -5.229 10.389 1.00 0.00 H new ATOM 1637 N ALA A 104 2.552 -4.832 9.497 1.00 0.00 N ATOM 1638 CA ALA A 104 1.444 -5.593 8.930 1.00 0.00 C ATOM 1639 C ALA A 104 1.663 -5.808 7.433 1.00 0.00 C ATOM 1640 O ALA A 104 1.984 -4.868 6.708 1.00 0.00 O ATOM 1641 CB ALA A 104 0.123 -4.875 9.174 1.00 0.00 C ATOM 0 H ALA A 104 2.599 -3.861 9.187 1.00 0.00 H new ATOM 0 HA ALA A 104 1.403 -6.565 9.421 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.692 -5.457 8.744 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.037 -4.763 10.246 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.152 -3.891 8.706 1.00 0.00 H new ATOM 1647 N PHE A 105 1.492 -7.048 6.975 1.00 0.00 N ATOM 1648 CA PHE A 105 1.683 -7.382 5.564 1.00 0.00 C ATOM 1649 C PHE A 105 0.344 -7.669 4.900 1.00 0.00 C ATOM 1650 O PHE A 105 -0.523 -8.317 5.485 1.00 0.00 O ATOM 1651 CB PHE A 105 2.620 -8.595 5.440 1.00 0.00 C ATOM 1652 CG PHE A 105 2.592 -9.285 4.099 1.00 0.00 C ATOM 1653 CD1 PHE A 105 1.618 -10.225 3.805 1.00 0.00 C ATOM 1654 CD2 PHE A 105 3.550 -9.001 3.139 1.00 0.00 C ATOM 1655 CE1 PHE A 105 1.604 -10.866 2.581 1.00 0.00 C ATOM 1656 CE2 PHE A 105 3.539 -9.637 1.915 1.00 0.00 C ATOM 1657 CZ PHE A 105 2.565 -10.572 1.636 1.00 0.00 C ATOM 0 H PHE A 105 1.221 -7.838 7.561 1.00 0.00 H new ATOM 0 HA PHE A 105 2.138 -6.532 5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.640 -8.270 5.644 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.357 -9.319 6.211 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.862 -10.459 4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 105 4.317 -8.271 3.352 1.00 0.00 H new ATOM 0 HE1 PHE A 105 0.840 -11.598 2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.292 -9.403 1.177 1.00 0.00 H new ATOM 0 HZ PHE A 105 2.554 -11.073 0.679 1.00 0.00 H new ATOM 1667 N ILE A 106 0.175 -7.170 3.677 1.00 0.00 N ATOM 1668 CA ILE A 106 -1.066 -7.356 2.945 1.00 0.00 C ATOM 1669 C ILE A 106 -0.793 -7.548 1.456 1.00 0.00 C ATOM 1670 O ILE A 106 0.294 -7.239 0.972 1.00 0.00 O ATOM 1671 CB ILE A 106 -2.010 -6.148 3.124 1.00 0.00 C ATOM 1672 CG1 ILE A 106 -1.907 -5.588 4.549 1.00 0.00 C ATOM 1673 CG2 ILE A 106 -3.444 -6.540 2.808 1.00 0.00 C ATOM 1674 CD1 ILE A 106 -2.535 -6.480 5.600 1.00 0.00 C ATOM 0 H ILE A 106 0.884 -6.635 3.176 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.545 -8.248 3.349 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.704 -5.368 2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.856 -5.436 4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.387 -4.610 4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.095 -5.676 2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.507 -6.888 1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.760 -7.338 3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.424 -6.020 6.582 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.594 -6.612 5.379 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.040 -7.451 5.596 1.00 0.00 H new ATOM 1686 N GLY A 107 -1.788 -8.051 0.737 1.00 