USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 775 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 76 SER OG : rot 78:sc= 0.997 USER MOD Set 1.2: A 80 CYS SG : rot -72:sc= 0.734 USER MOD Set 1.3: A 82 THR OG1 : rot 90:sc= 0.561 USER MOD Set 2.1: A 67 TYR OH : rot 180:sc= 0.0629 USER MOD Set 2.2: B 11 ASN : amide:sc= 0.115 K(o=0.18,f=-3!) USER MOD Set 3.1: A 65 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: B 13 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Set 4.1: A 17 HIS : no HD1:sc= -1 K(o=-1,f=-8.3!) USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= 0.654 F(o=0.089,f=0.65) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -162:sc= -0.0841 (180deg=-0.667) USER MOD Single : A 41 THR OG1 : rot -67:sc= 1.55 USER MOD Single : A 42 GLN : amide:sc= -0.0741 K(o=-0.074,f=-2!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.963 K(o=0.96,f=-2.9!) USER MOD Single : A 59 TYR OH : rot 174:sc= 1.25 USER MOD Single : A 61 CYS SG : rot -52:sc= 0.561 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 73 SER OG : rot 37:sc= 0.153 USER MOD Single : A 81 GLN : amide:sc= 0.583 K(o=0.58,f=-4.1!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 90 LYS NZ :NH3+ -174:sc= 1.03 (180deg=1) USER MOD Single : A 91 CYS SG : rot -120:sc= 0.366 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc=-0.00252 K(o=-0.0025,f=-0.59) USER MOD Single : A 102 GLN : amide:sc= 0.703 K(o=0.7,f=0) USER MOD Single : A 105 MET CE :methyl 171:sc= -0.351 (180deg=-0.597) USER MOD Single : B 6 HIS : no HD1:sc= 0.683 K(o=0.68,f=-2.4!) USER MOD Single : B 9 CYS SG : rot -120:sc= -0.241 USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N HIS A 17 -3.988 -16.909 -5.450 1.00 0.00 N ATOM 203 CA HIS A 17 -3.459 -16.113 -6.571 1.00 0.00 C ATOM 204 C HIS A 17 -2.601 -14.898 -6.101 1.00 0.00 C ATOM 205 O HIS A 17 -2.898 -14.316 -5.050 1.00 0.00 O ATOM 206 CB HIS A 17 -4.638 -15.658 -7.452 1.00 0.00 C ATOM 207 CG HIS A 17 -4.231 -15.216 -8.825 1.00 0.00 C ATOM 208 ND1 HIS A 17 -3.892 -13.911 -9.167 1.00 0.00 N ATOM 209 CD2 HIS A 17 -4.042 -16.029 -9.903 1.00 0.00 C ATOM 210 CE1 HIS A 17 -3.508 -13.966 -10.453 1.00 0.00 C ATOM 211 NE2 HIS A 17 -3.591 -15.223 -10.925 1.00 0.00 N ATOM 0 HA HIS A 17 -2.782 -16.742 -7.149 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.351 -16.478 -7.541 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.156 -14.838 -6.955 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.212 -17.095 -9.947 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.177 -13.115 -11.030 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -3.361 -15.526 -11.872 1.00 0.00 H new ATOM 219 N PRO A 18 -1.548 -14.492 -6.846 1.00 0.00 N ATOM 220 CA PRO A 18 -0.697 -13.360 -6.470 1.00 0.00 C ATOM 221 C PRO A 18 -1.340 -11.970 -6.638 1.00 0.00 C ATOM 222 O PRO A 18 -0.832 -11.030 -6.025 1.00 0.00 O ATOM 223 CB PRO A 18 0.571 -13.494 -7.321 1.00 0.00 C ATOM 224 CG PRO A 18 0.092 -14.254 -8.555 1.00 0.00 C ATOM 225 CD PRO A 18 -0.940 -15.208 -7.962 1.00 0.00 C ATOM 0 HA PRO A 18 -0.498 -13.409 -5.399 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.983 -12.520 -7.584 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.354 -14.039 -6.793 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.348 -13.589 -9.298 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.906 -14.788 -9.046 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.689 -15.484 -8.704 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.470 -16.132 -7.624 1.00 0.00 H new ATOM 233 N THR A 19 -2.429 -11.812 -7.417 1.00 0.00 N ATOM 234 CA THR A 19 -3.074 -10.502 -7.657 1.00 0.00 C ATOM 235 C THR A 19 -4.575 -10.470 -7.380 1.00 0.00 C ATOM 236 O THR A 19 -5.106 -9.387 -7.130 1.00 0.00 O ATOM 237 CB THR A 19 -2.788 -9.966 -9.068 1.00 0.00 C ATOM 238 OG1 THR A 19 -3.425 -10.770 -10.035 1.00 0.00 O ATOM 239 CG2 THR A 19 -1.294 -9.930 -9.390 1.00 0.00 C ATOM 0 H THR A 19 -2.887 -12.587 -7.897 1.00 0.00 H new ATOM 0 HA THR A 19 -2.612 -9.843 -6.922 1.00 0.00 H new ATOM 0 HB THR A 19 -3.174 -8.947 -9.093 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.236 -10.417 -10.930 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.148 -9.543 -10.399 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.783 -9.283 -8.676 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.883 -10.938 -9.325 1.00 0.00 H new ATOM 247 N LYS A 20 -5.258 -11.621 -7.359 1.00 0.00 N ATOM 248 CA LYS A 20 -6.647 -11.732 -6.886 1.00 0.00 C ATOM 249 C LYS A 20 -6.689 -12.470 -5.540 1.00 0.00 C ATOM 250 O LYS A 20 -5.861 -13.339 -5.266 1.00 0.00 O ATOM 251 CB LYS A 20 -7.534 -12.427 -7.943 1.00 0.00 C ATOM 252 CG LYS A 20 -8.095 -11.483 -9.015 1.00 0.00 C ATOM 253 CD LYS A 20 -7.061 -11.009 -10.046 1.00 0.00 C ATOM 254 CE LYS A 20 -6.355 -12.123 -10.835 1.00 0.00 C ATOM 255 NZ LYS A 20 -7.275 -12.844 -11.755 1.00 0.00 N ATOM 0 H LYS A 20 -4.862 -12.508 -7.671 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.048 -10.730 -6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.952 -13.208 -8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.365 -12.918 -7.437 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.907 -11.989 -9.538 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.527 -10.611 -8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.557 -10.345 -10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.305 -10.417 -9.530 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.536 -11.692 -11.411 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.914 -12.834 -10.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.749 -13.584 -12.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.044 -13.280 -11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.677 -12.173 -12.441 1.00 0.00 H new ATOM 269 N PHE A 21 -7.667 -12.142 -4.697 1.00 0.00 N ATOM 270 CA PHE A 21 -7.790 -12.706 -3.356 1.00 0.00 C ATOM 271 C PHE A 21 -9.264 -13.016 -3.081 1.00 0.00 C ATOM 272 O PHE A 21 -10.084 -12.113 -2.932 1.00 0.00 O ATOM 273 CB PHE A 21 -7.180 -11.731 -2.331 1.00 0.00 C ATOM 274 CG PHE A 21 -5.720 -11.357 -2.563 1.00 0.00 C ATOM 275 CD1 PHE A 21 -5.384 -10.278 -3.409 1.00 0.00 C ATOM 276 CD2 PHE A 21 -4.691 -12.070 -1.914 1.00 0.00 C ATOM 277 CE1 PHE A 21 -4.036 -9.933 -3.617 1.00 0.00 C ATOM 278 CE2 PHE A 21 -3.344 -11.710 -2.105 1.00 0.00 C ATOM 279 CZ PHE A 21 -3.017 -10.645 -2.963 1.00 0.00 C ATOM 0 H PHE A 21 -8.401 -11.472 -4.928 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.237 -13.642 -3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.774 -10.817 -2.328 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.270 -12.173 -1.339 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.165 -9.715 -3.899 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.938 -12.898 -1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.784 -9.119 -4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.562 -12.251 -1.593 1.00 0.00 H new ATOM 0 HZ PHE A 21 -1.983 -10.375 -3.119 1.00 0.00 H new ATOM 289 N LYS A 22 -9.623 -14.300 -3.038 1.00 0.00 N ATOM 290 CA LYS A 22 -10.977 -14.740 -2.679 1.00 0.00 C ATOM 291 C LYS A 22 -11.242 -14.460 -1.187 1.00 0.00 C ATOM 292 O LYS A 22 -10.412 -14.784 -0.334 1.00 0.00 O ATOM 293 CB LYS A 22 -11.136 -16.225 -3.056 1.00 0.00 C ATOM 294 CG LYS A 22 -11.344 -16.371 -4.573 1.00 0.00 C ATOM 295 CD LYS A 22 -11.161 -17.816 -5.061 1.00 0.00 C ATOM 296 CE LYS A 22 -11.359 -17.923 -6.582 1.00 0.00 C ATOM 297 NZ LYS A 22 -12.790 -17.838 -6.982 1.00 0.00 N ATOM 0 H LYS A 22 -8.985 -15.067 -3.251 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.728 -14.179 -3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.251 -16.782 -2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.984 -16.654 -2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.346 -16.028 -4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.640 -15.724 -5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.164 -18.167 -4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.873 -18.466 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.801 -17.127 -7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.943 -18.868 -6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.867 -17.916 -8.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.322 -18.613 -6.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.183 -16.926 -6.673 1.00 0.00 H new ATOM 311 N VAL A 23 -12.378 -13.830 -0.880 1.00 0.00 N ATOM 312 CA VAL A 23 -12.704 -13.283 0.453 1.00 0.00 C ATOM 313 C VAL A 23 -14.167 -13.528 0.838 1.00 0.00 C ATOM 314 O VAL A 23 -15.005 -13.824 -0.015 1.00 0.00 O ATOM 315 CB VAL A 23 -12.390 -11.767 0.565 1.00 0.00 C ATOM 316 CG1 VAL A 23 -10.889 -11.454 0.505 1.00 0.00 C ATOM 317 CG2 VAL A 23 -13.127 -10.909 -0.477 1.00 0.00 C ATOM 0 H VAL A 23 -13.120 -13.679 -1.564 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.063 -13.821 1.151 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.762 -11.498 1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.738 -10.378 0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.379 -11.957 1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.482 -11.805 -0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -12.860 -9.861 -0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.841 -11.228 -1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.203 -11.029 -0.352 1.00 0.00 H new ATOM 327 N THR A 24 -14.473 -13.356 2.128 1.00 0.00 N ATOM 328 CA THR A 24 -15.826 -13.455 2.688 1.00 0.00 C ATOM 329 C THR A 24 -16.006 -12.354 3.718 1.00 0.00 C ATOM 330 O THR A 24 -15.251 -12.298 4.682 1.00 0.00 O ATOM 331 CB THR A 24 -16.029 -14.838 3.323 1.00 0.00 C ATOM 332 OG1 THR A 24 -15.793 -15.849 2.365 1.00 0.00 O ATOM 333 CG2 THR A 24 -17.443 -15.027 3.869 1.00 0.00 C ATOM 0 H THR A 24 -13.767 -13.138 2.831 1.00 0.00 H new ATOM 0 HA THR A 24 -16.570 -13.335 1.900 1.00 0.00 H new ATOM 0 HB THR A 24 -15.323 -14.907 4.151 1.00 0.00 H new ATOM 0 HG1 THR A 24 -15.923 -16.728 2.778 1.00 0.00 H new ATOM 0 HG21 THR A 24 -17.534 -16.021 4.307 1.00 0.00 H new ATOM 0 HG22 THR A 24 -17.642 -14.274 4.632 1.00 0.00 H new ATOM 0 HG23 THR A 24 -18.163 -14.921 3.058 1.00 0.00 H new ATOM 341 N ASN A 25 -16.989 -11.473 3.530 1.00 0.00 N ATOM 342 CA ASN A 25 -17.306 -10.418 4.497 1.00 0.00 C ATOM 343 C ASN A 25 -17.845 -11.037 5.798 1.00 0.00 C ATOM 344 O ASN A 25 -18.711 -11.915 5.748 1.00 0.00 O ATOM 345 CB ASN A 25 -18.306 -9.428 3.871 1.00 0.00 C ATOM 346 CG ASN A 25 -18.581 -8.211 4.756 1.00 0.00 C ATOM 347 OD1 ASN A 25 -17.564 -7.456 5.128 1.00 0.00 O flip ATOM 348 ND2 ASN A 25 -19.714 -7.921 5.119 1.00 0.00 N flip ATOM 0 H ASN A 25 -17.588 -11.469 2.705 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.402 -9.865 4.751 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -17.920 -9.090 2.909 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.245 -9.945 3.674 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -20.504 -8.500 4.835 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -19.867 -7.100 5.705 1.00 0.00 H new ATOM 355 N VAL A 26 -17.335 -10.584 6.949 1.00 0.00 N ATOM 356 CA VAL A 26 -17.706 -11.101 8.275 1.00 0.00 C ATOM 357 C VAL A 26 -18.090 -9.988 9.254 1.00 0.00 C ATOM 358 O VAL A 26 -17.677 -8.837 9.108 1.00 0.00 O ATOM 359 CB VAL A 26 -16.628 -12.030 8.893 1.00 0.00 C ATOM 360 CG1 VAL A 26 -16.236 -13.198 7.971 1.00 0.00 C ATOM 361 CG2 VAL A 26 -15.348 -11.300 9.331 1.00 0.00 C ATOM 0 H VAL A 26 -16.642 -9.836 6.988 1.00 0.00 H new ATOM 0 HA VAL A 26 -18.592 -11.711 8.102 1.00 0.00 H new ATOM 0 HB VAL A 26 -17.119 -12.423 9.783 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.479 -13.810 8.461 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -17.115 -13.807 7.762 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.836 -12.805 7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.645 -12.019 9.752 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.894 -10.812 8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.596 -10.551 10.083 1.00 0.00 H new ATOM 371 N ASP A 27 -18.893 -10.354 10.255 1.00 0.00 N ATOM 372 CA ASP A 27 -19.328 -9.488 11.358 1.00 0.00 C ATOM 373 C ASP A 27 -18.282 -9.383 12.499 1.00 0.00 C ATOM 374 O ASP A 27 -17.135 -9.810 