USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 755 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 92 GLN : amide:sc= -0.262 K(o=0.085,f=-2.2) USER MOD Set 1.2: A 94 THR OG1 : rot -160:sc= 0.347 USER MOD Set 2.1: A 89 SER OG : rot 180:sc= -0.0652 USER MOD Set 2.2: A 90 THR OG1 : rot 180:sc= 0.00412 USER MOD Set 3.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -169:sc=-0.00331 (180deg=-0.103) USER MOD Single : A 34 CYS SG : rot -120:sc= -0.995 USER MOD Single : A 35 GLN : amide:sc= -1.39 K(o=-1.4,f=-5.4!) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 25:sc= 0.369 USER MOD Single : A 46 LYS NZ :NH3+ -171:sc=-0.00367 (180deg=-0.0984) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 29:sc= 1.27 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0547 F(o=-1.7!,f=-0.055) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0972) USER MOD Single : A 62 MET CE :methyl -151:sc= -0.382 (180deg=-2.21!) USER MOD Single : A 63 SER OG : rot 180:sc= 0.122 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0282 USER MOD Single : A 71 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.18) USER MOD Single : A 74 TYR OH : rot 80:sc= -0.398 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0455 USER MOD Single : A 84 TYR OH : rot 34:sc= 1.24 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 90:sc= 0.246 USER MOD Single : A 93 GLN : amide:sc= -2.93! C(o=-2.9!,f=-5.5!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0.0513 K(o=0.051,f=-1.4) USER MOD Single : A 102 SER OG : rot -22:sc= 0.043 USER MOD Single : A 105 GLN : amide:sc= -0.0243 X(o=-0.024,f=-0.054) USER MOD Single : A 107 GLN :FLIP amide:sc= -0.34 F(o=-2.9!,f=-0.34) USER MOD Single : A 108 GLN : amide:sc= 1.12 K(o=1.1,f=-0.51) USER MOD Single : A 110 THR OG1 : rot -86:sc= 1.3 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 185 N PHE A 13 -4.788 -10.705 11.261 1.00 0.00 N ATOM 186 CA PHE A 13 -5.411 -9.617 10.535 1.00 0.00 C ATOM 187 C PHE A 13 -5.499 -9.960 9.055 1.00 0.00 C ATOM 188 O PHE A 13 -4.563 -10.514 8.473 1.00 0.00 O ATOM 189 CB PHE A 13 -4.641 -8.303 10.740 1.00 0.00 C ATOM 190 CG PHE A 13 -3.220 -8.331 10.247 1.00 0.00 C ATOM 191 CD1 PHE A 13 -2.233 -8.976 10.972 1.00 0.00 C ATOM 192 CD2 PHE A 13 -2.875 -7.712 9.058 1.00 0.00 C ATOM 193 CE1 PHE A 13 -0.930 -9.004 10.519 1.00 0.00 C ATOM 194 CE2 PHE A 13 -1.571 -7.735 8.601 1.00 0.00 C ATOM 195 CZ PHE A 13 -0.598 -8.382 9.333 1.00 0.00 C ATOM 0 HA PHE A 13 -6.419 -9.477 10.925 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.174 -7.501 10.230 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.639 -8.059 11.802 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.486 -9.463 11.902 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.634 -7.205 8.481 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.170 -9.513 11.093 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.315 -7.247 7.672 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.422 -8.402 8.979 1.00 0.00 H new ATOM 205 N SER A 14 -6.628 -9.641 8.460 1.00 0.00 N ATOM 206 CA SER A 14 -6.845 -9.887 7.049 1.00 0.00 C ATOM 207 C SER A 14 -6.791 -8.573 6.289 1.00 0.00 C ATOM 208 O SER A 14 -7.447 -7.607 6.669 1.00 0.00 O ATOM 209 CB SER A 14 -8.201 -10.572 6.845 1.00 0.00 C ATOM 210 OG SER A 14 -8.419 -10.908 5.484 1.00 0.00 O ATOM 0 H SER A 14 -7.418 -9.206 8.937 1.00 0.00 H new ATOM 0 HA SER A 14 -6.063 -10.544 6.668 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.248 -11.474 7.455 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.998 -9.912 7.189 1.00 0.00 H new ATOM 0 HG SER A 14 -9.292 -11.344 5.390 1.00 0.00 H new ATOM 216 N ILE A 15 -5.985 -8.525 5.240 1.00 0.00 N ATOM 217 CA ILE A 15 -5.897 -7.340 4.410 1.00 0.00 C ATOM 218 C ILE A 15 -5.993 -7.727 2.948 1.00 0.00 C ATOM 219 O ILE A 15 -5.058 -8.290 2.373 1.00 0.00 O ATOM 220 CB ILE A 15 -4.593 -6.544 4.649 1.00 0.00 C ATOM 221 CG1 ILE A 15 -4.506 -6.090 6.109 1.00 0.00 C ATOM 222 CG2 ILE A 15 -4.525 -5.343 3.711 1.00 0.00 C ATOM 223 CD1 ILE A 15 -3.268 -5.278 6.417 1.00 0.00 C ATOM 0 H ILE A 15 -5.383 -9.294 4.945 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.730 -6.693 4.685 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.744 -7.195 4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.388 -5.497 6.350 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.525 -6.967 6.756 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.602 -4.793 3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.546 -5.687 2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.378 -4.690 3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.273 -4.991 7.469 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.380 -5.875 6.208 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.257 -4.382 5.796 1.00 0.00 H new ATOM 235 N GLU A 16 -7.140 -7.457 2.362 1.00 0.00 N ATOM 236 CA GLU A 16 -7.355 -7.730 0.957 1.00 0.00 C ATOM 237 C GLU A 16 -7.308 -6.430 0.176 1.00 0.00 C ATOM 238 O GLU A 16 -7.581 -5.358 0.720 1.00 0.00 O ATOM 239 CB GLU A 16 -8.692 -8.442 0.745 1.00 0.00 C ATOM 240 CG GLU A 16 -9.879 -7.642 1.239 1.00 0.00 C ATOM 241 CD GLU A 16 -11.180 -8.404 1.134 1.00 0.00 C ATOM 242 OE1 GLU A 16 -11.439 -9.269 1.997 1.00 0.00 O ATOM 243 OE2 GLU A 16 -11.947 -8.150 0.182 1.00 0.00 O ATOM 0 H GLU A 16 -7.942 -7.046 2.840 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.565 -8.389 0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.820 -8.652 -0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.670 -9.403 1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.713 -7.357 2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.955 -6.720 0.663 1.00 0.00 H new ATOM 250 N THR A 17 -6.954 -6.526 -1.087 1.00 0.00 N ATOM 251 CA THR A 17 -6.814 -5.355 -1.929 1.00 0.00 C ATOM 252 C THR A 17 -7.781 -5.428 -3.107 1.00 0.00 C ATOM 253 O THR A 17 -8.053 -6.511 -3.636 1.00 0.00 O ATOM 254 CB THR A 17 -5.362 -5.224 -2.440 1.00 0.00 C ATOM 255 OG1 THR A 17 -4.957 -6.438 -3.087 1.00 0.00 O ATOM 256 CG2 THR A 17 -4.405 -4.923 -1.292 1.00 0.00 C ATOM 0 H THR A 17 -6.756 -7.409 -1.557 1.00 0.00 H new ATOM 0 HA THR A 17 -7.053 -4.474 -1.333 1.00 0.00 H new ATOM 0 HB THR A 17 -5.329 -4.399 -3.151 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.036 -6.345 -3.409 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.389 -4.836 -1.678 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.693 -3.987 -0.814 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.447 -5.731 -0.562 1.00 0.00 H new ATOM 264 N MET A 18 -8.330 -4.286 -3.496 1.00 0.00 N ATOM 265 CA MET A 18 -9.244 -4.236 -4.631 1.00 0.00 C ATOM 266 C MET A 18 -8.477 -4.414 -5.936 1.00 0.00 C ATOM 267 O MET A 18 -7.314 -4.017 -6.032 1.00 0.00 O ATOM 268 CB MET A 18 -10.027 -2.920 -4.648 1.00 0.00 C ATOM 269 CG MET A 18 -10.959 -2.752 -3.460 1.00 0.00 C ATOM 270 SD MET A 18 -12.046 -1.324 -3.620 1.00 0.00 S ATOM 271 CE MET A 18 -12.942 -1.415 -2.069 1.00 0.00 C ATOM 0 H MET A 18 -8.161 -3.386 -3.046 1.00 0.00 H new ATOM 0 HA MET A 18 -9.958 -5.053 -4.528 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.323 -2.088 -4.667 1.00 0.00 H new ATOM 0 HB3 MET A 18 -10.610 -2.866 -5.567 1.00 0.00 H new ATOM 0 HG2 MET A 18 -11.564 -3.652 -3.348 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.366 -2.651 -2.551 1.00 0.00 H new ATOM 0 HE1 MET A 18 -13.658 -0.595 -2.014 1.00 0.00 H new ATOM 0 HE2 MET A 18 -13.473 -2.365 -2.011 1.00 0.00 H new ATOM 0 HE3 MET A 18 -12.240 -1.340 -1.238 1.00 0.00 H new ATOM 281 N PRO A 19 -9.113 -5.034 -6.948 1.00 0.00 N ATOM 282 CA PRO A 19 -8.483 -5.305 -8.247 1.00 0.00 C ATOM 283 C PRO A 19 -7.846 -4.064 -8.861 1.00 0.00 C ATOM 284 O PRO A 19 -8.486 -3.019 -8.997 1.00 0.00 O ATOM 285 CB PRO A 19 -9.641 -5.801 -9.112 1.00 0.00 C ATOM 286 CG PRO A 19 -10.620 -6.362 -8.143 1.00 0.00 C ATOM 287 CD PRO A 19 -10.500 -5.529 -6.899 1.00 0.00 C ATOM 0 HA PRO A 19 -7.666 -6.021 -8.157 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.079 -4.989 -9.692 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.309 -6.558 -9.823 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -11.633 -6.320 -8.544 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.404 -7.409 -7.933 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.219 -4.709 -6.894 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.684 -6.119 -6.001 1.00 0.00 H new ATOM 295 N VAL A 20 -6.585 -4.188 -9.236 1.00 0.00 N ATOM 296 CA VAL A 20 -5.815 -3.054 -9.719 1.00 0.00 C ATOM 297 C VAL A 20 -5.631 -3.105 -11.234 1.00 0.00 C ATOM 298 O VAL A 20 -5.702 -4.176 -11.841 1.00 0.00 O ATOM 299 CB VAL A 20 -4.430 -3.001 -9.039 1.00 0.00 C ATOM 300 CG1 VAL A 20 -4.571 -2.664 -7.564 1.00 0.00 C ATOM 301 CG2 VAL A 20 -3.692 -4.324 -9.215 1.00 0.00 C ATOM 0 H VAL A 20 -6.070 -5.068 -9.215 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.378 -2.155 -9.466 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.846 -2.216 -9.518 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.584 -2.631 -7.102 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.054 -1.693 -7.457 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.176 -3.426 -7.073 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.718 -4.265 -8.728 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.274 -5.128 -8.765 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.555 -4.526 -10.277 1.00 0.00 H new ATOM 311 N PRO A 21 -5.404 -1.943 -11.868 1.00 0.00 N ATOM 312 CA PRO A 21 -5.129 -1.865 -13.299 1.00 0.00 C ATOM 313 C PRO A 21 -3.704 -2.308 -13.606 1.00 0.00 C ATOM 314 O PRO A 21 -2.752 -1.805 -13.010 1.00 0.00 O ATOM 315 CB PRO A 21 -5.308 -0.378 -13.646 1.00 0.00 C ATOM 316 CG PRO A 21 -5.727 0.306 -12.381 1.00 0.00 C ATOM 317 CD PRO A 21 -5.389 -0.616 -11.243 1.00 0.00 C ATOM 0 HA PRO A 21 -5.787 -2.515 -13.876 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.379 0.046 -14.027 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.060 -0.249 -14.424 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.210 1.259 -12.270 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.795 0.522 -12.396 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.414 -0.385 -10.814 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.118 -0.543 -10.436 1.00 0.00 H new ATOM 325 N LYS A 22 -3.563 -3.244 -14.530 1.00 0.00 N ATOM 326 CA LYS A 22 -2.261 -3.813 -14.844 1.00 0.00 C ATOM 327 C LYS A 22 -1.480 -2.881 -15.759 1.00 0.00 C ATOM 328 O LYS A 22 -0.249 -2.865 -15.748 1.00 0.00 O ATOM 329 CB LYS A 22 -2.430 -5.184 -15.498 1.00 0.00 C ATOM 330 CG LYS A 22 -3.273 -6.144 -14.672 1.00 0.00 C ATOM 331 CD LYS A 22 -3.461 -7.475 -15.374 1.00 0.00 C ATOM 332 CE LYS A 22 -4.477 -8.349 -14.652 1.00 0.00 C ATOM 333 NZ LYS A 22 -4.697 -9.641 -15.354 1.00 0.00 N ATOM 0 H LYS A 22 -4.334 -3.627 -15.077 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.700 -3.934 -13.917 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.891 -5.057 -16.478 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.447 -5.624 -15.663 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.796 -6.307 -13.705 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.247 -5.696 -14.476 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.790 -7.303 -16.399 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.505 -7.996 -15.429 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.132 -8.542 -13.636 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.423 -7.814 -14.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.395 -10.206 -14.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.050 -9.458 -16.