USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=21 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 17 HIS : no HD1:sc= -0.0344 K(o=-0.034,f=-8.1!) USER MOD Set 1.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 178:sc= 1.34 (180deg=1.32) 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 : amide:sc= 0.168 X(o=0.17,f=0) USER MOD Single : A 35 SER OG : rot 31:sc= 0.103 USER MOD Single : A 38 MET CE :methyl -173:sc= -0.0258 (180deg=-0.091) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.324 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.96 K(o=0.96,f=-3!) USER MOD Single : A 59 TYR OH : rot 172:sc= 1.22 USER MOD Single : A 61 CYS SG : rot 180:sc= 0.0956 USER MOD Single : A 65 TYR OH : rot 165:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -29:sc= 0.0414 USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 73 SER OG : rot 36:sc= 0.0797 USER MOD Single : A 76 SER OG : rot 98:sc= 0.967 USER MOD Single : A 80 CYS SG : rot 87:sc= -0.0824 USER MOD Single : A 81 GLN : amide:sc= 1.52 K(o=1.5,f=-8.3!) USER MOD Single : A 82 THR OG1 : rot 110:sc= 0.657 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot 77:sc= 0.232 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 102 GLN : amide:sc= 0.637 K(o=0.64,f=0) USER MOD Single : A 105 MET CE :methyl 171:sc= -0.0662 (180deg=-0.277) USER MOD Single : B 6 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD Single : B 9 CYS SG : rot 96:sc= 0.483 USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 ASN : amide:sc=-0.00662 K(o=-0.0066,f=-0.56) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N HIS A 17 -4.120 -16.216 -6.930 1.00 0.00 N ATOM 203 CA HIS A 17 -3.694 -15.257 -7.958 1.00 0.00 C ATOM 204 C HIS A 17 -2.833 -14.090 -7.383 1.00 0.00 C ATOM 205 O HIS A 17 -3.030 -13.712 -6.222 1.00 0.00 O ATOM 206 CB HIS A 17 -4.970 -14.723 -8.630 1.00 0.00 C ATOM 207 CG HIS A 17 -4.734 -14.051 -9.943 1.00 0.00 C ATOM 208 ND1 HIS A 17 -4.417 -12.706 -10.106 1.00 0.00 N ATOM 209 CD2 HIS A 17 -4.715 -14.667 -11.160 1.00 0.00 C ATOM 210 CE1 HIS A 17 -4.230 -12.535 -11.424 1.00 0.00 C ATOM 211 NE2 HIS A 17 -4.405 -13.697 -12.085 1.00 0.00 N ATOM 0 HA HIS A 17 -3.048 -15.761 -8.677 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.663 -15.551 -8.778 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.455 -14.018 -7.955 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.906 -15.711 -11.358 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.974 -11.595 -11.891 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -4.322 -13.833 -13.093 1.00 0.00 H new ATOM 219 N PRO A 18 -1.898 -13.492 -8.156 1.00 0.00 N ATOM 220 CA PRO A 18 -1.076 -12.369 -7.693 1.00 0.00 C ATOM 221 C PRO A 18 -1.815 -11.026 -7.522 1.00 0.00 C ATOM 222 O PRO A 18 -1.305 -10.182 -6.785 1.00 0.00 O ATOM 223 CB PRO A 18 0.068 -12.246 -8.707 1.00 0.00 C ATOM 224 CG PRO A 18 -0.521 -12.846 -9.982 1.00 0.00 C ATOM 225 CD PRO A 18 -1.385 -13.976 -9.431 1.00 0.00 C ATOM 0 HA PRO A 18 -0.733 -12.585 -6.681 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.366 -11.208 -8.852 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.955 -12.789 -8.380 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.109 -12.118 -10.541 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.253 -13.215 -10.655 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.199 -14.216 -10.115 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.801 -14.887 -9.298 1.00 0.00 H new ATOM 233 N THR A 19 -2.985 -10.810 -8.151 1.00 0.00 N ATOM 234 CA THR A 19 -3.757 -9.550 -8.039 1.00 0.00 C ATOM 235 C THR A 19 -5.208 -9.739 -7.609 1.00 0.00 C ATOM 236 O THR A 19 -5.779 -8.811 -7.039 1.00 0.00 O ATOM 237 CB THR A 19 -3.706 -8.722 -9.330 1.00 0.00 C ATOM 238 OG1 THR A 19 -4.309 -9.435 -10.385 1.00 0.00 O ATOM 239 CG2 THR A 19 -2.273 -8.374 -9.733 1.00 0.00 C ATOM 0 H THR A 19 -3.426 -11.504 -8.754 1.00 0.00 H new ATOM 0 HA THR A 19 -3.257 -9.003 -7.240 1.00 0.00 H new ATOM 0 HB THR A 19 -4.246 -7.795 -9.136 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.273 -8.899 -11.205 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.286 -7.788 -10.652 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.802 -7.794 -8.939 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.708 -9.292 -9.896 1.00 0.00 H new ATOM 247 N LYS A 20 -5.787 -10.930 -7.804 1.00 0.00 N ATOM 248 CA LYS A 20 -7.087 -11.319 -7.241 1.00 0.00 C ATOM 249 C LYS A 20 -6.887 -12.132 -5.947 1.00 0.00 C ATOM 250 O LYS A 20 -5.972 -12.948 -5.839 1.00 0.00 O ATOM 251 CB LYS A 20 -7.916 -12.136 -8.257 1.00 0.00 C ATOM 252 CG LYS A 20 -8.603 -11.346 -9.381 1.00 0.00 C ATOM 253 CD LYS A 20 -7.620 -10.777 -10.415 1.00 0.00 C ATOM 254 CE LYS A 20 -8.174 -10.822 -11.845 1.00 0.00 C ATOM 255 NZ LYS A 20 -9.360 -9.951 -12.041 1.00 0.00 N ATOM 0 H LYS A 20 -5.358 -11.664 -8.368 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.638 -10.407 -7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.260 -12.877 -8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.682 -12.684 -7.709 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.317 -11.996 -9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.173 -10.527 -8.943 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.381 -9.746 -10.154 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.688 -11.340 -10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.391 -10.520 -12.541 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.441 -11.849 -12.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.666 -9.999 -13.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.133 -10.273 -11.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.113 -8.969 -11.802 1.00 0.00 H new ATOM 269 N PHE A 21 -7.784 -11.955 -4.981 1.00 0.00 N ATOM 270 CA PHE A 21 -7.793 -12.655 -3.700 1.00 0.00 C ATOM 271 C PHE A 21 -9.244 -12.995 -3.351 1.00 0.00 C ATOM 272 O PHE A 21 -10.081 -12.105 -3.215 1.00 0.00 O ATOM 273 CB PHE A 21 -7.141 -11.768 -2.621 1.00 0.00 C ATOM 274 CG PHE A 21 -5.669 -11.444 -2.836 1.00 0.00 C ATOM 275 CD1 PHE A 21 -5.290 -10.317 -3.596 1.00 0.00 C ATOM 276 CD2 PHE A 21 -4.673 -12.258 -2.259 1.00 0.00 C ATOM 277 CE1 PHE A 21 -3.929 -10.018 -3.783 1.00 0.00 C ATOM 278 CE2 PHE A 21 -3.311 -11.951 -2.438 1.00 0.00 C ATOM 279 CZ PHE A 21 -2.939 -10.830 -3.203 1.00 0.00 C ATOM 0 H PHE A 21 -8.555 -11.294 -5.073 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.217 -13.579 -3.756 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.696 -10.832 -2.562 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.248 -12.263 -1.656 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.047 -9.683 -4.035 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.957 -13.122 -1.676 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.643 -9.161 -4.375 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.553 -12.575 -1.989 1.00 0.00 H new ATOM 0 HZ PHE A 21 -1.895 -10.594 -3.344 1.00 0.00 H new ATOM 289 N LYS A 22 -9.570 -14.283 -3.215 1.00 0.00 N ATOM 290 CA LYS A 22 -10.902 -14.702 -2.759 1.00 0.00 C ATOM 291 C LYS A 22 -11.059 -14.407 -1.260 1.00 0.00 C ATOM 292 O LYS A 22 -10.149 -14.659 -0.465 1.00 0.00 O ATOM 293 CB LYS A 22 -11.146 -16.180 -3.104 1.00 0.00 C ATOM 294 CG LYS A 22 -11.373 -16.334 -4.615 1.00 0.00 C ATOM 295 CD LYS A 22 -11.454 -17.805 -5.039 1.00 0.00 C ATOM 296 CE LYS A 22 -11.418 -17.927 -6.571 1.00 0.00 C ATOM 297 NZ LYS A 22 -11.382 -19.349 -7.004 1.00 0.00 N ATOM 0 H LYS A 22 -8.932 -15.054 -3.413 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.667 -14.128 -3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.291 -16.781 -2.793 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.013 -16.552 -2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.295 -15.825 -4.896 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.562 -15.846 -5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.623 -18.361 -4.604 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.371 -18.250 -4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.294 -17.438 -6.997 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.543 -17.405 -6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.358 -19.395 -8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.533 -19.808 -6.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.230 -19.840 -6.655 1.00 0.00 H new ATOM 311 N VAL A 23 -12.208 -13.847 -0.888 1.00 0.00 N ATOM 312 CA VAL A 23 -12.492 -13.314 0.458 1.00 0.00 C ATOM 313 C VAL A 23 -13.928 -13.632 0.891 1.00 0.00 C ATOM 314 O VAL A 23 -14.742 -14.050 0.073 1.00 0.00 O ATOM 315 CB VAL A 23 -12.231 -11.789 0.556 1.00 0.00 C ATOM 316 CG1 VAL A 23 -10.766 -11.406 0.297 1.00 0.00 C ATOM 317 CG2 VAL A 23 -13.129 -10.941 -0.360 1.00 0.00 C ATOM 0 H VAL A 23 -12.996 -13.745 -1.528 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.801 -13.812 1.138 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.483 -11.560 1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.652 -10.325 0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.127 -11.896 1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.478 -11.724 -0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -12.885 -9.886 -0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.965 -11.229 -1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.174 -11.106 -0.099 1.00 0.00 H new ATOM 327 N THR A 24 -14.255 -13.403 2.167 1.00 0.00 N ATOM 328 CA THR A 24 -15.620 -13.501 2.713 1.00 0.00 C ATOM 329 C THR A 24 -15.792 -12.393 3.739 1.00 0.00 C ATOM 330 O THR A 24 -15.022 -12.325 4.692 1.00 0.00 O ATOM 331 CB THR A 24 -15.846 -14.880 3.343 1.00 0.00 C ATOM 332 OG1 THR A 24 -15.890 -15.839 2.312 1.00 0.00 O ATOM 333 CG2 THR A 24 -17.179 -14.980 4.083 1.00 0.00 C ATOM 0 H THR A 24 -13.564 -13.138 2.869 1.00 0.00 H new ATOM 0 HA THR A 24 -16.358 -13.386 1.920 1.00 0.00 H new ATOM 0 HB THR A 24 -15.033 -15.045 4.051 1.00 0.00 H new ATOM 0 HG1 THR A 24 -16.032 -16.728 2.698 1.00 0.00 H new ATOM 0 HG21 THR A 24 -17.285 -15.978 4.509 1.00 0.00 H new ATOM 0 HG22 THR A 24 -17.208 -14.240 4.882 1.00 0.00 H new ATOM 0 HG23 THR A 24 -17.997 -14.794 3.387 1.00 0.00 H new ATOM 341 N ASN A 25 -16.781 -11.521 3.557 1.00 0.00 N ATOM 342 CA ASN A 25 -17.093 -10.447 4.504 1.00 0.00 C ATOM 343 C ASN A 25 -17.663 -11.031 5.813 1.00 0.00 C ATOM 344 O ASN A 25 -18.528 -11.912 5.769 1.00 0.00 O ATOM 345 CB ASN A 25 -18.065 -9.462 3.834 1.00 0.00 C ATOM 346 CG ASN A 25 -18.298 -8.212 4.677 1.00 0.00 C ATOM 347 OD1 ASN A 25 -19.348 -8.027 5.278 1.00 0.00 O ATOM 348 ND2 ASN A 25 -17.326 -7.320 4.753 1.00 0.00 N ATOM 0 H ASN A 25 -17.395 -11.538 2.742 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.186 -9.906 4.772 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -17.671 -9.172 2.860 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.018 -9.960 3.656 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -17.450 -6.477 5.313 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -16.451 -7.475 4.252 1.00 0.00 H new ATOM 355 N VAL A 26 -17.176 -10.553 6.964 1.00 0.00 N ATOM 356 CA VAL A 26 -17.506 -11.089 8.298 1.00 0.00 C ATOM 357 C VAL A 26 -17.967 -10.020 9.299 1.00 0.00 C ATOM 358 O VAL A 26 -17.630 -8.844 9.160 1.00 0.00 O ATOM 359 CB VAL A 26 -16.351 -11.920 8.910 1.00 0.00 C ATOM 360 CG1 VAL A 26 -16.007 -13.155 8.063 1.00 0.00 C ATOM 361 CG2 VAL A 26 -15.061 -11.117 9.150 1.00 0.00 C ATOM 0 H VAL A 26 -16.528 -9.766 6.999 1.00 0.00 H new ATOM 0 HA VAL A 26 -18.353 -11.751 8.117 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.739 -12.232 9.879 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.192 -13.704 8.534 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -16.883 -13.800 7.988 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.702 -12.839 7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.301 -11.769 9.580 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.701 -10.715 8.203 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.266 -10.296 9.838 1.00 0.00 H new ATOM 371 N ASP A 27 -18.734 -10.444 10.314 1.00 0.00 N ATOM 372 CA ASP A 27 -19.226 -9.585 11.405 1.00 0.00 C ATOM 373 C ASP A 27 -18.221 -9.404 12.570 1.00 0.00 C ATOM 374 O ASP A 27 -17.062 -9.817 12.494 1.00 0.00 O ATOM 