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 65 TYR OH : rot 167:sc= 0 USER MOD Set 1.2: A 102 GLN : amide:sc= 1.01 K(o=-0.054,f=-1.1) USER MOD Set 1.3: B 13 ASN : amide:sc= -1.06 K(o=-0.054,f=-3.9!) USER MOD Set 2.1: A 61 CYS SG : rot -38:sc= 0.526 USER MOD Set 2.2: A 76 SER OG : rot -126:sc= 0.698 USER MOD Set 2.3: A 80 CYS SG : rot -78:sc= 1.35 USER MOD Set 2.4: A 82 THR OG1 : rot 136:sc= 0.989 USER MOD Set 3.1: A 17 HIS : no HD1:sc= -0.723 K(o=-0.72,f=-5.2!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= 1.1 (180deg=1.06) 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= 0.591 F(o=-2.4,f=0.59) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00208 USER MOD Single : A 38 MET CE :methyl -163:sc= -0.353 (180deg=-0.961) USER MOD Single : A 41 THR OG1 : rot -52:sc= 0.9 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.998 K(o=1,f=-3!) USER MOD Single : A 59 TYR OH : rot 151:sc= 1.21 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.377 X(o=-0.38,f=-0.64) USER MOD Single : A 73 SER OG : rot 38:sc= 0.236 USER MOD Single : A 81 GLN : amide:sc= 0.457 K(o=0.46,f=-2.4!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot 150:sc= 0.421 USER MOD Single : A 92 SER OG : rot -33:sc= 0.0246 USER MOD Single : A 99 ASN : amide:sc= 0.816 K(o=0.82,f=0) USER MOD Single : A 105 MET CE :methyl -163:sc=-0.000444 (180deg=-0.642) USER MOD Single : B 6 HIS : no HD1:sc= -0.135 X(o=-0.13,f=-0.13) USER MOD Single : B 9 CYS SG : rot -80:sc= -0.208 USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N HIS A 17 -3.514 -16.222 -5.578 1.00 0.00 N ATOM 203 CA HIS A 17 -2.958 -15.351 -6.629 1.00 0.00 C ATOM 204 C HIS A 17 -2.146 -14.159 -6.047 1.00 0.00 C ATOM 205 O HIS A 17 -2.522 -13.630 -4.994 1.00 0.00 O ATOM 206 CB HIS A 17 -4.107 -14.851 -7.526 1.00 0.00 C ATOM 207 CG HIS A 17 -3.657 -14.311 -8.851 1.00 0.00 C ATOM 208 ND1 HIS A 17 -3.324 -12.979 -9.101 1.00 0.00 N ATOM 209 CD2 HIS A 17 -3.413 -15.055 -9.967 1.00 0.00 C ATOM 210 CE1 HIS A 17 -2.901 -12.955 -10.378 1.00 0.00 C ATOM 211 NE2 HIS A 17 -2.936 -14.185 -10.920 1.00 0.00 N ATOM 0 HA HIS A 17 -2.254 -15.937 -7.221 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.804 -15.672 -7.698 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.656 -14.073 -6.996 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.564 -16.118 -10.081 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -2.577 -12.066 -10.898 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -2.658 -14.430 -11.870 1.00 0.00 H new ATOM 219 N PRO A 18 -1.055 -13.708 -6.704 1.00 0.00 N ATOM 220 CA PRO A 18 -0.233 -12.600 -6.217 1.00 0.00 C ATOM 221 C PRO A 18 -0.909 -11.217 -6.253 1.00 0.00 C ATOM 222 O PRO A 18 -0.365 -10.305 -5.634 1.00 0.00 O ATOM 223 CB PRO A 18 1.040 -12.620 -7.074 1.00 0.00 C ATOM 224 CG PRO A 18 0.578 -13.275 -8.372 1.00 0.00 C ATOM 225 CD PRO A 18 -0.408 -14.319 -7.861 1.00 0.00 C ATOM 0 HA PRO A 18 -0.034 -12.748 -5.156 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.425 -11.615 -7.245 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.837 -13.190 -6.597 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.104 -12.560 -9.045 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.405 -13.727 -8.919 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.138 -14.578 -8.628 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.104 -15.240 -7.584 1.00 0.00 H new ATOM 233 N THR A 19 -2.058 -11.037 -6.934 1.00 0.00 N ATOM 234 CA THR A 19 -2.733 -9.720 -7.066 1.00 0.00 C ATOM 235 C THR A 19 -4.251 -9.740 -6.880 1.00 0.00 C ATOM 236 O THR A 19 -4.833 -8.692 -6.597 1.00 0.00 O ATOM 237 CB THR A 19 -2.388 -9.032 -8.394 1.00 0.00 C ATOM 238 OG1 THR A 19 -2.898 -9.779 -9.473 1.00 0.00 O ATOM 239 CG2 THR A 19 -0.886 -8.871 -8.612 1.00 0.00 C ATOM 0 H THR A 19 -2.547 -11.795 -7.409 1.00 0.00 H new ATOM 0 HA THR A 19 -2.333 -9.145 -6.231 1.00 0.00 H new ATOM 0 HB THR A 19 -2.839 -8.041 -8.344 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.674 -9.331 -10.316 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.708 -8.378 -9.568 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.464 -8.267 -7.808 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.412 -9.852 -8.616 1.00 0.00 H new ATOM 247 N LYS A 20 -4.896 -10.906 -6.991 1.00 0.00 N ATOM 248 CA LYS A 20 -6.320 -11.104 -6.670 1.00 0.00 C ATOM 249 C LYS A 20 -6.460 -12.011 -5.434 1.00 0.00 C ATOM 250 O LYS A 20 -5.639 -12.903 -5.214 1.00 0.00 O ATOM 251 CB LYS A 20 -7.065 -11.709 -7.877 1.00 0.00 C ATOM 252 CG LYS A 20 -7.345 -10.759 -9.054 1.00 0.00 C ATOM 253 CD LYS A 20 -6.087 -10.451 -9.878 1.00 0.00 C ATOM 254 CE LYS A 20 -6.395 -10.050 -11.324 1.00 0.00 C ATOM 255 NZ LYS A 20 -6.832 -8.636 -11.453 1.00 0.00 N ATOM 0 H LYS A 20 -4.437 -11.758 -7.313 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.768 -10.137 -6.444 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.484 -12.552 -8.250 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.017 -12.108 -7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.100 -11.203 -9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.762 -9.827 -8.672 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.532 -9.646 -9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.439 -11.328 -9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.507 -10.207 -11.936 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.174 -10.703 -11.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.879 -8.378 -12.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.772 -8.522 -11.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.152 -8.017 -10.968 1.00 0.00 H new ATOM 269 N PHE A 21 -7.504 -11.815 -4.626 1.00 0.00 N ATOM 270 CA PHE A 21 -7.657 -12.518 -3.349 1.00 0.00 C ATOM 271 C PHE A 21 -9.128 -12.854 -3.098 1.00 0.00 C ATOM 272 O PHE A 21 -9.963 -11.966 -2.947 1.00 0.00 O ATOM 273 CB PHE A 21 -7.056 -11.656 -2.223 1.00 0.00 C ATOM 274 CG PHE A 21 -5.622 -11.200 -2.454 1.00 0.00 C ATOM 275 CD1 PHE A 21 -4.549 -12.047 -2.123 1.00 0.00 C ATOM 276 CD2 PHE A 21 -5.359 -9.939 -3.028 1.00 0.00 C ATOM 277 CE1 PHE A 21 -3.222 -11.629 -2.330 1.00 0.00 C ATOM 278 CE2 PHE A 21 -4.031 -9.525 -3.248 1.00 0.00 C ATOM 279 CZ PHE A 21 -2.964 -10.368 -2.892 1.00 0.00 C ATOM 0 H PHE A 21 -8.264 -11.168 -4.836 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.118 -13.465 -3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.683 -10.775 -2.087 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.095 -12.222 -1.293 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.745 -13.024 -1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.178 -9.289 -3.299 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.402 -12.277 -2.057 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.832 -8.560 -3.690 1.00 0.00 H new ATOM 0 HZ PHE A 21 -1.945 -10.046 -3.051 1.00 0.00 H new ATOM 289 N LYS A 22 -9.466 -14.144 -3.046 1.00 0.00 N ATOM 290 CA LYS A 22 -10.814 -14.599 -2.683 1.00 0.00 C ATOM 291 C LYS A 22 -11.071 -14.361 -1.182 1.00 0.00 C ATOM 292 O LYS A 22 -10.210 -14.650 -0.346 1.00 0.00 O ATOM 293 CB LYS A 22 -10.977 -16.070 -3.102 1.00 0.00 C ATOM 294 CG LYS A 22 -11.155 -16.170 -4.627 1.00 0.00 C ATOM 295 CD LYS A 22 -10.983 -17.607 -5.137 1.00 0.00 C ATOM 296 CE LYS A 22 -11.130 -17.701 -6.664 1.00 0.00 C ATOM 297 NZ LYS A 22 -12.542 -17.553 -7.114 1.00 0.00 N ATOM 0 H LYS A 22 -8.816 -14.903 -3.253 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.570 -14.022 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.103 -16.643 -2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.840 -16.506 -2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.145 -15.805 -4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.430 -15.522 -5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.001 -17.980 -4.844 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.723 -18.251 -4.662 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.521 -16.928 -7.132 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.743 -18.662 -7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.585 -17.624 -8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.122 -18.306 -6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.906 -16.626 -6.815 1.00 0.00 H new ATOM 311 N VAL A 23 -12.238 -13.809 -0.849 1.00 0.00 N ATOM 312 CA VAL A 23 -12.583 -13.309 0.496 1.00 0.00 C ATOM 313 C VAL A 23 -14.044 -13.591 0.861 1.00 0.00 C ATOM 314 O VAL A 23 -14.873 -13.851 -0.012 1.00 0.00 O ATOM 315 CB VAL A 23 -12.299 -11.791 0.653 1.00 0.00 C ATOM 316 CG1 VAL A 23 -10.806 -11.452 0.564 1.00 0.00 C ATOM 317 CG2 VAL A 23 -13.078 -10.905 -0.334 1.00 0.00 C ATOM 0 H VAL A 23 -12.996 -13.691 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.938 -13.856 1.183 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.655 -11.564 1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.669 -10.377 0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.267 -11.974 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.419 -11.764 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -12.826 -9.859 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.813 -11.178 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.148 -11.049 -0.186 1.00 0.00 H new ATOM 327 N THR A 24 -14.363 -13.487 2.156 1.00 0.00 N ATOM 328 CA THR A 24 -15.728 -13.602 2.687 1.00 0.00 C ATOM 329 C THR A 24 -15.966 -12.481 3.684 1.00 0.00 C ATOM 330 O THR A 24 -15.268 -12.389 4.686 1.00 0.00 O ATOM 331 CB THR A 24 -15.932 -14.975 3.340 1.00 0.00 C ATOM 332 OG1 THR A 24 -15.630 -15.995 2.411 1.00 0.00 O ATOM 333 CG2 THR A 24 -17.373 -15.177 3.809 1.00 0.00 C ATOM 0 H THR A 24 -13.665 -13.317 2.880 1.00 0.00 H new ATOM 0 HA THR A 24 -16.449 -13.513 1.874 1.00 0.00 H new ATOM 0 HB THR A 24 -15.269 -15.020 4.204 1.00 0.00 H new ATOM 0 HG1 THR A 24 -15.760 -16.870 2.832 1.00 0.00 H new ATOM 0 HG21 THR A 24 -17.473 -16.162 4.265 1.00 0.00 H new ATOM 0 HG22 THR A 24 -17.628 -14.411 4.541 1.00 0.00 H new ATOM 0 HG23 THR A 24 -18.047 -15.102 2.956 1.00 0.00 H new ATOM 341 N ASN A 25 -16.953 -11.630 3.415 1.00 0.00 N ATOM 342 CA ASN A 25 -17.393 -10.567 4.322 1.00 0.00 C ATOM 343 C ASN A 25 -17.933 -11.184 5.624 1.00 0.00 C ATOM 344 O ASN A 25 -18.856 -12.005 5.566 1.00 0.00 O ATOM 345 CB ASN A 25 -18.459 -9.729 3.587 1.00 0.00 C ATOM 346 CG ASN A 25 -19.055 -8.614 4.440 1.00 0.00 C ATOM 347 OD1 ASN A 25 -19.886 -8.954 5.406 1.00 0.00 O flip ATOM 348 ND2 ASN A 25 -18.810 -7.432 4.241 1.00 0.00 N flip ATOM 0 H ASN A 25 -17.482 -11.659 2.543 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.565 -9.916 4.601 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -18.013 -9.292 2.693 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.261 -10.388 3.254 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -18.168 -7.163 3.495 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -19.248 -6.716 4.821 1.00 0.00 H new ATOM 355 N VAL A 26 -17.418 -10.751 6.781 1.00 0.00 N ATOM 356 CA VAL A 26 -17.855 -11.253 8.097 1.00 0.00 C ATOM 357 C VAL A 26 -18.313 -10.137 9.038 1.00 0.00 C ATOM 358 O VAL A 26 -17.896 -8.986 8.904 1.00 0.00 O ATOM 359 CB VAL A 26 -16.806 -12.152 8.792 1.00 0.00 C ATOM 360 CG1 VAL A 26 -16.468 -13.388 7.943 1.00 0.00 C ATOM 361 CG2 VAL A 26 -15.511 -11.417 9.175 1.00 0.00 C ATOM 0 H VAL A 26 -16.686 -10.043 6.835 1.00 0.00 H new ATOM 0 HA VAL A 26 -18.720 -11.879 7.877 1.00 0.00 H new ATOM 0 HB VAL A 26 -17.280 -12.467 9.722 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.728 -13.996 8.464 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -17.371 -13.976 7.781 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -16.065 -13.070 6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.826 -12.114 9.657 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -15.044 -11.011 8.278 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.744 -10.603 9.862 1.00 0.00 H new ATOM 371 N ASP A 27 -19.196 -10.492 9.974 1.00 0.00 N ATOM 372 CA ASP A 27 -19.829 -9.559 10.914 1.00 0.00 C ATOM 373 C ASP A 27 -19.076 -9.394 12.258 1.00 0.00 C ATOM 374 O ASP A 27 -17.954 -9.871 12.434 1.00 0.00 O ATOM 375 CB ASP A 27 -21.291 -9.992 11.121 1.00 0.00 C ATOM 376 CG ASP A 27 -21.471 -11.060 