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.800 -10.164 -15.409 1.00 0.00 H new ATOM 347 N LYS A 23 -2.204 -2.096 -16.544 1.00 0.00 N ATOM 348 CA LYS A 23 -1.578 -1.130 -17.431 1.00 0.00 C ATOM 349 C LYS A 23 -1.839 0.291 -16.943 1.00 0.00 C ATOM 350 O LYS A 23 -2.988 0.716 -16.793 1.00 0.00 O ATOM 351 CB LYS A 23 -2.063 -1.319 -18.876 1.00 0.00 C ATOM 352 CG LYS A 23 -3.575 -1.294 -19.044 1.00 0.00 C ATOM 353 CD LYS A 23 -3.966 -1.526 -20.493 1.00 0.00 C ATOM 354 CE LYS A 23 -5.474 -1.485 -20.683 1.00 0.00 C ATOM 355 NZ LYS A 23 -5.852 -1.730 -22.097 1.00 0.00 N ATOM 0 H LYS A 23 -3.223 -2.110 -16.584 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.501 -1.299 -17.419 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.628 -0.536 -19.497 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.684 -2.270 -19.251 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.027 -2.061 -18.415 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.966 -0.334 -18.707 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.499 -0.767 -21.122 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.584 -2.492 -20.823 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.942 -2.235 -20.045 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.855 -0.514 -20.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.887 -1.695 -22.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.425 -1.000 -22.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.509 -2.667 -22.391 1.00 0.00 H new ATOM 369 N LEU A 24 -0.760 1.013 -16.683 1.00 0.00 N ATOM 370 CA LEU A 24 -0.837 2.370 -16.158 1.00 0.00 C ATOM 371 C LEU A 24 -0.117 3.342 -17.084 1.00 0.00 C ATOM 372 O LEU A 24 0.522 2.926 -18.056 1.00 0.00 O ATOM 373 CB LEU A 24 -0.234 2.434 -14.750 1.00 0.00 C ATOM 374 CG LEU A 24 -1.036 1.715 -13.660 1.00 0.00 C ATOM 375 CD1 LEU A 24 -0.222 1.612 -12.379 1.00 0.00 C ATOM 376 CD2 LEU A 24 -2.345 2.449 -13.397 1.00 0.00 C ATOM 0 H LEU A 24 0.192 0.677 -16.829 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.887 2.657 -16.101 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.768 2.006 -14.782 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.125 3.481 -14.467 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.264 0.707 -14.006 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.807 1.099 -11.616 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.692 1.051 -12.573 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.033 2.612 -12.029 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.905 1.928 -12.621 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.132 3.467 -13.070 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.936 2.479 -14.313 1.00 0.00 H new ATOM 388 N LYS A 25 -0.279 4.631 -16.815 1.00 0.00 N ATOM 389 CA LYS A 25 0.403 5.679 -17.567 1.00 0.00 C ATOM 390 C LYS A 25 1.202 6.553 -16.607 1.00 0.00 C ATOM 391 O LYS A 25 0.844 6.672 -15.433 1.00 0.00 O ATOM 392 CB LYS A 25 -0.590 6.571 -18.338 1.00 0.00 C ATOM 393 CG LYS A 25 -1.427 5.868 -19.404 1.00 0.00 C ATOM 394 CD LYS A 25 -2.517 4.999 -18.798 1.00 0.00 C ATOM 395 CE LYS A 25 -3.514 4.528 -19.843 1.00 0.00 C ATOM 396 NZ LYS A 25 -4.392 5.635 -20.308 1.00 0.00 N ATOM 0 H LYS A 25 -0.885 4.980 -16.072 1.00 0.00 H new ATOM 0 HA LYS A 25 1.060 5.194 -18.289 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.266 7.034 -17.619 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.031 7.376 -18.815 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.880 6.613 -20.057 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.777 5.252 -20.026 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.064 4.134 -18.313 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.040 5.561 -18.024 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.978 4.108 -20.694 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.127 3.729 -19.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.173 5.245 -20.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.779 6.140 -19.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.839 6.296 -20.890 1.00 0.00 H new ATOM 410 N VAL A 26 2.274 7.165 -17.099 1.00 0.00 N ATOM 411 CA VAL A 26 3.028 8.128 -16.304 1.00 0.00 C ATOM 412 C VAL A 26 2.110 9.263 -15.861 1.00 0.00 C ATOM 413 O VAL A 26 1.498 9.933 -16.692 1.00 0.00 O ATOM 414 CB VAL A 26 4.212 8.734 -17.089 1.00 0.00 C ATOM 415 CG1 VAL A 26 5.100 9.565 -16.172 1.00 0.00 C ATOM 416 CG2 VAL A 26 5.015 7.649 -17.780 1.00 0.00 C ATOM 0 H VAL A 26 2.639 7.013 -18.039 1.00 0.00 H new ATOM 0 HA VAL A 26 3.425 7.591 -15.443 1.00 0.00 H new ATOM 0 HB VAL A 26 3.806 9.393 -17.856 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.927 9.982 -16.746 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.516 10.376 -15.737 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.493 8.933 -15.376 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.843 8.101 -18.326 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.407 6.956 -17.035 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.373 7.109 -18.476 1.00 0.00 H new ATOM 426 N GLY A 27 1.995 9.455 -14.557 1.00 0.00 N ATOM 427 CA GLY A 27 1.125 10.493 -14.040 1.00 0.00 C ATOM 428 C GLY A 27 -0.203 9.940 -13.562 1.00 0.00 C ATOM 429 O GLY A 27 -0.946 10.612 -12.847 1.00 0.00 O ATOM 0 H GLY A 27 2.487 8.913 -13.847 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.622 11.004 -13.215 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.949 11.237 -14.817 1.00 0.00 H new ATOM 433 N GLU A 28 -0.510 8.715 -13.964 1.00 0.00 N ATOM 434 CA GLU A 28 -1.720 8.051 -13.512 1.00 0.00 C ATOM 435 C GLU A 28 -1.515 7.496 -12.117 1.00 0.00 C ATOM 436 O GLU A 28 -0.564 6.755 -11.862 1.00 0.00 O ATOM 437 CB GLU A 28 -2.119 6.927 -14.472 1.00 0.00 C ATOM 438 CG GLU A 28 -2.784 7.413 -15.750 1.00 0.00 C ATOM 439 CD GLU A 28 -4.225 7.841 -15.543 1.00 0.00 C ATOM 440 OE1 GLU A 28 -4.602 8.172 -14.397 1.00 0.00 O ATOM 441 OE2 GLU A 28 -4.992 7.838 -16.524 1.00 0.00 O ATOM 0 H GLU A 28 0.063 8.163 -14.602 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.527 8.784 -13.492 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.230 6.353 -14.733 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.798 6.247 -13.957 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.216 8.252 -16.152 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.750 6.618 -16.495 1.00 0.00 H new ATOM 448 N THR A 29 -2.396 7.872 -11.213 1.00 0.00 N ATOM 449 CA THR A 29 -2.316 7.401 -9.848 1.00 0.00 C ATOM 450 C THR A 29 -3.311 6.271 -9.623 1.00 0.00 C ATOM 451 O THR A 29 -4.523 6.460 -9.758 1.00 0.00 O ATOM 452 CB THR A 29 -2.583 8.544 -8.854 1.00 0.00 C ATOM 453 OG1 THR A 29 -1.696 9.635 -9.132 1.00 0.00 O ATOM 454 CG2 THR A 29 -2.384 8.082 -7.418 1.00 0.00 C ATOM 0 H THR A 29 -3.176 8.503 -11.400 1.00 0.00 H new ATOM 0 HA THR A 29 -1.306 7.027 -9.677 1.00 0.00 H new ATOM 0 HB THR A 29 -3.618 8.864 -8.970 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.867 10.364 -8.500 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.580 8.911 -6.738 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.071 7.265 -7.200 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.358 7.739 -7.285 1.00 0.00 H new ATOM 462 N ALA A 30 -2.793 5.096 -9.308 1.00 0.00 N ATOM 463 CA ALA A 30 -3.627 3.934 -9.074 1.00 0.00 C ATOM 464 C ALA A 30 -4.087 3.892 -7.626 1.00 0.00 C ATOM 465 O ALA A 30 -3.274 3.752 -6.710 1.00 0.00 O ATOM 466 CB ALA A 30 -2.871 2.663 -9.431 1.00 0.00 C ATOM 0 H ALA A 30 -1.793 4.923 -9.208 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.508 4.004 -9.711 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.509 1.798 -9.251 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.587 2.692 -10.483 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.975 2.588 -8.815 1.00 0.00 H new ATOM 472 N GLU A 31 -5.385 4.051 -7.420 1.00 0.00 N ATOM 473 CA GLU A 31 -5.959 3.955 -6.091 1.00 0.00 C ATOM 474 C GLU A 31 -6.113 2.492 -5.699 1.00 0.00 C ATOM 475 O GLU A 31 -6.946 1.774 -6.252 1.00 0.00 O ATOM 476 CB GLU A 31 -7.316 4.662 -6.029 1.00 0.00 C ATOM 477 CG GLU A 31 -7.973 4.596 -4.658 1.00 0.00 C ATOM 478 CD GLU A 31 -9.346 5.238 -4.628 1.00 0.00 C ATOM 479 OE1 GLU A 31 -10.280 4.684 -5.241 1.00 0.00 O ATOM 480 OE2 GLU A 31 -9.501 6.296 -3.982 1.00 0.00 O ATOM 0 H GLU A 31 -6.060 4.247 -8.159 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.287 4.447 -5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.186 5.707 -6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.984 4.214 -6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.059 3.553 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.331 5.090 -3.929 1.00 0.00 H new ATOM 487 N ILE A 32 -5.289 2.053 -4.768 1.00 0.00 N ATOM 488 CA ILE A 32 -5.359 0.694 -4.268 1.00 0.00 C ATOM 489 C ILE A 32 -6.039 0.689 -2.909 1.00 0.00 C ATOM 490 O ILE A 32 -5.426 1.024 -1.893 1.00 0.00 O ATOM 491 CB ILE A 32 -3.954 0.059 -4.141 1.00 0.00 C ATOM 492 CG1 ILE A 32 -3.206 0.158 -5.474 1.00 0.00 C ATOM 493 CG2 ILE A 32 -4.065 -1.397 -3.694 1.00 0.00 C ATOM 494 CD1 ILE A 32 -1.780 -0.343 -5.413 1.00 0.00 C ATOM 0 H ILE A 32 -4.559 2.622 -4.340 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.934 0.103 -4.981 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.390 0.607 -3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.749 -0.412 -6.228 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.202 1.198 -5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.068 -1.829 -3.610 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.564 -1.443 -2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.643 -1.960 -4.427 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.316 -0.241 -6.394 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.220 0.242 -4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.775 -1.392 -5.117 1.00 0.00 H new ATOM 506 N ARG A 33 -7.315 0.347 -2.895 1.00 0.00 N ATOM 507 CA ARG A 33 -8.061 0.291 -1.653 1.00 0.00 C ATOM 508 C ARG A 33 -7.836 -1.036 -0.959 1.00 0.00 C ATOM 509 O ARG A 33 -7.903 -2.099 -1.584 1.00 0.00 O ATOM 510 CB ARG A 33 -9.552 0.510 -1.894 1.00 0.00 C ATOM 511 CG ARG A 33 -9.898 1.921 -2.324 1.00 0.00 C ATOM 512 CD ARG A 33 -11.400 2.132 -2.351 1.00 0.00 C ATOM 513 NE ARG A 33 -12.001 1.954 -1.028 1.00 0.00 N ATOM 514 CZ ARG A 33 -13.024 2.674 -0.570 1.00 0.00 C ATOM 515 NH1 ARG A 33 -13.508 3.683 -1.287 1.00 0.00 N ATOM 516 NH2 ARG A 33 -13.540 2.403 0.620 1.00 0.00 N ATOM 0 H ARG A 33 -7.854 0.105 -3.727 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.698 1.093 -1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.894 -0.188 -2.659 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.097 0.274 -0.980 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.440 2.635 -1.640 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.483 2.115 -3.313 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.619 3.135 -2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.852 1.431 -3.052 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.612 1.234 -0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.096 3.909 -2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.291 4.231 -0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.154 1.645 1.183 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.323 2.953 0.973 1.00 0.00 H new ATOM 530 N CYS A 34 -7.563 -0.966 0.327 1.00 0.00 N ATOM 531 CA CYS A 34 -7.311 -2.150 1.116 1.00 0.00 C ATOM 532 C CYS A 34 -8.378 -2.289 2.190 1.00 0.00 C ATOM 533 O CYS A 34 -8.904 -1.290 2.682 1.00 0.00 O ATOM 534 CB CYS A 34 -5.923 -2.067 1.754 1.00 0.00 C ATOM 535 SG CYS A 34 -4.594 -1.736 0.573 1.00 0.00 S ATOM 0 H CYS A 34 -7.510 -0.092 0.851 