375 CB ASP A 27 -20.605 -10.081 11.890 1.00 0.00 C ATOM 376 CG ASP A 27 -20.581 -11.230 12.917 1.00 0.00 C ATOM 377 OD1 ASP A 27 -19.569 -11.964 13.003 1.00 0.00 O ATOM 378 OD2 ASP A 27 -21.600 -11.405 13.623 1.00 0.00 O ATOM 0 H ASP A 27 -19.037 -11.414 10.403 1.00 0.00 H new ATOM 0 HA ASP A 27 -19.340 -8.583 10.991 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -21.140 -9.238 12.328 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -21.179 -10.406 11.022 1.00 0.00 H new ATOM 383 N ASP A 28 -18.681 -8.806 13.677 1.00 0.00 N ATOM 384 CA ASP A 28 -17.911 -8.569 14.907 1.00 0.00 C ATOM 385 C ASP A 28 -17.440 -9.837 15.636 1.00 0.00 C ATOM 386 O ASP A 28 -16.477 -9.791 16.403 1.00 0.00 O ATOM 387 CB ASP A 28 -18.751 -7.726 15.877 1.00 0.00 C ATOM 388 CG ASP A 28 -20.120 -8.319 16.252 1.00 0.00 C ATOM 389 OD1 ASP A 28 -21.001 -8.401 15.364 1.00 0.00 O ATOM 390 OD2 ASP A 28 -20.326 -8.637 17.447 1.00 0.00 O ATOM 0 H ASP A 28 -19.638 -8.460 13.744 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.006 -8.051 14.588 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.177 -7.575 16.791 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -18.909 -6.743 15.434 1.00 0.00 H new ATOM 395 N GLU A 29 -18.106 -10.958 15.379 1.00 0.00 N ATOM 396 CA GLU A 29 -17.798 -12.277 15.945 1.00 0.00 C ATOM 397 C GLU A 29 -17.055 -13.187 14.945 1.00 0.00 C ATOM 398 O GLU A 29 -16.721 -14.331 15.269 1.00 0.00 O ATOM 399 CB GLU A 29 -19.073 -12.971 16.459 1.00 0.00 C ATOM 400 CG GLU A 29 -20.078 -12.027 17.132 1.00 0.00 C ATOM 401 CD GLU A 29 -20.985 -12.785 18.112 1.00 0.00 C ATOM 402 OE1 GLU A 29 -22.049 -13.309 17.689 1.00 0.00 O ATOM 403 OE2 GLU A 29 -20.646 -12.876 19.313 1.00 0.00 O ATOM 0 H GLU A 29 -18.907 -10.979 14.747 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.128 -12.106 16.788 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -19.564 -13.469 15.623 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -18.789 -13.747 17.170 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -19.542 -11.240 17.663 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -20.688 -11.539 16.371 1.00 0.00 H new ATOM 410 N GLY A 30 -16.798 -12.693 13.726 1.00 0.00 N ATOM 411 CA GLY A 30 -16.133 -13.423 12.646 1.00 0.00 C ATOM 412 C GLY A 30 -17.054 -14.354 11.851 1.00 0.00 C ATOM 413 O GLY A 30 -16.533 -15.196 11.120 1.00 0.00 O ATOM 0 H GLY A 30 -17.057 -11.743 13.459 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.684 -12.704 11.961 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.319 -14.012 13.069 1.00 0.00 H new ATOM 417 N VAL A 31 -18.383 -14.236 11.966 1.00 0.00 N ATOM 418 CA VAL A 31 -19.323 -15.085 11.206 1.00 0.00 C ATOM 419 C VAL A 31 -19.361 -14.667 9.739 1.00 0.00 C ATOM 420 O VAL A 31 -19.248 -13.487 9.424 1.00 0.00 O ATOM 421 CB VAL A 31 -20.757 -15.164 11.782 1.00 0.00 C ATOM 422 CG1 VAL A 31 -20.762 -15.390 13.302 1.00 0.00 C ATOM 423 CG2 VAL A 31 -21.702 -14.036 11.373 1.00 0.00 C ATOM 0 H VAL A 31 -18.837 -13.559 12.579 1.00 0.00 H new ATOM 0 HA VAL A 31 -18.924 -16.095 11.301 1.00 0.00 H new ATOM 0 HB VAL A 31 -21.176 -16.048 11.302 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -21.791 -15.438 13.659 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.253 -16.326 13.532 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.245 -14.566 13.794 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -22.677 -14.193 11.834 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -21.294 -13.081 11.704 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -21.810 -14.027 10.288 1.00 0.00 H new ATOM 433 N GLU A 32 -19.521 -15.643 8.850 1.00 0.00 N ATOM 434 CA GLU A 32 -19.415 -15.477 7.397 1.00 0.00 C ATOM 435 C GLU A 32 -20.770 -15.057 6.813 1.00 0.00 C ATOM 436 O GLU A 32 -21.768 -15.768 6.963 1.00 0.00 O ATOM 437 CB GLU A 32 -18.946 -16.805 6.778 1.00 0.00 C ATOM 438 CG GLU A 32 -17.509 -17.173 7.178 1.00 0.00 C ATOM 439 CD GLU A 32 -17.128 -18.563 6.644 1.00 0.00 C ATOM 440 OE1 GLU A 32 -17.520 -19.580 7.265 1.00 0.00 O ATOM 441 OE2 GLU A 32 -16.428 -18.651 5.608 1.00 0.00 O ATOM 0 H GLU A 32 -19.735 -16.602 9.125 1.00 0.00 H new ATOM 0 HA GLU A 32 -18.691 -14.695 7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -19.620 -17.603 7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -19.010 -16.737 5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -16.817 -16.427 6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.415 -17.158 8.264 1.00 0.00 H new ATOM 448 N LEU A 33 -20.806 -13.893 6.153 1.00 0.00 N ATOM 449 CA LEU A 33 -22.048 -13.236 5.726 1.00 0.00 C ATOM 450 C LEU A 33 -22.276 -13.363 4.218 1.00 0.00 C ATOM 451 O LEU A 33 -23.335 -13.815 3.777 1.00 0.00 O ATOM 452 CB LEU A 33 -21.999 -11.754 6.143 1.00 0.00 C ATOM 453 CG LEU A 33 -21.619 -11.499 7.613 1.00 0.00 C ATOM 454 CD1 LEU A 33 -21.636 -9.989 7.846 1.00 0.00 C ATOM 455 CD2 LEU A 33 -22.553 -12.227 8.588 1.00 0.00 C ATOM 0 H LEU A 33 -19.965 -13.375 5.898 1.00 0.00 H new ATOM 0 HA LEU A 33 -22.887 -13.733 6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.283 -11.237 5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -22.975 -11.307 5.954 1.00 0.00 H new ATOM 0 HG LEU A 33 -20.623 -11.899 7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -21.370 -9.778 8.882 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -20.917 -9.510 7.182 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -22.634 -9.600 7.641 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -22.245 -12.017 9.612 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -23.576 -11.882 8.438 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -22.502 -13.301 8.407 1.00 0.00 H new ATOM 467 N GLY A 34 -21.265 -12.974 3.437 1.00 0.00 N ATOM 468 CA GLY A 34 -21.235 -13.086 1.978 1.00 0.00 C ATOM 469 C GLY A 34 -19.814 -13.217 1.446 1.00 0.00 C ATOM 470 O GLY A 34 -18.913 -12.506 1.887 1.00 0.00 O ATOM 0 H GLY A 34 -20.415 -12.558 3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.819 -13.952 1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -21.708 -12.209 1.537 1.00 0.00 H new ATOM 474 N SER A 35 -19.608 -14.111 0.485 1.00 0.00 N ATOM 475 CA SER A 35 -18.306 -14.296 -0.168 1.00 0.00 C ATOM 476 C SER A 35 -18.096 -13.283 -1.308 1.00 0.00 C ATOM 477 O SER A 35 -19.045 -12.807 -1.944 1.00 0.00 O ATOM 478 CB SER A 35 -18.155 -15.741 -0.632 1.00 0.00 C ATOM 479 OG SER A 35 -16.910 -15.988 -1.265 1.00 0.00 O ATOM 0 H SER A 35 -20.337 -14.731 0.132 1.00 0.00 H new ATOM 0 HA SER A 35 -17.518 -14.098 0.558 1.00 0.00 H new ATOM 0 HB2 SER A 35 -18.260 -16.406 0.225 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.963 -15.982 -1.323 1.00 0.00 H new ATOM 0 HG SER A 35 -16.224 -15.406 -0.876 1.00 0.00 H new ATOM 485 N GLY A 36 -16.832 -12.922 -1.531 1.00 0.00 N ATOM 486 CA GLY A 36 -16.388 -11.872 -2.442 1.00 0.00 C ATOM 487 C GLY A 36 -15.059 -12.183 -3.122 1.00 0.00 C ATOM 488 O GLY A 36 -14.310 -13.067 -2.697 1.00 0.00 O ATOM 0 H GLY A 36 -16.053 -13.378 -1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.151 -11.717 -3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.295 -10.937 -1.889 1.00 0.00 H new ATOM 492 N VAL A 37 -14.736 -11.396 -4.146 1.00 0.00 N ATOM 493 CA VAL A 37 -13.406 -11.394 -4.777 1.00 0.00 C ATOM 494 C VAL A 37 -12.834 -9.989 -4.645 1.00 0.00 C ATOM 495 O VAL A 37 -13.428 -9.027 -5.123 1.00 0.00 O ATOM 496 CB VAL A 37 -13.447 -11.853 -6.252 1.00 0.00 C ATOM 497 CG1 VAL A 37 -12.043 -11.814 -6.879 1.00 0.00 C ATOM 498 CG2 VAL A 37 -14.007 -13.280 -6.375 1.00 0.00 C ATOM 0 H VAL A 37 -15.389 -10.736 -4.568 1.00 0.00 H new ATOM 0 HA VAL A 37 -12.765 -12.115 -4.270 1.00 0.00 H new ATOM 0 HB VAL A 37 -14.102 -11.163 -6.784 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.099 -12.142 -7.917 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.655 -10.796 -6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.378 -12.477 -6.325 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.024 -13.575 -7.424 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.375 -13.969 -5.814 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -15.020 -13.309 -5.974 1.00 0.00 H new ATOM 508 N MET A 38 -11.687 -9.884 -3.979 1.00 0.00 N ATOM 509 CA MET A 38 -10.941 -8.645 -3.780 1.00 0.00 C ATOM 510 C MET A 38 -9.833 -8.546 -4.828 1.00 0.00 C ATOM 511 O MET A 38 -9.233 -9.550 -5.212 1.00 0.00 O ATOM 512 CB MET A 38 -10.409 -8.621 -2.340 1.00 0.00 C ATOM 513 CG MET A 38 -9.789 -7.269 -1.968 1.00 0.00 C ATOM 514 SD MET A 38 -9.369 -7.095 -0.214 1.00 0.00 S ATOM 515 CE MET A 38 -11.025 -6.902 0.500 1.00 0.00 C ATOM 0 H MET A 38 -11.235 -10.690 -3.547 1.00 0.00 H new ATOM 0 HA MET A 38 -11.579 -7.771 -3.912 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.223 -8.846 -1.651 1.00 0.00 H new ATOM 0 HB3 MET A 38 -9.662 -9.406 -2.218 1.00 0.00 H new ATOM 0 HG2 MET A 38 -8.887 -7.121 -2.561 1.00 0.00 H new ATOM 0 HG3 MET A 38 -10.485 -6.476 -2.243 1.00 0.00 H new ATOM 0 HE1 MET A 38 -10.939 -6.659 1.559 1.00 0.00 H new ATOM 0 HE2 MET A 38 -11.552 -6.098 -0.015 1.00 0.00 H new ATOM 0 HE3 MET A 38 -11.581 -7.832 0.385 1.00 0.00 H new ATOM 525 N GLU A 39 -9.575 -7.338 -5.312 1.00 0.00 N ATOM 526 CA GLU A 39 -8.703 -7.065 -6.446 1.00 0.00 C ATOM 527 C GLU A 39 -7.969 -5.741 -6.225 1.00 0.00 C ATOM 528 O GLU A 39 -8.586 -4.703 -5.959 1.00 0.00 O ATOM 529 CB GLU A 39 -9.565 -7.071 -7.715 1.00 0.00 C ATOM 530 CG GLU A 39 -8.814 -6.649 -8.982 1.00 0.00 C ATOM 531 CD GLU A 39 -9.664 -6.864 -10.241 1.00 0.00 C ATOM 532 OE1 GLU A 39 -10.890 -6.604 -10.221 1.00 0.00 O ATOM 533 OE2 GLU A 39 -9.103 -7.323 -11.262 1.00 0.00 O ATOM 0 H GLU A 39 -9.981 -6.492 -4.912 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.932 -7.828 -6.555 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.970 -8.072 -7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.413 -6.402 -7.568 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.534 -5.598 -8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.889 -7.220 -9.065 1.00 0.00 H new ATOM 540 N LEU A 40 -6.639 -5.802 -6.333 1.00 0.00 N ATOM 541 CA LEU A 40 -5.725 -4.682 -6.114 1.00 0.00 C ATOM 542 C LEU A 40 -5.097 -4.293 -7.453 1.00 0.00 C ATOM 543 O LEU A 40 -4.600 -5.152 -8.188 1.00 0.00 O ATOM 544 CB LEU A 40 -4.618 -5.067 -5.109 1.00 0.00 C ATOM 545 CG LEU A 40 -5.013 -5.109 -3.618 1.00 0.00 C ATOM 546 CD1 LEU A 40 -5.954 -6.267 -3.274 1.00 0.00 C ATOM 547 CD2 LEU A 40 -3.740 -5.262 -2.775 1.00 0.00 C ATOM 0 H LEU A 40 -6.154 -6.663 -6.584 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.281 -3.841 -5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.235 -6.049 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.796 -4.360 -5.222 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.541 -4.180 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.192 -6.239 -2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.872 -6.175 -3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.468 -7.213 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.005 -5.293 -1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.231 -6.186 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.078 -4.416 -2.958 1.00 0.00 H new ATOM 559 N THR A 41 -5.102 -2.992 -7.746 1.00 0.00 N ATOM 560 CA THR A 41 -4.541 -2.401 -8.975 1.00 0.00 C ATOM 561 C THR A 41 -3.726 -1.159 -8.642 1.00 0.00 C ATOM 562 O THR A 41 -3.785 -0.655 -7.522 1.00 0.00 O ATOM 563 CB THR A 41 -5.643 -2.078 -9.998 1.00 0.00 C ATOM 564 OG1 THR A 41 -6.361 -0.934 -9.592 1.00 0.00 O ATOM 565 CG2 THR A 41 -6.637 -3.218 -10.221 1.00 0.00 C ATOM 0 H THR A 41 -5.507 -2.295 -7.121 1.00 0.00 H new ATOM 0 HA THR A 41 -3.879 -3.137 -9.431 1.00 0.00 H new ATOM 0 HB THR A 41 -5.125 -1.909 -10.942 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.059 -0.735 -10.250 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.382 -2.912 -10.955 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.106 -4.097 -10.587 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.132 -3.458 -9.280 1.00 0.00 H new ATOM 573 N GLN A 42 -3.006 -0.617 -9.623 1.00 0.00 N ATOM 574 CA GLN A 42 -2.342 0.685 -9.493 1.00 0.00 C ATOM 575 C GLN A 42 -3.338 1.863 -9.414 1.00 0.00 C ATOM 576 O GLN A 42 -2.911 3.006 -9.290 1.00 0.00 O ATOM 577 CB