12.205 1.00 0.00 C ATOM 377 OD1 ASP A 27 -20.577 -11.926 12.361 1.00 0.00 O ATOM 378 OD2 ASP A 27 -22.479 -10.979 12.940 1.00 0.00 O ATOM 0 H ASP A 27 -19.499 -11.457 10.104 1.00 0.00 H new ATOM 0 HA ASP A 27 -19.789 -8.564 10.470 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -21.886 -9.117 11.383 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -21.684 -10.374 10.179 1.00 0.00 H new ATOM 383 N ASP A 28 -19.724 -8.740 13.230 1.00 0.00 N ATOM 384 CA ASP A 28 -19.227 -8.535 14.600 1.00 0.00 C ATOM 385 C ASP A 28 -19.027 -9.835 15.408 1.00 0.00 C ATOM 386 O ASP A 28 -18.221 -9.858 16.339 1.00 0.00 O ATOM 387 CB ASP A 28 -20.212 -7.603 15.323 1.00 0.00 C ATOM 388 CG ASP A 28 -19.686 -7.118 16.685 1.00 0.00 C ATOM 389 OD1 ASP A 28 -18.749 -6.285 16.701 1.00 0.00 O ATOM 390 OD2 ASP A 28 -20.237 -7.541 17.728 1.00 0.00 O ATOM 0 H ASP A 28 -20.643 -8.323 13.080 1.00 0.00 H new ATOM 0 HA ASP A 28 -18.232 -8.096 14.526 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -20.419 -6.740 14.690 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -21.158 -8.125 15.469 1.00 0.00 H new ATOM 395 N GLU A 29 -19.712 -10.924 15.037 1.00 0.00 N ATOM 396 CA GLU A 29 -19.540 -12.261 15.625 1.00 0.00 C ATOM 397 C GLU A 29 -18.535 -13.124 14.837 1.00 0.00 C ATOM 398 O GLU A 29 -18.218 -14.242 15.254 1.00 0.00 O ATOM 399 CB GLU A 29 -20.886 -13.005 15.724 1.00 0.00 C ATOM 400 CG GLU A 29 -22.021 -12.178 16.341 1.00 0.00 C ATOM 401 CD GLU A 29 -23.135 -13.085 16.888 1.00 0.00 C ATOM 402 OE1 GLU A 29 -24.065 -13.449 16.129 1.00 0.00 O ATOM 403 OE2 GLU A 29 -23.094 -13.438 18.091 1.00 0.00 O ATOM 0 H GLU A 29 -20.419 -10.901 14.302 1.00 0.00 H new ATOM 0 HA GLU A 29 -19.140 -12.103 16.627 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -21.186 -13.324 14.726 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -20.746 -13.908 16.318 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -21.626 -11.557 17.145 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -22.433 -11.504 15.590 1.00 0.00 H new ATOM 410 N GLY A 30 -18.044 -12.637 13.689 1.00 0.00 N ATOM 411 CA GLY A 30 -17.196 -13.383 12.761 1.00 0.00 C ATOM 412 C GLY A 30 -17.959 -14.381 11.882 1.00 0.00 C ATOM 413 O GLY A 30 -17.310 -15.237 11.280 1.00 0.00 O ATOM 0 H GLY A 30 -18.234 -11.685 13.375 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -16.670 -12.677 12.118 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.438 -13.921 13.330 1.00 0.00 H new ATOM 417 N VAL A 31 -19.294 -14.299 11.790 1.00 0.00 N ATOM 418 CA VAL A 31 -20.085 -15.173 10.902 1.00 0.00 C ATOM 419 C VAL A 31 -20.071 -14.670 9.465 1.00 0.00 C ATOM 420 O VAL A 31 -19.954 -13.474 9.204 1.00 0.00 O ATOM 421 CB VAL A 31 -21.544 -15.436 11.329 1.00 0.00 C ATOM 422 CG1 VAL A 31 -21.589 -16.285 12.603 1.00 0.00 C ATOM 423 CG2 VAL A 31 -22.442 -14.204 11.451 1.00 0.00 C ATOM 0 H VAL A 31 -19.854 -13.633 12.322 1.00 0.00 H new ATOM 0 HA VAL A 31 -19.574 -16.132 10.985 1.00 0.00 H new ATOM 0 HB VAL A 31 -21.976 -15.990 10.496 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -22.627 -16.459 12.888 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -21.097 -17.241 12.421 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -21.075 -15.760 13.408 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -23.442 -14.512 11.757 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -22.028 -13.524 12.196 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -22.497 -13.697 10.488 1.00 0.00 H new ATOM 433 N GLU A 32 -20.201 -15.617 8.542 1.00 0.00 N ATOM 434 CA GLU A 32 -20.030 -15.409 7.108 1.00 0.00 C ATOM 435 C GLU A 32 -21.350 -14.987 6.453 1.00 0.00 C ATOM 436 O GLU A 32 -22.350 -15.706 6.544 1.00 0.00 O ATOM 437 CB GLU A 32 -19.497 -16.705 6.470 1.00 0.00 C ATOM 438 CG GLU A 32 -18.106 -17.112 6.984 1.00 0.00 C ATOM 439 CD GLU A 32 -17.727 -18.518 6.494 1.00 0.00 C ATOM 440 OE1 GLU A 32 -18.213 -19.514 7.081 1.00 0.00 O ATOM 441 OE2 GLU A 32 -16.936 -18.641 5.530 1.00 0.00 O ATOM 0 H GLU A 32 -20.436 -16.581 8.779 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.312 -14.604 6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -20.200 -17.514 6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -19.453 -16.577 5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.363 -16.391 6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -18.096 -17.088 8.074 1.00 0.00 H new ATOM 448 N LEU A 33 -21.354 -13.822 5.791 1.00 0.00 N ATOM 449 CA LEU A 33 -22.564 -13.239 5.192 1.00 0.00 C ATOM 450 C LEU A 33 -22.592 -13.421 3.669 1.00 0.00 C ATOM 451 O LEU A 33 -23.561 -13.955 3.125 1.00 0.00 O ATOM 452 CB LEU A 33 -22.670 -11.746 5.554 1.00 0.00 C ATOM 453 CG LEU A 33 -22.482 -11.374 7.038 1.00 0.00 C ATOM 454 CD1 LEU A 33 -22.796 -9.883 7.177 1.00 0.00 C ATOM 455 CD2 LEU A 33 -23.376 -12.173 7.994 1.00 0.00 C ATOM 0 H LEU A 33 -20.517 -13.256 5.655 1.00 0.00 H new ATOM 0 HA LEU A 33 -23.423 -13.770 5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.927 -11.202 4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -23.649 -11.388 5.236 1.00 0.00 H new ATOM 0 HG LEU A 33 -21.456 -11.613 7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -22.674 -9.581 8.217 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -22.115 -9.308 6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -23.823 -9.697 6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -23.187 -11.856 9.020 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -24.423 -11.996 7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -23.154 -13.236 7.897 1.00 0.00 H new ATOM 467 N GLY A 34 -21.528 -12.972 2.993 1.00 0.00 N ATOM 468 CA GLY A 34 -21.375 -13.029 1.530 1.00 0.00 C ATOM 469 C GLY A 34 -19.938 -13.236 1.051 1.00 0.00 C ATOM 470 O GLY A 34 -18.990 -12.741 1.658 1.00 0.00 O ATOM 0 H GLY A 34 -20.726 -12.547 3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.994 -13.839 1.144 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -21.758 -12.103 1.101 1.00 0.00 H new ATOM 474 N SER A 35 -19.775 -13.945 -0.065 1.00 0.00 N ATOM 475 CA SER A 35 -18.485 -14.233 -0.714 1.00 0.00 C ATOM 476 C SER A 35 -18.141 -13.218 -1.823 1.00 0.00 C ATOM 477 O SER A 35 -19.021 -12.741 -2.548 1.00 0.00 O ATOM 478 CB SER A 35 -18.505 -15.667 -1.274 1.00 0.00 C ATOM 479 OG SER A 35 -19.635 -15.918 -2.103 1.00 0.00 O ATOM 0 H SER A 35 -20.565 -14.353 -0.566 1.00 0.00 H new ATOM 0 HA SER A 35 -17.703 -14.142 0.040 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.594 -15.842 -1.846 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.502 -16.376 -0.446 1.00 0.00 H new ATOM 0 HG SER A 35 -19.600 -16.840 -2.434 1.00 0.00 H new ATOM 485 N GLY A 36 -16.848 -12.893 -1.969 1.00 0.00 N ATOM 486 CA GLY A 36 -16.337 -11.910 -2.932 1.00 0.00 C ATOM 487 C GLY A 36 -14.884 -12.130 -3.356 1.00 0.00 C ATOM 488 O GLY A 36 -14.166 -12.950 -2.777 1.00 0.00 O ATOM 0 H GLY A 36 -16.111 -13.318 -1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -16.968 -11.930 -3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.428 -10.914 -2.498 1.00 0.00 H new ATOM 492 N VAL A 37 -14.444 -11.363 -4.354 1.00 0.00 N ATOM 493 CA VAL A 37 -13.039 -11.273 -4.784 1.00 0.00 C ATOM 494 C VAL A 37 -12.539 -9.852 -4.524 1.00 0.00 C ATOM 495 O VAL A 37 -13.091 -8.885 -5.046 1.00 0.00 O ATOM 496 CB VAL A 37 -12.854 -11.655 -6.273 1.00 0.00 C ATOM 497 CG1 VAL A 37 -11.382 -11.543 -6.708 1.00 0.00 C ATOM 498 CG2 VAL A 37 -13.339 -13.088 -6.547 1.00 0.00 C ATOM 0 H VAL A 37 -15.067 -10.770 -4.903 1.00 0.00 H new ATOM 0 HA VAL A 37 -12.454 -11.990 -4.208 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.454 -10.950 -6.849 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.291 -11.819 -7.759 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.039 -10.517 -6.571 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.772 -12.213 -6.103 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.195 -13.325 -7.601 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.769 -13.788 -5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.397 -13.168 -6.298 1.00 0.00 H new ATOM 508 N MET A 38 -11.487 -9.746 -3.713 1.00 0.00 N ATOM 509 CA MET A 38 -10.749 -8.517 -3.434 1.00 0.00 C ATOM 510 C MET A 38 -9.653 -8.316 -4.485 1.00 0.00 C ATOM 511 O MET A 38 -8.928 -9.246 -4.845 1.00 0.00 O ATOM 512 CB MET A 38 -10.179 -8.588 -2.007 1.00 0.00 C ATOM 513 CG MET A 38 -9.603 -7.247 -1.537 1.00 0.00 C ATOM 514 SD MET A 38 -10.846 -5.947 -1.313 1.00 0.00 S ATOM 515 CE MET A 38 -11.422 -6.376 0.349 1.00 0.00 C ATOM 0 H MET A 38 -11.110 -10.550 -3.211 1.00 0.00 H new ATOM 0 HA MET A 38 -11.412 -7.654 -3.492 1.00 0.00 H new ATOM 0 HB2 MET A 38 -10.965 -8.903 -1.321 1.00 0.00 H new ATOM 0 HB3 MET A 38 -9.399 -9.348 -1.968 1.00 0.00 H new ATOM 0 HG2 MET A 38 -9.078 -7.400 -0.594 1.00 0.00 H new ATOM 0 HG3 MET A 38 -8.864 -6.907 -2.262 1.00 0.00 H new ATOM 0 HE1 MET A 38 -12.379 -5.890 0.539 1.00 0.00 H new ATOM 0 HE2 MET A 38 -11.543 -7.457 0.425 1.00 0.00 H new ATOM 0 HE3 MET A 38 -10.692 -6.040 1.085 1.00 0.00 H new ATOM 525 N GLU A 39 -9.545 -7.087 -4.975 1.00 0.00 N ATOM 526 CA GLU A 39 -8.672 -6.685 -6.070 1.00 0.00 C ATOM 527 C GLU A 39 -8.031 -5.335 -5.739 1.00 0.00 C ATOM 528 O GLU A 39 -8.709 -4.377 -5.351 1.00 0.00 O ATOM 529 CB GLU A 39 -9.503 -6.645 -7.361 1.00 0.00 C ATOM 530 CG GLU A 39 -8.681 -6.232 -8.584 1.00 0.00 C ATOM 531 CD GLU A 39 -9.484 -6.458 -9.867 1.00 0.00 C ATOM 532 OE1 GLU A 39 -10.440 -5.693 -10.130 1.00 0.00 O ATOM 533 OE2 GLU A 39 -9.159 -7.418 -10.604 1.00 0.00 O ATOM 0 H GLU A 39 -10.089 -6.308 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.859 -7.397 -6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.939 -7.628 -7.537 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.331 -5.948 -7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.400 -5.182 -8.504 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.756 -6.808 -8.620 1.00 0.00 H new ATOM 540 N LEU A 40 -6.705 -5.294 -5.888 1.00 0.00 N ATOM 541 CA LEU A 40 -5.838 -4.154 -5.603 1.00 0.00 C ATOM 542 C LEU A 40 -5.282 -3.629 -6.933 1.00 0.00 C ATOM 543 O LEU A 40 -4.814 -4.414 -7.766 1.00 0.00 O ATOM 544 CB LEU A 40 -4.679 -4.603 -4.683 1.00 0.00 C ATOM 545 CG LEU A 40 -4.976 -4.760 -3.178 1.00 0.00 C ATOM 546 CD1 LEU A 40 -5.947 -5.907 -2.867 1.00 0.00 C ATOM 547 CD2 LEU A 40 -3.654 -5.023 -2.443 1.00 0.00 C ATOM 0 H LEU A 40 -6.181 -6.100 -6.229 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.398 -3.367 -5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.309 -5.559 -5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.867 -3.883 -4.791 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.451 -3.837 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.113 -5.962 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.896 -5.727 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.523 -6.848 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.847 -5.136 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.199 -5.935 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.976 -4.184 -2.602 1.00 0.00 H new ATOM 559 N THR A 41 -5.314 -2.307 -7.124 1.00 0.00 N ATOM 560 CA THR A 41 -4.837 -1.615 -8.341 1.00 0.00 C ATOM 561 C THR A 41 -4.046 -0.367 -7.968 1.00 0.00 C ATOM 562 O THR A 41 -4.097 0.070 -6.824 1.00 0.00 O ATOM 563 CB THR A 41 -6.001 -1.274 -9.286 1.00 0.00 C ATOM 564 OG1 THR A 41 -6.806 -0.269 -8.709 1.00 0.00 O ATOM 565 CG2 THR A 41 -6.876 -2.486 -9.621 1.00 0.00 C ATOM 0 H THR A 41 -5.681 -1.665 -6.422 1.00 0.00 H new ATOM 0 HA THR A 41 -4.173 -2.293 -8.877 1.00 0.00 H new ATOM 0 HB THR A 41 -5.556 -0.926 -10.218 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.065 -0.537 -7.803 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.680 -2.181 -10.291 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.269 -3.250 -10.107 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.303 -2.891 -8.704 1.00 0.00 H new ATOM 573 N GLN A 42 -3.331 0.244 -8.916 1.00 0.00 N ATOM 574 CA GLN A 42 -2.652 1.527 -8.667 1.00 0.00 C ATOM 575 C GLN A 42 -3.641 2.698 -8.483 1.00 0.00 C ATOM 576 O GLN A 42 -3.227 3.796 -8.113 1.00 0.00 O ATOM 577 CB GLN A 42 -1.625 1.826 -9.770 1.00 0.00 C ATOM 578 CG GLN A 42 -0.440 0.848 -9.704 1.00 0.00 C ATOM 579 CD GLN A 42 0.726 1.211 -10.626 1.00 0.00 C ATOM 580 OE1 GLN A 42 0.717 2.175 -11.381 1.00 0.00 O ATOM 581 NE2 GLN A 42 1.794 0.441 -10.584 1.00 0.00 N ATOM 0 H GLN A 42 -3.205 -0.123 -9.859 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.119 1.426 -7.722 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.105 1.756 -10.746 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.263 2.849 -9.666 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.076 0.804 -8.677 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.793 -0.151 -9.960 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.817 -0.366 -9.960 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.598 0.652 -11.175 1.00 0.00 H new ATOM 590 N SER A 43 -4.943 2.482 -8.699 1.00 0.00 N ATOM 591 CA SER A 43 -5.989 3.488 -8.480 1.00 0.00 C ATOM 592 C SER A 43 -6.660 3.361 -7.102 1.00 0.00 C ATOM 593 O SER A 43 -6.837 4.375 -6.422 1.00 0.00 O ATOM 594 CB SER A 43 -7.064 3.382 -9.575 1.00 0.00 C ATOM 595 OG SER A 43 -6.518 3.601 -10.871 1.00 0.00 O ATOM 0 H SER A 43 -5.306 1.590 -9.036 1.00 0.00 H new ATOM 0 HA SER A 43 -5.498 4.460 -8.521 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.527 2.396 -9.537 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.851 4.111 -9.384 1.00 0.00 H new ATOM 0 HG SER A 43 -7.228 3.525 -11.542 1.00 0.00 H new ATOM 601 N GLU A 44 -7.035 2.141 -6.684 1.00 0.00 N ATOM 602 CA GLU A 44 -7.891 1.882 -5.514 1.00 0.00 C ATOM 603 C GLU A 44 -8.081 0.380 -5.209 1.00 0.00 C ATOM 604 O GLU A 44 -7.683 -0.492 -5.990 1.00 0.00 O ATOM 605 CB GLU A 44 -9.269 2.554 -5.719 1.00 0.00 C ATOM 606 CG GLU A 44 -10.087 2.022 -6.901 1.00 0.00 C ATOM 607 CD GLU A 44 -11.301 2.915 -7.190 1.00 0.00 C ATOM 608 OE1 GLU A 44 -11.914 3.470 -6.249 1.00 0.00 O ATOM 609 OE2 GLU A 44 -11.665 3.041 -8.382 1.00 0.00 O ATOM 0 H GLU A 44 -6.745 1.287 -7.161 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.380 2.310 -4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.855 2.430 -4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.116 3.624 -5.857 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.455 1.967 -7.787 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.423 1.008 -6.686 1.00 0.00 H new ATOM 616 N LEU A 45 -8.753 0.092 -4.087 1.00 0.00 N ATOM 617 CA LEU A 45 -9.256 -1.236 -3.721 1.00 0.00 C ATOM 618 C LEU A 45 -10.644 -1.459 -4.333 1.00 0.00 C ATOM 619 O LEU A 45 -11.472 -0.545 -4.319 1.00 0.00 O ATOM 620 CB LEU A 45 -9.364 -1.343 -2.183 1.00 0.00 C ATOM 621 CG LEU A 45 -8.151 -1.983 -1.494 1.00 0.00 C ATOM 622 CD1 LEU A 45 -8.308 -1.903 0.029 1.00 0.00 C ATOM 623 CD2 LEU A 45 -8.015 -3.459 -1.869 1.00 0.00 C ATOM 0 H LEU A 45 -8.968 0.802 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.566 -1.990 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.511 -0.344 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.253 -1.923 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.267 -1.437 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.442 -2.360 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.382 -0.859 0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.211 -2.433 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.147 -3.884 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.912 -3.997 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.889 -3.550 -2.948 1.00 0.00 H new ATOM 635 N VAL A 46 -10.911 -2.673 -4.823 1.00 0.00 N ATOM 636 CA VAL A 46 -12.207 -3.075 -5.400 1.00 0.00 C ATOM 637 C VAL A 46 -12.639 -4.461 -4.893 1.00 0.00 C ATOM 638 O VAL A 46 -11.836 -5.391 -4.852 1.00 0.00 O ATOM 639 CB VAL A 46 -12.160 -3.055 -6.950 1.00 0.00 C ATOM 640 CG1 VAL A 46 -13.530 -3.408 -7.558 1.00 0.00 C ATOM 641 CG2 VAL A 46 -11.721 -1.686 -7.507 1.00 0.00 C ATOM 0 H VAL A 46 -10.220 -3.424 -4.832 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.949 -2.348 -5.071 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.422 -3.805 -7.233 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.462 -3.385 -8.646 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.826 -4.406 -7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.273 -2.683 -7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.704 -1.725 -8.596 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.424 -0.919 -7.182 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.724 -1.445 -7.137 1.00 0.00 H new ATOM 651 N LEU A 47 -13.923 -4.594 -4.541 1.00 0.00 N ATOM 652 CA LEU A 47 -14.620 -5.851 -4.255 1.00 0.00 C ATOM 653 C LEU A 47 -15.614 -6.182 -5.369 1.00 0.00 C ATOM 654 O LEU A 47 -16.449 -5.354 -5.747 1.00 0.00 O ATOM 655 CB LEU A 47 -15.409 -5.771 -2.935 1.00 0.00 C ATOM 656 CG LEU A 47 -14.623 -6.096 -1.659 1.00 0.00 C ATOM 657 CD1 LEU A 47 -15.561 -5.979 -0.457 1.00 0.00 C ATOM 658 CD2 LEU A 47 -14.054 -7.518 -1.637 1.00 0.00 C ATOM 0 H LEU A 47 -14.535 -3.784 -4.443 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.855 -6.624 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.817 -4.765 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -16.256 -6.454 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.792 -5.391 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -15.012 -6.208 0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -15.954 -4.964 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -16.387 -6.682 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.511 -7.678 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.870 -8.237 -1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.376 -7.652 -2.480 1.00 0.00 H new ATOM 670 N HIS A 48 -15.560 -7.442 -5.796 1.00 0.00 N ATOM 671 CA HIS A 48 -16.471 -8.092 -6.739 1.00 0.00 C ATOM 672 C HIS A 48 -17.271 -9.202 -6.033 1.00 0.00 C ATOM 673 O HIS A 48 -16.663 -10.119 -5.476 1.00 0.00 O ATOM 674 CB HIS A 48 -15.625 -8.670 -7.885 1.00 0.00 C ATOM 675 CG HIS A 48 -14.794 -7.652 -8.621 1.00 0.00 C ATOM 676 ND1 HIS A 48 -15.283 -6.700 -9.519 1.00 0.00 N ATOM 677 CD2 HIS A 48 -13.436 -7.535 -8.540 1.00 0.00 C ATOM 678 CE1 HIS A 48 -14.201 -6.032 -9.957 1.00 0.00 C ATOM 679 NE2 HIS A 48 -13.079 -6.513 -9.392 1.00 0.00 N ATOM 0 H HIS A 48 -14.832 -8.078 -5.472 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.190 -7.373 -7.132 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.964 -9.437 -7.481 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -16.288 -9.163 -8.596 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.772 -8.127 -7.928 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.229 -5.219 -10.667 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.131 -6.180 -9.564 1.00 0.00 H new ATOM 687 N LEU A 49 -18.606 -9.125 -6.026 1.00 0.00 N ATOM 688 CA LEU A 49 -19.517 -10.054 -5.328 1.00 0.00 C ATOM 689 C LEU A 49 -20.413 -10.817 -6.326 1.00 0.00 C ATOM 690 O LEU A 49 -20.512 -10.454 -7.498 1.00 0.00 O ATOM 691 CB LEU A 49 -20.363 -9.265 -4.298 1.00 0.00 C ATOM 692 CG LEU A 49 -19.733 -9.077 -2.898 1.00 0.00 C ATOM 693 CD1 LEU A 49 -18.484 -8.185 -2.897 1.00 0.00 C ATOM 694 CD2 LEU A 49 -20.776 -8.470 -1.946 1.00 0.00 C ATOM 0 H LEU A 49 -19.106 -8.388 -6.523 1.00 0.00 H new ATOM 0 HA LEU A 49 -18.925 -10.802 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -20.577 -8.280 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -21.319 -9.774 -4.178 1.00 0.00 H new ATOM 0 HG LEU A 49 -19.418 -10.067 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -18.099 -8.100 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -17.721 -8.626 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -18.744 -7.195 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -20.334 -8.337 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -21.101 -7.504 -2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -21.634 -9.139 -1.872 1.00 0.00 H new ATOM 786 N ALA A 54 -20.560 -4.064 -7.493 1.00 0.00 N ATOM 787 CA ALA A 54 -19.152 -3.910 -7.120 1.00 0.00 C ATOM 788 C ALA A 54 -18.948 -2.687 -6.203 1.00 0.00 C ATOM 789 O ALA A 54 -19.644 -1.674 -6.336 1.00 0.00 O ATOM 790 CB ALA A 54 -18.303 -3.828 -8.395 1.00 0.00 C ATOM 0 HA ALA A 54 -18.829 -4.778 -6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.253 -3.713 -8.126 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -18.431 -4.741 -8.977 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.621 -2.972 -8.989 1.00 0.00 H new ATOM 796 N VAL A 55 -17.983 -2.774 -5.283 1.00 0.00 N ATOM 797 CA VAL A 55 -17.742 -1.744 -4.250 1.00 0.00 C ATOM 798 C VAL A 55 -16.271 -1.345 -4.247 1.00 0.00 C ATOM 799 O VAL A 55 -15.403 -2.204 -4.362 1.00 0.00 O ATOM 800 CB VAL A 55 -18.192 -2.182 -2.839 1.00 0.00 C ATOM 801 CG1 VAL A 55 -18.268 -0.964 -1.905 1.00 0.00 C ATOM 802 CG2 VAL A 55 -19.582 -2.834 -2.835 1.00 0.00 C ATOM 0 H VAL A 55 -17.339 -3.563 -5.228 1.00 0.00 H new ATOM 0 HA VAL A 55 -18.355 -0.881 -4.510 1.00 0.00 H new ATOM 0 HB VAL A 55 -17.453 -2.908 -2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -18.586 -1.285 -0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -17.286 -0.496 -1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -18.986 -0.246 -2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -19.846 -3.122 -1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -20.318 -2.125 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -19.570 -3.719 -3.471 1.00 0.00 H new ATOM 812 N ARG A 56 -16.004 -0.041 -4.143 1.00 0.00 N ATOM 813 CA ARG A 56 -14.684 0.557 -4.375 1.00 0.00 C ATOM 814 C ARG A 56 -14.279 1.532 -3.259 1.00 0.00 C ATOM 815 O ARG A 56 -15.116 2.285 -2.752 1.00 0.00 O ATOM 816 CB ARG A 56 -14.691 1.293 -5.729 1.00 0.00 C ATOM 817 CG ARG A 56 -15.294 0.499 -6.907 1.00 0.00 C ATOM 818 CD ARG A 56 -15.349 1.324 -8.197 1.00 0.00 C ATOM 819 NE ARG A 56 -14.025 1.480 -8.824 1.00 0.00 N ATOM 820 CZ ARG A 56 -13.568 0.883 -9.916 1.00 0.00 C ATOM 821 NH1 ARG A 56 -14.251 -0.032 -10.575 1.00 0.00 N ATOM 822 NH2 ARG A 56 -12.384 1.236 -10.355 1.00 0.00 N ATOM 0 H ARG A 56 -16.715 0.645 -3.889 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.951 -0.250 -4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -15.248 2.223 -5.616 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.666 1.564 -5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.701 -0.399 -7.078 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -16.300 0.172 -6.645 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.027 0.844 -8.903 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -15.762 2.309 -7.977 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.383 2.125 -8.363 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.177 -0.311 -10.249 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.854 -0.461 -11.411 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.848 1.948 -9.859 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.999 0.799 -11.192 1.00 0.00 H new ATOM 836 N TRP A 57 -12.986 1.559 -2.914 1.00 0.00 N ATOM 837 CA TRP A 57 -12.412 2.440 -1.884 1.00 0.00 C ATOM 838 C TRP A 57 -11.051 3.019 -2.325 1.00 0.00 C ATOM 839 O TRP A 57 -10.066 2.268 -2.357 1.00 0.00 O ATOM 840 CB TRP A 57 -12.259 1.671 -0.563 1.00 0.00 C ATOM 841 CG TRP A 57 -13.539 1.210 0.058 1.00 0.00 C ATOM 842 CD1 TRP A 57 -14.339 1.935 0.875 1.00 0.00 C ATOM 843 CD2 TRP A 57 -14.204 -0.076 -0.114 1.00 0.00 C ATOM 844 NE1 TRP A 57 -15.435 1.177 1.245 1.00 0.00 N ATOM 845 CE2 TRP A 57 -15.388 -0.077 0.682 1.00 0.00 C ATOM 846 CE3 TRP A 57 -13.930 -1.237 -0.871 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -16.240 -1.180 0.752 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -14.800 -2.341 -0.837 1.00 0.00 C ATOM 849 CH2 TRP A 57 -15.954 -2.307 -0.034 1.00 0.00 C ATOM 0 H TRP A 57 -12.291 0.955 -3.353 1.00 0.00 H new ATOM 0 HA TRP A 57 -13.095 3.277 -1.739 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -11.625 0.802 -0.739 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -11.736 2.308 0.151 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -14.150 2.951 1.190 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -16.182 1.506 1.857 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -13.041 -1.277 -1.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -17.104 -1.167 1.