USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=23 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 80 CYS SG : rot -75:sc= 0.647 USER MOD Set 1.2: A 82 THR OG1 : rot 135:sc= 0.914 USER MOD Set 2.1: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 11 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Set 3.1: A 65 TYR OH : rot -44:sc= 0.431 USER MOD Set 3.2: B 13 ASN : amide:sc= 0.179 X(o=0.61,f=0.87) USER MOD Set 4.1: A 17 HIS : no HD1:sc= 0.195 K(o=0.19,f=-5.7!) USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 158:sc= -0.11 (180deg=-0.473) USER MOD Single : A 24 THR OG1 : rot 9:sc= 0.246 USER MOD Single : A 25 ASN :FLIP amide:sc= 0.996 F(o=0.045,f=1) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00191 USER MOD Single : A 38 MET CE :methyl -163:sc=-0.00361 (180deg=-0.58) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.524 USER MOD Single : A 42 GLN : amide:sc= 0.523 K(o=0.52,f=-4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.939 K(o=0.94,f=-2.8!) USER MOD Single : A 59 TYR OH : rot 172:sc= 1.25 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.12 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.152 X(o=0.15,f=-0.11) USER MOD Single : A 73 SER OG : rot 38:sc= 0.095 USER MOD Single : A 76 SER OG : rot -167:sc= 0.0224 USER MOD Single : A 81 GLN : amide:sc= 1.03 K(o=1,f=-2.8!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 90 LYS NZ :NH3+ 145:sc= 0.745 (180deg=0.158) USER MOD Single : A 91 CYS SG : rot -130:sc= 0.0446 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0.557 K(o=0.56,f=-0.63) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl -131:sc= -0.163 (180deg=-0.414) USER MOD Single : B 6 HIS : no HD1:sc= 0.653 K(o=0.65,f=-2.2!) USER MOD Single : B 9 CYS SG : rot -80:sc= -0.128 USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N HIS A 17 -3.848 -16.657 -5.616 1.00 0.00 N ATOM 203 CA HIS A 17 -3.382 -15.734 -6.668 1.00 0.00 C ATOM 204 C HIS A 17 -2.736 -14.430 -6.120 1.00 0.00 C ATOM 205 O HIS A 17 -3.285 -13.840 -5.181 1.00 0.00 O ATOM 206 CB HIS A 17 -4.561 -15.387 -7.591 1.00 0.00 C ATOM 207 CG HIS A 17 -4.128 -14.821 -8.909 1.00 0.00 C ATOM 208 ND1 HIS A 17 -3.841 -13.478 -9.139 1.00 0.00 N ATOM 209 CD2 HIS A 17 -3.830 -15.540 -10.029 1.00 0.00 C ATOM 210 CE1 HIS A 17 -3.373 -13.420 -10.397 1.00 0.00 C ATOM 211 NE2 HIS A 17 -3.361 -14.641 -10.959 1.00 0.00 N ATOM 0 HA HIS A 17 -2.595 -16.251 -7.216 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.155 -16.284 -7.765 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.209 -14.668 -7.089 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.941 -16.606 -10.160 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.050 -12.515 -10.890 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -3.058 -14.862 -11.907 1.00 0.00 H new ATOM 219 N PRO A 18 -1.605 -13.953 -6.691 1.00 0.00 N ATOM 220 CA PRO A 18 -0.880 -12.785 -6.185 1.00 0.00 C ATOM 221 C PRO A 18 -1.602 -11.437 -6.361 1.00 0.00 C ATOM 222 O PRO A 18 -1.162 -10.463 -5.749 1.00 0.00 O ATOM 223 CB PRO A 18 0.474 -12.797 -6.906 1.00 0.00 C ATOM 224 CG PRO A 18 0.174 -13.525 -8.213 1.00 0.00 C ATOM 225 CD PRO A 18 -0.843 -14.572 -7.770 1.00 0.00 C ATOM 0 HA PRO A 18 -0.785 -12.867 -5.102 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.843 -11.787 -7.084 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.235 -13.316 -6.323 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.235 -12.854 -8.969 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.068 -13.980 -8.640 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.495 -14.858 -8.595 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.346 -15.480 -7.427 1.00 0.00 H new ATOM 233 N THR A 19 -2.695 -11.356 -7.145 1.00 0.00 N ATOM 234 CA THR A 19 -3.475 -10.115 -7.331 1.00 0.00 C ATOM 235 C THR A 19 -4.985 -10.283 -7.164 1.00 0.00 C ATOM 236 O THR A 19 -5.661 -9.280 -6.935 1.00 0.00 O ATOM 237 CB THR A 19 -3.158 -9.432 -8.669 1.00 0.00 C ATOM 238 OG1 THR A 19 -3.578 -10.239 -9.744 1.00 0.00 O ATOM 239 CG2 THR A 19 -1.663 -9.176 -8.848 1.00 0.00 C ATOM 0 H THR A 19 -3.063 -12.150 -7.668 1.00 0.00 H new ATOM 0 HA THR A 19 -3.150 -9.468 -6.516 1.00 0.00 H new ATOM 0 HB THR A 19 -3.689 -8.480 -8.659 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.371 -9.790 -10.590 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.489 -8.692 -9.809 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.306 -8.530 -8.046 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.125 -10.124 -8.817 1.00 0.00 H new ATOM 247 N LYS A 20 -5.521 -11.512 -7.205 1.00 0.00 N ATOM 248 CA LYS A 20 -6.947 -11.788 -6.946 1.00 0.00 C ATOM 249 C LYS A 20 -7.130 -12.637 -5.676 1.00 0.00 C ATOM 250 O LYS A 20 -7.024 -13.865 -5.699 1.00 0.00 O ATOM 251 CB LYS A 20 -7.612 -12.444 -8.177 1.00 0.00 C ATOM 252 CG LYS A 20 -7.971 -11.451 -9.291 1.00 0.00 C ATOM 253 CD LYS A 20 -6.769 -11.062 -10.170 1.00 0.00 C ATOM 254 CE LYS A 20 -6.933 -11.497 -11.631 1.00 0.00 C ATOM 255 NZ LYS A 20 -6.794 -12.967 -11.803 1.00 0.00 N ATOM 0 H LYS A 20 -4.977 -12.348 -7.419 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.450 -10.837 -6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.940 -13.201 -8.581 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.518 -12.960 -7.857 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.747 -11.887 -9.921 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.392 -10.550 -8.844 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.631 -9.981 -10.131 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.865 -11.513 -9.761 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.912 -11.182 -11.993 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.188 -10.990 -12.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.913 -13.212 -12.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.851 -13.266 -11.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.521 -13.453 -11.240 1.00 0.00 H new ATOM 269 N PHE A 21 -7.458 -11.977 -4.568 1.00 0.00 N ATOM 270 CA PHE A 21 -7.584 -12.582 -3.244 1.00 0.00 C ATOM 271 C PHE A 21 -9.064 -12.887 -2.971 1.00 0.00 C ATOM 272 O PHE A 21 -9.895 -11.983 -2.921 1.00 0.00 O ATOM 273 CB PHE A 21 -6.980 -11.623 -2.203 1.00 0.00 C ATOM 274 CG PHE A 21 -5.540 -11.195 -2.459 1.00 0.00 C ATOM 275 CD1 PHE A 21 -5.265 -10.066 -3.260 1.00 0.00 C ATOM 276 CD2 PHE A 21 -4.469 -11.905 -1.879 1.00 0.00 C ATOM 277 CE1 PHE A 21 -3.937 -9.661 -3.482 1.00 0.00 C ATOM 278 CE2 PHE A 21 -3.141 -11.493 -2.093 1.00 0.00 C ATOM 279 CZ PHE A 21 -2.875 -10.370 -2.895 1.00 0.00 C ATOM 0 H PHE A 21 -7.649 -10.975 -4.567 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.039 -13.524 -3.186 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.602 -10.730 -2.154 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.030 -12.100 -1.224 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.078 -9.511 -3.704 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.669 -12.771 -1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.733 -8.803 -4.105 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.326 -12.039 -1.641 1.00 0.00 H new ATOM 0 HZ PHE A 21 -1.856 -10.052 -3.060 1.00 0.00 H new ATOM 289 N LYS A 22 -9.426 -14.162 -2.816 1.00 0.00 N ATOM 290 CA LYS A 22 -10.817 -14.562 -2.541 1.00 0.00 C ATOM 291 C LYS A 22 -11.171 -14.288 -1.071 1.00 0.00 C ATOM 292 O LYS A 22 -10.389 -14.605 -0.171 1.00 0.00 O ATOM 293 CB LYS A 22 -11.032 -16.026 -2.960 1.00 0.00 C ATOM 294 CG LYS A 22 -11.052 -16.099 -4.493 1.00 0.00 C ATOM 295 CD LYS A 22 -10.980 -17.530 -5.045 1.00 0.00 C ATOM 296 CE LYS A 22 -10.668 -17.519 -6.550 1.00 0.00 C ATOM 297 NZ LYS A 22 -9.328 -16.945 -6.845 1.00 0.00 N ATOM 0 H LYS A 22 -8.774 -14.944 -2.876 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.504 -13.961 -3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.235 -16.654 -2.562 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.970 -16.403 -2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.962 -15.624 -4.858 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.213 -15.525 -4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.211 -18.091 -4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.927 -18.041 -4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.718 -18.537 -6.936 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.431 -16.942 -7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.003 -17.282 -7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.390 -15.907 -6.