GLN A 42 -1.338 0.881 -10.645 1.00 0.00 C ATOM 578 CG GLN A 42 -0.137 -0.074 -10.556 1.00 0.00 C ATOM 579 CD GLN A 42 0.875 0.191 -11.673 1.00 0.00 C ATOM 580 OE1 GLN A 42 0.650 -0.106 -12.840 1.00 0.00 O ATOM 581 NE2 GLN A 42 2.022 0.765 -11.371 1.00 0.00 N ATOM 0 H GLN A 42 -2.865 -1.064 -10.529 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.804 0.682 -8.545 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.848 0.728 -11.596 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.979 1.910 -10.637 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.350 0.042 -9.588 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.485 -1.105 -10.617 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.226 1.019 -10.405 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.706 0.955 -12.104 1.00 0.00 H new ATOM 590 N SER A 43 -4.654 1.621 -9.466 1.00 0.00 N ATOM 591 CA SER A 43 -5.680 2.664 -9.358 1.00 0.00 C ATOM 592 C SER A 43 -6.347 2.690 -7.969 1.00 0.00 C ATOM 593 O SER A 43 -6.380 3.749 -7.335 1.00 0.00 O ATOM 594 CB SER A 43 -6.715 2.475 -10.476 1.00 0.00 C ATOM 595 OG SER A 43 -7.521 3.634 -10.625 1.00 0.00 O ATOM 0 H SER A 43 -5.040 0.684 -9.586 1.00 0.00 H new ATOM 0 HA SER A 43 -5.196 3.634 -9.476 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.206 2.259 -11.415 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.346 1.615 -10.251 1.00 0.00 H new ATOM 0 HG SER A 43 -8.171 3.490 -11.344 1.00 0.00 H new ATOM 601 N GLU A 44 -6.853 1.549 -7.473 1.00 0.00 N ATOM 602 CA GLU A 44 -7.686 1.457 -6.259 1.00 0.00 C ATOM 603 C GLU A 44 -8.022 -0.003 -5.870 1.00 0.00 C ATOM 604 O GLU A 44 -7.706 -0.949 -6.600 1.00 0.00 O ATOM 605 CB GLU A 44 -8.950 2.345 -6.384 1.00 0.00 C ATOM 606 CG GLU A 44 -9.715 2.328 -7.715 1.00 0.00 C ATOM 607 CD GLU A 44 -10.343 0.989 -8.050 1.00 0.00 C ATOM 608 OE1 GLU A 44 -11.128 0.515 -7.191 1.00 0.00 O ATOM 609 OE2 GLU A 44 -10.130 0.495 -9.175 1.00 0.00 O ATOM 0 H GLU A 44 -6.692 0.643 -7.914 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.093 1.847 -5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.644 2.051 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.656 3.375 -6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.497 3.086 -7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.033 2.608 -8.518 1.00 0.00 H new ATOM 616 N LEU A 45 -8.655 -0.193 -4.701 1.00 0.00 N ATOM 617 CA LEU A 45 -9.130 -1.485 -4.202 1.00 0.00 C ATOM 618 C LEU A 45 -10.533 -1.786 -4.748 1.00 0.00 C ATOM 619 O LEU A 45 -11.479 -1.071 -4.413 1.00 0.00 O ATOM 620 CB LEU A 45 -9.163 -1.451 -2.654 1.00 0.00 C ATOM 621 CG LEU A 45 -8.133 -2.352 -1.962 1.00 0.00 C ATOM 622 CD1 LEU A 45 -8.266 -2.196 -0.441 1.00 0.00 C ATOM 623 CD2 LEU A 45 -8.321 -3.827 -2.327 1.00 0.00 C ATOM 0 H LEU A 45 -8.854 0.575 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.453 -2.270 -4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.004 -0.424 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.159 -1.742 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.144 -2.044 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.536 -2.835 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.087 -1.157 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.270 -2.485 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.570 -4.427 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.316 -4.153 -2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.212 -3.952 -3.404 1.00 0.00 H new ATOM 635 N VAL A 46 -10.680 -2.870 -5.513 1.00 0.00 N ATOM 636 CA VAL A 46 -11.948 -3.301 -6.129 1.00 0.00 C ATOM 637 C VAL A 46 -12.439 -4.576 -5.432 1.00 0.00 C ATOM 638 O VAL A 46 -11.645 -5.454 -5.104 1.00 0.00 O ATOM 639 CB VAL A 46 -11.780 -3.545 -7.649 1.00 0.00 C ATOM 640 CG1 VAL A 46 -13.129 -3.882 -8.312 1.00 0.00 C ATOM 641 CG2 VAL A 46 -11.175 -2.353 -8.409 1.00 0.00 C ATOM 0 H VAL A 46 -9.902 -3.493 -5.730 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.686 -2.509 -6.005 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.086 -4.383 -7.716 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.979 -4.048 -9.379 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.542 -4.783 -7.859 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.822 -3.053 -8.168 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.089 -2.602 -9.467 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.820 -1.482 -8.292 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.187 -2.129 -8.008 1.00 0.00 H new ATOM 651 N LEU A 47 -13.748 -4.681 -5.198 1.00 0.00 N ATOM 652 CA LEU A 47 -14.393 -5.760 -4.455 1.00 0.00 C ATOM 653 C LEU A 47 -15.703 -6.154 -5.143 1.00 0.00 C ATOM 654 O LEU A 47 -16.576 -5.324 -5.397 1.00 0.00 O ATOM 655 CB LEU A 47 -14.562 -5.250 -3.013 1.00 0.00 C ATOM 656 CG LEU A 47 -14.857 -6.243 -1.874 1.00 0.00 C ATOM 657 CD1 LEU A 47 -16.287 -6.777 -1.850 1.00 0.00 C ATOM 658 CD2 LEU A 47 -13.845 -7.380 -1.848 1.00 0.00 C ATOM 0 H LEU A 47 -14.414 -3.986 -5.536 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.803 -6.676 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -13.649 -4.716 -2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.369 -4.517 -3.021 1.00 0.00 H new ATOM 0 HG LEU A 47 -14.753 -5.659 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -16.403 -7.469 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -16.983 -5.947 -1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -16.497 -7.298 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.084 -8.061 -1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -13.881 -7.920 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -12.845 -6.973 -1.700 1.00 0.00 H new ATOM 670 N HIS A 48 -15.812 -7.441 -5.457 1.00 0.00 N ATOM 671 CA HIS A 48 -16.878 -8.059 -6.253 1.00 0.00 C ATOM 672 C HIS A 48 -17.687 -9.045 -5.393 1.00 0.00 C ATOM 673 O HIS A 48 -17.079 -9.797 -4.626 1.00 0.00 O ATOM 674 CB HIS A 48 -16.238 -8.785 -7.449 1.00 0.00 C ATOM 675 CG HIS A 48 -15.353 -7.938 -8.329 1.00 0.00 C ATOM 676 ND1 HIS A 48 -15.797 -7.128 -9.378 1.00 0.00 N ATOM 677 CD2 HIS A 48 -13.986 -7.917 -8.303 1.00 0.00 C ATOM 678 CE1 HIS A 48 -14.685 -6.646 -9.958 1.00 0.00 C ATOM 679 NE2 HIS A 48 -13.582 -7.106 -9.340 1.00 0.00 N ATOM 0 H HIS A 48 -15.121 -8.124 -5.147 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.563 -7.291 -6.613 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -15.650 -9.621 -7.071 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -17.034 -9.207 -8.063 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.347 -8.436 -7.604 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.678 -5.978 -10.807 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.618 -6.892 -9.594 1.00 0.00 H new ATOM 687 N LEU A 49 -19.024 -9.052 -5.504 1.00 0.00 N ATOM 688 CA LEU A 49 -19.940 -9.782 -4.608 1.00 0.00 C ATOM 689 C LEU A 49 -21.064 -10.508 -5.373 1.00 0.00 C ATOM 690 O LEU A 49 -21.284 -10.277 -6.563 1.00 0.00 O ATOM 691 CB LEU A 49 -20.562 -8.821 -3.566 1.00 0.00 C ATOM 692 CG LEU A 49 -19.582 -7.906 -2.798 1.00 0.00 C ATOM 693 CD1 LEU A 49 -19.451 -6.538 -3.491 1.00 0.00 C ATOM 694 CD2 LEU A 49 -20.061 -7.682 -1.358 1.00 0.00 C ATOM 0 H LEU A 49 -19.513 -8.538 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 49 -19.341 -10.539 -4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -21.289 -8.189 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -21.113 -9.417 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 49 -18.613 -8.404 -2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -18.756 -5.912 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -19.077 -6.678 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -20.427 -6.054 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -19.356 -7.035 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -21.044 -7.211 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -20.124 -8.640 -0.842 1.00 0.00 H new ATOM 786 N ALA A 54 -20.333 -4.164 -7.808 1.00 0.00 N ATOM 787 CA ALA A 54 -18.910 -3.994 -7.508 1.00 0.00 C ATOM 788 C ALA A 54 -18.668 -2.732 -6.654 1.00 0.00 C ATOM 789 O ALA A 54 -19.214 -1.662 -6.942 1.00 0.00 O ATOM 790 CB ALA A 54 -18.132 -3.957 -8.826 1.00 0.00 C ATOM 0 HA ALA A 54 -18.554 -4.836 -6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.070 -3.831 -8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -18.287 -4.891 -9.367 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.484 -3.123 -9.433 1.00 0.00 H new ATOM 796 N VAL A 55 -17.843 -2.859 -5.613 1.00 0.00 N ATOM 797 CA VAL A 55 -17.550 -1.805 -4.630 1.00 0.00 C ATOM 798 C VAL A 55 -16.076 -1.419 -4.707 1.00 0.00 C ATOM 799 O VAL A 55 -15.211 -2.290 -4.742 1.00 0.00 O ATOM 800 CB VAL A 55 -17.924 -2.218 -3.190 1.00 0.00 C ATOM 801 CG1 VAL A 55 -17.762 -1.019 -2.248 1.00 0.00 C ATOM 802 CG2 VAL A 55 -19.380 -2.697 -3.085 1.00 0.00 C ATOM 0 H VAL A 55 -17.342 -3.726 -5.421 1.00 0.00 H new ATOM 0 HA VAL A 55 -18.168 -0.943 -4.882 1.00 0.00 H new ATOM 0 HB VAL A 55 -17.259 -3.036 -2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -18.027 -1.315 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -16.727 -0.678 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -18.417 -0.210 -2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -19.598 -2.977 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -20.050 -1.894 -3.392 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -19.527 -3.560 -3.734 1.00 0.00 H new ATOM 812 N ARG A 56 -15.804 -0.114 -4.785 1.00 0.00 N ATOM 813 CA ARG A 56 -14.474 0.446 -5.044 1.00 0.00 C ATOM 814 C ARG A 56 -14.073 1.459 -3.964 1.00 0.00 C ATOM 815 O ARG A 56 -14.899 2.266 -3.525 1.00 0.00 O ATOM 816 CB ARG A 56 -14.441 1.105 -6.434 1.00 0.00 C ATOM 817 CG ARG A 56 -14.436 0.122 -7.624 1.00 0.00 C ATOM 818 CD ARG A 56 -15.744 -0.601 -7.980 1.00 0.00 C ATOM 819 NE ARG A 56 -16.903 0.307 -8.005 1.00 0.00 N ATOM 820 CZ ARG A 56 -17.755 0.531 -8.994 1.00 0.00 C ATOM 821 NH1 ARG A 56 -17.649 -0.041 -10.177 1.00 0.00 N ATOM 822 NH2 ARG A 56 -18.748 1.366 -8.782 1.00 0.00 N ATOM 0 H ARG A 56 -16.521 0.602 -4.667 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.753 -0.371 -5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -15.306 1.761 -6.529 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.554 1.735 -6.499 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.109 0.671 -8.507 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -13.681 -0.638 -7.424 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.638 -1.077 -8.955 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -15.925 -1.395 -7.256 1.00 0.00 H new ATOM 0 HE ARG A 56 -17.072 0.833 -7.147 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.884 -0.690 -10.363 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -18.332 0.165 -10.906 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -18.846 1.822 -7.875 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -19.420 1.558 -9.525 1.00 0.00 H new ATOM 836 N TRP A 57 -12.794 1.451 -3.571 1.00 0.00 N ATOM 837 CA TRP A 57 -12.235 2.317 -2.522 1.00 0.00 C ATOM 838 C TRP A 57 -10.886 2.937 -2.955 1.00 0.00 C ATOM 839 O TRP A 57 -9.905 2.195 -3.084 1.00 0.00 O ATOM 840 CB TRP A 57 -12.065 1.526 -1.217 1.00 0.00 C ATOM 841 CG TRP A 57 -13.343 1.060 -0.575 1.00 0.00 C ATOM 842 CD1 TRP A 57 -14.232 1.835 0.083 1.00 0.00 C ATOM 843 CD2 TRP A 57 -13.870 -0.290 -0.525 1.00 0.00 C ATOM 844 NE1 TRP A 57 -15.288 1.047 0.520 1.00 0.00 N ATOM 845 CE2 TRP A 57 -15.111 -0.274 0.193 1.00 0.00 C ATOM 846 CE3 TRP A 57 -13.413 -1.535 -0.994 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -15.860 -1.442 0.419 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -14.153 -2.705 -0.758 1.00 0.00 C ATOM 849 CH2 TRP A 57 -15.377 -2.666 -0.084 1.00 0.00 C ATOM 0 H TRP A 57 -12.100 0.827 -3.983 1.00 0.00 H new ATOM 0 HA TRP A 57 -12.936 3.135 -2.355 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -11.441 0.655 -1.418 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -11.525 2.147 -0.503 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -14.137 2.899 0.244 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -16.099 1.407 1.024 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -12.484 -1.592 -1.