0.00 N ATOM 1687 CA GLY A 107 -1.630 -8.267 -0.690 1.00 0.00 C ATOM 1688 C GLY A 107 -2.549 -7.389 -1.511 1.00 0.00 C ATOM 1689 O GLY A 107 -3.723 -7.225 -1.181 1.00 0.00 O ATOM 0 H GLY A 107 -2.699 -8.313 1.114 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.596 -8.070 -0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.830 -9.313 -0.921 1.00 0.00 H new ATOM 1693 N ILE A 108 -2.014 -6.820 -2.585 1.00 0.00 N ATOM 1694 CA ILE A 108 -2.794 -5.953 -3.459 1.00 0.00 C ATOM 1695 C ILE A 108 -2.545 -6.291 -4.924 1.00 0.00 C ATOM 1696 O ILE A 108 -1.436 -6.672 -5.302 1.00 0.00 O ATOM 1697 CB ILE A 108 -2.458 -4.467 -3.218 1.00 0.00 C ATOM 1698 CG1 ILE A 108 -2.673 -4.096 -1.748 1.00 0.00 C ATOM 1699 CG2 ILE A 108 -3.291 -3.573 -4.126 1.00 0.00 C ATOM 1700 CD1 ILE A 108 -1.791 -2.959 -1.283 1.00 0.00 C ATOM 0 H ILE A 108 -1.043 -6.944 -2.871 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.845 -6.121 -3.224 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.406 -4.312 -3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.717 -3.821 -1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.482 -4.972 -1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -3.038 -2.529 -3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -3.082 -3.817 -5.168 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.350 -3.732 -3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.994 -2.747 -0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.744 -3.239 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.998 -2.070 -1.879 1.00 0.00 H new ATOM 1712 N GLY A 109 -3.581 -6.159 -5.744 1.00 0.00 N ATOM 1713 CA GLY A 109 -3.449 -6.464 -7.155 1.00 0.00 C ATOM 1714 C GLY A 109 -4.659 -6.040 -7.961 1.00 0.00 C ATOM 1715 O GLY A 109 -5.561 -5.378 -7.444 1.00 0.00 O ATOM 0 H GLY A 109 -4.509 -5.847 -5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.563 -5.966 -7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.293 -7.536 -7.278 1.00 0.00 H new ATOM 1719 N PHE A 110 -4.674 -6.418 -9.233 1.00 0.00 N ATOM 1720 CA PHE A 110 -5.771 -6.065 -10.122 1.00 0.00 C ATOM 1721 C PHE A 110 -5.925 -7.089 -11.245 1.00 0.00 C ATOM 1722 O PHE A 110 -4.949 -7.685 -11.697 1.00 0.00 O ATOM 1723 CB PHE A 110 -5.531 -4.677 -10.718 1.00 0.00 C ATOM 1724 CG PHE A 110 -5.400 -3.598 -9.683 1.00 0.00 C ATOM 1725 CD1 PHE A 110 -6.496 -3.210 -8.933 1.00 0.00 C ATOM 1726 CD2 PHE A 110 -4.183 -2.972 -9.458 1.00 0.00 C ATOM 1727 CE1 PHE A 110 -6.383 -2.220 -7.977 1.00 0.00 C ATOM 1728 CE2 PHE A 110 -4.064 -1.980 -8.502 1.00 0.00 C ATOM 1729 CZ PHE A 110 -5.166 -1.603 -7.761 1.00 0.00 C ATOM 0 H PHE A 110 -3.937 -6.970 -9.672 1.00 0.00 H new ATOM 0 HA PHE A 110 -6.691 -6.059 -9.538 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -4.625 -4.701 -11.323 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -6.355 -4.430 -11.387 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.451 -3.687 -9.097 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -3.318 -3.263 -10.036 