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.653 -17.244 -6.112 1.00 0.00 H new ATOM 311 N VAL A 23 -12.336 -13.678 -0.838 1.00 0.00 N ATOM 312 CA VAL A 23 -12.734 -13.127 0.471 1.00 0.00 C ATOM 313 C VAL A 23 -14.204 -13.399 0.798 1.00 0.00 C ATOM 314 O VAL A 23 -14.987 -13.773 -0.074 1.00 0.00 O ATOM 315 CB VAL A 23 -12.449 -11.607 0.575 1.00 0.00 C ATOM 316 CG1 VAL A 23 -10.952 -11.270 0.516 1.00 0.00 C ATOM 317 CG2 VAL A 23 -13.200 -10.771 -0.474 1.00 0.00 C ATOM 0 H VAL A 23 -13.044 -13.548 -1.561 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.120 -13.647 1.206 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.827 -11.335 1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.819 -10.191 0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.436 -11.760 1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.537 -11.620 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -12.954 -9.717 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.905 -11.091 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.274 -10.911 -0.350 1.00 0.00 H new ATOM 327 N THR A 24 -14.584 -13.175 2.061 1.00 0.00 N ATOM 328 CA THR A 24 -15.969 -13.232 2.547 1.00 0.00 C ATOM 329 C THR A 24 -16.146 -12.197 3.640 1.00 0.00 C ATOM 330 O THR A 24 -15.388 -12.192 4.603 1.00 0.00 O ATOM 331 CB THR A 24 -16.290 -14.649 3.041 1.00 0.00 C ATOM 332 OG1 THR A 24 -16.401 -15.496 1.918 1.00 0.00 O ATOM 333 CG2 THR A 24 -17.623 -14.742 3.777 1.00 0.00 C ATOM 0 H THR A 24 -13.916 -12.942 2.796 1.00 0.00 H new ATOM 0 HA THR A 24 -16.667 -13.004 1.741 1.00 0.00 H new ATOM 0 HB THR A 24 -15.490 -14.931 3.725 1.00 0.00 H new ATOM 0 HG1 THR A 24 -16.107 -15.016 1.116 1.00 0.00 H new ATOM 0 HG21 THR A 24 -17.790 -15.770 4.100 1.00 0.00 H new ATOM 0 HG22 THR A 24 -17.604 -14.087 4.648 1.00 0.00 H new ATOM 0 HG23 THR A 24 -18.429 -14.436 3.110 1.00 0.00 H new ATOM 341 N ASN A 25 -17.132 -11.312 3.496 1.00 0.00 N ATOM 342 CA ASN A 25 -17.459 -10.296 4.498 1.00 0.00 C ATOM 343 C ASN A 25 -17.990 -10.967 5.778 1.00 0.00 C ATOM 344 O ASN A 25 -18.850 -11.851 5.700 1.00 0.00 O ATOM 345 CB ASN A 25 -18.466 -9.298 3.896 1.00 0.00 C ATOM 346 CG ASN A 25 -18.722 -8.090 4.793 1.00 0.00 C ATOM 347 OD1 ASN A 25 -17.708 -7.301 5.095 1.00 0.00 O flip ATOM 348 ND2 ASN A 25 -19.838 -7.834 5.224 1.00 0.00 N flip ATOM 0 H ASN A 25 -17.733 -11.279 2.672 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.565 -9.740 4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -18.094 -8.954 2.931 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.410 -9.811 3.710 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -20.625 -8.440 4.994 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -19.981 -7.014 5.814 1.00 0.00 H new ATOM 355 N VAL A 26 -17.475 -10.557 6.939 1.00 0.00 N ATOM 356 CA VAL A 26 -17.784 -11.151 8.248 1.00 0.00 C ATOM 357 C VAL A 26 -18.147 -10.103 9.305 1.00 0.00 C ATOM 358 O VAL A 26 -17.773 -8.935 9.198 1.00 0.00 O ATOM 359 CB VAL A 26 -16.652 -12.062 8.781 1.00 0.00 C ATOM 360 CG1 VAL A 26 -16.385 -13.267 7.869 1.00 0.00 C ATOM 361 CG2 VAL A 26 -15.325 -11.322 9.025 1.00 0.00 C ATOM 0 H VAL A 26 -16.814 -9.783 7.000 1.00 0.00 H new ATOM 0 HA VAL A 26 -18.661 -11.773 8.069 1.00 0.00 H new ATOM 0 HB VAL A 26 -17.028 -12.412 9.742 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.582 -13.872 8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -17.289 -13.870 7.789 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -16.094 -12.916 6.879 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.580 -12.025 9.398 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.975 -10.884 8.090 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.479 -10.532 9.760 1.00 0.00 H new ATOM 371 N ASP A 27 -18.882 -10.546 10.326 1.00 0.00 N ATOM 372 CA ASP A 27 -19.320 -9.728 11.466 1.00 0.00 C ATOM 373 C ASP A 27 -18.317 -9.709 12.652 1.00 0.00 C ATOM 374 O ASP A 27 -17.178 -10.165 12.540 1.00 0.00 O ATOM 375 CB ASP A 27 -20.701 -10.243 11.911 1.00 0.00 C ATOM 376 CG ASP A 27 -20.585 -11.431 12.870 1.00 0.00 C ATOM 377 OD1 ASP A 27 -19.778 -12.348 12.600 1.00 0.00 O ATOM 378 OD2 ASP A 27 -21.229 -11.384 13.940 1.00 0.00 O ATOM 0 H ASP A 27 -19.200 -11.513 10.388 1.00 0.00 H new ATOM 0 HA ASP A 27 -19.375 -8.690 11.139 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -21.250 -9.436 12.397 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -21.278 -10.539 11.035 1.00 0.00 H new ATOM 383 N ASP A 28 -18.767 -9.222 13.818 1.00 0.00 N ATOM 384 CA ASP A 28 -18.041 -9.265 15.097 1.00 0.00 C ATOM 385 C ASP A 28 -17.699 -10.690 15.587 1.00 0.00 C ATOM 386 O ASP A 28 -16.634 -10.883 16.178 1.00 0.00 O ATOM 387 CB ASP A 28 -18.876 -8.553 16.178 1.00 0.00 C ATOM 388 CG ASP A 28 -18.498 -7.075 16.339 1.00 0.00 C ATOM 389 OD1 ASP A 28 -17.435 -6.813 16.948 1.00 0.00 O ATOM 390 OD2 ASP A 28 -19.273 -6.196 15.897 1.00 0.00 O ATOM 0 H ASP A 28 -19.678 -8.771 13.900 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.090 -8.762 14.922 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -19.933 -8.628 15.923 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -18.741 -9.064 17.131 1.00 0.00 H new ATOM 395 N GLU A 29 -18.562 -11.690 15.351 1.00 0.00 N ATOM 396 CA GLU A 29 -18.299 -13.093 15.719 1.00 0.00 C ATOM 397 C GLU A 29 -17.389 -13.821 14.711 1.00 0.00 C ATOM 398 O GLU A 29 -16.912 -14.925 14.991 1.00 0.00 O ATOM 399 CB GLU A 29 -19.604 -13.902 15.863 1.00 0.00 C ATOM 400 CG GLU A 29 -20.633 -13.278 16.811 1.00 0.00 C ATOM 401 CD GLU A 29 -21.612 -14.336 17.342 1.00 0.00 C ATOM 402 OE1 GLU A 29 -22.651 -14.600 16.689 1.00 0.00 O ATOM 403 OE2 GLU A 29 -21.354 -14.911 18.427 1.00 0.00 O ATOM 0 H GLU A 29 -19.465 -11.550 14.898 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.785 -13.039 16.679 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -20.057 -14.016 14.878 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -19.360 -14.903 16.219 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -20.120 -12.802 17.646 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -21.186 -12.497 16.289 1.00 0.00 H new ATOM 410 N GLY A 30 -17.166 -13.234 13.530 1.00 0.00 N ATOM 411 CA GLY A 30 -16.484 -13.870 12.402 1.00 0.00 C ATOM 412 C GLY A 30 -17.387 -14.802 11.587 1.00 0.00 C ATOM 413 O GLY A 30 -16.856 -15.623 10.838 1.00 0.00 O ATOM 0 H GLY A 30 -17.463 -12.279 13.329 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -16.087 -13.096 11.745 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.632 -14.438 12.776 1.00 0.00 H new ATOM 417 N VAL A 31 -18.718 -14.705 11.704 1.00 0.00 N ATOM 418 CA VAL A 31 -19.642 -15.470 10.847 1.00 0.00 C ATOM 419 C VAL A 31 -19.709 -14.872 9.451 1.00 0.00 C ATOM 420 O VAL A 31 -19.552 -13.668 9.261 1.00 0.00 O ATOM 421 CB VAL A 31 -21.078 -15.653 11.381 1.00 0.00 C ATOM 422 CG1 VAL A 31 -21.083 -16.616 12.573 1.00 0.00 C ATOM 423 CG2 VAL A 31 -21.855 -14.375 11.694 1.00 0.00 C ATOM 0 H VAL A 31 -19.183 -14.104 12.384 1.00 0.00 H new ATOM 0 HA VAL A 31 -19.204 -16.468 10.836 1.00 0.00 H new ATOM 0 HB VAL A 31 -21.629 -16.082 10.544 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -22.102 -16.736 12.940 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.694 -17.585 12.260 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.456 -16.213 13.369 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -22.848 -14.634 12.061 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -21.324 -13.804 12.456 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -21.948 -13.775 10.789 1.00 0.00 H new ATOM 433 N GLU A 32 -19.947 -15.746 8.480 1.00 0.00 N ATOM 434 CA GLU A 32 -19.849 -15.442 7.056 1.00 0.00 C ATOM 435 C GLU A 32 -21.190 -14.952 6.497 1.00 0.00 C ATOM 436 O GLU A 32 -22.218 -15.625 6.625 1.00 0.00 O ATOM 437 CB GLU A 32 -19.382 -16.705 6.314 1.00 0.00 C ATOM 438 CG GLU A 32 -17.943 -17.111 6.671 1.00 0.00 C ATOM 439 CD GLU A 32 -17.547 -18.424 5.979 1.00 0.00 C ATOM 440 OE1 GLU A 32 -18.051 -19.499 6.383 1.00 0.00 O ATOM 441 OE2 GLU A 32 -16.714 -18.397 5.043 1.00 0.00 O ATOM 0 H GLU A 32 -20.221 -16.711 8.665 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.127 -14.638 6.911 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -20.056 -17.529 6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -19.450 -16.535 5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.255 -16.319 6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.852 -17.225 7.751 1.00 0.00 H new ATOM 448 N LEU A 33 -21.168 -13.769 5.877 1.00 0.00 N ATOM 449 CA LEU A 33 -22.368 -13.031 5.463 1.00 0.00 C ATOM 450 C LEU A 33 -22.565 -13.062 3.944 1.00 0.00 C ATOM 451 O LEU A 33 -23.651 -13.391 3.460 1.00 0.00 O ATOM 452 CB LEU A 33 -22.247 -11.581 5.968 1.00 0.00 C ATOM 453 CG LEU A 33 -21.873 -11.439 7.457 1.00 0.00 C ATOM 454 CD1 LEU A 33 -21.719 -9.952 7.766 1.00 0.00 C ATOM 455 CD2 LEU A 33 -22.908 -12.091 8.379 1.00 0.00 C ATOM 0 H LEU A 33 -20.300 -13.287 5.644 1.00 0.00 H new ATOM 0 HA LEU A 33 -23.245 -13.509 5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.496 -11.065 5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -23.196 -11.072 5.797 1.00 0.00 H new ATOM 0 HG LEU A 33 -20.935 -11.963 7.642 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -21.454 -9.824 8.816 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -20.934 -9.530 7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -22.659 -9.439 7.564 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -22.601 -11.965 9.417 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -23.879 -11.619 8.228 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -22.982 -13.154 8.149 1.00 0.00 H new ATOM 467 N GLY A 34 -21.502 -12.735 3.203 1.00 0.00 N ATOM 468 CA GLY A 34 -21.460 -12.773 1.734 1.00 0.00 C ATOM 469 C GLY A 34 -20.049 -12.908 1.166 1.00 0.00 C ATOM 470 O GLY A 34 -19.130 -12.218 1.605 1.00 0.00 O ATOM 0 H GLY A 34 -20.622 -12.428 3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -22.065 -13.609 1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -21.915 -11.863 1.342 1.00 0.00 H new ATOM 474 N SER A 35 -19.873 -13.781 0.178 1.00 0.00 N ATOM 475 CA SER A 35 -18.591 -14.037 -0.497 1.00 0.00 C ATOM 476 C SER A 35 -18.296 -13.032 -1.633 1.00 0.00 C ATOM 477 O SER A 35 -19.204 -12.429 -2.218 1.00 0.00 O ATOM 478 CB SER A 35 -18.556 -15.486 -1.008 1.00 0.00 C ATOM 479 OG SER A 35 -19.688 -15.798 -1.816 1.00 0.00 O ATOM 0 H SER A 35 -20.636 -14.349 -0.190 1.00 0.00 H new ATOM 0 HA SER A 35 -17.798 -13.894 0.237 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.645 -15.644 -1.585 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.518 -16.168 -0.159 1.00 0.00 H new ATOM 0 HG SER A 35 -19.626 -16.727 -2.121 1.00 0.00 H new ATOM 485 N GLY A 36 -17.006 -12.839 -1.940 1.00 0.00 N ATOM 486 CA GLY A 36 -16.517 -11.898 -2.954 1.00 0.00 C ATOM 487 C GLY A 36 -15.075 -12.156 -3.394 1.00 0.00 C ATOM 488 O GLY A 36 -14.351 -12.943 -2.778 1.00 0.00 O ATOM 0 H GLY A 36 -16.254 -13.348 -1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.168 -11.949 -3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.591 -10.884 -2.560 1.00 0.00 H new ATOM 492 N VAL A 37 -14.637 -11.454 -4.440 1.00 0.00 N ATOM 493 CA VAL A 37 -13.230 -11.455 -4.890 1.00 0.00 C ATOM 494 C VAL A 37 -12.656 -10.052 -4.716 1.00 0.00 C ATOM 495 O VAL A 37 -13.175 -9.100 -5.295 1.00 0.00 O ATOM 496 CB VAL A 37 -13.083 -11.938 -6.353 1.00 0.00 C ATOM 497 CG1 VAL A 37 -11.606 -11.966 -6.782 1.00 0.00 C ATOM 498 CG2 VAL A 37 -13.690 -13.337 -6.547 1.00 0.00 C ATOM 0 H VAL A 37 -15.246 -10.863 -5.007 1.00 0.00 H new ATOM 0 HA VAL A 37 -12.670 -12.162 -4.278 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.626 -11.227 -6.976 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.533 -12.309 -7.814 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.185 -10.964 -6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.052 -12.645 -6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.569 -13.645 -7.586 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.181 -14.048 -5.896 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.751 -13.311 -6.297 1.00 0.00 H new ATOM 508 N MET A 38 -11.590 -9.931 -3.922 1.00 0.00 N ATOM 509 CA MET A 38 -10.843 -8.691 -3.715 1.00 0.00 C ATOM 510 C MET A 38 -9.700 -8.585 -4.727 1.00 0.00 C ATOM 511 O MET A 38 -8.983 -9.552 -4.992 1.00 0.00 O ATOM 512 CB MET A 38 -10.325 -8.626 -2.266 1.00 0.00 C ATOM 513 CG MET A 38 -9.708 -7.261 -1.932 1.00 0.00 C ATOM 514 SD MET A 38 -10.879 -5.876 -1.986 1.00 0.00 S ATOM 515 CE MET A 38 -11.411 -5.895 -0.255 1.00 0.00 C ATOM 0 H MET A 38 -11.213 -10.716 -3.391 1.00 0.00 H new ATOM 0 HA MET A 38 -11.505 -7.840 -3.874 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.146 -8.830 -1.579 1.00 0.00 H new ATOM 0 HB3 MET A 38 -9.580 -9.407 -2.113 1.00 0.00 H new ATOM 0 HG2 MET A 38 -9.267 -7.309 -0.937 1.00 0.00 H new ATOM 0 HG3 MET A 38 -8.896 -7.062 -2.631 1.00 0.00 H new ATOM 0 HE1 MET A 38 -12.337 -5.329 -0.153 1.00 0.00 H new ATOM 0 HE2 MET A 38 -11.578 -6.924 0.063 1.00 0.00 H new ATOM 0 HE3 MET A 38 -10.639 -5.444 0.368 1.00 0.00 H new ATOM 525 N GLU A 39 -9.523 -7.390 -5.279 1.00 0.00 N ATOM 526 CA GLU A 39 -8.558 -7.083 -6.325 1.00 0.00 C ATOM 527 C GLU A 39 -7.906 -5.729 -6.029 1.00 0.00 C ATOM 528 O GLU A 39 -8.592 -4.738 -5.749 1.00 0.00 O ATOM 529 CB GLU A 39 -9.289 -7.112 -7.677 1.00 0.00 C ATOM 530 CG GLU A 39 -8.357 -6.902 -8.877 1.00 0.00 C ATOM 531 CD GLU A 39 -9.101 -7.116 -10.205 1.00 0.00 C ATOM 532 OE1 GLU A 39 -10.240 -6.614 -10.358 1.00 0.00 O ATOM 533 OE2 GLU A 39 -8.546 -7.788 -11.107 1.00 0.00 O ATOM 0 H GLU A 39 -10.071 -6.577 -4.998 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.755 -7.820 -6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.799 -8.069 -7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.057 -6.339 -7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.944 -5.894 -8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.516 -7.593 -8.813 1.00 0.00 H new ATOM 540 N LEU A 40 -6.569 -5.721 -6.080 1.00 0.00 N ATOM 541 CA LEU A 40 -5.700 -4.556 -5.894 1.00 0.00 C ATOM 542 C LEU A 40 -5.143 -4.168 -7.267 1.00 0.00 C ATOM 543 O LEU A 40 -4.677 -5.036 -8.014 1.00 0.00 O ATOM 544 CB LEU A 40 -4.522 -4.892 -4.949 1.00 0.00 C ATOM 545 CG LEU A 40 -4.802 -4.976 -3.433 1.00 0.00 C ATOM 546 CD1 LEU A 40 -5.757 -6.119 -3.068 1.00 0.00 C ATOM 547 CD2 LEU A 40 -3.473 -5.189 -2.694 1.00 0.00 C ATOM 0 H LEU A 40 -6.037 -6.572 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.272 -3.741 -5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.105 -5.849 -5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.747 -4.141 -5.103 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.280 -4.042 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.917 -6.129 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.711 -5.972 -3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.323 -7.069 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.659 -5.250 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.011 -6.115 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.804 -4.353 -2.900 1.00 0.00 H new ATOM 559 N THR A 41 -5.158 -2.870 -7.583 1.00 0.00 N ATOM 560 CA THR A 41 -4.649 -2.323 -8.855 1.00 0.00 C ATOM 561 C THR A 41 -3.741 -1.127 -8.610 1.00 0.00 C ATOM 562 O THR A 41 -3.652 -0.616 -7.495 1.00 0.00 O ATOM 563 CB THR A 41 -5.799 -1.958 -9.811 1.00 0.00 C ATOM 564 OG1 THR A 41 -6.434 -0.776 -9.366 1.00 0.00 O ATOM 565 CG2 THR A 41 -6.848 -3.066 -9.952 1.00 0.00 C ATOM 0 H THR A 41 -5.528 -2.155 -6.957 1.00 0.00 H new ATOM 0 HA THR A 41 -4.057 -3.102 -9.335 1.00 0.00 H new ATOM 0 HB THR A 41 -5.349 -1.814 -10.793 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.164 -0.547 -9.978 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.629 -2.742 -10.640 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.375 -3.968 -10.339 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.288 -3.277 -8.977 1.00 0.00 H new ATOM 573 N GLN A 42 -3.107 -0.622 -9.664 1.00 0.00 N ATOM 574 CA GLN A 42 -2.373 0.646 -9.640 1.00 0.00 C ATOM 575 C GLN A 42 -3.299 1.868 -9.424 1.00 0.00 C ATOM 576 O GLN A 42 -2.810 2.996 -9.364 1.00 0.00 O ATOM 577 CB GLN A 42 -1.542 0.783 -10.932 1.00 0.00 C ATOM 578 CG GLN A 42 -0.361 -0.206 -11.046 1.00 0.00 C ATOM 579 CD GLN A 42 -0.705 -1.641 -11.473 1.00 0.00 C ATOM 580 OE1 GLN A 42 -1.839 -2.005 -11.767 1.00 0.00 O ATOM 581 NE2 GLN A 42 0.283 -2.508 -11.527 1.00 0.00 N ATOM 0 H GLN A 42 -3.086 -1.086 -10.572 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.701 0.631 -8.782 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.201 0.642 -11.789 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.154 1.800 -10.993 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.355 0.200 -11.760 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.142 -0.249 -10.080 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.230 -2.217 -11.285 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.102 -3.471 -11.811 1.00 0.00 H new ATOM 590 N SER A 43 -4.618 1.678 -9.280 1.00 0.00 N ATOM 591 CA SER A 43 -5.589 2.754 -9.034 1.00 0.00 C ATOM 592 C SER A 43 -6.312 2.655 -7.676 1.00 0.00 C ATOM 593 O SER A 43 -6.458 3.686 -7.015 1.00 0.00 O ATOM 594 CB SER A 43 -6.637 2.782 -10.159 1.00 0.00 C ATOM 595 OG SER A 43 -6.047 3.012 -11.432 1.00 0.00 O ATOM 0 H SER A 43 -5.048 0.755 -9.332 1.00 0.00 H new ATOM 0 HA SER A 43 -5.008 3.676 -9.013 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.176 1.835 -10.175 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.369 3.562 -9.953 1.00 0.00 H new ATOM 0 HG SER A 43 -6.745 3.021 -12.119 1.00 0.00 H new ATOM 601 N GLU A 44 -6.765 1.465 -7.242 1.00 0.00 N ATOM 602 CA GLU A 44 -7.664 1.310 -6.082 1.00 0.00 C ATOM 603 C GLU A 44 -7.917 -0.157 -5.663 1.00 0.00 C ATOM 604 O GLU A 44 -7.465 -1.097 -6.323 1.00 0.00 O ATOM 605 CB GLU A 44 -9.012 2.011 -6.373 1.00 0.00 C ATOM 606 CG GLU A 44 -9.833 1.390 -7.512 1.00 0.00 C ATOM 607 CD GLU A 44 -11.115 2.183 -7.804 1.00 0.00 C ATOM 608 OE1 GLU A 44 -11.624 2.915 -6.924 1.00 0.00 O ATOM 609 OE2 GLU A 44 -11.634 2.069 -8.938 1.00 0.00 O ATOM 0 H GLU A 44 -6.518 0.581 -7.687 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.154 1.778 -5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.614 2.001 -5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.817 3.056 -6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.223 1.345 -8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.094 0.364 -7.252 1.00 0.00 H new ATOM 616 N LEU A 45 -8.680 -0.349 -4.575 1.00 0.00 N ATOM 617 CA LEU A 45 -9.243 -1.645 -4.175 1.00 0.00 C ATOM 618 C LEU A 45 -10.614 -1.848 -4.827 1.00 0.00 C ATOM 619 O LEU A 45 -11.431 -0.923 -4.839 1.00 0.00 O ATOM 620 CB LEU A 45 -9.401 -1.720 -2.639 1.00 0.00 C ATOM 621 CG LEU A 45 -8.142 -2.178 -1.890 1.00 0.00 C ATOM 622 CD1 LEU A 45 -8.358 -2.127 -0.376 1.00 0.00 C ATOM 623 CD2 LEU A 45 -7.769 -3.621 -2.233 1.00 0.00 C ATOM 0 H LEU A 45 -8.927 0.408 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.559 -2.427 -4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.691 -0.737 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.217 -2.403 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.346 -1.500 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.452 -2.456 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.592 -1.105 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.185 -2.783 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.873 -3.906 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.590 -4.284 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.578 -3.703 -3.303 1.00 0.00 H new ATOM 635 N VAL A 46 -10.881 -3.065 -5.313 1.00 0.00 N ATOM 636 CA VAL A 46 -12.166 -3.453 -5.921 1.00 0.00 C ATOM 637 C VAL A 46 -12.639 -4.815 -5.396 1.00 0.00 C ATOM 638 O VAL A 46 -11.896 -5.794 -5.446 1.00 0.00 O ATOM 639 CB VAL A 46 -12.076 -3.491 -7.468 1.00 0.00 C ATOM 640 CG1 VAL A 46 -13.453 -3.780 -8.092 1.00 0.00 C ATOM 641 CG2 VAL A 46 -11.541 -2.175 -8.061 1.00 0.00 C ATOM 0 H VAL A 46 -10.200 -3.824 -5.296 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.894 -2.693 -5.636 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.376 -4.291 -7.708 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.363 -3.801 -9.178 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.817 -4.745 -7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.155 -2.999 -7.802 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.498 -2.256 -9.147 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.204 -1.355 -7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.541 -1.981 -7.672 1.00 0.00 H new ATOM 651 N LEU A 47 -13.892 -4.874 -4.927 1.00 0.00 N ATOM 652 CA LEU A 47 -14.625 -6.103 -4.609 1.00 0.00 C ATOM 653 C LEU A 47 -15.617 -6.433 -5.721 1.00 0.00 C ATOM 654 O LEU A 47 -16.411 -5.584 -6.136 1.00 0.00 O ATOM 655 CB LEU A 47 -15.443 -5.963 -3.317 1.00 0.00 C ATOM 656 CG LEU A 47 -14.686 -6.143 -1.999 1.00 0.00 C ATOM 657 CD1 LEU A 47 -15.658 -5.848 -0.851 1.00 0.00 C ATOM 658 CD2 LEU A 47 -14.136 -7.559 -1.794 1.00 0.00 C ATOM 0 H LEU A 47 -14.443 -4.034 -4.752 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.876 -6.886 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.904 -4.975 -3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -16.252 -6.692 -3.346 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.834 -5.464 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -15.143 -5.969 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -16.024 -4.825 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -16.499 -6.540 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.612 -7.611 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.960 -8.273 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.445 -7.801 -2.601 1.00 0.00 H new ATOM 670 N HIS A 48 -15.629 -7.709 -6.092 1.00 0.00 N ATOM 671 CA HIS A 48 -16.565 -8.332 -7.028 1.00 0.00 C ATOM 672 C HIS A 48 -17.524 -9.297 -6.295 1.00 0.00 C ATOM 673 O HIS A 48 -17.055 -10.202 -5.596 1.00 0.00 O ATOM 674 CB HIS A 48 -15.741 -9.060 -8.100 1.00 0.00 C ATOM 675 CG HIS A 48 -14.784 -8.172 -8.857 1.00 0.00 C ATOM 676 ND1 HIS A 48 -15.143 -7.259 -9.851 1.00 0.00 N ATOM 677 CD2 HIS A 48 -13.427 -8.149 -8.701 1.00 0.00 C ATOM 678 CE1 HIS A 48 -13.990 -6.709 -10.268 1.00 0.00 C ATOM 679 NE2 HIS A 48 -12.942 -7.223 -9.600 1.00 0.00 N ATOM 0 H HIS A 48 -14.948 -8.376 -5.728 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.192 -7.574 -7.497 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -15.176 -9.862 -7.625 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -16.423 -9.528 -8.810 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.847 -8.741 -8.008 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -13.915 -5.955 -11.037 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.962 -6.972 -9.735 1.00 0.00 H new ATOM 687 N LEU A 49 -18.842 -9.098 -6.450 1.00 0.00 N ATOM 688 CA LEU A 49 -19.937 -9.878 -5.849 1.00 0.00 C ATOM 689 C LEU A 49 -21.005 -10.245 -6.904 1.00 0.00 C ATOM 690 O LEU A 49 -21.006 -9.709 -8.013 1.00 0.00 O ATOM 691 CB LEU A 49 -20.597 -9.073 -4.705 1.00 0.00 C ATOM 692 CG LEU A 49 -19.710 -8.778 -3.474 1.00 0.00 C ATOM 693 CD1 LEU A 49 -18.968 -7.437 -3.588 1.00 0.00 C ATOM 694 CD2 LEU A 49 -20.592 -8.714 -2.221 1.00 0.00 C ATOM 0 H LEU A 49 -19.195 -8.341 -7.035 1.00 0.00 H new ATOM 0 HA LEU A 49 -19.513 -10.800 -5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -20.945 -8.123 -5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -21.479 -9.618 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 49 -18.973 -9.579 -3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -18.360 -7.281 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -18.325 -7.451 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -19.692 -6.627 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -19.971 -8.506 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -21.332 -7.922 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -21.101 -9.668 -2.085 1.00 0.00 H new ATOM 786 N ALA A 54 -20.516 -4.241 -7.685 1.00 0.00 N ATOM 787 CA ALA A 54 -19.091 -4.128 -7.368 1.00 0.00 C ATOM 788 C ALA A 54 -18.822 -2.919 -6.450 1.00 0.00 C ATOM 789 O ALA A 54 -19.474 -1.876 -6.581 1.00 0.00 O ATOM 790 CB ALA A 54 -18.297 -4.048 -8.678 1.00 0.00 C ATOM 0 HA ALA A 54 -18.765 -5.010 -6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.234 -3.963 -8.454 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -18.474 -4.949 -9.266 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.619 -3.175 -9.246 1.00 0.00 H new ATOM 796 N VAL A 55 -17.860 -3.051 -5.532 1.00 0.00 N ATOM 797 CA VAL A 55 -17.585 -2.035 -4.493 1.00 0.00 C ATOM 798 C VAL A 55 -16.135 -1.571 -4.569 1.00 0.00 C ATOM 799 O VAL A 55 -15.219 -2.388 -4.562 1.00 0.00 O ATOM 800 CB VAL A 55 -17.930 -2.509 -3.063 1.00 0.00 C ATOM 801 CG1 VAL A 55 -17.852 -1.328 -2.085 1.00 0.00 C ATOM 802 CG2 VAL A 55 -19.346 -3.100 -2.973 1.00 0.00 C ATOM 0 H VAL A 55 -17.245 -3.863 -5.482 1.00 0.00 H new ATOM 0 HA VAL A 55 -18.246 -1.194 -4.704 1.00 0.00 H new ATOM 0 HB VAL A 55 -17.206 -3.282 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -18.097 -1.671 -1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -16.843 -0.916 -2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -18.561 -0.557 -2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -19.543 -3.419 -1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -20.075 -2.344 -3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -19.426 -3.957 -3.642 1.00 0.00 H new ATOM 812 N ARG A 56 -15.951 -0.254 -4.662 1.00 0.00 N ATOM 813 CA ARG A 56 -14.682 0.409 -4.966 1.00 0.00 C ATOM 814 C ARG A 56 -14.261 1.362 -3.840 1.00 0.00 C ATOM 815 O ARG A 56 -15.085 2.129 -3.331 1.00 0.00 O ATOM 816 CB ARG A 56 -14.850 1.202 -6.273 1.00 0.00 C ATOM 817 CG ARG A 56 -15.180 0.322 -7.494 1.00 0.00 C ATOM 818 CD ARG A 56 -15.594 1.161 -8.707 1.00 0.00 C ATOM 819 NE ARG A 56 -14.483 1.977 -9.224 1.00 0.00 N ATOM 820 CZ ARG A 56 -14.552 2.945 -10.125 1.00 0.00 C ATOM 821 NH1 ARG A 56 -15.682 3.317 -10.690 1.00 0.00 N ATOM 822 NH2 ARG A 56 -13.438 3.547 -10.464 1.00 0.00 N ATOM 0 H ARG A 56 -16.714 0.408 -4.522 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.905 -0.348 -5.068 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -15.643 1.938 -6.142 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.932 1.755 -6.472 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.311 -0.283 -7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.984 -0.368 -7.238 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.956 0.502 -9.496 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -16.423 1.812 -8.430 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.557 1.774 -8.846 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.555 2.853 -10.438 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.684 4.069 -11.379 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.556 3.265 -10.037 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.454 4.297 -11.155 1.00 0.00 H new ATOM 836 N TRP A 57 -12.968 1.364 -3.501 1.00 0.00 N ATOM 837 CA TRP A 57 -12.367 2.285 -2.527 1.00 0.00 C ATOM 838 C TRP A 57 -10.989 2.782 -3.010 1.00 0.00 C ATOM 839 O TRP A 57 -10.057 1.970 -3.075 1.00 0.00 O ATOM 840 CB TRP A 57 -12.218 1.599 -1.162 1.00 0.00 C ATOM 841 CG TRP A 57 -13.482 1.196 -0.473 1.00 0.00 C ATOM 842 CD1 TRP A 57 -14.281 1.990 0.276 1.00 0.00 C ATOM 843 CD2 TRP A 57 -14.083 -0.131 -0.418 1.00 0.00 C ATOM 844 NE1 TRP A 57 -15.317 1.242 0.801 1.00 0.00 N ATOM 845 CE2 TRP A 57 -15.208 -0.087 0.459 1.00 0.00 C ATOM 846 CE3 TRP A 57 -13.762 -1.375 -0.998 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -15.927 -1.238 0.809 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -14.504 -2.526 -0.686 1.00 0.00 C ATOM 849 CH2 TRP A 57 -15.568 -2.465 0.233 1.00 0.00 C ATOM 0 H TRP A 57 -12.295 0.712 -3.904 1.00 0.00 H new ATOM 0 HA TRP A 57 -13.031 3.144 -2.428 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -11.603 0.709 -1.294 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -11.669 2.270 -0.502 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -14.132 3.047 0.439 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -16.070 1.627 1.372 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -12.936 -1.444 -1.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -16.745 -1.181 1.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -14.256 -3.466 -1.156 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.108 -3.363 0.495 1.00 0.00 H new ATOM 860 N PRO A 58 -10.826 4.089 -3.311 1.00 0.00 N ATOM 861 CA PRO A 58 -9.534 4.658 -3.666 1.00 0.00 C ATOM 862 C PRO A 58 -8.606 4.661 -2.455 1.00 0.00 C ATOM 863 O PRO A 58 -9.047 4.810 -1.315 1.00 0.00 O ATOM 864 CB PRO A 58 -9.818 6.082 -4.151 1.00 0.00 C ATOM 865 CG PRO A 58 -11.088 6.464 -3.399 1.00 0.00 C ATOM 866 CD PRO A 58 -11.840 5.139 -3.280 1.00 0.00 C ATOM 0 HA PRO A 58 -9.034 4.076 -4.441 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.995 6.757 -3.919 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.964 6.117 -5.231 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.863 6.888 -2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.669 7.208 -3.943 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.413 5.099 -2.354 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.549 5.019 -4.099 1.00 0.00 H new ATOM 874 N TYR A 59 -7.302 4.552 -2.711 1.00 0.00 N ATOM 875 CA TYR A 59 -6.269 4.577 -1.669 1.00 0.00 C ATOM 876 C TYR A 59 -6.240 5.893 -0.861 1.00 0.00 C ATOM 877 O TYR A 59 -5.799 5.907 0.288 1.00 0.00 O ATOM 878 CB TYR A 59 -4.916 4.282 -2.333 1.00 0.00 C ATOM 879 CG TYR A 59 -4.802 2.935 -3.037 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.265 1.759 -2.412 1.00 0.00 C ATOM 881 CD2 TYR A 59 -4.215 2.851 -4.316 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.153 0.518 -3.059 1.00 0.00 C ATOM 883 CE2 TYR A 59 -4.091 1.606 -4.965 1.00 0.00 C ATOM 884 CZ TYR A 59 -4.561 0.431 -4.334 1.00 0.00 C ATOM 885 OH TYR A 59 -4.455 -0.783 -4.936 1.00 0.00 O ATOM 0 H TYR A 59 -6.928 4.443 -3.654 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.503 3.810 -0.930 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.710 