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.346 -3.026 0.469 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.928 -1.282 2.510 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.714 -3.005 2.269 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.735 -2.712 0.601 1.00 0.00 H new ATOM 541 N GLN A 35 -8.720 -3.521 2.523 1.00 0.00 N ATOM 542 CA GLN A 35 -9.655 -3.774 3.602 1.00 0.00 C ATOM 543 C GLN A 35 -8.951 -4.545 4.706 1.00 0.00 C ATOM 544 O GLN A 35 -8.556 -5.696 4.514 1.00 0.00 O ATOM 545 CB GLN A 35 -10.872 -4.565 3.107 1.00 0.00 C ATOM 546 CG GLN A 35 -12.007 -4.617 4.119 1.00 0.00 C ATOM 547 CD GLN A 35 -12.905 -3.395 4.062 1.00 0.00 C ATOM 548 OE1 GLN A 35 -12.485 -2.311 3.655 1.00 0.00 O ATOM 549 NE2 GLN A 35 -14.145 -3.558 4.496 1.00 0.00 N ATOM 0 H GLN A 35 -8.365 -4.359 2.063 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.010 -2.817 3.986 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.238 -4.116 2.184 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.562 -5.582 2.866 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.606 -5.510 3.941 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.589 -4.708 5.122 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.454 -4.473 4.825 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.791 -2.769 4.501 1.00 0.00 H new ATOM 558 N LEU A 36 -8.778 -3.903 5.848 1.00 0.00 N ATOM 559 CA LEU A 36 -8.134 -4.531 6.988 1.00 0.00 C ATOM 560 C LEU A 36 -9.198 -5.010 7.965 1.00 0.00 C ATOM 561 O LEU A 36 -10.020 -4.226 8.436 1.00 0.00 O ATOM 562 CB LEU A 36 -7.172 -3.536 7.656 1.00 0.00 C ATOM 563 CG LEU A 36 -6.221 -4.113 8.713 1.00 0.00 C ATOM 564 CD1 LEU A 36 -5.055 -3.164 8.929 1.00 0.00 C ATOM 565 CD2 LEU A 36 -6.941 -4.349 10.035 1.00 0.00 C ATOM 0 H LEU A 36 -9.077 -2.941 6.011 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.552 -5.392 6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.572 -3.065 6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.764 -2.749 8.122 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.853 -5.072 8.349 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.383 -3.578 9.680 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.514 -3.032 7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.430 -2.199 9.270 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.240 -4.758 10.763 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.340 -3.405 10.406 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.759 -5.053 9.883 1.00 0.00 H new ATOM 577 N HIS A 37 -9.192 -6.298 8.252 1.00 0.00 N ATOM 578 CA HIS A 37 -10.157 -6.874 9.173 1.00 0.00 C ATOM 579 C HIS A 37 -9.468 -7.726 10.231 1.00 0.00 C ATOM 580 O HIS A 37 -8.822 -8.724 9.916 1.00 0.00 O ATOM 581 CB HIS A 37 -11.188 -7.714 8.412 1.00 0.00 C ATOM 582 CG HIS A 37 -12.249 -8.307 9.293 1.00 0.00 C ATOM 583 ND1 HIS A 37 -12.429 -9.663 9.448 1.00 0.00 N ATOM 584 CD2 HIS A 37 -13.185 -7.716 10.071 1.00 0.00 C ATOM 585 CE1 HIS A 37 -13.425 -9.880 10.283 1.00 0.00 C ATOM 586 NE2 HIS A 37 -13.902 -8.716 10.678 1.00 0.00 N ATOM 0 H HIS A 37 -8.529 -6.967 7.861 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.669 -6.053 9.676 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.663 -7.091 7.654 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -10.673 -8.518 7.887 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.339 -6.654 10.192 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -13.789 -10.849 10.592 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -14.677 -8.581 11.328 1.00 0.00 H new ATOM 595 N ARG A 38 -9.600 -7.310 11.481 1.00 0.00 N ATOM 596 CA ARG A 38 -9.144 -8.104 12.612 1.00 0.00 C ATOM 597 C ARG A 38 -10.057 -7.881 13.809 1.00 0.00 C ATOM 598 O ARG A 38 -10.139 -6.776 14.343 1.00 0.00 O ATOM 599 CB ARG A 38 -7.693 -7.776 12.989 1.00 0.00 C ATOM 600 CG ARG A 38 -7.436 -6.304 13.268 1.00 0.00 C ATOM 601 CD ARG A 38 -6.214 -6.114 14.154 1.00 0.00 C ATOM 602 NE ARG A 38 -6.441 -6.613 15.511 1.00 0.00 N ATOM 603 CZ ARG A 38 -5.482 -7.079 16.307 1.00 0.00 C ATOM 604 NH1 ARG A 38 -4.218 -7.082 15.905 1.00 0.00 N ATOM 605 NH2 ARG A 38 -5.789 -7.510 17.525 1.00 0.00 N ATOM 0 H ARG A 38 -10.023 -6.419 11.739 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.181 -9.153 12.317 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.420 -8.354 13.872 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.038 -8.100 12.180 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.292 -5.773 12.327 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.309 -5.865 13.751 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.362 -6.633 13.714 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.956 -5.056 14.195 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.396 -6.603 15.870 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.976 -6.726 14.980 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.488 -7.441 16.520 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.757 -7.483 17.847 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.057 -7.868 18.139 1.00 0.00 H new ATOM 712 N THR A 45 -4.818 -0.956 19.509 1.00 0.00 N ATOM 713 CA THR A 45 -4.154 -1.658 18.427 1.00 0.00 C ATOM 714 C THR A 45 -3.837 -0.704 17.279 1.00 0.00 C ATOM 715 O THR A 45 -4.729 -0.285 16.542 1.00 0.00 O ATOM 716 CB THR A 45 -5.040 -2.805 17.908 1.00 0.00 C ATOM 717 OG1 THR A 45 -5.609 -3.514 19.019 1.00 0.00 O ATOM 718 CG2 THR A 45 -4.229 -3.764 17.047 1.00 0.00 C ATOM 0 HA THR A 45 -3.222 -2.069 18.815 1.00 0.00 H new ATOM 0 HB THR A 45 -5.837 -2.381 17.297 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.647 -2.923 19.800 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.874 -4.567 16.690 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.815 -3.226 16.195 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.417 -4.187 17.639 1.00 0.00 H new ATOM 726 N LYS A 46 -2.569 -0.348 17.144 1.00 0.00 N ATOM 727 CA LYS A 46 -2.143 0.555 16.087 1.00 0.00 C ATOM 728 C LYS A 46 -1.555 -0.237 14.927 1.00 0.00 C ATOM 729 O LYS A 46 -0.847 -1.222 15.130 1.00 0.00 O ATOM 730 CB LYS A 46 -1.121 1.562 16.619 1.00 0.00 C ATOM 731 CG LYS A 46 -1.657 2.421 17.750 1.00 0.00 C ATOM 732 CD LYS A 46 -0.612 3.407 18.242 1.00 0.00 C ATOM 733 CE LYS A 46 -1.113 4.203 19.437 1.00 0.00 C ATOM 734 NZ LYS A 46 -2.320 5.011 19.113 1.00 0.00 N ATOM 0 H LYS A 46 -1.817 -0.671 17.753 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.012 1.107 15.730 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.239 1.024 16.967 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.799 2.208 15.802 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.539 2.963 17.410 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.974 1.783 18.575 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.296 2.869 18.517 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.346 4.090 17.435 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.345 3.520 20.254 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.320 4.863 19.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.534 5.649 19.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.142 5.572 18.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.129 4.377 18.951 1.00 0.00 H new ATOM 748 N TYR A 47 -1.865 0.193 13.714 1.00 0.00 N ATOM 749 CA TYR A 47 -1.395 -0.490 12.518 1.00 0.00 C ATOM 750 C TYR A 47 -0.223 0.266 11.911 1.00 0.00 C ATOM 751 O TYR A 47 -0.169 1.493 11.985 1.00 0.00 O ATOM 752 CB TYR A 47 -2.528 -0.605 11.498 1.00 0.00 C ATOM 753 CG TYR A 47 -3.791 -1.204 12.066 1.00 0.00 C ATOM 754 CD1 TYR A 47 -3.913 -2.573 12.243 1.00 0.00 C ATOM 755 CD2 TYR A 47 -4.863 -0.395 12.429 1.00 0.00 C ATOM 756 CE1 TYR A 47 -5.064 -3.124 12.765 1.00 0.00 C ATOM 757 CE2 TYR A 47 -6.020 -0.940 12.953 1.00 0.00 C ATOM 758 CZ TYR A 47 -6.114 -2.304 13.120 1.00 0.00 C ATOM 759 OH TYR A 47 -7.265 -2.853 13.641 1.00 0.00 O ATOM 0 H TYR A 47 -2.442 1.014 13.531 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.065 -1.492 12.793 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.751 0.386 11.102 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.191 -1.215 10.660 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.093 -3.219 11.967 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.790 0.675 12.299 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.143 -4.193 12.895 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.845 -0.300 13.230 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.907 -2.140 13.840 1.00 0.00 H new ATOM 769 N PHE A 48 0.713 -0.461 11.318 1.00 0.00 N ATOM 770 CA PHE A 48 1.894 0.149 10.727 1.00 0.00 C ATOM 771 C PHE A 48 2.076 -0.312 9.283 1.00 0.00 C ATOM 772 O PHE A 48 1.685 -1.423 8.920 1.00 0.00 O ATOM 773 CB PHE A 48 3.137 -0.202 11.547 1.00 0.00 C ATOM 774 CG PHE A 48 3.031 0.183 12.996 1.00 0.00 C ATOM 775 CD1 PHE A 48 3.204 1.501 13.393 1.00 0.00 C ATOM 776 CD2 PHE A 48 2.754 -0.772 13.963 1.00 0.00 C ATOM 777 CE1 PHE A 48 3.104 1.858 14.724 1.00 0.00 C ATOM 778 CE2 PHE A 48 2.654 -0.420 15.296 1.00 0.00 C ATOM 779 CZ PHE A 48 2.829 0.897 15.676 1.00 0.00 C ATOM 0 H PHE A 48 0.677 -1.477 11.234 1.00 0.00 H new ATOM 0 HA PHE A 48 1.758 1.230 10.731 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.317 -1.275 11.477 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.003 0.296 11.110 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.419 2.257 12.653 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.615 -1.802 13.671 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.241 2.888 15.019 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.439 -1.173 16.040 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.751 1.174 16.717 1.00 0.00 H new ATOM 789 N ILE A 49 2.665 0.547 8.463 1.00 0.00 N ATOM 790 CA ILE A 49 2.906 0.235 7.063 1.00 0.00 C ATOM 791 C ILE A 49 4.343 0.592 6.668 1.00 0.00 C ATOM 792 O ILE A 49 4.886 1.603 7.113 1.00 0.00 O ATOM 793 CB ILE A 49 1.907 0.981 6.143 1.00 0.00 C ATOM 794 CG1 ILE A 49 2.126 0.587 4.678 1.00 0.00 C ATOM 795 CG2 ILE A 49 2.034 2.490 6.319 1.00 0.00 C ATOM 796 CD1 ILE A 49 1.156 1.240 3.716 1.00 0.00 C ATOM 0 H ILE A 49 2.987 1.472 8.747 1.00 0.00 H new ATOM 0 HA ILE A 49 2.759 -0.837 6.935 1.00 0.00 H new ATOM 0 HB ILE A 49 0.896 0.689 6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.143 0.852 4.389 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.040 -0.496 4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.324 2.994 5.664 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.823 2.755 7.355 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.047 2.802 6.064 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.375 0.912 2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.137 0.955 3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.257 2.324 3.777 1.00 0.00 H new ATOM 808 N ARG A 50 4.951 -0.266 5.857 1.00 0.00 N ATOM 809 CA ARG A 50 6.305 -0.060 5.357 1.00 0.00 C ATOM 810 C ARG A 50 6.519 -0.958 4.143 1.00 0.00 C ATOM 811 O ARG A 50 6.133 -2.120 4.163 1.00 0.00 O ATOM 812 CB ARG A 50 7.327 -0.371 6.461 1.00 0.00 C ATOM 813 CG ARG A 50 8.776 -0.352 6.001 1.00 0.00 C ATOM 814 CD ARG A 50 9.737 -0.388 7.182 1.00 0.00 C ATOM 815 NE ARG A 50 9.416 -1.458 8.131 1.00 0.00 N ATOM 816 CZ ARG A 50 10.270 -1.923 9.045 1.00 0.00 C ATOM 817 NH1 ARG A 50 11.519 -1.474 9.075 1.00 0.00 N ATOM 818 NH2 ARG A 50 9.878 -2.851 9.914 1.00 0.00 N ATOM 0 H ARG A 50 4.517 -1.128 5.526 1.00 0.00 H new ATOM 0 HA ARG A 50 6.442 0.980 5.061 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.205 0.353 7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.104 -1.353 