12.361 1.00 0.00 O ATOM 375 CB ASP A 27 -20.684 -10.000 11.879 1.00 0.00 C ATOM 376 CG ASP A 27 -20.524 -11.127 12.907 1.00 0.00 C ATOM 377 OD1 ASP A 27 -19.793 -12.099 12.618 1.00 0.00 O ATOM 378 OD2 ASP A 27 -21.052 -10.991 14.031 1.00 0.00 O ATOM 0 H ASP A 27 -19.274 -11.298 10.324 1.00 0.00 H new ATOM 0 HA ASP A 27 -19.435 -8.473 10.975 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -21.232 -9.174 12.331 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -21.281 -10.358 11.040 1.00 0.00 H new ATOM 383 N ASP A 28 -18.694 -8.842 13.653 1.00 0.00 N ATOM 384 CA ASP A 28 -17.862 -8.736 14.857 1.00 0.00 C ATOM 385 C ASP A 28 -17.489 -10.088 15.496 1.00 0.00 C ATOM 386 O ASP A 28 -16.380 -10.215 16.020 1.00 0.00 O ATOM 387 CB ASP A 28 -18.585 -7.848 15.882 1.00 0.00 C ATOM 388 CG ASP A 28 -17.744 -7.619 17.149 1.00 0.00 C ATOM 389 OD1 ASP A 28 -16.668 -6.984 17.050 1.00 0.00 O ATOM 390 OD2 ASP A 28 -18.178 -8.051 18.244 1.00 0.00 O ATOM 0 H ASP A 28 -19.631 -8.459 13.777 1.00 0.00 H new ATOM 0 HA ASP A 28 -16.915 -8.294 14.546 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.820 -6.887 15.425 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -19.533 -8.311 16.156 1.00 0.00 H new ATOM 395 N GLU A 29 -18.363 -11.103 15.442 1.00 0.00 N ATOM 396 CA GLU A 29 -18.047 -12.431 15.992 1.00 0.00 C ATOM 397 C GLU A 29 -17.204 -13.277 15.020 1.00 0.00 C ATOM 398 O GLU A 29 -16.403 -14.104 15.463 1.00 0.00 O ATOM 399 CB GLU A 29 -19.304 -13.206 16.420 1.00 0.00 C ATOM 400 CG GLU A 29 -20.300 -12.387 17.247 1.00 0.00 C ATOM 401 CD GLU A 29 -21.242 -13.300 18.046 1.00 0.00 C ATOM 402 OE1 GLU A 29 -22.315 -13.690 17.523 1.00 0.00 O ATOM 403 OE2 GLU A 29 -20.924 -13.631 19.212 1.00 0.00 O ATOM 0 H GLU A 29 -19.291 -11.031 15.025 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.451 -12.245 16.885 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -19.809 -13.577 15.528 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -18.999 -14.078 16.999 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -19.758 -11.732 17.930 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -20.884 -11.746 16.587 1.00 0.00 H new ATOM 410 N GLY A 30 -17.344 -13.052 13.704 1.00 0.00 N ATOM 411 CA GLY A 30 -16.545 -13.687 12.646 1.00 0.00 C ATOM 412 C GLY A 30 -17.384 -14.599 11.757 1.00 0.00 C ATOM 413 O GLY A 30 -16.837 -15.435 11.039 1.00 0.00 O ATOM 0 H GLY A 30 -18.039 -12.402 13.336 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -16.078 -12.916 12.034 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.740 -14.265 13.099 1.00 0.00 H new ATOM 417 N VAL A 31 -18.701 -14.437 11.813 1.00 0.00 N ATOM 418 CA VAL A 31 -19.713 -15.168 11.065 1.00 0.00 C ATOM 419 C VAL A 31 -19.705 -14.684 9.616 1.00 0.00 C ATOM 420 O VAL A 31 -19.555 -13.495 9.348 1.00 0.00 O ATOM 421 CB VAL A 31 -21.111 -14.933 11.674 1.00 0.00 C ATOM 422 CG1 VAL A 31 -22.097 -15.954 11.131 1.00 0.00 C ATOM 423 CG2 VAL A 31 -21.162 -15.032 13.213 1.00 0.00 C ATOM 0 H VAL A 31 -19.118 -13.739 12.429 1.00 0.00 H new ATOM 0 HA VAL A 31 -19.488 -16.234 11.109 1.00 0.00 H new ATOM 0 HB VAL A 31 -21.369 -13.912 11.392 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -23.080 -15.778 11.568 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -22.159 -15.859 10.047 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -21.760 -16.958 11.388 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -22.181 -14.853 13.556 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -20.844 -16.027 13.524 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -20.497 -14.286 13.648 1.00 0.00 H new ATOM 433 N GLU A 32 -19.868 -15.621 8.694 1.00 0.00 N ATOM 434 CA GLU A 32 -19.714 -15.430 7.249 1.00 0.00 C ATOM 435 C GLU A 32 -21.041 -14.977 6.625 1.00 0.00 C ATOM 436 O GLU A 32 -22.068 -15.648 6.770 1.00 0.00 O ATOM 437 CB GLU A 32 -19.242 -16.752 6.620 1.00 0.00 C ATOM 438 CG GLU A 32 -17.819 -17.135 7.051 1.00 0.00 C ATOM 439 CD GLU A 32 -17.437 -18.526 6.521 1.00 0.00 C ATOM 440 OE1 GLU A 32 -17.882 -19.542 7.107 1.00 0.00 O ATOM 441 OE2 GLU A 32 -16.682 -18.617 5.525 1.00 0.00 O ATOM 0 H GLU A 32 -20.122 -16.578 8.937 1.00 0.00 H new ATOM 0 HA GLU A 32 -18.973 -14.654 7.059 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -19.930 -17.550 6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -19.278 -16.667 5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.111 -16.394 6.680 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.750 -17.125 8.139 1.00 0.00 H new ATOM 448 N LEU A 33 -21.018 -13.831 5.935 1.00 0.00 N ATOM 449 CA LEU A 33 -22.223 -13.130 5.470 1.00 0.00 C ATOM 450 C LEU A 33 -22.408 -13.222 3.952 1.00 0.00 C ATOM 451 O LEU A 33 -23.468 -13.632 3.475 1.00 0.00 O ATOM 452 CB LEU A 33 -22.137 -11.658 5.916 1.00 0.00 C ATOM 453 CG LEU A 33 -21.823 -11.451 7.411 1.00 0.00 C ATOM 454 CD1 LEU A 33 -21.695 -9.955 7.677 1.00 0.00 C ATOM 455 CD2 LEU A 33 -22.894 -12.069 8.316 1.00 0.00 C ATOM 0 H LEU A 33 -20.151 -13.357 5.680 1.00 0.00 H new ATOM 0 HA LEU A 33 -23.094 -13.613 5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.369 -11.159 5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -23.083 -11.168 5.687 1.00 0.00 H new ATOM 0 HG LEU A 33 -20.887 -11.958 7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -21.473 -9.791 8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -20.889 -9.545 7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -22.631 -9.459 7.422 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -22.631 -11.899 9.360 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -23.859 -11.608 8.105 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -22.955 -13.141 8.128 1.00 0.00 H new ATOM 467 N GLY A 34 -21.368 -12.841 3.205 1.00 0.00 N ATOM 468 CA GLY A 34 -21.341 -12.853 1.735 1.00 0.00 C ATOM 469 C GLY A 34 -19.946 -13.061 1.151 1.00 0.00 C ATOM 470 O GLY A 34 -18.965 -12.528 1.667 1.00 0.00 O ATOM 0 H GLY A 34 -20.496 -12.506 3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.998 -13.644 1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -21.744 -11.910 1.365 1.00 0.00 H new ATOM 474 N SER A 35 -19.857 -13.818 0.061 1.00 0.00 N ATOM 475 CA SER A 35 -18.605 -14.115 -0.650 1.00 0.00 C ATOM 476 C SER A 35 -18.262 -13.056 -1.717 1.00 0.00 C ATOM 477 O SER A 35 -19.149 -12.467 -2.347 1.00 0.00 O ATOM 478 CB SER A 35 -18.695 -15.518 -1.277 1.00 0.00 C ATOM 479 OG SER A 35 -19.777 -15.630 -2.196 1.00 0.00 O ATOM 0 H SER A 35 -20.672 -14.256 -0.368 1.00 0.00 H new ATOM 0 HA SER A 35 -17.793 -14.088 0.077 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.760 -15.745 -1.790 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.814 -16.260 -0.487 1.00 0.00 H new ATOM 0 HG SER A 35 -19.795 -16.535 -2.571 1.00 0.00 H new ATOM 485 N GLY A 36 -16.963 -12.826 -1.939 1.00 0.00 N ATOM 486 CA GLY A 36 -16.445 -11.884 -2.933 1.00 0.00 C ATOM 487 C GLY A 36 -15.025 -12.195 -3.405 1.00 0.00 C ATOM 488 O GLY A 36 -14.322 -13.016 -2.811 1.00 0.00 O ATOM 0 H GLY A 36 -16.226 -13.302 -1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.111 -11.880 -3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.464 -10.879 -2.511 1.00 0.00 H new ATOM 492 N VAL A 37 -14.587 -11.495 -4.451 1.00 0.00 N ATOM 493 CA VAL A 37 -13.186 -11.499 -4.912 1.00 0.00 C ATOM 494 C VAL A 37 -12.626 -10.087 -4.767 1.00 0.00 C ATOM 495 O VAL A 37 -13.146 -9.149 -5.366 1.00 0.00 O ATOM 496 CB VAL A 37 -13.048 -12.002 -6.369 1.00 0.00 C ATOM 497 CG1 VAL A 37 -11.582 -11.975 -6.837 1.00 0.00 C ATOM 498 CG2 VAL A 37 -13.586 -13.435 -6.512 1.00 0.00 C ATOM 0 H VAL A 37 -15.196 -10.900 -5.013 1.00 0.00 H new ATOM 0 HA VAL A 37 -12.616 -12.195 -4.296 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.635 -11.327 -6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.521 -12.335 -7.864 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.203 -10.954 -6.787 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.982 -12.617 -6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.477 -13.763 -7.546 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.024 -14.102 -5.858 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.640 -13.458 -6.234 1.00 0.00 H new ATOM 508 N MET A 38 -11.564 -9.949 -3.974 1.00 0.00 N ATOM 509 CA MET A 38 -10.814 -8.709 -3.788 1.00 0.00 C ATOM 510 C MET A 38 -9.708 -8.596 -4.843 1.00 0.00 C ATOM 511 O MET A 38 -9.029 -9.572 -5.171 1.00 0.00 O ATOM 512 CB MET A 38 -10.257 -8.655 -2.354 1.00 0.00 C ATOM 513 CG MET A 38 -9.657 -7.285 -2.013 1.00 0.00 C ATOM 514 SD MET A 38 -10.869 -5.938 -1.947 1.00 0.00 S ATOM 515 CE MET A 38 -11.262 -6.007 -0.180 1.00 0.00 C ATOM 0 H MET A 38 -11.190 -10.724 -3.426 1.00 0.00 H new ATOM 0 HA MET A 38 -11.474 -7.852 -3.922 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.055 -8.886 -1.648 1.00 0.00 H new ATOM 0 HB3 MET A 38 -9.493 -9.423 -2.234 1.00 0.00 H new ATOM 0 HG2 MET A 38 -9.152 -7.352 -1.049 1.00 0.00 H new ATOM 0 HG3 MET A 38 -8.897 -7.039 -2.755 1.00 0.00 H new ATOM 0 HE1 MET A 38 -12.202 -5.488 0.004 1.00 0.00 H new ATOM 0 HE2 MET A 38 -11.355 -7.047 0.132 1.00 0.00 H new ATOM 0 HE3 MET A 38 -10.465 -5.528 0.389 1.00 0.00 H new ATOM 525 N GLU A 39 -9.528 -7.385 -5.360 1.00 0.00 N ATOM 526 CA GLU A 39 -8.605 -7.046 -6.437 1.00 0.00 C ATOM 527 C GLU A 39 -7.939 -5.701 -6.125 1.00 0.00 C ATOM 528 O GLU A 39 -8.610 -4.720 -5.781 1.00 0.00 O ATOM 529 CB GLU A 39 -9.388 -7.028 -7.760 1.00 0.00 C ATOM 530 CG GLU A 39 -8.506 -6.743 -8.981 1.00 0.00 C ATOM 531 CD GLU A 39 -9.298 -6.899 -10.289 1.00 0.00 C ATOM 532 OE1 GLU A 39 -10.396 -6.305 -10.412 1.00 0.00 O ATOM 533 OE2 GLU A 39 -8.824 -7.616 -11.201 1.00 0.00 O ATOM 0 H GLU A 39 -10.047 -6.574 -5.023 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.809 -7.785 -6.529 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.883 -7.990 -7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.171 -6.272 -7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.105 -5.732 -8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.655 -7.424 -8.985 1.00 0.00 H new ATOM 540 N LEU A 40 -6.605 -5.696 -6.234 1.00 0.00 N ATOM 541 CA LEU A 40 -5.713 -4.558 -6.003 1.00 0.00 C ATOM 542 C LEU A 40 -5.204 -4.059 -7.365 1.00 0.00 C ATOM 543 O LEU A 40 -4.861 -4.866 -8.238 1.00 0.00 O ATOM 544 CB LEU A 40 -4.519 -4.986 -5.116 1.00 0.00 C ATOM 545 CG LEU A 40 -4.774 -5.197 -3.606 1.00 0.00 C ATOM 546 CD1 LEU A 40 -5.748 -6.344 -3.296 1.00 0.00 C ATOM 547 CD2 LEU A 40 -3.435 -5.492 -2.913 1.00 0.00 C ATOM 0 H LEU A 40 -6.092 -6.536 -6.501 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.252 -3.762 -5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.120 -5.916 -5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.739 -4.232 -5.220 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.234 -4.281 -3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.877 -6.431 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.712 -6.138 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.347 -7.278 -3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.603 -5.643 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.994 -6.392 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.757 -4.651 -3.058 1.00 0.00 H new ATOM 559 N THR A 41 -5.143 -2.736 -7.541 1.00 0.00 N ATOM 560 CA THR A 41 -4.762 -2.063 -8.801 1.00 0.00 C ATOM 561 C THR A 41 -3.886 -0.844 -8.528 1.00 0.00 C ATOM 562 O THR A 41 -3.728 -0.440 -7.382 1.00 0.00 O ATOM 563 CB THR A 41 -6.008 -1.659 -9.610 1.00 0.00 C ATOM 564 OG1 THR A 41 -6.674 -0.621 -8.930 1.00 0.00 O ATOM 565 CG2 THR A 41 -6.999 -2.801 -9.855 1.00 0.00 C ATOM 0 H THR A 41 -5.362 -2.078 -6.793 1.00 0.00 H new ATOM 0 HA THR A 41 -4.185 -2.773 -9.393 1.00 0.00 H new ATOM 0 HB THR A 41 -5.649 -1.346 -10.590 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.039 -0.963 -8.087 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.846 -2.430 -10.431 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.505 -3.599 -10.409 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.352 -3.188 -8.899 1.00 0.00 H new ATOM 573 N GLN A 42 -3.366 -0.193 -9.569 1.00 0.00 N ATOM 574 CA GLN A 42 -2.692 1.112 -9.439 1.00 0.00 C ATOM 575 C GLN A 42 -3.693 2.283 -9.265 1.00 0.00 C ATOM 576 O GLN A 42 -3.300 