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -14.581 -3.217 -1.429 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.624 -3.154 -0.022 1.00 0.00 H new ATOM 860 N PRO A 58 -10.961 4.331 -2.630 1.00 0.00 N ATOM 861 CA PRO A 58 -9.696 4.988 -2.938 1.00 0.00 C ATOM 862 C PRO A 58 -8.765 5.040 -1.729 1.00 0.00 C ATOM 863 O PRO A 58 -9.188 5.140 -0.581 1.00 0.00 O ATOM 864 CB PRO A 58 -10.048 6.394 -3.438 1.00 0.00 C ATOM 865 CG PRO A 58 -11.430 6.661 -2.851 1.00 0.00 C ATOM 866 CD PRO A 58 -12.061 5.271 -2.818 1.00 0.00 C ATOM 0 HA PRO A 58 -9.150 4.427 -3.697 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.321 7.132 -3.098 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.062 6.438 -4.527 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.368 7.100 -1.855 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.005 7.351 -3.469 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.785 5.191 -2.007 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.596 5.064 -3.745 1.00 0.00 H new ATOM 874 N TYR A 59 -7.464 5.043 -2.006 1.00 0.00 N ATOM 875 CA TYR A 59 -6.412 5.146 -0.990 1.00 0.00 C ATOM 876 C TYR A 59 -6.391 6.498 -0.242 1.00 0.00 C ATOM 877 O TYR A 59 -5.689 6.645 0.761 1.00 0.00 O ATOM 878 CB TYR A 59 -5.078 4.838 -1.677 1.00 0.00 C ATOM 879 CG TYR A 59 -4.990 3.479 -2.360 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.397 2.308 -1.688 1.00 0.00 C ATOM 881 CD2 TYR A 59 -4.472 3.380 -3.668 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.327 1.057 -2.328 1.00 0.00 C ATOM 883 CE2 TYR A 59 -4.372 2.126 -4.301 1.00 0.00 C ATOM 884 CZ TYR A 59 -4.810 0.960 -3.633 1.00 0.00 C ATOM 885 OH TYR A 59 -4.745 -0.258 -4.237 1.00 0.00 O ATOM 0 H TYR A 59 -7.102 4.973 -2.957 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.612 4.421 -0.201 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.885 5.612 -2.420 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.283 4.904 -0.934 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.765 2.372 -0.675 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.150 4.271 -4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.671 0.170 -1.817 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.961 2.055 -5.297 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.822 -0.146 -5.208 1.00 0.00 H new ATOM 895 N LEU A 60 -7.209 7.462 -0.689 1.00 0.00 N ATOM 896 CA LEU A 60 -7.490 8.731 -0.010 1.00 0.00 C ATOM 897 C LEU A 60 -8.550 8.614 1.100 1.00 0.00 C ATOM 898 O LEU A 60 -8.424 9.308 2.110 1.00 0.00 O ATOM 899 CB LEU A 60 -7.916 9.776 -1.051 1.00 0.00 C ATOM 900 CG LEU A 60 -6.699 10.374 -1.779 1.00 0.00 C ATOM 901 CD1 LEU A 60 -7.171 11.104 -3.031 1.00 0.00 C ATOM 902 CD2 LEU A 60 -5.921 11.367 -0.896 1.00 0.00 C ATOM 0 H LEU A 60 -7.713 7.373 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.571 9.040 0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.586 9.316 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.476 10.572 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.032 9.550 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.312 11.529 -3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.682 10.402 -3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.857 11.903 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.072 11.762 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.577 12.187 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.562 10.856 -0.003 1.00 0.00 H new ATOM 914 N CYS A 61 -9.578 7.761 0.952 1.00 0.00 N ATOM 915 CA CYS A 61 -10.618 7.592 1.983 1.00 0.00 C ATOM 916 C CYS A 61 -10.272 6.531 3.043 1.00 0.00 C ATOM 917 O CYS A 61 -10.756 6.612 4.176 1.00 0.00 O ATOM 918 CB CYS A 61 -11.966 7.317 1.305 1.00 0.00 C ATOM 919 SG CYS A 61 -12.006 5.639 0.617 1.00 0.00 S ATOM 0 H CYS A 61 -9.712 7.176 0.127 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.682 8.525 2.543 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.774 7.439 2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.135 8.045 0.512 1.00 0.00 H new ATOM 0 HG CYS A 61 -10.844 5.350 0.110 1.00 0.00 H new ATOM 925 N LEU A 62 -9.401 5.578 2.691 1.00 0.00 N ATOM 926 CA LEU A 62 -8.882 4.531 3.571 1.00 0.00 C ATOM 927 C LEU A 62 -8.094 5.153 4.736 1.00 0.00 C ATOM 928 O LEU A 62 -6.986 5.664 4.556 1.00 0.00 O ATOM 929 CB LEU A 62 -8.043 3.553 2.716 1.00 0.00 C ATOM 930 CG LEU A 62 -8.921 2.595 1.879 1.00 0.00 C ATOM 931 CD1 LEU A 62 -8.139 1.946 0.732 1.00 0.00 C ATOM 932 CD2 LEU A 62 -9.472 1.478 2.766 1.00 0.00 C ATOM 0 H LEU A 62 -9.024 5.515 1.745 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.693 3.966 4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.395 4.122 2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.395 2.969 3.369 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.728 3.196 1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.798 1.282 0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.757 2.721 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.306 1.373 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.089 0.809 2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.645 0.917 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.075 1.911 3.564 1.00 0.00 H new ATOM 944 N ARG A 63 -8.685 5.115 5.936 1.00 0.00 N ATOM 945 CA ARG A 63 -8.166 5.741 7.159 1.00 0.00 C ATOM 946 C ARG A 63 -7.040 4.917 7.793 1.00 0.00 C ATOM 947 O ARG A 63 -6.067 5.491 8.289 1.00 0.00 O ATOM 948 CB ARG A 63 -9.332 5.913 8.149 1.00 0.00 C ATOM 949 CG ARG A 63 -9.001 6.577 9.500 1.00 0.00 C ATOM 950 CD ARG A 63 -8.554 8.044 9.402 1.00 0.00 C ATOM 951 NE ARG A 63 -7.184 8.186 8.872 1.00 0.00 N ATOM 952 CZ ARG A 63 -6.689 9.226 8.210 1.00 0.00 C ATOM 953 NH1 ARG A 63 -7.377 10.334 8.013 1.00 0.00 N ATOM 954 NH2 ARG A 63 -5.470 9.156 7.726 1.00 0.00 N ATOM 0 H ARG A 63 -9.569 4.630 6.088 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.738 6.710 6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.108 6.503 7.661 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.757 4.929 8.348 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.880 6.521 10.142 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.213 6.003 9.988 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.246 8.589 8.760 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.607 8.503 10.389 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.550 7.403 9.031 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.327 10.415 8.375 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.959 11.109 7.499 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.916 8.310 7.860 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.078 9.947 7.216 1.00 0.00 H new ATOM 968 N ARG A 64 -7.183 3.588 7.755 1.00 0.00 N ATOM 969 CA ARG A 64 -6.206 2.587 8.189 1.00 0.00 C ATOM 970 C ARG A 64 -6.567 1.208 7.627 1.00 0.00 C ATOM 971 O ARG A 64 -7.731 0.951 7.308 1.00 0.00 O ATOM 972 CB ARG A 64 -6.028 2.573 9.723 1.00 0.00 C ATOM 973 CG ARG A 64 -7.233 2.078 10.542 1.00 0.00 C ATOM 974 CD ARG A 64 -6.944 2.119 12.047 1.00 0.00 C ATOM 975 NE ARG A 64 -8.192 2.112 12.820 1.00 0.00 N ATOM 976 CZ ARG A 64 -8.328 2.060 14.135 1.00 0.00 C ATOM 977 NH1 ARG A 64 -7.315 1.858 14.952 1.00 0.00 N ATOM 978 NH2 ARG A 64 -9.531 2.231 14.628 1.00 0.00 N ATOM 0 H ARG A 64 -8.036 3.158 7.399 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.234 2.865 7.781 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.170 1.945 9.963 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.784 3.584 10.049 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.103 2.696 10.321 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.482 1.059 10.246 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.333 1.261 12.328 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.368 3.013 12.287 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.056 2.152 12.280 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.375 1.733 14.577 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.471 1.826 15.960 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.320 2.397 14.003 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.678 2.198 15.637 1.00 0.00 H new ATOM 992 N TYR A 65 -5.579 0.324 7.514 1.00 0.00 N ATOM 993 CA TYR A 65 -5.724 -1.011 6.917 1.00 0.00 C ATOM 994 C TYR A 65 -4.761 -1.991 7.593 1.00 0.00 C ATOM 995 O TYR A 65 -3.592 -1.667 7.823 1.00 0.00 O ATOM 996 CB TYR A 65 -5.515 -0.964 5.391 1.00 0.00 C ATOM 997 CG TYR A 65 -4.150 -0.464 4.947 1.00 0.00 C ATOM 998 CD1 TYR A 65 -3.052 -1.346 4.874 1.00 0.00 C ATOM 999 CD2 TYR A 65 -3.970 0.900 4.647 1.00 0.00 C ATOM 1000 CE1 TYR A 65 -1.768 -0.861 4.558 1.00 0.00 C ATOM 1001 CE2 TYR A 65 -2.694 1.383 4.312 1.00 0.00 C ATOM 1002 CZ TYR A 65 -1.586 0.510 4.283 1.00 0.00 C ATOM 1003 OH TYR A 65 -0.342 1.003 4.029 1.00 0.00 O ATOM 0 H TYR A 65 -4.632 0.515 7.841 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.742 -1.363 7.085 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.668 -1.965 4.987 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.280 -0.323 4.954 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.197 -2.400 5.062 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.813 1.575 4.674 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.926 -1.537 4.526 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.560 2.428 4.075 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.418 1.907 3.659 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.277 -3.158 7.980 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.560 -4.103 8.828 1.00 0.00 C ATOM 1015 C GLY A 66 -4.893 -5.560 8.563 1.00 0.00 C ATOM 1016 O GLY A 66 -5.853 -5.894 7.867 1.00 0.00 O ATOM 0 H GLY A 66 -6.209 -3.473 7.711 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.489 -3.957 8.689 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.780 -3.876 9.871 1.00 0.00 H new ATOM 1020 N TYR A 67 -4.108 -6.427 9.192 1.00 0.00 N ATOM 1021 CA TYR A 67 -4.212 -7.878 9.072 1.00 0.00 C ATOM 1022 C TYR A 67 -4.124 -8.582 10.441 1.00 0.00 C ATOM 1023 O TYR A 67 -3.547 -8.064 11.403 1.00 0.00 O ATOM 1024 CB TYR A 67 -3.140 -8.376 8.085 1.00 0.00 C ATOM 1025 CG TYR A 67 -1.802 -8.711 8.719 1.00 0.00 C ATOM 1026 CD1 TYR A 67 -0.870 -7.696 8.995 1.00 0.00 C ATOM 1027 CD2 TYR A 67 -1.506 -10.044 9.069 1.00 0.00 C ATOM 1028 CE1 TYR A 67 0.367 -8.010 9.587 1.00 0.00 C ATOM 1029 CE2 TYR A 67 -0.278 -10.364 9.678 1.00 0.00 C ATOM 1030 CZ TYR A 67 0.670 -9.346 9.929 1.00 0.00 C ATOM 1031 OH TYR A 67 1.868 -9.643 10.504 1.00 0.00 O ATOM 0 H TYR A 67 -3.359 -6.132 9.818 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.196 -8.134 8.679 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.518 -9.263 7.576 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.985 -7.613 7.323 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.104 -6.670 8.752 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.225 -10.824 8.869 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.086 -7.228 9.780 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.060 -11.386 9.953 1.00 0.00 H new ATOM 0 HH TYR A 67 1.918 -10.606 10.677 1.00 0.00 H new ATOM 1041 N ASP A 68 -4.678 -9.788 10.505 1.00 0.00 N ATOM 1042 CA ASP A 68 -4.642 -10.691 11.652 1.00 0.00 C ATOM 1043 C ASP A 68 -4.763 -12.151 11.180 1.00 0.00 C ATOM 1044 O ASP A 68 -4.805 -12.426 9.977 1.00 0.00 O ATOM 1045 CB ASP A 68 -5.753 -10.310 12.650 1.00 0.00 C ATOM 1046 CG ASP A 68 -5.246 -10.412 14.093 1.00 0.00 C ATOM 1047 OD1 ASP A 68 -5.031 -11.559 14.558 1.00 0.00 O ATOM 1048 OD2 ASP A 68 -5.042 -9.354 14.735 1.00 0.00 O ATOM 0 H ASP A 68 -5.191 -10.184 9.717 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.686 -10.595 12.168 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.095 -9.294 12.451 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.612 -10.968 12.514 1.00 0.00 H new ATOM 1053 N SER A 69 -4.825 -13.105 12.109 1.00 0.00 N ATOM 1054 CA SER A 69 -4.968 -14.524 11.758 1.00 0.00 C ATOM 1055 C SER A 69 -6.296 -14.796 11.033 1.00 0.00 C ATOM 1056 O SER A 69 -7.388 -14.618 11.577 1.00 0.00 O ATOM 1057 CB SER A 69 -4.819 -15.414 12.988 1.00 0.00 C ATOM 1058 OG SER A 69 -4.763 -16.791 12.630 1.00 0.00 O ATOM 0 H SER A 69 -4.779 -12.924 13.112 1.00 0.00 H new ATOM 