6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.964 -1.207 5.352 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.959 0.545 5.409 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.754 -0.525 6.815 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.710 0.572 7.698 1.00 0.00 H new ATOM 0 HE ARG A 50 8.485 -1.872 8.090 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.826 -0.774 8.400 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.172 -1.829 9.773 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.923 -3.208 9.882 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.532 -3.205 10.612 1.00 0.00 H new ATOM 832 N TYR A 51 7.112 -0.433 3.083 1.00 0.00 N ATOM 833 CA TYR A 51 7.211 -1.191 1.842 1.00 0.00 C ATOM 834 C TYR A 51 8.577 -1.028 1.196 1.00 0.00 C ATOM 835 O TYR A 51 9.347 -0.148 1.559 1.00 0.00 O ATOM 836 CB TYR A 51 6.119 -0.752 0.860 1.00 0.00 C ATOM 837 CG TYR A 51 6.298 0.650 0.315 1.00 0.00 C ATOM 838 CD1 TYR A 51 5.881 1.760 1.040 1.00 0.00 C ATOM 839 CD2 TYR A 51 6.878 0.860 -0.931 1.00 0.00 C ATOM 840 CE1 TYR A 51 6.035 3.040 0.537 1.00 0.00 C ATOM 841 CE2 TYR A 51 7.037 2.133 -1.438 1.00 0.00 C ATOM 842 CZ TYR A 51 6.615 3.220 -0.701 1.00 0.00 C ATOM 843 OH TYR A 51 6.771 4.488 -1.211 1.00 0.00 O ATOM 0 H TYR A 51 7.526 0.499 3.053 1.00 0.00 H new ATOM 0 HA TYR A 51 7.075 -2.244 2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.094 -1.453 0.026 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.152 -0.815 1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.430 1.621 2.011 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.210 0.012 -1.512 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.703 3.893 1.111 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.490 2.278 -2.408 1.00 0.00 H new ATOM 0 HH TYR A 51 6.871 5.127 -0.475 1.00 0.00 H new ATOM 853 N PHE A 52 8.863 -1.876 0.224 1.00 0.00 N ATOM 854 CA PHE A 52 10.106 -1.791 -0.523 1.00 0.00 C ATOM 855 C PHE A 52 9.818 -1.889 -2.016 1.00 0.00 C ATOM 856 O PHE A 52 9.177 -2.838 -2.472 1.00 0.00 O ATOM 857 CB PHE A 52 11.066 -2.905 -0.089 1.00 0.00 C ATOM 858 CG PHE A 52 12.428 -2.815 -0.718 1.00 0.00 C ATOM 859 CD1 PHE A 52 13.362 -1.902 -0.253 1.00 0.00 C ATOM 860 CD2 PHE A 52 12.778 -3.648 -1.769 1.00 0.00 C ATOM 861 CE1 PHE A 52 14.617 -1.820 -0.825 1.00 0.00 C ATOM 862 CE2 PHE A 52 14.031 -3.570 -2.346 1.00 0.00 C ATOM 863 CZ PHE A 52 14.952 -2.656 -1.873 1.00 0.00 C ATOM 0 H PHE A 52 8.248 -2.635 -0.068 1.00 0.00 H new ATOM 0 HA PHE A 52 10.579 -0.831 -0.317 1.00 0.00 H new ATOM 0 HB2 PHE A 52 11.175 -2.875 0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.624 -3.870 -0.339 1.00 0.00 H new ATOM 0 HD1 PHE A 52 13.105 -1.247 0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 52 12.063 -4.367 -2.141 1.00 0.00 H new ATOM 0 HE1 PHE A 52 15.335 -1.104 -0.454 1.00 0.00 H new ATOM 0 HE2 PHE A 52 14.290 -4.223 -3.166 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.933 -2.595 -2.322 1.00 0.00 H new ATOM 873 N GLN A 53 10.282 -0.903 -2.772 1.00 0.00 N ATOM 874 CA GLN A 53 10.072 -0.889 -4.213 1.00 0.00 C ATOM 875 C GLN A 53 11.396 -1.064 -4.954 1.00 0.00 C ATOM 876 O GLN A 53 12.136 -0.103 -5.167 1.00 0.00 O ATOM 877 CB GLN A 53 9.365 0.400 -4.654 1.00 0.00 C ATOM 878 CG GLN A 53 9.963 1.676 -4.075 1.00 0.00 C ATOM 879 CD GLN A 53 9.428 2.931 -4.741 1.00 0.00 C ATOM 880 OE1 GLN A 53 8.335 3.464 -4.218 1.00 0.00 O flip ATOM 881 NE2 GLN A 53 9.999 3.421 -5.716 1.00 0.00 N flip ATOM 0 H GLN A 53 10.805 -0.104 -2.412 1.00 0.00 H new ATOM 0 HA GLN A 53 9.426 -1.729 -4.468 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.393 0.461 -5.742 1.00 0.00 H new ATOM 0 HB3 GLN A 53 8.316 0.341 -4.365 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.751 1.719 -3.007 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.047 1.646 -4.184 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.839 2.980 -6.090 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.632 4.268 -6.150 1.00 0.00 H new ATOM 890 N PRO A 54 11.730 -2.308 -5.321 1.00 0.00 N ATOM 891 CA PRO A 54 12.970 -2.609 -6.038 1.00 0.00 C ATOM 892 C PRO A 54 12.929 -2.162 -7.500 1.00 0.00 C ATOM 893 O PRO A 54 13.862 -1.532 -7.993 1.00 0.00 O ATOM 894 CB PRO A 54 13.068 -4.133 -5.946 1.00 0.00 C ATOM 895 CG PRO A 54 11.660 -4.599 -5.808 1.00 0.00 C ATOM 896 CD PRO A 54 10.941 -3.522 -5.041 1.00 0.00 C ATOM 0 HA PRO A 54 13.824 -2.084 -5.610 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.538 -4.553 -6.835 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.671 -4.439 -5.091 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.203 -4.754 -6.785 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.614 -5.551 -5.280 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.909 -3.414 -5.374 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.910 -3.743 -3.974 1.00 0.00 H new ATOM 904 N ASP A 55 11.837 -2.484 -8.184 1.00 0.00 N ATOM 905 CA ASP A 55 11.714 -2.175 -9.605 1.00 0.00 C ATOM 906 C ASP A 55 10.583 -1.195 -9.854 1.00 0.00 C ATOM 907 O ASP A 55 10.626 -0.406 -10.800 1.00 0.00 O ATOM 908 CB ASP A 55 11.473 -3.451 -10.418 1.00 0.00 C ATOM 909 CG ASP A 55 12.623 -4.432 -10.342 1.00 0.00 C ATOM 910 OD1 ASP A 55 13.733 -4.090 -10.805 1.00 0.00 O ATOM 911 OD2 ASP A 55 12.418 -5.554 -9.827 1.00 0.00 O ATOM 0 H ASP A 55 11.028 -2.956 -7.781 1.00 0.00 H new ATOM 0 HA ASP A 55 12.651 -1.719 -9.924 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.565 -3.937 -10.060 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.301 -3.183 -11.460 1.00 0.00 H new ATOM 916 N GLY A 56 9.583 -1.243 -8.990 1.00 0.00 N ATOM 917 CA GLY A 56 8.414 -0.400 -9.148 1.00 0.00 C ATOM 918 C GLY A 56 8.698 1.051 -8.832 1.00 0.00 C ATOM 919 O GLY A 56 8.649 1.460 -7.676 1.00 0.00 O ATOM 0 H GLY A 56 9.559 -1.856 -8.175 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.048 -0.480 -10.172 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.619 -0.761 -8.496 1.00 0.00 H new ATOM 923 N ALA A 57 9.005 1.823 -9.862 1.00 0.00 N ATOM 924 CA ALA A 57 9.298 3.235 -9.694 1.00 0.00 C ATOM 925 C ALA A 57 8.014 4.051 -9.650 1.00 0.00 C ATOM 926 O ALA A 57 7.415 4.359 -10.687 1.00 0.00 O ATOM 927 CB ALA A 57 10.211 3.724 -10.805 1.00 0.00 C ATOM 0 H ALA A 57 9.058 1.493 -10.826 1.00 0.00 H new ATOM 0 HA ALA A 57 9.814 3.368 -8.743 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.420 4.784 -10.664 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.145 3.163 -10.781 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.723 3.576 -11.768 1.00 0.00 H new ATOM 933 N GLY A 58 7.585 4.375 -8.444 1.00 0.00 N ATOM 934 CA GLY A 58 6.382 5.152 -8.267 1.00 0.00 C ATOM 935 C GLY A 58 6.308 5.781 -6.894 1.00 0.00 C ATOM 936 O GLY A 58 7.001 5.358 -5.970 1.00 0.00 O ATOM 0 H GLY A 58 8.053 4.111 -7.577 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.341 5.933 -9.026 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.512 4.513 -8.420 1.00 0.00 H new ATOM 940 N THR A 59 5.473 6.794 -6.768 1.00 0.00 N ATOM 941 CA THR A 59 5.287 7.480 -5.503 1.00 0.00 C ATOM 942 C THR A 59 4.042 6.955 -4.790 1.00 0.00 C ATOM 943 O THR A 59 2.927 7.119 -5.282 1.00 0.00 O ATOM 944 CB THR A 59 5.153 9.000 -5.723 1.00 0.00 C ATOM 945 OG1 THR A 59 6.261 9.473 -6.501 1.00 0.00 O ATOM 946 CG2 THR A 59 5.107 9.746 -4.397 1.00 0.00 C ATOM 0 H THR A 59 4.908 7.163 -7.533 1.00 0.00 H new ATOM 0 HA THR A 59 6.163 7.288 -4.883 1.00 0.00 H new ATOM 0 HB THR A 59 4.219 9.187 -6.254 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.173 10.439 -6.641 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.012 10.816 -4.584 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.251 9.402 -3.816 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.024 9.555 -3.840 1.00 0.00 H new ATOM 954 N LEU A 60 4.231 6.309 -3.650 1.00 0.00 N ATOM 955 CA LEU A 60 3.107 5.765 -2.903 1.00 0.00 C ATOM 956 C LEU A 60 2.639 6.753 -1.839 1.00 0.00 C ATOM 957 O LEU A 60 3.384 7.105 -0.922 1.00 0.00 O ATOM 958 CB LEU A 60 3.471 4.423 -2.261 1.00 0.00 C ATOM 959 CG LEU A 60 2.301 3.693 -1.591 1.00 0.00 C ATOM 960 CD1 LEU A 60 1.214 3.379 -2.608 1.00 0.00 C ATOM 961 CD2 LEU A 60 2.783 2.419 -0.914 1.00 0.00 C ATOM 0 H LEU A 60 5.144 6.149 -3.224 1.00 0.00 H new ATOM 0 HA LEU A 60 2.290 5.596 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.896 3.773 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.250 4.591 -1.517 1.00 0.00 H new ATOM 0 HG LEU A 60 1.879 4.348 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.392 2.861 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.847 4.307 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.623 2.744 -3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.939 1.915 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.232 1.760 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.525 2.668 -0.155 1.00 0.00 H new ATOM 973 N LYS A 61 1.407 7.208 -1.984 1.00 0.00 N ATOM 974 CA LYS A 61 0.802 8.125 -1.031 1.00 0.00 C ATOM 975 C LYS A 61 -0.230 7.397 -0.183 1.00 0.00 C ATOM 976 O LYS A 61 -0.833 6.420 -0.626 1.00 0.00 O ATOM 977 CB LYS A 61 0.126 9.291 -1.761 1.00 0.00 C ATOM 978 CG LYS A 61 1.083 10.203 -2.510 1.00 0.00 C ATOM 979 CD LYS A 61 0.326 11.113 -3.462 1.00 0.00 C ATOM 980 CE LYS A 61 1.251 12.084 -4.182 1.00 0.00 C ATOM 981 NZ LYS A 61 1.617 13.249 -3.332 1.00 0.00 N ATOM 0 H LYS A 61 0.799 6.954 -2.762 1.00 0.00 H new ATOM 0 HA LYS A 61 1.590 8.515 -0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.601 8.889 -2.467 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.429 9.885 -1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.651 10.804 -1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.803 9.604 -3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.206 10.507 -4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.426 11.673 -2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.157 11.561 -4.487 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.766 12.438 -5.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.397 13.772 -3.