USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=27 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= 0.242 K(o=0.47,f=-0.47) USER MOD Set 1.2: A 94 THR OG1 : rot -20:sc= 0.225 USER MOD Set 1.3: A 112 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 45 THR OG1 : rot -15:sc= 1.32 USER MOD Set 2.2: A 47 TYR OH : rot 78:sc= 0.447 USER MOD Set 3.1: A 35 GLN : amide:sc= 0.772 K(o=1.3,f=0.56) USER MOD Set 3.2: A 80 THR OG1 : rot -150:sc= 0.501 USER MOD Set 4.1: A 14 SER OG : rot 98:sc= 0.00752 USER MOD Set 4.2: A 37 HIS : no HD1:sc= -0.665 K(o=-0.66,f=-5.5!) USER MOD Single : A 17 THR OG1 : rot 37:sc= 0.262 USER MOD Single : A 18 MET CE :methyl -158:sc= -0.218 (180deg=-0.862) USER MOD Single : A 22 LYS NZ :NH3+ 164:sc= 1.16 (180deg=0.856) USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= -0.0616 (180deg=-0.429) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -127:sc= -0.738 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 32:sc= 1.42 USER MOD Single : A 53 GLN : amide:sc= -1.74! C(o=-1.7!,f=-3.1!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -143:sc= -0.378 (180deg=-2.15!) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 71 ASN : amide:sc= -0.0244 X(o=-0.024,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 36:sc= 1.27 USER MOD Single : A 85 TYR OH : rot 16:sc= 0.0691 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -43:sc= -0.765 USER MOD Single : A 89 SER OG : rot -71:sc= -0.947 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 93 GLN : amide:sc= -2.57 K(o=-2.6,f=-7.9!) USER MOD Single : A 98 TYR OH : rot 50:sc= 1.28 USER MOD Single : A 100 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.012) USER MOD Single : A 102 SER OG : rot 168:sc= 0.764 USER MOD Single : A 105 GLN : amide:sc= -0.0706 X(o=-0.071,f=-0.15) USER MOD Single : A 107 GLN : amide:sc= -0.336 K(o=-0.34,f=-4.1!) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot -30:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 185 N PHE A 13 -5.441 -10.706 11.284 1.00 0.00 N ATOM 186 CA PHE A 13 -6.291 -9.750 10.598 1.00 0.00 C ATOM 187 C PHE A 13 -6.247 -9.990 9.094 1.00 0.00 C ATOM 188 O PHE A 13 -5.187 -10.256 8.521 1.00 0.00 O ATOM 189 CB PHE A 13 -5.876 -8.311 10.940 1.00 0.00 C ATOM 190 CG PHE A 13 -4.399 -8.043 10.819 1.00 0.00 C ATOM 191 CD1 PHE A 13 -3.848 -7.627 9.618 1.00 0.00 C ATOM 192 CD2 PHE A 13 -3.564 -8.205 11.913 1.00 0.00 C ATOM 193 CE1 PHE A 13 -2.494 -7.379 9.510 1.00 0.00 C ATOM 194 CE2 PHE A 13 -2.209 -7.958 11.810 1.00 0.00 C ATOM 195 CZ PHE A 13 -1.673 -7.545 10.608 1.00 0.00 C ATOM 0 HA PHE A 13 -7.318 -9.890 10.937 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.412 -7.626 10.283 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.191 -8.088 11.959 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.485 -7.495 8.756 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.977 -8.528 12.857 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.077 -7.055 8.568 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.569 -8.088 12.670 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.614 -7.352 10.526 1.00 0.00 H new ATOM 205 N SER A 14 -7.404 -9.908 8.462 1.00 0.00 N ATOM 206 CA SER A 14 -7.504 -10.135 7.033 1.00 0.00 C ATOM 207 C SER A 14 -7.449 -8.811 6.287 1.00 0.00 C ATOM 208 O SER A 14 -8.255 -7.915 6.529 1.00 0.00 O ATOM 209 CB SER A 14 -8.793 -10.896 6.700 1.00 0.00 C ATOM 210 OG SER A 14 -9.905 -10.349 7.392 1.00 0.00 O ATOM 0 H SER A 14 -8.289 -9.685 8.918 1.00 0.00 H new ATOM 0 HA SER A 14 -6.659 -10.745 6.714 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.975 -10.857 5.626 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.677 -11.947 6.965 1.00 0.00 H new ATOM 0 HG SER A 14 -10.394 -9.743 6.798 1.00 0.00 H new ATOM 216 N ILE A 15 -6.474 -8.677 5.404 1.00 0.00 N ATOM 217 CA ILE A 15 -6.325 -7.462 4.627 1.00 0.00 C ATOM 218 C ILE A 15 -6.878 -7.658 3.225 1.00 0.00 C ATOM 219 O ILE A 15 -6.325 -8.409 2.420 1.00 0.00 O ATOM 220 CB ILE A 15 -4.853 -7.010 4.567 1.00 0.00 C ATOM 221 CG1 ILE A 15 -4.367 -6.690 5.980 1.00 0.00 C ATOM 222 CG2 ILE A 15 -4.693 -5.801 3.654 1.00 0.00 C ATOM 223 CD1 ILE A 15 -2.945 -6.189 6.040 1.00 0.00 C ATOM 0 H ILE A 15 -5.776 -9.394 5.209 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.895 -6.676 5.123 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.248 -7.817 4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.025 -5.940 6.418 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.452 -7.586 6.594 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.645 -5.501 3.628 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.021 -6.059 2.647 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.297 -4.977 4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.675 -5.984 7.076 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.275 -6.946 5.633 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.857 -5.274 5.454 1.00 0.00 H new ATOM 235 N GLU A 16 -7.983 -6.992 2.955 1.00 0.00 N ATOM 236 CA GLU A 16 -8.651 -7.108 1.677 1.00 0.00 C ATOM 237 C GLU A 16 -8.252 -5.949 0.775 1.00 0.00 C ATOM 238 O GLU A 16 -8.607 -4.798 1.033 1.00 0.00 O ATOM 239 CB GLU A 16 -10.163 -7.115 1.879 1.00 0.00 C ATOM 240 CG GLU A 16 -10.942 -7.558 0.658 1.00 0.00 C ATOM 241 CD GLU A 16 -12.434 -7.394 0.833 1.00 0.00 C ATOM 242 OE1 GLU A 16 -12.995 -7.979 1.783 1.00 0.00 O ATOM 243 OE2 GLU A 16 -13.048 -6.672 0.024 1.00 0.00 O ATOM 0 H GLU A 16 -8.440 -6.359 3.612 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.352 -8.044 1.204 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.406 -7.775 2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.487 -6.113 2.161 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.615 -6.981 -0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.717 -8.603 0.447 1.00 0.00 H new ATOM 250 N THR A 17 -7.496 -6.253 -0.263 1.00 0.00 N ATOM 251 CA THR A 17 -7.078 -5.249 -1.220 1.00 0.00 C ATOM 252 C THR A 17 -7.739 -5.503 -2.566 1.00 0.00 C ATOM 253 O THR A 17 -7.651 -6.610 -3.108 1.00 0.00 O ATOM 254 CB THR A 17 -5.547 -5.256 -1.399 1.00 0.00 C ATOM 255 OG1 THR A 17 -5.104 -6.580 -1.722 1.00 0.00 O ATOM 256 CG2 THR A 17 -4.845 -4.776 -0.138 1.00 0.00 C ATOM 0 H THR A 17 -7.158 -7.194 -0.465 1.00 0.00 H new ATOM 0 HA THR A 17 -7.382 -4.275 -0.836 1.00 0.00 H new ATOM 0 HB THR A 17 -5.296 -4.574 -2.212 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.766 -7.014 -2.300 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.766 -4.792 -0.294 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.164 -3.759 0.091 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.101 -5.433 0.693 1.00 0.00 H new ATOM 264 N MET A 18 -8.415 -4.496 -3.095 1.00 0.00 N ATOM 265 CA MET A 18 -9.023 -4.609 -4.412 1.00 0.00 C ATOM 266 C MET A 18 -7.938 -4.784 -5.474 1.00 0.00 C ATOM 267 O MET A 18 -6.863 -4.191 -5.369 1.00 0.00 O ATOM 268 CB MET A 18 -9.889 -3.383 -4.726 1.00 0.00 C ATOM 269 CG MET A 18 -9.129 -2.065 -4.702 1.00 0.00 C ATOM 270 SD MET A 18 -10.147 -0.664 -5.203 1.00 0.00 S ATOM 271 CE MET A 18 -10.553 -1.120 -6.887 1.00 0.00 C ATOM 0 H MET A 18 -8.556 -3.596 -2.636 1.00 0.00 H new ATOM 0 HA MET A 18 -9.670 -5.486 -4.418 1.00 0.00 H new ATOM 0 HB2 MET A 18 -10.340 -3.512 -5.710 1.00 0.00 H new ATOM 0 HB3 MET A 18 -10.705 -3.333 -4.005 1.00 0.00 H new ATOM 0 HG2 MET A 18 -8.746 -1.889 -3.697 1.00 0.00 H new ATOM 0 HG3 MET A 18 -8.266 -2.136 -5.364 1.00 0.00 H new ATOM 0 HE1 MET A 18 -10.827 -0.228 -7.450 1.00 0.00 H new ATOM 0 HE2 MET A 18 -9.689 -1.592 -7.354 1.00 0.00 H new ATOM 0 HE3 MET A 18 -11.390 -1.818 -6.883 1.00 0.00 H new ATOM 281 N PRO A 19 -8.198 -5.630 -6.486 1.00 0.00 N ATOM 282 CA PRO A 19 -7.246 -5.894 -7.569 1.00 0.00 C ATOM 283 C PRO A 19 -6.766 -4.613 -8.246 1.00 0.00 C ATOM 284 O PRO A 19 -7.566 -3.745 -8.605 1.00 0.00 O ATOM 285 CB PRO A 19 -8.033 -6.767 -8.558 1.00 0.00 C ATOM 286 CG PRO A 19 -9.458 -6.686 -8.124 1.00 0.00 C ATOM 287 CD PRO A 19 -9.432 -6.408 -6.649 1.00 0.00 C ATOM 0 HA PRO A 19 -6.342 -6.375 -7.197 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.914 -6.406 -9.579 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.676 -7.797 -8.540 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.984 -5.896 -8.660 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.983 -7.618 -8.335 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.309 -5.847 -6.328 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.410 -7.328 -6.064 1.00 0.00 H new ATOM 295 N VAL A 20 -5.459 -4.507 -8.413 1.00 0.00 N ATOM 296 CA VAL A 20 -4.849 -3.307 -8.962 1.00 0.00 C ATOM 297 C VAL A 20 -4.829 -3.348 -10.489 1.00 0.00 C ATOM 298 O VAL A 20 -4.976 -4.417 -11.091 1.00 0.00 O ATOM 299 CB VAL A 20 -3.409 -3.128 -8.431 1.00 0.00 C ATOM 300 CG1 VAL A 20 -3.412 -2.990 -6.915 1.00 0.00 C ATOM 301 CG2 VAL A 20 -2.521 -4.288 -8.858 1.00 0.00 C ATOM 0 H VAL A 20 -4.795 -5.243 -8.174 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.454 -2.459 -8.642 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.002 -2.214 -8.863 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.389 -2.865 -6.559 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.004 -2.121 -6.630 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.844 -3.886 -6.469 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.513 -4.137 -8.471 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.925 -5.220 -8.463 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.488 -4.339 -9.946 1.00 0.00 H new ATOM 311 N PRO A 21 -4.678 -2.176 -11.134 1.00 0.00 N ATOM 312 CA PRO A 21 -4.520 -2.085 -12.588 1.00 0.00 C ATOM 313 C PRO A 21 -3.344 -2.920 -13.083 1.00 0.00 C ATOM 314 O PRO A 21 -2.332 -3.057 -12.393 1.00 0.00 O ATOM 315 CB PRO A 21 -4.257 -0.597 -12.831 1.00 0.00 C ATOM 316 CG PRO A 21 -4.853 0.091 -11.653 1.00 0.00 C ATOM 317 CD PRO A 21 -4.668 -0.847 -10.496 1.00 0.00 C ATOM 0 HA PRO A 21 -5.393 -2.464 -13.120 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.189 -0.392 -12.911 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.717 -0.260 -13.760 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.360 1.045 -11.466 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.909 0.305 -11.818 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.731 -0.659 -9.971 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.469 -0.746 -9.764 1.00 0.00 H new ATOM 325 N LYS A 22 -3.478 -3.464 -14.280 1.00 0.00 N ATOM 326 CA LYS A 22 -2.476 -4.369 -14.821 1.00 0.00 C ATOM 327 C LYS A 22 -1.406 -3.582 -15.566 1.00 0.00 C ATOM 328 O LYS A 22 -0.251 -4.000 -15.644 1.00 0.00 O ATOM 329 CB LYS A 22 -3.124 -5.413 -15.744 1.00 0.00 C ATOM 330 CG LYS A 22 -4.159 -6.301 -15.052 1.00 0.00 C ATOM 331 CD LYS A 22 -5.487 -5.580 -14.860 1.00 0.00 C ATOM 332 CE LYS A 22 -6.462 -6.385 -14.016 1.00 0.00 C ATOM 333 NZ LYS A 22 -6.017 -6.515 -12.601 1.00 0.00 N ATOM 0 H LYS A 22 -4.272 -3.295 -14.898 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.005 -4.899 -13.993 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.602 -4.899 -16.578 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.342 -6.045 -16.165 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.317 -7.203 -15.643 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.775 -6.619 -14.083 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.309 -4.615 -14.385 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.933 -5.378 -15.834 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.442 -5.908 -14.043 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.579 -7.378 -14.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.817 -6.825 -12.