5.069 -3.059 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.139 4.339 -1.571 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.709 1.813 -1.429 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.858 3.747 -4.802 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.523 -0.375 -2.576 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.637 1.549 -5.943 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.146 -0.665 -5.858 1.00 0.00 H new ATOM 895 N LEU A 60 -6.802 6.968 -1.427 1.00 0.00 N ATOM 896 CA LEU A 60 -7.059 8.257 -0.772 1.00 0.00 C ATOM 897 C LEU A 60 -8.095 8.166 0.366 1.00 0.00 C ATOM 898 O LEU A 60 -7.960 8.870 1.366 1.00 0.00 O ATOM 899 CB LEU A 60 -7.527 9.250 -1.849 1.00 0.00 C ATOM 900 CG LEU A 60 -6.329 9.796 -2.650 1.00 0.00 C ATOM 901 CD1 LEU A 60 -6.747 10.097 -4.087 1.00 0.00 C ATOM 902 CD2 LEU A 60 -5.759 11.058 -1.983 1.00 0.00 C ATOM 0 H LEU A 60 -7.105 6.963 -2.401 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.135 8.593 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.227 8.758 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.063 10.075 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.549 9.035 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.891 10.482 -4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.105 9.183 -4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.543 10.841 -4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.914 11.427 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.531 11.826 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.427 10.817 -0.973 1.00 0.00 H new ATOM 914 N CYS A 61 -9.112 7.301 0.235 1.00 0.00 N ATOM 915 CA CYS A 61 -10.199 7.151 1.224 1.00 0.00 C ATOM 916 C CYS A 61 -9.958 6.064 2.290 1.00 0.00 C ATOM 917 O CYS A 61 -10.758 5.949 3.223 1.00 0.00 O ATOM 918 CB CYS A 61 -11.530 6.929 0.486 1.00 0.00 C ATOM 919 SG CYS A 61 -12.027 8.468 -0.341 1.00 0.00 S ATOM 0 H CYS A 61 -9.207 6.678 -0.567 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.232 8.080 1.793 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.423 6.128 -0.246 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.301 6.617 1.190 1.00 0.00 H new ATOM 0 HG CYS A 61 -13.151 8.281 -0.967 1.00 0.00 H new ATOM 925 N LEU A 62 -8.873 5.288 2.190 1.00 0.00 N ATOM 926 CA LEU A 62 -8.468 4.315 3.210 1.00 0.00 C ATOM 927 C LEU A 62 -7.701 5.040 4.325 1.00 0.00 C ATOM 928 O LEU A 62 -6.539 5.412 4.150 1.00 0.00 O ATOM 929 CB LEU A 62 -7.619 3.194 2.573 1.00 0.00 C ATOM 930 CG LEU A 62 -8.314 2.379 1.463 1.00 0.00 C ATOM 931 CD1 LEU A 62 -7.320 1.353 0.912 1.00 0.00 C ATOM 932 CD2 LEU A 62 -9.579 1.658 1.951 1.00 0.00 C ATOM 0 H LEU A 62 -8.244 5.319 1.388 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.351 3.848 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.714 3.639 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.306 2.508 3.360 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.630 3.078 0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.798 0.769 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.452 1.870 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.001 0.688 1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.023 1.102 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.318 0.968 2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.296 2.391 2.321 1.00 0.00 H new ATOM 944 N ARG A 63 -8.343 5.228 5.484 1.00 0.00 N ATOM 945 CA ARG A 63 -7.721 5.862 6.658 1.00 0.00 C ATOM 946 C ARG A 63 -6.818 4.903 7.452 1.00 0.00 C ATOM 947 O ARG A 63 -5.943 5.364 8.185 1.00 0.00 O ATOM 948 CB ARG A 63 -8.808 6.468 7.565 1.00 0.00 C ATOM 949 CG ARG A 63 -9.281 7.828 7.029 1.00 0.00 C ATOM 950 CD ARG A 63 -10.339 8.454 7.945 1.00 0.00 C ATOM 951 NE ARG A 63 -10.483 9.898 7.680 1.00 0.00 N ATOM 952 CZ ARG A 63 -11.412 10.706 8.178 1.00 0.00 C ATOM 953 NH1 ARG A 63 -12.409 10.257 8.913 1.00 0.00 N ATOM 954 NH2 ARG A 63 -11.344 11.999 7.945 1.00 0.00 N ATOM 0 H ARG A 63 -9.311 4.945 5.637 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.071 6.655 6.289 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.655 5.785 7.629 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.418 6.588 8.576 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.429 8.502 6.941 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.693 7.703 6.028 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.297 7.956 7.793 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.060 8.298 8.987 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.800 10.319 7.050 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.485 9.260 9.116 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.105 10.906 9.280 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.580 12.377 7.384 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.055 12.624 8.325 1.00 0.00 H new ATOM 968 N ARG A 64 -7.015 3.587 7.295 1.00 0.00 N ATOM 969 CA ARG A 64 -6.374 2.505 8.058 1.00 0.00 C ATOM 970 C ARG A 64 -6.701 1.165 7.384 1.00 0.00 C ATOM 971 O ARG A 64 -7.859 0.918 7.051 1.00 0.00 O ATOM 972 CB ARG A 64 -6.902 2.566 9.508 1.00 0.00 C ATOM 973 CG ARG A 64 -6.339 1.537 10.487 1.00 0.00 C ATOM 974 CD ARG A 64 -7.130 1.567 11.801 1.00 0.00 C ATOM 975 NE ARG A 64 -6.324 1.096 12.940 1.00 0.00 N ATOM 976 CZ ARG A 64 -6.689 1.135 14.216 1.00 0.00 C ATOM 977 NH1 ARG A 64 -7.843 1.642 14.596 1.00 0.00 N ATOM 978 NH2 ARG A 64 -5.882 0.660 15.139 1.00 0.00 N ATOM 0 H ARG A 64 -7.662 3.228 6.593 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.289 2.612 8.079 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.696 3.560 9.904 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.986 2.452 9.481 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.388 0.541 10.047 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.287 1.747 10.682 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.473 2.583 11.995 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.019 0.944 11.703 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.405 0.706 12.730 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.487 2.020 13.902 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.093 1.657 15.585 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.980 0.264 14.873 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.158 0.688 16.121 1.00 0.00 H new ATOM 992 N TYR A 65 -5.700 0.306 7.190 1.00 0.00 N ATOM 993 CA TYR A 65 -5.830 -1.031 6.585 1.00 0.00 C ATOM 994 C TYR A 65 -4.900 -2.028 7.293 1.00 0.00 C ATOM 995 O TYR A 65 -3.685 -1.841 7.351 1.00 0.00 O ATOM 996 CB TYR A 65 -5.570 -0.978 5.069 1.00 0.00 C ATOM 997 CG TYR A 65 -4.207 -0.444 4.655 1.00 0.00 C ATOM 998 CD1 TYR A 65 -4.043 0.936 4.438 1.00 0.00 C ATOM 999 CD2 TYR A 65 -3.105 -1.313 4.501 1.00 0.00 C ATOM 1000 CE1 TYR A 65 -2.787 1.446 4.072 1.00 0.00 C ATOM 1001 CE2 TYR A 65 -1.837 -0.805 4.155 1.00 0.00 C ATOM 1002 CZ TYR A 65 -1.684 0.578 3.915 1.00 0.00 C ATOM 1003 OH TYR A 65 -0.477 1.076 3.536 1.00 0.00 O ATOM 0 H TYR A 65 -4.740 0.524 7.457 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.854 -1.379 6.720 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.685 -1.983 4.663 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.339 -0.358 4.608 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.884 1.604 4.553 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.235 -2.375 4.649 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.664 2.507 3.910 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.989 -1.468 4.074 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.602 1.716 2.804 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.483 -3.066 7.888 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.794 -3.986 8.787 1.00 0.00 C ATOM 1015 C GLY A 66 -5.030 -5.444 8.438 1.00 0.00 C ATOM 1016 O GLY A 66 -5.974 -5.800 7.730 1.00 0.00 O ATOM 0 H GLY A 66 -6.468 -3.295 7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.724 -3.780 8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.127 -3.804 9.809 1.00 0.00 H new ATOM 1020 N TYR A 67 -4.187 -6.289 9.018 1.00 0.00 N ATOM 1021 CA TYR A 67 -4.247 -7.739 8.875 1.00 0.00 C ATOM 1022 C TYR A 67 -4.185 -8.445 10.245 1.00 0.00 C ATOM 1023 O TYR A 67 -3.629 -7.923 11.218 1.00 0.00 O ATOM 1024 CB TYR A 67 -3.117 -8.195 7.934 1.00 0.00 C ATOM 1025 CG TYR A 67 -1.801 -8.447 8.644 1.00 0.00 C ATOM 1026 CD1 TYR A 67 -0.945 -7.375 8.960 1.00 0.00 C ATOM 1027 CD2 TYR A 67 -1.468 -9.752 9.056 1.00 0.00 C ATOM 1028 CE1 TYR A 67 0.247 -7.607 9.669 1.00 0.00 C ATOM 1029 CE2 TYR A 67 -0.282 -9.991 9.774 1.00 0.00 C ATOM 1030 CZ TYR A 67 0.579 -8.915 10.087 1.00 0.00 C ATOM 1031 OH TYR A 67 1.715 -9.129 10.809 1.00 0.00 O ATOM 0 H TYR A 67 -3.422 -5.977 9.617 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.204 -8.021 8.435 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.426 -9.108 7.424 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.967 -7.436 7.166 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.205 -6.371 8.657 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.127 -10.574 8.819 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.909 -6.784 9.894 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.030 -10.994 10.085 1.00 0.00 H new ATOM 0 HH TYR A 67 1.795 -10.083 11.017 1.00 0.00 H new ATOM 1041 N ASP A 68 -4.724 -9.658 10.300 1.00 0.00 N ATOM 1042 CA ASP A 68 -4.660 -10.573 11.438 1.00 0.00 C ATOM 1043 C ASP A 68 -4.742 -12.034 10.956 1.00 0.00 C ATOM 1044 O ASP A 68 -4.735 -12.296 9.749 1.00 0.00 O ATOM 1045 CB ASP A 68 -5.767 -10.229 12.454 1.00 0.00 C ATOM 1046 CG ASP A 68 -5.227 -10.312 13.888 1.00 0.00 C ATOM 1047 OD1 ASP A 68 -4.987 -11.448 14.361 1.00 0.00 O ATOM 1048 OD2 