0 HA SER A 69 -4.162 -14.772 11.067 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.913 -15.140 13.529 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.657 -15.246 13.664 1.00 0.00 H new ATOM 0 HG SER A 69 -4.666 -17.336 13.439 1.00 0.00 H new ATOM 1064 N ASN A 70 -6.170 -15.199 9.766 1.00 0.00 N ATOM 1065 CA ASN A 70 -7.253 -15.430 8.798 1.00 0.00 C ATOM 1066 C ASN A 70 -8.174 -14.199 8.554 1.00 0.00 C ATOM 1067 O ASN A 70 -9.294 -14.360 8.064 1.00 0.00 O ATOM 1068 CB ASN A 70 -8.026 -16.706 9.199 1.00 0.00 C ATOM 1069 CG ASN A 70 -9.000 -17.207 8.129 1.00 0.00 C ATOM 1070 OD1 ASN A 70 -8.735 -17.162 6.933 1.00 0.00 O ATOM 1071 ND2 ASN A 70 -10.160 -17.692 8.538 1.00 0.00 N ATOM 0 H ASN A 70 -5.253 -15.385 9.360 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.796 -15.587 7.821 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.310 -17.497 9.423 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.580 -16.509 10.117 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.840 -18.031 7.857 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.375 -17.727 9.534 1.00 0.00 H new ATOM 1078 N LEU A 71 -7.754 -12.968 8.891 1.00 0.00 N ATOM 1079 CA LEU A 71 -8.612 -11.779 8.908 1.00 0.00 C ATOM 1080 C LEU A 71 -7.903 -10.572 8.277 1.00 0.00 C ATOM 1081 O LEU A 71 -6.809 -10.195 8.696 1.00 0.00 O ATOM 1082 CB LEU A 71 -9.005 -11.519 10.382 1.00 0.00 C ATOM 1083 CG LEU A 71 -10.312 -10.750 10.649 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -10.244 -9.285 10.217 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -11.522 -11.440 10.011 1.00 0.00 C ATOM 0 H LEU A 71 -6.791 -12.772 9.164 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.508 -11.941 8.309 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.074 -12.483 10.886 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.190 -10.970 10.855 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.440 -10.760 11.731 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.195 -8.798 10.431 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.447 -8.781 10.764 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.041 -9.230 9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.423 -10.865 10.224 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.378 -11.503 8.932 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.627 -12.444 10.422 1.00 0.00 H new ATOM 1097 N PHE A 72 -8.550 -9.947 7.294 1.00 0.00 N ATOM 1098 CA PHE A 72 -8.157 -8.670 6.693 1.00 0.00 C ATOM 1099 C PHE A 72 -9.282 -7.642 6.886 1.00 0.00 C ATOM 1100 O PHE A 72 -10.458 -7.960 6.724 1.00 0.00 O ATOM 1101 CB PHE A 72 -7.845 -8.871 5.201 1.00 0.00 C ATOM 1102 CG PHE A 72 -7.566 -7.559 4.496 1.00 0.00 C ATOM 1103 CD1 PHE A 72 -6.405 -6.827 4.816 1.00 0.00 C ATOM 1104 CD2 PHE A 72 -8.522 -7.011 3.619 1.00 0.00 C ATOM 1105 CE1 PHE A 72 -6.226 -5.532 4.302 1.00 0.00 C ATOM 1106 CE2 PHE A 72 -8.330 -5.723 3.091 1.00 0.00 C ATOM 1107 CZ PHE A 72 -7.197 -4.976 3.451 1.00 0.00 C ATOM 0 H PHE A 72 -9.398 -10.331 6.876 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.258 -8.295 7.183 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.982 -9.529 5.097 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -8.686 -9.370 4.719 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.652 -7.262 5.457 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.401 -7.579 3.353 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.344 -4.965 4.560 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.055 -5.307 2.407 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.071 -3.972 3.073 1.00 0.00 H new ATOM 1117 N SER A 73 -8.944 -6.403 7.226 1.00 0.00 N ATOM 1118 CA SER A 73 -9.910 -5.343 7.516 1.00 0.00 C ATOM 1119 C SER A 73 -9.348 -3.939 7.241 1.00 0.00 C ATOM 1120 O SER A 73 -8.133 -3.710 7.280 1.00 0.00 O ATOM 1121 CB SER A 73 -10.376 -5.482 8.970 1.00 0.00 C ATOM 1122 OG SER A 73 -11.404 -4.559 9.276 1.00 0.00 O ATOM 0 H SER A 73 -7.974 -6.099 7.310 1.00 0.00 H new ATOM 0 HA SER A 73 -10.760 -5.459 6.843 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.734 -6.497 9.143 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.531 -5.323 9.641 1.00 0.00 H new ATOM 0 HG SER A 73 -12.000 -4.465 8.504 1.00 0.00 H new ATOM 1128 N PHE A 74 -10.248 -2.989 6.974 1.00 0.00 N ATOM 1129 CA PHE A 74 -9.935 -1.586 6.715 1.00 0.00 C ATOM 1130 C PHE A 74 -11.035 -0.652 7.237 1.00 0.00 C ATOM 1131 O PHE A 74 -12.207 -1.022 7.333 1.00 0.00 O ATOM 1132 CB PHE A 74 -9.643 -1.377 5.219 1.00 0.00 C ATOM 1133 CG PHE A 74 -10.791 -1.694 4.273 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -11.803 -0.741 4.042 1.00 0.00 C ATOM 1135 CD2 PHE A 74 -10.839 -2.932 3.603 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -12.851 -1.026 3.149 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -11.881 -3.213 2.699 1.00 0.00 C ATOM 1138 CZ PHE A 74 -12.891 -2.261 2.480 1.00 0.00 C ATOM 0 H PHE A 74 -11.248 -3.185 6.931 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.033 -1.323 7.268 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.347 -0.339 5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.789 -1.996 4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.774 0.211 4.552 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.072 -3.670 3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.627 -0.294 2.977 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.904 -4.157 2.175 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.699 -2.479 1.797 1.00 0.00 H new ATOM 1148 N GLU A 75 -10.636 0.573 7.578 1.00 0.00 N ATOM 1149 CA GLU A 75 -11.501 1.649 8.063 1.00 0.00 C ATOM 1150 C GLU A 75 -11.599 2.751 7.002 1.00 0.00 C ATOM 1151 O GLU A 75 -10.615 3.074 6.335 1.00 0.00 O ATOM 1152 CB GLU A 75 -10.920 2.192 9.377 1.00 0.00 C ATOM 1153 CG GLU A 75 -11.835 3.218 10.065 1.00 0.00 C ATOM 1154 CD GLU A 75 -11.339 3.614 11.465 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -10.867 2.734 12.221 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -11.431 4.811 11.822 1.00 0.00 O ATOM 0 H GLU A 75 -9.657 0.855 7.521 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.507 1.274 8.250 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.740 1.360 10.058 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.953 2.654 9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.904 4.111 9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.841 2.806 10.144 1.00 0.00 H new ATOM 1163 N SER A 76 -12.772 3.361 6.859 1.00 0.00 N ATOM 1164 CA SER A 76 -13.026 4.437 5.893 1.00 0.00 C ATOM 1165 C SER A 76 -14.002 5.490 6.447 1.00 0.00 C ATOM 1166 O SER A 76 -14.799 5.205 7.348 1.00 0.00 O ATOM 1167 CB SER A 76 -13.540 3.847 4.576 1.00 0.00 C ATOM 1168 OG SER A 76 -13.488 4.833 3.561 1.00 0.00 O ATOM 0 H SER A 76 -13.590 3.121 7.419 1.00 0.00 H new ATOM 0 HA SER A 76 -12.083 4.950 5.706 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.936 2.986 4.291 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.563 3.492 4.700 1.00 0.00 H new ATOM 0 HG SER A 76 -14.370 4.918 3.142 1.00 0.00 H new ATOM 1174 N GLY A 77 -13.916 6.721 5.929 1.00 0.00 N ATOM 1175 CA GLY A 77 -14.744 7.871 6.323 1.00 0.00 C ATOM 1176 C GLY A 77 -15.997 8.056 5.462 1.00 0.00 C ATOM 1177 O GLY A 77 -16.208 7.361 4.466 1.00 0.00 O ATOM 0 H GLY A 77 -13.244 6.954 5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -15.045 7.750 7.364 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.140 8.777 6.268 1.00 0.00 H new ATOM 1181 N ARG A 78 -16.824 9.048 5.822 1.00 0.00 N ATOM 1182 CA ARG A 78 -18.110 9.346 5.155 1.00 0.00 C ATOM 1183 C ARG A 78 -17.994 9.815 3.686 1.00 0.00 C ATOM 1184 O ARG A 78 -19.002 9.905 2.983 1.00 0.00 O ATOM 1185 CB ARG A 78 -18.949 10.299 6.011 1.00 0.00 C ATOM 1186 CG ARG A 78 -18.367 11.709 6.165 1.00 0.00 C ATOM 1187 CD ARG A 78 -19.341 12.509 7.029 1.00 0.00 C ATOM 1188 NE ARG A 78 -18.887 13.897 7.224 1.00 0.00 N ATOM 1189 CZ ARG A 78 -19.564 14.867 7.829 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -20.762 14.669 8.342 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -19.037 16.068 7.926 1.00 0.00 N ATOM 0 H ARG A 78 -16.619 9.679 6.597 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.632 8.393 5.076 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.944 10.378 5.572 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -19.071 9.862 7.002 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -17.382 11.670 6.631 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.240 12.181 5.191 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -20.325 12.511 6.560 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -19.451 12.023 7.998 1.00 0.00 H new ATOM 0 HE ARG A 78 -17.965 14.136 6.860 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -21.197 13.748 8.281 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -21.254 15.436 8.800 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -18.112 16.252 7.538 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -19.553 16.816 8.390 1.00 0.00 H new ATOM 1205 N ARG A 79 -16.768 10.082 3.220 1.00 0.00 N ATOM 1206 CA ARG A 79 -16.419 10.524 1.859 1.00 0.00 C ATOM 1207 C ARG A 79 -16.434 9.421 0.780 1.00 0.00 C ATOM 1208 O ARG A 79 -16.444 9.739 -0.410 1.00 0.00 O ATOM 1209 CB ARG A 79 -15.053 11.231 1.913 1.00 0.00 C ATOM 1210 CG ARG A 79 -13.893 10.304 2.320 1.00 0.00 C ATOM 1211 CD ARG A 79 -12.595 11.068 2.603 1.00 0.00 C ATOM 1212 NE ARG A 79 -11.966 11.590 1.377 1.00 0.00 N ATOM 1213 CZ ARG A 79 -10.782 12.192 1.304 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -10.014 12.358 2.361 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -10.351 12.647 0.147 1.00 0.00 N ATOM 0 H ARG A 79 -15.944 9.991 3.814 1.00 0.00 H new ATOM 0 HA ARG A 79 -17.207 11.207 1.540 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.837 11.661 0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.110 12.059 2.619 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.179 9.740 3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.717 9.579 1.525 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.805 11.896 3.280 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.894 10.409 3.114 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.485 11.480 0.506 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.322 12.020 3.273 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.112 12.824 2.268 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.924 12.538 -0.690 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.444 13.109 0.087 1.00 0.00 H new ATOM 1229 N CYS A 80 -16.409 8.141 1.171 1.00 0.00 N ATOM 1230 CA CYS A 80 -16.350 6.988 0.253 1.00 0.00 C ATOM 1231 C CYS A 80 -17.735 6.523 -0.263 1.00 0.00 C ATOM 1232 O CYS A 80 -18.766 7.116 0.061 1.00 0.00 O ATOM 1233 CB CYS A 80 -15.551 5.865 0.939 1.00 0.00 C ATOM 1234 SG CYS A 80 -16.544 5.039 2.210 1.00 0.00 S ATOM 0 H CYS A 80 -16.430 7.868 2.154 1.00 0.00 H new ATOM 0 HA CYS A 80 -15.836 7.295 -0.658 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -15.229 5.137 0.195 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -14.649 6.279 1.390 1.00 0.00 H new ATOM 0 HG CYS A 80 -16.578 5.775 3.281 1.00 0.00 H new ATOM 1240 N GLN A 81 -17.754 5.446 -1.058 1.00 0.00 N ATOM 1241 CA GLN A 81 -18.963 4.850 -1.650 1.00 0.00 C ATOM 1242 C GLN A 81 -19.961 4.345 -0.592 1.00 0.00 C ATOM 1243 O GLN A 81 -21.170 4.540 -0.742 1.00 0.00 O ATOM 1244 CB GLN A 81 -18.521 3.705 -2.587 1.00 0.00 C ATOM 1245 CG GLN A 81 -19.701 2.933 -3.213 1.00 0.00 C ATOM 1246 CD GLN A 81 -19.286 1.900 -4.271 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -18.150 1.830 -4.720 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -20.187 1.038 -4.697 1.00 0.00 N ATOM 0 H GLN A 81 -16.902 4.948 -1.317 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.495 5.620 -2.209 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.902 4.117 -3.384 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -17.897 3.008 -2.027 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.249 2.424 -2.420 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.387 3.647 -3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.141 1.077 -4.337 