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -7.247 -1.928 -7.398 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -3.110 -1.501 -8.335 1.00 0.00 H new ATOM 0 HZ PHE A 110 -5.077 -0.828 -7.014 1.00 0.00 H new ATOM 1739 N THR A 111 -7.164 -7.276 -11.694 1.00 0.00 N ATOM 1740 CA THR A 111 -7.455 -8.217 -12.774 1.00 0.00 C ATOM 1741 C THR A 111 -6.735 -7.819 -14.063 1.00 0.00 C ATOM 1742 O THR A 111 -6.710 -8.587 -15.025 1.00 0.00 O ATOM 1743 CB THR A 111 -8.965 -8.308 -13.035 1.00 0.00 C ATOM 1744 OG1 THR A 111 -9.574 -7.028 -12.988 1.00 0.00 O ATOM 1745 CG2 THR A 111 -9.692 -9.206 -12.055 1.00 0.00 C ATOM 0 H THR A 111 -7.982 -6.789 -11.327 1.00 0.00 H new ATOM 0 HA THR A 111 -7.092 -9.195 -12.457 1.00 0.00 H new ATOM 0 HB THR A 111 -9.052 -8.741 -14.032 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.535 -7.116 -13.159 1.00 0.00 H new ATOM 0 HG21 THR A 111 -10.754 -9.224 -12.298 1.00 0.00 H new ATOM 0 HG22 THR A 111 -9.288 -10.216 -12.118 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.558 -8.824 -11.043 1.00 0.00 H new ATOM 1753 N ASP A 112 -6.147 -6.622 -14.082 1.00 0.00 N ATOM 1754 CA ASP A 112 -5.427 -6.143 -15.254 1.00 0.00 C ATOM 1755 C ASP A 112 -4.318 -5.179 -14.846 1.00 0.00 C ATOM 1756 O ASP A 112 -4.155 -4.867 -13.667 1.00 0.00 O ATOM 1757 CB ASP A 112 -6.389 -5.456 -16.226 1.00 0.00 C ATOM 1758 CG ASP A 112 -6.323 -6.040 -17.623 1.00 0.00 C ATOM 1759 OD1 ASP A 112 -5.392 -6.829 -17.897 1.00 0.00 O ATOM 1760 OD2 ASP A 112 -7.201 -5.708 -18.446 1.00 0.00 O ATOM 0 H ASP A 112 -6.157 -5.970 -13.298 1.00 0.00 H new ATOM 0 HA ASP A 112 -4.976 -7.001 -15.753 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.407 -5.545 -15.847 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -6.157 -4.392 -16.270 1.00 0.00 H new ATOM 1765 N ARG A 113 -3.561 -4.706 -15.831 1.00 0.00 N ATOM 1766 CA ARG A 113 -2.470 -3.774 -15.575 1.00 0.00 C ATOM 1767 C ARG A 113 -2.966 -2.327 -15.592 1.00 0.00 C ATOM 1768 O ARG A 113 -2.167 -1.390 -15.583 1.00 0.00 O ATOM 1769 CB ARG A 113 -1.364 -3.960 -16.616 1.00 0.00 C ATOM 1770 CG ARG A 113 -0.014 -4.322 -16.014 1.00 0.00 C ATOM 1771 CD ARG A 113 0.844 -5.101 -16.998 1.00 0.00 C ATOM 1772 NE ARG A 113 1.730 -6.048 -16.323 1.00 0.00 N ATOM 1773 CZ ARG A 113 2.845 -5.696 -15.683 1.00 0.00 C ATOM 1774 NH1 ARG A 113 3.210 -4.422 -15.621 1.00 0.00 N ATOM 1775 NH2 ARG A 113 3.598 -6.622 -15.104 1.00 0.00 N ATOM 0 H ARG A 113 -3.683 -4.953 -16.813 1.00 0.00 H new ATOM 0 HA ARG A 113 -2.070 -3.985 -14.583 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.662 -4.742 -17.315 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -1.261 -3.040 -17.192 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.508 -3.413 -15.715 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.164 -4.915 -15.112 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.200 -5.640 -17.693 1.00 0.00 H new ATOM 0 HD3 ARG A 113 1.440 -4.405 -17.589 1.00 0.00 H new ATOM 0 HE ARG A 113 1.480 -7.037 -16.343 1.00 0.00 H new ATOM 0 HH11 ARG A 113 2.636 -3.705 -16.065 1.00 0.00 H new ATOM 0 HH12 ARG A 113 4.064 -4.160 -15.130 1.00 0.00 H new ATOM 0 HH21 ARG A 113 3.324 -7.603 -15.149 1.00 0.00 H new ATOM 0 HH22 ARG A 113 4.451 -6.353 -14.614 1.00 0.00 H new ATOM 1789 N GLY A 114 -4.286 -2.150 -15.614 1.00 0.00 N ATOM 1790 CA GLY A 114 -4.854 -0.815 -15.630 1.00 0.00 C ATOM 1791 C GLY A 114 -4.705 -0.105 -14.301 1.00 0.00 C ATOM 1792 O GLY A 114 -3.946 0.857 -14.186 1.00 0.00 O ATOM 0 H GLY A 114 -4.970 -2.907 -15.621 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -4.369 -0.227 -16.409 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -5.911 -0.877 -15.889 1.00 0.00 H new ATOM 1796 N ASP A 115 -5.430 -0.579 -13.291 1.00 0.00 N ATOM 1797 CA ASP A 115 -5.371 0.021 -11.964 1.00 0.00 C ATOM 1798 C ASP A 115 -3.938 0.050 -11.446 1.00 0.00 C ATOM 1799 O ASP A 115 -3.495 1.044 -10.873 1.00 0.00 O ATOM 1800 CB ASP A 115 -6.266 -0.752 -10.989 1.00 0.00 C ATOM 1801 CG ASP A 115 -7.426 0.082 -10.476 1.00 0.00 C ATOM 1802 OD1 ASP A 115 -7.523 1.268 -10.857 1.00 0.00 O ATOM 1803 OD2 ASP A 115 -8.237 -0.452 -9.690 1.00 0.00 O ATOM 0 H ASP A 115 -6.063 -1.375 -13.367 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.732 1.047 -12.039 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.654 -1.642 -11.485 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.667 -1.094 -10.145 1.00 0.00 H new ATOM 1808 N ALA A 116 -3.217 -1.049 -11.654 1.00 0.00 N ATOM 1809 CA ALA A 116 -1.830 -1.155 -11.212 1.00 0.00 C ATOM 1810 C ALA A 116 -1.020 0.070 -11.629 1.00 0.00 C ATOM 1811 O ALA A 116 -0.495 0.796 -10.789 1.00 0.00 O ATOM 1812 CB ALA A 116 -1.197 -2.423 -11.764 1.00 0.00 C ATOM 0 H ALA A 116 -3.572 -1.880 -12.127 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.826 -1.203 -10.123 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.163 -2.490 -11.427 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -1.752 -3.291 -11.408 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.223 -2.398 -12.853 1.00 0.00 H new ATOM 1818 N PHE A 117 -0.923 0.298 -12.935 1.00 0.00 N ATOM 1819 CA PHE A 117 -0.176 1.441 -13.452 1.00 0.00 C ATOM 1820 C PHE A 117 -0.537 2.716 -12.695 1.00 0.00 C ATOM 1821 O PHE A 117 0.309 3.319 -12.036 1.00 0.00 O ATOM 1822 CB PHE A 117 -0.454 1.625 -14.946 1.00 0.00 C ATOM 1823 CG PHE A 117 0.232 2.821 -15.543 1.00 0.00 C ATOM 1824 CD1 PHE A 117 -0.292 4.093 -15.375 1.00 0.00 C ATOM 1825 CD2 PHE A 117 1.400 2.673 -16.272 1.00 0.00 C ATOM 1826 CE1 PHE A 117 0.337 5.194 -15.922 1.00 0.00 C ATOM 1827 CE2 PHE A 117 2.033 3.771 -16.823 1.00 0.00 C ATOM 1828 CZ PHE A 117 1.501 5.033 -16.647 1.00 0.00 C ATOM 0 H PHE A 117 -1.349 -0.289 -13.652 1.00 0.00 H new ATOM 0 HA PHE A 117 0.886 1.244 -13.308 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -0.135 0.730 -15.479 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -1.529 1.720 -15.098 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -1.203 4.225 -14.810 1.00 0.00 H new ATOM 0 HD2 PHE A 117 1.821 1.688 -16.412 