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -16.789 -1.402 0.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -13.769 -3.653 -1.104 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -15.950 -3.571 0.051 1.00 0.00 H new ATOM 860 N PRO A 58 -10.811 4.270 -3.160 1.00 0.00 N ATOM 861 CA PRO A 58 -9.564 4.955 -3.488 1.00 0.00 C ATOM 862 C PRO A 58 -8.607 4.932 -2.302 1.00 0.00 C ATOM 863 O PRO A 58 -9.003 5.158 -1.158 1.00 0.00 O ATOM 864 CB PRO A 58 -9.941 6.388 -3.874 1.00 0.00 C ATOM 865 CG PRO A 58 -11.279 6.614 -3.179 1.00 0.00 C ATOM 866 CD PRO A 58 -11.911 5.228 -3.113 1.00 0.00 C ATOM 0 HA PRO A 58 -9.047 4.460 -4.310 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.190 7.103 -3.538 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.028 6.501 -4.955 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.143 7.037 -2.183 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.905 7.310 -3.738 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.491 5.109 -2.198 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.596 5.074 -3.947 1.00 0.00 H new ATOM 874 N TYR A 59 -7.327 4.690 -2.590 1.00 0.00 N ATOM 875 CA TYR A 59 -6.272 4.554 -1.583 1.00 0.00 C ATOM 876 C TYR A 59 -6.079 5.808 -0.708 1.00 0.00 C ATOM 877 O TYR A 59 -5.719 5.692 0.464 1.00 0.00 O ATOM 878 CB TYR A 59 -4.966 4.198 -2.304 1.00 0.00 C ATOM 879 CG TYR A 59 -4.936 2.848 -3.015 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.353 1.675 -2.353 1.00 0.00 C ATOM 881 CD2 TYR A 59 -4.436 2.758 -4.330 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.287 0.426 -3.000 1.00 0.00 C ATOM 883 CE2 TYR A 59 -4.353 1.510 -4.977 1.00 0.00 C ATOM 884 CZ TYR A 59 -4.780 0.337 -4.314 1.00 0.00 C ATOM 885 OH TYR A 59 -4.704 -0.872 -4.932 1.00 0.00 O ATOM 0 H TYR A 59 -6.988 4.581 -3.546 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.572 3.765 -0.893 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.756 4.976 -3.038 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.155 4.220 -1.576 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.726 1.735 -1.341 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.115 3.652 -4.844 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.625 -0.464 -2.490 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.962 1.449 -5.982 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.455 -0.744 -5.871 1.00 0.00 H new ATOM 895 N LEU A 60 -6.386 6.994 -1.246 1.00 0.00 N ATOM 896 CA LEU A 60 -6.335 8.282 -0.564 1.00 0.00 C ATOM 897 C LEU A 60 -7.367 8.387 0.570 1.00 0.00 C ATOM 898 O LEU A 60 -7.094 8.980 1.613 1.00 0.00 O ATOM 899 CB LEU A 60 -6.536 9.317 -1.670 1.00 0.00 C ATOM 900 CG LEU A 60 -6.588 10.771 -1.192 1.00 0.00 C ATOM 901 CD1 LEU A 60 -5.415 11.256 -0.331 1.00 0.00 C ATOM 902 CD2 LEU A 60 -6.675 11.656 -2.432 1.00 0.00 C ATOM 0 H LEU A 60 -6.691 7.080 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.386 8.438 -0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.726 9.216 -2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.463 9.090 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.455 10.833 -0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.571 12.300 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.352 10.650 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.487 11.164 -0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.714 12.703 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.798 11.492 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.575 11.407 -2.994 1.00 0.00 H new ATOM 914 N CYS A 61 -8.540 7.780 0.378 1.00 0.00 N ATOM 915 CA CYS A 61 -9.656 7.816 1.332 1.00 0.00 C ATOM 916 C CYS A 61 -9.670 6.640 2.337 1.00 0.00 C ATOM 917 O CYS A 61 -10.588 6.550 3.158 1.00 0.00 O ATOM 918 CB CYS A 61 -10.962 7.946 0.540 1.00 0.00 C ATOM 919 SG CYS A 61 -10.839 9.332 -0.634 1.00 0.00 S ATOM 0 H CYS A 61 -8.747 7.238 -0.461 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.530 8.687 1.975 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.165 7.020 0.003 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.797 8.109 1.222 1.00 0.00 H new ATOM 0 HG CYS A 61 -11.949 9.434 -1.303 1.00 0.00 H new ATOM 925 N LEU A 62 -8.661 5.759 2.297 1.00 0.00 N ATOM 926 CA LEU A 62 -8.422 4.740 3.324 1.00 0.00 C ATOM 927 C LEU A 62 -7.700 5.387 4.513 1.00 0.00 C ATOM 928 O LEU A 62 -6.593 5.911 4.366 1.00 0.00 O ATOM 929 CB LEU A 62 -7.584 3.575 2.758 1.00 0.00 C ATOM 930 CG LEU A 62 -8.254 2.742 1.649 1.00 0.00 C ATOM 931 CD1 LEU A 62 -7.267 1.667 1.172 1.00 0.00 C ATOM 932 CD2 LEU A 62 -9.548 2.067 2.129 1.00 0.00 C ATOM 0 H LEU A 62 -7.979 5.735 1.539 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.379 4.334 3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.651 3.980 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.323 2.908 3.580 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.520 3.417 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.730 1.070 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.368 2.145 0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.000 1.021 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.983 1.492 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.324 1.401 2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.257 2.829 2.454 1.00 0.00 H new ATOM 944 N ARG A 63 -8.313 5.331 5.698 1.00 0.00 N ATOM 945 CA ARG A 63 -7.748 5.893 6.935 1.00 0.00 C ATOM 946 C ARG A 63 -6.749 4.952 7.630 1.00 0.00 C ATOM 947 O ARG A 63 -5.904 5.423 8.392 1.00 0.00 O ATOM 948 CB ARG A 63 -8.893 6.261 7.896 1.00 0.00 C ATOM 949 CG ARG A 63 -9.641 7.526 7.447 1.00 0.00 C ATOM 950 CD ARG A 63 -10.802 7.839 8.395 1.00 0.00 C ATOM 951 NE ARG A 63 -11.328 9.197 8.160 1.00 0.00 N ATOM 952 CZ ARG A 63 -12.563 9.630 8.396 1.00 0.00 C ATOM 953 NH1 ARG A 63 -13.528 8.824 8.789 1.00 0.00 N ATOM 954 NH2 ARG A 63 -12.843 10.905 8.237 1.00 0.00 N ATOM 0 H ARG A 63 -9.224 4.891 5.831 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.184 6.783 6.657 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.594 5.429 7.959 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.490 6.415 8.897 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.952 8.370 7.418 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.020 7.389 6.434 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.598 7.108 8.254 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.466 7.749 9.428 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.673 9.878 7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.340 7.830 8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.463 9.194 8.960 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.116 11.553 7.935 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.788 11.246 8.416 1.00 0.00 H new ATOM 968 N ARG A 64 -6.846 3.638 7.373 1.00 0.00 N ATOM 969 CA ARG A 64 -6.152 2.543 8.079 1.00 0.00 C ATOM 970 C ARG A 64 -6.480 1.204 7.397 1.00 0.00 C ATOM 971 O ARG A 64 -7.629 0.993 7.004 1.00 0.00 O ATOM 972 CB ARG A 64 -6.607 2.570 9.556 1.00 0.00 C ATOM 973 CG ARG A 64 -6.095 1.439 10.449 1.00 0.00 C ATOM 974 CD ARG A 64 -6.596 1.527 11.902 1.00 0.00 C ATOM 975 NE ARG A 64 -8.051 1.317 12.011 1.00 0.00 N ATOM 976 CZ ARG A 64 -9.000 2.246 12.064 1.00 0.00 C ATOM 977 NH1 ARG A 64 -8.743 3.534 11.982 1.00 0.00 N ATOM 978 NH2 ARG A 64 -10.254 1.884 12.181 1.00 0.00 N ATOM 0 H ARG A 64 -7.444 3.289 6.625 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.070 2.666 8.042 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.293 3.518 9.992 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.697 2.555 9.578 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.404 0.484 10.024 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.005 1.451 10.448 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.078 0.783 12.507 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.341 2.504 12.312 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.366 0.348 12.050 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.781 3.856 11.873 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.505 4.210 12.028 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.497 0.895 12.231 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.987 2.592 12.222 1.00 0.00 H new ATOM 992 N TYR A 65 -5.497 0.304 7.271 1.00 0.00 N ATOM 993 CA TYR A 65 -5.630 -1.018 6.625 1.00 0.00 C ATOM 994 C TYR A 65 -4.761 -2.085 7.331 1.00 0.00 C ATOM 995 O TYR A 65 -3.534 -2.091 7.234 1.00 0.00 O ATOM 996 CB TYR A 65 -5.327 -0.909 5.114 1.00 0.00 C ATOM 997 CG TYR A 65 -3.966 -0.338 4.738 1.00 0.00 C ATOM 998 CD1 TYR A 65 -3.796 1.056 4.625 1.00 0.00 C ATOM 999 CD2 TYR A 65 -2.867 -1.194 4.501 1.00 0.00 C ATOM 1000 CE1 TYR A 65 -2.534 1.593 4.312 1.00 0.00 C ATOM 1001 CE2 TYR A 65 -1.594 -0.661 4.207 1.00 0.00 C ATOM 1002 CZ TYR A 65 -1.426 0.740 4.114 1.00 0.00 C ATOM 1003 OH TYR A 65 -0.203 1.275 3.839 1.00 0.00 O ATOM 0 H TYR A 65 -4.556 0.476 7.625 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.662 -1.353 6.728 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.414 -1.903 4.675 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.097 -0.289 4.655 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.638 1.715 4.779 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.002 -2.265 4.545 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.412 2.662 4.223 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.752 -1.320 4.054 1.00 0.00 H new ATOM 0 HH TYR A 65 0.489 0.593 3.967 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.413 -2.980 8.078 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.806 -3.948 8.999 1.00 0.00 C ATOM 1015 C GLY A 66 -4.971 -5.398 8.554 1.00 0.00 C ATOM 1016 O GLY A 66 -5.799 -5.717 7.698 1.00 0.00 O ATOM 0 H GLY A 66 -6.430 -3.054 8.057 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.744 -3.726 9.099 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.251 -3.826 9.986 1.00 0.00 H new ATOM 1020 N TYR A 67 -4.191 -6.285 9.171 1.00 0.00 N ATOM 1021 CA TYR A 67 -4.078 -7.697 8.799 1.00 0.00 C ATOM 1022 C TYR A 67 -3.732 -8.616 9.993 1.00 0.00 C ATOM 1023 O TYR A 67 -3.076 -8.210 10.957 1.00 0.00 O ATOM 1024 CB TYR A 67 -3.040 -7.853 7.669 1.00 0.00 C ATOM 1025 CG TYR A 67 -1.612 -8.053 8.149 1.00 0.00 C ATOM 1026 CD1 TYR A 67 -0.894 -6.982 8.718 1.00 0.00 C ATOM 1027 CD2 TYR A 67 -1.026 -9.333 8.089 1.00 0.00 C ATOM 1028 CE1 TYR A 67 0.405 -7.185 9.219 1.00 0.00 C ATOM 1029 CE2 TYR A 67 0.274 -9.542 8.583 1.00 0.00 C ATOM 1030 CZ TYR A 67 0.998 -8.467 9.146 1.00 0.00 C ATOM 1031 OH TYR A 67 2.259 -8.670 9.620 1.00 0.00 O ATOM 0 H TYR A 67 -3.603 -6.035 9.966 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.059 -8.018 8.448 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.323 -8.702 7.047 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.076 -6.967 7.035 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.343 -6.001 8.770 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.578 -10.157 7.662 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.949 -6.362 9.659 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.719 -10.525 8.532 1.00 0.00 H new ATOM 0 HH TYR A 67 2.510 -9.609 9.492 1.00 0.00 H new ATOM 1041 N ASP A 68 -4.122 -9.886 9.892 1.00 0.00 N ATOM 1042 CA ASP A 68 -3.824 -10.956 10.852 1.00 0.00 C ATOM 1043 C ASP A 68 -3.622 -12.298 10.106 1.00 0.00 C ATOM 1044 O ASP A 68 -3.515 -12.329 8.878 1.00 0.00 O ATOM 1045 CB ASP A 68 -4.937 -10.998 11.922 1.00 0.00 C ATOM 1046 CG ASP A 68 -4.421 -11.479 13.286 1.00 0.00 C ATOM 1047 OD1 ASP A 68 -4.201 -12.704 13.443 1.00 0.00 O ATOM 1048 OD2 ASP A 68 -4.234 -10.638 14.195 1.00 0.00 O ATOM 0 H ASP A 68 -4.680 -10.215 9.104 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.888 -10.761 11.375 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.370 -10.004 12.031 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.736 -11.659 11.585 1.00 0.00 H new ATOM 1053 N SER A 69 -3.564 -13.420 10.822 1.00 0.00 N ATOM 1054 CA SER A 69 -3.241 -14.746 10.271 1.00 0.00 C ATOM 1055 C SER A 69 -4.327 -15.332 9.333 1.00 0.00 C ATOM 1056 O SER A 69 -4.082 -16.319 8.636 1.00 0.00 O ATOM 1057 CB SER A 69 -2.959 -15.707 11.437 1.00 0.00 C ATOM 1058 OG SER A 69 -2.266 -16.876 11.022 1.00 0.00 O