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -19.931 0.332 -5.387 1.00 0.00 H new ATOM 1257 N THR A 82 -19.459 3.696 0.465 1.00 0.00 N ATOM 1258 CA THR A 82 -20.255 3.021 1.508 1.00 0.00 C ATOM 1259 C THR A 82 -20.561 3.893 2.720 1.00 0.00 C ATOM 1260 O THR A 82 -21.499 3.607 3.464 1.00 0.00 O ATOM 1261 CB THR A 82 -19.527 1.757 1.969 1.00 0.00 C ATOM 1262 OG1 THR A 82 -18.173 2.047 2.259 1.00 0.00 O ATOM 1263 CG2 THR A 82 -19.550 0.722 0.852 1.00 0.00 C ATOM 0 H THR A 82 -18.455 3.621 0.627 1.00 0.00 H new ATOM 0 HA THR A 82 -21.214 2.782 1.049 1.00 0.00 H new ATOM 0 HB THR A 82 -20.028 1.379 2.860 1.00 0.00 H new ATOM 0 HG1 THR A 82 -17.919 1.614 3.101 1.00 0.00 H new ATOM 0 HG21 THR A 82 -19.031 -0.179 1.180 1.00 0.00 H new ATOM 0 HG22 THR A 82 -20.583 0.476 0.605 1.00 0.00 H new ATOM 0 HG23 THR A 82 -19.052 1.127 -0.029 1.00 0.00 H new ATOM 1271 N GLY A 83 -19.774 4.949 2.910 1.00 0.00 N ATOM 1272 CA GLY A 83 -19.811 5.835 4.074 1.00 0.00 C ATOM 1273 C GLY A 83 -18.909 5.350 5.216 1.00 0.00 C ATOM 1274 O GLY A 83 -18.147 4.391 5.073 1.00 0.00 O ATOM 0 H GLY A 83 -19.064 5.223 2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -19.503 6.836 3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -20.837 5.912 4.434 1.00 0.00 H new ATOM 1278 N GLN A 84 -18.986 6.044 6.353 1.00 0.00 N ATOM 1279 CA GLN A 84 -18.108 5.817 7.504 1.00 0.00 C ATOM 1280 C GLN A 84 -18.353 4.456 8.175 1.00 0.00 C ATOM 1281 O GLN A 84 -19.498 4.068 8.425 1.00 0.00 O ATOM 1282 CB GLN A 84 -18.199 6.988 8.502 1.00 0.00 C ATOM 1283 CG GLN A 84 -19.616 7.292 9.031 1.00 0.00 C ATOM 1284 CD GLN A 84 -19.675 8.494 9.982 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -18.880 9.426 9.923 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -20.628 8.533 10.892 1.00 0.00 N ATOM 0 H GLN A 84 -19.667 6.788 6.503 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.085 5.780 7.130 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -17.550 6.772 9.351 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -17.808 7.885 8.022 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -20.278 7.477 8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -19.998 6.412 9.548 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -21.300 7.769 10.959 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -20.693 9.327 11.529 1.00 0.00 H new ATOM 1295 N GLY A 85 -17.267 3.737 8.482 1.00 0.00 N ATOM 1296 CA GLY A 85 -17.297 2.430 9.133 1.00 0.00 C ATOM 1297 C GLY A 85 -16.027 1.614 8.907 1.00 0.00 C ATOM 1298 O GLY A 85 -15.054 2.067 8.297 1.00 0.00 O ATOM 0 H GLY A 85 -16.321 4.060 8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.446 2.568 10.204 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.153 1.867 8.762 1.00 0.00 H new ATOM 1302 N ILE A 86 -16.055 0.389 9.424 1.00 0.00 N ATOM 1303 CA ILE A 86 -14.990 -0.618 9.308 1.00 0.00 C ATOM 1304 C ILE A 86 -15.550 -1.873 8.632 1.00 0.00 C ATOM 1305 O ILE A 86 -16.651 -2.318 8.964 1.00 0.00 O ATOM 1306 CB ILE A 86 -14.419 -0.925 10.710 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -13.707 0.314 11.297 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -13.461 -2.130 10.684 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -13.544 0.238 12.815 1.00 0.00 C ATOM 0 H ILE A 86 -16.854 0.050 9.960 1.00 0.00 H new ATOM 0 HA ILE A 86 -14.175 -0.241 8.691 1.00 0.00 H new ATOM 0 HB ILE A 86 -15.261 -1.182 11.353 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.725 0.416 10.835 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -14.274 1.209 11.041 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.081 -2.314 11.689 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.995 -3.012 10.331 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.628 -1.918 10.014 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.038 1.135 13.172 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.526 0.165 13.283 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.952 -0.640 13.074 1.00 0.00 H new ATOM 1321 N PHE A 87 -14.781 -2.450 7.707 1.00 0.00 N ATOM 1322 CA PHE A 87 -15.196 -3.538 6.825 1.00 0.00 C ATOM 1323 C PHE A 87 -14.186 -4.692 6.931 1.00 0.00 C ATOM 1324 O PHE A 87 -13.007 -4.508 6.624 1.00 0.00 O ATOM 1325 CB PHE A 87 -15.307 -2.982 5.395 1.00 0.00 C ATOM 1326 CG PHE A 87 -16.234 -1.784 5.261 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -17.610 -1.979 5.040 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -15.730 -0.474 5.389 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.478 -0.878 4.944 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -16.600 0.629 5.311 1.00 0.00 C ATOM 1331 CZ PHE A 87 -17.974 0.427 5.093 1.00 0.00 C ATOM 0 H PHE A 87 -13.816 -2.160 7.547 1.00 0.00 H new ATOM 0 HA PHE A 87 -16.169 -3.936 7.113 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.313 -2.698 5.050 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -15.659 -3.775 4.735 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -18.001 -2.981 4.944 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.673 -0.316 5.547 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -19.530 -1.033 4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.212 1.631 5.419 1.00 0.00 H new ATOM 0 HZ PHE A 87 -18.643 1.274 5.040 1.00 0.00 H new ATOM 1341 N ALA A 88 -14.647 -5.869 7.375 1.00 0.00 N ATOM 1342 CA ALA A 88 -13.797 -7.007 7.745 1.00 0.00 C ATOM 1343 C ALA A 88 -14.136 -8.291 6.974 1.00 0.00 C ATOM 1344 O ALA A 88 -15.307 -8.636 6.754 1.00 0.00 O ATOM 1345 CB ALA A 88 -13.897 -7.226 9.258 1.00 0.00 C ATOM 0 H ALA A 88 -15.642 -6.060 7.489 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.771 -6.765 7.468 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.269 -8.069 9.546 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.561 -6.329 9.778 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.932 -7.435 9.528 1.00 0.00 H new ATOM 1351 N PHE A 89 -13.078 -9.012 6.592 1.00 0.00 N ATOM 1352 CA PHE A 89 -13.150 -10.136 5.665 1.00 0.00 C ATOM 1353 C PHE A 89 -12.252 -11.295 6.099 1.00 0.00 C ATOM 1354 O PHE A 89 -11.052 -11.128 6.324 1.00 0.00 O ATOM 1355 CB PHE A 89 -12.759 -9.658 4.253 1.00 0.00 C ATOM 1356 CG PHE A 89 -13.505 -8.428 3.774 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -14.719 -8.565 3.077 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -13.019 -7.142 4.085 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -15.471 -7.426 2.740 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -13.770 -6.006 3.744 1.00 0.00 C ATOM 1361 CZ PHE A 89 -15.000 -6.148 3.083 1.00 0.00 C ATOM 0 H PHE A 89 -12.133 -8.825 6.926 1.00 0.00 H new ATOM 0 HA PHE A 89 -14.175 -10.507 5.661 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.690 -9.447 4.238 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -12.933 -10.470 3.547 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -15.074 -9.547 2.800 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -12.069 -7.031 4.586 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -16.410 -7.534 2.218 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -13.401 -5.021 3.991 1.00 0.00 H new ATOM 0 HZ PHE A 89 -15.585 -5.274 2.838 1.00 0.00 H new ATOM 1371 N LYS A 90 -12.829 -12.495 6.178 1.00 0.00 N ATOM 1372 CA LYS A 90 -12.069 -13.733 6.338 1.00 0.00 C ATOM 1373 C LYS A 90 -11.255 -14.008 5.063 1.00 0.00 C ATOM 1374 O LYS A 90 -11.793 -13.956 3.952 1.00 0.00 O ATOM 1375 CB LYS A 90 -13.027 -14.885 6.687 1.00 0.00 C ATOM 1376 CG LYS A 90 -13.249 -14.981 8.201 1.00 0.00 C ATOM 1377 CD LYS A 90 -14.129 -16.198 8.535 1.00 0.00 C ATOM 1378 CE LYS A 90 -14.553 -16.233 10.010 1.00 0.00 C ATOM 1379 NZ LYS A 90 -13.441 -16.590 10.931 1.00 0.00 N ATOM 0 H LYS A 90 -13.838 -12.635 6.133 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.360 -13.640 7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.983 -14.732 6.186 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.620 -15.825 6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.290 -15.066 8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.724 -14.070 8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -15.019 -16.182 7.905 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.585 -17.112 8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -14.949 -15.257 10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.362 -16.953 10.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.790 -16.597 11.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.077 -17.533 10.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.677 -15.890 10.841 1.00 0.00 H new ATOM 1393 N CYS A 91 -9.952 -14.262 5.224 1.00 0.00 N ATOM 1394 CA CYS A 91 -8.970 -14.379 4.144 1.00 0.00 C ATOM 1395 C CYS A 91 -7.668 -15.025 4.647 1.00 0.00 C ATOM 1396 O CYS A 91 -7.042 -14.527 5.582 1.00 0.00 O ATOM 1397 CB CYS A 91 -8.696 -12.977 3.573 1.00 0.00 C ATOM 1398 SG CYS A 91 -7.685 -13.132 2.071 1.00 0.00 S ATOM 0 H CYS A 91 -9.538 -14.397 6.146 1.00 0.00 H new ATOM 0 HA CYS A 91 -9.370 -15.024 3.361 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -9.636 -12.475 3.343 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.179 -12.365 4.312 1.00 0.00 H new ATOM 0 HG CYS A 91 -7.959 -12.153 1.260 1.00 0.00 H new ATOM 1404 N SER A 92 -7.215 -16.087 3.982 1.00 0.00 N ATOM 1405 CA SER A 92 -5.936 -16.752 4.292 1.00 0.00 C ATOM 1406 C SER A 92 -4.703 -15.953 3.802 1.00 0.00 C ATOM 1407 O SER A 92 -3.566 -16.259 4.170 1.00 0.00 O ATOM 1408 CB SER A 92 -5.964 -18.169 3.694 1.00 0.00 C ATOM 1409 OG SER A 92 -4.963 -19.008 4.258 1.00 0.00 O ATOM 0 H SER A 92 -7.722 -16.517 3.209 1.00 0.00 H new ATOM 0 HA SER A 92 -5.830 -16.806 5.375 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.945 -18.613 3.861 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.821 -18.110 2.615 1.00 0.00 H new ATOM 0 HG SER A 92 -4.176 -18.471 4.485 1.00 0.00 H new ATOM 1415 N ARG A 93 -4.921 -14.901 2.994 1.00 0.00 N ATOM 1416 CA ARG A 93 -3.889 -14.064 2.351 1.00 0.00 C ATOM 1417 C ARG A 93 -3.774 -12.663 2.985 1.00 0.00 C ATOM 1418 O ARG A 93 -3.284 -11.722 2.358 1.00 0.00 O ATOM 1419 CB ARG A 93 -4.171 -13.955 0.838 1.00 0.00 C ATOM 1420 CG ARG A 93 -4.467 -15.287 0.122 1.00 0.00 C ATOM 1421 CD ARG A 93 -3.369 -16.344 0.271 1.00 0.00 C ATOM 1422 NE ARG A 93 -2.131 -15.978 -0.443 1.00 0.00 N ATOM 1423 CZ ARG A 93 -0.927 -16.500 -0.233 1.00 0.00 C ATOM 1424 NH1 ARG A 93 -0.693 -17.361 0.735 1.00 0.00 N ATOM 1425 NH2 ARG A 93 0.077 -16.159 -1.012 1.00 0.00 N ATOM 0 H ARG A 93 -5.865 -14.595 2.759 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.929 -14.554 2.510 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -5.020 -13.287 0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.311 -13.488 0.358 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.401 -15.694 0.510 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.622 -15.089 -0.939 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.146 -16.485 1.329 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.734 -17.298 -0.108 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.206 -15.259 -1.163 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.450 -17.649 1.355 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.245 -17.740 0.865 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.070 -15.496 -1.773 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.003 -16.557 -0.854 1.00 0.00 H new ATOM 1439 N ALA A 94 -4.284 -12.484 4.208 1.00 0.00 N ATOM 1440 CA ALA A 94 -4.449 -11.173 4.841 1.00 0.00 C ATOM 1441 C ALA A 94 -3.144 -10.365 4.977 1.00 0.00 C ATOM 1442 O ALA A 94 -3.144 -9.162 4.719 1.00 0.00 O ATOM 1443 CB ALA A 94 -5.123 -11.385 6.200 1.00 0.00 C ATOM 0 H ALA A 94 -4.598 -13.258 4.794 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.073 -10.562 4.188 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.258 -10.422 6.693 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.094 -11.857 6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.497 -12.026 6.821 1.00 0.00 H new ATOM 1449 N GLU A 95 -2.033 -11.020 5.325 1.00 0.00 N ATOM 1450 CA GLU A 95 -0.715 -10.393 5.441 1.00 0.00 C ATOM 1451 C GLU A 95 -0.131 -10.010 4.075 1.00 0.00 C ATOM 1452 O GLU A 95 0.498 -8.963 3.934 1.00 0.00 