3.449 -9.310 1.00 0.00 O ATOM 577 CB GLN A 42 -1.743 1.322 -10.637 1.00 0.00 C ATOM 578 CG GLN A 42 -0.533 0.362 -10.651 1.00 0.00 C ATOM 579 CD GLN A 42 0.558 0.687 -9.620 1.00 0.00 C ATOM 580 OE1 GLN A 42 0.364 1.385 -8.633 1.00 0.00 O ATOM 581 NE2 GLN A 42 1.767 0.194 -9.810 1.00 0.00 N ATOM 0 H GLN A 42 -3.397 -0.548 -10.525 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.099 1.104 -8.524 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.306 1.195 -11.561 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.379 2.349 -10.624 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.890 -0.653 -10.474 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.088 0.375 -11.646 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.957 -0.391 -10.624 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.511 0.398 -9.143 1.00 0.00 H new ATOM 590 N SER A 43 -4.983 1.997 -9.056 1.00 0.00 N ATOM 591 CA SER A 43 -6.050 2.993 -8.894 1.00 0.00 C ATOM 592 C SER A 43 -6.737 2.919 -7.517 1.00 0.00 C ATOM 593 O SER A 43 -6.859 3.940 -6.834 1.00 0.00 O ATOM 594 CB SER A 43 -7.077 2.781 -10.021 1.00 0.00 C ATOM 595 OG SER A 43 -8.134 3.727 -9.960 1.00 0.00 O ATOM 0 H SER A 43 -5.324 1.038 -8.993 1.00 0.00 H new ATOM 0 HA SER A 43 -5.606 3.987 -8.953 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.577 2.857 -10.987 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.487 1.773 -9.953 1.00 0.00 H new ATOM 0 HG SER A 43 -8.764 3.561 -10.692 1.00 0.00 H new ATOM 601 N GLU A 44 -7.155 1.720 -7.090 1.00 0.00 N ATOM 602 CA GLU A 44 -8.024 1.494 -5.928 1.00 0.00 C ATOM 603 C GLU A 44 -8.191 -0.003 -5.598 1.00 0.00 C ATOM 604 O GLU A 44 -7.803 -0.879 -6.380 1.00 0.00 O ATOM 605 CB GLU A 44 -9.406 2.145 -6.181 1.00 0.00 C ATOM 606 CG GLU A 44 -10.175 1.585 -7.392 1.00 0.00 C ATOM 607 CD GLU A 44 -11.490 2.340 -7.677 1.00 0.00 C ATOM 608 OE1 GLU A 44 -11.904 3.216 -6.879 1.00 0.00 O ATOM 609 OE2 GLU A 44 -12.120 2.046 -8.722 1.00 0.00 O ATOM 0 H GLU A 44 -6.889 0.854 -7.559 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.547 1.957 -5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.020 2.018 -5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.266 3.217 -6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.537 1.634 -8.274 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.398 0.532 -7.218 1.00 0.00 H new ATOM 616 N LEU A 45 -8.817 -0.297 -4.451 1.00 0.00 N ATOM 617 CA LEU A 45 -9.285 -1.642 -4.099 1.00 0.00 C ATOM 618 C LEU A 45 -10.678 -1.869 -4.688 1.00 0.00 C ATOM 619 O LEU A 45 -11.516 -0.964 -4.636 1.00 0.00 O ATOM 620 CB LEU A 45 -9.362 -1.804 -2.566 1.00 0.00 C ATOM 621 CG LEU A 45 -8.083 -2.351 -1.917 1.00 0.00 C ATOM 622 CD1 LEU A 45 -8.249 -2.406 -0.396 1.00 0.00 C ATOM 623 CD2 LEU A 45 -7.755 -3.766 -2.405 1.00 0.00 C ATOM 0 H LEU A 45 -9.014 0.401 -3.734 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.581 -2.370 -4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.593 -0.836 -2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.190 -2.471 -2.325 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.272 -1.679 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.337 -2.795 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.444 -1.404 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.085 -3.058 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.843 -4.115 -1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.577 -4.437 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.611 -3.754 -3.485 1.00 0.00 H new ATOM 635 N VAL A 46 -10.935 -3.075 -5.203 1.00 0.00 N ATOM 636 CA VAL A 46 -12.234 -3.462 -5.779 1.00 0.00 C ATOM 637 C VAL A 46 -12.674 -4.845 -5.288 1.00 0.00 C ATOM 638 O VAL A 46 -11.930 -5.815 -5.413 1.00 0.00 O ATOM 639 CB VAL A 46 -12.193 -3.451 -7.329 1.00 0.00 C ATOM 640 CG1 VAL A 46 -13.592 -3.719 -7.913 1.00 0.00 C ATOM 641 CG2 VAL A 46 -11.676 -2.117 -7.899 1.00 0.00 C ATOM 0 H VAL A 46 -10.241 -3.822 -5.234 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.960 -2.722 -5.442 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.501 -4.242 -7.618 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.540 -3.707 -9.002 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.946 -4.694 -7.577 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.282 -2.946 -7.574 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.668 -2.165 -8.988 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.329 -1.306 -7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.664 -1.934 -7.537 1.00 0.00 H new ATOM 651 N LEU A 47 -13.904 -4.930 -4.766 1.00 0.00 N ATOM 652 CA LEU A 47 -14.614 -6.178 -4.479 1.00 0.00 C ATOM 653 C LEU A 47 -15.617 -6.465 -5.589 1.00 0.00 C ATOM 654 O LEU A 47 -16.446 -5.619 -5.935 1.00 0.00 O ATOM 655 CB LEU A 47 -15.417 -6.108 -3.171 1.00 0.00 C ATOM 656 CG LEU A 47 -14.614 -6.235 -1.876 1.00 0.00 C ATOM 657 CD1 LEU A 47 -15.558 -5.952 -0.704 1.00 0.00 C ATOM 658 CD2 LEU A 47 -14.002 -7.624 -1.658 1.00 0.00 C ATOM 0 H LEU A 47 -14.449 -4.102 -4.524 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.853 -6.954 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.954 -5.160 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -16.167 -6.898 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.789 -5.526 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -15.009 -6.036 0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -15.963 -4.944 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -16.375 -6.674 -0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.448 -7.634 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.796 -8.370 -1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.326 -7.857 -2.481 1.00 0.00 H new ATOM 670 N HIS A 48 -15.588 -7.712 -6.043 1.00 0.00 N ATOM 671 CA HIS A 48 -16.538 -8.325 -6.970 1.00 0.00 C ATOM 672 C HIS A 48 -17.439 -9.330 -6.226 1.00 0.00 C ATOM 673 O HIS A 48 -16.914 -10.228 -5.560 1.00 0.00 O ATOM 674 CB HIS A 48 -15.728 -9.007 -8.084 1.00 0.00 C ATOM 675 CG HIS A 48 -14.835 -8.067 -8.854 1.00 0.00 C ATOM 676 ND1 HIS A 48 -15.267 -7.135 -9.802 1.00 0.00 N ATOM 677 CD2 HIS A 48 -13.475 -8.000 -8.752 1.00 0.00 C ATOM 678 CE1 HIS A 48 -14.150 -6.529 -10.244 1.00 0.00 C ATOM 679 NE2 HIS A 48 -13.060 -7.028 -9.635 1.00 0.00 N ATOM 0 H HIS A 48 -14.857 -8.364 -5.758 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.196 -7.573 -7.406 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -15.116 -9.795 -7.645 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -16.417 -9.488 -8.778 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.847 -8.594 -8.105 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.131 -5.747 -10.988 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.096 -6.738 -9.798 1.00 0.00 H new ATOM 687 N LEU A 49 -18.768 -9.180 -6.324 1.00 0.00 N ATOM 688 CA LEU A 49 -19.792 -10.001 -5.652 1.00 0.00 C ATOM 689 C LEU A 49 -20.878 -10.468 -6.647 1.00 0.00 C ATOM 690 O LEU A 49 -20.918 -10.014 -7.792 1.00 0.00 O ATOM 691 CB LEU A 49 -20.436 -9.202 -4.493 1.00 0.00 C ATOM 692 CG LEU A 49 -19.470 -8.698 -3.395 1.00 0.00 C ATOM 693 CD1 LEU A 49 -19.036 -7.244 -3.640 1.00 0.00 C ATOM 694 CD2 LEU A 49 -20.150 -8.754 -2.020 1.00 0.00 C ATOM 0 H LEU A 49 -19.181 -8.448 -6.902 1.00 0.00 H new ATOM 0 HA LEU A 49 -19.304 -10.888 -5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -20.954 -8.341 -4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -21.193 -9.830 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 49 -18.596 -9.348 -3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -18.358 -6.928 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -18.528 -7.173 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -19.914 -6.598 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -19.458 -8.396 -1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -21.039 -8.124 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -20.436 -9.782 -1.797 1.00 0.00 H new ATOM 786 N ALA A 54 -20.606 -4.329 -7.327 1.00 0.00 N ATOM 787 CA ALA A 54 -19.184 -4.198 -6.994 1.00 0.00 C ATOM 788 C ALA A 54 -18.935 -3.012 -6.035 1.00 0.00 C ATOM 789 O ALA A 54 -19.655 -2.007 -6.085 1.00 0.00 O ATOM 790 CB ALA A 54 -18.384 -4.071 -8.299 1.00 0.00 C ATOM 0 HA ALA A 54 -18.848 -5.087 -6.461 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.323 -3.973 -8.067 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -18.541 -4.960 -8.910 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.719 -3.190 -8.847 1.00 0.00 H new ATOM 796 N VAL A 55 -17.906 -3.108 -5.187 1.00 0.00 N ATOM 797 CA VAL A 55 -17.611 -2.099 -4.143 1.00 0.00 C ATOM 798 C VAL A 55 -16.150 -1.657 -4.202 1.00 0.00 C ATOM 799 O VAL A 55 -15.246 -2.488 -4.197 1.00 0.00 O ATOM 800 CB VAL A 55 -17.973 -2.569 -2.712 1.00 0.00 C ATOM 801 CG1 VAL A 55 -17.858 -1.397 -1.718 1.00 0.00 C ATOM 802 CG2 VAL A 55 -19.402 -3.127 -2.627 1.00 0.00 C ATOM 0 H VAL A 55 -17.247 -3.887 -5.198 1.00 0.00 H new ATOM 0 HA VAL A 55 -18.253 -1.247 -4.364 1.00 0.00 H new ATOM 0 HB VAL A 55 -17.269 -3.362 -2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -18.115 -1.743 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -16.836 -1.018 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -18.541 -0.601 -2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -19.609 -3.443 -1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -20.113 -2.353 -2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -19.500 -3.981 -3.298 1.00 0.00 H new ATOM 812 N ARG A 56 -15.947 -0.342 -4.275 1.00 0.00 N ATOM 813 CA ARG A 56 -14.673 0.322 -4.557 1.00 0.00 C ATOM 814 C ARG A 56 -14.225 1.230 -3.402 1.00 0.00 C ATOM 815 O ARG A 56 -15.048 1.930 -2.804 1.00 0.00 O ATOM 816 CB ARG A 56 -14.865 1.181 -5.816 1.00 0.00 C ATOM 817 CG ARG A 56 -15.222 0.355 -7.065 1.00 0.00 C ATOM 818 CD ARG A 56 -15.777 1.229 -8.196 1.00 0.00 C ATOM 819 NE ARG A 56 -17.071 1.870 -7.870 1.00 0.00 N ATOM 820 CZ ARG A 56 -18.252 1.277 -7.718 1.00 0.00 C ATOM 821 NH1 ARG A 56 -18.397 -0.026 -7.831 1.00 0.00 N ATOM 822 NH2 ARG A 56 -19.317 1.998 -7.444 1.00 0.00 N ATOM 0 H ARG A 56 -16.706 0.324 -4.132 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.905 -0.439 -4.694 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -15.654 1.911 -5.633 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.950 1.742 -6.008 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.335 -0.171 -7.417 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.958 -0.403 -6.799 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.048 2.003 -8.437 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -15.899 0.617 -9.090 1.00 0.00 H new ATOM 0 HE ARG A 56 -17.055 2.883 -7.748 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -17.589 -0.613 -8.041 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -19.317 -0.449 -7.708 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -19.237 3.010 -7.348 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -20.223 1.545 -7.327 1.00 0.00 H new ATOM 836 N TRP A 57 -12.913 1.285 -3.148 1.00 0.00 N ATOM 837 CA TRP A 57 -12.296 2.179 -2.156 1.00 0.00 C ATOM 838 C TRP A 57 -10.976 2.789 -2.672 1.00 0.00 C ATOM 839 O TRP A 57 -10.007 2.039 -2.846 1.00 0.00 O ATOM 840 CB TRP A 57 -12.049 1.421 -0.845 1.00 0.00 C ATOM 841 CG TRP A 57 -13.278 1.008 -0.106 1.00 0.00 C ATOM 842 CD1 TRP A 57 -14.048 1.800 0.673 1.00 0.00 C ATOM 843 CD2 TRP A 57 -13.905 -0.305 -0.076 1.00 0.00 C ATOM 844 NE1 TRP A 57 -15.091 1.063 1.195 1.00 0.00 N ATOM 845 CE2 TRP A 57 -15.033 -0.257 0.796 1.00 0.00 C ATOM 846 CE3 TRP A 57 -13.613 -1.538 -0.696 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -15.797 -1.395 1.094 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -14.387 -2.675 -0.424 1.00 0.00 C ATOM 849 CH2 TRP A 57 -15.461 -2.614 0.482 1.00 0.00 C ATOM 0 H TRP A 57 -12.235 0.699 -3.635 1.00 0.00 H new ATOM 0 HA TRP A 57 -12.990 3.000 -1.977 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -11.461 0.530 -1.065 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -11.445 2.049 -0.190 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -13.873 2.850 0.858 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -15.816 1.447 1.801 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -12.786 -1.607 -1.