ATOM 0 H SER A 69 -3.744 -13.438 11.826 1.00 0.00 H new ATOM 0 HA SER A 69 -2.361 -14.624 9.640 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.371 -15.190 12.196 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.901 -15.993 11.904 1.00 0.00 H new ATOM 0 HG SER A 69 -2.501 -17.083 10.094 1.00 0.00 H new ATOM 1064 N ASN A 70 -5.520 -14.726 9.299 1.00 0.00 N ATOM 1065 CA ASN A 70 -6.682 -15.150 8.500 1.00 0.00 C ATOM 1066 C ASN A 70 -7.712 -14.027 8.232 1.00 0.00 C ATOM 1067 O ASN A 70 -8.823 -14.305 7.770 1.00 0.00 O ATOM 1068 CB ASN A 70 -7.358 -16.372 9.165 1.00 0.00 C ATOM 1069 CG ASN A 70 -8.072 -16.055 10.480 1.00 0.00 C ATOM 1070 OD1 ASN A 70 -7.806 -15.069 11.159 1.00 0.00 O ATOM 1071 ND2 ASN A 70 -9.013 -16.887 10.902 1.00 0.00 N ATOM 0 H ASN A 70 -5.713 -13.890 9.851 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.297 -15.425 7.518 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.078 -16.799 8.467 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.602 -17.135 9.350 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.502 -16.702 11.778 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.248 -17.713 10.351 1.00 0.00 H new ATOM 1078 N LEU A 71 -7.378 -12.765 8.532 1.00 0.00 N ATOM 1079 CA LEU A 71 -8.296 -11.628 8.572 1.00 0.00 C ATOM 1080 C LEU A 71 -7.628 -10.376 7.990 1.00 0.00 C ATOM 1081 O LEU A 71 -6.497 -10.053 8.348 1.00 0.00 O ATOM 1082 CB LEU A 71 -8.705 -11.453 10.056 1.00 0.00 C ATOM 1083 CG LEU A 71 -9.938 -10.589 10.392 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -9.679 -9.078 10.345 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -11.119 -10.967 9.498 1.00 0.00 C ATOM 0 H LEU A 71 -6.420 -12.502 8.762 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.183 -11.796 7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.876 -12.447 10.470 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.852 -11.029 10.585 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.182 -10.811 11.431 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.596 -8.544 10.593 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.902 -8.819 11.065 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.354 -8.795 9.344 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.979 -10.347 9.750 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.850 -10.808 8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.371 -12.016 9.652 1.00 0.00 H new ATOM 1097 N PHE A 72 -8.340 -9.668 7.114 1.00 0.00 N ATOM 1098 CA PHE A 72 -7.968 -8.368 6.557 1.00 0.00 C ATOM 1099 C PHE A 72 -9.117 -7.373 6.786 1.00 0.00 C ATOM 1100 O PHE A 72 -10.284 -7.722 6.635 1.00 0.00 O ATOM 1101 CB PHE A 72 -7.646 -8.540 5.064 1.00 0.00 C ATOM 1102 CG PHE A 72 -7.472 -7.222 4.336 1.00 0.00 C ATOM 1103 CD1 PHE A 72 -6.367 -6.400 4.623 1.00 0.00 C ATOM 1104 CD2 PHE A 72 -8.462 -6.778 3.439 1.00 0.00 C ATOM 1105 CE1 PHE A 72 -6.282 -5.114 4.061 1.00 0.00 C ATOM 1106 CE2 PHE A 72 -8.359 -5.505 2.854 1.00 0.00 C ATOM 1107 CZ PHE A 72 -7.287 -4.662 3.188 1.00 0.00 C ATOM 0 H PHE A 72 -9.235 -10.002 6.756 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.081 -7.972 7.051 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.734 -9.128 4.961 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -8.446 -9.107 4.589 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.584 -6.757 5.275 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.300 -7.416 3.201 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.445 -4.474 4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.105 -5.174 2.147 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.234 -3.666 2.774 1.00 0.00 H new ATOM 1117 N SER A 73 -8.819 -6.135 7.163 1.00 0.00 N ATOM 1118 CA SER A 73 -9.817 -5.114 7.500 1.00 0.00 C ATOM 1119 C SER A 73 -9.298 -3.690 7.256 1.00 0.00 C ATOM 1120 O SER A 73 -8.093 -3.440 7.323 1.00 0.00 O ATOM 1121 CB SER A 73 -10.238 -5.286 8.964 1.00 0.00 C ATOM 1122 OG SER A 73 -11.319 -4.427 9.277 1.00 0.00 O ATOM 0 H SER A 73 -7.859 -5.801 7.246 1.00 0.00 H new ATOM 0 HA SER A 73 -10.677 -5.252 6.845 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.525 -6.322 9.146 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.394 -5.070 9.618 1.00 0.00 H new ATOM 0 HG SER A 73 -11.911 -4.350 8.500 1.00 0.00 H new ATOM 1128 N PHE A 74 -10.200 -2.742 6.984 1.00 0.00 N ATOM 1129 CA PHE A 74 -9.859 -1.357 6.651 1.00 0.00 C ATOM 1130 C PHE A 74 -10.982 -0.371 7.010 1.00 0.00 C ATOM 1131 O PHE A 74 -12.147 -0.753 7.129 1.00 0.00 O ATOM 1132 CB PHE A 74 -9.457 -1.265 5.166 1.00 0.00 C ATOM 1133 CG PHE A 74 -10.552 -1.637 4.180 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -11.485 -0.667 3.764 1.00 0.00 C ATOM 1135 CD2 PHE A 74 -10.640 -2.950 3.674 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -12.507 -1.015 2.866 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -11.649 -3.297 2.753 1.00 0.00 C ATOM 1138 CZ PHE A 74 -12.592 -2.328 2.375 1.00 0.00 C ATOM 0 H PHE A 74 -11.204 -2.919 6.989 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.006 -1.060 7.261 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.130 -0.246 4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.599 -1.916 4.996 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.414 0.345 4.136 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.928 -3.696 3.995 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.227 -0.273 2.553 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.696 -4.295 2.343 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.391 -2.595 1.700 1.00 0.00 H new ATOM 1148 N GLU A 75 -10.614 0.904 7.172 1.00 0.00 N ATOM 1149 CA GLU A 75 -11.512 2.022 7.486 1.00 0.00 C ATOM 1150 C GLU A 75 -11.558 3.038 6.336 1.00 0.00 C ATOM 1151 O GLU A 75 -10.521 3.441 5.805 1.00 0.00 O ATOM 1152 CB GLU A 75 -11.041 2.702 8.781 1.00 0.00 C ATOM 1153 CG GLU A 75 -12.005 3.799 9.262 1.00 0.00 C ATOM 1154 CD GLU A 75 -11.549 4.373 10.607 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -10.620 5.207 10.631 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -12.057 3.932 11.661 1.00 0.00 O ATOM 0 H GLU A 75 -9.641 1.198 7.084 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.521 1.633 7.623 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.934 1.950 9.563 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.054 3.137 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.056 4.596 8.520 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -13.010 3.389 9.359 1.00 0.00 H new ATOM 1163 N SER A 76 -12.759 3.491 5.981 1.00 0.00 N ATOM 1164 CA SER A 76 -13.019 4.441 4.887 1.00 0.00 C ATOM 1165 C SER A 76 -13.706 5.736 5.367 1.00 0.00 C ATOM 1166 O SER A 76 -14.418 5.747 6.378 1.00 0.00 O ATOM 1167 CB SER A 76 -13.849 3.738 3.795 1.00 0.00 C ATOM 1168 OG SER A 76 -15.068 3.195 4.283 1.00 0.00 O ATOM 0 H SER A 76 -13.611 3.200 6.460 1.00 0.00 H new ATOM 0 HA SER A 76 -12.059 4.753 4.476 1.00 0.00 H new ATOM 0 HB2 SER A 76 -14.068 4.450 2.999 1.00 0.00 H new ATOM 0 HB3 SER A 76 -13.254 2.939 3.353 1.00 0.00 H new ATOM 0 HG SER A 76 -15.801 3.820 4.101 1.00 0.00 H new ATOM 1174 N GLY A 77 -13.487 6.847 4.646 1.00 0.00 N ATOM 1175 CA GLY A 77 -14.119 8.155 4.896 1.00 0.00 C ATOM 1176 C GLY A 77 -15.447 8.339 4.150 1.00 0.00 C ATOM 1177 O GLY A 77 -15.737 7.626 3.190 1.00 0.00 O ATOM 0 H GLY A 77 -12.848 6.862 3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.292 8.268 5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.431 8.946 4.599 1.00 0.00 H new ATOM 1181 N ARG A 78 -16.259 9.333 4.537 1.00 0.00 N ATOM 1182 CA ARG A 78 -17.634 9.501 4.015 1.00 0.00 C ATOM 1183 C ARG A 78 -17.767 9.851 2.515 1.00 0.00 C ATOM 1184 O ARG A 78 -18.867 9.805 1.968 1.00 0.00 O ATOM 1185 CB ARG A 78 -18.451 10.440 4.908 1.00 0.00 C ATOM 1186 CG ARG A 78 -18.080 11.923 4.769 1.00 0.00 C ATOM 1187 CD ARG A 78 -19.083 12.728 5.592 1.00 0.00 C ATOM 1188 NE ARG A 78 -18.881 14.179 5.427 1.00 0.00 N ATOM 1189 CZ ARG A 78 -19.693 15.141 5.849 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -20.794 14.882 6.526 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -19.405 16.399 5.590 1.00 0.00 N ATOM 0 H ARG A 78 -15.988 10.043 5.217 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.061 8.499 4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.508 10.318 4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.319 10.140 5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -17.065 12.099 5.124 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.109 12.229 3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -20.097 12.465 5.290 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -18.985 12.464 6.645 1.00 0.00 H new ATOM 0 HE ARG A 78 -18.034 14.473 4.941 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -21.045 13.917 6.741 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -21.395 15.646 6.835 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -18.561 16.632 5.067 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -20.026 17.141 5.912 1.00 0.00 H new ATOM 1205 N ARG A 79 -16.649 10.161 1.850 1.00 0.00 N ATOM 1206 CA ARG A 79 -16.542 10.489 0.417 1.00 0.00 C ATOM 1207 C ARG A 79 -16.420 9.277 -0.527 1.00 0.00 C ATOM 1208 O ARG A 79 -16.536 9.431 -1.746 1.00 0.00 O ATOM 1209 CB ARG A 79 -15.365 11.459 0.233 1.00 0.00 C ATOM 1210 CG ARG A 79 -14.012 10.918 0.738 1.00 0.00 C ATOM 1211 CD ARG A 79 -12.953 12.023 0.695 1.00 0.00 C ATOM 1212 NE ARG A 79 -11.751 11.655 1.464 1.00 0.00 N ATOM 1213 CZ ARG A 79 -11.533 11.864 2.760 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -12.433 12.429 3.540 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -10.387 11.504 3.294 1.00 0.00 N ATOM 0 H ARG A 79 -15.744 10.193 2.319 1.00 0.00 H new ATOM 0 HA ARG A 79 -17.485 10.950 0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.273 11.704 -0.825 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.590 12.388 0.757 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.118 10.545 1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.695 10.076 0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.676 12.222 -0.340 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.373 12.946 1.095 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.005 11.190 0.947 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.331 12.721 3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.232 12.574 4.529 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.670 11.067 2.715 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.215 11.662 4.287 1.00 0.00 H new ATOM 1229 N CYS A 80 -16.186 8.081 0.019 1.00 0.00 N ATOM 1230 CA CYS A 80 -16.095 6.812 -0.734 1.00 0.00 C ATOM 1231 C CYS A 80 -17.448 6.373 -1.343 1.00 0.00 C ATOM 1232 O CYS A 80 -18.494 6.944 -1.028 1.00 0.00 O ATOM 1233 CB CYS A 80 -15.521 5.715 0.186 1.00 0.00 C ATOM 1234 SG CYS A 80 -13.988 6.277 0.971 1.00 0.00 S ATOM 0 H CYS A 80 -16.050 7.957 1.022 1.00 0.00 H new ATOM 0 HA CYS A 80 -15.426 6.974 -1.579 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -16.253 5.455 0.951 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -15.329 4.811 -0.393 1.00 0.00 H new ATOM 0 HG CYS A 80 -14.271 6.918 2.066 1.00 0.00 H new ATOM 1240 N GLN A 81 -17.443 5.307 -2.155 1.00 0.00 N ATOM 1241 CA GLN A 81 -18.661 4.677 -2.699 1.00 0.00 C ATOM 1242 C GLN A 81 -19.628 4.219 -1.589 1.00 0.00 C ATOM 1243 O GLN A 81 -20.842 4.400 -1.712 1.00 0.00 O ATOM 1244 CB GLN A 81 -18.250 3.495 -3.602 1.00 0.00 C ATOM 1245 CG GLN A 81 -19.446 2.637 -4.065 1.00 0.00 C ATOM 1246 CD GLN A 81 -19.109 1.627 -5.164 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -18.028 1.596 -5.736 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -20.023 0.745 -5.508 1.00 0.00 N ATOM 0 H GLN A 81 -16.583 4.850 -2.458 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.203 5.418 -3.286 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.727 3.880 -4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -17.545 2.862 -3.063 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.847 2.100 -3.205 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.235 3.298 -4.425 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -20.933 0.748 -5.048 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -19.821 