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.251 -7.216 -12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.672 -5.595 -12.260 1.00 0.00 H new ATOM 347 N LYS A 23 -1.801 -2.436 -16.103 1.00 0.00 N ATOM 348 CA LYS A 23 -0.873 -1.538 -16.779 1.00 0.00 C ATOM 349 C LYS A 23 -0.993 -0.131 -16.213 1.00 0.00 C ATOM 350 O LYS A 23 -2.099 0.361 -15.997 1.00 0.00 O ATOM 351 CB LYS A 23 -1.139 -1.511 -18.287 1.00 0.00 C ATOM 352 CG LYS A 23 -0.774 -2.801 -19.006 1.00 0.00 C ATOM 353 CD LYS A 23 0.663 -3.199 -18.727 1.00 0.00 C ATOM 354 CE LYS A 23 1.200 -4.147 -19.783 1.00 0.00 C ATOM 355 NZ LYS A 23 1.337 -3.475 -21.104 1.00 0.00 N ATOM 0 H LYS A 23 -2.765 -2.104 -16.083 1.00 0.00 H new ATOM 0 HA LYS A 23 0.138 -1.909 -16.610 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.195 -1.301 -18.455 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.576 -0.689 -18.730 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.443 -3.600 -18.687 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.917 -2.675 -20.079 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.287 -2.306 -18.689 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.725 -3.673 -17.747 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.170 -4.532 -19.468 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.532 -5.003 -19.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.037 -3.983 -21.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.419 -3.478 -21.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.651 -2.493 -20.963 1.00 0.00 H new ATOM 369 N LEU A 24 0.145 0.511 -15.978 1.00 0.00 N ATOM 370 CA LEU A 24 0.170 1.867 -15.440 1.00 0.00 C ATOM 371 C LEU A 24 1.333 2.652 -16.029 1.00 0.00 C ATOM 372 O LEU A 24 2.497 2.319 -15.802 1.00 0.00 O ATOM 373 CB LEU A 24 0.278 1.843 -13.911 1.00 0.00 C ATOM 374 CG LEU A 24 -0.997 1.443 -13.169 1.00 0.00 C ATOM 375 CD1 LEU A 24 -0.735 1.352 -11.677 1.00 0.00 C ATOM 376 CD2 LEU A 24 -2.111 2.441 -13.446 1.00 0.00 C ATOM 0 H LEU A 24 1.068 0.112 -16.152 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.764 2.357 -15.716 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.073 1.152 -13.631 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.581 2.833 -13.570 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.310 0.463 -13.529 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.653 1.066 -11.163 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.035 0.604 -11.488 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.399 2.320 -11.307 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.011 2.140 -12.910 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.803 3.432 -13.111 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.318 2.467 -14.516 1.00 0.00 H new ATOM 388 N LYS A 25 1.008 3.684 -16.788 1.00 0.00 N ATOM 389 CA LYS A 25 2.012 4.524 -17.421 1.00 0.00 C ATOM 390 C LYS A 25 2.256 5.779 -16.590 1.00 0.00 C ATOM 391 O LYS A 25 1.526 6.052 -15.634 1.00 0.00 O ATOM 392 CB LYS A 25 1.570 4.903 -18.837 1.00 0.00 C ATOM 393 CG LYS A 25 1.376 3.701 -19.752 1.00 0.00 C ATOM 394 CD LYS A 25 0.906 4.108 -21.140 1.00 0.00 C ATOM 395 CE LYS A 25 1.931 4.974 -21.857 1.00 0.00 C ATOM 396 NZ LYS A 25 1.563 5.205 -23.279 1.00 0.00 N ATOM 0 H LYS A 25 0.046 3.963 -16.983 1.00 0.00 H new ATOM 0 HA LYS A 25 2.944 3.963 -17.484 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.636 5.462 -18.781 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.314 5.568 -19.276 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.315 3.153 -19.834 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.648 3.022 -19.308 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.708 3.215 -21.732 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.035 4.652 -21.059 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.019 5.932 -21.344 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.909 4.495 -21.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.286 5.799 -23.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.504 4.293 -23.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.642 5.685 -23.326 1.00 0.00 H new ATOM 410 N VAL A 26 3.277 6.544 -16.964 1.00 0.00 N ATOM 411 CA VAL A 26 3.649 7.746 -16.224 1.00 0.00 C ATOM 412 C VAL A 26 2.523 8.775 -16.248 1.00 0.00 C ATOM 413 O VAL A 26 2.079 9.202 -17.315 1.00 0.00 O ATOM 414 CB VAL A 26 4.933 8.395 -16.788 1.00 0.00 C ATOM 415 CG1 VAL A 26 5.364 9.565 -15.915 1.00 0.00 C ATOM 416 CG2 VAL A 26 6.053 7.372 -16.899 1.00 0.00 C ATOM 0 H VAL A 26 3.863 6.353 -17.777 1.00 0.00 H new ATOM 0 HA VAL A 26 3.836 7.432 -15.197 1.00 0.00 H new ATOM 0 HB VAL A 26 4.715 8.769 -17.788 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.270 10.011 -16.326 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.571 10.312 -15.890 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.561 9.211 -14.903 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.946 7.852 -17.298 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.271 6.963 -15.913 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.745 6.567 -17.566 1.00 0.00 H new ATOM 426 N GLY A 27 2.064 9.158 -15.066 1.00 0.00 N ATOM 427 CA GLY A 27 1.027 10.161 -14.966 1.00 0.00 C ATOM 428 C GLY A 27 -0.263 9.604 -14.400 1.00 0.00 C ATOM 429 O GLY A 27 -1.128 10.359 -13.956 1.00 0.00 O ATOM 0 H GLY A 27 2.393 8.791 -14.173 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.375 10.978 -14.334 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.836 10.581 -15.953 1.00 0.00 H new ATOM 433 N GLU A 28 -0.399 8.284 -14.416 1.00 0.00 N ATOM 434 CA GLU A 28 -1.590 7.641 -13.875 1.00 0.00 C ATOM 435 C GLU A 28 -1.501 7.540 -12.359 1.00 0.00 C ATOM 436 O GLU A 28 -0.411 7.536 -11.790 1.00 0.00 O ATOM 437 CB GLU A 28 -1.778 6.248 -14.476 1.00 0.00 C ATOM 438 CG GLU A 28 -2.085 6.267 -15.962 1.00 0.00 C ATOM 439 CD GLU A 28 -2.440 4.899 -16.503 1.00 0.00 C ATOM 440 OE1 GLU A 28 -3.606 4.476 -16.342 1.00 0.00 O ATOM 441 OE2 GLU A 28 -1.563 4.239 -17.092 1.00 0.00 O ATOM 0 H GLU A 28 0.296 7.641 -14.795 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.451 8.255 -14.140 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.874 5.663 -14.307 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.588 5.741 -13.952 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.911 6.953 -16.149 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.221 6.654 -16.502 1.00 0.00 H new ATOM 448 N THR A 29 -2.650 7.479 -11.709 1.00 0.00 N ATOM 449 CA THR A 29 -2.700 7.312 -10.267 1.00 0.00 C ATOM 450 C THR A 29 -3.638 6.165 -9.905 1.00 0.00 C ATOM 451 O THR A 29 -4.833 6.212 -10.200 1.00 0.00 O ATOM 452 CB THR A 29 -3.169 8.607 -9.573 1.00 0.00 C ATOM 453 OG1 THR A 29 -2.361 9.709 -10.010 1.00 0.00 O ATOM 454 CG2 THR A 29 -3.080 8.479 -8.058 1.00 0.00 C ATOM 0 H THR A 29 -3.563 7.543 -12.158 1.00 0.00 H new ATOM 0 HA THR A 29 -1.693 7.081 -9.919 1.00 0.00 H new ATOM 0 HB THR A 29 -4.210 8.782 -9.843 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.662 10.531 -9.569 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.417 9.406 -7.594 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.712 7.656 -7.725 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.047 8.283 -7.769 1.00 0.00 H new ATOM 462 N ALA A 30 -3.087 5.136 -9.282 1.00 0.00 N ATOM 463 CA ALA A 30 -3.858 3.959 -8.922 1.00 0.00 C ATOM 464 C ALA A 30 -4.384 4.065 -7.497 1.00 0.00 C ATOM 465 O ALA A 30 -3.605 4.128 -6.544 1.00 0.00 O ATOM 466 CB ALA A 30 -3.008 2.708 -9.080 1.00 0.00 C ATOM 0 H ALA A 30 -2.104 5.093 -9.014 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.714 3.893 -9.594 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.596 1.832 -8.807 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.682 2.618 -10.116 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.136 2.776 -8.430 1.00 0.00 H new ATOM 472 N GLU A 31 -5.700 4.103 -7.360 1.00 0.00 N ATOM 473 CA GLU A 31 -6.321 4.144 -6.047 1.00 0.00 C ATOM 474 C GLU A 31 -6.567 2.728 -5.540 1.00 0.00 C ATOM 475 O GLU A 31 -7.533 2.068 -5.928 1.00 0.00 O ATOM 476 CB GLU A 31 -7.637 4.923 -6.093 1.00 0.00 C ATOM 477 CG GLU A 31 -8.286 5.102 -4.730 1.00 0.00 C ATOM 478 CD GLU A 31 -9.639 5.775 -4.808 1.00 0.00 C ATOM 479 OE1 GLU A 31 -9.688 7.024 -4.819 1.00 0.00 O ATOM 480 OE2 GLU A 31 -10.658 5.060 -4.844 1.00 0.00 O ATOM 0 H GLU A 31 -6.357 4.106 -8.140 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.644 4.655 -5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.454 5.904 -6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.333 4.405 -6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.397 4.127 -4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.627 5.693 -4.094 1.00 0.00 H new ATOM 487 N ILE A 32 -5.680 2.268 -4.677 1.00 0.00 N ATOM 488 CA ILE A 32 -5.762 0.925 -4.126 1.00 0.00 C ATOM 489 C ILE A 32 -6.504 0.952 -2.797 1.00 0.00 C ATOM 490 O ILE A 32 -5.949 1.351 -1.775 1.00 0.00 O ATOM 491 CB ILE A 32 -4.357 0.318 -3.906 1.00 0.00 C ATOM 492 CG1 ILE A 32 -3.528 0.418 -5.190 1.00 0.00 C ATOM 493 CG2 ILE A 32 -4.466 -1.134 -3.453 1.00 0.00 C ATOM 494 CD1 ILE A 32 -2.087 -0.024 -5.026 1.00 0.00 C ATOM 0 H ILE A 32 -4.885 2.811 -4.339 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.301 0.306 -4.844 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.854 0.885 -3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.999 -0.190 -5.963 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.544 1.450 -5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.467 -1.544 -3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.022 -1.182 -2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.986 -1.715 -4.215 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.565 0.076 -5.978 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.598 0.599 -4.277 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.060 -1.065 -4.705 1.00 0.00 H new ATOM 506 N ARG A 33 -7.764 0.556 -2.818 1.00 0.00 N ATOM 507 CA ARG A 33 -8.565 0.540 -1.607 1.00 0.00 C ATOM 508 C ARG A 33 -8.257 -0.706 -0.786 1.00 0.00 C ATOM 509 O ARG A 33 -8.476 -1.836 -1.235 1.00 0.00 O ATOM 510 CB ARG A 33 -10.048 0.620 -1.953 1.00 0.00 C ATOM 511 CG ARG A 33 -10.402 1.877 -2.731 1.00 0.00 C ATOM 512 CD ARG A 33 -11.866 1.905 -3.117 1.00 0.00 C ATOM 513 NE ARG A 33 -12.212 3.134 -3.829 1.00 0.00 N ATOM 514 CZ ARG A 33 -13.453 3.497 -4.131 1.00 0.00 C ATOM 515 NH1 ARG A 33 -14.474 2.707 -3.823 1.00 0.00 N ATOM 516 NH2 ARG A 33 -13.667 4.646 -4.761 1.00 0.00 N ATOM 0 H ARG A 33 -8.253 0.242 -3.656 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.312 1.412 -1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.328 -0.256 -2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.633 0.589 -1.034 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.168 2.755 -2.129 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.788 1.933 -3.630 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.094 1.044 -3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.481 1.818 -2.221 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.452 3.752 -4.112 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.307 1.818 -3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.426 2.989 -4.057 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.880 5.245 -5.011 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.618 4.930 -4.995 1.00 0.00 H new ATOM 530 N CYS A 34 -7.747 -0.482 0.413 1.00 0.00 N ATOM 531 CA CYS A 34 -7.285 -1.554 1.276 1.00 0.00 C ATOM 532 C CYS A 34 -8.098 -1.579 2.564 1.00 0.00 C ATOM 533 O CYS A 34 -8.267 -0.551 3.221 1.00 0.00 O ATOM 534 CB CYS A 34 -5.801 -1.350 1.584 1.00 0.00 C ATOM 535 SG CYS A 34 -5.077 -2.604 2.666 1.00 0.00 S ATOM 0 H CYS A 34 -7.642 0.449 0.815 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.417 -2.510 0.770 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.247 -1.336 0.645 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.671 -0.371 2.046 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.489 -2.024 3.670 1.00 0.00 H new ATOM 541 N GLN A 35 -8.609 -2.748 2.916 1.00 0.00 N ATOM 542 CA GLN A 35 -9.434 -2.888 4.103 1.00 0.00 C ATOM 543 C GLN A 35 -8.878 -3.952 5.040 1.00 0.00 C ATOM 544 O GLN A 35 -8.867 -5.141 4.718 1.00 0.00 O ATOM 545 CB GLN A 35 -10.871 -3.224 3.705 1.00 0.00 C ATOM 546 CG GLN A 35 -11.582 -2.069 3.021 1.00 0.00 C ATOM 547 CD GLN A 35 -12.997 -2.404 2.606 1.00 0.00 C ATOM 548 OE1 GLN A 35 -13.310 -3.541 2.245 1.00 0.00 O ATOM 549 NE2 GLN A 35 -13.865 -1.411 2.663 1.00 0.00 N ATOM 0 H GLN A 35 -8.466 -3.614 2.396 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.426 -1.938 4.637 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.865 -4.086 3.038 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.431 -3.513 4.595 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.601 -1.212 3.694 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.013 -1.770 2.141 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.562 -0.486 2.968 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.838 -1.569 2.402 1.00 0.00 H new ATOM 558 N LEU A 36 -8.419 -3.510 6.197 1.00 0.00 N ATOM 559 CA LEU A 36 -7.873 -4.401 7.203 1.00 0.00 C ATOM 560 C LEU A 36 -8.972 -4.798 8.180 1.00 0.00 C ATOM 561 O LEU A 36 -9.556 -3.943 8.844 1.00 0.00 O ATOM 562 CB LEU A 36 -6.709 -3.704 7.926 1.00 0.00 C ATOM 563 CG LEU A 36 -5.931 -4.550 8.947 1.00 0.00 C ATOM 564 CD1 LEU A 36 -4.521 -4.002 9.110 1.00 0.00 C ATOM 565 CD2 LEU A 36 -6.638 -4.565 10.301 1.00 0.00 C ATOM 0 H LEU A 36 -8.414 -2.526 6.465 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.490 -5.307 6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.006 -3.345 7.174 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.102 -2.827 8.439 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.883 -5.573 8.573 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.977 -4.607 9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.005 -4.034 8.150 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.570 -2.971 9.461 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.066 -5.171 11.004 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.718 -3.547 10.681 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.636 -4.988 10.186 1.00 0.00 H new ATOM 577 N HIS A 37 -9.259 -6.087 8.260 1.00 0.00 N ATOM 578 CA HIS A 37 -10.321 -6.573 9.131 1.00 0.00 C ATOM 579 C HIS A 37 -9.736 -7.181 10.397 1.00 0.00 C ATOM 580 O HIS A 37 -9.060 -8.207 10.338 1.00 0.00 O ATOM 581 CB HIS A 37 -11.173 -7.646 8.442 1.00 0.00 C ATOM 582 CG HIS A 37 -11.532 -7.361 7.018 1.00 0.00 C ATOM 583 ND1 HIS A 37 -11.259 -8.247 6.002 1.00 0.00 N ATOM 584 CD2 HIS A 37 -12.166 -6.314 6.443 1.00 0.00 C ATOM 585 CE1 HIS A 37 -11.711 -7.762 4.865 1.00 0.00 C ATOM 586 NE2 HIS A 37 -12.268 -6.587 5.100 1.00 0.00 N ATOM 0 H HIS A 37 -8.774 -6.815 7.735 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.947 -5.714 9.372 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.636 -8.594 8.481 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.093 -7.777 9.012 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.525 -5.428 6.946 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -11.639 -8.244 3.901 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -12.701 -5.983 4.401 1.00 0.00 H new ATOM 595 N ARG A 38 -9.979 -6.549 11.534 1.00 0.00 N ATOM 596 CA ARG A 38 -9.625 -7.153 12.810 1.00 0.00 C ATOM 597 C ARG A 38 -10.776 -8.026 13.293 1.00 0.00 C ATOM 598 O ARG A 38 -11.898 -7.551 13.471 1.00 0.00 O ATOM 599 CB ARG A 38 -9.229 -6.102 13.860 1.00 0.00 C ATOM 600 CG ARG A 38 -10.062 -4.831 13.847 1.00 0.00 C ATOM 601 CD ARG A 38 -9.564 -3.844 14.893 1.00 0.00 C ATOM 602 NE ARG A 38 -10.018 -2.478 14.632 1.00 0.00 N ATOM 603 CZ ARG A 38 -9.882 -1.460 15.488 1.00 0.00 C ATOM 604 NH1 ARG A 38 -9.372 -1.661 16.699 1.00 0.00 N ATOM 605 NH2 ARG A 38 -10.260 -0.239 15.121 1.00 0.00 N ATOM 0 H ARG A 38 -10.415 -5.629 11.601 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.744 -7.778 12.663 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.301 -6.555 14.849 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.184 -5.834 13.707 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.018 -4.373 12.859 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.107 -5.074 14.039 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.910 -4.157 15.878 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.474 -3.863 14.917 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.469 -2.290 13.737 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.081 -2.597 16.981 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.271 -0.879 17.346 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.651 -0.084 14.192 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.159 0.542 15.769 1.00 0.00 H new ATOM 712 N THR A 45 -3.941 -2.848 18.706 1.00 0.00 N ATOM 713 CA THR A 45 -3.079 -3.429 17.698 1.00 0.00 C ATOM 714 C THR A 45 -2.611 -2.343 16.736 1.00 0.00 C ATOM 715 O THR A 45 -3.370 -1.883 15.882 1.00 0.00 O ATOM 716 CB THR A 45 -3.805 -4.551 16.933 1.00 0.00 C ATOM 717 OG1 THR A 45 -5.206 -4.243 16.832 1.00 0.00 O ATOM 718 CG2 THR A 45 -3.622 -5.888 17.632 1.00 0.00 C ATOM 0 HA THR A 45 -2.212 -3.868 18.191 1.00 0.00 H new ATOM 0 HB THR A 45 -3.374 -4.622 15.934 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.429 -3.524 17.459 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.144 -6.665 17.073 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.560 -6.129 17.684 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.031 -5.830 18.641 1.00 0.00 H new ATOM 726 N LYS A 46 -1.367 -1.915 16.897 1.00 0.00 N ATOM 727 CA LYS A 46 -0.840 -0.799 16.126 1.00 0.00 C ATOM 728 C LYS A 46 -0.419 -1.263 14.741 1.00 0.00 C ATOM 729 O LYS A 46 0.460 -2.111 14.603 1.00 0.00 O ATOM 730 CB LYS A 46 0.354 -0.168 16.849 1.00 0.00 C ATOM 731 CG LYS A 46 0.060 0.249 18.283 1.00 0.00 C ATOM 732 CD LYS A 46 -1.084 1.246 18.364 1.00 0.00 C ATOM 733 CE LYS A 46 -1.275 1.747 19.788 1.00 0.00 C ATOM 734 NZ LYS A 46 -2.361 2.759 19.886 1.00 0.00 N ATOM 0 H LYS A 46 -0.704 -2.324 17.555 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.626 -0.051 16.023 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.181 -0.878 16.850 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.685 0.706 16.288 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.186 -0.633 18.874 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.955 0.688 18.723 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.883 2.089 17.703 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.004 0.778 18.014 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.506 0.905 20.440 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.342 2.182 20.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.456 3.072 20.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.130 3.575 19.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.258 2.338 19.569 1.00 0.00 H new ATOM 748 N TYR A 47 -1.054 -0.708 13.719 1.00 0.00 N ATOM 749 CA TYR A 47 -0.782 -1.107 12.348 1.00 0.00 C ATOM 750 C TYR A 47 0.184 -0.129 11.689 1.00 0.00 C ATOM 751 O TYR A 47 -0.090 1.069 11.599 1.00 0.00 O ATOM 752 CB TYR A 47 -2.084 -1.174 11.545 1.00 0.00 C ATOM 753 CG TYR A 47 -3.191 -1.928 12.245 1.00 0.00 C ATOM 754 CD1 TYR A 47 -3.094 -3.295 12.483 1.00 0.00 C ATOM 755 CD2 TYR A 47 -4.334 -1.266 12.677 1.00 0.00 C ATOM 756 CE1 TYR A 47 -4.106 -3.978 13.129 1.00 0.00 C ATOM 757 CE2 TYR A 47 -5.348 -1.941 13.325 1.00 0.00 C ATOM 758 CZ TYR A 47 -5.231 -3.295 13.548 1.00 0.00 C ATOM 759 OH TYR A 47 -6.243 -3.970 14.193 1.00 0.00 O ATOM 0 H TYR A 47 -1.762 0.020 13.815 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.324 -2.096 12.363 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.424 -0.160 11.335 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.884 -1.649 10.584 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.214 -3.830 12.158 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.430 -0.205 12.502 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.018 -5.040 13.305 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.229 -1.410 13.656 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.990 -4.123 15.127 1.00 0.00 H new ATOM 769 N PHE A 48 1.316 -0.646 11.244 1.00 0.00 N ATOM 770 CA PHE A 48 2.327 0.170 10.587 1.00 0.00 C ATOM 771 C PHE A 48 2.528 -0.292 9.154 1.00 0.00 C ATOM 772 O PHE A 48 2.607 -1.493 8.883 1.00 0.00 O ATOM 773 CB PHE A 48 3.655 0.105 11.343 1.00 0.00 C ATOM 774 CG PHE A 48 3.599 0.696 12.722 1.00 0.00 C ATOM 775 CD1 PHE A 48 3.674 2.067 12.904 1.00 0.00 C ATOM 776 CD2 PHE A 48 3.478 -0.121 13.835 1.00 0.00 C ATOM 777 CE1 PHE A 48 3.629 2.614 14.171 1.00 0.00 C ATOM 778 CE2 PHE A 48 3.433 0.422 15.106 1.00 0.00 C ATOM 779 CZ PHE A 48 3.508 1.791 15.273 1.00 0.00 C ATOM 0 H PHE A 48 1.561 -1.633 11.326 1.00 0.00 H new ATOM 0 HA PHE A 48 1.978 1.203 10.585 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.969 -0.936 11.417 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.417 0.628 10.765 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.769 2.715 12.045 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.418 -1.192 13.708 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.688 3.685 14.300 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.339 -0.223 15.967 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.472 2.217 16.265 1.00 0.00 H new ATOM 789 N ILE A 49 2.606 0.664 8.242 1.00 0.00 N ATOM 790 CA ILE A 49 2.764 0.358 6.830 1.00 0.00 C ATOM 791 C ILE A 49 4.120 0.835 6.308 1.00 0.00 C ATOM 792 O ILE A 49 4.627 1.884 6.716 1.00 0.00 O ATOM 793 CB ILE A 49 1.632 0.995 5.981 1.00 0.00 C ATOM 794 CG1 ILE A 49 1.766 0.588 4.506 1.00 0.00 C ATOM 795 CG2 ILE A 49 1.642 2.513 6.122 1.00 0.00 C ATOM 796 CD1 ILE A 49 0.691 1.166 3.606 1.00 0.00 C ATOM 0 H ILE A 49 2.562 1.660 8.456 1.00 0.00 H new ATOM 0 HA ILE A 49 2.708 -0.726 6.733 1.00 0.00 H new ATOM 0 HB ILE A 49 0.677 0.624 6.353 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.742 0.906 4.139 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.738 -0.499 4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.841 2.940 5.519 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.492 2.782 7.168 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.601 2.904 5.781 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.856 0.832 2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.288 0.827 3.945 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.731 2.255 3.644 1.00 0.00 H new ATOM 808 N ARG A 50 4.706 0.030 5.433 1.00 0.00 N ATOM 809 CA ARG A 50 5.907 0.404 4.694 1.00 0.00 C ATOM 810 C ARG A 50 5.948 -0.391 3.403 1.00 0.00 C ATOM 811 O ARG A 50 5.259 -1.398 3.280 1.00 0.00 O ATOM 812 CB ARG A 50 7.186 0.146 5.504 1.00 0.00 C ATOM 813 CG ARG A 50 7.400 -1.310 5.900 1.00 0.00 C ATOM 814 CD ARG A 50 8.785 -1.522 6.504 1.00 0.00 C ATOM 815 NE ARG A 50 8.954 -2.874 7.048 1.00 0.00 N ATOM 816 CZ ARG A 50 9.720 -3.817 6.497 1.00 0.00 C ATOM 817 NH1 ARG A 50 10.422 -3.556 5.401 1.00 0.00 N ATOM 818 NH2 ARG A 50 9.797 -5.017 7.059 1.00 0.00 N ATOM 0 H ARG A 50 4.362 -0.905 5.214 1.00 0.00 H new ATOM 0 HA ARG A 50 5.866 1.474 4.488 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.044 0.481 4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.158 