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.794 13.876 -3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.916 12.914 -2.394 1.00 0.00 H new ATOM 995 N MET A 62 -0.417 7.871 1.036 1.00 0.00 N ATOM 996 CA MET A 62 -1.463 7.360 1.906 1.00 0.00 C ATOM 997 C MET A 62 -2.783 8.038 1.545 1.00 0.00 C ATOM 998 O MET A 62 -2.784 9.056 0.851 1.00 0.00 O ATOM 999 CB MET A 62 -1.108 7.630 3.374 1.00 0.00 C ATOM 1000 CG MET A 62 -2.013 6.921 4.372 1.00 0.00 C ATOM 1001 SD MET A 62 -1.695 7.402 6.081 1.00 0.00 S ATOM 1002 CE MET A 62 0.016 6.907 6.270 1.00 0.00 C ATOM 0 H MET A 62 0.146 8.615 1.449 1.00 0.00 H new ATOM 0 HA MET A 62 -1.559 6.283 1.771 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.078 7.321 3.550 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.154 8.704 3.556 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.053 7.137 4.128 1.00 0.00 H new ATOM 0 HG3 MET A 62 -1.879 5.844 4.273 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.207 6.650 7.312 1.00 0.00 H new ATOM 0 HE2 MET A 62 0.216 6.040 5.640 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.667 7.729 5.974 1.00 0.00 H new ATOM 1012 N SER A 63 -3.896 7.475 2.005 1.00 0.00 N ATOM 1013 CA SER A 63 -5.220 8.030 1.750 1.00 0.00 C ATOM 1014 C SER A 63 -5.352 9.495 2.185 1.00 0.00 C ATOM 1015 O SER A 63 -6.199 10.227 1.664 1.00 0.00 O ATOM 1016 CB SER A 63 -6.267 7.170 2.457 1.00 0.00 C ATOM 1017 OG SER A 63 -5.717 6.541 3.606 1.00 0.00 O ATOM 0 H SER A 63 -3.905 6.622 2.564 1.00 0.00 H new ATOM 0 HA SER A 63 -5.380 8.016 0.672 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.115 7.789 2.748 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.646 6.413 1.770 1.00 0.00 H new ATOM 0 HG SER A 63 -6.406 5.997 4.043 1.00 0.00 H new ATOM 1023 N ASP A 64 -4.515 9.926 3.124 1.00 0.00 N ATOM 1024 CA ASP A 64 -4.570 11.298 3.617 1.00 0.00 C ATOM 1025 C ASP A 64 -3.724 12.221 2.741 1.00 0.00 C ATOM 1026 O ASP A 64 -3.858 13.443 2.800 1.00 0.00 O ATOM 1027 CB ASP A 64 -4.093 11.370 5.072 1.00 0.00 C ATOM 1028 CG ASP A 64 -2.584 11.430 5.200 1.00 0.00 C ATOM 1029 OD1 ASP A 64 -1.886 10.655 4.514 1.00 0.00 O ATOM 1030 OD2 ASP A 64 -2.084 12.255 5.993 1.00 0.00 O ATOM 0 H ASP A 64 -3.794 9.348 3.557 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.607 11.631 3.573 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.527 12.249 5.548 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.463 10.499 5.613 1.00 0.00 H new ATOM 1035 N GLY A 65 -2.855 11.630 1.928 1.00 0.00 N ATOM 1036 CA GLY A 65 -2.020 12.412 1.039 1.00 0.00 C ATOM 1037 C GLY A 65 -0.546 12.333 1.386 1.00 0.00 C ATOM 1038 O GLY A 65 0.294 12.855 0.653 1.00 0.00 O ATOM 0 H GLY A 65 -2.715 10.621 1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.165 12.066 0.016 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.340 13.454 1.072 1.00 0.00 H new ATOM 1042 N THR A 66 -0.228 11.684 2.499 1.00 0.00 N ATOM 1043 CA THR A 66 1.158 11.559 2.943 1.00 0.00 C ATOM 1044 C THR A 66 1.974 10.676 1.995 1.00 0.00 C ATOM 1045 O THR A 66 1.591 9.541 1.708 1.00 0.00 O ATOM 1046 CB THR A 66 1.233 10.968 4.369 1.00 0.00 C ATOM 1047 OG1 THR A 66 0.538 11.817 5.290 1.00 0.00 O ATOM 1048 CG2 THR A 66 2.676 10.807 4.831 1.00 0.00 C ATOM 0 H THR A 66 -0.909 11.236 3.112 1.00 0.00 H new ATOM 0 HA THR A 66 1.581 12.564 2.943 1.00 0.00 H new ATOM 0 HB THR A 66 0.765 9.984 4.342 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.589 11.434 6.191 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.691 10.389 5.838 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.203 10.137 4.152 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.168 11.780 4.835 1.00 0.00 H new ATOM 1056 N VAL A 67 3.087 11.207 1.503 1.00 0.00 N ATOM 1057 CA VAL A 67 4.014 10.426 0.697 1.00 0.00 C ATOM 1058 C VAL A 67 4.828 9.509 1.602 1.00 0.00 C ATOM 1059 O VAL A 67 5.516 9.970 2.511 1.00 0.00 O ATOM 1060 CB VAL A 67 4.966 11.330 -0.115 1.00 0.00 C ATOM 1061 CG1 VAL A 67 5.991 10.498 -0.870 1.00 0.00 C ATOM 1062 CG2 VAL A 67 4.175 12.201 -1.077 1.00 0.00 C ATOM 0 H VAL A 67 3.369 12.176 1.649 1.00 0.00 H new ATOM 0 HA VAL A 67 3.430 9.835 -0.009 1.00 0.00 H new ATOM 0 HB VAL A 67 5.501 11.976 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.650 11.157 -1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.580 9.916 -0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.478 9.824 -1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.860 12.833 -1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.614 11.568 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.483 12.828 -0.515 1.00 0.00 H new ATOM 1072 N LEU A 68 4.738 8.216 1.354 1.00 0.00 N ATOM 1073 CA LEU A 68 5.353 7.234 2.226 1.00 0.00 C ATOM 1074 C LEU A 68 6.768 6.896 1.770 1.00 0.00 C ATOM 1075 O LEU A 68 6.972 6.415 0.654 1.00 0.00 O ATOM 1076 CB LEU A 68 4.500 5.963 2.253 1.00 0.00 C ATOM 1077 CG LEU A 68 3.027 6.175 2.619 1.00 0.00 C ATOM 1078 CD1 LEU A 68 2.246 4.880 2.466 1.00 0.00 C ATOM 1079 CD2 LEU A 68 2.900 6.712 4.035 1.00 0.00 C ATOM 0 H LEU A 68 4.244 7.821 0.554 1.00 0.00 H new ATOM 0 HA LEU A 68 5.413 7.659 3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.550 5.490 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.938 5.265 2.966 1.00 0.00 H new ATOM 0 HG LEU A 68 2.606 6.911 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.202 5.051 2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.307 4.538 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.668 4.121 3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.847 6.856 4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.339 6.001 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.423 7.665 4.111 1.00 0.00 H new ATOM 1091 N LEU A 69 7.743 7.164 2.627 1.00 0.00 N ATOM 1092 CA LEU A 69 9.106 6.725 2.381 1.00 0.00 C ATOM 1093 C LEU A 69 9.214 5.235 2.673 1.00 0.00 C ATOM 1094 O LEU A 69 8.881 4.788 3.769 1.00 0.00 O ATOM 1095 CB LEU A 69 10.112 7.518 3.232 1.00 0.00 C ATOM 1096 CG LEU A 69 10.469 8.921 2.716 1.00 0.00 C ATOM 1097 CD1 LEU A 69 11.005 8.849 1.295 1.00 0.00 C ATOM 1098 CD2 LEU A 69 9.270 9.856 2.784 1.00 0.00 C ATOM 0 H LEU A 69 7.615 7.682 3.496 1.00 0.00 H new ATOM 0 HA LEU A 69 9.350 6.909 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.709 7.614 4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.030 6.936 3.310 1.00 0.00 H new ATOM 0 HG LEU A 69 11.248 9.325 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.252 9.852 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.900 8.228 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.248 8.415 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.555 10.840 2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.462 9.456 2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.934 9.942 3.817 1.00 0.00 H new ATOM 1110 N PRO A 70 9.682 4.453 1.685 1.00 0.00 N ATOM 1111 CA PRO A 70 9.691 2.983 1.748 1.00 0.00 C ATOM 1112 C PRO A 70 10.239 2.419 3.061 1.00 0.00 C ATOM 1113 O PRO A 70 9.607 1.575 3.696 1.00 0.00 O ATOM 1114 CB PRO A 70 10.601 2.595 0.581 1.00 0.00 C ATOM 1115 CG PRO A 70 10.443 3.701 -0.402 1.00 0.00 C ATOM 1116 CD PRO A 70 10.248 4.950 0.413 1.00 0.00 C ATOM 0 HA PRO A 70 8.680 2.580 1.692 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.638 2.496 0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.308 1.637 0.151 1.00 0.00 H new ATOM 0 HG2 PRO A 70 11.322 3.785 -1.041 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.589 3.524 -1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.190 5.476 0.572 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.572 5.649 -0.080 1.00 0.00 H new ATOM 1124 N ASN A 71 11.394 2.909 3.479 1.00 0.00 N ATOM 1125 CA ASN A 71 12.107 2.319 4.610 1.00 0.00 C ATOM 1126 C ASN A 71 11.664 2.898 5.952 1.00 0.00 C ATOM 1127 O ASN A 71 12.219 2.543 6.993 1.00 0.00 O ATOM 1128 CB ASN A 71 13.619 2.498 4.438 1.00 0.00 C ATOM 1129 CG ASN A 71 14.010 3.949 4.235 1.00 0.00 C ATOM 1130 OD1 ASN A 71 14.271 4.678 5.191 1.00 0.00 O ATOM 1131 ND2 ASN A 71 14.074 4.371 2.981 1.00 0.00 N ATOM 0 H ASN A 71 11.861 3.712 3.056 1.00 0.00 H new ATOM 0 HA ASN A 71 11.861 1.257 4.619 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.131 2.106 5.317 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.957 1.911 3.584 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.348 5.333 2.780 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.849 3.734 2.217 1.00 0.00 H new ATOM 1138 N ASP A 72 10.660 3.766 5.947 1.00 0.00 N ATOM 1139 CA ASP A 72 10.177 4.352 7.193 1.00 0.00 C ATOM 1140 C ASP A 72 8.871 3.688 7.608 1.00 0.00 C ATOM 1141 O ASP A 72 8.066 3.298 6.761 1.00 0.00 O ATOM 1142 CB ASP A 72 9.985 5.868 7.059 1.00 0.00 C ATOM 1143 CG ASP A 72 9.693 6.531 8.396 1.00 0.00 C ATOM 1144 OD1 ASP A 72 10.623 6.636 9.225 1.00 0.00 O ATOM 1145 OD2 ASP A 72 8.538 6.938 8.633 1.00 0.00 O ATOM 0 H ASP A 72 10.170 4.077 5.108 1.00 0.00 H new ATOM 0 HA ASP A 72 10.928 4.178 7.964 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.882 6.309 6.625 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.165 6.069 6.369 1.00 0.00 H new ATOM 1150 N LEU A 73 8.678 3.535 8.910 1.00 0.00 N ATOM 1151 CA LEU A 73 7.490 2.879 9.436 1.00 0.00 C ATOM 1152 C LEU A 73 6.408 3.905 9.765 1.00 0.00 C ATOM 1153 O LEU A 73 6.551 4.696 10.702 1.00 0.00 O ATOM 1154 CB LEU A 73 7.840 2.069 10.689 1.00 0.00 C ATOM 1155 CG LEU A 73 6.709 1.191 11.232 1.00 0.00 C ATOM 1156 CD1 LEU A 73 6.392 0.070 10.255 1.00 0.00 C ATOM 1157 CD2 LEU A 73 7.078 0.625 12.595 1.00 0.00 C ATOM 0 H LEU A 73 9.331 3.858 9.624 1.00 0.00 H new ATOM 0 HA LEU A 73 7.108 2.203 8.671 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.696 1.433 10.464 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.152 2.759 11.473 1.00 0.00 H new ATOM 0 HG LEU A 73 5.819 1.809 11.349 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.586 -0.545 10.656 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.083 0.496 9.300 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.279 -0.546 10.107 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.262 0.004 12.964 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.981 0.022 12.506 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.256 1.443 13.293 1.00 0.00 H new ATOM 1169 N TYR A 74 5.328 3.887 8.996 1.00 0.00 N ATOM 1170 CA TYR A 74 4.228 4.824 9.198 1.00 0.00 C ATOM 1171 C TYR A 74 3.042 4.128 9.850 1.00 0.00 C ATOM 1172 O TYR A 74 2.870 2.924 9.695 1.00 0.00 O ATOM 1173 CB TYR A 74 3.791 5.432 7.864 1.00 0.00 C ATOM 1174 CG TYR A 74 4.870 6.241 7.191 1.00 0.00 C ATOM 1175 CD1 TYR A 74 5.085 7.567 7.538 1.00 0.00 C ATOM 1176 CD2 TYR A 74 5.672 5.680 6.207 1.00 0.00 C ATOM 1177 CE1 TYR A 74 6.070 8.311 6.925 1.00 0.00 C ATOM 1178 CE2 TYR A 74 6.660 6.417 5.591 1.00 0.00 C ATOM 1179 CZ TYR A 74 6.855 7.732 5.952 1.00 0.00 C ATOM 1180 OH TYR A 74 7.838 8.469 5.338 1.00 0.00 O ATOM 0 H TYR A 74 5.189 3.234 8.225 1.00 0.00 H new ATOM 0 HA TYR A 74 4.580 5.618 9.856 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.477 4.631 7.194 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.922 6.068 8.031 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.471 8.023 8.300 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.519 4.650 5.920 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.226 9.342 7.206 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.278 5.966 4.829 1.00 0.00 H new ATOM 0 HH TYR A 74 8.627 8.510 5.918 1.00 0.00 H new ATOM 1190 N PRO A 75 2.225 4.872 10.607 1.00 0.00 N ATOM 1191 CA PRO A 75 1.005 4.342 11.202 1.00 0.00 C ATOM 1192 C PRO A 75 -0.186 4.421 10.245 1.00 0.00 C ATOM 1193 O PRO A 75 -0.279 5.336 9.424 1.00 0.00 O ATOM 1194 CB PRO A 75 0.795 5.261 12.402 1.00 0.00 C ATOM 1195 CG PRO A 75 1.350 6.576 11.974 1.00 0.00 C ATOM 1196 CD PRO A 75 2.436 6.287 10.967 1.00 0.00 C ATOM 0 HA PRO A 75 1.087 3.286 11.459 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.261 5.342 12.659 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.310 4.883 13.285 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.571 7.199 11.534 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.751 7.122 12.828 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.355 6.937 10.095 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.427 6.447 11.392 1.00 0.00 H new ATOM 1204 N LEU A 76 -1.085 3.455 10.348 1.00 0.00 N ATOM 1205 CA LEU A 76 -2.290 3.442 9.532 1.00 0.00 C ATOM 1206 C LEU A 76 -3.449 4.080 10.290 1.00 0.00 C ATOM 1207 O LEU A 76 -3.714 3.728 11.441 1.00 0.00 O ATOM 1208 CB LEU A 76 -2.644 2.009 9.115 1.00 0.00 C ATOM 1209 CG LEU A 76 -1.664 1.356 8.134 1.00 0.00 C ATOM 1210 CD1 LEU A 76 -2.051 -0.092 7.875 1.00 0.00 C ATOM 1211 CD2 LEU A 76 -1.623 2.138 6.826 1.00 0.00 C ATOM 0 H LEU A 76 -1.003 2.667 10.991 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.103 4.024 8.630 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.703 1.391 10.011 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.636 2.013 8.664 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.669 1.371 8.579 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.343 -0.538 7.176 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.033 -0.647 8.813 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.054 -0.130 7.450 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.923 1.662 6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.617 2.152 6.379 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.300 3.160 7.023 1.00 0.00 H new ATOM 1223 N PRO A 77 -4.147 5.031 9.649 1.00 0.00 N ATOM 1224 CA PRO A 77 -5.244 5.778 10.279 1.00 0.00 C ATOM 1225 C PRO A 77 -6.485 4.923 10.530 1.00 0.00 C ATOM 1226 O PRO A 77 -7.295 5.237 11.404 1.00 0.00 O ATOM 1227 CB PRO A 77 -5.560 6.876 9.261 1.00 0.00 C ATOM 1228 CG PRO A 77 -5.100 6.333 7.953 1.00 0.00 C ATOM 1229 CD PRO A 77 -3.911 5.464 8.259 1.00 0.00 C ATOM 0 HA PRO A 77 -4.956 6.149 11.263 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.626 7.101 9.242 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.043 7.803 9.507 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.890 5.757 7.470 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.829 7.138 7.270 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.850 4.614 7.579 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.976 6.016 8.164 1.00 0.00 H new ATOM 1237 N GLY A 78 -6.635 3.848 9.770 1.00 0.00 N ATOM 1238 CA GLY A 78 -7.800 3.008 9.927 1.00 0.00 C ATOM 1239 C GLY A 78 -7.688 1.702 9.174 1.00 0.00 C ATOM 1240 O GLY A 78 -6.663 1.418 8.556 1.00 0.00 O ATOM 0 H GLY A 78 -5.975 3.546 9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.951 2.799 10.986 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.681 3.548 9.579 1.00 0.00 H new ATOM 1244 N GLU A 79 -8.751 0.912 9.238 1.00 0.00 N ATOM 1245 CA GLU A 79 -8.794 -0.395 8.597 1.00 0.00 C ATOM 1246 C GLU A 79 -9.156 -0.254 7.123 1.00 0.00 C ATOM 1247 O GLU A 79 -8.682 -1.008 6.276 1.00 0.00 O ATOM 1248 CB GLU A 79 -9.829 -1.304 9.279 1.00 0.00 C ATOM 1249 CG GLU A 79 -10.073 -1.010 10.753 1.00 0.00 C ATOM 1250 CD GLU A 79 -11.066 0.117 10.963 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -12.285 -0.141 10.920 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -10.632 1.271 11.154 1.00 0.00 O ATOM 0 H GLU A 79 -9.607 1.159 9.735 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.804 -0.842 8.690 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.775 -1.216 8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.502 -2.339 9.180 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.441 -1.911 11.244 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.128 -0.751 11.230 1.00 0.00 H new ATOM 1259 N THR A 80 -10.002 0.720 6.829 1.00 0.00 N ATOM 1260 CA THR A 80 -10.491 0.943 5.477 1.00 0.00 C ATOM 1261 C THR A 80 -9.645 1.985 4.748 1.00 0.00 C ATOM 1262 O THR A 80 -10.164 2.824 4.009 1.00 0.00 O ATOM 1263 CB THR A 80 -11.965 1.392 5.519 1.00 0.00 C ATOM 1264 OG1 THR A 80 -12.181 2.242 6.656 1.00 0.00 O ATOM 1265 CG2 THR A 80 -12.900 0.194 5.593 1.00 0.00 C ATOM 0 H THR A 80 -10.368 1.377 7.518 1.00 0.00 H new ATOM 0 HA THR A 80 -10.415 0.004 4.928 1.00 0.00 H new ATOM 0 HB THR A 80 -12.181 1.941 4.602 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.118 2.527 6.678 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.933 0.540 5.621 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.753 -0.437 4.717 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.685 -0.380 6.494 1.00 0.00 H new ATOM 1273 N PHE A 81 -8.333 1.901 4.941 1.00 0.00 N ATOM 1274 CA PHE A 81 -7.403 2.872 4.376 1.00 0.00 C ATOM 1275 C PHE A 81 -7.210 2.650 2.878 1.00 0.00 C ATOM 1276 O PHE A 81 -7.543 1.589 2.339 1.00 0.00 O ATOM 1277 CB PHE A 81 -6.051 2.807 5.098 1.00 0.00 C ATOM 1278 CG PHE A 81 -5.330 1.496 4.942 1.00 0.00 C ATOM 1279 CD1 PHE A 81 -5.657 0.411 5.739 1.00 0.00 C ATOM 1280 CD2 PHE A 81 -4.325 1.348 3.998 1.00 0.00 C ATOM 1281 CE1 PHE A 81 -4.995 -0.795 5.601 1.00 0.00 C ATOM 1282 CE2 PHE A 81 -3.660 0.146 3.857 1.00 0.00 C ATOM 1283 CZ PHE A 81 -3.996 -0.927 4.657 1.00 0.00 C ATOM 0 H PHE A 81 -7.887 1.165 5.488 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.833 3.863 4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.413 3.607 4.722 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.209 2.998 6.159 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.439 0.508 6.478 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.059 2.182 3.366 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.259 -1.632 6.230 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.877 0.046 3.120 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.479 -1.868 4.545 1.00 0.00 H new ATOM 1293 N ARG A 82 -6.667 3.657 2.206 1.00 0.00 N ATOM 1294 CA ARG A 82 -6.462 3.590 0.768 1.00 0.00 C ATOM 1295 C ARG A 82 -5.034 4.005 0.434 1.00 0.00 C ATOM 1296 O ARG A 82 -4.457 4.859 1.110 1.00 0.00 O ATOM 1297 CB ARG A 82 -7.457 4.500 0.019 1.00 0.00 C ATOM 1298 CG ARG A 82 -8.898 4.406 0.513 1.00 0.00 C ATOM 1299 CD ARG A 82 -9.151 5.375 1.662 1.00 0.00 C ATOM 1300 NE ARG A 82 -10.443 5.155 2.316 1.00 0.00 N ATOM 1301 CZ ARG A 82 -11.179 6.126 2.863 1.00 0.00 C ATOM 1302 NH1 ARG A 82 -10.767 7.385 2.820 1.00 0.00 N ATOM 1303 NH2 ARG A 82 -12.329 5.836 3.457 1.00 0.00 N ATOM 0 H ARG A 82 -6.361 4.530 2.636 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.633 2.563 0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.123 5.534 0.109 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.433 4.248 -1.041 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -9.581 4.624 -0.308 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -9.107 3.387 0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.354 5.274 2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -9.109 6.397 1.285 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.803 4.201 2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.883 7.617 2.367 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.334 8.122 3.240 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.653 4.870 3.497 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.889 6.579 3.874 1.00 0.00 H new ATOM 1317 N LEU A 83 -4.463 3.389 -0.589 1.00 0.00 N ATOM 1318 CA LEU A 83 -3.116 3.722 -1.024 1.00 0.00 C ATOM 1319 C LEU A 83 -3.151 4.285 -2.436 1.00 0.00 C ATOM 1320 O LEU A 83 -3.906 3.808 -3.281 1.00 0.00 O ATOM 1321 CB LEU A 83 -2.212 2.488 -0.968 1.00 0.00 C ATOM 1322 CG LEU A 83 -2.014 1.889 0.425 1.00 0.00 C ATOM 1323 CD1 LEU A 83 -1.132 0.654 0.347 1.00 0.00 C ATOM 1324 CD2 LEU A 83 -1.410 2.919 1.370 1.00 0.00 C ATOM 0 H LEU A 83 -4.913 2.654 -1.135 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.709 4.477 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.630 1.721 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.236 2.754 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.988 1.596 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.999 0.238 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.603 -0.089 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.160 0.926 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.277 2.474 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.443 3.244 0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.077 3.778 1.447 1.00 0.00 H new ATOM 1336 N TYR A 84 -2.356 5.309 -2.683 1.00 0.00 N ATOM 1337 CA TYR A 84 -2.319 5.942 -3.994 1.00 0.00 C ATOM 1338 C TYR A 84 -0.942 5.801 -4.629 1.00 0.00 C ATOM 1339 O TYR A 84 0.024 6.420 -4.188 1.00 0.00 O ATOM 1340 CB TYR A 84 -2.712 7.418 -3.887 1.00 0.00 C ATOM 1341 CG TYR A 84 -4.170 7.626 -3.542 1.00 0.00 C ATOM 1342 CD1 TYR A 84 -5.133 7.693 -4.541 1.00 0.00 C ATOM 1343 CD2 TYR A 84 -4.587 7.737 -2.222 1.00 0.00 C ATOM 1344 CE1 TYR A 84 -6.469 7.862 -4.233 1.00 0.00 C ATOM 1345 CE2 TYR A 84 -5.921 7.910 -1.907 1.00 0.00 C ATOM 1346 CZ TYR A 84 -6.856 7.970 -2.916 1.00 0.00 C ATOM 1347 OH TYR A 84 -8.188 8.133 -2.605 1.00 0.00 O ATOM 0 H TYR A 84 -1.726 5.722 -1.995 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.040 5.436 -4.635 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.094 7.897 -3.127 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.495 7.914 -4.833 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -4.832 7.612 -5.575 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -3.856 7.687 -1.428 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.206 7.909 -5.021 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.229 7.998 -0.875 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.737 7.636 -3.247 1.00 0.00 H new ATOM 1357 N TYR A 85 -0.860 4.978 -5.665 1.00 0.00 N ATOM 1358 CA TYR A 85 0.395 4.731 -6.359 1.00 0.00 C ATOM 1359 C TYR A 85 0.522 5.638 -7.578 1.00 0.00 C ATOM 1360 O TYR A 85 -0.162 5.445 -8.583 1.00 0.00 O ATOM 1361 CB TYR A 85 0.474 3.258 -6.776 1.00 0.00 C ATOM 1362 CG TYR A 85 1.739 2.879 -7.519 1.00 0.00 C ATOM 1363 CD1 TYR A 85 2.936 2.691 -6.842 1.00 0.00 C ATOM 1364 CD2 TYR A 85 1.728 2.695 -8.898 1.00 0.00 C ATOM 1365 CE1 TYR A 85 4.088 2.331 -7.514 1.00 0.00 C ATOM 1366 CE2 TYR A 85 2.875 2.337 -9.577 1.00 0.00 C ATOM 1367 CZ TYR A 85 4.052 2.156 -8.882 1.00 0.00 C ATOM 1368 OH TYR A 85 5.195 1.794 -9.554 1.00 0.00 O ATOM 0 H TYR A 85 -1.656 4.466 -6.046 1.00 0.00 H new ATOM 0 HA TYR A 85 1.221 4.954 -5.684 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.392 2.637 -5.884 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.385 3.026 -7.406 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.967 2.829 -5.771 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.808 2.834 -9.446 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.011 2.187 -6.972 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.851 2.199 -10.648 1.00 0.00 H new ATOM 0 HH TYR A 85 5.000 1.711 -10.511 1.00 0.00 H new ATOM 1378 N THR A 86 1.378 6.642 -7.476 1.00 0.00 N ATOM 1379 CA THR A 86 1.623 7.546 -8.585 1.00 0.00 C ATOM 1380 C THR A 86 2.716 6.991 -9.498 1.00 0.00 C ATOM 1381 O THR A 86 3.894 6.983 -9.139 1.00 0.00 O ATOM 1382 CB THR A 86 2.038 8.942 -8.081 1.00 0.00 C ATOM 1383 OG1 THR A 86 1.125 9.388 -7.066 1.00 0.00 O ATOM 1384 CG2 THR A 86 2.056 9.951 -9.220 1.00 0.00 C ATOM 0 H THR A 86 1.915 6.851 -6.634 1.00 0.00 H new ATOM 0 HA THR A 86 0.694 7.637 -9.147 1.00 0.00 H new ATOM 0 HB THR A 86 3.043 8.866 -7.666 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.396 10.275 -6.749 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.352 10.927 -8.836 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.768 9.629 -9.980 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.061 10.021 -9.660 1.00 0.00 H new ATOM 1392 N SER A 87 2.312 6.512 -10.666 1.00 0.00 N ATOM 1393 CA SER A 87 3.238 5.924 -11.624 1.00 0.00 C ATOM 1394 C SER A 87 4.193 6.983 -12.177 1.00 0.00 C ATOM 1395 O SER A 87 3.760 8.060 -12.599 1.00 0.00 O ATOM 1396 CB SER A 87 2.439 5.283 -12.759 1.00 0.00 C ATOM 1397 OG SER A 87 1.324 4.575 -12.239 1.00 0.00 O ATOM 0 H SER A 87 1.340 6.520 -10.975 1.00 0.00 H new ATOM 0 HA SER A 87 3.838 5.164 -11.123 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.099 6.052 -13.452 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.078 4.604 -13.324 1.00 0.00 H new ATOM 0 HG SER A 87 0.553 5.177 -12.179 1.00 0.00 H new ATOM 1403 N ALA A 88 5.490 6.685 -12.158 1.00 0.00 N ATOM 1404 CA ALA A 88 6.494 7.629 -12.632 1.00 0.00 C ATOM 1405 C ALA A 88 7.559 6.939 -13.484 1.00 0.00 C ATOM 1406 O ALA A 88 8.676 7.439 -13.621 1.00 0.00 O ATOM 1407 CB ALA A 88 7.137 8.337 -11.452 1.00 0.00 C ATOM 0 H ALA A 88 5.868 5.800 -11.820 1.00 0.00 H new ATOM 0 HA ALA A 88 5.994 8.363 -13.264 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.886 9.041 -11.814 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.374 8.876 -10.891 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.613 7.603 -10.802 1.00 0.00 H new ATOM 1413 N SER