ASP A 68 -5.017 -9.247 14.514 1.00 0.00 O ATOM 0 H ASP A 68 -5.243 -10.051 9.515 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.703 -10.457 11.946 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.147 -9.226 12.260 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.605 -10.916 12.334 1.00 0.00 H new ATOM 1053 N SER A 69 -4.818 -12.999 11.873 1.00 0.00 N ATOM 1054 CA SER A 69 -4.954 -14.418 11.523 1.00 0.00 C ATOM 1055 C SER A 69 -6.232 -14.679 10.699 1.00 0.00 C ATOM 1056 O SER A 69 -7.359 -14.512 11.172 1.00 0.00 O ATOM 1057 CB SER A 69 -4.865 -15.313 12.772 1.00 0.00 C ATOM 1058 OG SER A 69 -5.683 -14.870 13.851 1.00 0.00 O ATOM 0 H SER A 69 -4.787 -12.822 12.877 1.00 0.00 H new ATOM 0 HA SER A 69 -4.113 -14.686 10.883 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.153 -16.329 12.502 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.828 -15.354 13.106 1.00 0.00 H new ATOM 0 HG SER A 69 -5.582 -15.481 14.610 1.00 0.00 H new ATOM 1064 N ASN A 70 -6.039 -15.031 9.419 1.00 0.00 N ATOM 1065 CA ASN A 70 -7.065 -15.224 8.380 1.00 0.00 C ATOM 1066 C ASN A 70 -8.079 -14.061 8.194 1.00 0.00 C ATOM 1067 O ASN A 70 -9.186 -14.284 7.691 1.00 0.00 O ATOM 1068 CB ASN A 70 -7.705 -16.627 8.489 1.00 0.00 C ATOM 1069 CG ASN A 70 -8.578 -16.858 9.722 1.00 0.00 C ATOM 1070 OD1 ASN A 70 -8.218 -17.600 10.630 1.00 0.00 O ATOM 1071 ND2 ASN A 70 -9.758 -16.266 9.777 1.00 0.00 N ATOM 0 H ASN A 70 -5.100 -15.200 9.057 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.530 -15.183 7.431 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.310 -16.801 7.599 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.909 -17.372 8.484 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.372 -16.426 10.576 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.055 -15.649 9.021 1.00 0.00 H new ATOM 1078 N LEU A 71 -7.732 -12.827 8.589 1.00 0.00 N ATOM 1079 CA LEU A 71 -8.627 -11.666 8.635 1.00 0.00 C ATOM 1080 C LEU A 71 -7.949 -10.427 8.026 1.00 0.00 C ATOM 1081 O LEU A 71 -6.861 -10.038 8.449 1.00 0.00 O ATOM 1082 CB LEU A 71 -9.008 -11.436 10.116 1.00 0.00 C ATOM 1083 CG LEU A 71 -10.325 -10.695 10.412 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -10.342 -9.250 9.912 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -11.532 -11.461 9.862 1.00 0.00 C ATOM 0 H LEU A 71 -6.785 -12.604 8.896 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.524 -11.847 8.044 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.054 -12.409 10.605 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.198 -10.880 10.588 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.394 -10.650 11.499 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.301 -8.792 10.156 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.539 -8.690 10.392 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.198 -9.237 8.832 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.446 -10.911 10.088 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.432 -11.571 8.782 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.579 -12.447 10.324 1.00 0.00 H new ATOM 1097 N PHE A 72 -8.613 -9.797 7.057 1.00 0.00 N ATOM 1098 CA PHE A 72 -8.243 -8.512 6.463 1.00 0.00 C ATOM 1099 C PHE A 72 -9.380 -7.500 6.673 1.00 0.00 C ATOM 1100 O PHE A 72 -10.550 -7.817 6.475 1.00 0.00 O ATOM 1101 CB PHE A 72 -7.944 -8.702 4.967 1.00 0.00 C ATOM 1102 CG PHE A 72 -7.677 -7.393 4.250 1.00 0.00 C ATOM 1103 CD1 PHE A 72 -6.546 -6.624 4.591 1.00 0.00 C ATOM 1104 CD2 PHE A 72 -8.603 -6.897 3.313 1.00 0.00 C ATOM 1105 CE1 PHE A 72 -6.372 -5.343 4.039 1.00 0.00 C ATOM 1106 CE2 PHE A 72 -8.414 -5.627 2.744 1.00 0.00 C ATOM 1107 CZ PHE A 72 -7.316 -4.839 3.127 1.00 0.00 C ATOM 0 H PHE A 72 -9.462 -10.186 6.646 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.346 -8.126 6.947 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.079 -9.356 4.854 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -8.787 -9.205 4.494 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.812 -7.020 5.277 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.459 -7.493 3.032 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.515 -4.747 4.315 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.114 -5.255 2.011 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.197 -3.845 2.721 1.00 0.00 H new ATOM 1117 N SER A 73 -9.055 -6.277 7.076 1.00 0.00 N ATOM 1118 CA SER A 73 -10.037 -5.241 7.409 1.00 0.00 C ATOM 1119 C SER A 73 -9.478 -3.826 7.204 1.00 0.00 C ATOM 1120 O SER A 73 -8.264 -3.602 7.249 1.00 0.00 O ATOM 1121 CB SER A 73 -10.509 -5.450 8.851 1.00 0.00 C ATOM 1122 OG SER A 73 -11.533 -4.531 9.185 1.00 0.00 O ATOM 0 H SER A 73 -8.089 -5.969 7.184 1.00 0.00 H new ATOM 0 HA SER A 73 -10.885 -5.333 6.730 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.875 -6.469 8.974 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.669 -5.329 9.534 1.00 0.00 H new ATOM 0 HG SER A 73 -12.116 -4.395 8.409 1.00 0.00 H new ATOM 1128 N PHE A 74 -10.373 -2.861 6.972 1.00 0.00 N ATOM 1129 CA PHE A 74 -10.034 -1.482 6.632 1.00 0.00 C ATOM 1130 C PHE A 74 -11.146 -0.495 7.024 1.00 0.00 C ATOM 1131 O PHE A 74 -12.325 -0.851 7.105 1.00 0.00 O ATOM 1132 CB PHE A 74 -9.658 -1.390 5.141 1.00 0.00 C ATOM 1133 CG PHE A 74 -10.716 -1.891 4.173 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -11.698 -1.010 3.679 1.00 0.00 C ATOM 1135 CD2 PHE A 74 -10.717 -3.240 3.760 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -12.672 -1.479 2.783 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -11.687 -3.706 2.852 1.00 0.00 C ATOM 1138 CZ PHE A 74 -12.666 -2.823 2.371 1.00 0.00 C ATOM 0 H PHE A 74 -11.379 -3.025 7.017 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.165 -1.185 7.219 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.435 -0.350 4.903 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.742 -1.958 4.978 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.702 0.025 3.989 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.969 -3.919 4.143 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.428 -0.805 2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.678 -4.736 2.528 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.418 -3.177 1.681 1.00 0.00 H new ATOM 1148 N GLU A 75 -10.742 0.749 7.285 1.00 0.00 N ATOM 1149 CA GLU A 75 -11.581 1.853 7.752 1.00 0.00 C ATOM 1150 C GLU A 75 -11.638 2.969 6.697 1.00 0.00 C ATOM 1151 O GLU A 75 -10.608 3.396 6.166 1.00 0.00 O ATOM 1152 CB GLU A 75 -11.003 2.381 9.073 1.00 0.00 C ATOM 1153 CG GLU A 75 -11.907 3.416 9.758 1.00 0.00 C ATOM 1154 CD GLU A 75 -11.407 3.813 11.160 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -10.201 3.659 11.466 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -12.231 4.311 11.963 1.00 0.00 O ATOM 0 H GLU A 75 -9.768 1.028 7.170 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.600 1.501 7.914 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.841 1.544 9.752 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.028 2.829 8.882 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.968 4.307 9.134 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.917 3.013 9.838 1.00 0.00 H new ATOM 1163 N SER A 76 -12.841 3.470 6.425 1.00 0.00 N ATOM 1164 CA SER A 76 -13.109 4.465 5.370 1.00 0.00 C ATOM 1165 C SER A 76 -13.996 5.620 5.863 1.00 0.00 C ATOM 1166 O SER A 76 -14.771 5.466 6.812 1.00 0.00 O ATOM 1167 CB SER A 76 -13.771 3.792 4.154 1.00 0.00 C ATOM 1168 OG SER A 76 -12.949 2.784 3.581 1.00 0.00 O ATOM 0 H SER A 76 -13.679 3.195 6.938 1.00 0.00 H new ATOM 0 HA SER A 76 -12.146 4.886 5.083 1.00 0.00 H new ATOM 0 HB2 SER A 76 -14.722 3.353 4.457 1.00 0.00 H new ATOM 0 HB3 SER A 76 -13.994 4.547 3.400 1.00 0.00 H new ATOM 0 HG SER A 76 -13.306 2.529 2.705 1.00 0.00 H new ATOM 1174 N GLY A 77 -13.878 6.792 5.220 1.00 0.00 N ATOM 1175 CA GLY A 77 -14.637 8.011 5.545 1.00 0.00 C ATOM 1176 C GLY A 77 -15.977 8.116 4.804 1.00 0.00 C ATOM 1177 O GLY A 77 -16.222 7.413 3.822 1.00 0.00 O ATOM 0 H GLY A 77 -13.235 6.922 4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.822 8.038 6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.029 8.883 5.304 1.00 0.00 H new ATOM 1181 N ARG A 78 -16.842 9.040 5.246 1.00 0.00 N ATOM 1182 CA ARG A 78 -18.223 9.211 4.743 1.00 0.00 C ATOM 1183 C ARG A 78 -18.365 9.698 3.282 1.00 0.00 C ATOM 1184 O ARG A 78 -19.479 9.707 2.756 1.00 0.00 O ATOM 1185 CB ARG A 78 -19.074 10.059 5.717 1.00 0.00 C ATOM 1186 CG ARG A 78 -18.578 11.490 6.000 1.00 0.00 C ATOM 1187 CD ARG A 78 -17.825 11.598 7.335 1.00 0.00 C ATOM 1188 NE ARG A 78 -17.470 12.995 7.642 1.00 0.00 N ATOM 1189 CZ ARG A 78 -16.991 13.447 8.797 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -16.758 12.647 9.818 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -16.739 14.730 8.939 1.00 0.00 N ATOM 0 H ARG A 78 -16.601 9.707 5.979 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.618 8.196 4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -20.087 10.122 5.318 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -19.138 9.527 6.666 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -17.923 11.811 5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -19.429 12.171 6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -18.443 11.194 8.137 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -16.920 10.992 7.294 1.00 0.00 H new ATOM 0 HE ARG A 78 -17.604 13.680 6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.945 11.648 9.736 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.390 13.027 10.690 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.911 15.372 8.165 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.371 15.083 9.823 1.00 0.00 H new ATOM 1205 N