0.059 -6.235 1.00 0.00 H new ATOM 1257 N THR A 82 -19.085 3.651 -0.506 1.00 0.00 N ATOM 1258 CA THR A 82 -19.829 3.180 0.676 1.00 0.00 C ATOM 1259 C THR A 82 -19.990 4.249 1.747 1.00 0.00 C ATOM 1260 O THR A 82 -20.891 4.157 2.582 1.00 0.00 O ATOM 1261 CB THR A 82 -19.098 1.984 1.286 1.00 0.00 C ATOM 1262 OG1 THR A 82 -17.740 2.322 1.491 1.00 0.00 O ATOM 1263 CG2 THR A 82 -19.157 0.793 0.336 1.00 0.00 C ATOM 0 H THR A 82 -18.080 3.500 -0.422 1.00 0.00 H new ATOM 0 HA THR A 82 -20.827 2.907 0.334 1.00 0.00 H new ATOM 0 HB THR A 82 -19.576 1.725 2.231 1.00 0.00 H new ATOM 0 HG1 THR A 82 -17.564 2.402 2.452 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.633 -0.053 0.781 1.00 0.00 H new ATOM 0 HG22 THR A 82 -20.197 0.522 0.156 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.683 1.058 -0.609 1.00 0.00 H new ATOM 1271 N GLY A 83 -19.102 5.243 1.739 1.00 0.00 N ATOM 1272 CA GLY A 83 -18.975 6.258 2.776 1.00 0.00 C ATOM 1273 C GLY A 83 -18.191 5.737 3.981 1.00 0.00 C ATOM 1274 O GLY A 83 -17.250 4.954 3.837 1.00 0.00 O ATOM 0 H GLY A 83 -18.429 5.365 0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -18.474 7.136 2.367 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -19.967 6.577 3.097 1.00 0.00 H new ATOM 1278 N GLN A 84 -18.560 6.214 5.168 1.00 0.00 N ATOM 1279 CA GLN A 84 -17.875 5.913 6.426 1.00 0.00 C ATOM 1280 C GLN A 84 -18.184 4.493 6.931 1.00 0.00 C ATOM 1281 O GLN A 84 -19.323 4.025 6.850 1.00 0.00 O ATOM 1282 CB GLN A 84 -18.210 6.988 7.481 1.00 0.00 C ATOM 1283 CG GLN A 84 -19.716 7.146 7.782 1.00 0.00 C ATOM 1284 CD GLN A 84 -20.016 8.142 8.906 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -19.313 9.121 9.129 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -21.080 7.939 9.659 1.00 0.00 N ATOM 0 H GLN A 84 -19.361 6.834 5.286 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.801 5.938 6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -17.691 6.743 8.408 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -17.818 7.947 7.141 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -20.227 7.470 6.875 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -20.128 6.173 8.050 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -21.678 7.130 9.490 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -21.305 8.591 10.411 1.00 0.00 H new ATOM 1295 N GLY A 85 -17.172 3.818 7.489 1.00 0.00 N ATOM 1296 CA GLY A 85 -17.303 2.499 8.108 1.00 0.00 C ATOM 1297 C GLY A 85 -15.986 1.733 8.177 1.00 0.00 C ATOM 1298 O GLY A 85 -14.975 2.131 7.594 1.00 0.00 O ATOM 0 H GLY A 85 -16.220 4.184 7.522 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.701 2.616 9.116 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.028 1.911 7.545 1.00 0.00 H new ATOM 1302 N ILE A 86 -16.018 0.611 8.897 1.00 0.00 N ATOM 1303 CA ILE A 86 -14.954 -0.400 8.944 1.00 0.00 C ATOM 1304 C ILE A 86 -15.521 -1.721 8.418 1.00 0.00 C ATOM 1305 O ILE A 86 -16.604 -2.134 8.844 1.00 0.00 O ATOM 1306 CB ILE A 86 -14.431 -0.556 10.387 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -13.765 0.749 10.870 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -13.437 -1.727 10.512 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -13.631 0.784 12.396 1.00 0.00 C ATOM 0 H ILE A 86 -16.815 0.370 9.487 1.00 0.00 H new ATOM 0 HA ILE A 86 -14.113 -0.093 8.322 1.00 0.00 H new ATOM 0 HB ILE A 86 -15.292 -0.774 11.019 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.779 0.844 10.416 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -14.354 1.603 10.536 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.092 -1.803 11.543 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.931 -2.655 10.225 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.584 -1.552 9.856 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.158 1.718 12.698 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.620 0.715 12.850 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.020 -0.056 12.727 1.00 0.00 H new ATOM 1321 N PHE A 87 -14.778 -2.383 7.528 1.00 0.00 N ATOM 1322 CA PHE A 87 -15.201 -3.605 6.839 1.00 0.00 C ATOM 1323 C PHE A 87 -14.115 -4.685 6.939 1.00 0.00 C ATOM 1324 O PHE A 87 -12.976 -4.458 6.525 1.00 0.00 O ATOM 1325 CB PHE A 87 -15.517 -3.272 5.369 1.00 0.00 C ATOM 1326 CG PHE A 87 -16.485 -2.120 5.148 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -17.736 -2.104 5.794 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.141 -1.065 4.282 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.634 -1.044 5.579 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.038 -0.003 4.071 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.284 0.011 4.719 1.00 0.00 C ATOM 0 H PHE A 87 -13.843 -2.077 7.260 1.00 0.00 H new ATOM 0 HA PHE A 87 -16.099 -3.999 7.315 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.582 -3.040 4.859 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -15.927 -4.163 4.894 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -18.007 -2.911 6.459 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.186 -1.071 3.778 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -19.593 -1.040 6.075 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.768 0.805 3.408 1.00 0.00 H new ATOM 0 HZ PHE A 87 -18.970 0.829 4.557 1.00 0.00 H new ATOM 1341 N ALA A 88 -14.476 -5.860 7.469 1.00 0.00 N ATOM 1342 CA ALA A 88 -13.559 -6.971 7.733 1.00 0.00 C ATOM 1343 C ALA A 88 -13.887 -8.211 6.892 1.00 0.00 C ATOM 1344 O ALA A 88 -15.054 -8.583 6.709 1.00 0.00 O ATOM 1345 CB ALA A 88 -13.590 -7.292 9.229 1.00 0.00 C ATOM 0 H ALA A 88 -15.439 -6.068 7.732 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.553 -6.668 7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.911 -8.118 9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.279 -6.414 9.796 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.602 -7.572 9.520 1.00 0.00 H new ATOM 1351 N PHE A 89 -12.831 -8.865 6.408 1.00 0.00 N ATOM 1352 CA PHE A 89 -12.900 -9.969 5.460 1.00 0.00 C ATOM 1353 C PHE A 89 -11.941 -11.096 5.850 1.00 0.00 C ATOM 1354 O PHE A 89 -10.730 -10.899 5.962 1.00 0.00 O ATOM 1355 CB PHE A 89 -12.559 -9.463 4.049 1.00 0.00 C ATOM 1356 CG PHE A 89 -13.442 -8.364 3.488 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -13.179 -7.017 3.805 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -14.487 -8.677 2.597 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -13.956 -5.992 3.241 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -15.253 -7.649 2.018 1.00 0.00 C ATOM 1361 CZ PHE A 89 -14.982 -6.307 2.334 1.00 0.00 C ATOM 0 H PHE A 89 -11.875 -8.631 6.676 1.00 0.00 H new ATOM 0 HA PHE A 89 -13.915 -10.366 5.474 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.530 -9.103 4.056 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -12.595 -10.311 3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -12.376 -6.771 4.485 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -14.701 -9.708 2.358 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -13.765 -4.962 3.504 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -16.050 -7.891 1.330 1.00 0.00 H new ATOM 0 HZ PHE A 89 -15.562 -5.518 1.880 1.00 0.00 H new ATOM 1371 N LYS A 90 -12.478 -12.304 6.008 1.00 0.00 N ATOM 1372 CA LYS A 90 -11.683 -13.520 6.162 1.00 0.00 C ATOM 1373 C LYS A 90 -10.977 -13.883 4.841 1.00 0.00 C ATOM 1374 O LYS A 90 -11.593 -13.849 3.772 1.00 0.00 O ATOM 1375 CB LYS A 90 -12.590 -14.648 6.681 1.00 0.00 C ATOM 1376 CG LYS A 90 -12.630 -14.634 8.214 1.00 0.00 C ATOM 1377 CD LYS A 90 -13.410 -15.843 8.753 1.00 0.00 C ATOM 1378 CE LYS A 90 -13.566 -15.786 10.280 1.00 0.00 C ATOM 1379 NZ LYS A 90 -12.310 -16.109 11.008 1.00 0.00 N ATOM 0 H LYS A 90 -13.485 -12.467 6.033 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.891 -13.360 6.894 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.597 -14.527 6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.222 -15.612 6.329 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.614 -14.646 8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.095 -13.712 8.561 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.395 -15.877 8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.894 -16.762 8.474 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.900 -14.789 10.568 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.346 -16.484 10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.479 -16.054 12.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.002 -17.071 10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.570 -15.429 10.742 1.00 0.00 H new ATOM 1393 N CYS A 91 -9.683 -14.213 4.926 1.00 0.00 N ATOM 1394 CA CYS A 91 -8.786 -14.498 3.798 1.00 0.00 C ATOM 1395 C CYS A 91 -7.487 -15.158 4.295 1.00 0.00 C ATOM 1396 O CYS A 91 -6.840 -14.637 5.202 1.00 0.00 O ATOM 1397 CB CYS A 91 -8.470 -13.181 3.070 1.00 0.00 C ATOM 1398 SG CYS A 91 -7.564 -13.537 1.532 1.00 0.00 S ATOM 0 H CYS A 91 -9.209 -14.293 5.826 1.00 0.00 H new ATOM 0 HA CYS A 91 -9.274 -15.190 3.111 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -9.393 -12.647 2.845 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -7.875 -12.532 3.713 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.395 -13.965 0.628 1.00 0.00 H new ATOM 1404 N SER A 92 -7.069 -16.268 3.687 1.00 0.00 N ATOM 1405 CA SER A 92 -5.825 -16.971 4.059 1.00 0.00 C ATOM 1406 C SER A 92 -4.556 -16.151 3.741 1.00 0.00 C ATOM 1407 O SER A 92 -3.528 -16.306 4.405 1.00 0.00 O ATOM 1408 CB SER A 92 -5.776 -18.334 3.345 1.00 0.00 C ATOM 1409 OG SER A 92 -4.788 -19.200 3.887 1.00 0.00 O ATOM 0 H SER A 92 -7.578 -16.711 2.922 1.00 0.00 H new ATOM 0 HA SER A 92 -5.838 -17.114 5.140 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.753 -18.813 3.417 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.575 -18.178 2.285 1.00 0.00 H new ATOM 0 HG SER A 92 -4.797 -20.051 3.402 1.00 0.00 H new ATOM 1415 N ARG A 93 -4.633 -15.253 2.746 1.00 0.00 N ATOM 1416 CA ARG A 93 -3.527 -14.444 2.221 1.00 0.00 C ATOM 1417 C ARG A 93 -3.641 -12.952 2.583 1.00 0.00 C ATOM 1418 O ARG A 93 -3.125 -12.088 1.873 1.00 0.00 O ATOM 1419 CB ARG A 93 -3.441 -14.720 0.712 1.00 0.00 C ATOM 1420 CG ARG A 93 -2.900 -16.141 0.488 1.00 0.00 C ATOM 1421 CD ARG A 93 -3.052 -16.579 -0.970 1.00 0.00 C ATOM 1422 NE ARG A 93 -4.276 -17.365 -1.209 1.00 0.00 N ATOM 1423 CZ ARG A 93 -4.494 -18.627 -0.853 1.00 0.00 C ATOM 1424 NH1 ARG A 93 -3.633 -19.329 -0.146 1.00 0.00 N ATOM 1425 NH2 ARG A 93 -5.610 -19.204 -1.227 1.00 0.00 N ATOM 0 H ARG A 93 -5.512 -15.064 2.264 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.589 -14.734 2.694 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.425 -14.616 0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.788 -13.990 0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.848 -16.179 0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.431 -16.839 1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.062 -15.697 -1.610 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.184 -17.172 -1.258 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.035 -16.891 -1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.754 -18.907 0.153 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.845 -20.295 0.103 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -6.292 -18.685 -1.781 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.797 -20.172 -0.964 1.00 0.00 H new ATOM 1439 N ALA A 94 -4.269 -12.641 3.722 1.00 0.00 N ATOM 1440 CA ALA A 94 -4.374 -11.290 4.285 1.00 0.00 C ATOM 1441 C ALA A 94 -3.028 -10.538 4.381 1.00 0.00 C ATOM 1442 O ALA A 94 -2.989 -9.336 4.129 1.00 0.00 O ATOM 1443 CB ALA A 94 -5.039 -11.411 5.661 1.00 0.00 C ATOM 0 H ALA A 94 -4.733 -13.345 4.296 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.974 -10.685 3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.132 -10.421 6.108 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.029 -11.854 5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.429 -12.044 6.305 1.00 0.00 H new ATOM 1449 N GLU A 95 -1.924 -11.236 4.671 1.00 0.00 N ATOM 1450 CA GLU A 95 -0.577 -10.657 4.697 1.00 0.00 C ATOM 1451 C GLU A 95 -0.053 -10.288 3.297 1.00 0.00 C ATOM 1452 O GLU A 95 0.579 -9.248 3.136 1.00 0.00 O ATOM 