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -16.628 -1.335 1.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -14.156 -3.608 -0.916 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.028 -3.505 0.707 1.00 0.00 H new ATOM 860 N PRO A 58 -10.904 4.122 -2.887 1.00 0.00 N ATOM 861 CA PRO A 58 -9.667 4.801 -3.257 1.00 0.00 C ATOM 862 C PRO A 58 -8.666 4.745 -2.108 1.00 0.00 C ATOM 863 O PRO A 58 -9.031 4.872 -0.940 1.00 0.00 O ATOM 864 CB PRO A 58 -10.052 6.249 -3.579 1.00 0.00 C ATOM 865 CG PRO A 58 -11.325 6.476 -2.769 1.00 0.00 C ATOM 866 CD PRO A 58 -11.985 5.097 -2.772 1.00 0.00 C ATOM 0 HA PRO A 58 -9.191 4.325 -4.114 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.265 6.946 -3.291 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.226 6.389 -4.646 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.104 6.816 -1.757 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.965 7.231 -3.226 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.556 4.938 -1.857 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.683 5.003 -3.604 1.00 0.00 H new ATOM 874 N TYR A 59 -7.384 4.606 -2.442 1.00 0.00 N ATOM 875 CA TYR A 59 -6.305 4.523 -1.453 1.00 0.00 C ATOM 876 C TYR A 59 -6.181 5.769 -0.555 1.00 0.00 C ATOM 877 O TYR A 59 -5.699 5.668 0.573 1.00 0.00 O ATOM 878 CB TYR A 59 -4.995 4.219 -2.183 1.00 0.00 C ATOM 879 CG TYR A 59 -4.952 2.887 -2.920 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.305 1.685 -2.267 1.00 0.00 C ATOM 881 CD2 TYR A 59 -4.495 2.843 -4.252 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.218 0.460 -2.945 1.00 0.00 C ATOM 883 CE2 TYR A 59 -4.388 1.612 -4.927 1.00 0.00 C ATOM 884 CZ TYR A 59 -4.752 0.414 -4.273 1.00 0.00 C ATOM 885 OH TYR A 59 -4.642 -0.787 -4.899 1.00 0.00 O ATOM 0 H TYR A 59 -7.061 4.547 -3.408 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.548 3.715 -0.763 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.804 5.018 -2.900 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.181 4.240 -1.458 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.643 1.709 -1.242 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.225 3.758 -4.758 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.510 -0.452 -2.446 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.028 1.584 -5.945 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.400 -0.645 -5.838 1.00 0.00 H new ATOM 895 N LEU A 60 -6.700 6.916 -1.010 1.00 0.00 N ATOM 896 CA LEU A 60 -6.829 8.157 -0.254 1.00 0.00 C ATOM 897 C LEU A 60 -7.725 7.979 0.985 1.00 0.00 C ATOM 898 O LEU A 60 -7.349 8.375 2.089 1.00 0.00 O ATOM 899 CB LEU A 60 -7.367 9.214 -1.237 1.00 0.00 C ATOM 900 CG LEU A 60 -6.828 10.627 -0.966 1.00 0.00 C ATOM 901 CD1 LEU A 60 -7.309 11.549 -2.086 1.00 0.00 C ATOM 902 CD2 LEU A 60 -7.246 11.176 0.399 1.00 0.00 C ATOM 0 H LEU A 60 -7.057 7.003 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.867 8.477 0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.104 8.921 -2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.455 9.231 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.739 10.578 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.936 12.558 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.935 11.185 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.399 11.563 -2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.834 12.177 0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.334 11.221 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.869 10.522 1.185 1.00 0.00 H new ATOM 914 N CYS A 61 -8.892 7.339 0.822 1.00 0.00 N ATOM 915 CA CYS A 61 -9.830 7.099 1.932 1.00 0.00 C ATOM 916 C CYS A 61 -9.424 5.926 2.851 1.00 0.00 C ATOM 917 O CYS A 61 -9.901 5.845 3.985 1.00 0.00 O ATOM 918 CB CYS A 61 -11.264 6.974 1.383 1.00 0.00 C ATOM 919 SG CYS A 61 -11.647 5.269 0.872 1.00 0.00 S ATOM 0 H CYS A 61 -9.212 6.975 -0.075 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.790 7.966 2.591 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.974 7.293 2.146 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.387 7.645 0.533 1.00 0.00 H new ATOM 0 HG CYS A 61 -10.718 4.837 0.071 1.00 0.00 H new ATOM 925 N LEU A 62 -8.524 5.049 2.388 1.00 0.00 N ATOM 926 CA LEU A 62 -8.003 3.883 3.113 1.00 0.00 C ATOM 927 C LEU A 62 -6.880 4.289 4.080 1.00 0.00 C ATOM 928 O LEU A 62 -5.717 3.919 3.921 1.00 0.00 O ATOM 929 CB LEU A 62 -7.563 2.805 2.101 1.00 0.00 C ATOM 930 CG LEU A 62 -8.719 2.171 1.302 1.00 0.00 C ATOM 931 CD1 LEU A 62 -8.142 1.280 0.201 1.00 0.00 C ATOM 932 CD2 LEU A 62 -9.644 1.359 2.215 1.00 0.00 C ATOM 0 H LEU A 62 -8.121 5.137 1.455 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.791 3.455 3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.855 3.249 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.032 2.017 2.636 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.314 2.967 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.956 0.830 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.523 1.880 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.535 0.494 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.449 0.924 1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.075 0.562 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.067 2.012 2.978 1.00 0.00 H new ATOM 944 N ARG A 63 -7.234 5.071 5.102 1.00 0.00 N ATOM 945 CA ARG A 63 -6.258 5.672 6.030 1.00 0.00 C ATOM 946 C ARG A 63 -5.593 4.655 6.975 1.00 0.00 C ATOM 947 O ARG A 63 -4.484 4.899 7.446 1.00 0.00 O ATOM 948 CB ARG A 63 -6.914 6.803 6.838 1.00 0.00 C ATOM 949 CG ARG A 63 -7.374 7.966 5.946 1.00 0.00 C ATOM 950 CD ARG A 63 -7.892 9.130 6.797 1.00 0.00 C ATOM 951 NE ARG A 63 -8.290 10.269 5.953 1.00 0.00 N ATOM 952 CZ ARG A 63 -8.785 11.425 6.381 1.00 0.00 C ATOM 953 NH1 ARG A 63 -8.982 11.671 7.660 1.00 0.00 N ATOM 954 NH2 ARG A 63 -9.092 12.366 5.513 1.00 0.00 N ATOM 0 H ARG A 63 -8.203 5.309 5.314 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.459 6.077 5.409 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.770 6.407 7.385 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.206 7.174 7.579 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.545 8.304 5.325 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.159 7.625 5.271 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.744 8.799 7.391 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.118 9.445 7.497 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.175 10.160 4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.753 10.962 8.357 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.364 12.570 7.953 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.950 12.206 4.516 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.472 13.255 5.838 1.00 0.00 H new ATOM 968 N ARG A 64 -6.245 3.516 7.237 1.00 0.00 N ATOM 969 CA ARG A 64 -5.819 2.469 8.178 1.00 0.00 C ATOM 970 C ARG A 64 -6.286 1.106 7.636 1.00 0.00 C ATOM 971 O ARG A 64 -7.485 0.900 7.446 1.00 0.00 O ATOM 972 CB ARG A 64 -6.364 2.826 9.587 1.00 0.00 C ATOM 973 CG ARG A 64 -6.047 1.785 10.668 1.00 0.00 C ATOM 974 CD ARG A 64 -6.392 2.140 12.125 1.00 0.00 C ATOM 975 NE ARG A 64 -7.813 2.437 12.386 1.00 0.00 N ATOM 976 CZ ARG A 64 -8.307 2.762 13.580 1.00 0.00 C ATOM 977 NH1 ARG A 64 -7.561 2.756 14.666 1.00 0.00 N ATOM 978 NH2 ARG A 64 -9.565 3.112 13.720 1.00 0.00 N ATOM 0 H ARG A 64 -7.126 3.287 6.777 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.735 2.404 8.275 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.949 3.787 9.892 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.445 2.951 9.525 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.574 0.865 10.413 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.980 1.565 10.620 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.089 1.311 12.764 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.798 3.005 12.421 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.461 2.390 11.600 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.576 2.498 14.607 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.968 3.010 15.566 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.181 3.138 12.907 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.926 3.358 14.642 1.00 0.00 H new ATOM 992 N TYR A 65 -5.344 0.202 7.349 1.00 0.00 N ATOM 993 CA TYR A 65 -5.556 -1.105 6.692 1.00 0.00 C ATOM 994 C TYR A 65 -4.670 -2.188 7.335 1.00 0.00 C ATOM 995 O TYR A 65 -3.441 -2.161 7.243 1.00 0.00 O ATOM 996 CB TYR A 65 -5.325 -0.994 5.171 1.00 0.00 C ATOM 997 CG TYR A 65 -3.979 -0.417 4.751 1.00 0.00 C ATOM 998 CD1 TYR A 65 -3.838 0.977 4.618 1.00 0.00 C ATOM 999 CD2 TYR A 65 -2.864 -1.252 4.524 1.00 0.00 C ATOM 1000 CE1 TYR A 65 -2.591 1.533 4.290 1.00 0.00 C ATOM 1001 CE2 TYR A 65 -1.601 -0.699 4.235 1.00 0.00 C ATOM 1002 CZ TYR A 65 -1.463 0.704 4.114 1.00 0.00 C ATOM 1003 OH TYR A 65 -0.254 1.267 3.833 1.00 0.00 O ATOM 0 H TYR A 65 -4.363 0.363 7.577 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.593 -1.407 6.840 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.428 -1.987 4.732 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.115 -0.374 4.746 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.692 1.621 4.769 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.980 -2.325 4.572 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.495 2.602 4.172 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.743 -1.342 4.107 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.206 2.158 4.238 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.300 -3.126 8.042 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.638 -4.092 8.917 1.00 0.00 C ATOM 1015 C GLY A 66 -4.925 -5.543 8.569 1.00 0.00 C ATOM 1016 O GLY A 66 -5.848 -5.865 7.820 1.00 0.00 O ATOM 0 H GLY A 66 -6.314 -3.237 8.021 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.562 -3.926 8.875 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.949 -3.908 9.945 1.00 0.00 H new ATOM 1020 N TYR A 67 -4.145 -6.422 9.190 1.00 0.00 N ATOM 1021 CA TYR A 67 -4.160 -7.862 8.945 1.00 0.00 C ATOM 1022 C TYR A 67 -4.050 -8.688 10.246 1.00 0.00 C ATOM 1023 O TYR A 67 -3.609 -8.199 11.292 1.00 0.00 O ATOM 1024 CB TYR A 67 -3.023 -8.200 7.962 1.00 0.00 C ATOM 1025 CG TYR A 67 -1.667 -8.364 8.627 1.00 0.00 C ATOM 1026 CD1 TYR A 67 -0.876 -7.241 8.930 1.00 0.00 C ATOM 1027 CD2 TYR A 67 -1.217 -9.649 8.993 1.00 0.00 C ATOM 1028 CE1 TYR A 67 0.381 -7.404 9.537 1.00 0.00 C ATOM 1029 CE2 TYR A 67 0.021 -9.816 9.639 1.00 0.00 C ATOM 1030 CZ TYR A 67 0.833 -8.690 9.904 1.00 0.00 C ATOM 1031 OH TYR A 67 2.034 -8.838 10.530 1.00 0.00 O ATOM 0 H TYR A 67 -3.465 -6.145 9.898 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.121 -8.134 8.509 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.273 -9.121 7.435 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.957 -7.411 7.212 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.236 -6.250 8.695 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.828 -10.512 8.775 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.004 -6.542 9.724 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.350 -10.802 9.932 1.00 0.00 H new ATOM 0 HH TYR A 67 2.193 -9.788 10.713 1.00 0.00 H new ATOM 1041 N ASP A 68 -4.403 -9.969 10.148 1.00 0.00 N ATOM 1042 CA ASP A 68 -4.212 -11.017 11.154 1.00 0.00 C ATOM 1043 C ASP A 68 -4.004 -12.381 10.448 1.00 0.00 C ATOM 1044 O ASP A 68 -3.832 -12.431 9.229 1.00 0.00 O ATOM 1045 CB ASP A 68 -5.405 -11.006 12.131 1.00 0.00 C ATOM 1046 CG ASP A 68 -5.009 -11.509 13.528 1.00 0.00 C ATOM 1047 OD1 ASP A 68 -4.957 -12.746 13.723 1.00 0.00 O ATOM 1048 OD2 ASP A 68 -4.746 -10.667 14.417 1.00 0.00 O ATOM 0 H ASP A 68 -4.860 -10.327 9.310 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.316 -10.833 11.746 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.801 -9.993 12.209 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.205 -11.631 11.734 1.00 0.00 H new ATOM 1053 N SER A 69 -4.013 -13.500 11.175 1.00 0.00 N ATOM 1054 CA SER A 69 -3.675 -14.831 10.632 1.00 0.00 C ATOM 1055 C SER A 69 -4.694 -15.399 9.619 1.00 0.00 C ATOM 1056 O SER A 69 -4.376 -16.341 8.889 1.00 0.00 O ATOM 1057 CB SER A 69 -3.483 -15.832 11.782 