O ATOM 1453 CB GLU A 95 0.219 -11.356 6.181 1.00 0.00 C ATOM 1454 CG GLU A 95 1.568 -10.700 6.496 1.00 0.00 C ATOM 1455 CD GLU A 95 2.500 -11.556 7.375 1.00 0.00 C ATOM 1456 OE1 GLU A 95 2.046 -12.506 8.057 1.00 0.00 O ATOM 1457 OE2 GLU A 95 3.724 -11.280 7.378 1.00 0.00 O ATOM 0 H GLU A 95 -2.025 -12.018 5.537 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.819 -9.464 6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.253 -11.682 7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.380 -12.247 5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.077 -10.475 5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.388 -9.749 6.997 1.00 0.00 H new ATOM 1464 N GLU A 96 -0.357 -10.832 3.053 1.00 0.00 N ATOM 1465 CA GLU A 96 0.036 -10.556 1.674 1.00 0.00 C ATOM 1466 C GLU A 96 -0.722 -9.339 1.127 1.00 0.00 C ATOM 1467 O GLU A 96 -0.109 -8.476 0.501 1.00 0.00 O ATOM 1468 CB GLU A 96 -0.195 -11.790 0.783 1.00 0.00 C ATOM 1469 CG GLU A 96 0.741 -12.976 1.078 1.00 0.00 C ATOM 1470 CD GLU A 96 0.541 -13.663 2.443 1.00 0.00 C ATOM 1471 OE1 GLU A 96 -0.572 -13.607 3.018 1.00 0.00 O ATOM 1472 OE2 GLU A 96 1.515 -14.274 2.943 1.00 0.00 O ATOM 0 H GLU A 96 -0.829 -11.729 3.164 1.00 0.00 H new ATOM 0 HA GLU A 96 1.101 -10.326 1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.227 -12.120 0.902 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.072 -11.497 -0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.610 -13.722 0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.771 -12.626 1.016 1.00 0.00 H new ATOM 1479 N ILE A 97 -2.022 -9.204 1.426 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.811 -7.998 1.096 1.00 0.00 C ATOM 1481 C ILE A 97 -2.243 -6.766 1.816 1.00 0.00 C ATOM 1482 O ILE A 97 -2.031 -5.729 1.184 1.00 0.00 O ATOM 1483 CB ILE A 97 -4.312 -8.202 1.428 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -4.936 -9.322 0.566 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -5.093 -6.892 1.200 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -6.287 -9.819 1.100 1.00 0.00 C ATOM 0 H ILE A 97 -2.561 -9.926 1.904 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.735 -7.826 0.022 1.00 0.00 H new ATOM 0 HB ILE A 97 -4.378 -8.494 2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.068 -8.956 -0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.242 -10.161 0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.145 -7.050 1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.689 -6.111 1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.997 -6.588 0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.669 -10.605 0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.157 -10.215 2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.995 -8.991 1.124 1.00 0.00 H new ATOM 1498 N PHE A 98 -1.951 -6.886 3.116 1.00 0.00 N ATOM 1499 CA PHE A 98 -1.373 -5.821 3.938 1.00 0.00 C ATOM 1500 C PHE A 98 -0.004 -5.346 3.401 1.00 0.00 C ATOM 1501 O PHE A 98 0.261 -4.141 3.361 1.00 0.00 O ATOM 1502 CB PHE A 98 -1.330 -6.335 5.383 1.00 0.00 C ATOM 1503 CG PHE A 98 -0.231 -5.800 6.268 1.00 0.00 C ATOM 1504 CD1 PHE A 98 -0.427 -4.633 7.026 1.00 0.00 C ATOM 1505 CD2 PHE A 98 0.971 -6.521 6.392 1.00 0.00 C ATOM 1506 CE1 PHE A 98 0.573 -4.203 7.913 1.00 0.00 C ATOM 1507 CE2 PHE A 98 1.977 -6.081 7.266 1.00 0.00 C ATOM 1508 CZ PHE A 98 1.775 -4.925 8.034 1.00 0.00 C ATOM 0 H PHE A 98 -2.115 -7.748 3.637 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.990 -4.923 3.899 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.286 -6.104 5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.243 -7.421 5.354 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -1.343 -4.069 6.927 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.120 -7.419 5.811 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.419 -3.313 8.506 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.903 -6.631 7.347 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.541 -4.589 8.717 1.00 0.00 H new ATOM 1518 N ASN A 99 0.839 -6.269 2.922 1.00 0.00 N ATOM 1519 CA ASN A 99 2.131 -5.963 2.299 1.00 0.00 C ATOM 1520 C ASN A 99 2.005 -5.383 0.879 1.00 0.00 C ATOM 1521 O ASN A 99 2.846 -4.575 0.483 1.00 0.00 O ATOM 1522 CB ASN A 99 3.010 -7.224 2.267 1.00 0.00 C ATOM 1523 CG ASN A 99 3.753 -7.444 3.579 1.00 0.00 C ATOM 1524 OD1 ASN A 99 4.808 -6.869 3.820 1.00 0.00 O ATOM 1525 ND2 ASN A 99 3.244 -8.288 4.455 1.00 0.00 N ATOM 0 H ASN A 99 0.638 -7.268 2.958 1.00 0.00 H new ATOM 0 HA ASN A 99 2.594 -5.191 2.913 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.387 -8.093 2.054 1.00 0.00 H new ATOM 0 HB3 ASN A 99 3.731 -7.141 1.453 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.729 -8.463 5.335 1.00 0.00 H new ATOM 0 HD22 ASN A 99 2.366 -8.765 4.252 1.00 0.00 H new ATOM 1532 N LEU A 100 0.975 -5.753 0.108 1.00 0.00 N ATOM 1533 CA LEU A 100 0.782 -5.254 -1.258 1.00 0.00 C ATOM 1534 C LEU A 100 0.145 -3.854 -1.251 1.00 0.00 C ATOM 1535 O LEU A 100 0.527 -3.010 -2.058 1.00 0.00 O ATOM 1536 CB LEU A 100 -0.026 -6.301 -2.052 1.00 0.00 C ATOM 1537 CG LEU A 100 0.272 -6.383 -3.564 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.588 -7.497 -4.171 1.00 0.00 C ATOM 1539 CD2 LEU A 100 0.023 -5.091 -4.341 1.00 0.00 C ATOM 0 H LEU A 100 0.253 -6.406 0.414 1.00 0.00 H new ATOM 0 HA LEU A 100 1.741 -5.125 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.157 -7.281 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.087 -6.087 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 100 1.340 -6.583 -3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.389 -7.568 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.345 -8.446 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.642 -7.270 -4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.260 -5.248 -5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.024 -4.804 -4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.655 -4.298 -3.941 1.00 0.00 H new ATOM 1551 N LEU A 101 -0.752 -3.565 -0.298 1.00 0.00 N ATOM 1552 CA LEU A 101 -1.419 -2.264 -0.161 1.00 0.00 C ATOM 1553 C LEU A 101 -0.434 -1.090 -0.121 1.00 0.00 C ATOM 1554 O LEU A 101 -0.498 -0.212 -0.982 1.00 0.00 O ATOM 1555 CB LEU A 101 -2.337 -2.284 1.083 1.00 0.00 C ATOM 1556 CG LEU A 101 -3.809 -2.582 0.748 1.00 0.00 C ATOM 1557 CD1 LEU A 101 -4.633 -2.652 2.035 1.00 0.00 C ATOM 1558 CD2 LEU A 101 -4.436 -1.502 -0.148 1.00 0.00 C ATOM 0 H LEU A 101 -1.039 -4.240 0.411 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.027 -2.103 -1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.972 -3.035 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.274 -1.320 1.588 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.820 -3.533 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.674 -2.863 1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.243 -3.444 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.570 -1.699 2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -5.475 -1.759 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.395 -0.539 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.883 -1.441 -1.086 1.00 0.00 H new ATOM 1570 N GLN A 102 0.515 -1.111 0.820 1.00 0.00 N ATOM 1571 CA GLN A 102 1.552 -0.079 0.950 1.00 0.00 C ATOM 1572 C GLN A 102 2.368 0.122 -0.344 1.00 0.00 C ATOM 1573 O GLN A 102 2.749 1.246 -0.664 1.00 0.00 O ATOM 1574 CB GLN A 102 2.493 -0.403 2.126 1.00 0.00 C ATOM 1575 CG GLN A 102 3.071 -1.827 2.066 1.00 0.00 C ATOM 1576 CD GLN A 102 4.323 -2.030 2.921 1.00 0.00 C ATOM 1577 OE1 GLN A 102 4.323 -1.858 4.135 1.00 0.00 O ATOM 1578 NE2 GLN A 102 5.436 -2.400 2.319 1.00 0.00 N ATOM 0 H GLN A 102 0.587 -1.850 1.519 1.00 0.00 H new ATOM 0 HA GLN A 102 1.032 0.859 1.146 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.313 0.315 2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.950 -0.278 3.063 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.305 -2.532 2.389 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.309 -2.068 1.030 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.446 -2.546 1.309 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.287 -2.541 2.863 1.00 0.00 H new ATOM 1587 N ASP A 103 2.601 -0.950 -1.107 1.00 0.00 N ATOM 1588 CA ASP A 103 3.467 -0.976 -2.287 1.00 0.00 C ATOM 1589 C ASP A 103 2.789 -0.385 -3.537 1.00 0.00 C ATOM 1590 O ASP A 103 3.483 0.017 -4.474 1.00 0.00 O ATOM 1591 CB ASP A 103 3.978 -2.412 -2.511 1.00 0.00 C ATOM 1592 CG ASP A 103 5.313 -2.673 -1.783 1.00 0.00 C ATOM 1593 OD1 ASP A 103 5.360 -2.611 -0.531 1.00 0.00 O ATOM 1594 OD2 ASP A 103 6.324 -2.938 -2.478 1.00 0.00 O ATOM 0 H ASP A 103 2.176 -1.856 -0.912 1.00 0.00 H new ATOM 0 HA ASP A 103 4.323 -0.327 -2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.229 -3.122 -2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 103 4.107 -2.588 -3.579 1.00 0.00 H new ATOM 1599 N LEU A 104 1.457 -0.255 -3.523 1.00 0.00 N ATOM 1600 CA LEU A 104 0.686 0.489 -4.526 1.00 0.00 C ATOM 1601 C LEU A 104 0.412 1.920 -4.054 1.00 0.00 C ATOM 1602 O LEU A 104 0.500 2.853 -4.850 1.00 0.00 O ATOM 1603 CB LEU A 104 -0.631 -0.242 -4.833 1.00 0.00 C ATOM 1604 CG LEU A 104 -0.453 -1.686 -5.336 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -1.831 -2.281 -5.630 1.00 0.00 C ATOM 1606 CD2 LEU A 104 0.418 -1.786 -6.594 1.00 0.00 C ATOM 0 H LEU A 104 0.873 -0.673 -2.799 1.00 0.00 H new ATOM 0 HA LEU A 104 1.276 0.545 -5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.243 -0.257 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.182 0.326 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 104 0.061 -2.240 -4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.717 -3.304 -5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.430 -2.279 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.330 -1.684 -6.393 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.503 -2.830 -6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.039 -1.212 -7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.410 -1.387 -6.382 1.00 0.00 H new ATOM 1618 N MET A 105 0.157 2.111 -2.757 1.00 0.00 N ATOM 1619 CA MET A 105 -0.091 3.430 -2.156 1.00 0.00 C ATOM 1620 C MET A 105 1.146 4.346 -2.204 1.00 0.00 C ATOM 1621 O MET A 105 1.004 5.557 -2.375 1.00 0.00 O ATOM 1622 CB MET A 105 -0.590 3.243 -0.718 1.00 0.00 C ATOM 1623 CG MET A 105 -1.978 2.590 -0.684 1.00 0.00 C ATOM 1624 SD MET A 105 -2.539 2.068 0.957 1.00 0.00 S ATOM 1625 CE MET A 105 -3.462 3.540 1.462 1.00 0.00 C ATOM 0 H MET A 105 0.116 1.346 -2.084 1.00 0.00 H new ATOM 0 HA MET A 105 -0.857 3.933 -2.746 1.00 0.00 H new ATOM 0 HB2 MET A 105 0.117 2.626 -0.164 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.630 4.210 -0.217 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.704 3.293 -1.093 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.970 1.721 -1.342 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.617 3.520 2.541 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.898 4.433 1.193 1.00 0.00 H new ATOM 0 HE3 MET A 105 -4.428 3.555 0.957 1.00 0.00 H new ATOM 2271 N PHE B 2 -20.741 -5.513 5.679 1.00 0.00 N ATOM 2272 CA PHE B 2 -20.984 -5.315 7.115 1.00 0.00 C ATOM 2273 C PHE B 2 -20.162 -4.135 7.654 1.00 0.00 C ATOM 2274 O PHE B 2 -19.069 -3.856 7.163 1.00 0.00 O ATOM 2275 CB PHE B 2 -20.725 -6.605 7.908 1.00 0.00 C ATOM 2276 CG PHE B 2 -21.342 -6.570 9.294 1.00 0.00 C ATOM 2277 CD1 PHE B 2 -22.673 -6.995 9.472 1.00 0.00 C ATOM 2278 CD2 PHE B 2 -20.615 -6.076 10.397 1.00 0.00 C ATOM 2279 CE1 PHE B 2 -23.270 -6.942 10.742 1.00 0.00 C ATOM 2280 CE2 PHE B 2 -21.227 -5.994 11.662 1.00 0.00 C ATOM 2281 CZ PHE B 2 -22.551 -6.430 11.837 1.00 0.00 C ATOM 0 HA PHE B 2 -22.037 -5.065 7.248 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -21.128 -7.454 7.356 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -19.650 -6.764 7.996 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -23.237 -7.363 8.628 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -19.590 -5.761 10.271 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -24.282 -7.295 10.878 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -20.677 -5.594 12.501 1.00 0.00 H new ATOM 0 HZ PHE B 2 -23.016 -6.372 12.810 1.00 0.00 H new ATOM 2291 N ARG B 3 -20.704 -3.461 8.673 1.00 0.00 N ATOM 2292 CA ARG B 3 -20.175 -2.231 9.268 1.00 0.00 C ATOM 2293 C ARG B 3 -19.843 -2.470 10.747 1.00 0.00 C ATOM 2294 O ARG B 3 -20.718 -2.439 11.616 1.00 0.00 O ATOM 2295 CB ARG B 3 -21.146 -1.050 9.030 1.00 0.00 C ATOM 2296 CG ARG B 3 -22.651 -1.347 9.225 1.00 0.00 C ATOM 2297 CD ARG B 3 -23.354 -1.836 7.944 1.00 0.00 C ATOM 2298 NE ARG B 3 -24.686 -2.384 8.251 1.00 0.00 N ATOM 2299 CZ ARG B 3 -25.348 -3.318 7.575 1.00 0.00 C ATOM 2300 NH1 ARG B 3 -24.876 -3.875 6.478 1.00 0.00 N ATOM 2301 NH2 ARG B 3 -26.526 -3.712 8.010 1.00 0.00 N ATOM 0 H ARG B 3 -21.563 -3.773 9.126 1.00 0.00 H new ATOM 0 HA ARG B 3 -19.242 -1.951 8.780 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -20.868 -0.238 9.702 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -20.999 -0.686 8.013 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -22.766 -2.101 10.003 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -23.148 -0.444 9.580 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -23.450 -1.010 7.239 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -22.745 -2.599 7.459 1.00 0.00 H new ATOM 0 HE ARG B 3 -25.153 -2.004 9.075 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -23.966 -3.593 6.114 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -25.421 -4.588 5.993 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -26.921 -3.302 8.856 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -27.044 -4.428 7.501 1.00 0.00 H new ATOM 2315 N LEU B 4 -18.570 -2.745 11.042 1.00 0.00 N ATOM 2316 CA LEU B 4 -18.073 -2.944 12.407 1.00 0.00 C ATOM 2317 C LEU B 4 -18.004 -1.627 13.187 1.00 0.00 C ATOM 2318 O LEU B 4 -17.880 -0.540 12.619 1.00 0.00 O ATOM 2319 CB LEU B 4 -16.686 -3.610 12.385 1.00 0.00 C ATOM 2320 CG LEU B 4 -16.665 -5.099 12.034 1.00 0.00 C ATOM 2321 CD1 LEU B 4 -15.199 -5.538 11.982 1.00 0.00 C ATOM 2322 CD2 LEU B 4 -17.385 -5.986 13.048 1.00 0.00 C ATOM 0 H LEU B 4 -17.845 -2.837 10.330 1.00 0.00 H new ATOM 0 HA LEU B 4 -18.781 -3.599 12.915 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -16.061 -3.079 11.668 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -16.227 -3.481 13.365 1.00 0.00 H new ATOM 0 HG LEU B 4 -17.187 -5.216 11.084 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -15.145 -6.598 11.734 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -14.673 -4.960 11.222 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -14.734 -5.369 12.953 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -17.326 -7.026 12.728 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -16.913 -5.879 14.025 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -18.431 -5.686 13.116 1.00 0.00 H new ATOM 2334 N ARG B 5 -18.050 -1.777 14.512 1.00 0.00 N ATOM 2335 CA ARG B 5 -17.954 -0.692 15.501 1.00 0.00 C ATOM 2336 C ARG B 5 -16.535 -0.540 16.095 1.00 0.00 C ATOM 2337 O ARG B 5 -16.243 0.469 16.737 1.00 0.00 O ATOM 2338 CB ARG B 5 -18.994 -0.922 16.614 1.00 0.00 C ATOM 2339 CG ARG B 5 -20.447 -0.588 16.224 1.00 0.00 C ATOM 2340 CD ARG B 5 -21.078 -1.484 15.145 1.00 0.00 C ATOM 2341 NE ARG B 5 -22.548 -1.379 15.171 1.00 0.00 N ATOM 2342 CZ ARG B 5 -23.407 -1.976 14.351 1.00 0.00 C ATOM 2343 NH1 ARG B 5 -23.023 -2.635 13.277 1.00 0.00 N ATOM 2344 NH2 ARG B 5 -24.694 -1.914 14.613 1.00 0.00 N ATOM 0 H ARG B 5 -18.159 -2.693 14.947 1.00 0.00 H new ATOM 0 HA ARG B 5 -18.165 0.245 14.985 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -18.947 -1.966 16.925 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -18.718 -0.319 17.479 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -21.065 -0.643 17.120 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -20.481 0.444 15.876 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -20.706 -1.195 14.162 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -20.780 -2.520 15.306 1.00 0.00 H new ATOM 0 HE ARG B 5 -22.949 -0.784 15.896 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -22.032 -2.702 13.047 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -23.717 -3.078 12.675 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -25.023 -1.412 15.438 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -25.363 -2.368 13.992 1.00 0.00 H new ATOM 2358 N HIS B 6 -15.645 -1.513 15.863 1.00 0.00 N ATOM 2359 CA HIS B 6 -14.277 -1.597 16.404 1.00 0.00 C ATOM 2360 C HIS B 6 -13.311 -2.225 15.376 1.00 0.00 C ATOM 2361 O HIS B 6 -13.731 -3.058 14.567 1.00 0.00 O ATOM 2362 CB HIS B 6 -14.297 -2.444 17.690 1.00 0.00 C ATOM 2363 CG HIS B 6 -15.240 -1.952 18.757 1.00 0.00 C ATOM 2364 ND1 HIS B 6 -14.950 -0.973 19.709 1.00 0.00 N ATOM 2365 CD2 HIS B 6 -16.514 -2.399 18.953 1.00 0.00 C ATOM 2366 CE1 HIS B 6 -16.062 -0.852 20.453 1.00 0.00 C ATOM 2367 NE2 HIS B 6 -17.019 -1.694 20.022 1.00 0.00 N ATOM 0 H HIS B 6 -15.869 -2.306 15.262 1.00 0.00 H new ATOM 0 HA HIS B 6 -13.924 -0.590 16.625 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -14.567 -3.467 17.430 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -13.289 -2.476 18.103 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -17.027 -3.158 18.381 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -16.173 -0.171 21.284 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -17.954 -1.793 20.418 1.00 0.00 H new ATOM 2375 N PHE B 7 -12.024 -1.849 15.390 1.00 0.00 N ATOM 2376 CA PHE B 7 -11.043 -2.352 14.420 1.00 0.00 C ATOM 2377 C PHE B 7 -10.437 -3.698 14.891 1.00 0.00 C ATOM 2378 O PHE B 7 -9.878 -3.741 15.992 1.00 0.00 O ATOM 2379 CB PHE B 7 -9.988 -1.268 14.132 1.00 0.00 C ATOM 2380 CG PHE B 7 -9.259 -1.492 12.822 1.00 0.00 C ATOM 2381 CD1 PHE B 7 -9.983 -1.516 11.617 1.00 0.00 C ATOM 2382 CD2 PHE B 7 -7.871 -1.719 12.797 1.00 0.00 C ATOM 2383 CE1 PHE B 7 -9.345 -1.839 10.412 1.00 0.00 C ATOM 2384 CE2 PHE B 7 -7.230 -2.033 11.587 1.00 0.00 C ATOM 2385 CZ PHE B 7 -7.966 -2.101 10.393 1.00 0.00 C ATOM 0 H PHE B 7 -11.637 -1.193 16.068 1.00 0.00 H new ATOM 0 HA PHE B 7 -11.540 -2.568 13.474 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -10.473 -0.292 14.111 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -9.264 -1.246 14.947 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -11.038 -1.284 11.620 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -7.297 -1.652 13.709 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -9.915 -1.886 9.496 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -6.167 -2.223 11.575 1.00 0.00 H new ATOM 0 HZ PHE B 7 -7.474 -2.353 9.465 1.00 0.00 H new ATOM 2395 N PRO B 8 -10.561 -4.798 14.113 1.00 0.00 N ATOM 2396 CA PRO B 8 -10.224 -6.148 14.570 1.00 0.00 C ATOM 2397 C PRO B 8 -8.736 -6.515 14.444 1.00 0.00 C ATOM 2398 O PRO B 8 -8.294 -7.449 15.113 1.00 0.00 O ATOM 2399 CB PRO B 8 -11.085 -7.079 13.710 1.00 0.00 C ATOM 2400 CG PRO B 8 -11.163 -6.334 12.379 1.00 0.00 C ATOM 2401 CD PRO B 8 -11.230 -4.873 12.817 1.00 0.00 C ATOM 0 HA PRO B 8 -10.420 -6.232 15.639 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -10.629 -8.062 13.597 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -12.072 -7.234 14.145 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -10.292 -6.530 11.753 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -12.041 -6.625 11.803 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -10.739 -4.227 12.089 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -12.264 -4.538 12.894 1.00 0.00 H new ATOM 2409 N CYS B 9 -7.960 -5.816 13.605 1.00 0.00 N ATOM 2410 CA CYS B 9 -6.576 -6.186 13.285 1.00 0.00 C ATOM 2411 C CYS B 9 -5.562 -5.551 14.252 1.00 0.00 C ATOM 2412 O CYS B 9 -5.508 -4.325 14.387 1.00 0.00 O ATOM 2413 CB CYS B 9 -6.289 -5.797 11.828 1.00 0.00 C ATOM 2414 SG CYS B 9 -7.338 -6.777 10.716 1.00 0.00 S ATOM 0 H CYS B 9 -8.277 -4.973 13.127 1.00 0.00 H new ATOM 0 HA CYS B 9 -6.463 -7.263 13.405 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -6.480 -4.734 11.681 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -5.238 -5.967 11.596 1.00 0.00 H new ATOM 0 HG CYS B 9 -6.818 -7.958 10.558 1.00 0.00 H new ATOM 2420 N GLY B 10 -4.725 -6.379 14.890 1.00 0.00 N ATOM 2421 CA GLY B 10 -3.678 -5.935 15.826 1.00 0.00 C ATOM 2422 C GLY B 10 -2.406 -5.409 15.151 1.00 0.00 C ATOM 2423 O GLY B 10 -1.609 -4.737 15.803 1.00 0.00 O ATOM 0 H GLY B 10 -4.755 -7.392 14.770 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -4.087 -5.151 16.464 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -3.412 -6.769 16.476 1.00 0.00 H new ATOM 2427 N ASN B 11 -2.236 -5.667 13.849 1.00 0.00 N ATOM 2428 CA ASN B 11 -1.193 -5.085 12.997 1.00 0.00 C ATOM 2429 C ASN B 11 -1.849 -4.210 11.915 1.00 0.00 C ATOM 2430 O ASN B 11 -2.777 -4.662 11.242 1.00 0.00 O ATOM 2431 CB ASN B 11 -0.361 -6.209 12.363 1.00 0.00 C ATOM 2432 CG ASN B 11 0.427 -7.021 13.388 1.00 0.00 C ATOM 2433 OD1 ASN B 11 1.131 -6.483 14.236 1.00 0.00 O ATOM 2434 ND2 ASN B 11 0.341 -8.339 13.337 1.00 0.00 N ATOM 0 H ASN B 11 -2.843 -6.310 13.342 1.00 0.00 H new ATOM 0 HA ASN B 11 -0.529 -4.460 13.594 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -1.023 -6.876 11.811 1.00 0.00 H new ATOM 0 HB3 ASN B 11 0.331 -5.777 11.640 1.00 0.00 H new ATOM 0 HD21 ASN B 11 0.861 -8.910 14.004 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -0.245 -8.785 12.631 1.00 0.00 H new ATOM 2441 N VAL B 12 -1.388 -2.966 11.755 1.00 0.00 N ATOM 2442 CA VAL B 12 -2.023 -1.925 10.938 1.00 0.00 C ATOM 2443 C VAL B 12 -1.006 -0.847 10.536 1.00 0.00 C ATOM 2444 O VAL B 12 -0.041 -0.598 11.258 1.00 0.00 O ATOM 2445 CB VAL B 12 -3.222 -1.325 11.715 1.00 0.00 C ATOM 2446 CG1 VAL B 12 -2.819 -0.460 12.917 1.00 0.00 C ATOM 2447 CG2 VAL B 12 -4.133 -0.490 10.824 1.00 0.00 C ATOM 0 H VAL B 12 -0.532 -2.644 12.206 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.396 -2.366 10.014 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.753 -2.203 12.082 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.715 -0.078 13.407 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.248 -1.062 13.624 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.208 0.375 12.575 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.957 -0.093 11.417 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.565 0.335 10.394 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.530 -1.114 10.023 1.00 0.00 H new ATOM 2457 N ASN B 13 -1.232 -0.207 9.388 1.00 0.00 N ATOM 2458 CA ASN B 13 -0.390 0.845 8.808 1.00 0.00 C ATOM 2459 C ASN B 13 -1.176 1.769 7.851 1.00 0.00 C ATOM 2460 O ASN B 13 -2.386 1.623 7.662 1.00 0.00 O ATOM 2461 CB ASN B 13 0.881 0.242 8.156 1.00 0.00 C ATOM 2462 CG ASN B 13 0.647 -0.774 7.045 1.00 0.00 C ATOM 2463 OD1 ASN B 13 -0.356 -1.465 7.000 1.00 0.00 O ATOM 2464 ND2 ASN B 13 1.588 -0.921 6.130 1.00 0.00 N ATOM 0 H ASN B 13 -2.045 -0.416 8.809 1.00 0.00 H new ATOM 0 HA ASN B 13 -0.057 1.488 9.623 1.00 0.00 H new ATOM 0 HB2 ASN B 13 1.480 1.059 7.753 1.00 0.00 H new ATOM 0 HB3 ASN B 13 1.474 -0.234 8.937 1.00 0.00 H new ATOM 0 HD21 ASN B 13 1.474 -1.612 5.388 1.00 0.00 H new ATOM 0 HD22 ASN B 13 2.428 -0.344 6.165 1.00 0.00 H new ATOM 2471 N TYR B 14 -0.475 2.761 7.287 1.00 0.00 N ATOM 2472 CA TYR B 14 -1.018 3.841 6.452 1.00 0.00 C ATOM 2473 C TYR B 14 -0.064 4.112 5.267 1.00 0.00 C ATOM 2474 O TYR B 14 1.155 4.167 5.457 1.00 0.00 O ATOM 2475 CB TYR B 14 -1.227 5.121 7.293 1.00 0.00 C ATOM 2476 CG TYR B 14 -1.422 4.928 8.791 1.00 0.00 C ATOM 2477 CD1 TYR B 14 -2.649 4.460 9.306 1.00 0.00 C ATOM 2478 CD2 TYR B 14 -0.350 5.184 9.672 1.00 0.00 C ATOM 2479 CE1 TYR B 14 -2.800 4.248 10.690 1.00 0.00 C ATOM 2480 CE2 TYR B 14 -0.499 4.979 11.057 1.00 0.00 C ATOM 2481 CZ TYR B 14 -1.727 4.508 11.572 1.00 0.00 C ATOM 2482 OH TYR B 14 -1.884 4.298 12.908 1.00 0.00 O ATOM 0 H TYR B 14 0.535 2.836 7.406 1.00 0.00 H new ATOM 0 HA TYR B 14 -1.988 3.536 6.059 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -0.366 5.772 7.143 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -2.097 5.648 6.901 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -3.474 4.264 8.638 1.00 0.00 H new ATOM 0 HD2 TYR B 14 0.592 5.540 9.281 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -3.740 3.885 11.079 1.00 0.00 H new ATOM 0 HE2 TYR B 14 0.325 5.182 11.725 1.00 0.00 H new ATOM 0 HH TYR B 14 -1.052 4.524 13.375 1.00 0.00 H new