0.755 6.408 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.638 -1.609 6.619 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.281 -1.949 5.025 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.543 -1.342 5.742 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.950 -0.791 7.296 1.00 0.00 H new ATOM 0 HE ARG A 50 8.452 -3.109 7.905 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.378 -2.630 4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.006 -4.281 4.985 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.271 -5.216 7.910 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.382 -5.740 6.640 1.00 0.00 H new ATOM 832 N TYR A 51 6.732 0.055 2.439 1.00 0.00 N ATOM 833 CA TYR A 51 6.886 -0.683 1.196 1.00 0.00 C ATOM 834 C TYR A 51 8.295 -0.520 0.661 1.00 0.00 C ATOM 835 O TYR A 51 9.023 0.372 1.090 1.00 0.00 O ATOM 836 CB TYR A 51 5.857 -0.226 0.150 1.00 0.00 C ATOM 837 CG TYR A 51 6.021 1.202 -0.331 1.00 0.00 C ATOM 838 CD1 TYR A 51 5.462 2.264 0.368 1.00 0.00 C ATOM 839 CD2 TYR A 51 6.718 1.484 -1.500 1.00 0.00 C ATOM 840 CE1 TYR A 51 5.594 3.564 -0.082 1.00 0.00 C ATOM 841 CE2 TYR A 51 6.858 2.783 -1.954 1.00 0.00 C ATOM 842 CZ TYR A 51 6.293 3.819 -1.243 1.00 0.00 C ATOM 843 OH TYR A 51 6.420 5.116 -1.697 1.00 0.00 O ATOM 0 H TYR A 51 7.270 0.920 2.491 1.00 0.00 H new ATOM 0 HA TYR A 51 6.708 -1.738 1.402 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.916 -0.892 -0.711 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.858 -0.339 0.572 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.915 2.071 1.279 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.158 0.675 -2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.151 4.377 0.474 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.408 2.984 -2.862 1.00 0.00 H new ATOM 0 HH TYR A 51 6.450 5.729 -0.933 1.00 0.00 H new ATOM 853 N PHE A 52 8.679 -1.389 -0.253 1.00 0.00 N ATOM 854 CA PHE A 52 9.989 -1.310 -0.870 1.00 0.00 C ATOM 855 C PHE A 52 9.906 -1.748 -2.325 1.00 0.00 C ATOM 856 O PHE A 52 9.342 -2.797 -2.635 1.00 0.00 O ATOM 857 CB PHE A 52 10.989 -2.186 -0.107 1.00 0.00 C ATOM 858 CG PHE A 52 12.401 -2.064 -0.608 1.00 0.00 C ATOM 859 CD1 PHE A 52 13.192 -0.992 -0.229 1.00 0.00 C ATOM 860 CD2 PHE A 52 12.937 -3.020 -1.459 1.00 0.00 C ATOM 861 CE1 PHE A 52 14.489 -0.874 -0.687 1.00 0.00 C ATOM 862 CE2 PHE A 52 14.234 -2.907 -1.922 1.00 0.00 C ATOM 863 CZ PHE A 52 15.010 -1.832 -1.534 1.00 0.00 C ATOM 0 H PHE A 52 8.101 -2.160 -0.586 1.00 0.00 H new ATOM 0 HA PHE A 52 10.334 -0.277 -0.833 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.963 -1.917 0.949 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.676 -3.227 -0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 52 12.789 -0.239 0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 52 12.333 -3.862 -1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 52 15.095 -0.033 -0.383 1.00 0.00 H new ATOM 0 HE2 PHE A 52 14.640 -3.657 -2.585 1.00 0.00 H new ATOM 0 HZ PHE A 52 16.024 -1.741 -1.893 1.00 0.00 H new ATOM 873 N GLN A 53 10.447 -0.928 -3.212 1.00 0.00 N ATOM 874 CA GLN A 53 10.477 -1.251 -4.629 1.00 0.00 C ATOM 875 C GLN A 53 11.912 -1.549 -5.076 1.00 0.00 C ATOM 876 O GLN A 53 12.732 -0.644 -5.242 1.00 0.00 O ATOM 877 CB GLN A 53 9.839 -0.124 -5.479 1.00 0.00 C ATOM 878 CG GLN A 53 10.579 1.215 -5.470 1.00 0.00 C ATOM 879 CD GLN A 53 10.574 1.912 -4.122 1.00 0.00 C ATOM 880 OE1 GLN A 53 9.632 1.790 -3.342 1.00 0.00 O ATOM 881 NE2 GLN A 53 11.643 2.634 -3.830 1.00 0.00 N ATOM 0 H GLN A 53 10.872 -0.032 -2.975 1.00 0.00 H new ATOM 0 HA GLN A 53 9.878 -2.148 -4.789 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.764 -0.470 -6.510 1.00 0.00 H new ATOM 0 HB3 GLN A 53 8.822 0.042 -5.124 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.611 1.050 -5.779 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.126 1.874 -6.210 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.405 2.712 -4.503 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.705 3.113 -2.932 1.00 0.00 H new ATOM 890 N PRO A 54 12.250 -2.839 -5.219 1.00 0.00 N ATOM 891 CA PRO A 54 13.575 -3.254 -5.684 1.00 0.00 C ATOM 892 C PRO A 54 13.802 -2.899 -7.150 1.00 0.00 C ATOM 893 O PRO A 54 14.902 -2.509 -7.546 1.00 0.00 O ATOM 894 CB PRO A 54 13.570 -4.773 -5.487 1.00 0.00 C ATOM 895 CG PRO A 54 12.133 -5.165 -5.478 1.00 0.00 C ATOM 896 CD PRO A 54 11.379 -3.993 -4.915 1.00 0.00 C ATOM 0 HA PRO A 54 14.376 -2.752 -5.141 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.109 -5.275 -6.290 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.059 -5.050 -4.553 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.788 -5.402 -6.485 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.977 -6.056 -4.870 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.398 -3.888 -5.378 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.215 -4.100 -3.843 1.00 0.00 H new ATOM 904 N ASP A 55 12.746 -3.021 -7.945 1.00 0.00 N ATOM 905 CA ASP A 55 12.809 -2.734 -9.372 1.00 0.00 C ATOM 906 C ASP A 55 11.655 -1.833 -9.781 1.00 0.00 C ATOM 907 O ASP A 55 10.487 -2.186 -9.599 1.00 0.00 O ATOM 908 CB ASP A 55 12.770 -4.027 -10.195 1.00 0.00 C ATOM 909 CG ASP A 55 14.055 -4.827 -10.101 1.00 0.00 C ATOM 910 OD1 ASP A 55 14.223 -5.590 -9.126 1.00 0.00 O ATOM 911 OD2 ASP A 55 14.908 -4.697 -11.003 1.00 0.00 O ATOM 0 H ASP A 55 11.826 -3.320 -7.620 1.00 0.00 H new ATOM 0 HA ASP A 55 13.752 -2.224 -9.570 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.939 -4.644 -9.854 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.577 -3.781 -11.239 1.00 0.00 H new ATOM 916 N GLY A 56 11.983 -0.671 -10.324 1.00 0.00 N ATOM 917 CA GLY A 56 10.963 0.258 -10.763 1.00 0.00 C ATOM 918 C GLY A 56 10.932 1.514 -9.917 1.00 0.00 C ATOM 919 O GLY A 56 11.681 1.636 -8.943 1.00 0.00 O ATOM 0 H GLY A 56 12.941 -0.354 -10.469 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.143 0.527 -11.804 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.989 -0.229 -10.723 1.00 0.00 H new ATOM 923 N ALA A 57 10.073 2.449 -10.287 1.00 0.00 N ATOM 924 CA ALA A 57 9.930 3.692 -9.548 1.00 0.00 C ATOM 925 C ALA A 57 8.466 3.943 -9.201 1.00 0.00 C ATOM 926 O ALA A 57 7.629 3.049 -9.331 1.00 0.00 O ATOM 927 CB ALA A 57 10.504 4.846 -10.355 1.00 0.00 C ATOM 0 H ALA A 57 9.461 2.370 -11.099 1.00 0.00 H new ATOM 0 HA ALA A 57 10.487 3.614 -8.614 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.393 5.774 -9.793 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.561 4.664 -10.549 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.970 4.929 -11.302 1.00 0.00 H new ATOM 933 N GLY A 58 8.160 5.155 -8.760 1.00 0.00 N ATOM 934 CA GLY A 58 6.803 5.485 -8.379 1.00 0.00 C ATOM 935 C GLY A 58 6.730 6.072 -6.985 1.00 0.00 C ATOM 936 O GLY A 58 7.737 6.127 -6.276 1.00 0.00 O ATOM 0 H GLY A 58 8.830 5.917 -8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.389 6.196 -9.094 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.185 4.588 -8.427 1.00 0.00 H new ATOM 940 N THR A 59 5.552 6.528 -6.598 1.00 0.00 N ATOM 941 CA THR A 59 5.349 7.088 -5.271 1.00 0.00 C ATOM 942 C THR A 59 3.995 6.652 -4.715 1.00 0.00 C ATOM 943 O THR A 59 2.959 6.893 -5.333 1.00 0.00 O ATOM 944 CB THR A 59 5.425 8.629 -5.309 1.00 0.00 C ATOM 945 OG1 THR A 59 6.666 9.040 -5.897 1.00 0.00 O ATOM 946 CG2 THR A 59 5.303 9.221 -3.912 1.00 0.00 C ATOM 0 H THR A 59 4.718 6.522 -7.185 1.00 0.00 H new ATOM 0 HA THR A 59 6.141 6.716 -4.621 1.00 0.00 H new ATOM 0 HB THR A 59 4.593 8.994 -5.911 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.709 10.019 -5.920 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.360 10.308 -3.971 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.347 8.931 -3.476 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.115 8.849 -3.287 1.00 0.00 H new ATOM 954 N LEU A 60 4.008 5.998 -3.562 1.00 0.00 N ATOM 955 CA LEU A 60 2.778 5.512 -2.952 1.00 0.00 C ATOM 956 C LEU A 60 2.328 6.449 -1.833 1.00 0.00 C ATOM 957 O LEU A 60 3.048 6.664 -0.856 1.00 0.00 O ATOM 958 CB LEU A 60 2.982 4.093 -2.415 1.00 0.00 C ATOM 959 CG LEU A 60 1.732 3.414 -1.855 1.00 0.00 C ATOM 960 CD1 LEU A 60 0.649 3.330 -2.915 1.00 0.00 C ATOM 961 CD2 LEU A 60 2.075 2.028 -1.339 1.00 0.00 C ATOM 0 H LEU A 60 4.854 5.792 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 60 1.997 5.489 -3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.382 3.474 -3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.738 4.125 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 60 1.355 4.013 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.232 2.844 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.386 4.334 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.014 2.752 -3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.177 1.555 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.474 1.424 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.821 2.108 -0.549 1.00 0.00 H new ATOM 973 N LYS A 61 1.145 7.017 -1.994 1.00 0.00 N ATOM 974 CA LYS A 61 0.585 7.921 -1.005 1.00 0.00 C ATOM 975 C LYS A 61 -0.566 7.264 -0.258 1.00 0.00 C ATOM 976 O LYS A 61 -1.096 6.239 -0.683 1.00 0.00 O ATOM 977 CB LYS A 61 0.062 9.192 -1.671 1.00 0.00 C ATOM 978 CG LYS A 61 1.126 10.044 -2.340 1.00 0.00 C ATOM 979 CD LYS A 61 0.479 11.196 -3.091 1.00 0.00 C ATOM 980 CE LYS A 61 1.498 12.193 -3.615 1.00 0.00 C ATOM 981 NZ LYS A 61 0.840 13.290 -4.373 1.00 0.00 N ATOM 0 H LYS A 61 0.549 6.866 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 61 1.383 8.169 -0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.683 8.915 -2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.448 9.796 -0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.817 10.431 -1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.711 9.434 -3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.101 10.802 -3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.220 11.709 -2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.062 12.612 -2.782 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.213 11.681 -4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.561 13.955 -4.