1.00 0.00 C ATOM 1058 OG SER A 69 -2.451 -15.412 12.669 1.00 0.00 O ATOM 0 H SER A 69 -4.256 -13.515 12.166 1.00 0.00 H new ATOM 0 HA SER A 69 -2.750 -14.688 10.074 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.417 -15.939 12.333 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.238 -16.813 11.375 1.00 0.00 H new ATOM 0 HG SER A 69 -2.353 -16.068 13.391 1.00 0.00 H new ATOM 1064 N ASN A 70 -5.902 -14.824 9.545 1.00 0.00 N ATOM 1065 CA ASN A 70 -6.981 -15.215 8.619 1.00 0.00 C ATOM 1066 C ASN A 70 -8.006 -14.091 8.331 1.00 0.00 C ATOM 1067 O ASN A 70 -9.075 -14.354 7.773 1.00 0.00 O ATOM 1068 CB ASN A 70 -7.677 -16.494 9.133 1.00 0.00 C ATOM 1069 CG ASN A 70 -8.582 -16.277 10.349 1.00 0.00 C ATOM 1070 OD1 ASN A 70 -8.444 -15.330 11.114 1.00 0.00 O ATOM 1071 ND2 ASN A 70 -9.549 -17.155 10.558 1.00 0.00 N ATOM 0 H ASN A 70 -6.167 -14.046 10.149 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.508 -15.417 7.658 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.271 -16.919 8.324 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.915 -17.230 9.389 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.177 -17.042 11.354 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.667 -17.945 9.923 1.00 0.00 H new ATOM 1078 N LEU A 71 -7.708 -12.846 8.726 1.00 0.00 N ATOM 1079 CA LEU A 71 -8.630 -11.711 8.754 1.00 0.00 C ATOM 1080 C LEU A 71 -7.938 -10.457 8.203 1.00 0.00 C ATOM 1081 O LEU A 71 -6.832 -10.117 8.622 1.00 0.00 O ATOM 1082 CB LEU A 71 -9.086 -11.549 10.225 1.00 0.00 C ATOM 1083 CG LEU A 71 -10.366 -10.744 10.521 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -10.191 -9.229 10.370 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -11.533 -11.248 9.671 1.00 0.00 C ATOM 0 H LEU A 71 -6.774 -12.595 9.049 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.502 -11.873 8.120 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.221 -12.548 10.641 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.268 -11.083 10.775 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.592 -10.914 11.574 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.134 -8.730 10.594 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.423 -8.881 11.060 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.892 -8.997 9.348 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.426 -10.665 9.897 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.287 -11.140 8.615 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.719 -12.298 9.895 1.00 0.00 H new ATOM 1097 N PHE A 72 -8.596 -9.780 7.263 1.00 0.00 N ATOM 1098 CA PHE A 72 -8.175 -8.515 6.664 1.00 0.00 C ATOM 1099 C PHE A 72 -9.284 -7.470 6.856 1.00 0.00 C ATOM 1100 O PHE A 72 -10.461 -7.763 6.663 1.00 0.00 O ATOM 1101 CB PHE A 72 -7.864 -8.751 5.177 1.00 0.00 C ATOM 1102 CG PHE A 72 -7.591 -7.473 4.411 1.00 0.00 C ATOM 1103 CD1 PHE A 72 -6.451 -6.702 4.708 1.00 0.00 C ATOM 1104 CD2 PHE A 72 -8.518 -7.016 3.454 1.00 0.00 C ATOM 1105 CE1 PHE A 72 -6.268 -5.450 4.094 1.00 0.00 C ATOM 1106 CE2 PHE A 72 -8.318 -5.776 2.824 1.00 0.00 C ATOM 1107 CZ PHE A 72 -7.211 -4.982 3.164 1.00 0.00 C ATOM 0 H PHE A 72 -9.480 -10.115 6.880 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.274 -8.137 7.146 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.998 -9.408 5.094 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -8.704 -9.271 4.715 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.716 -7.072 5.408 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.380 -7.617 3.205 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.404 -4.849 4.337 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.018 -5.433 2.076 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.084 -4.010 2.710 1.00 0.00 H new ATOM 1117 N SER A 73 -8.932 -6.250 7.242 1.00 0.00 N ATOM 1118 CA SER A 73 -9.882 -5.182 7.567 1.00 0.00 C ATOM 1119 C SER A 73 -9.290 -3.788 7.336 1.00 0.00 C ATOM 1120 O SER A 73 -8.069 -3.595 7.370 1.00 0.00 O ATOM 1121 CB SER A 73 -10.335 -5.332 9.022 1.00 0.00 C ATOM 1122 OG SER A 73 -11.402 -4.447 9.305 1.00 0.00 O ATOM 0 H SER A 73 -7.958 -5.965 7.341 1.00 0.00 H new ATOM 0 HA SER A 73 -10.737 -5.279 6.898 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.649 -6.359 9.207 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.499 -5.129 9.692 1.00 0.00 H new ATOM 0 HG SER A 73 -11.991 -4.385 8.524 1.00 0.00 H new ATOM 1128 N PHE A 74 -10.159 -2.800 7.111 1.00 0.00 N ATOM 1129 CA PHE A 74 -9.779 -1.437 6.750 1.00 0.00 C ATOM 1130 C PHE A 74 -10.851 -0.403 7.131 1.00 0.00 C ATOM 1131 O PHE A 74 -12.042 -0.705 7.225 1.00 0.00 O ATOM 1132 CB PHE A 74 -9.426 -1.387 5.253 1.00 0.00 C ATOM 1133 CG PHE A 74 -10.513 -1.897 4.321 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -11.576 -1.052 3.950 1.00 0.00 C ATOM 1135 CD2 PHE A 74 -10.473 -3.221 3.833 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -12.591 -1.531 3.108 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -11.480 -3.695 2.970 1.00 0.00 C ATOM 1138 CZ PHE A 74 -12.542 -2.847 2.619 1.00 0.00 C ATOM 0 H PHE A 74 -11.168 -2.931 7.177 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.897 -1.161 7.328 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.191 -0.357 4.984 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.522 -1.973 5.088 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.610 -0.036 4.313 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.664 -3.875 4.124 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.413 -0.886 2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.435 -4.702 2.582 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.326 -3.208 1.970 1.00 0.00 H new ATOM 1148 N GLU A 75 -10.393 0.835 7.327 1.00 0.00 N ATOM 1149 CA GLU A 75 -11.204 2.040 7.524 1.00 0.00 C ATOM 1150 C GLU A 75 -11.473 2.735 6.186 1.00 0.00 C ATOM 1151 O GLU A 75 -10.645 2.699 5.277 1.00 0.00 O ATOM 1152 CB GLU A 75 -10.429 3.036 8.401 1.00 0.00 C ATOM 1153 CG GLU A 75 -10.514 2.735 9.895 1.00 0.00 C ATOM 1154 CD GLU A 75 -11.645 3.490 10.609 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -12.704 3.771 10.004 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -11.440 3.821 11.800 1.00 0.00 O ATOM 0 H GLU A 75 -9.393 1.035 7.354 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.143 1.742 7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.382 3.034 8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.812 4.040 8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.659 1.664 10.034 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.564 2.992 10.364 1.00 0.00 H new ATOM 1163 N SER A 76 -12.591 3.449 6.100 1.00 0.00 N ATOM 1164 CA SER A 76 -12.953 4.291 4.950 1.00 0.00 C ATOM 1165 C SER A 76 -13.629 5.606 5.384 1.00 0.00 C ATOM 1166 O SER A 76 -14.231 5.691 6.460 1.00 0.00 O ATOM 1167 CB SER A 76 -13.803 3.504 3.935 1.00 0.00 C ATOM 1168 OG SER A 76 -15.049 3.063 4.457 1.00 0.00 O ATOM 0 H SER A 76 -13.291 3.463 6.842 1.00 0.00 H new ATOM 0 HA SER A 76 -12.029 4.577 4.448 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.986 4.132 3.063 1.00 0.00 H new ATOM 0 HB3 SER A 76 -13.236 2.639 3.592 1.00 0.00 H new ATOM 0 HG SER A 76 -15.678 3.814 4.482 1.00 0.00 H new ATOM 1174 N GLY A 77 -13.485 6.658 4.564 1.00 0.00 N ATOM 1175 CA GLY A 77 -13.898 8.037 4.877 1.00 0.00 C ATOM 1176 C GLY A 77 -15.218 8.461 4.231 1.00 0.00 C ATOM 1177 O GLY A 77 -15.657 7.877 3.241 1.00 0.00 O ATOM 0 H GLY A 77 -13.066 6.572 3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.987 8.141 5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.113 8.721 4.554 1.00 0.00 H new ATOM 1181 N ARG A 78 -15.828 9.535 4.752 1.00 0.00 N ATOM 1182 CA ARG A 78 -17.155 10.041 4.336 1.00 0.00 C ATOM 1183 C ARG A 78 -17.311 10.376 2.839 1.00 0.00 C ATOM 1184 O ARG A 78 -18.436 10.405 2.337 1.00 0.00 O ATOM 1185 CB ARG A 78 -17.569 11.230 5.211 1.00 0.00 C ATOM 1186 CG ARG A 78 -16.723 12.495 5.024 1.00 0.00 C ATOM 1187 CD ARG A 78 -17.232 13.526 6.031 1.00 0.00 C ATOM 1188 NE ARG A 78 -16.505 14.803 5.930 1.00 0.00 N ATOM 1189 CZ ARG A 78 -15.345 15.114 6.502 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -14.675 14.261 7.250 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -14.835 16.314 6.326 1.00 0.00 N ATOM 0 H ARG A 78 -15.406 10.094 5.494 1.00 0.00 H new ATOM 0 HA ARG A 78 -17.833 9.201 4.490 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -18.610 11.473 5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -17.518 10.928 6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -15.667 12.281 5.191 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -16.814 12.873 4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -18.295 13.700 5.865 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -17.128 13.129 7.041 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.939 15.528 5.359 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.043 13.323 7.408 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.788 14.539 7.671 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.329 16.999 5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.946 16.559 6.762 1.00 0.00 H new ATOM 1205 N ARG A 79 -16.201 10.601 2.122 1.00 0.00 N ATOM 1206 CA ARG A 79 -16.182 10.958 0.693 1.00 0.00 C ATOM 1207 C ARG A 79 -16.299 9.778 -0.285 1.00 0.00 C ATOM 1208 O ARG A 79 -16.543 9.997 -1.474 1.00 0.00 O ATOM 1209 CB ARG A 79 -14.928 11.785 0.386 1.00 0.00 C ATOM 1210 CG ARG A 79 -13.589 11.060 0.615 1.00 0.00 C ATOM 1211 CD ARG A 79 -12.431 11.776 -0.093 1.00 0.00 C ATOM 1212 NE ARG A 79 -12.234 13.157 0.390 1.00 0.00 N ATOM 1213 CZ ARG A 79 -11.652 14.150 -0.277 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -11.148 13.986 -1.484 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -11.567 15.344 0.269 1.00 0.00 N ATOM 0 H ARG A 79 -15.267 10.539 2.528 1.00 0.00 H new ATOM 0 HA ARG A 79 -17.087 11.542 0.527 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.973 12.110 -0.653 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.946 12.684 1.002 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.383 11.003 1.684 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.662 10.036 0.250 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.513 11.209 0.057 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.623 11.795 -1.166 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.578 13.371 1.326 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.197 13.074 -1.937 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.709 14.771 -1.964 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.947 15.507 1.202 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.121 16.107 -0.240 1.00 0.00 H new ATOM 1229 N CYS A 80 -16.092 8.543 0.181 1.00 0.00 N ATOM 1230 CA CYS A 80 -16.061 7.350 -0.685 1.00 0.00 C ATOM 1231 C CYS A 80 -17.468 6.766 -0.955 1.00 0.00 C ATOM 1232 O CYS A 80 -18.474 7.311 -0.495 1.00 0.00 O ATOM 1233 CB CYS A 80 -15.044 6.336 -0.124 1.00 0.00 C ATOM 1234 SG CYS A 80 -15.739 5.393 1.261 1.00 0.00 S ATOM 0 H CYS A 80 -15.941 8.337 1.168 1.00 0.00 H new ATOM 0 HA CYS A 80 -15.715 7.639 -1.677 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.738 5.651 -0.915 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -14.148 6.862 0.206 1.00 0.00 H new ATOM 0 HG CYS A 80 -15.844 6.165 2.302 1.00 0.00 H new ATOM 1240 N GLN A 81 -17.538 5.658 -1.704 1.00 0.00 N ATOM 1241 CA GLN A 81 -18.786 4.968 -2.076 1.00 0.00 C ATOM 1242 C GLN A 81 -19.620 4.574 -0.846 1.00 0.00 C ATOM 1243 O GLN A 81 -20.826 4.835 -0.804 1.00 0.00 O ATOM 1244 CB GLN A 81 -18.430 3.710 -2.900 1.00 0.00 C ATOM 1245 CG GLN A 81 -19.660 2.856 -3.287 1.00 0.00 C ATOM 1246 CD GLN A 81 -19.304 1.567 -4.040 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -18.207 1.393 -4.557 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -20.205 0.609 -4.135 1.00 0.00 N ATOM 0 H GLN A 81 -16.707 5.202 -2.080 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.394 5.653 -2.667 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.910 4.016 -3.808 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -17.736 3.095 -2.327 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.211 2.598 -2.383 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.327 3.456 -3.906 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.125 0.731 -3.713 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -19.982 -0.254 -4.631 1.00 0.00 H new ATOM 1257 N THR A 82 -18.979 3.924 0.134 1.00 0.00 N ATOM 1258 CA THR A 82 -19.619 3.370 1.336 1.00 0.00 C ATOM 1259 C THR A 82 -19.712 4.379 2.480 1.00 0.00 C ATOM 1260 O THR A 82 -20.568 4.242 3.354 1.00 0.00 O ATOM 1261 CB THR A 82 -18.854 2.127 1.796 1.00 0.00 C ATOM 1262 OG1 THR A 82 -17.498 2.456 2.006 1.00 0.00 O ATOM 1263 CG2 THR A 82 -18.917 1.012 0.751 1.00 0.00 C ATOM 0 H THR A 82 -17.972 3.764 0.113 1.00 0.00 H new ATOM 0 HA THR A 82 -20.642 3.107 1.065 1.00 0.00 H new ATOM 0 HB THR A 82 -19.318 1.778 2.718 1.00 0.00 H new ATOM 0 HG1 THR A 82 -17.371 2.744 2.934 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.363 0.145 1.111 1.00 0.00 H new ATOM 0 HG22 THR A 82 -19.957 0.733 0.579 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.476 1.363 -0.182 1.00 0.00 H new ATOM 1271 N GLY A 83 -18.840 5.390 2.463 1.00 0.00 N ATOM 1272 CA GLY A 83 -18.709 6.426 3.486 1.00 0.00 C ATOM 1273 C GLY A 83 -17.886 5.952 4.686 1.00 0.00 C ATOM 1274 O GLY A 83 -17.038 5.064 4.574 1.00 0.00 O ATOM 0 H GLY A 83 -18.176 5.513 1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -18.238 7.307 3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -19.700 6.728 3.824 1.00 0.00 H new ATOM 1278 N GLN A 84 -18.138 6.571 5.840 1.00 0.00 N ATOM 1279 CA GLN A 84 -17.564 6.179 7.133 1.00 0.00 C ATOM 1280 C GLN A 84 -17.935 4.736 7.511 1.00 0.00 C ATOM 1281 O GLN A 84 -19.115 4.369 7.510 1.00 0.00 O ATOM 1282 CB GLN A 84 -18.055 7.122 8.246 1.00 0.00 C ATOM 1283 CG GLN A 84 -17.539 8.558 8.086 1.00 0.00 C ATOM 1284 CD GLN A 84 -18.018 9.492 9.199 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -19.170 9.485 9.618 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -17.163 10.352 9.709 1.00 0.00 N ATOM 0 H GLN A 84 -18.760 7.377 5.906 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.481 6.246 7.033 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -19.145 7.132 8.252 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -17.735 6.732 9.212 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -16.449 8.547 8.072 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -17.866 8.951 7.123 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -16.200 10.373 9.374 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -17.463 10.997 10.440 1.00 0.00 H new ATOM 1295 N GLY A 85 -16.934 3.936 7.896 1.00 0.00 N ATOM 1296 CA GLY A 85 -17.120 2.587 8.431 1.00 0.00 C ATOM 1297 C GLY A 85 -15.849 1.742 8.411 1.00 0.00 C ATOM 1298 O GLY A 85 -14.880 2.055 7.717 1.00 0.00 O ATOM 0 H GLY A 85 -15.955 4.216 7.842 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.483 2.658 9.456 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.893 2.080 7.854 1.00 0.00 H new ATOM 1302 N ILE A 86 -15.877 0.644 9.169 1.00 0.00 N ATOM 1303 CA ILE A 86 -14.862 -0.417 9.141 1.00 0.00 C ATOM 1304 C ILE A 86 -15.507 -1.692 8.594 1.00 0.00 C ATOM 1305 O ILE A 86 -16.602 -2.066 9.028 1.00 0.00 O ATOM 1306 CB ILE A 86 -14.273 -0.628 10.554 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -13.548 0.651 11.020 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -13.303 -1.825 10.586 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -13.244 0.662 12.517 1.00 0.00 C ATOM 0 H ILE A 86 -16.625 0.461 9.838 1.00 0.00 H new ATOM 0 HA ILE A 86 -14.034 -0.137 8.489 1.00 0.00 H new ATOM 0 HB ILE A 86 -15.098 -0.845 11.233 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.615 0.754 10.466 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -14.161 1.518 10.775 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -12.907 -1.945 11.594 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.834 -2.731 10.294 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.481 -1.646 9.892 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.734 1.589 12.778 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.176 0.590 13.078 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.605 -0.186 12.765 1.00 0.00 H new ATOM 1321 N PHE A 87 -14.816 -2.358 7.666 1.00 0.00 N ATOM 1322 CA PHE A 87 -15.289 -3.552 6.965 1.00 0.00 C ATOM 1323 C PHE A 87 -14.217 -4.651 7.020 1.00 0.00 C ATOM 1324 O PHE A 87 -13.071 -4.421 6.628 1.00 0.00 O ATOM 1325 CB PHE A 87 -15.642 -3.178 5.515 1.00 0.00 C ATOM 1326 CG PHE A 87 -16.672 -2.071 5.378 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -18.010 -2.308 5.743 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.296 -0.801 4.899 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.973 -1.291 5.617 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.257 0.218 4.780 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.595 -0.025 5.135 1.00 0.00 C ATOM 0 H PHE A 87 -13.882 -2.071 7.373 1.00 0.00 H new ATOM 0 HA PHE A 87 -16.185 -3.941 7.449 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.731 -2.873 5.001 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -16.014 -4.067 5.005 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -18.299 -3.277 6.122 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.269 -0.610 4.623 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -20.000 -1.482 5.890 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.966 1.192 4.414 1.00 0.00 H new ATOM 0 HZ PHE A 87 -19.331 0.759 5.038 1.00 0.00 H new ATOM 1341 N ALA A 88 -14.597 -5.840 7.503 1.00 0.00 N ATOM 1342 CA ALA A 88 -13.686 -6.955 7.782 1.00 0.00 C ATOM 1343 C ALA A 88 -14.048 -8.226 7.002 1.00 0.00 C ATOM 1344 O ALA A 88 -15.224 -8.571 6.825 1.00 0.00 O ATOM 1345 CB ALA A 88 -13.674 -7.210 9.292 1.00 0.00 C ATOM 0 H ALA A 88 -15.570 -6.058 7.716 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.687 -6.679 7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.000 -8.037 9.516 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.332 -6.314 9.810 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.681 -7.461 9.627 1.00 0.00 H new ATOM 1351 N PHE A 89 -13.011 -8.933 6.548 1.00 0.00 N ATOM 1352 CA PHE A 89 -13.133 -10.040 5.608 1.00 0.00 C ATOM 1353 C PHE A 89 -12.181 -11.183 5.949 1.00 0.00 C ATOM 1354 O PHE A 89 -10.970 -11.002 6.084 1.00 0.00 O ATOM 1355 CB PHE A 89 -12.873 -9.550 4.168 1.00 0.00 C ATOM 1356 CG PHE A 89 -13.690 -8.356 3.703 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -13.309 -7.052 4.076 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -14.819 -8.539 2.883 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -14.075 -5.948 3.673 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -15.577 -7.429 2.467 1.00 0.00 C ATOM 1361 CZ PHE A 89 -15.210 -6.133 2.870 1.00 0.00 C ATOM 0 H PHE A 89 -12.049 -8.746 6.830 1.00 0.00 H new ATOM 0 HA PHE A 89 -14.151 -10.421 5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.817 -9.297 4.079 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -13.061 -10.379 3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -12.423 -6.902 4.675 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -15.104 -9.533 2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -13.790 -4.953 3.982 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -16.442 -7.573 1.837 1.00 0.00 H new ATOM 0 HZ PHE A 89 -15.800 -5.283 2.562 1.00 0.00 H new ATOM 1371 N LYS A 90 -12.741 -12.386 6.047 1.00 0.00 N ATOM 1372 CA LYS A 90 -11.973 -13.623 6.135 1.00 0.00 C ATOM 1373 C LYS A 90 -11.197 -13.866 4.830 1.00 0.00 C ATOM 1374 O LYS A 90 -11.751 -13.717 3.737 1.00 0.00 O ATOM 1375 CB LYS A 90 -12.930 -14.778 6.477 1.00 0.00 C ATOM 1376 CG LYS A 90 -12.976 -14.996 7.992 1.00 0.00 C ATOM 1377 CD LYS A 90 -13.775 -16.268 8.328 1.00 0.00 C ATOM 1378 CE LYS A 90 -13.514 -16.778 9.754 1.00 0.00 C ATOM 1379 NZ LYS A 90 -14.019 -15.857 10.801 1.00 0.00 N ATOM 0 H LYS A 90 -13.751 -12.530 6.068 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.229 -13.553 6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.929 -14.554 6.104 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.602 -15.691 5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.963 -15.081 8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.434 -14.133 8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.839 -16.065 8.209 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.519 -17.051 7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.986 -17.753 9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.442 -16.923 9.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.726 -16.202 11.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.629 -14.906 10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.057 -15.817 10.756 1.00 0.00 H new ATOM 1393 N CYS A 91 -9.912 -14.216 4.950 1.00 0.00 N ATOM 1394 CA CYS A 91 -8.960 -14.334 3.842 1.00 0.00 C ATOM 1395 C CYS A 91 -7.736 -15.172 4.236 1.00 0.00 C ATOM 1396 O CYS A 91 -7.115 -14.927 5.269 1.00 0.00 O ATOM 1397 CB CYS A 91 -8.533 -12.918 3.420 1.00 0.00 C ATOM 1398 SG CYS A 91 -7.491 -13.035 1.936 1.00 0.00 S ATOM 0 H CYS A 91 -9.492 -14.432 5.854 1.00 0.00 H new ATOM 0 HA CYS A 91 -9.440 -14.848 3.009 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -9.411 -12.304 3.217 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -7.985 -12.433 4.228 1.00 0.00 H new ATOM 0 HG CYS A 91 -6.320 -12.529 2.187 1.00 0.00 H new ATOM 1404 N SER A 92 -7.348 -16.123 3.391 1.00 0.00 N ATOM 1405 CA SER A 92 -6.172 -16.987 3.596 1.00 0.00 C ATOM 1406 C SER A 92 -4.823 -16.246 3.492 1.00 0.00 C ATOM 1407 O SER A 92 -3.795 -16.778 3.919 1.00 0.00 O ATOM 1408 CB SER A 92 -6.198 -18.121 2.558 1.00 0.00 C ATOM 1409 OG SER A 92 -7.439 -18.814 2.590 1.00 0.00 O ATOM 0 H SER A 92 -7.847 -16.325 2.525 1.00 0.00 H new ATOM 0 HA SER A 92 -6.241 -17.367 4.615 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.032 -17.711 1.562 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.383 -18.818 2.755 1.00 0.00 H new ATOM 0 HG SER A 92 -7.432 -19.529 1.920 1.00 0.00 H new ATOM 1415 N ARG A 93 -4.824 -15.027 2.927 1.00 0.00 N ATOM 1416 CA ARG A 93 -3.635 -14.251 2.540 1.00 0.00 C ATOM 1417 C ARG A 93 -3.705 -12.777 2.991 1.00 0.00 C ATOM 1418 O ARG A 93 -3.263 -11.862 2.294 1.00 0.00 O ATOM 1419 CB ARG A 93 -3.435 -14.415 1.022 1.00 0.00 C ATOM 1420 CG ARG A 93 -2.864 -15.798 0.682 1.00 0.00 C ATOM 1421 CD ARG A 93 -2.838 -16.044 -0.826 1.00 0.00 C ATOM 1422 NE ARG A 93 -1.826 -15.248 -1.544 1.00 0.00 N ATOM 1423 CZ ARG A 93 -0.536 -15.545 -1.670 1.00 0.00 C ATOM 1424 NH1 ARG A 93 0.005 -16.594 -1.083 1.00 0.00 N ATOM 1425 NH2 ARG A 93 0.242 -14.776 -2.398 1.00 0.00 N ATOM 0 H ARG A 93 -5.692 -14.534 2.719 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.760 -14.640 3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.387 -14.276 0.510 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.761 -13.641 0.656 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.854 -15.883 1.082 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.464 -16.568 1.166 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.650 -17.102 -1.008 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.822 -15.819 -1.238 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.146 -14.387 -1.987 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.570 -17.210 -0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.999 -16.790 -1.203 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.144 -13.955 -2.864 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.232 -15.000 -2.497 1.00 0.00 H new ATOM 1439 N ALA A 94 -4.290 -12.525 4.165 1.00 0.00 N ATOM 1440 CA ALA A 94 -4.466 -11.184 4.731 1.00 0.00 C ATOM 1441 C ALA A 94 -3.159 -10.376 4.871 1.00 0.00 C ATOM 1442 O ALA A 94 -3.149 -9.186 4.561 1.00 0.00 O ATOM 1443 CB ALA A 94 -5.167 -11.344 6.083 1.00 0.00 C ATOM 0 H ALA A 94 -4.663 -13.263 4.762 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.068 -10.598 4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.315 -10.363 6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.134 -11.826 5.937 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.552 -11.958 6.741 1.00 0.00 H new ATOM 1449 N GLU A 95 -2.053 -11.006 5.286 1.00 0.00 N ATOM 1450 CA GLU A 95 -0.745 -10.349 5.397 1.00 0.00 C ATOM 