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -0.081 6.180 -15.783 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.943 3.642 -17.391 1.00 0.00 H new ATOM 0 HZ PHE A 117 1.995 5.893 -17.076 1.00 0.00 H new ATOM 1838 N ASP A 118 -1.799 3.119 -12.800 1.00 0.00 N ATOM 1839 CA ASP A 118 -2.278 4.326 -12.131 1.00 0.00 C ATOM 1840 C ASP A 118 -1.952 4.303 -10.638 1.00 0.00 C ATOM 1841 O ASP A 118 -1.503 5.304 -10.082 1.00 0.00 O ATOM 1842 CB ASP A 118 -3.785 4.491 -12.345 1.00 0.00 C ATOM 1843 CG ASP A 118 -4.107 5.629 -13.294 1.00 0.00 C ATOM 1844 OD1 ASP A 118 -3.275 5.916 -14.181 1.00 0.00 O ATOM 1845 OD2 ASP A 118 -5.189 6.233 -13.149 1.00 0.00 O ATOM 0 H ASP A 118 -2.510 2.628 -13.342 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.763 5.179 -12.572 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.198 3.563 -12.740 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.269 4.672 -11.385 1.00 0.00 H new ATOM 1850 N PHE A 119 -2.180 3.165 -9.990 1.00 0.00 N ATOM 1851 CA PHE A 119 -1.899 3.038 -8.562 1.00 0.00 C ATOM 1852 C PHE A 119 -0.403 3.237 -8.297 1.00 0.00 C ATOM 1853 O PHE A 119 -0.018 3.979 -7.393 1.00 0.00 O ATOM 1854 CB PHE A 119 -2.392 1.676 -8.038 1.00 0.00 C ATOM 1855 CG PHE A 119 -1.363 0.878 -7.283 1.00 0.00 C ATOM 1856 CD1 PHE A 119 -0.520 0.010 -7.951 1.00 0.00 C ATOM 1857 CD2 PHE A 119 -1.241 1.000 -5.908 1.00 0.00 C ATOM 1858 CE1 PHE A 119 0.428 -0.722 -7.268 1.00 0.00 C ATOM 1859 CE2 PHE A 119 -0.293 0.268 -5.217 1.00 0.00 C ATOM 1860 CZ PHE A 119 0.541 -0.595 -5.899 1.00 0.00 C ATOM 0 H PHE A 119 -2.556 2.323 -10.426 1.00 0.00 H new ATOM 0 HA PHE A 119 -2.439 3.815 -8.021 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -3.251 1.842 -7.388 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.742 1.083 -8.883 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -0.605 -0.096 -9.022 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -1.893 1.673 -5.371 1.00 0.00 H new ATOM 0 HE1 PHE A 119 1.081 -1.394 -7.804 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.205 0.371 -4.146 1.00 0.00 H new ATOM 0 HZ PHE A 119 1.281 -1.170 -5.362 1.00 0.00 H new ATOM 1870 N ASN A 120 0.433 2.575 -9.094 1.00 0.00 N ATOM 1871 CA ASN A 120 1.883 2.683 -8.951 1.00 0.00 C ATOM 1872 C ASN A 120 2.350 4.140 -9.035 1.00 0.00 C ATOM 1873 O ASN A 120 2.847 4.694 -8.054 1.00 0.00 O ATOM 1874 CB ASN A 120 2.583 1.849 -10.027 1.00 0.00 C ATOM 1875 CG ASN A 120 3.462 0.764 -9.436 1.00 0.00 C ATOM 1876 OD1 ASN A 120 4.641 0.987 -9.156 1.00 0.00 O ATOM 1877 ND2 ASN A 120 2.893 -0.420 -9.243 1.00 0.00 N ATOM 0 H ASN A 120 0.130 1.957 -9.847 1.00 0.00 H new ATOM 0 HA ASN A 120 2.148 2.300 -7.965 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.834 1.393 -10.674 1.00 0.00 H new ATOM 0 HB3 ASN A 120 3.190 2.504 -10.653 1.00 0.00 H new ATOM 0 HD21 ASN A 120 3.436 -1.188 -8.849 1.00 0.00 H new ATOM 0 HD22 ASN A 120 1.913 -0.561 -9.489 1.00 0.00 H new ATOM 1884 N VAL A 121 2.194 4.754 -10.212 1.00 0.00 N ATOM 1885 CA VAL A 121 2.611 6.144 -10.416 1.00 0.00 C ATOM 1886 