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.322 12.891 -5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.176 13.793 -3.750 1.00 0.00 H new ATOM 995 N MET A 62 -0.948 7.867 0.851 1.00 0.00 N ATOM 996 CA MET A 62 -2.124 7.447 1.589 1.00 0.00 C ATOM 997 C MET A 62 -3.277 8.400 1.269 1.00 0.00 C ATOM 998 O MET A 62 -3.046 9.500 0.768 1.00 0.00 O ATOM 999 CB MET A 62 -1.826 7.451 3.090 1.00 0.00 C ATOM 1000 CG MET A 62 -2.881 6.753 3.934 1.00 0.00 C ATOM 1001 SD MET A 62 -2.552 6.874 5.701 1.00 0.00 S ATOM 1002 CE MET A 62 -0.959 6.057 5.816 1.00 0.00 C ATOM 0 H MET A 62 -0.455 8.658 1.265 1.00 0.00 H new ATOM 0 HA MET A 62 -2.403 6.434 1.298 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.863 6.969 3.260 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.730 8.483 3.428 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.857 7.188 3.720 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.931 5.702 3.649 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.912 5.480 6.739 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.830 5.390 4.964 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.166 6.805 5.815 1.00 0.00 H new ATOM 1012 N SER A 63 -4.505 7.985 1.560 1.00 0.00 N ATOM 1013 CA SER A 63 -5.690 8.794 1.271 1.00 0.00 C ATOM 1014 C SER A 63 -5.673 10.129 2.017 1.00 0.00 C ATOM 1015 O SER A 63 -6.361 11.075 1.632 1.00 0.00 O ATOM 1016 CB SER A 63 -6.948 8.002 1.629 1.00 0.00 C ATOM 1017 OG SER A 63 -6.796 7.350 2.880 1.00 0.00 O ATOM 0 H SER A 63 -4.709 7.087 1.999 1.00 0.00 H new ATOM 0 HA SER A 63 -5.688 9.023 0.205 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.807 8.672 1.666 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.152 7.265 0.852 1.00 0.00 H new ATOM 0 HG SER A 63 -7.613 6.851 3.090 1.00 0.00 H new ATOM 1023 N ASP A 64 -4.882 10.204 3.079 1.00 0.00 N ATOM 1024 CA ASP A 64 -4.765 11.428 3.862 1.00 0.00 C ATOM 1025 C ASP A 64 -3.849 12.431 3.165 1.00 0.00 C ATOM 1026 O ASP A 64 -3.866 13.625 3.467 1.00 0.00 O ATOM 1027 CB ASP A 64 -4.227 11.102 5.258 1.00 0.00 C ATOM 1028 CG ASP A 64 -4.173 12.314 6.165 1.00 0.00 C ATOM 1029 OD1 ASP A 64 -5.241 12.752 6.639 1.00 0.00 O ATOM 1030 OD2 ASP A 64 -3.062 12.813 6.434 1.00 0.00 O ATOM 0 H ASP A 64 -4.311 9.430 3.419 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.754 11.877 3.955 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.857 10.339 5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.227 10.677 5.167 1.00 0.00 H new ATOM 1035 N GLY A 65 -3.070 11.942 2.210 1.00 0.00 N ATOM 1036 CA GLY A 65 -2.098 12.782 1.537 1.00 0.00 C ATOM 1037 C GLY A 65 -0.692 12.466 1.988 1.00 0.00 C ATOM 1038 O GLY A 65 0.279 13.007 1.459 1.00 0.00 O ATOM 0 H GLY A 65 -3.094 10.975 1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.177 12.640 0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.319 13.830 1.738 1.00 0.00 H new ATOM 1042 N THR A 66 -0.595 11.586 2.973 1.00 0.00 N ATOM 1043 CA THR A 66 0.682 11.155 3.513 1.00 0.00 C ATOM 1044 C THR A 66 1.492 10.398 2.464 1.00 0.00 C ATOM 1045 O THR A 66 1.038 9.383 1.936 1.00 0.00 O ATOM 1046 CB THR A 66 0.463 10.234 4.726 1.00 0.00 C ATOM 1047 OG1 THR A 66 -0.579 10.769 5.555 1.00 0.00 O ATOM 1048 CG2 THR A 66 1.739 10.085 5.542 1.00 0.00 C ATOM 0 H THR A 66 -1.402 11.151 3.420 1.00 0.00 H new ATOM 0 HA THR A 66 1.231 12.047 3.816 1.00 0.00 H new ATOM 0 HB THR A 66 0.176 9.249 4.359 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.718 10.180 6.326 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.553 9.429 6.392 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.522 9.656 4.917 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.057 11.063 5.902 1.00 0.00 H new ATOM 1056 N VAL A 67 2.676 10.900 2.154 1.00 0.00 N ATOM 1057 CA VAL A 67 3.579 10.211 1.251 1.00 0.00 C ATOM 1058 C VAL A 67 4.369 9.166 2.026 1.00 0.00 C ATOM 1059 O VAL A 67 5.085 9.492 2.975 1.00 0.00 O ATOM 1060 CB VAL A 67 4.551 11.187 0.551 1.00 0.00 C ATOM 1061 CG1 VAL A 67 5.501 10.434 -0.369 1.00 0.00 C ATOM 1062 CG2 VAL A 67 3.777 12.239 -0.227 1.00 0.00 C ATOM 0 H VAL A 67 3.033 11.784 2.516 1.00 0.00 H new ATOM 0 HA VAL A 67 2.979 9.732 0.477 1.00 0.00 H new ATOM 0 HB VAL A 67 5.144 11.688 1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.176 11.140 -0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.081 9.718 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.927 9.904 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.476 12.919 -0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.159 11.752 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.140 12.801 0.456 1.00 0.00 H new ATOM 1072 N LEU A 68 4.214 7.914 1.634 1.00 0.00 N ATOM 1073 CA LEU A 68 4.853 6.817 2.330 1.00 0.00 C ATOM 1074 C LEU A 68 6.236 6.558 1.753 1.00 0.00 C ATOM 1075 O LEU A 68 6.440 6.636 0.541 1.00 0.00 O ATOM 1076 CB LEU A 68 3.987 5.561 2.228 1.00 0.00 C ATOM 1077 CG LEU A 68 2.547 5.733 2.720 1.00 0.00 C ATOM 1078 CD1 LEU A 68 1.740 4.472 2.460 1.00 0.00 C ATOM 1079 CD2 LEU A 68 2.525 6.085 4.201 1.00 0.00 C ATOM 0 H LEU A 68 3.648 7.633 0.833 1.00 0.00 H new ATOM 0 HA LEU A 68 4.965 7.082 3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.964 5.236 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.459 4.763 2.801 1.00 0.00 H new ATOM 0 HG LEU A 68 2.091 6.553 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.720 4.613 2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.725 4.264 1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.195 3.633 2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.493 6.203 4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.000 5.287 4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.066 7.017 4.361 1.00 0.00 H new ATOM 1091 N LEU A 69 7.185 6.262 2.620 1.00 0.00 N ATOM 1092 CA LEU A 69 8.553 6.035 2.197 1.00 0.00 C ATOM 1093 C LEU A 69 8.994 4.622 2.556 1.00 0.00 C ATOM 1094 O LEU A 69 8.466 4.020 3.491 1.00 0.00 O ATOM 1095 CB LEU A 69 9.484 7.063 2.846 1.00 0.00 C ATOM 1096 CG LEU A 69 9.222 8.518 2.449 1.00 0.00 C ATOM 1097 CD1 LEU A 69 10.189 9.444 3.162 1.00 0.00 C ATOM 1098 CD2 LEU A 69 9.338 8.693 0.941 1.00 0.00 C ATOM 0 H LEU A 69 7.033 6.173 3.625 1.00 0.00 H new ATOM 0 HA LEU A 69 8.605 6.149 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.396 6.977 3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.513 6.812 2.588 1.00 0.00 H new ATOM 0 HG LEU A 69 8.206 8.776 2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.989 10.475 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.062 9.342 4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.211 9.181 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.148 9.734 0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.341 8.415 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.607 8.055 0.443 1.00 0.00 H new ATOM 1110 N PRO A 70 9.949 4.065 1.796 1.00 0.00 N ATOM 1111 CA PRO A 70 10.500 2.734 2.061 1.00 0.00 C ATOM 1112 C PRO A 70 11.254 2.673 3.385 1.00 0.00 C ATOM 1113 O PRO A 70 11.694 3.700 3.906 1.00 0.00 O ATOM 1114 CB PRO A 70 11.463 2.489 0.889 1.00 0.00 C ATOM 1115 CG PRO A 70 11.083 3.492 -0.146 1.00 0.00 C ATOM 1116 CD PRO A 70 10.557 4.678 0.606 1.00 0.00 C ATOM 0 HA PRO A 70 9.713 1.984 2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.500 2.616 1.199 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.367 1.473 0.506 1.00 0.00 H new ATOM 0 HG2 PRO A 70 11.942 3.767 -0.758 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.327 3.090 -0.821 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.353 5.374 0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.827 5.237 0.021 1.00 0.00 H new ATOM 1124 N ASN A 71 11.389 1.455 3.915 1.00 0.00 N ATOM 1125 CA ASN A 71 12.134 1.187 5.155 1.00 0.00 C ATOM 1126 C ASN A 71 11.358 1.619 6.400 1.00 0.00 C ATOM 1127 O ASN A 71 11.029 0.789 7.250 1.00 0.00 O ATOM 1128 CB ASN A 71 13.521 1.852 5.148 1.00 0.00 C ATOM 1129 CG ASN A 71 14.471 1.231 4.139 1.00 0.00 C ATOM 1130 OD1 ASN A 71 15.158 0.253 4.434 1.00 0.00 O ATOM 1131 ND2 ASN A 71 14.534 1.807 2.948 1.00 0.00 N ATOM 0 H ASN A 71 10.983 0.619 3.495 1.00 0.00 H new ATOM 0 HA ASN A 71 12.269 0.106 5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.408 2.913 4.927 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.958 1.778 6.144 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.168 1.441 2.238 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.948 2.616 2.741 1.00 0.00 H new ATOM 1138 N ASP A 72 11.055 2.908 6.503 1.00 0.00 N ATOM 1139 CA ASP A 72 10.445 3.456 7.713 1.00 0.00 C ATOM 1140 C ASP A 72 8.964 3.087 7.808 1.00 0.00 C ATOM 1141 O ASP A 72 8.345 2.702 6.817 1.00 0.00 O ATOM 1142 CB ASP A 72 10.617 4.976 7.763 1.00 0.00 C ATOM 1143 CG ASP A 72 10.367 5.542 9.148 1.00 0.00 C ATOM 1144 OD1 ASP A 72 10.562 4.802 10.139 1.00 0.00 O ATOM 1145 OD2 ASP A 72 9.995 6.727 9.258 1.00 0.00 O ATOM 0 H ASP A 72 11.221 3.593 5.766 1.00 0.00 H new ATOM 0 HA ASP A 72 10.957 3.016 8.569 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.627 5.235 7.445 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.931 5.440 7.055 1.00 0.00 H new ATOM 1150 N LEU A 73 8.404 3.212 9.005 1.00 0.00 N ATOM 1151 CA LEU A 73 7.023 2.816 9.256 1.00 0.00 C ATOM 1152 C LEU A 73 6.136 4.020 9.530 1.00 0.00 C ATOM 1153 O LEU A 73 6.530 4.950 10.236 1.00 0.00 O ATOM 1154 CB LEU A 73 6.946 1.867 10.452 1.00 0.00 C ATOM 1155 CG LEU A 73 7.465 0.454 10.208 1.00 0.00 C ATOM 1156 CD1 LEU A 73 7.443 -0.343 11.499 1.00 0.00 C ATOM 1157 CD2 LEU A 73 6.628 -0.240 9.147 1.00 0.00 C ATOM 0 H LEU A 73 8.888 3.586 9.821 1.00 0.00 H new ATOM 0 HA LEU A 73 6.667 2.313 8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.509 2.304 11.276 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.907 1.802 10.775 1.00 0.00 H new ATOM 0 HG LEU A 73 8.494 0.517 9.853 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.816 -1.350 11.311 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.076 0.146 12.239 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.421 -0.399 11.875 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.010 -1.248 8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.591 -0.295 9.480 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.681 0.324 8.216 1.00 0.00 H new ATOM 1169 N TYR A 74 4.938 3.993 8.969 1.00 0.00 N ATOM 1170 CA TYR A 74 3.931 4.997 9.266 1.00 0.00 C ATOM 1171 C TYR A 74 2.655 4.320 9.750 1.00 0.00 C ATOM 1172 O TYR A 74 2.237 3.308 9.188 1.00 0.00 O ATOM 1173 CB TYR A 74 3.653 5.867 8.039 1.00 0.00 C ATOM 1174 CG TYR A 74 4.828 6.738 7.652 1.00 0.00 C ATOM 1175 CD1 TYR A 74 5.209 7.806 8.452 1.00 0.00 C ATOM 1176 CD2 TYR A 74 5.563 6.484 6.500 1.00 0.00 C ATOM 1177 CE1 TYR A 74 6.286 8.601 8.115 1.00 0.00 C ATOM 1178 CE2 TYR A 74 6.645 7.274 6.158 1.00 0.00 C ATOM 1179 CZ TYR A 74 7.001 8.332 6.971 1.00 0.00 C ATOM 1180 OH TYR A 74 8.079 9.119 6.643 1.00 0.00 O ATOM 0 H TYR A 74 4.639 3.282 8.302 1.00 0.00 H new ATOM 0 HA TYR A 74 4.305 5.647 10.057 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.391 5.225 7.198 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.789 6.500 8.238 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.654 8.019 9.353 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.285 5.658 5.863 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.566 9.431 8.747 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.208 7.065 5.261 1.00 0.00 H new ATOM 0 HH TYR A 74 8.477 8.797 5.807 1.00 0.00 H new ATOM 1190 N PRO A 75 2.036 4.849 10.818 1.00 0.00 N ATOM 1191 CA PRO A 75 0.830 4.265 11.404 1.00 0.00 C ATOM 1192 C PRO A 75 -0.405 4.467 10.531 1.00 0.00 C ATOM 1193 O PRO A 75 -0.597 5.534 9.944 1.00 0.00 O ATOM 1194 CB PRO A 75 0.663 5.006 12.740 1.00 0.00 C ATOM 1195 CG PRO A 75 1.910 5.811 12.920 1.00 0.00 C ATOM 1196 CD PRO A 75 2.459 6.051 11.547 1.00 0.00 C ATOM 0 HA PRO A 75 0.930 3.185 11.514 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.218 5.648 12.723 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.529 4.303 13.562 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.695 6.754 13.423 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.631 5.277 13.539 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.053 6.959 11.101 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.544 6.158 11.557 1.00 0.00 H new ATOM 1204 N LEU A 76 -1.233 3.436 10.453 1.00 0.00 N ATOM 1205 CA LEU A 76 -2.469 3.496 9.685 1.00 0.00 C ATOM 1206 C LEU A 76 -3.599 4.078 10.528 1.00 0.00 C ATOM 1207 O LEU A 76 -4.019 3.475 11.513 1.00 0.00 O ATOM 1208 CB LEU A 76 -2.855 2.102 9.187 1.00 0.00 C ATOM 1209 CG LEU A 76 -1.905 1.493 8.155 1.00 0.00 C ATOM 1210 CD1 LEU A 76 -2.293 0.055 7.860 1.00 0.00 C ATOM 1211 CD2 LEU A 76 -1.911 2.320 6.879 1.00 0.00 C ATOM 0 H LEU A 76 -1.070 2.542 10.915 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.304 4.146 8.826 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.913 1.431 10.044 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.854 2.152 8.753 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.895 1.499 8.566 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.607 -0.363 7.124 