ARG A 79 -17.262 10.056 2.611 1.00 0.00 N ATOM 1206 CA ARG A 79 -17.257 10.536 1.216 1.00 0.00 C ATOM 1207 C ARG A 79 -17.281 9.428 0.143 1.00 0.00 C ATOM 1208 O ARG A 79 -17.599 9.710 -1.013 1.00 0.00 O ATOM 1209 CB ARG A 79 -16.065 11.483 1.004 1.00 0.00 C ATOM 1210 CG ARG A 79 -14.711 10.762 0.869 1.00 0.00 C ATOM 1211 CD ARG A 79 -13.552 11.760 0.779 1.00 0.00 C ATOM 1212 NE ARG A 79 -13.245 12.369 2.088 1.00 0.00 N ATOM 1213 CZ ARG A 79 -12.513 11.831 3.057 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -11.947 10.648 2.931 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -12.344 12.486 4.184 1.00 0.00 N ATOM 0 H ARG A 79 -16.331 10.021 3.026 1.00 0.00 H new ATOM 0 HA ARG A 79 -18.198 11.068 1.077 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -16.240 12.077 0.107 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.013 12.179 1.841 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.561 10.104 1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -14.720 10.132 -0.020 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.666 11.253 0.398 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.803 12.544 0.064 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.634 13.295 2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.065 10.116 2.069 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.391 10.265 3.695 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.774 13.402 4.311 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.783 12.078 4.932 1.00 0.00 H new ATOM 1229 N CYS A 80 -16.909 8.191 0.498 1.00 0.00 N ATOM 1230 CA CYS A 80 -16.751 7.077 -0.455 1.00 0.00 C ATOM 1231 C CYS A 80 -18.087 6.383 -0.823 1.00 0.00 C ATOM 1232 O CYS A 80 -19.152 6.772 -0.339 1.00 0.00 O ATOM 1233 CB CYS A 80 -15.672 6.116 0.085 1.00 0.00 C ATOM 1234 SG CYS A 80 -16.297 5.150 1.490 1.00 0.00 S ATOM 0 H CYS A 80 -16.707 7.930 1.463 1.00 0.00 H new ATOM 0 HA CYS A 80 -16.411 7.474 -1.411 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -15.351 5.442 -0.709 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -14.795 6.686 0.393 1.00 0.00 H new ATOM 0 HG CYS A 80 -16.340 5.903 2.549 1.00 0.00 H new ATOM 1240 N GLN A 81 -18.030 5.350 -1.678 1.00 0.00 N ATOM 1241 CA GLN A 81 -19.196 4.606 -2.187 1.00 0.00 C ATOM 1242 C GLN A 81 -20.085 4.040 -1.065 1.00 0.00 C ATOM 1243 O GLN A 81 -21.314 4.118 -1.150 1.00 0.00 O ATOM 1244 CB GLN A 81 -18.693 3.472 -3.108 1.00 0.00 C ATOM 1245 CG GLN A 81 -19.823 2.562 -3.635 1.00 0.00 C ATOM 1246 CD GLN A 81 -19.361 1.503 -4.642 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -18.240 1.496 -5.134 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -20.203 0.546 -4.976 1.00 0.00 N ATOM 0 H GLN A 81 -17.146 4.998 -2.046 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.824 5.301 -2.744 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -18.165 3.910 -3.955 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -17.972 2.864 -2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.295 2.061 -2.789 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.586 3.184 -4.103 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.142 0.532 -4.579 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -19.915 -0.180 -5.632 1.00 0.00 H new ATOM 1257 N THR A 82 -19.463 3.474 -0.025 1.00 0.00 N ATOM 1258 CA THR A 82 -20.130 2.810 1.109 1.00 0.00 C ATOM 1259 C THR A 82 -20.380 3.731 2.294 1.00 0.00 C ATOM 1260 O THR A 82 -21.253 3.455 3.118 1.00 0.00 O ATOM 1261 CB THR A 82 -19.282 1.625 1.570 1.00 0.00 C ATOM 1262 OG1 THR A 82 -17.959 2.055 1.826 1.00 0.00 O ATOM 1263 CG2 THR A 82 -19.241 0.558 0.480 1.00 0.00 C ATOM 0 H THR A 82 -18.446 3.463 0.057 1.00 0.00 H new ATOM 0 HA THR A 82 -21.106 2.485 0.749 1.00 0.00 H new ATOM 0 HB THR A 82 -19.724 1.212 2.477 1.00 0.00 H new ATOM 0 HG1 THR A 82 -17.649 1.672 2.673 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.635 -0.283 0.817 1.00 0.00 H new ATOM 0 HG22 THR A 82 -20.254 0.214 0.269 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.805 0.980 -0.426 1.00 0.00 H new ATOM 1271 N GLY A 83 -19.611 4.816 2.381 1.00 0.00 N ATOM 1272 CA GLY A 83 -19.601 5.756 3.499 1.00 0.00 C ATOM 1273 C GLY A 83 -18.736 5.271 4.666 1.00 0.00 C ATOM 1274 O GLY A 83 -17.882 4.395 4.519 1.00 0.00 O ATOM 0 H GLY A 83 -18.953 5.073 1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -19.232 6.722 3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -20.622 5.911 3.848 1.00 0.00 H new ATOM 1278 N GLN A 84 -18.947 5.885 5.829 1.00 0.00 N ATOM 1279 CA GLN A 84 -18.155 5.648 7.038 1.00 0.00 C ATOM 1280 C GLN A 84 -18.416 4.265 7.660 1.00 0.00 C ATOM 1281 O GLN A 84 -19.563 3.822 7.767 1.00 0.00 O ATOM 1282 CB GLN A 84 -18.362 6.793 8.049 1.00 0.00 C ATOM 1283 CG GLN A 84 -19.821 7.000 8.509 1.00 0.00 C ATOM 1284 CD GLN A 84 -20.015 8.204 9.438 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -19.146 9.049 9.628 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -21.177 8.342 10.044 1.00 0.00 N ATOM 0 H GLN A 84 -19.687 6.574 5.961 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.105 5.641 6.746 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -17.744 6.600 8.926 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -18.002 7.720 7.604 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -20.454 7.126 7.631 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -20.161 6.100 9.021 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -21.913 7.651 9.899 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -21.341 9.140 10.658 1.00 0.00 H new ATOM 1295 N GLY A 85 -17.343 3.593 8.093 1.00 0.00 N ATOM 1296 CA GLY A 85 -17.390 2.287 8.751 1.00 0.00 C ATOM 1297 C GLY A 85 -16.078 1.513 8.654 1.00 0.00 C ATOM 1298 O GLY A 85 -15.149 1.901 7.939 1.00 0.00 O ATOM 0 H GLY A 85 -16.394 3.954 7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.644 2.427 9.802 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.188 1.693 8.306 1.00 0.00 H new ATOM 1302 N ILE A 86 -16.022 0.396 9.381 1.00 0.00 N ATOM 1303 CA ILE A 86 -14.959 -0.616 9.295 1.00 0.00 C ATOM 1304 C ILE A 86 -15.542 -1.882 8.673 1.00 0.00 C ATOM 1305 O ILE A 86 -16.500 -2.443 9.213 1.00 0.00 O ATOM 1306 CB ILE A 86 -14.368 -0.907 10.691 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -13.662 0.363 11.216 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -13.386 -2.095 10.654 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -13.364 0.300 12.714 1.00 0.00 C ATOM 0 H ILE A 86 -16.737 0.160 10.069 1.00 0.00 H new ATOM 0 HA ILE A 86 -14.147 -0.245 8.670 1.00 0.00 H new ATOM 0 HB ILE A 86 -15.181 -1.181 11.364 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.729 0.506 10.671 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -14.288 1.232 11.011 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -12.990 -2.271 11.654 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.908 -2.987 10.308 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.565 -1.868 9.973 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.868 1.219 13.025 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.297 0.186 13.266 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.714 -0.551 12.920 1.00 0.00 H new ATOM 1321 N PHE A 87 -14.942 -2.331 7.570 1.00 0.00 N ATOM 1322 CA PHE A 87 -15.401 -3.462 6.768 1.00 0.00 C ATOM 1323 C PHE A 87 -14.369 -4.598 6.850 1.00 0.00 C ATOM 1324 O PHE A 87 -13.211 -4.415 6.467 1.00 0.00 O ATOM 1325 CB PHE A 87 -15.630 -2.984 5.322 1.00 0.00 C ATOM 1326 CG PHE A 87 -16.498 -1.742 5.193 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -17.868 -1.799 5.514 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -15.933 -0.521 4.777 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.670 -0.648 5.406 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -16.733 0.631 4.679 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.102 0.569 4.992 1.00 0.00 C ATOM 0 H PHE A 87 -14.094 -1.902 7.199 1.00 0.00 H new ATOM 0 HA PHE A 87 -16.345 -3.852 7.148 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.662 -2.784 4.863 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -16.091 -3.793 4.755 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -18.305 -2.730 5.844 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.882 -0.469 4.533 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -19.723 -0.700 5.641 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.295 1.566 4.362 1.00 0.00 H new ATOM 0 HZ PHE A 87 -18.716 1.454 4.915 1.00 0.00 H new ATOM 1341 N ALA A 88 -14.788 -5.763 7.361 1.00 0.00 N ATOM 1342 CA ALA A 88 -13.905 -6.878 7.712 1.00 0.00 C ATOM 1343 C ALA A 88 -14.235 -8.164 6.947 1.00 0.00 C ATOM 1344 O ALA A 88 -15.404 -8.529 6.769 1.00 0.00 O ATOM 1345 CB ALA A 88 -13.991 -7.101 9.221 1.00 0.00 C ATOM 0 H ALA A 88 -15.772 -5.959 7.545 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.887 -6.617 7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.340 -7.928 9.504 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.675 -6.197 9.741 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.019 -7.338 9.496 1.00 0.00 H new ATOM 1351 N PHE A 89 -13.181 -8.860 6.518 1.00 0.00 N ATOM 1352 CA PHE A 89 -13.279 -9.977 5.588 1.00 0.00 C ATOM 1353 C PHE A 89 -12.332 -11.120 5.953 1.00 0.00 C ATOM 1354 O PHE A 89 -11.134 -10.930 6.163 1.00 0.00 O ATOM 1355 CB PHE A 89 -12.978 -9.493 4.155 1.00 0.00 C ATOM 1356 CG PHE A 89 -13.818 -8.335 3.644 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -13.485 -7.013 3.998 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -14.916 -8.570 2.794 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -14.274 -5.942 3.550 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -15.697 -7.493 