1453 CB GLU A 95 0.372 -11.635 5.402 1.00 0.00 C ATOM 1454 CG GLU A 95 1.770 -11.031 5.577 1.00 0.00 C ATOM 1455 CD GLU A 95 2.720 -11.909 6.414 1.00 0.00 C ATOM 1456 OE1 GLU A 95 2.284 -12.548 7.401 1.00 0.00 O ATOM 1457 OE2 GLU A 95 3.929 -11.960 6.083 1.00 0.00 O ATOM 0 H GLU A 95 -1.942 -12.231 4.897 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.625 -9.719 5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.036 -11.901 6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.442 -12.557 4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.212 -10.867 4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.678 -10.054 6.052 1.00 0.00 H new ATOM 1464 N GLU A 96 -0.338 -11.095 2.271 1.00 0.00 N ATOM 1465 CA GLU A 96 0.004 -10.756 0.881 1.00 0.00 C ATOM 1466 C GLU A 96 -0.787 -9.539 0.391 1.00 0.00 C ATOM 1467 O GLU A 96 -0.229 -8.691 -0.306 1.00 0.00 O ATOM 1468 CB GLU A 96 -0.229 -11.930 -0.083 1.00 0.00 C ATOM 1469 CG GLU A 96 0.650 -13.142 0.233 1.00 0.00 C ATOM 1470 CD GLU A 96 0.766 -14.073 -0.982 1.00 0.00 C ATOM 1471 OE1 GLU A 96 -0.128 -14.927 -1.177 1.00 0.00 O ATOM 1472 OE2 GLU A 96 1.762 -13.962 -1.739 1.00 0.00 O ATOM 0 H GLU A 96 -0.808 -11.994 2.375 1.00 0.00 H new ATOM 0 HA GLU A 96 1.068 -10.520 0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.277 -12.226 -0.040 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.032 -11.601 -1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.642 -12.807 0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.229 -13.690 1.076 1.00 0.00 H new ATOM 1479 N ILE A 97 -2.055 -9.403 0.798 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.849 -8.188 0.550 1.00 0.00 C ATOM 1481 C ILE A 97 -2.199 -6.982 1.242 1.00 0.00 C ATOM 1482 O ILE A 97 -1.972 -5.962 0.599 1.00 0.00 O ATOM 1483 CB ILE A 97 -4.326 -8.379 0.980 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -5.003 -9.506 0.165 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -5.091 -7.054 0.803 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -6.363 -9.945 0.725 1.00 0.00 C ATOM 0 H ILE A 97 -2.560 -10.128 1.307 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.861 -7.994 -0.522 1.00 0.00 H new ATOM 0 HB ILE A 97 -4.347 -8.670 2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.136 -9.169 -0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.338 -10.369 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.129 -7.190 1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.631 -6.283 1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.055 -6.750 -0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.775 -10.738 0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.235 -10.314 1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.046 -9.095 0.730 1.00 0.00 H new ATOM 1498 N PHE A 98 -1.844 -7.104 2.524 1.00 0.00 N ATOM 1499 CA PHE A 98 -1.206 -6.043 3.308 1.00 0.00 C ATOM 1500 C PHE A 98 0.161 -5.613 2.737 1.00 0.00 C ATOM 1501 O PHE A 98 0.472 -4.419 2.712 1.00 0.00 O ATOM 1502 CB PHE A 98 -1.131 -6.517 4.766 1.00 0.00 C ATOM 1503 CG PHE A 98 0.065 -6.043 5.559 1.00 0.00 C ATOM 1504 CD1 PHE A 98 0.048 -4.791 6.201 1.00 0.00 C ATOM 1505 CD2 PHE A 98 1.195 -6.875 5.669 1.00 0.00 C ATOM 1506 CE1 PHE A 98 1.155 -4.385 6.966 1.00 0.00 C ATOM 1507 CE2 PHE A 98 2.301 -6.466 6.427 1.00 0.00 C ATOM 1508 CZ PHE A 98 2.279 -5.226 7.084 1.00 0.00 C ATOM 0 H PHE A 98 -1.995 -7.961 3.057 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.807 -5.135 3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.035 -6.190 5.280 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.137 -7.607 4.773 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.812 -4.145 6.106 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.210 -7.832 5.168 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.144 -3.427 7.464 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.169 -7.104 6.505 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.124 -4.916 7.680 1.00 0.00 H new ATOM 1518 N ASN A 99 0.960 -6.559 2.237 1.00 0.00 N ATOM 1519 CA ASN A 99 2.240 -6.280 1.581 1.00 0.00 C ATOM 1520 C ASN A 99 2.061 -5.673 0.180 1.00 0.00 C ATOM 1521 O ASN A 99 2.836 -4.793 -0.198 1.00 0.00 O ATOM 1522 CB ASN A 99 3.090 -7.559 1.512 1.00 0.00 C ATOM 1523 CG ASN A 99 3.734 -7.933 2.845 1.00 0.00 C ATOM 1524 OD1 ASN A 99 4.198 -7.089 3.604 1.00 0.00 O ATOM 1525 ND2 ASN A 99 3.826 -9.214 3.151 1.00 0.00 N ATOM 0 H ASN A 99 0.733 -7.553 2.277 1.00 0.00 H new ATOM 0 HA ASN A 99 2.759 -5.535 2.184 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.463 -8.385 1.176 1.00 0.00 H new ATOM 0 HB3 ASN A 99 3.872 -7.427 0.764 1.00 0.00 H new ATOM 0 HD21 ASN A 99 4.282 -9.500 4.017 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.441 -9.918 2.521 1.00 0.00 H new ATOM 1532 N LEU A 100 1.034 -6.081 -0.581 1.00 0.00 N ATOM 1533 CA LEU A 100 0.764 -5.520 -1.907 1.00 0.00 C ATOM 1534 C LEU A 100 0.120 -4.131 -1.823 1.00 0.00 C ATOM 1535 O LEU A 100 0.454 -3.275 -2.635 1.00 0.00 O ATOM 1536 CB LEU A 100 -0.069 -6.517 -2.733 1.00 0.00 C ATOM 1537 CG LEU A 100 -0.288 -6.093 -4.204 1.00 0.00 C ATOM 1538 CD1 LEU A 100 1.022 -5.820 -4.964 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -1.062 -7.189 -4.950 1.00 0.00 C ATOM 0 H LEU A 100 0.374 -6.804 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 100 1.712 -5.368 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.426 -7.488 -2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.040 -6.646 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.850 -5.160 -4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.794 -5.527 -5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.568 -5.016 -4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.633 -6.723 -4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.214 -6.886 -5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.493 -8.118 -4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.029 -7.342 -4.471 1.00 0.00 H new ATOM 1551 N LEU A 101 -0.728 -3.864 -0.820 1.00 0.00 N ATOM 1552 CA LEU A 101 -1.342 -2.549 -0.606 1.00 0.00 C ATOM 1553 C LEU A 101 -0.290 -1.452 -0.511 1.00 0.00 C ATOM 1554 O LEU A 101 -0.274 -0.546 -1.337 1.00 0.00 O ATOM 1555 CB LEU A 101 -2.210 -2.559 0.670 1.00 0.00 C ATOM 1556 CG LEU A 101 -3.629 -3.089 0.439 1.00 0.00 C ATOM 1557 CD1 LEU A 101 -4.349 -3.244 1.777 1.00 0.00 C ATOM 1558 CD2 LEU A 101 -4.445 -2.159 -0.469 1.00 0.00 C ATOM 0 H LEU A 101 -1.008 -4.561 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.976 -2.338 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.721 -3.171 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.269 -1.546 1.068 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.541 -4.056 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.357 -3.621 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.801 -3.946 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.403 -2.276 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -5.445 -2.571 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.519 -1.174 -0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.952 -2.071 -1.437 1.00 0.00 H new ATOM 1570 N GLN A 102 0.617 -1.558 0.457 1.00 0.00 N ATOM 1571 CA GLN A 102 1.681 -0.572 0.672 1.00 0.00 C ATOM 1572 C GLN A 102 2.634 -0.418 -0.532 1.00 0.00 C ATOM 1573 O GLN A 102 3.195 0.660 -0.718 1.00 0.00 O ATOM 1574 CB GLN A 102 2.428 -0.883 1.980 1.00 0.00 C ATOM 1575 CG GLN A 102 3.171 -2.227 1.965 1.00 0.00 C ATOM 1576 CD GLN A 102 3.660 -2.626 3.356 1.00 0.00 C ATOM 1577 OE1 GLN A 102 4.741 -2.259 3.801 1.00 0.00 O ATOM 1578 NE2 GLN A 102 2.873 -3.375 4.103 1.00 0.00 N ATOM 0 H GLN A 102 0.637 -2.333 1.120 1.00 0.00 H new ATOM 0 HA GLN A 102 1.205 0.404 0.768 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.144 -0.085 2.177 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.714 -0.882 2.804 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.510 -3.002 1.577 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.021 -2.164 1.286 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.971 -3.686 3.742 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.166 -3.644 5.042 1.00 0.00 H new ATOM 1587 N ASP A 103 2.767 -1.436 -1.394 1.00 0.00 N ATOM 1588 CA ASP A 103 3.543 -1.361 -2.641 1.00 0.00 C ATOM 1589 C ASP A 103 2.873 -0.497 -3.727 1.00 0.00 C ATOM 1590 O ASP A 103 3.562 0.105 -4.554 1.00 0.00 O ATOM 1591 CB ASP A 103 3.792 -2.776 -3.208 1.00 0.00 C ATOM 1592 CG ASP A 103 5.282 -3.151 -3.179 1.00 0.00 C ATOM 1593 OD1 ASP A 103 6.071 -2.524 -3.925 1.00 0.00 O ATOM 1594 OD2 ASP A 103 5.661 -4.079 -2.426 1.00 0.00 O ATOM 0 H ASP A 103 2.333 -2.347 -1.243 1.00 0.00 H new ATOM 0 HA ASP A 103 4.486 -0.883 -2.377 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.223 -3.504 -2.630 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.425 -2.826 -4.233 1.00 0.00 H new ATOM 1599 N LEU A 104 1.537 -0.432 -3.718 1.00 0.00 N ATOM 1600 CA LEU A 104 0.717 0.311 -4.679 1.00 0.00 C ATOM 1601 C LEU A 104 0.334 1.697 -4.137 1.00 0.00 C ATOM 1602 O LEU A 104 0.325 2.677 -4.880 1.00 0.00 O ATOM 1603 CB LEU A 104 -0.526 -0.536 -5.021 1.00 0.00 C ATOM 1604 CG LEU A 104 -0.209 -1.931 -5.610 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -1.495 -2.754 -5.739 1.00 0.00 C ATOM 1606 CD2 LEU A 104 0.512 -1.856 -6.960 1.00 0.00 C ATOM 0 H LEU A 104 0.977 -0.914 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 104 1.290 0.489 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.123 -0.664 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.140 0.014 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 104 0.473 -2.422 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.260 -3.734 -6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.949 -2.876 -4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.193 -2.238 -6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.708 -2.864 -7.324 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.114 -1.326 -7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.456 -1.324 -6.839 1.00 0.00 H new ATOM 1618 N MET A 105 0.096 1.806 -2.828 1.00 0.00 N ATOM 1619 CA MET A 105 -0.262 3.048 -2.130 1.00 0.00 C ATOM 1620 C MET A 105 0.905 4.041 -2.058 1.00 0.00 C ATOM 1621 O MET A 105 0.678 5.248 -2.114 1.00 0.00 O ATOM 1622 CB MET A 105 -0.795 2.704 -0.729 1.00 0.00 C ATOM 1623 CG MET A 105 -2.144 1.975 -0.828 1.00 0.00 C ATOM 1624 SD MET A 105 -2.903 1.448 0.730 1.00 0.00 S ATOM 1625 CE MET A 105 -3.456 3.045 1.373 1.00 0.00 C ATOM 0 H MET A 105 0.149 1.004 -2.200 1.00 0.00 H new ATOM 0 HA MET A 105 -1.043 3.549 -2.703 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.074 2.077 -0.204 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.910 3.616 -0.144 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.847 2.629 -1.344 1.00 0.00 H new ATOM 0 HG3 MET A 105 -2.009 1.094 -1.455 1.00 0.00 H new ATOM 0 HE1 MET A 105 -4.084 2.886 2.249 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.590 3.645 1.651 1.00 0.00 H new ATOM 0 HE3 MET A 105 -4.028 3.568 0.606 1.00 0.00 H new ATOM 2271 N PHE B 2 -21.450 -5.144 6.246 1.00 0.00 N ATOM 2272 CA PHE B 2 -21.624 -5.151 7.705 1.00 0.00 C ATOM 2273 C PHE B 2 -20.792 -4.036 8.364 1.00 0.00 C ATOM 2274 O PHE B 2 -19.576 -3.979 8.175 1.00 0.00 O ATOM 2275 CB PHE B 2 -21.250 -6.534 8.259 1.00 0.00 C ATOM 2276 CG PHE B 2 -21.517 -6.683 9.749 1.00 0.00 C ATOM 2277 CD1 PHE B 2 -20.620 -6.145 10.693 1.00 0.00 C ATOM 2278 CD2 PHE B 2 -22.696 -7.311 10.195 1.00 0.00 C ATOM 2279 CE1 PHE B 2 -20.929 -6.186 12.065 1.00 0.00 C ATOM 2280 CE2 PHE B 2 -23.007 -7.345 11.565 1.00 0.00 C ATOM 2281 CZ PHE B 2 -22.130 -6.768 12.499 1.00 0.00 C ATOM 0 HA PHE B 2 -22.669 -4.953 7.942 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -21.811 -7.297 7.719 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -20.193 -6.720 8.067 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -19.693 -5.700 10.363 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -23.364 -7.769 9.481 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -20.241 -5.769 12.785 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -23.920 -7.815 11.900 1.00 0.00 H new ATOM 0 HZ PHE B 2 -22.380 -6.772 13.550 1.00 0.00 H new ATOM 2291 N ARG B 3 -21.442 -3.170 