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.242 -0.531 8.778 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.309 0.026 7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.230 1.875 6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.919 2.342 6.465 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.588 3.337 7.103 1.00 0.00 H new ATOM 1223 N PRO A 77 -4.100 5.266 10.157 1.00 0.00 N ATOM 1224 CA PRO A 77 -5.191 5.927 10.874 1.00 0.00 C ATOM 1225 C PRO A 77 -6.564 5.441 10.418 1.00 0.00 C ATOM 1226 O PRO A 77 -7.598 5.969 10.832 1.00 0.00 O ATOM 1227 CB PRO A 77 -4.989 7.392 10.499 1.00 0.00 C ATOM 1228 CG PRO A 77 -4.442 7.345 9.112 1.00 0.00 C ATOM 1229 CD PRO A 77 -3.631 6.076 9.015 1.00 0.00 C ATOM 0 HA PRO A 77 -5.169 5.730 11.946 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.927 7.946 10.538 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.298 7.886 11.182 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.247 7.348 8.377 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.822 8.218 8.910 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.800 5.565 8.067 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.562 6.279 9.081 1.00 0.00 H new ATOM 1237 N GLY A 78 -6.564 4.433 9.563 1.00 0.00 N ATOM 1238 CA GLY A 78 -7.800 3.894 9.051 1.00 0.00 C ATOM 1239 C GLY A 78 -7.689 2.417 8.755 1.00 0.00 C ATOM 1240 O GLY A 78 -6.605 1.920 8.445 1.00 0.00 O ATOM 0 H GLY A 78 -5.722 3.976 9.213 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.597 4.060 9.776 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.080 4.427 8.142 1.00 0.00 H new ATOM 1244 N GLU A 79 -8.804 1.718 8.864 1.00 0.00 N ATOM 1245 CA GLU A 79 -8.851 0.296 8.570 1.00 0.00 C ATOM 1246 C GLU A 79 -9.285 0.079 7.128 1.00 0.00 C ATOM 1247 O GLU A 79 -8.784 -0.807 6.443 1.00 0.00 O ATOM 1248 CB GLU A 79 -9.812 -0.401 9.530 1.00 0.00 C ATOM 1249 CG GLU A 79 -9.358 -0.329 10.978 1.00 0.00 C ATOM 1250 CD GLU A 79 -10.465 -0.640 11.961 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -10.778 -1.831 12.162 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -11.025 0.307 12.552 1.00 0.00 O ATOM 0 H GLU A 79 -9.697 2.115 9.156 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.857 -0.132 8.701 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.799 0.053 9.441 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.914 -1.446 9.238 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.537 -1.029 11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.968 0.668 11.182 1.00 0.00 H new ATOM 1259 N THR A 80 -10.221 0.902 6.679 1.00 0.00 N ATOM 1260 CA THR A 80 -10.653 0.885 5.291 1.00 0.00 C ATOM 1261 C THR A 80 -10.168 2.155 4.589 1.00 0.00 C ATOM 1262 O THR A 80 -10.871 3.163 4.520 1.00 0.00 O ATOM 1263 CB THR A 80 -12.194 0.729 5.163 1.00 0.00 C ATOM 1264 OG1 THR A 80 -12.615 0.952 3.810 1.00 0.00 O ATOM 1265 CG2 THR A 80 -12.934 1.681 6.091 1.00 0.00 C ATOM 0 H THR A 80 -10.697 1.593 7.259 1.00 0.00 H new ATOM 0 HA THR A 80 -10.210 0.015 4.806 1.00 0.00 H new ATOM 0 HB THR A 80 -12.439 -0.292 5.454 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.524 1.318 3.806 1.00 0.00 H new ATOM 0 HG21 THR A 80 -14.009 1.542 5.973 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.653 1.474 7.124 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.671 2.709 5.842 1.00 0.00 H new ATOM 1273 N PHE A 81 -8.944 2.103 4.090 1.00 0.00 N ATOM 1274 CA PHE A 81 -8.292 3.283 3.547 1.00 0.00 C ATOM 1275 C PHE A 81 -7.963 3.106 2.070 1.00 0.00 C ATOM 1276 O PHE A 81 -8.175 2.039 1.494 1.00 0.00 O ATOM 1277 CB PHE A 81 -7.020 3.601 4.343 1.00 0.00 C ATOM 1278 CG PHE A 81 -6.023 2.471 4.396 1.00 0.00 C ATOM 1279 CD1 PHE A 81 -6.143 1.464 5.340 1.00 0.00 C ATOM 1280 CD2 PHE A 81 -4.963 2.425 3.507 1.00 0.00 C ATOM 1281 CE1 PHE A 81 -5.227 0.431 5.394 1.00 0.00 C ATOM 1282 CE2 PHE A 81 -4.042 1.395 3.558 1.00 0.00 C ATOM 1283 CZ PHE A 81 -4.175 0.397 4.501 1.00 0.00 C ATOM 0 H PHE A 81 -8.381 1.254 4.050 1.00 0.00 H new ATOM 0 HA PHE A 81 -8.985 4.120 3.636 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.539 4.474 3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.300 3.871 5.361 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.963 1.487 6.043 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.854 3.202 2.765 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.334 -0.349 6.134 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.219 1.372 2.860 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.458 -0.409 4.540 1.00 0.00 H new ATOM 1293 N ARG A 82 -7.445 4.160 1.465 1.00 0.00 N ATOM 1294 CA ARG A 82 -7.100 4.145 0.055 1.00 0.00 C ATOM 1295 C ARG A 82 -5.638 4.522 -0.135 1.00 0.00 C ATOM 1296 O ARG A 82 -5.170 5.517 0.415 1.00 0.00 O ATOM 1297 CB ARG A 82 -7.998 5.117 -0.713 1.00 0.00 C ATOM 1298 CG ARG A 82 -9.468 4.718 -0.714 1.00 0.00 C ATOM 1299 CD ARG A 82 -10.357 5.853 -1.198 1.00 0.00 C ATOM 1300 NE ARG A 82 -10.410 6.952 -0.236 1.00 0.00 N ATOM 1301 CZ ARG A 82 -10.854 8.176 -0.525 1.00 0.00 C ATOM 1302 NH1 ARG A 82 -11.289 8.458 -1.748 1.00 0.00 N ATOM 1303 NH2 ARG A 82 -10.871 9.119 0.412 1.00 0.00 N ATOM 0 H ARG A 82 -7.253 5.045 1.934 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.253 3.138 -0.333 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.900 6.111 -0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.648 5.185 -1.743 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -9.609 3.847 -1.354 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -9.767 4.425 0.293 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -9.984 6.224 -2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -11.364 5.475 -1.374 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.088 6.772 0.715 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -11.284 7.737 -2.470 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.628 9.395 -1.965 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.544 8.907 1.355 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -11.211 10.054 0.188 1.00 0.00 H new ATOM 1317 N LEU A 83 -4.919 3.715 -0.893 1.00 0.00 N ATOM 1318 CA LEU A 83 -3.531 4.001 -1.215 1.00 0.00 C ATOM 1319 C LEU A 83 -3.431 4.560 -2.625 1.00 0.00 C ATOM 1320 O LEU A 83 -3.923 3.956 -3.572 1.00 0.00 O ATOM 1321 CB LEU A 83 -2.677 2.735 -1.091 1.00 0.00 C ATOM 1322 CG LEU A 83 -2.546 2.172 0.326 1.00 0.00 C ATOM 1323 CD1 LEU A 83 -1.721 0.895 0.314 1.00 0.00 C ATOM 1324 CD2 LEU A 83 -1.919 3.204 1.254 1.00 0.00 C ATOM 0 H LEU A 83 -5.275 2.850 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.156 4.742 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.104 1.964 -1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.679 2.951 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.543 1.936 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.637 0.507 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.208 0.153 -0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.726 1.108 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.833 2.787 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.928 3.470 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.546 4.095 1.284 1.00 0.00 H new ATOM 1336 N TYR A 84 -2.801 5.709 -2.762 1.00 0.00 N ATOM 1337 CA TYR A 84 -2.696 6.366 -4.055 1.00 0.00 C ATOM 1338 C TYR A 84 -1.307 6.192 -4.641 1.00 0.00 C ATOM 1339 O TYR A 84 -0.376 6.916 -4.288 1.00 0.00 O ATOM 1340 CB TYR A 84 -3.038 7.851 -3.941 1.00 0.00 C ATOM 1341 CG TYR A 84 -4.510 8.114 -3.743 1.00 0.00 C ATOM 1342 CD1 TYR A 84 -5.355 8.271 -4.835 1.00 0.00 C ATOM 1343 CD2 TYR A 84 -5.059 8.201 -2.469 1.00 0.00 C ATOM 1344 CE1 TYR A 84 -6.703 8.508 -4.664 1.00 0.00 C ATOM 1345 CE2 TYR A 84 -6.408 8.437 -2.292 1.00 0.00 C ATOM 1346 CZ TYR A 84 -7.225 8.588 -3.393 1.00 0.00 C ATOM 1347 OH TYR A 84 -8.568 8.824 -3.224 1.00 0.00 O ATOM 0 H TYR A 84 -2.353 6.210 -1.995 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.415 5.895 -4.726 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.484 8.281 -3.106 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.703 8.363 -4.843 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -4.950 8.206 -5.834 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.421 8.082 -1.605 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.346 8.630 -5.523 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.821 8.503 -1.296 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.072 8.369 -3.931 1.00 0.00 H new ATOM 1357 N TYR A 85 -1.163 5.221 -5.523 1.00 0.00 N ATOM 1358 CA TYR A 85 0.099 5.005 -6.204 1.00 0.00 C ATOM 1359 C TYR A 85 0.195 5.899 -7.427 1.00 0.00 C ATOM 1360 O TYR A 85 -0.611 5.794 -8.352 1.00 0.00 O ATOM 1361 CB TYR A 85 0.277 3.538 -6.612 1.00 0.00 C ATOM 1362 CG TYR A 85 1.501 3.320 -7.472 1.00 0.00 C ATOM 1363 CD1 TYR A 85 2.778 3.459 -6.942 1.00 0.00 C ATOM 1364 CD2 TYR A 85 1.382 3.002 -8.819 1.00 0.00 C ATOM 1365 CE1 TYR A 85 3.900 3.294 -7.728 1.00 0.00 C ATOM 1366 CE2 TYR A 85 2.501 2.827 -9.613 1.00 0.00 C ATOM 1367 CZ TYR A 85 3.758 2.977 -9.064 1.00 0.00 C ATOM 1368 OH TYR A 85 4.875 2.826 -9.855 1.00 0.00 O ATOM 0 H TYR A 85 -1.904 4.570 -5.784 1.00 0.00 H new ATOM 0 HA TYR A 85 0.898 5.258 -5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.352 2.922 -5.716 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.608 3.205 -7.154 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.894 3.701 -5.896 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.400 2.890 -9.253 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.885 3.412 -7.300 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.391 2.574 -10.657 1.00 0.00 H new ATOM 0 HH TYR A 85 5.667 2.723 -9.287 1.00 0.00 H new ATOM 1378 N THR A 86 1.174 6.783 -7.423 1.00 0.00 N ATOM 1379 CA THR A 86 1.425 7.633 -8.566 1.00 0.00 C ATOM 1380 C THR A 86 2.421 6.952 -9.497 1.00 0.00 C ATOM 1381 O THR A 86 3.591 6.770 -9.143 1.00 0.00 O ATOM 1382 CB THR A 86 1.962 9.005 -8.128 1.00 0.00 C ATOM 1383 OG1 THR A 86 1.121 9.526 -7.088 1.00 0.00 O ATOM 1384 CG2 THR A 86 1.987 9.978 -9.299 1.00 0.00 C ATOM 0 H THR A 86 1.809 6.930 -6.638 1.00 0.00 H new ATOM 0 HA THR A 86 0.484 7.794 -9.093 1.00 0.00 H new ATOM 0 HB THR A 86 2.982 8.884 -7.762 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.458 10.401 -6.802 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.371 10.941 -8.963 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.631 9.585 -10.085 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.977 10.105 -9.688 1.00 0.00 H new ATOM 1392 N SER A 87 1.940 6.542 -10.660 1.00 0.00 N ATOM 1393 CA SER A 87 2.757 5.823 -11.619 1.00 0.00 C ATOM 1394 C SER A 87 3.787 6.753 -12.253 1.00 0.00 C ATOM 1395 O SER A 87 3.440 7.656 -13.016 1.00 0.00 O ATOM 1396 CB SER A 87 1.862 5.208 -12.691 1.00 0.00 C ATOM 1397 OG SER A 87 0.778 4.509 -12.102 1.00 0.00 O ATOM 0 H SER A 87 0.978 6.698 -10.963 1.00 0.00 H new ATOM 0 HA SER A 87 3.294 5.028 -11.102 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.482 5.991 -13.347 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.445 4.528 -13.311 1.00 0.00 H new ATOM 0 HG SER A 87 1.101 3.990 -11.336 1.00 0.00 H new ATOM 1403 N ALA A 88 5.051 6.540 -11.911 1.00 0.00 N ATOM 1404 CA ALA A 88 6.135 7.355 -12.439 1.00 0.00 C ATOM 1405 C ALA A 88 7.016 6.539 -13.375 1.00 0.00 C ATOM 1406 O ALA A 88 8.110 6.962 -13.746 1.00 0.00 O ATOM 1407 CB ALA A 88 6.959 7.937 -11.302 1.00 0.00 C ATOM 0 H ALA A 88 5.350 5.807 -11.268 1.00 0.00 H new ATOM 0 HA ALA A 88 5.702 8.176 -13.010 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.766 8.544 -11.711 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.322 8.557 -10.672 