1451 C GLU A 95 -0.149 -10.018 4.022 1.00 0.00 C ATOM 1452 O GLU A 95 0.415 -8.944 3.828 1.00 0.00 O ATOM 1453 CB GLU A 95 0.211 -11.240 6.199 1.00 0.00 C ATOM 1454 CG GLU A 95 1.523 -10.504 6.503 1.00 0.00 C ATOM 1455 CD GLU A 95 2.504 -11.306 7.381 1.00 0.00 C ATOM 1456 OE1 GLU A 95 2.087 -12.210 8.144 1.00 0.00 O ATOM 1457 OE2 GLU A 95 3.726 -11.032 7.302 1.00 0.00 O ATOM 0 H GLU A 95 -2.040 -11.990 5.555 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.886 -9.403 5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.265 -11.543 7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.422 -12.151 5.638 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.014 -10.255 5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.292 -9.562 7.001 1.00 0.00 H new ATOM 1464 N GLU A 96 -0.301 -10.911 3.048 1.00 0.00 N ATOM 1465 CA GLU A 96 0.111 -10.696 1.662 1.00 0.00 C ATOM 1466 C GLU A 96 -0.648 -9.513 1.041 1.00 0.00 C ATOM 1467 O GLU A 96 -0.031 -8.695 0.363 1.00 0.00 O ATOM 1468 CB GLU A 96 -0.108 -11.969 0.827 1.00 0.00 C ATOM 1469 CG GLU A 96 0.851 -13.129 1.151 1.00 0.00 C ATOM 1470 CD GLU A 96 0.727 -13.715 2.571 1.00 0.00 C ATOM 1471 OE1 GLU A 96 -0.379 -13.691 3.162 1.00 0.00 O ATOM 1472 OE2 GLU A 96 1.750 -14.213 3.097 1.00 0.00 O ATOM 0 H GLU A 96 -0.724 -11.826 3.203 1.00 0.00 H new ATOM 0 HA GLU A 96 1.175 -10.459 1.661 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.132 -12.311 0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.006 -11.716 -0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.682 -13.929 0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.874 -12.782 1.008 1.00 0.00 H new ATOM 1479 N ILE A 97 -1.950 -9.357 1.323 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.715 -8.156 0.930 1.00 0.00 C ATOM 1481 C ILE A 97 -2.141 -6.906 1.604 1.00 0.00 C ATOM 1482 O ILE A 97 -1.883 -5.916 0.920 1.00 0.00 O ATOM 1483 CB ILE A 97 -4.223 -8.316 1.243 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -4.849 -9.446 0.400 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -4.972 -6.994 0.971 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -6.199 -9.919 0.948 1.00 0.00 C ATOM 0 H ILE A 97 -2.502 -10.052 1.826 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.618 -8.037 -0.149 1.00 0.00 H new ATOM 0 HB ILE A 97 -4.317 -8.575 2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -4.980 -9.098 -0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.161 -10.290 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.031 -7.123 1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.560 -6.206 1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.855 -6.718 -0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.591 -10.714 0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.068 -10.295 1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.900 -9.085 0.958 1.00 0.00 H new ATOM 1498 N PHE A 98 -1.895 -6.955 2.918 1.00 0.00 N ATOM 1499 CA PHE A 98 -1.309 -5.854 3.688 1.00 0.00 C ATOM 1500 C PHE A 98 0.075 -5.425 3.145 1.00 0.00 C ATOM 1501 O PHE A 98 0.382 -4.230 3.097 1.00 0.00 O ATOM 1502 CB PHE A 98 -1.286 -6.280 5.160 1.00 0.00 C ATOM 1503 CG PHE A 98 -0.188 -5.681 6.007 1.00 0.00 C ATOM 1504 CD1 PHE A 98 -0.384 -4.458 6.672 1.00 0.00 C ATOM 1505 CD2 PHE A 98 1.020 -6.386 6.168 1.00 0.00 C ATOM 1506 CE1 PHE A 98 0.619 -3.957 7.519 1.00 0.00 C ATOM 1507 CE2 PHE A 98 2.023 -5.881 7.008 1.00 0.00 C ATOM 1508 CZ PHE A 98 1.819 -4.672 7.690 1.00 0.00 C ATOM 0 H PHE A 98 -2.102 -7.777 3.486 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.918 -4.956 3.587 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.245 -6.020 5.608 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.198 -7.366 5.202 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -1.302 -3.906 6.532 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.174 -7.317 5.644 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.469 -3.023 8.039 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.950 -6.421 7.130 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.585 -4.289 8.348 1.00 0.00 H new ATOM 1518 N ASN A 99 0.890 -6.382 2.685 1.00 0.00 N ATOM 1519 CA ASN A 99 2.209 -6.147 2.088 1.00 0.00 C ATOM 1520 C ASN A 99 2.151 -5.694 0.617 1.00 0.00 C ATOM 1521 O ASN A 99 3.040 -4.957 0.183 1.00 0.00 O ATOM 1522 CB ASN A 99 3.068 -7.418 2.209 1.00 0.00 C ATOM 1523 CG ASN A 99 3.608 -7.665 3.617 1.00 0.00 C ATOM 1524 OD1 ASN A 99 3.935 -6.747 4.361 1.00 0.00 O ATOM 1525 ND2 ASN A 99 3.764 -8.917 4.006 1.00 0.00 N ATOM 0 H ASN A 99 0.642 -7.371 2.719 1.00 0.00 H new ATOM 0 HA ASN A 99 2.659 -5.325 2.645 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.473 -8.278 1.902 1.00 0.00 H new ATOM 0 HB3 ASN A 99 3.906 -7.346 1.516 1.00 0.00 H new ATOM 0 HD21 ASN A 99 4.156 -9.120 4.925 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.492 -9.681 3.387 1.00 0.00 H new ATOM 1532 N LEU A 100 1.124 -6.081 -0.151 1.00 0.00 N ATOM 1533 CA LEU A 100 0.950 -5.650 -1.542 1.00 0.00 C ATOM 1534 C LEU A 100 0.334 -4.243 -1.588 1.00 0.00 C ATOM 1535 O LEU A 100 0.823 -3.396 -2.329 1.00 0.00 O ATOM 1536 CB LEU A 100 0.135 -6.720 -2.302 1.00 0.00 C ATOM 1537 CG LEU A 100 0.433 -6.838 -3.813 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.360 -8.017 -4.397 1.00 0.00 C ATOM 1539 CD2 LEU A 100 0.127 -5.571 -4.620 1.00 0.00 C ATOM 0 H LEU A 100 0.387 -6.705 0.178 1.00 0.00 H new ATOM 0 HA LEU A 100 1.912 -5.566 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.319 -7.689 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.925 -6.501 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 100 1.508 -6.998 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.152 -8.103 -5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.065 -8.938 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.426 -7.848 -4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.365 -5.742 -5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.930 -5.325 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.728 -4.744 -4.241 1.00 0.00 H new ATOM 1551 N LEU A 101 -0.652 -3.948 -0.731 1.00 0.00 N ATOM 1552 CA LEU A 101 -1.293 -2.630 -0.617 1.00 0.00 C ATOM 1553 C LEU A 101 -0.284 -1.492 -0.504 1.00 0.00 C ATOM 1554 O LEU A 101 -0.279 -0.587 -1.334 1.00 0.00 O ATOM 1555 CB LEU A 101 -2.241 -2.619 0.603 1.00 0.00 C ATOM 1556 CG LEU A 101 -3.659 -3.115 0.288 1.00 0.00 C ATOM 1557 CD1 LEU A 101 -4.474 -3.205 1.581 1.00 0.00 C ATOM 1558 CD2 LEU A 101 -4.390 -2.172 -0.677 1.00 0.00 C ATOM 0 H LEU A 101 -1.036 -4.635 -0.082 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.858 -2.463 -1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.814 -3.242 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.300 -1.604 0.997 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.564 -4.094 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.480 -3.557 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.992 -3.902 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.531 -2.220 2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -5.390 -2.558 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.465 -1.181 -0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.834 -2.107 -1.613 1.00 0.00 H new ATOM 1570 N GLN A 102 0.597 -1.563 0.490 1.00 0.00 N ATOM 1571 CA GLN A 102 1.599 -0.526 0.753 1.00 0.00 C ATOM 1572 C GLN A 102 2.597 -0.303 -0.402 1.00 0.00 C ATOM 1573 O GLN A 102 3.150 0.790 -0.514 1.00 0.00 O ATOM 1574 CB GLN A 102 2.311 -0.834 2.080 1.00 0.00 C ATOM 1575 CG GLN A 102 3.105 -2.150 2.088 1.00 0.00 C ATOM 1576 CD GLN A 102 3.615 -2.490 3.489 1.00 0.00 C ATOM 1577 OE1 GLN A 102 4.738 -2.182 3.870 1.00 0.00 O ATOM 1578 NE2 GLN A 102 2.800 -3.115 4.316 1.00 0.00 N ATOM 0 H GLN A 102 0.639 -2.346 1.142 1.00 0.00 H new ATOM 0 HA GLN A 102 1.069 0.423 0.834 1.00 0.00 H new ATOM 0 HB2 GLN A 102 2.990 -0.014 2.312 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.568 -0.868 2.877 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.473 -2.960 1.724 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.948 -2.071 1.402 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.863 -3.376 4.009 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.107 -3.338 5.263 1.00 0.00 H new ATOM 1587 N ASP A 103 2.784 -1.278 -1.300 1.00 0.00 N ATOM 1588 CA ASP A 103 3.621 -1.134 -2.504 1.00 0.00 C ATOM 1589 C ASP A 103 2.965 -0.245 -3.578 1.00 0.00 C ATOM 1590 O ASP A 103 3.658 0.380 -4.381 1.00 0.00 O ATOM 1591 CB ASP A 103 3.900 -2.519 -3.112 1.00 0.00 C ATOM 1592 CG ASP A 103 5.090 -2.492 -4.086 1.00 0.00 C ATOM 1593 OD1 ASP A 103 6.231 -2.228 -3.635 1.00 0.00 O ATOM 1594 OD2 ASP A 103 4.890 -2.770 -5.293 1.00 0.00 O ATOM 0 H ASP A 103 2.355 -2.199 -1.213 1.00 0.00 H new ATOM 0 HA ASP A 103 4.548 -0.654 -2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.102 -3.232 -2.312 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.011 -2.871 -3.635 1.00 0.00 H new ATOM 1599 N LEU A 104 1.628 -0.195 -3.580 1.00 0.00 N ATOM 1600 CA LEU A 104 0.801 0.561 -4.523 1.00 0.00 C ATOM 1601 C LEU A 104 0.382 1.911 -3.926 1.00 0.00 C ATOM 1602 O LEU A 104 0.459 2.943 -4.591 1.00 0.00 O ATOM 1603 CB LEU A 104 -0.421 -0.293 -4.923 1.00 0.00 C ATOM 1604 CG LEU A 104 -0.102 -1.737 -5.378 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -1.399 -2.449 -5.777 1.00 0.00 C ATOM 1606 CD2 LEU A 104 0.897 -1.796 -6.541 1.00 0.00 C ATOM 0 H LEU A 104 1.070 -0.703 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 104 1.380 0.781 -5.420 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.103 -0.340 -4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.950 0.215 -5.729 1.00 0.00 H new ATOM 0 HG LEU A 104 0.367 -2.239 -4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.172 -3.466 -6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.075 -2.480 -4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.874 -1.908 -6.596 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.078 -2.836 -6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.488 -1.263 -7.399 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.835 -1.331 -6.239 1.00 0.00 H new ATOM 1618 N MET A 105 0.006 1.925 -2.643 1.00 0.00 N ATOM 1619 CA MET A 105 -0.449 3.115 -1.913 1.00 0.00 C ATOM 1620 C MET A 105 0.639 4.184 -1.758 1.00 0.00 C ATOM 1621 O MET A 105 0.326 5.374 -1.743 1.00 0.00 O ATOM 1622 CB MET A 105 -0.985 2.689 -0.539 1.00 0.00 C ATOM 1623 CG MET A 105 -2.273 1.873 -0.690 1.00 0.00 C ATOM 1624 SD MET A 105 -3.033 1.320 0.851 1.00 0.00 S ATOM 1625 CE MET A 105 -3.677 2.899 1.449 1.00 0.00 C ATOM 0 H MET A 105 0.010 1.084 -2.066 1.00 0.00 H new ATOM 0 HA MET A 105 -1.241 3.577 -2.503 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.233 2.097 -0.017 1.00 0.00 H new ATOM 0 HB3 MET A 105 -1.177 3.571 0.072 1.00 0.00 H new ATOM 0 HG2 MET A 105 -3.000 2.473 -1.237 1.00 0.00 H new ATOM 0 HG3 MET A 105 -2.057 0.997 -1.302 1.00 0.00 H new ATOM 0 HE1 MET A 105 -4.318 2.727 2.314 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.847 3.545 1.735 1.00 0.00 H new ATOM 0 HE3 MET A 105 -4.255 3.379 0.659 1.00 0.00 H new ATOM 2271 N PHE B 2 -21.067 -5.508 6.420 1.00 0.00 N ATOM 2272 CA PHE B 2 -21.244 -5.301 7.861 1.00 0.00 C ATOM 2273 C PHE B 2 -20.353 -4.162 8.378 1.00 0.00 C ATOM 2274 O PHE B 2 -19.126 -4.267 8.351 1.00 0.00 O ATOM 2275 CB PHE B 2 -20.967 -6.615 8.599 1.00 0.00 C ATOM 2276 CG PHE B 2 -21.467 -6.632 10.031 1.00 0.00 C ATOM 2277 CD1 PHE B 2 -20.731 -6.010 11.057 1.00 0.00 C ATOM 2278 CD2 PHE B 2 -22.689 -7.262 10.336 1.00 0.00 C ATOM 2279 CE1 PHE B 2 -21.216 -6.013 12.377 1.00 0.00 C ATOM 2280 CE2 PHE B 2 -23.172 -7.270 11.656 1.00 0.00 C ATOM 2281 CZ PHE B 2 -22.437 -6.642 12.677 1.00 0.00 C ATOM 0 HA PHE B 2 -22.274 -5.001 8.053 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -21.434 -7.433 8.051 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -19.893 -6.802 8.597 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -19.791 -5.529 10.830 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -23.257 -7.741 9.552 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -20.650 -5.532 13.161 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -24.107 -7.758 11.886 1.00 0.00 H new ATOM 0 HZ PHE B 2 -22.810 -6.643 