A 89 7.205 5.804 -14.065 1.00 0.00 N ATOM 1414 CA SER A 89 8.109 5.064 -14.939 1.00 0.00 C ATOM 1415 C SER A 89 7.407 4.818 -16.269 1.00 0.00 C ATOM 1416 O SER A 89 6.278 5.265 -16.446 1.00 0.00 O ATOM 1417 CB SER A 89 8.500 3.732 -14.281 1.00 0.00 C ATOM 1418 OG SER A 89 9.544 3.088 -14.989 1.00 0.00 O ATOM 0 H SER A 89 6.290 5.370 -13.947 1.00 0.00 H new ATOM 0 HA SER A 89 9.019 5.639 -15.109 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.814 3.912 -13.253 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.630 3.077 -14.239 1.00 0.00 H new ATOM 0 HG SER A 89 9.770 2.245 -14.543 1.00 0.00 H new ATOM 1424 N THR A 90 8.058 4.129 -17.208 1.00 0.00 N ATOM 1425 CA THR A 90 7.374 3.717 -18.425 1.00 0.00 C ATOM 1426 C THR A 90 6.227 2.804 -18.033 1.00 0.00 C ATOM 1427 O THR A 90 5.146 2.860 -18.618 1.00 0.00 O ATOM 1428 CB THR A 90 8.329 2.985 -19.384 1.00 0.00 C ATOM 1429 OG1 THR A 90 9.157 2.075 -18.646 1.00 0.00 O ATOM 1430 CG2 THR A 90 9.200 3.971 -20.142 1.00 0.00 C ATOM 0 H THR A 90 9.038 3.851 -17.148 1.00 0.00 H new ATOM 0 HA THR A 90 7.003 4.598 -18.948 1.00 0.00 H new ATOM 0 HB THR A 90 7.730 2.430 -20.106 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.762 1.610 -19.261 1.00 0.00 H new ATOM 0 HG21 THR A 90 9.866 3.428 -20.813 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.568 4.643 -20.723 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.792 4.552 -19.435 1.00 0.00 H new ATOM 1438 N ASP A 91 6.556 1.909 -17.100 1.00 0.00 N ATOM 1439 CA ASP A 91 5.647 1.342 -16.100 1.00 0.00 C ATOM 1440 C ASP A 91 6.066 -0.063 -15.746 1.00 0.00 C ATOM 1441 O ASP A 91 5.556 -1.048 -16.291 1.00 0.00 O ATOM 1442 CB ASP A 91 4.182 1.332 -16.480 1.00 0.00 C ATOM 1443 CG ASP A 91 3.455 2.592 -16.043 1.00 0.00 C ATOM 1444 OD1 ASP A 91 3.330 2.810 -14.822 1.00 0.00 O ATOM 1445 OD2 ASP A 91 3.014 3.366 -16.921 1.00 0.00 O ATOM 0 H ASP A 91 7.504 1.543 -17.016 1.00 0.00 H new ATOM 0 HA ASP A 91 5.732 2.015 -15.247 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.092 1.222 -17.561 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.700 0.464 -16.030 1.00 0.00 H new ATOM 1450 N GLN A 92 7.030 -0.138 -14.874 1.00 0.00 N ATOM 1451 CA GLN A 92 7.407 -1.381 -14.232 1.00 0.00 C ATOM 1452 C GLN A 92 6.896 -1.347 -12.804 1.00 0.00 C ATOM 1453 O GLN A 92 7.285 -0.468 -12.032 1.00 0.00 O ATOM 1454 CB GLN A 92 8.928 -1.589 -14.264 1.00 0.00 C ATOM 1455 CG GLN A 92 9.344 -3.056 -14.327 1.00 0.00 C ATOM 1456 CD GLN A 92 8.936 -3.859 -13.104 1.00 0.00 C ATOM 1457 OE1 GLN A 92 8.886 -3.344 -11.991 1.00 0.00 O ATOM 1458 NE2 GLN A 92 8.625 -5.129 -13.307 1.00 0.00 N ATOM 0 H GLN A 92 7.586 0.665 -14.581 1.00 0.00 H new ATOM 0 HA GLN A 92 6.964 -2.219 -14.769 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.339 -1.066 -15.127 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.367 -1.133 -13.376 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.903 -3.512 -15.214 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.426 -3.113 -14.444 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.678 -5.523 -14.246 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.332 -5.714 -12.524 1.00 0.00 H new ATOM 1467 N GLN A 93 6.016 -2.259 -12.446 1.00 0.00 N ATOM 1468 CA GLN A 93 5.503 -2.274 -11.093 1.00 0.00 C ATOM 1469 C GLN A 93 5.830 -3.592 -10.405 1.00 0.00 C ATOM 1470 O GLN A 93 5.277 -4.644 -10.733 1.00 0.00 O ATOM 1471 CB GLN A 93 3.992 -2.028 -11.082 1.00 0.00 C ATOM 1472 CG GLN A 93 3.547 -0.824 -11.906 1.00 0.00 C ATOM 1473 CD GLN A 93 3.183 -1.186 -13.338 1.00 0.00 C ATOM 1474 OE1 GLN A 93 3.683 -2.162 -13.898 1.00 0.00 O ATOM 1475 NE2 GLN A 93 2.325 -0.388 -13.950 1.00 0.00 N ATOM 0 H GLN A 93 5.647 -2.986 -13.059 1.00 0.00 H new ATOM 0 HA GLN A 93 5.987 -1.468 -10.541 1.00 0.00 H new ATOM 0 HB2 GLN A 93 3.488 -2.918 -11.459 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.666 -1.889 -10.051 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.687 -0.359 -11.425 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.346 -0.082 -11.916 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.930 0.412 -13.455 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.058 -0.572 -14.917 1.00 0.00 H new ATOM 1484 N THR A 94 6.757 -3.519 -9.467 1.00 0.00 N ATOM 1485 CA THR A 94 7.080 -4.631 -8.589 1.00 0.00 C ATOM 1486 C THR A 94 7.405 -4.085 -7.203 1.00 0.00 C ATOM 1487 O THR A 94 8.468 -3.486 -6.999 1.00 0.00 O ATOM 1488 CB THR A 94 8.275 -5.450 -9.127 1.00 0.00 C ATOM 1489 OG1 THR A 94 8.020 -5.846 -10.485 1.00 0.00 O ATOM 1490 CG2 THR A 94 8.518 -6.691 -8.273 1.00 0.00 C ATOM 0 H THR A 94 7.311 -2.681 -9.291 1.00 0.00 H new ATOM 0 HA THR A 94 6.220 -5.299 -8.540 1.00 0.00 H new ATOM 0 HB THR A 94 9.165 -4.822 -9.085 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.596 -6.604 -10.718 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.364 -7.249 -8.674 1.00 0.00 H new ATOM 0 HG22 THR A 94 8.734 -6.391 -7.248 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.629 -7.322 -8.286 1.00 0.00 H new ATOM 1498 N VAL A 95 6.479 -4.258 -6.265 1.00 0.00 N ATOM 1499 CA VAL A 95 6.624 -3.680 -4.932 1.00 0.00 C ATOM 1500 C VAL A 95 6.172 -4.663 -3.855 1.00 0.00 C ATOM 1501 O VAL A 95 5.126 -5.298 -3.986 1.00 0.00 O ATOM 1502 CB VAL A 95 5.796 -2.377 -4.784 1.00 0.00 C ATOM 1503 CG1 VAL A 95 6.036 -1.733 -3.428 1.00 0.00 C ATOM 1504 CG2 VAL A 95 6.112 -1.389 -5.897 1.00 0.00 C ATOM 0 H VAL A 95 5.621 -4.793 -6.402 1.00 0.00 H new ATOM 0 HA VAL A 95 7.682 -3.453 -4.804 1.00 0.00 H new ATOM 0 HB VAL A 95 4.743 -2.650 -4.860 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.444 -0.821 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.743 -2.426 -2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.093 -1.490 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 95 5.515 -0.487 -5.763 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.171 -1.131 -5.865 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.877 -1.840 -6.861 1.00 0.00 H new ATOM 1514 N ASP A 96 6.966 -4.780 -2.800 1.00 0.00 N ATOM 1515 CA ASP A 96 6.583 -5.563 -1.636 1.00 0.00 C ATOM 1516 C ASP A 96 6.104 -4.634 -0.536 1.00 0.00 C ATOM 1517 O ASP A 96 6.884 -3.854 0.015 1.00 0.00 O ATOM 1518 CB ASP A 96 7.750 -6.408 -1.114 1.00 0.00 C ATOM 1519 CG ASP A 96 7.954 -7.694 -1.890 1.00 0.00 C ATOM 1520 OD1 ASP A 96 7.120 -8.617 -1.752 1.00 0.00 O ATOM 1521 OD2 ASP A 96 8.972 -7.801 -2.605 1.00 0.00 O ATOM 0 H ASP A 96 7.883 -4.340 -2.727 1.00 0.00 H new ATOM 0 HA ASP A 96 5.782 -6.239 -1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.665 -5.817 -1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 96 7.575 -6.649 -0.065 1.00 0.00 H new ATOM 1526 N VAL A 97 4.821 -4.699 -0.231 1.00 0.00 N ATOM 1527 CA VAL A 97 4.246 -3.844 0.791 1.00 0.00 C ATOM 1528 C VAL A 97 4.006 -4.632 2.071 1.00 0.00 C ATOM 1529 O VAL A 97 3.230 -5.588 2.088 1.00 0.00 O ATOM 1530 CB VAL A 97 2.923 -3.195 0.327 1.00 0.00 C ATOM 1531 CG1 VAL A 97 2.408 -2.224 1.380 1.00 0.00 C ATOM 1532 CG2 VAL A 97 3.111 -2.489 -1.008 1.00 0.00 C ATOM 0 H VAL A 97 4.158 -5.334 -0.676 1.00 0.00 H new ATOM 0 HA VAL A 97 4.964 -3.046 0.981 1.00 0.00 H new ATOM 0 HB VAL A 97 2.182 -3.983 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.476 -1.776 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.232 -2.759 2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.148 -1.441 1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.168 -2.039 -1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.868 -1.711 -0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.432 -3.211 -1.759 1.00 0.00 H new ATOM 1542 N TYR A 98 4.694 -4.240 3.132 1.00 0.00 N ATOM 1543 CA TYR A 98 4.541 -4.890 4.422 1.00 0.00 C ATOM 1544 C TYR A 98 3.500 -4.166 5.257 1.00 0.00 C ATOM 1545 O TYR A 98 3.578 -2.950 5.453 1.00 0.00 O ATOM 1546 CB TYR A 98 5.867 -4.915 5.192 1.00 0.00 C ATOM 1547 CG TYR A 98 6.982 -5.674 4.510 1.00 0.00 C ATOM 1548 CD1 TYR A 98 7.813 -5.052 3.586 1.00 0.00 C ATOM 1549 CD2 TYR A 98 7.216 -7.008 4.809 1.00 0.00 C ATOM 1550 CE1 TYR A 98 8.844 -5.742 2.979 1.00 0.00 C ATOM 1551 CE2 TYR A 98 8.243 -7.705 4.207 1.00 0.00 C ATOM 1552 CZ TYR A 98 9.057 -7.067 3.293 1.00 0.00 C ATOM 1553 OH TYR A 98 10.085 -7.752 2.689 1.00 0.00 O ATOM 0 H TYR A 98 5.366 -3.472 3.124 1.00 0.00 H new ATOM 0 HA TYR A 98 4.220 -5.915 4.237 1.00 0.00 H new ATOM 0 HB2 TYR A 98 6.194 -3.889 5.358 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.693 -5.357 6.173 1.00 0.00 H new ATOM 0 HD1 TYR A 98 7.650 -4.013 3.339 1.00 0.00 H new ATOM 0 HD2 TYR A 98 6.583 -7.510 5.526 1.00 0.00 H new ATOM 0 HE1 TYR A 98 9.480 -5.246 2.261 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.409 -8.744 4.450 1.00 0.00 H new ATOM 0 HH TYR A 98 10.102 -8.675 3.019 1.00 0.00 H new ATOM 1563 N PHE A 99 2.529 -4.913 5.740 1.00 0.00 N ATOM 1564 CA PHE A 99 1.552 -4.382 6.668 1.00 0.00 C ATOM 1565 C PHE A 99 1.803 -4.978 8.042 1.00 0.00 C ATOM 1566 O PHE A 99 1.665 -6.183 8.243 1.00 0.00 O ATOM 1567 CB PHE A 99 0.132 -4.683 6.194 1.00 0.00 C ATOM 1568 CG PHE A 99 -0.237 -3.958 4.928 1.00 0.00 C ATOM 1569 CD1 PHE A 99 -0.510 -2.600 4.951 1.00 0.00 C ATOM 1570 CD2 PHE A 99 -0.307 -4.630 3.719 1.00 0.00 C ATOM 1571 CE1 PHE A 99 -0.845 -1.927 3.791 1.00 0.00 C ATOM 1572 CE2 PHE A 99 -0.642 -3.961 2.554 1.00 0.00 C ATOM 1573 CZ PHE A 99 -0.913 -2.608 2.594 1.00 0.00 C ATOM 0 H PHE A 99 2.395 -5.896 5.503 1.00 0.00 H new ATOM 0 HA PHE A 99 1.654 -3.298 6.721 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.029 -5.756 6.033 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.572 -4.410 6.980 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.461 -2.061 5.886 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.098 -5.689 3.685 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.053 -0.868 3.822 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.691 -4.496 1.617 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.178 -2.083 1.688 1.00 0.00 H new ATOM 1583 N GLN A 100 2.186 -4.128 8.976 1.00 0.00 N ATOM 1584 CA GLN A 100 2.676 -4.582 10.265 1.00 0.00 C ATOM 1585 C GLN A 100 1.655 -4.295 11.365 1.00 0.00 C ATOM 1586 O GLN A 100 1.275 -3.147 11.588 1.00 0.00 O ATOM 1587 CB GLN A 100 4.006 -3.887 10.567 1.00 0.00 C ATOM 1588 CG GLN A 100 4.899 -4.635 11.542 1.00 0.00 C ATOM 1589 CD GLN A 100 6.237 -3.948 11.730 1.00 0.00 C ATOM 1590 OE1 GLN A 100 7.184 -4.184 10.975 1.00 0.00 O ATOM 1591 NE2 GLN A 100 6.329 -3.102 12.741 1.00 0.00 N ATOM 0 H GLN A 100 2.167 -3.114 8.866 1.00 0.00 H new ATOM 0 HA GLN A 100 2.831 -5.660 10.232 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.548 -3.745 9.632 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.800 -2.895 10.969 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.395 -4.717 12.505 1.00 0.00 H new ATOM 0 HG3 GLN A 100 5.061 -5.650 11.180 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.522 -2.935 13.342 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.207 -2.616 12.921 1.00 0.00 H new ATOM 1600 N ASP A 101 1.205 -5.344 12.033 1.00 0.00 N ATOM 1601 CA ASP A 101 0.253 -5.212 13.127 1.00 0.00 C ATOM 1602 C ASP A 101 1.000 -5.064 14.452 1.00 0.00 C ATOM 1603 O ASP A 101 2.122 -5.557 14.600 1.00 0.00 O ATOM 1604 CB ASP A 101 -0.671 -6.434 13.161 1.00 0.00 C ATOM 1605 CG ASP A 101 -1.749 -6.331 14.219 1.00 0.00 C ATOM 1606 OD1 ASP A 101 -1.460 -6.639 15.392 1.00 0.00 O ATOM 1607 OD2 ASP A 101 -2.890 -5.954 13.885 1.00 0.00 O ATOM 0 H ASP A 101 1.486 -6.305 11.836 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.355 -4.321 12.972 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.139 -6.556 12.184 