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.380 7.127 -10.706 1.00 0.00 H new ATOM 1413 N SER A 89 6.522 5.374 -13.760 1.00 0.00 N ATOM 1414 CA SER A 89 7.252 4.492 -14.655 1.00 0.00 C ATOM 1415 C SER A 89 6.318 3.920 -15.711 1.00 0.00 C ATOM 1416 O SER A 89 5.100 3.910 -15.530 1.00 0.00 O ATOM 1417 CB SER A 89 7.905 3.354 -13.865 1.00 0.00 C ATOM 1418 OG SER A 89 8.757 3.857 -12.848 1.00 0.00 O ATOM 0 H SER A 89 5.614 5.016 -13.465 1.00 0.00 H new ATOM 0 HA SER A 89 8.032 5.071 -15.150 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.132 2.728 -13.419 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.478 2.720 -14.542 1.00 0.00 H new ATOM 0 HG SER A 89 9.557 4.249 -13.256 1.00 0.00 H new ATOM 1424 N THR A 90 6.890 3.478 -16.820 1.00 0.00 N ATOM 1425 CA THR A 90 6.130 2.813 -17.860 1.00 0.00 C ATOM 1426 C THR A 90 6.486 1.327 -17.889 1.00 0.00 C ATOM 1427 O THR A 90 5.768 0.505 -18.461 1.00 0.00 O ATOM 1428 CB THR A 90 6.422 3.441 -19.235 1.00 0.00 C ATOM 1429 OG1 THR A 90 6.394 4.870 -19.125 1.00 0.00 O ATOM 1430 CG2 THR A 90 5.403 2.993 -20.268 1.00 0.00 C ATOM 0 H THR A 90 7.886 3.570 -17.021 1.00 0.00 H new ATOM 0 HA THR A 90 5.069 2.931 -17.642 1.00 0.00 H new ATOM 0 HB THR A 90 7.409 3.111 -19.560 1.00 0.00 H new ATOM 0 HG1 THR A 90 6.582 5.269 -20.000 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.634 3.452 -21.229 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.437 1.908 -20.366 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.406 3.297 -19.951 1.00 0.00 H new ATOM 1438 N ASP A 91 7.605 0.998 -17.256 1.00 0.00 N ATOM 1439 CA ASP A 91 8.083 -0.375 -17.195 1.00 0.00 C ATOM 1440 C ASP A 91 7.592 -1.053 -15.921 1.00 0.00 C ATOM 1441 O ASP A 91 6.862 -0.450 -15.139 1.00 0.00 O ATOM 1442 CB ASP A 91 9.616 -0.415 -17.276 1.00 0.00 C ATOM 1443 CG ASP A 91 10.293 0.338 -16.146 1.00 0.00 C ATOM 1444 OD1 ASP A 91 10.105 1.573 -16.051 1.00 0.00 O ATOM 1445 OD2 ASP A 91 11.042 -0.293 -15.368 1.00 0.00 O ATOM 0 H ASP A 91 8.202 1.670 -16.774 1.00 0.00 H new ATOM 0 HA ASP A 91 7.682 -0.920 -18.050 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.947 -1.453 -17.262 1.00 0.00 H new ATOM 0 HB3 ASP A 91 9.934 0.009 -18.229 1.00 0.00 H new ATOM 1450 N GLN A 92 8.002 -2.299 -15.725 1.00 0.00 N ATOM 1451 CA GLN A 92 7.528 -3.115 -14.611 1.00 0.00 C ATOM 1452 C GLN A 92 7.932 -2.523 -13.259 1.00 0.00 C ATOM 1453 O GLN A 92 9.116 -2.475 -12.919 1.00 0.00 O ATOM 1454 CB GLN A 92 8.083 -4.537 -14.745 1.00 0.00 C ATOM 1455 CG GLN A 92 7.706 -5.461 -13.598 1.00 0.00 C ATOM 1456 CD GLN A 92 8.371 -6.819 -13.709 1.00 0.00 C ATOM 1457 OE1 GLN A 92 8.633 -7.312 -14.806 1.00 0.00 O ATOM 1458 NE2 GLN A 92 8.657 -7.434 -12.570 1.00 0.00 N ATOM 0 H GLN A 92 8.671 -2.773 -16.331 1.00 0.00 H new ATOM 0 HA GLN A 92 6.439 -3.135 -14.649 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.724 -4.969 -15.679 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.170 -4.486 -14.815 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.989 -4.997 -12.653 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.624 -5.590 -13.579 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.424 -6.993 -11.680 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.110 -8.348 -12.584 1.00 0.00 H new ATOM 1467 N GLN A 93 6.941 -2.076 -12.494 1.00 0.00 N ATOM 1468 CA GLN A 93 7.179 -1.598 -11.140 1.00 0.00 C ATOM 1469 C GLN A 93 6.869 -2.704 -10.145 1.00 0.00 C ATOM 1470 O GLN A 93 5.713 -3.103 -9.995 1.00 0.00 O ATOM 1471 CB GLN A 93 6.316 -0.378 -10.800 1.00 0.00 C ATOM 1472 CG GLN A 93 6.414 0.767 -11.789 1.00 0.00 C ATOM 1473 CD GLN A 93 5.299 0.745 -12.816 1.00 0.00 C ATOM 1474 OE1 GLN A 93 4.800 -0.314 -13.191 1.00 0.00 O ATOM 1475 NE2 GLN A 93 4.882 1.922 -13.253 1.00 0.00 N ATOM 0 H GLN A 93 5.966 -2.036 -12.790 1.00 0.00 H new ATOM 0 HA GLN A 93 8.227 -1.305 -11.080 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.275 -0.694 -10.734 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.601 -0.013 -9.813 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.387 1.713 -11.248 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.375 0.720 -12.300 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.324 2.777 -12.916 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.118 1.974 -13.927 1.00 0.00 H new ATOM 1484 N THR A 94 7.892 -3.206 -9.481 1.00 0.00 N ATOM 1485 CA THR A 94 7.704 -4.237 -8.478 1.00 0.00 C ATOM 1486 C THR A 94 7.755 -3.623 -7.082 1.00 0.00 C ATOM 1487 O THR A 94 8.821 -3.248 -6.596 1.00 0.00 O ATOM 1488 CB THR A 94 8.775 -5.338 -8.613 1.00 0.00 C ATOM 1489 OG1 THR A 94 8.830 -5.784 -9.974 1.00 0.00 O ATOM 1490 CG2 THR A 94 8.467 -6.517 -7.700 1.00 0.00 C ATOM 0 H THR A 94 8.861 -2.917 -9.617 1.00 0.00 H new ATOM 0 HA THR A 94 6.726 -4.692 -8.633 1.00 0.00 H new ATOM 0 HB THR A 94 9.738 -4.921 -8.319 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.996 -5.545 -10.431 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.239 -7.278 -7.816 1.00 0.00 H new ATOM 0 HG22 THR A 94 8.444 -6.179 -6.664 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.498 -6.939 -7.966 1.00 0.00 H new ATOM 1498 N VAL A 95 6.593 -3.509 -6.454 1.00 0.00 N ATOM 1499 CA VAL A 95 6.482 -2.878 -5.148 1.00 0.00 C ATOM 1500 C VAL A 95 6.015 -3.888 -4.112 1.00 0.00 C ATOM 1501 O VAL A 95 4.933 -4.460 -4.233 1.00 0.00 O ATOM 1502 CB VAL A 95 5.491 -1.693 -5.175 1.00 0.00 C ATOM 1503 CG1 VAL A 95 5.455 -0.983 -3.829 1.00 0.00 C ATOM 1504 CG2 VAL A 95 5.845 -0.716 -6.285 1.00 0.00 C ATOM 0 H VAL A 95 5.708 -3.848 -6.832 1.00 0.00 H new ATOM 0 HA VAL A 95 7.470 -2.503 -4.883 1.00 0.00 H new ATOM 0 HB VAL A 95 4.497 -2.093 -5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.750 -0.153 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.141 -1.684 -3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.449 -0.603 -3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 95 5.133 0.109 -6.284 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.851 -0.328 -6.121 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.805 -1.228 -7.247 1.00 0.00 H new ATOM 1514 N ASP A 96 6.831 -4.110 -3.099 1.00 0.00 N ATOM 1515 CA ASP A 96 6.493 -5.050 -2.042 1.00 0.00 C ATOM 1516 C ASP A 96 6.043 -4.283 -0.801 1.00 0.00 C ATOM 1517 O ASP A 96 6.838 -3.573 -0.178 1.00 0.00 O ATOM 1518 CB ASP A 96 7.702 -5.939 -1.736 1.00 0.00 C ATOM 1519 CG ASP A 96 7.362 -7.127 -0.863 1.00 0.00 C ATOM 1520 OD1 ASP A 96 6.187 -7.542 -0.842 1.00 0.00 O ATOM 1521 OD2 ASP A 96 8.287 -7.661 -0.211 1.00 0.00 O ATOM 0 H ASP A 96 7.735 -3.652 -2.984 1.00 0.00 H new ATOM 0 HA ASP A 96 5.673 -5.691 -2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.129 -6.295 -2.673 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.469 -5.341 -1.243 1.00 0.00 H new ATOM 1526 N VAL A 97 4.763 -4.398 -0.463 1.00 0.00 N ATOM 1527 CA VAL A 97 4.183 -3.624 0.631 1.00 0.00 C ATOM 1528 C VAL A 97 4.031 -4.481 1.885 1.00 0.00 C ATOM 1529 O VAL A 97 3.649 -5.647 1.808 1.00 0.00 O ATOM 1530 CB VAL A 97 2.803 -3.043 0.240 1.00 0.00 C ATOM 1531 CG1 VAL A 97 2.281 -2.108 1.322 1.00 0.00 C ATOM 1532 CG2 VAL A 97 2.882 -2.318 -1.096 1.00 0.00 C ATOM 0 H VAL A 97 4.105 -5.021 -0.932 1.00 0.00 H new ATOM 0 HA VAL A 97 4.866 -2.800 0.838 1.00 0.00 H new ATOM 0 HB VAL A 97 2.105 -3.874 0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.310 -1.713 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.177 -2.657 2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.981 -1.284 1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.901 -1.918 -1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.600 -1.501 -1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.202 -3.016 -1.870 1.00 0.00 H new ATOM 1542 N TYR A 98 4.327 -3.893 3.036 1.00 0.00 N ATOM 1543 CA TYR A 98 4.285 -4.605 4.304 1.00 0.00 C ATOM 1544 C TYR A 98 3.306 -3.953 5.270 1.00 0.00 C ATOM 1545 O TYR A 98 3.434 -2.769 5.589 1.00 0.00 O ATOM 1546 CB TYR A 98 5.671 -4.620 4.954 1.00 0.00 C ATOM 1547 CG TYR A 98 6.768 -5.129 4.054 1.00 0.00 C ATOM 1548 CD1 TYR A 98 6.959 -6.490 3.866 1.00 0.00 C ATOM 1549 CD2 TYR A 98 7.613 -4.248 3.393 1.00 0.00 C ATOM 1550 CE1 TYR A 98 7.963 -6.957 3.045 1.00 0.00 C ATOM 1551 CE2 TYR A 98 8.618 -4.707 2.571 1.00 0.00 C ATOM 1552 CZ TYR A 98 8.788 -6.061 2.402 1.00 0.00 C ATOM 1553 OH TYR A 98 9.787 -6.527 1.581 1.00 0.00 O ATOM 0 H TYR A 98 4.602 -2.914 3.116 1.00 0.00 H new ATOM 0 HA TYR A 98 3.959 -5.623 4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.920 -3.609 5.276 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.634 -5.240 5.850 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.312 -7.193 4.370 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.480 -3.184 3.526 1.00 0.00 H new ATOM 0 HE1 TYR A 98 8.102 -8.019 2.907 1.00 0.00 H new ATOM 0 HE2 TYR A 98 9.267 -4.009 2.063 1.00 0.00 H new ATOM 0 HH TYR A 98 9.416 -7.182 0.953 1.00 0.00 H new ATOM 1563 N PHE A 99 2.334 -4.723 5.727 1.00 0.00 N ATOM 1564 CA PHE A 99 1.439 -4.283 6.786 1.00 0.00 C ATOM 1565 C PHE A 99 1.717 -5.093 8.045 1.00 0.00 C ATOM 1566 O PHE A 99 1.484 -6.300 8.070 1.00 0.00 O ATOM 1567 CB PHE A 99 -0.028 -4.464 6.381 1.00 0.00 C ATOM 1568 CG PHE A 99 -0.428 -3.724 5.136 1.00 0.00 C ATOM 1569 CD1 PHE A 99 -0.877 -2.417 5.210 1.00 0.00 C ATOM 1570 CD2 PHE A 99 -0.367 -4.341 3.897 1.00 0.00 C ATOM 1571 CE1 PHE A 99 -1.260 -1.736 4.069 1.00 0.00 C ATOM 1572 CE2 PHE A 99 -0.743 -3.666 2.753 1.00 0.00 C ATOM 1573 CZ PHE A 99 -1.190 -2.361 2.839 1.00 0.00 C ATOM 0 H PHE A 99 2.143 -5.663 5.379 1.00 0.00 H new ATOM 0 HA PHE A 99 1.616 -3.223 6.970 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.223 -5.526 6.235 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.662 -4.134 7.204 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.929 -1.924 6.169 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.021 -5.362 3.825 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.613 -0.718 4.139 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.688 -4.157 1.793 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.484 -1.830 1.946 1.00 0.00 H new ATOM 1583 N GLN A 100 2.228 -4.447 9.079 1.00 0.00 N ATOM 1584 CA GLN A 100 2.584 -5.155 10.301 1.00 0.00 C ATOM 1585 C GLN A 100 1.820 -4.607 11.498 1.00 0.00 C ATOM 1586 O GLN A 100 1.342 -3.469 11.479 1.00 0.00 O ATOM 1587 CB GLN A 100 4.090 -5.071 10.559 1.00 0.00 C ATOM 1588 CG GLN A 100 4.608 -3.655 10.732 1.00 0.00 C ATOM 1589 CD GLN A 100 6.090 -3.621 11.024 1.00 0.00 C ATOM 1590 OE1 GLN A 100 6.510 -3.640 12.181 1.00 0.00 O ATOM 1591 NE2 GLN A 100 6.891 -3.583 9.974 1.00 0.00 N ATOM 0 H GLN A 100 2.405 -3.443 9.100 1.00 0.00 H new ATOM 0 HA GLN A 100 2.308 -6.201 10.166 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.328 -5.646 11.454 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.617 -5.541 9.729 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.405 -3.082 9.827 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.068 -3.169 11.545 1.00 0.00 H new ATOM 0 HE21 GLN A 100 6.498 -3.568 9.033 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.903 -3.568 10.104 1.00 0.00 H new ATOM 1600 N ASP A 101 1.713 -5.427 12.534 1.00 0.00 N ATOM 1601 CA ASP A 101 1.038 -5.032 13.762 1.00 0.00 C ATOM 1602 C ASP A 101 2.028 -5.025 14.929 1.00 0.00 C ATOM 1603 O ASP A 101 3.145 -5.537 14.811 1.00 0.00 O ATOM 1604 CB ASP A 101 -0.141 -5.974 14.055 1.00 0.00 C ATOM 1605 CG ASP A 101 0.091 -6.856 15.265 1.00 0.00 C ATOM 1606 OD1 ASP A 101 0.775 -7.892 15.132 1.00 0.00 O ATOM 1607 OD2 ASP A 101 -0.382 -6.493 16.364 1.00 0.00 O ATOM 0 H ASP A 101 2.088 -6.376 12.548 1.00 0.00 H new ATOM 0 HA ASP A 101 0.644 -4.024 13.636 