13.691 1.00 0.00 H new ATOM 2291 N ARG B 3 -20.980 -3.094 8.880 1.00 0.00 N ATOM 2292 CA ARG B 3 -20.307 -1.953 9.512 1.00 0.00 C ATOM 2293 C ARG B 3 -19.880 -2.300 10.947 1.00 0.00 C ATOM 2294 O ARG B 3 -20.723 -2.525 11.819 1.00 0.00 O ATOM 2295 CB ARG B 3 -21.192 -0.687 9.447 1.00 0.00 C ATOM 2296 CG ARG B 3 -22.659 -0.871 9.894 1.00 0.00 C ATOM 2297 CD ARG B 3 -23.445 0.449 9.919 1.00 0.00 C ATOM 2298 NE ARG B 3 -22.975 1.368 10.976 1.00 0.00 N ATOM 2299 CZ ARG B 3 -23.278 1.320 12.271 1.00 0.00 C ATOM 2300 NH1 ARG B 3 -24.051 0.384 12.781 1.00 0.00 N ATOM 2301 NH2 ARG B 3 -22.799 2.236 13.084 1.00 0.00 N ATOM 0 H ARG B 3 -21.995 -2.996 8.858 1.00 0.00 H new ATOM 0 HA ARG B 3 -19.397 -1.730 8.955 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -20.736 0.084 10.068 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -21.188 -0.315 8.422 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -23.154 -1.570 9.220 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -22.678 -1.318 10.888 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -23.356 0.940 8.950 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -24.503 0.235 10.072 1.00 0.00 H new ATOM 0 HE ARG B 3 -22.352 2.120 10.682 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -24.442 -0.340 12.178 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -24.259 0.383 13.780 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -22.199 2.977 12.721 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -23.027 2.205 14.078 1.00 0.00 H new ATOM 2315 N LEU B 4 -18.572 -2.356 11.204 1.00 0.00 N ATOM 2316 CA LEU B 4 -18.020 -2.639 12.536 1.00 0.00 C ATOM 2317 C LEU B 4 -17.970 -1.394 13.434 1.00 0.00 C ATOM 2318 O LEU B 4 -17.844 -0.261 12.965 1.00 0.00 O ATOM 2319 CB LEU B 4 -16.624 -3.270 12.403 1.00 0.00 C ATOM 2320 CG LEU B 4 -16.626 -4.739 11.960 1.00 0.00 C ATOM 2321 CD1 LEU B 4 -15.184 -5.158 11.665 1.00 0.00 C ATOM 2322 CD2 LEU B 4 -17.189 -5.674 13.033 1.00 0.00 C ATOM 0 H LEU B 4 -17.859 -2.206 10.491 1.00 0.00 H new ATOM 0 HA LEU B 4 -18.693 -3.345 13.022 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -16.044 -2.689 11.686 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -16.113 -3.194 13.363 1.00 0.00 H new ATOM 0 HG LEU B 4 -17.263 -4.819 11.079 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -15.166 -6.201 11.348 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -14.778 -4.531 10.872 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -14.580 -5.041 12.565 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -17.168 -6.701 12.668 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -16.584 -5.597 13.936 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -18.217 -5.391 13.259 1.00 0.00 H new ATOM 2334 N ARG B 5 -18.025 -1.651 14.745 1.00 0.00 N ATOM 2335 CA ARG B 5 -17.937 -0.654 15.826 1.00 0.00 C ATOM 2336 C ARG B 5 -16.490 -0.199 16.104 1.00 0.00 C ATOM 2337 O ARG B 5 -16.259 0.916 16.573 1.00 0.00 O ATOM 2338 CB ARG B 5 -18.571 -1.284 17.084 1.00 0.00 C ATOM 2339 CG ARG B 5 -18.615 -0.362 18.317 1.00 0.00 C ATOM 2340 CD ARG B 5 -19.174 -1.074 19.558 1.00 0.00 C ATOM 2341 NE ARG B 5 -20.591 -1.455 19.408 1.00 0.00 N ATOM 2342 CZ ARG B 5 -21.652 -0.685 19.634 1.00 0.00 C ATOM 2343 NH1 ARG B 5 -21.541 0.576 19.998 1.00 0.00 N ATOM 2344 NH2 ARG B 5 -22.861 -1.185 19.493 1.00 0.00 N ATOM 0 H ARG B 5 -18.137 -2.600 15.101 1.00 0.00 H new ATOM 0 HA ARG B 5 -18.471 0.248 15.527 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -19.588 -1.595 16.844 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -18.014 -2.185 17.342 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -17.610 0.002 18.532 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -19.229 0.510 18.094 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -18.581 -1.967 19.757 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -19.068 -0.421 20.425 1.00 0.00 H new ATOM 0 HE ARG B 5 -20.777 -2.409 19.099 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -20.618 0.994 20.116 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -22.378 1.135 20.162 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -22.981 -2.158 19.212 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -23.678 -0.599 19.665 1.00 0.00 H new ATOM 2358 N HIS B 6 -15.514 -1.054 15.796 1.00 0.00 N ATOM 2359 CA HIS B 6 -14.099 -0.933 16.173 1.00 0.00 C ATOM 2360 C HIS B 6 -13.190 -1.779 15.258 1.00 0.00 C ATOM 2361 O HIS B 6 -13.669 -2.623 14.495 1.00 0.00 O ATOM 2362 CB HIS B 6 -13.950 -1.315 17.662 1.00 0.00 C ATOM 2363 CG HIS B 6 -14.680 -2.574 18.066 1.00 0.00 C ATOM 2364 ND1 HIS B 6 -15.707 -2.629 19.012 1.00 0.00 N ATOM 2365 CD2 HIS B 6 -14.528 -3.811 17.508 1.00 0.00 C ATOM 2366 CE1 HIS B 6 -16.151 -3.897 18.993 1.00 0.00 C ATOM 2367 NE2 HIS B 6 -15.467 -4.627 18.095 1.00 0.00 N ATOM 0 H HIS B 6 -15.695 -1.895 15.248 1.00 0.00 H new ATOM 0 HA HIS B 6 -13.773 0.099 16.039 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -12.891 -1.437 17.888 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -14.313 -0.489 18.273 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -13.810 -4.094 16.752 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -16.948 -4.278 19.614 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -15.618 -5.614 17.885 1.00 0.00 H new ATOM 2375 N PHE B 7 -11.874 -1.550 15.320 1.00 0.00 N ATOM 2376 CA PHE B 7 -10.908 -2.161 14.404 1.00 0.00 C ATOM 2377 C PHE B 7 -10.404 -3.530 14.924 1.00 0.00 C ATOM 2378 O PHE B 7 -9.906 -3.585 16.053 1.00 0.00 O ATOM 2379 CB PHE B 7 -9.768 -1.161 14.157 1.00 0.00 C ATOM 2380 CG PHE B 7 -8.995 -1.446 12.891 1.00 0.00 C ATOM 2381 CD1 PHE B 7 -9.677 -1.490 11.661 1.00 0.00 C ATOM 2382 CD2 PHE B 7 -7.609 -1.677 12.931 1.00 0.00 C ATOM 2383 CE1 PHE B 7 -8.986 -1.785 10.482 1.00 0.00 C ATOM 2384 CE2 PHE B 7 -6.912 -1.948 11.742 1.00 0.00 C ATOM 2385 CZ PHE B 7 -7.601 -2.001 10.518 1.00 0.00 C ATOM 0 H PHE B 7 -11.448 -0.932 16.011 1.00 0.00 H new ATOM 0 HA PHE B 7 -11.393 -2.380 13.453 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -10.181 -0.154 14.105 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -9.084 -1.181 15.006 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -10.739 -1.295 11.628 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -7.082 -1.646 13.873 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -9.518 -1.846 9.544 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -5.845 -2.116 11.768 1.00 0.00 H new ATOM 0 HZ PHE B 7 -7.063 -2.208 9.605 1.00 0.00 H new ATOM 2395 N PRO B 8 -10.530 -4.631 14.146 1.00 0.00 N ATOM 2396 CA PRO B 8 -10.248 -5.987 14.623 1.00 0.00 C ATOM 2397 C PRO B 8 -8.775 -6.413 14.489 1.00 0.00 C ATOM 2398 O PRO B 8 -8.348 -7.323 15.199 1.00 0.00 O ATOM 2399 CB PRO B 8 -11.143 -6.891 13.769 1.00 0.00 C ATOM 2400 CG PRO B 8 -11.176 -6.165 12.426 1.00 0.00 C ATOM 2401 CD PRO B 8 -11.174 -4.695 12.838 1.00 0.00 C ATOM 0 HA PRO B 8 -10.447 -6.052 15.693 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -10.731 -7.896 13.675 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -12.140 -6.994 14.197 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -10.312 -6.414 11.810 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -12.064 -6.422 11.848 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -10.634 -4.089 12.110 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -12.191 -4.305 12.887 1.00 0.00 H new ATOM 2409 N CYS B 9 -7.998 -5.790 13.594 1.00 0.00 N ATOM 2410 CA CYS B 9 -6.638 -6.227 13.260 1.00 0.00 C ATOM 2411 C CYS B 9 -5.591 -5.687 14.252 1.00 0.00 C ATOM 2412 O CYS B 9 -5.532 -4.483 14.517 1.00 0.00 O ATOM 2413 CB CYS B 9 -6.326 -5.807 11.818 1.00 0.00 C ATOM 2414 SG CYS B 9 -7.397 -6.732 10.680 1.00 0.00 S ATOM 0 H CYS B 9 -8.298 -4.963 13.078 1.00 0.00 H new ATOM 0 HA CYS B 9 -6.586 -7.313 13.340 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -6.486 -4.736 11.696 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -5.278 -6.001 11.589 1.00 0.00 H new ATOM 0 HG CYS B 9 -6.664 -7.431 9.866 1.00 0.00 H new ATOM 2420 N GLY B 10 -4.738 -6.582 14.768 1.00 0.00 N ATOM 2421 CA GLY B 10 -3.697 -6.271 15.763 1.00 0.00 C ATOM 2422 C GLY B 10 -2.377 -5.757 15.184 1.00 0.00 C ATOM 2423 O GLY B 10 -1.471 -5.422 15.950 1.00 0.00 O ATOM 0 H GLY B 10 -4.751 -7.566 14.500 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -4.088 -5.524 16.453 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -3.494 -7.169 16.347 1.00 0.00 H new ATOM 2427 N ASN B 11 -2.264 -5.652 13.855 1.00 0.00 N ATOM 2428 CA ASN B 11 -1.157 -4.994 13.159 1.00 0.00 C ATOM 2429 C ASN B 11 -1.675 -4.259 11.910 1.00 0.00 C ATOM 2430 O ASN B 11 -2.587 -4.747 11.237 1.00 0.00 O ATOM 2431 CB ASN B 11 -0.064 -6.018 12.803 1.00 0.00 C ATOM 2432 CG ASN B 11 1.277 -5.362 12.467 1.00 0.00 C ATOM 2433 OD1 ASN B 11 1.447 -4.149 12.542 1.00 0.00 O ATOM 2434 ND2 ASN B 11 2.274 -6.142 12.096 1.00 0.00 N ATOM 0 H ASN B 11 -2.962 -6.034 13.217 1.00 0.00 H new ATOM 0 HA ASN B 11 -0.711 -4.251 13.820 1.00 0.00 H new ATOM 0 HB2 ASN B 11 0.072 -6.703 13.640 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -0.395 -6.614 11.953 1.00 0.00 H new ATOM 0 HD21 ASN B 11 3.183 -5.736 11.873 1.00 0.00 H new ATOM 0 HD22 ASN B 11 2.136 -7.151 12.033 1.00 0.00 H new ATOM 2441 N VAL B 12 -1.115 -3.082 11.618 1.00 0.00 N ATOM 2442 CA VAL B 12 -1.616 -2.132 10.622 1.00 0.00 C ATOM 2443 C VAL B 12 -0.575 -1.052 10.296 1.00 0.00 C ATOM 2444 O VAL B 12 0.207 -0.643 11.153 1.00 0.00 O ATOM 2445 CB VAL B 12 -2.968 -1.529 11.081 1.00 0.00 C ATOM 2446 CG1 VAL B 12 -2.993 -0.948 12.506 1.00 0.00 C ATOM 2447 CG2 VAL B 12 -3.458 -0.443 10.128 1.00 0.00 C ATOM 0 H VAL B 12 -0.270 -2.753 12.085 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.796 -2.672 9.693 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.630 -2.395 11.075 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.986 -0.554 12.721 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.751 -1.732 13.223 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.260 -0.145 12.585 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.408 -0.047 10.486 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.723 0.361 10.084 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.593 -0.866 9.133 1.00 0.00 H new ATOM 2457 N ASN B 13 -0.593 -0.610 9.037 1.00 0.00 N ATOM 2458 CA ASN B 13 0.244 0.436 8.451 1.00 0.00 C ATOM 2459 C ASN B 13 -0.644 1.598 7.949 1.00 0.00 C ATOM 2460 O ASN B 13 -1.746 1.376 7.439 1.00 0.00 O ATOM 2461 CB ASN B 13 1.055 -0.238 7.327 1.00 0.00 C ATOM 2462 CG ASN B 13 2.003 0.667 6.550 1.00 0.00 C ATOM 2463 OD1 ASN B 13 2.332 1.780 6.942 1.00 0.00 O ATOM 2464 ND2 ASN B 13 2.486 0.187 5.418 1.00 0.00 N ATOM 0 H ASN B 13 -1.239 -1.002 8.352 1.00 0.00 H new ATOM 0 HA ASN B 13 0.930 0.879 9.173 1.00 0.00 H new ATOM 0 HB2 ASN B 13 1.636 -1.050 7.763 1.00 0.00 H new ATOM 0 HB3 ASN B 13 0.356 -0.689 6.622 1.00 0.00 H new ATOM 0 HD21 ASN B 13 3.137 0.744 4.865 1.00 0.00 H new ATOM 0 HD22 ASN B 13 2.208 -0.741 5.097 1.00 0.00 H new ATOM 2471 N TYR B 14 -0.176 2.841 8.106 1.00 0.00 N ATOM 2472 CA TYR B 14 -0.851 4.060 7.637 1.00 0.00 C ATOM 2473 C TYR B 14 -0.169 4.569 6.349 1.00 0.00 C ATOM 2474 O TYR B 14 0.957 5.075 6.384 1.00 0.00 O ATOM 2475 CB TYR B 14 -0.838 5.116 8.753 1.00 0.00 C ATOM 2476 CG TYR B 14 -1.325 4.654 10.119 1.00 0.00 C ATOM 2477 CD1 TYR B 14 -2.703 4.563 10.395 1.00 0.00 C ATOM 2478 CD2 TYR B 14 -0.395 4.363 11.139 1.00 0.00 C ATOM 2479 CE1 TYR B 14 -3.148 4.229 11.684 1.00 0.00 C ATOM 2480 CE2 TYR B 14 -0.836 3.994 12.425 1.00 0.00 C ATOM 2481 CZ TYR B 14 -2.219 3.933 12.705 1.00 0.00 C ATOM 2482 OH TYR B 14 -2.666 3.603 13.950 1.00 0.00 O ATOM 0 H TYR B 14 0.708 3.034 8.576 1.00 0.00 H new ATOM 0 HA TYR B 14 -1.892 3.845 7.395 1.00 0.00 H new ATOM 0 HB2 TYR B 14 0.181 5.489 8.860 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.454 5.958 8.436 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -3.421 4.751 9.611 1.00 0.00 H new ATOM 0 HD2 TYR B 14 0.663 4.424 10.932 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -4.207 4.198 11.896 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -0.117 3.758 13.196 1.00 0.00 H new ATOM 0 HH TYR B 14 -1.901 3.427 14.536 1.00 0.00 H new