9.151 1.00 0.00 N ATOM 2292 CA ARG B 3 -20.803 -2.051 9.857 1.00 0.00 C ATOM 2293 C ARG B 3 -20.261 -2.495 11.226 1.00 0.00 C ATOM 2294 O ARG B 3 -21.018 -2.909 12.105 1.00 0.00 O ATOM 2295 CB ARG B 3 -21.785 -0.863 9.933 1.00 0.00 C ATOM 2296 CG ARG B 3 -23.058 -1.118 10.767 1.00 0.00 C ATOM 2297 CD ARG B 3 -24.137 -0.049 10.564 1.00 0.00 C ATOM 2298 NE ARG B 3 -24.824 -0.191 9.266 1.00 0.00 N ATOM 2299 CZ ARG B 3 -25.942 0.431 8.902 1.00 0.00 C ATOM 2300 NH1 ARG B 3 -26.539 1.309 9.682 1.00 0.00 N ATOM 2301 NH2 ARG B 3 -26.483 0.169 7.733 1.00 0.00 N ATOM 0 H ARG B 3 -22.446 -3.228 9.319 1.00 0.00 H new ATOM 0 HA ARG B 3 -19.930 -1.710 9.300 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -21.261 -0.005 10.353 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -22.082 -0.591 8.920 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -23.468 -2.093 10.504 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -22.791 -1.159 11.823 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -24.868 -0.116 11.370 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -23.683 0.940 10.627 1.00 0.00 H new ATOM 0 HE ARG B 3 -24.403 -0.824 8.586 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -26.145 1.530 10.596 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -27.395 1.768 9.371 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -26.046 -0.509 7.109 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -27.340 0.644 7.450 1.00 0.00 H new ATOM 2315 N LEU B 4 -18.940 -2.421 11.414 1.00 0.00 N ATOM 2316 CA LEU B 4 -18.277 -2.763 12.682 1.00 0.00 C ATOM 2317 C LEU B 4 -18.326 -1.615 13.707 1.00 0.00 C ATOM 2318 O LEU B 4 -18.521 -0.448 13.357 1.00 0.00 O ATOM 2319 CB LEU B 4 -16.836 -3.229 12.386 1.00 0.00 C ATOM 2320 CG LEU B 4 -16.748 -4.689 11.899 1.00 0.00 C ATOM 2321 CD1 LEU B 4 -15.348 -4.988 11.360 1.00 0.00 C ATOM 2322 CD2 LEU B 4 -17.029 -5.675 13.038 1.00 0.00 C ATOM 0 H LEU B 4 -18.293 -2.120 10.686 1.00 0.00 H new ATOM 0 HA LEU B 4 -18.823 -3.581 13.152 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -16.400 -2.576 11.630 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -16.235 -3.119 13.288 1.00 0.00 H new ATOM 0 HG LEU B 4 -17.496 -4.809 11.115 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -15.302 -6.023 11.020 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -15.130 -4.322 10.525 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -14.613 -4.833 12.150 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -16.959 -6.695 12.661 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -16.297 -5.531 13.833 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -18.031 -5.501 13.431 1.00 0.00 H new ATOM 2334 N ARG B 5 -18.144 -1.970 14.986 1.00 0.00 N ATOM 2335 CA ARG B 5 -18.137 -1.048 16.140 1.00 0.00 C ATOM 2336 C ARG B 5 -16.723 -0.691 16.636 1.00 0.00 C ATOM 2337 O ARG B 5 -16.559 0.243 17.422 1.00 0.00 O ATOM 2338 CB ARG B 5 -18.972 -1.650 17.278 1.00 0.00 C ATOM 2339 CG ARG B 5 -20.477 -1.724 16.965 1.00 0.00 C ATOM 2340 CD ARG B 5 -21.242 -0.399 17.115 1.00 0.00 C ATOM 2341 NE ARG B 5 -20.999 0.534 15.998 1.00 0.00 N ATOM 2342 CZ ARG B 5 -21.199 1.847 16.012 1.00 0.00 C ATOM 2343 NH1 ARG B 5 -21.708 2.470 17.055 1.00 0.00 N ATOM 2344 NH2 ARG B 5 -20.881 2.561 14.953 1.00 0.00 N ATOM 0 H ARG B 5 -17.992 -2.941 15.260 1.00 0.00 H new ATOM 0 HA ARG B 5 -18.578 -0.110 15.803 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -18.605 -2.653 17.496 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -18.826 -1.055 18.179 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -20.602 -2.084 15.944 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -20.933 -2.465 17.622 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -22.310 -0.607 17.182 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -20.951 0.079 18.051 1.00 0.00 H new ATOM 0 HE ARG B 5 -20.643 0.132 15.131 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -21.963 1.942 17.890 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -21.847 3.480 17.028 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -20.485 2.105 14.131 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -21.031 3.570 14.954 1.00 0.00 H new ATOM 2358 N HIS B 6 -15.707 -1.413 16.166 1.00 0.00 N ATOM 2359 CA HIS B 6 -14.286 -1.274 16.513 1.00 0.00 C ATOM 2360 C HIS B 6 -13.392 -1.985 15.472 1.00 0.00 C ATOM 2361 O HIS B 6 -13.886 -2.760 14.646 1.00 0.00 O ATOM 2362 CB HIS B 6 -14.042 -1.824 17.931 1.00 0.00 C ATOM 2363 CG HIS B 6 -14.276 -3.307 18.052 1.00 0.00 C ATOM 2364 ND1 HIS B 6 -13.319 -4.297 17.825 1.00 0.00 N ATOM 2365 CD2 HIS B 6 -15.461 -3.901 18.375 1.00 0.00 C ATOM 2366 CE1 HIS B 6 -13.952 -5.465 18.024 1.00 0.00 C ATOM 2367 NE2 HIS B 6 -15.240 -5.260 18.357 1.00 0.00 N ATOM 0 H HIS B 6 -15.860 -2.160 15.489 1.00 0.00 H new ATOM 0 HA HIS B 6 -14.019 -0.217 16.500 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -13.017 -1.601 18.226 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -14.696 -1.303 18.631 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -16.392 -3.402 18.601 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -13.490 -6.437 17.930 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -15.930 -5.983 18.560 1.00 0.00 H new ATOM 2375 N PHE B 7 -12.080 -1.729 15.501 1.00 0.00 N ATOM 2376 CA PHE B 7 -11.128 -2.340 14.572 1.00 0.00 C ATOM 2377 C PHE B 7 -10.674 -3.730 15.082 1.00 0.00 C ATOM 2378 O PHE B 7 -10.205 -3.819 16.221 1.00 0.00 O ATOM 2379 CB PHE B 7 -9.950 -1.375 14.353 1.00 0.00 C ATOM 2380 CG PHE B 7 -9.203 -1.613 13.058 1.00 0.00 C ATOM 2381 CD1 PHE B 7 -9.903 -1.579 11.837 1.00 0.00 C ATOM 2382 CD2 PHE B 7 -7.814 -1.831 13.056 1.00 0.00 C ATOM 2383 CE1 PHE B 7 -9.231 -1.795 10.628 1.00 0.00 C ATOM 2384 CE2 PHE B 7 -7.134 -2.019 11.841 1.00 0.00 C ATOM 2385 CZ PHE B 7 -7.845 -2.010 10.627 1.00 0.00 C ATOM 0 H PHE B 7 -11.649 -1.091 16.171 1.00 0.00 H new ATOM 0 HA PHE B 7 -11.607 -2.513 13.608 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -10.323 -0.351 14.364 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -9.254 -1.470 15.187 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -10.965 -1.385 11.833 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -7.270 -1.854 13.989 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -9.779 -1.796 9.697 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -6.065 -2.171 11.839 1.00 0.00 H new ATOM 0 HZ PHE B 7 -7.324 -2.169 9.695 1.00 0.00 H new ATOM 2395 N PRO B 8 -10.785 -4.807 14.273 1.00 0.00 N ATOM 2396 CA PRO B 8 -10.503 -6.182 14.700 1.00 0.00 C ATOM 2397 C PRO B 8 -9.005 -6.544 14.695 1.00 0.00 C ATOM 2398 O PRO B 8 -8.654 -7.664 15.067 1.00 0.00 O ATOM 2399 CB PRO B 8 -11.279 -7.060 13.711 1.00 0.00 C ATOM 2400 CG PRO B 8 -11.193 -6.255 12.417 1.00 0.00 C ATOM 2401 CD PRO B 8 -11.313 -4.817 12.913 1.00 0.00 C ATOM 0 HA PRO B 8 -10.805 -6.325 15.737 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -10.829 -8.047 13.605 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -12.311 -7.212 14.027 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -10.252 -6.427 11.894 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -11.994 -6.513 11.724 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -10.751 -4.137 12.273 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -12.351 -4.486 12.897 1.00 0.00 H new ATOM 2409 N CYS B 9 -8.123 -5.628 14.271 1.00 0.00 N ATOM 2410 CA CYS B 9 -6.699 -5.875 14.043 1.00 0.00 C ATOM 2411 C CYS B 9 -5.807 -5.071 15.015 1.00 0.00 C ATOM 2412 O CYS B 9 -6.027 -3.876 15.233 1.00 0.00 O ATOM 2413 CB CYS B 9 -6.430 -5.562 12.563 1.00 0.00 C ATOM 2414 SG CYS B 9 -4.654 -5.605 12.249 1.00 0.00 S ATOM 0 H CYS B 9 -8.393 -4.665 14.072 1.00 0.00 H new ATOM 0 HA CYS B 9 -6.442 -6.914 14.250 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -6.939 -6.288 11.929 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -6.831 -4.581 12.310 1.00 0.00 H new ATOM 0 HG CYS B 9 -4.324 -6.772 11.782 1.00 0.00 H new ATOM 2420 N GLY B 10 -4.786 -5.733 15.577 1.00 0.00 N ATOM 2421 CA GLY B 10 -3.834 -5.170 16.551 1.00 0.00 C ATOM 2422 C GLY B 10 -2.489 -4.706 15.974 1.00 0.00 C ATOM 2423 O GLY B 10 -1.695 -4.124 16.712 1.00 0.00 O ATOM 0 H GLY B 10 -4.591 -6.710 15.360 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -4.308 -4.323 17.047 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -3.640 -5.920 17.318 1.00 0.00 H new ATOM 2427 N ASN B 11 -2.219 -4.942 14.684 1.00 0.00 N ATOM 2428 CA ASN B 11 -0.954 -4.608 14.006 1.00 0.00 C ATOM 2429 C ASN B 11 -1.236 -4.000 12.619 1.00 0.00 C ATOM 2430 O ASN B 11 -1.713 -4.695 11.723 1.00 0.00 O ATOM 2431 CB ASN B 11 -0.086 -5.873 13.884 1.00 0.00 C ATOM 2432 CG ASN B 11 0.414 -6.375 15.234 1.00 0.00 C ATOM 2433 OD1 ASN B 11 1.258 -5.756 15.873 1.00 0.00 O ATOM 2434 ND2 ASN B 11 -0.078 -7.510 15.704 1.00 0.00 N ATOM 0 H ASN B 11 -2.895 -5.385 14.061 1.00 0.00 H new ATOM 0 HA ASN B 11 -0.413 -3.867 14.595 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -0.664 -6.660 13.400 1.00 0.00 H new ATOM 0 HB3 ASN B 11 0.768 -5.662 13.240 1.00 0.00 H new ATOM 0 HD21 ASN B 11 0.245 -7.873 16.601 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -0.780 -8.022 15.169 1.00 0.00 H new ATOM 2441 N VAL B 12 -0.947 -2.708 12.431 1.00 0.00 N ATOM 2442 CA VAL B 12 -1.386 -1.946 11.250 1.00 0.00 C ATOM 2443 C VAL B 12 -0.396 -0.855 10.831 1.00 0.00 C ATOM 2444 O VAL B 12 0.159 -0.135 11.659 1.00 0.00 O ATOM 2445 CB VAL B 12 -2.817 -1.393 11.470 1.00 0.00 C ATOM 2446 CG1 VAL B 12 -2.984 -0.503 12.714 1.00 0.00 C ATOM 2447 CG2 VAL B 12 -3.300 -0.621 10.242 1.00 0.00 C ATOM 0 H VAL B 12 -0.401 -2.157 13.093 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.413 -2.638 10.409 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.427 -2.281 11.637 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.018 -0.164 12.783 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.729 -1.074 13.607 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.324 0.361 12.635 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.307 -0.244 10.422 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.628 0.215 10.050 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.311 -1.284 9.377 1.00 0.00 H new ATOM 2457 N ASN B 13 -0.203 -0.755 9.513 1.00 0.00 N ATOM 2458 CA ASN B 13 0.596 0.251 8.818 1.00 0.00 C ATOM 2459 C ASN B 13 -0.322 1.356 8.258 1.00 0.00 C ATOM 2460 O ASN B 13 -1.173 1.094 7.407 1.00 0.00 O ATOM 2461 CB ASN B 13 1.370 -0.481 7.704 1.00 0.00 C ATOM 2462 CG ASN B 13 2.197 0.421 6.790 1.00 0.00 C ATOM 2463 OD1 ASN B 13 2.489 1.573 7.090 1.00 0.00 O ATOM 2464 ND2 ASN B 13 2.604 -0.098 5.644 1.00 0.00 N ATOM 0 H ASN B 13 -0.629 -1.417 8.864 1.00 0.00 H new ATOM 0 HA ASN B 13 1.300 0.743 9.489 1.00 0.00 H new ATOM 0 HB2 ASN B 13 2.034 -1.212 8.165 1.00 0.00 H new ATOM 0 HB3 ASN B 13 0.658 -1.037 7.093 1.00 0.00 H new ATOM 0 HD21 ASN B 13 3.166 0.461 5.002 1.00 0.00 H new ATOM 0 HD22 ASN B 13 2.356 -1.058 5.402 1.00 0.00 H new ATOM 2471 N TYR B 14 -0.156 2.596 8.729 1.00 0.00 N ATOM 2472 CA TYR B 14 -0.872 3.768 8.209 1.00 0.00 C ATOM 2473 C TYR B 14 -0.108 4.382 7.017 1.00 0.00 C ATOM 2474 O TYR B 14 1.002 4.898 7.176 1.00 0.00 O ATOM 2475 CB TYR B 14 -1.070 4.793 9.334 1.00 0.00 C ATOM 2476 CG TYR B 14 -1.816 4.283 10.556 1.00 0.00 C ATOM 2477 CD1 TYR B 14 -3.223 4.333 10.605 1.00 0.00 C ATOM 2478 CD2 TYR B 14 -1.098 3.798 11.670 1.00 0.00 C ATOM 2479 CE1 TYR B 14 -3.901 3.957 11.777 1.00 0.00 C ATOM 2480 CE2 TYR B 14 -1.778 3.370 12.827 1.00 0.00 C ATOM 2481 CZ TYR B 14 -3.186 3.458 12.887 1.00 0.00 C ATOM 2482 OH TYR B 14 -3.861 3.068 14.005 1.00 0.00 O ATOM 0 H TYR B 14 0.486 2.818 9.490 1.00 0.00 H new ATOM 0 HA TYR B 14 -1.853 3.460 7.847 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -0.091 5.153 9.651 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.610 5.650 8.931 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -3.781 4.661 9.741 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -0.019 3.755 11.635 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -4.976 4.050 11.829 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -1.224 2.976 13.666 1.00 0.00 H new ATOM 0 HH TYR B 14 -3.224 2.748 14.677 1.00 0.00 H new