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.042 -5.381 14.212 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.321 -6.603 13.183 1.00 0.00 H new ATOM 1612 N SER A 102 1.604 -4.453 16.050 1.00 0.00 N ATOM 1613 CA SER A 102 2.448 -4.304 17.230 1.00 0.00 C ATOM 1614 C SER A 102 2.827 -5.647 17.867 1.00 0.00 C ATOM 1615 O SER A 102 3.844 -5.743 18.555 1.00 0.00 O ATOM 1616 CB SER A 102 1.727 -3.420 18.247 1.00 0.00 C ATOM 1617 OG SER A 102 0.341 -3.731 18.292 1.00 0.00 O ATOM 0 H SER A 102 0.662 -4.078 16.167 1.00 0.00 H new ATOM 0 HA SER A 102 3.382 -3.840 16.914 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.168 -3.559 19.234 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.861 -2.371 17.983 1.00 0.00 H new ATOM 0 HG SER A 102 -0.066 -3.300 19.073 1.00 0.00 H new ATOM 1623 N PHE A 103 2.022 -6.680 17.644 1.00 0.00 N ATOM 1624 CA PHE A 103 2.306 -7.995 18.207 1.00 0.00 C ATOM 1625 C PHE A 103 3.362 -8.715 17.370 1.00 0.00 C ATOM 1626 O PHE A 103 4.073 -9.594 17.863 1.00 0.00 O ATOM 1627 CB PHE A 103 1.023 -8.833 18.289 1.00 0.00 C ATOM 1628 CG PHE A 103 1.225 -10.207 18.871 1.00 0.00 C ATOM 1629 CD1 PHE A 103 1.444 -10.373 20.231 1.00 0.00 C ATOM 1630 CD2 PHE A 103 1.197 -11.329 18.058 1.00 0.00 C ATOM 1631 CE1 PHE A 103 1.633 -11.633 20.767 1.00 0.00 C ATOM 1632 CE2 PHE A 103 1.385 -12.591 18.589 1.00 0.00 C ATOM 1633 CZ PHE A 103 1.603 -12.744 19.946 1.00 0.00 C ATOM 0 H PHE A 103 1.173 -6.633 17.081 1.00 0.00 H new ATOM 0 HA PHE A 103 2.695 -7.862 19.216 1.00 0.00 H new ATOM 0 HB2 PHE A 103 0.290 -8.298 18.893 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.601 -8.932 17.289 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.467 -9.508 20.878 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.026 -11.216 16.998 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.804 -11.749 21.827 1.00 0.00 H new ATOM 0 HE2 PHE A 103 1.362 -13.457 17.944 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.749 -13.729 20.363 1.00 0.00 H new ATOM 1643 N GLY A 104 3.472 -8.329 16.108 1.00 0.00 N ATOM 1644 CA GLY A 104 4.486 -8.899 15.253 1.00 0.00 C ATOM 1645 C GLY A 104 3.908 -9.615 14.053 1.00 0.00 C ATOM 1646 O GLY A 104 4.623 -10.340 13.357 1.00 0.00 O ATOM 0 H GLY A 104 2.876 -7.631 15.663 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.153 -8.108 14.911 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.091 -9.598 15.831 1.00 0.00 H new ATOM 1650 N GLN A 105 2.615 -9.434 13.812 1.00 0.00 N ATOM 1651 CA GLN A 105 1.981 -10.001 12.633 1.00 0.00 C ATOM 1652 C GLN A 105 2.374 -9.189 11.409 1.00 0.00 C ATOM 1653 O GLN A 105 2.514 -7.968 11.492 1.00 0.00 O ATOM 1654 CB GLN A 105 0.458 -10.027 12.784 1.00 0.00 C ATOM 1655 CG GLN A 105 -0.032 -10.904 13.923 1.00 0.00 C ATOM 1656 CD GLN A 105 0.345 -12.363 13.745 1.00 0.00 C ATOM 1657 OE1 GLN A 105 1.395 -12.808 14.203 1.00 0.00 O ATOM 1658 NE2 GLN A 105 -0.500 -13.112 13.056 1.00 0.00 N ATOM 0 H GLN A 105 1.989 -8.901 14.416 1.00 0.00 H new ATOM 0 HA GLN A 105 2.322 -11.030 12.514 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.101 -9.009 12.942 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.016 -10.378 11.852 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.383 -10.538 14.862 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.116 -10.820 14.000 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.362 -12.706 12.692 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.290 -14.096 12.889 1.00 0.00 H new ATOM 1667 N LEU A 106 2.568 -9.857 10.283 1.00 0.00 N ATOM 1668 CA LEU A 106 3.043 -9.186 9.082 1.00 0.00 C ATOM 1669 C LEU A 106 2.370 -9.733 7.831 1.00 0.00 C ATOM 1670 O LEU A 106 2.474 -10.919 7.517 1.00 0.00 O ATOM 1671 CB LEU A 106 4.566 -9.328 8.967 1.00 0.00 C ATOM 1672 CG LEU A 106 5.199 -8.684 7.729 1.00 0.00 C ATOM 1673 CD1 LEU A 106 4.900 -7.194 7.680 1.00 0.00 C ATOM 1674 CD2 LEU A 106 6.701 -8.919 7.726 1.00 0.00 C ATOM 0 H LEU A 106 2.405 -10.858 10.175 1.00 0.00 H new ATOM 0 HA LEU A 106 2.784 -8.131 9.165 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.022 -8.891 9.855 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.815 -10.389 8.970 1.00 0.00 H new ATOM 0 HG LEU A 106 4.766 -9.148 6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.360 -6.760 6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.822 -7.040 7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.304 -6.712 8.571 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.140 -8.457 6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.140 -8.479 8.621 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.902 -9.990 7.713 1.00 0.00 H new ATOM 1686 N GLN A 107 1.685 -8.853 7.122 1.00 0.00 N ATOM 1687 CA GLN A 107 1.075 -9.186 5.850 1.00 0.00 C ATOM 1688 C GLN A 107 1.821 -8.472 4.736 1.00 0.00 C ATOM 1689 O GLN A 107 1.755 -7.246 4.619 1.00 0.00 O ATOM 1690 CB GLN A 107 -0.401 -8.779 5.841 1.00 0.00 C ATOM 1691 CG GLN A 107 -1.254 -9.526 6.855 1.00 0.00 C ATOM 1692 CD GLN A 107 -1.579 -10.943 6.424 1.00 0.00 C ATOM 1693 OE1 GLN A 107 -0.818 -11.579 5.697 1.00 0.00 O ATOM 1694 NE2 GLN A 107 -2.723 -11.452 6.864 1.00 0.00 N ATOM 0 H GLN A 107 1.537 -7.887 7.414 1.00 0.00 H new ATOM 0 HA GLN A 107 1.133 -10.263 5.696 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.474 -7.709 6.038 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.808 -8.948 4.844 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -0.732 -9.553 7.811 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.183 -8.978 7.015 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -3.331 -10.896 7.466 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.995 -12.399 6.600 1.00 0.00 H new ATOM 1703 N GLN A 108 2.549 -9.232 3.939 1.00 0.00 N ATOM 1704 CA GLN A 108 3.354 -8.656 2.871 1.00 0.00 C ATOM 1705 C GLN A 108 2.725 -8.924 1.509 1.00 0.00 C ATOM 1706 O GLN A 108 2.547 -10.075 1.103 1.00 0.00 O ATOM 1707 CB GLN A 108 4.793 -9.181 2.929 1.00 0.00 C ATOM 1708 CG GLN A 108 4.906 -10.697 2.975 1.00 0.00 C ATOM 1709 CD GLN A 108 6.332 -11.162 3.195 1.00 0.00 C ATOM 1710 OE1 GLN A 108 7.086 -11.372 2.246 1.00 0.00 O ATOM 1711 NE2 GLN A 108 6.712 -11.323 4.453 1.00 0.00 N ATOM 0 H GLN A 108 2.601 -10.248 4.008 1.00 0.00 H new ATOM 0 HA GLN A 108 3.386 -7.576 3.016 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.336 -8.814 2.058 1.00 0.00 H new ATOM 0 HB3 GLN A 108 5.284 -8.765 3.809 1.00 0.00 H new ATOM 0 HG2 GLN A 108 4.273 -11.082 3.775 1.00 0.00 H new ATOM 0 HG3 GLN A 108 4.530 -11.116 2.041 1.00 0.00 H new ATOM 0 HE21 GLN A 108 6.056 -11.138 5.212 1.00 0.00 H new ATOM 0 HE22 GLN A 108 7.661 -11.632 4.664 1.00 0.00 H new ATOM 1720 N LEU A 109 2.390 -7.851 0.816 1.00 0.00 N ATOM 1721 CA LEU A 109 1.718 -7.933 -0.468 1.00 0.00 C ATOM 1722 C LEU A 109 2.606 -7.359 -1.563 1.00 0.00 C ATOM 1723 O LEU A 109 2.853 -6.152 -1.607 1.00 0.00 O ATOM 1724 CB LEU A 109 0.394 -7.166 -0.412 1.00 0.00 C ATOM 1725 CG LEU A 109 -0.601 -7.644 0.653 1.00 0.00 C ATOM 1726 CD1 LEU A 109 -1.786 -6.696 0.737 1.00 0.00 C ATOM 1727 CD2 LEU A 109 -1.072 -9.061 0.348 1.00 0.00 C ATOM 0 H LEU A 109 2.576 -6.898 1.128 1.00 0.00 H new ATOM 0 HA LEU A 109 1.515 -8.980 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.611 -6.113 -0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.086 -7.232 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.095 -7.650 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.482 -7.050 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.436 -5.698 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.291 -6.659 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.777 -9.383 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.561 -9.080 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.215 -9.735 0.337 1.00 0.00 H new ATOM 1739 N THR A 110 3.095 -8.225 -2.433 1.00 0.00 N ATOM 1740 CA THR A 110 3.973 -7.811 -3.510 1.00 0.00 C ATOM 1741 C THR A 110 3.170 -7.526 -4.780 1.00 0.00 C ATOM 1742 O THR A 110 2.507 -8.417 -5.316 1.00 0.00 O ATOM 1743 CB THR A 110 5.021 -8.902 -3.798 1.00 0.00 C ATOM 1744 OG1 THR A 110 5.558 -9.395 -2.561 1.00 0.00 O ATOM 1745 CG2 THR A 110 6.150 -8.357 -4.664 1.00 0.00 C ATOM 0 H THR A 110 2.896 -9.225 -2.413 1.00 0.00 H new ATOM 0 HA THR A 110 4.482 -6.898 -3.200 1.00 0.00 H new ATOM 0 HB THR A 110 4.533 -9.714 -4.337 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.546 -8.680 -1.891 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.877 -9.147 -4.853 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.744 -8.003 -5.612 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.638 -7.530 -4.148 1.00 0.00 H new ATOM 1753 N PHE A 111 3.221 -6.286 -5.246 1.00 0.00 N ATOM 1754 CA PHE A 111 2.488 -5.879 -6.436 1.00 0.00 C ATOM 1755 C PHE A 111 3.445 -5.578 -7.584 1.00 0.00 C ATOM 1756 O PHE A 111 4.359 -4.762 -7.444 1.00 0.00 O ATOM 1757 CB PHE A 111 1.641 -4.635 -6.150 1.00 0.00 C ATOM 1758 CG PHE A 111 0.663 -4.799 -5.022 1.00 0.00 C ATOM 1759 CD1 PHE A 111 -0.462 -5.594 -5.172 1.00 0.00 C ATOM 1760 CD2 PHE A 111 0.864 -4.147 -3.816 1.00 0.00 C ATOM 1761 CE1 PHE A 111 -1.368 -5.737 -4.140 1.00 0.00 C ATOM 1762 CE2 PHE A 111 -0.037 -4.287 -2.779 1.00 0.00 C ATOM 1763 CZ PHE A 111 -1.155 -5.084 -2.941 1.00 0.00 C ATOM 0 H PHE A 111 3.766 -5.540 -4.814 1.00 0.00 H new ATOM 0 HA PHE A 111 1.834 -6.704 -6.720 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.306 -3.802 -5.921 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.094 -4.367 -7.054 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.632 -6.108 -6.107 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.735 -3.522 -3.686 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.242 -6.358 -4.270 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.131 -3.775 -1.843 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.861 -5.196 -2.131 1.00 0.00 H new ATOM 1773 N SER A 112 3.243 -6.240 -8.710 1.00 0.00 N ATOM 1774 CA SER A 112 4.022 -5.963 -9.903 1.00 0.00 C ATOM 1775 C SER A 112 3.140 -5.287 -10.946 1.00 0.00 C ATOM 1776 O SER A 112 2.204 -5.892 -11.472 1.00 0.00 O ATOM 1777 CB SER A 112 4.627 -7.254 -10.462 1.00 0.00 C ATOM 1778 OG SER A 112 5.504 -6.989 -11.544 1.00 0.00 O ATOM 0 H SER A 112 2.544 -6.975 -8.823 1.00 0.00 H new ATOM 0 HA SER A 112 4.841 -5.292 -9.644 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.168 -7.775 -9.673 1.00 0.00 H new ATOM 0 HB3 SER A 112 3.829 -7.918 -10.793 1.00 0.00 H new ATOM 0 HG SER A 112 5.875 -7.832 -11.878 1.00 0.00 H new ATOM 1784 N PHE A 113 3.422 -4.026 -11.222 1.00 0.00 N ATOM 1785 CA PHE A 113 2.642 -3.268 -12.186 1.00 0.00 C ATOM 1786 C PHE A 113 3.253 -3.394 -13.574 1.00 0.00 C ATOM 1787 O PHE A 113 4.463 -3.575 -13.707 1.00 0.00 O ATOM 1788 CB PHE A 113 2.561 -1.796 -11.777 1.00 0.00 C ATOM 1789 CG PHE A 113 1.932 -1.572 -10.432 1.00 0.00 C ATOM 1790 CD1 PHE A 113 0.559 -1.657 -10.273 1.00 0.00 C ATOM 1791 CD2 PHE A 113 2.713 -1.269 -9.330 1.00 0.00 C ATOM 1792 CE1 PHE A 113 -0.024 -1.445 -9.039 1.00 0.00 C ATOM 1793 CE2 PHE A 113 2.136 -1.055 -8.092 1.00 0.00 C ATOM 1794 CZ PHE A 113 0.766 -1.144 -7.949 1.00 0.00 C ATOM 0 H PHE A 113 4.186 -3.504 -10.792 1.00 0.00 H new ATOM 0 HA PHE A 113 1.632 -3.676 -12.207 1.00 0.00 H new ATOM 0 HB2 PHE A 113 3.566 -1.375 -11.772 1.00 0.00 H new ATOM 0 HB3 PHE A 113 1.991 -1.251 -12.529 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.063 -1.892 -11.124 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.785 -1.199 -9.439 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.096 -1.515 -8.928 1.00 0.00 H new ATOM 0 HE2 PHE A 113 2.755 -0.819 -7.239 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.312 -0.978 -6.983 1.00 0.00 H new