C VAL A 121 2.147 7.047 -9.275 1.00 0.00 C ATOM 1887 O VAL A 121 2.817 8.022 -8.933 1.00 0.00 O ATOM 1888 CB VAL A 121 2.084 6.719 -11.748 1.00 0.00 C ATOM 1889 CG1 VAL A 121 2.927 6.233 -12.916 1.00 0.00 C ATOM 1890 CG2 VAL A 121 0.621 6.363 -11.953 1.00 0.00 C ATOM 0 H VAL A 121 1.784 4.312 -11.035 1.00 0.00 H new ATOM 0 HA VAL A 121 3.701 6.126 -10.443 1.00 0.00 H new ATOM 0 HB VAL A 121 2.162 7.805 -11.701 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.537 6.651 -13.844 1.00 0.00 H new ATOM 0 HG12 VAL A 121 3.959 6.555 -12.778 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.889 5.145 -12.964 1.00 0.00 H new ATOM 0 HG21 VAL A 121 0.274 6.780 -12.898 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.510 5.279 -11.972 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.028 6.775 -11.136 1.00 0.00 H new ATOM 1900 N SER A 122 1.002 6.718 -8.687 1.00 0.00 N ATOM 1901 CA SER A 122 0.464 7.505 -7.585 1.00 0.00 C ATOM 1902 C SER A 122 1.328 7.345 -6.340 1.00 0.00 C ATOM 1903 O SER A 122 1.793 8.328 -5.763 1.00 0.00 O ATOM 1904 CB SER A 122 -0.977 7.087 -7.283 1.00 0.00 C ATOM 1905 OG SER A 122 -1.016 5.987 -6.388 1.00 0.00 O ATOM 0 H SER A 122 0.431 5.916 -8.954 1.00 0.00 H new ATOM 0 HA SER A 122 0.470 8.554 -7.880 1.00 0.00 H new ATOM 0 HB2 SER A 122 -1.520 7.929 -6.853 1.00 0.00 H new ATOM 0 HB3 SER A 122 -1.484 6.822 -8.211 1.00 0.00 H new ATOM 0 HG SER A 122 -0.953 5.151 -6.895 1.00 0.00 H new ATOM 1911 N LEU A 123 1.541 6.097 -5.931 1.00 0.00 N ATOM 1912 CA LEU A 123 2.353 5.808 -4.755 1.00 0.00 C ATOM 1913 C LEU A 123 3.733 6.444 -4.881 1.00 0.00 C ATOM 1914 O LEU A 123 4.321 6.864 -3.890 1.00 0.00 O ATOM 1915 CB LEU A 123 2.491 4.296 -4.557 1.00 0.00 C ATOM 1916 CG LEU A 123 3.168 3.870 -3.251 1.00 0.00 C ATOM 1917 CD1 LEU A 123 2.246 4.114 -2.066 1.00 0.00 C ATOM 1918 CD2 LEU A 123 3.577 2.406 -3.316 1.00 0.00 C ATOM 0 H LEU A 123 1.163 5.272 -6.396 1.00 0.00 H new ATOM 0 HA LEU A 123 1.852 6.234 -3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.498 3.848 -4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 123 3.059 3.886 -5.393 1.00 0.00 H new ATOM 0 HG LEU A 123 4.066 4.473 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.745 3.805 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 123 2.002 5.175 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.330 3.537 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.056 2.120 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 123 2.693 1.788 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 123 4.275 2.259 -4.140 1.00 0.00 H new ATOM 1930 N GLN A 124 4.243 6.513 -6.107 1.00 0.00 N ATOM 1931 CA GLN A 124 5.556 7.099 -6.356 1.00 0.00 C ATOM 1932 C GLN A 124 5.519 8.617 -6.208 1.00 0.00 C ATOM 1933 O GLN A 124 6.286 9.192 -5.435 1.00 0.00 O ATOM 1934 CB GLN A 124 6.051 6.723 -7.752 1.00 0.00 C ATOM 1935 CG GLN A 124 7.562 6.591 -7.845 1.00 0.00 C ATOM 1936 CD GLN A 124 7.996 5.314 -8.540 1.00 0.00 C ATOM 1937 OE1 GLN A 124 8.391 5.332 -9.705 1.00 0.00 O ATOM 