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.075 -7.328 13.343 1.00 0.00 H new ATOM 1612 N SER A 102 0.373 -4.396 15.414 1.00 0.00 N ATOM 1613 CA SER A 102 1.003 -4.105 16.697 1.00 0.00 C ATOM 1614 C SER A 102 1.226 -5.380 17.521 1.00 0.00 C ATOM 1615 O SER A 102 1.998 -5.379 18.482 1.00 0.00 O ATOM 1616 CB SER A 102 0.139 -3.108 17.478 1.00 0.00 C ATOM 1617 OG SER A 102 0.803 -2.627 18.635 1.00 0.00 O ATOM 0 H SER A 102 -0.580 -4.043 15.328 1.00 0.00 H new ATOM 0 HA SER A 102 1.982 -3.667 16.505 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.120 -2.269 16.833 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.796 -3.587 17.769 1.00 0.00 H new ATOM 0 HG SER A 102 1.502 -3.261 18.898 1.00 0.00 H new ATOM 1623 N PHE A 103 0.565 -6.469 17.135 1.00 0.00 N ATOM 1624 CA PHE A 103 0.688 -7.735 17.854 1.00 0.00 C ATOM 1625 C PHE A 103 1.981 -8.460 17.466 1.00 0.00 C ATOM 1626 O PHE A 103 2.357 -9.454 18.086 1.00 0.00 O ATOM 1627 CB PHE A 103 -0.534 -8.621 17.572 1.00 0.00 C ATOM 1628 CG PHE A 103 -0.627 -9.842 18.445 1.00 0.00 C ATOM 1629 CD1 PHE A 103 -0.981 -9.727 19.780 1.00 0.00 C ATOM 1630 CD2 PHE A 103 -0.366 -11.102 17.931 1.00 0.00 C ATOM 1631 CE1 PHE A 103 -1.072 -10.845 20.585 1.00 0.00 C ATOM 1632 CE2 PHE A 103 -0.456 -12.224 18.732 1.00 0.00 C ATOM 1633 CZ PHE A 103 -0.808 -12.095 20.061 1.00 0.00 C ATOM 0 H PHE A 103 -0.060 -6.500 16.330 1.00 0.00 H new ATOM 0 HA PHE A 103 0.730 -7.524 18.923 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -1.438 -8.026 17.702 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.507 -8.936 16.529 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -1.188 -8.752 20.195 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.089 -11.208 16.893 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -1.349 -10.742 21.624 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -0.251 -13.201 18.319 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.877 -12.970 20.690 1.00 0.00 H new ATOM 1643 N GLY A 104 2.661 -7.953 16.445 1.00 0.00 N ATOM 1644 CA GLY A 104 3.925 -8.538 16.032 1.00 0.00 C ATOM 1645 C GLY A 104 3.797 -9.359 14.770 1.00 0.00 C ATOM 1646 O GLY A 104 4.713 -10.093 14.399 1.00 0.00 O ATOM 0 H GLY A 104 2.361 -7.148 15.895 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.654 -7.744 15.873 1.00 0.00 H new ATOM 0 HA3 GLY A 104 4.310 -9.168 16.834 1.00 0.00 H new ATOM 1650 N GLN A 105 2.652 -9.248 14.118 1.00 0.00 N ATOM 1651 CA GLN A 105 2.416 -9.941 12.863 1.00 0.00 C ATOM 1652 C GLN A 105 2.535 -8.973 11.698 1.00 0.00 C ATOM 1653 O GLN A 105 1.892 -7.928 11.692 1.00 0.00 O ATOM 1654 CB GLN A 105 1.029 -10.580 12.862 1.00 0.00 C ATOM 1655 CG GLN A 105 0.924 -11.829 13.715 1.00 0.00 C ATOM 1656 CD GLN A 105 1.581 -13.030 13.070 1.00 0.00 C ATOM 1657 OE1 GLN A 105 2.765 -13.298 13.277 1.00 0.00 O ATOM 1658 NE2 GLN A 105 0.812 -13.759 12.277 1.00 0.00 N ATOM 0 H GLN A 105 1.867 -8.681 14.439 1.00 0.00 H new ATOM 0 HA GLN A 105 3.167 -10.724 12.755 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.303 -9.848 13.217 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.756 -10.829 11.837 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.387 -11.643 14.684 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -0.127 -12.050 13.901 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.164 -13.500 12.134 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.195 -14.580 11.809 1.00 0.00 H new ATOM 1667 N LEU A 106 3.366 -9.304 10.722 1.00 0.00 N ATOM 1668 CA LEU A 106 3.499 -8.467 9.542 1.00 0.00 C ATOM 1669 C LEU A 106 3.203 -9.274 8.284 1.00 0.00 C ATOM 1670 O LEU A 106 3.663 -10.408 8.131 1.00 0.00 O ATOM 1671 CB LEU A 106 4.891 -7.813 9.478 1.00 0.00 C ATOM 1672 CG LEU A 106 6.076 -8.737 9.176 1.00 0.00 C ATOM 1673 CD1 LEU A 106 6.391 -8.740 7.687 1.00 0.00 C ATOM 1674 CD2 LEU A 106 7.294 -8.311 9.980 1.00 0.00 C ATOM 0 H LEU A 106 3.953 -10.138 10.723 1.00 0.00 H new ATOM 0 HA LEU A 106 2.767 -7.662 9.607 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.865 -7.034 8.716 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.079 -7.320 10.432 1.00 0.00 H new ATOM 0 HG LEU A 106 5.805 -9.752 9.467 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.235 -9.402 7.495 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.521 -9.091 7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.643 -7.729 7.366 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.128 -8.976 9.756 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.564 -7.288 9.717 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.064 -8.363 11.044 1.00 0.00 H new ATOM 1686 N GLN A 107 2.420 -8.684 7.395 1.00 0.00 N ATOM 1687 CA GLN A 107 1.997 -9.349 6.174 1.00 0.00 C ATOM 1688 C GLN A 107 2.656 -8.707 4.963 1.00 0.00 C ATOM 1689 O GLN A 107 2.462 -7.521 4.695 1.00 0.00 O ATOM 1690 CB GLN A 107 0.475 -9.277 6.042 1.00 0.00 C ATOM 1691 CG GLN A 107 -0.069 -9.954 4.793 1.00 0.00 C ATOM 1692 CD GLN A 107 -1.575 -9.850 4.681 1.00 0.00 C ATOM 1693 OE1 GLN A 107 -2.139 -8.774 5.212 1.00 0.00 O flip ATOM 1694 NE2 GLN A 107 -2.229 -10.730 4.124 1.00 0.00 N flip ATOM 0 H GLN A 107 2.061 -7.735 7.499 1.00 0.00 H new ATOM 0 HA GLN A 107 2.302 -10.394 6.222 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.022 -9.738 6.920 1.00 0.00 H new ATOM 0 HB3 GLN A 107 0.170 -8.231 6.038 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.389 -9.504 3.912 1.00 0.00 H new ATOM 0 HG3 GLN A 107 0.219 -11.005 4.800 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -1.757 -11.543 3.728 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.243 -10.647 4.058 1.00 0.00 H new ATOM 1703 N GLN A 108 3.444 -9.493 4.250 1.00 0.00 N ATOM 1704 CA GLN A 108 4.107 -9.026 3.043 1.00 0.00 C ATOM 1705 C GLN A 108 3.228 -9.283 1.824 1.00 0.00 C ATOM 1706 O GLN A 108 3.064 -10.427 1.394 1.00 0.00 O ATOM 1707 CB GLN A 108 5.444 -9.747 2.880 1.00 0.00 C ATOM 1708 CG GLN A 108 6.273 -9.270 1.697 1.00 0.00 C ATOM 1709 CD GLN A 108 7.529 -10.101 1.502 1.00 0.00 C ATOM 1710 OE1 GLN A 108 8.081 -10.654 2.454 1.00 0.00 O ATOM 1711 NE2 GLN A 108 7.998 -10.185 0.269 1.00 0.00 N ATOM 0 H GLN A 108 3.642 -10.465 4.488 1.00 0.00 H new ATOM 0 HA GLN A 108 4.282 -7.954 3.128 1.00 0.00 H new ATOM 0 HB2 GLN A 108 6.026 -9.618 3.792 1.00 0.00 H new ATOM 0 HB3 GLN A 108 5.256 -10.815 2.770 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.668 -9.312 0.791 1.00 0.00 H new ATOM 0 HG3 GLN A 108 6.550 -8.227 1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 108 7.513 -9.713 -0.494 1.00 0.00 H new ATOM 0 HE22 GLN A 108 8.845 -10.722 0.081 1.00 0.00 H new ATOM 1720 N LEU A 109 2.665 -8.217 1.277 1.00 0.00 N ATOM 1721 CA LEU A 109 1.861 -8.315 0.069 1.00 0.00 C ATOM 1722 C LEU A 109 2.681 -7.877 -1.133 1.00 0.00 C ATOM 1723 O LEU A 109 3.089 -6.719 -1.235 1.00 0.00 O ATOM 1724 CB LEU A 109 0.584 -7.476 0.185 1.00 0.00 C ATOM 1725 CG LEU A 109 -0.485 -8.040 1.126 1.00 0.00 C ATOM 1726 CD1 LEU A 109 -1.665 -7.090 1.220 1.00 0.00 C ATOM 1727 CD2 LEU A 109 -0.953 -9.404 0.640 1.00 0.00 C ATOM 0 H LEU A 109 2.750 -7.272 1.651 1.00 0.00 H new ATOM 0 HA LEU A 109 1.563 -9.355 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.855 -6.477 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.149 -7.366 -0.808 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.045 -8.151 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.415 -7.507 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.327 -6.127 1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.101 -6.953 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.712 -9.791 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.375 -9.309 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.107 -10.090 0.612 1.00 0.00 H new ATOM 1739 N THR A 110 2.931 -8.812 -2.029 1.00 0.00 N ATOM 1740 CA THR A 110 3.743 -8.546 -3.200 1.00 0.00 C ATOM 1741 C THR A 110 2.866 -8.132 -4.373 1.00 0.00 C ATOM 1742 O THR A 110 1.971 -8.875 -4.785 1.00 0.00 O ATOM 1743 CB THR A 110 4.561 -9.791 -3.597 1.00 0.00 C ATOM 1744 OG1 THR A 110 5.254 -10.302 -2.451 1.00 0.00 O ATOM 1745 CG2 THR A 110 5.566 -9.459 -4.692 1.00 0.00 C ATOM 0 H THR A 110 2.581 -9.768 -1.967 1.00 0.00 H new ATOM 0 HA THR A 110 4.427 -7.734 -2.951 1.00 0.00 H new ATOM 0 HB THR A 110 3.871 -10.544 -3.978 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.108 -9.832 -2.348 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.129 -10.355 -4.953 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.037 -9.094 -5.572 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.252 -8.690 -4.336 1.00 0.00 H new ATOM 1753 N PHE A 111 3.108 -6.940 -4.892 1.00 0.00 N ATOM 1754 CA PHE A 111 2.370 -6.453 -6.044 1.00 0.00 C ATOM 1755 C PHE A 111 3.241 -6.506 -7.290 1.00 0.00 C ATOM 1756 O PHE A 111 4.279 -5.844 -7.363 1.00 0.00 O ATOM 1757 CB PHE A 111 1.881 -5.020 -5.812 1.00 0.00 C ATOM 1758 CG PHE A 111 0.855 -4.898 -4.725 1.00 0.00 C ATOM 1759 CD1 PHE A 111 -0.490 -5.069 -5.006 1.00 0.00 C ATOM 1760 CD2 PHE A 111 1.234 -4.607 -3.424 1.00 0.00 C ATOM 1761 CE1 PHE A 111 -1.440 -4.955 -4.011 1.00 0.00 C ATOM 1762 CE2 PHE A 111 0.288 -4.493 -2.423 1.00 0.00 C ATOM 1763 CZ PHE A 111 -1.051 -4.665 -2.719 1.00 0.00 C ATOM 0 H PHE A 111 3.810 -6.292 -4.534 1.00 0.00 H new ATOM 0 HA PHE A 111 1.502 -7.097 -6.187 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.736 -4.390 -5.564 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.460 -4.635 -6.741 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.800 -5.294 -6.016 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.279 -4.468 -3.190 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.486 -5.092 -4.243 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.594 -4.270 -1.412 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.793 -4.572 -1.939 1.00 0.00 H new ATOM 1773 N SER A 112 2.810 -7.296 -8.262 1.00 0.00 N ATOM 1774 CA SER A 112 3.497 -7.394 -9.535 1.00 0.00 C ATOM 1775 C SER A 112 2.497 -7.173 -10.663 1.00 0.00 C ATOM 1776 O SER A 112 1.618 -8.006 -10.896 1.00 0.00 O ATOM 1777 CB SER A 112 4.160 -8.764 -9.685 1.00 0.00 C ATOM 1778 OG SER A 112 4.895 -9.113 -8.523 1.00 0.00 O ATOM 0 H SER A 112 1.979 -7.883 -8.189 1.00 0.00 H new ATOM 0 HA SER A 112 4.275 -6.631 -9.579 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.398 -9.520 -9.876 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.825 -8.756 -10.549 1.00 0.00 H new ATOM 0 HG SER A 112 5.306 -9.994 -8.648 1.00 0.00 H new ATOM 1784 N PHE A 113 2.615 -6.042 -11.335 1.00 0.00 N ATOM 1785 CA PHE A 113 1.687 -5.687 -12.397 1.00 0.00 C ATOM 1786 C PHE A 113 2.234 -6.130 -13.746 1.00 0.00 C ATOM 1787 O PHE A 113 3.298 -5.676 -14.172 1.00 0.00 O ATOM 1788 CB PHE A 113 1.446 -4.173 -12.419 1.00 0.00 C ATOM 1789 CG PHE A 113 0.791 -3.608 -11.182 1.00 0.00 C ATOM 1790 CD1 PHE A 113 1.377 -3.749 -9.931 1.00 0.00 C ATOM 1791 CD2 PHE A 113 -0.401 -2.910 -11.278 1.00 0.00 C ATOM 1792 CE1 PHE A 113 0.787 -3.206 -8.806 1.00 0.00 C ATOM 1793 CE2 PHE A 113 -0.997 -2.368 -10.154 1.00 0.00 C ATOM 1794 CZ PHE A 113 -0.403 -2.517 -8.916 1.00 0.00 C ATOM 0 H PHE A 113 3.346 -5.351 -11.165 1.00 0.00 H new ATOM 0 HA PHE A 113 0.742 -6.195 -12.205 1.00 0.00 H new ATOM 0 HB2 PHE A 113 2.402 -3.671 -12.566 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.825 -3.933 -13.282 1.00 0.00 H new ATOM 0 HD1 PHE A 113 2.307 -4.291 -9.836 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -0.871 -2.787 -12.243 1.00 0.00 H new ATOM 0 HE1 PHE A 113 1.257 -3.321 -7.841 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.928 -1.828 -10.244 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.869 -2.096 -8.037 1.00 0.00 H new