1938 NE2 GLN A 124 7.923 4.197 -7.825 1.00 0.00 N ATOM 0 H GLN A 124 3.768 6.171 -6.942 1.00 0.00 H new ATOM 0 HA GLN A 124 6.246 6.699 -5.613 1.00 0.00 H new ATOM 0 HB2 GLN A 124 5.593 5.780 -8.049 1.00 0.00 H new ATOM 0 HB3 GLN A 124 5.716 7.478 -8.463 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.965 7.448 -8.384 1.00 0.00 H new ATOM 0 HG3 GLN A 124 7.987 6.617 -6.842 1.00 0.00 H new ATOM 0 HE21 GLN A 124 7.589 4.229 -6.862 1.00 0.00 H new ATOM 0 HE22 GLN A 124 8.201 3.307 -8.239 1.00 0.00 H new ATOM 1947 N ASP A 125 4.623 9.263 -6.951 1.00 0.00 N ATOM 1948 CA ASP A 125 4.488 10.717 -6.900 1.00 0.00 C ATOM 1949 C ASP A 125 4.355 11.203 -5.458 1.00 0.00 C ATOM 1950 O ASP A 125 5.005 12.167 -5.050 1.00 0.00 O ATOM 1951 CB ASP A 125 3.272 11.161 -7.721 1.00 0.00 C ATOM 1952 CG ASP A 125 3.619 11.431 -9.173 1.00 0.00 C ATOM 1953 OD1 ASP A 125 4.539 10.766 -9.696 1.00 0.00 O ATOM 1954 OD2 ASP A 125 2.973 12.304 -9.788 1.00 0.00 O ATOM 0 H ASP A 125 3.980 8.803 -7.595 1.00 0.00 H new ATOM 0 HA ASP A 125 5.388 11.159 -7.327 1.00 0.00 H new ATOM 0 HB2 ASP A 125 2.503 10.390 -7.672 1.00 0.00 H new ATOM 0 HB3 ASP A 125 2.848 12.062 -7.278 1.00 0.00 H new ATOM 1959 N HIS A 126 3.500 10.532 -4.698 1.00 0.00 N ATOM 1960 CA HIS A 126 3.258 10.880 -3.306 1.00 0.00 C ATOM 1961 C HIS A 126 4.445 10.521 -2.411 1.00 0.00 C ATOM 1962 O HIS A 126 4.903 11.341 -1.616 1.00 0.00 O ATOM 1963 CB HIS A 126 1.996 10.169 -2.821 1.00 0.00 C ATOM 1964 CG HIS A 126 0.742 10.878 -3.220 1.00 0.00 C ATOM 1965 ND1 HIS A 126 -0.219 10.323 -4.038 1.00 0.00 N ATOM 1966 CD2 HIS A 126 0.306 12.119 -2.920 1.00 0.00 C ATOM 1967 CE1 HIS A 126 -1.193 11.196 -4.225 1.00 0.00 C ATOM 1968 NE2 HIS A 126 -0.899 12.297 -3.556 1.00 0.00 N ATOM 0 H HIS A 126 2.957 9.734 -5.028 1.00 0.00 H new ATOM 0 HA HIS A 126 3.124 11.960 -3.244 1.00 0.00 H new ATOM 0 HB2 HIS A 126 1.978 9.156 -3.222 1.00 0.00 H new ATOM 0 HB3 HIS A 126 2.029 10.081 -1.735 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -0.184 9.385 -4.437 1.00 0.00 H new ATOM 0 HD2 HIS A 126 0.811 12.840 -2.295 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.078 11.037 -4.823 1.00 0.00 H new ATOM 1976 N PHE A 127 4.934 9.287 -2.534 1.00 0.00 N ATOM 1977 CA PHE A 127 6.062 8.818 -1.726 1.00 0.00 C ATOM 1978 C PHE A 127 7.186 9.851 -1.681 1.00 0.00 C ATOM 1979 O PHE A 127 7.434 10.466 -0.644 1.00 0.00 O ATOM 1980 CB PHE A 127 6.591 7.491 -2.276 1.00 0.00 C ATOM 1981 CG PHE A 127 7.500 6.754 -1.332 1.00 0.00 C ATOM 1982 CD1 PHE A 127 8.813 7.158 -1.147 1.00 0.00 C ATOM 1983 CD2 PHE A 127 7.040 5.647 -0.635 1.00 0.00 C ATOM 1984 CE1 PHE A 127 9.649 6.475 -0.285 1.00 0.00 C ATOM 1985 CE2 PHE A 127 7.871 4.960 0.230 1.00 0.00 C ATOM 1986 CZ PHE A 127 9.177 5.374 0.405 1.00 0.00 C ATOM 0 H PHE A 127 4.567 8.593 -3.185 1.00 0.00 H new ATOM 0 HA PHE A 127 5.702 8.668 -0.708 1.00 0.00 H new ATOM 0 HB2 PHE A 127 5.745 6.850 -2.524 1.00 0.00 H new ATOM 0 HB3 PHE A 127 7.128 7.683 -3.205 1.00 0.00 H new ATOM 0 HD1 PHE A 127 9.187 8.017 -1.683 1.00 0.00 H new ATOM 0 HD2 PHE A 127 6.020 5.318 -0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 127 10.670 6.801 -0.150 1.00 0.00 H new ATOM 0 HE2 PHE A 127 7.500 4.101 0.768 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.828 4.838 1.080 1.00 0.00 H new ATOM 1996 N LYS A 128 7.863 10.039 -2.810 1.00 0.00 N ATOM 1997 CA LYS A 128 8.957 11.001 -2.890 1.00 0.00 C ATOM 1998 C LYS A 128 8.436 12.387 -3.260 1.00 0.00 C ATOM 1999 O LYS A 128 7.252 12.558 -3.548 1.00 0.00 O ATOM 2000 CB LYS A 128 9.997 10.547 -3.915 1.00 0.00 C ATOM 2001 CG LYS A 128 10.546 9.154 -3.658 1.00 0.00 C ATOM 2002 CD LYS A 128 11.252 8.602 -4.884 1.00 0.00 C ATOM 2003 CE LYS A 128 12.709 9.033 -4.930 1.00 0.00 C ATOM 2004 NZ LYS A 128 12.864 10.431 -5.425 1.00 0.00 N ATOM 0 H LYS A 128 7.674 9.540 -3.679 1.00 0.00 H new ATOM 0 HA LYS A 128 9.427 11.056 -1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 128 9.549 10.573 -4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 128 10.823 11.258 -3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 128 11.241 9.184 -2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 128 9.732 8.487 -3.374 1.00 0.00 H new ATOM 0 HD2 LYS A 128 11.194 7.514 -4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 128 10.742 8.945 -5.784 1.00 0.00 H new ATOM 0 HE2 LYS A 128 13.143 8.951 -3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 128 13.267 8.356 -5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 13.762 10.518 -5.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 12.074 10.664 -6.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 12.865 11.087 -4.618 1.00 0.00 H new ATOM 2018 N TRP A 129 9.330 13.372 -3.251 1.00 0.00 N ATOM 2019 CA TRP A 129 8.963 14.743 -3.584 1.00 0.00 C ATOM 2020 C TRP A 129 9.032 14.974 -5.090 1.00 0.00 C ATOM 2021 O TRP A 129 10.116 15.019 -5.674 1.00 0.00 O ATOM 2022 CB TRP A 129 9.887 15.729 -2.869 1.00 0.00 C ATOM 2023 CG TRP A 129 9.817 15.642 -1.374 1.00 0.00 C ATOM 2024 CD1 TRP A 129 10.866 15.499 -0.514 1.00 0.00 C ATOM 2025 CD2 TRP A 129 8.637 15.696 -0.563 1.00 0.00 C ATOM 2026 NE1 TRP A 129 10.413 15.466 0.782 1.00 0.00 N ATOM 2027 CE2 TRP A 129 9.049 15.584 0.779 1.00 0.00 C ATOM 2028 CE3 TRP A 129 7.274 15.830 -0.840 1.00 0.00 C ATOM 2029 CZ2 TRP A 129 8.147 15.604 1.840 1.00 0.00 C ATOM 2030 CZ3 TRP A 129 6.380 15.850 0.214 1.00 0.00 C ATOM 2031 CH2 TRP A 129 6.819 15.739 1.539 1.00 0.00 C ATOM 0 H TRP A 129 10.314 13.245 -3.016 1.00 0.00 H new ATOM 0 HA TRP A 129 7.938 14.907 -3.253 1.00 0.00 H new ATOM 0 HB2 TRP A 129 10.914 15.548 -3.187 1.00 0.00 H new ATOM 0 HB3 TRP A 129 9.632 16.743 -3.178 1.00 0.00 H new ATOM 0 HD1 TRP A 129 11.902 15.423 -0.809 1.00 0.00 H new ATOM 0 HE1 TRP A 129 10.998 15.369 1.612 1.00 0.00 H new ATOM 0 HE3 TRP A 129 6.926 15.916 -1.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 8.483 15.516 2.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 5.324 15.953 0.012 1.00 0.00 H new ATOM 0 HH2 TRP A 129 6.095 15.760 2.340 1.00 0.00 H new