2.335 1.00 0.00 C ATOM 1361 CZ PHE A 89 -15.385 -6.180 2.726 1.00 0.00 C ATOM 0 H PHE A 89 -12.225 -8.658 6.812 1.00 0.00 H new ATOM 0 HA PHE A 89 -14.297 -10.361 5.648 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.929 -9.202 4.106 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -13.107 -10.335 3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -12.620 -6.823 4.616 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -15.159 -9.579 2.494 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -14.025 -4.932 3.840 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -16.537 -7.676 1.681 1.00 0.00 H new ATOM 0 HZ PHE A 89 -15.999 -5.356 2.393 1.00 0.00 H new ATOM 1371 N LYS A 90 -12.875 -12.336 5.981 1.00 0.00 N ATOM 1372 CA LYS A 90 -12.088 -13.563 6.064 1.00 0.00 C ATOM 1373 C LYS A 90 -11.322 -13.782 4.746 1.00 0.00 C ATOM 1374 O LYS A 90 -11.887 -13.593 3.666 1.00 0.00 O ATOM 1375 CB LYS A 90 -13.025 -14.731 6.418 1.00 0.00 C ATOM 1376 CG LYS A 90 -13.081 -14.906 7.940 1.00 0.00 C ATOM 1377 CD LYS A 90 -13.891 -16.149 8.336 1.00 0.00 C ATOM 1378 CE LYS A 90 -13.836 -16.339 9.858 1.00 0.00 C ATOM 1379 NZ LYS A 90 -14.701 -17.459 10.309 1.00 0.00 N ATOM 0 H LYS A 90 -13.882 -12.497 5.946 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.338 -13.493 6.851 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -14.024 -14.539 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.670 -15.649 5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.068 -14.990 8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.527 -14.021 8.393 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.926 -16.040 8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.491 -17.030 7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.807 -16.530 10.163 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.149 -15.418 10.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.253 -17.941 11.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.628 -17.087 10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.829 -18.135 9.529 1.00 0.00 H new ATOM 1393 N CYS A 91 -10.038 -14.146 4.834 1.00 0.00 N ATOM 1394 CA CYS A 91 -9.094 -14.195 3.709 1.00 0.00 C ATOM 1395 C CYS A 91 -7.900 -15.114 4.017 1.00 0.00 C ATOM 1396 O CYS A 91 -7.403 -15.130 5.143 1.00 0.00 O ATOM 1397 CB CYS A 91 -8.625 -12.758 3.426 1.00 0.00 C ATOM 1398 SG CYS A 91 -7.557 -12.748 1.959 1.00 0.00 S ATOM 0 H CYS A 91 -9.612 -14.424 5.718 1.00 0.00 H new ATOM 0 HA CYS A 91 -9.587 -14.611 2.830 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -9.485 -12.108 3.267 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.083 -12.365 4.286 1.00 0.00 H new ATOM 0 HG CYS A 91 -6.461 -12.102 2.225 1.00 0.00 H new ATOM 1404 N SER A 92 -7.407 -15.856 3.025 1.00 0.00 N ATOM 1405 CA SER A 92 -6.272 -16.780 3.209 1.00 0.00 C ATOM 1406 C SER A 92 -4.900 -16.079 3.263 1.00 0.00 C ATOM 1407 O SER A 92 -3.987 -16.593 3.915 1.00 0.00 O ATOM 1408 CB SER A 92 -6.267 -17.849 2.105 1.00 0.00 C ATOM 1409 OG SER A 92 -7.411 -18.692 2.187 1.00 0.00 O ATOM 0 H SER A 92 -7.776 -15.839 2.074 1.00 0.00 H new ATOM 0 HA SER A 92 -6.421 -17.245 4.184 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.240 -17.365 1.129 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.363 -18.453 2.186 1.00 0.00 H new ATOM 0 HG SER A 92 -7.378 -19.359 1.470 1.00 0.00 H new ATOM 1415 N ARG A 93 -4.748 -14.907 2.618 1.00 0.00 N ATOM 1416 CA ARG A 93 -3.480 -14.160 2.522 1.00 0.00 C ATOM 1417 C ARG A 93 -3.604 -12.688 2.959 1.00 0.00 C ATOM 1418 O ARG A 93 -3.017 -11.795 2.348 1.00 0.00 O ATOM 1419 CB ARG A 93 -2.898 -14.279 1.103 1.00 0.00 C ATOM 1420 CG ARG A 93 -2.904 -15.697 0.516 1.00 0.00 C ATOM 1421 CD ARG A 93 -2.143 -15.715 -0.810 1.00 0.00 C ATOM 1422 NE ARG A 93 -0.682 -15.697 -0.593 1.00 0.00 N ATOM 1423 CZ ARG A 93 0.269 -15.530 -1.504 1.00 0.00 C ATOM 1424 NH1 ARG A 93 0.010 -15.382 -2.785 1.00 0.00 N ATOM 1425 NH2 ARG A 93 1.530 -15.513 -1.131 1.00 0.00 N ATOM 0 H ARG A 93 -5.520 -14.443 2.139 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.788 -14.618 3.229 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -3.463 -13.625 0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.872 -13.912 1.115 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.445 -16.393 1.218 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.930 -16.031 0.361 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.417 -16.605 -1.377 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.434 -14.853 -1.410 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.367 -15.828 0.368 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.955 -15.393 -3.115 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.774 -15.256 -3.449 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.772 -15.628 -0.147 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.266 -15.385 -1.826 1.00 0.00 H new ATOM 1439 N ALA A 94 -4.359 -12.417 4.027 1.00 0.00 N ATOM 1440 CA ALA A 94 -4.571 -11.079 4.593 1.00 0.00 C ATOM 1441 C ALA A 94 -3.288 -10.241 4.775 1.00 0.00 C ATOM 1442 O ALA A 94 -3.283 -9.053 4.452 1.00 0.00 O ATOM 1443 CB ALA A 94 -5.291 -11.252 5.933 1.00 0.00 C ATOM 0 H ALA A 94 -4.856 -13.145 4.539 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.166 -10.512 3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.464 -10.274 6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.246 -11.751 5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.676 -11.854 6.602 1.00 0.00 H new ATOM 1449 N GLU A 95 -2.191 -10.854 5.230 1.00 0.00 N ATOM 1450 CA GLU A 95 -0.896 -10.183 5.387 1.00 0.00 C ATOM 1451 C GLU A 95 -0.266 -9.783 4.044 1.00 0.00 C ATOM 1452 O GLU A 95 0.339 -8.722 3.940 1.00 0.00 O ATOM 1453 CB GLU A 95 0.045 -11.098 6.176 1.00 0.00 C ATOM 1454 CG GLU A 95 1.372 -10.405 6.510 1.00 0.00 C ATOM 1455 CD GLU A 95 2.269 -11.189 7.487 1.00 0.00 C ATOM 1456 OE1 GLU A 95 1.897 -12.294 7.951 1.00 0.00 O ATOM 1457 OE2 GLU A 95 3.392 -10.710 7.774 1.00 0.00 O ATOM 0 H GLU A 95 -2.176 -11.837 5.502 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.062 -9.254 5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.443 -11.411 7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.243 -12.001 5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.923 -10.236 5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.159 -9.425 6.937 1.00 0.00 H new ATOM 1464 N GLU A 96 -0.444 -10.586 2.997 1.00 0.00 N ATOM 1465 CA GLU A 96 0.023 -10.258 1.644 1.00 0.00 C ATOM 1466 C GLU A 96 -0.794 -9.130 1.009 1.00 0.00 C ATOM 1467 O GLU A 96 -0.237 -8.331 0.257 1.00 0.00 O ATOM 1468 CB GLU A 96 0.026 -11.498 0.743 1.00 0.00 C ATOM 1469 CG GLU A 96 1.067 -12.539 1.180 1.00 0.00 C ATOM 1470 CD GLU A 96 2.510 -12.030 1.010 1.00 0.00 C ATOM 1471 OE1 GLU A 96 3.043 -11.374 1.938 1.00 0.00 O ATOM 1472 OE2 GLU A 96 3.123 -12.299 -0.050 1.00 0.00 O ATOM 0 H GLU A 96 -0.918 -11.487 3.059 1.00 0.00 H new ATOM 0 HA GLU A 96 1.048 -9.902 1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.964 -11.953 0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.228 -11.196 -0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.898 -12.803 2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.934 -13.450 0.596 1.00 0.00 H new ATOM 1479 N ILE A 97 -2.082 -8.998 1.351 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.870 -7.811 0.979 1.00 0.00 C ATOM 1481 C ILE A 97 -2.309 -6.577 1.693 1.00 0.00 C ATOM 1482 O ILE A 97 -2.060 -5.559 1.047 1.00 0.00 O ATOM 1483 CB ILE A 97 -4.375 -8.001 1.284 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -4.968 -9.175 0.477 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -5.115 -6.691 0.955 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -6.353 -9.602 0.974 1.00 0.00 C ATOM 0 H ILE A 97 -2.602 -9.696 1.884 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.786 -7.666 -0.098 1.00 0.00 H new ATOM 0 HB ILE A 97 -4.497 -8.241 2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.037 -8.890 -0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.290 -10.026 0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.178 -6.811 1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.713 -5.883 1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.979 -6.451 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.718 -10.431 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.285 -9.917 2.015 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.043 -8.762 0.893 1.00 0.00 H new ATOM 1498 N PHE A 98 -2.055 -6.678 3.002 1.00 0.00 N ATOM 1499 CA PHE A 98 -1.463 -5.611 3.809 1.00 0.00 C ATOM 1500 C PHE A 98 -0.078 -5.183 3.273 1.00 0.00 C ATOM 1501 O PHE A 98 0.197 -3.986 3.148 1.00 0.00 O ATOM 1502 CB PHE A 98 -1.444 -6.087 5.265 1.00 0.00 C ATOM 1503 CG PHE A 98 -0.334 -5.537 6.130 1.00 0.00 C ATOM 1504 CD1 PHE A 98 -0.465 -4.280 6.745 1.00 0.00 C ATOM 1505 CD2 PHE A 98 0.821 -6.310 6.348 1.00 0.00 C ATOM 1506 CE1 PHE A 98 0.555 -3.812 7.588 1.00 0.00 C ATOM 1507 CE2 PHE A 98 1.836 -5.843 7.195 1.00 0.00 C ATOM 1508 CZ PHE A 98 1.699 -4.597 7.823 1.00 0.00 C ATOM 0 H PHE A 98 -2.260 -7.521 3.539 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.063 -4.703 3.747 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.398 -5.826 5.724 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.375 -7.175 5.269 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -1.345 -3.678 6.570 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.926 -7.268 5.860 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.461 -2.844 8.059 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.720 -6.441 7.363 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.472 -4.240 8.487 1.00 0.00 H new ATOM 1518 N ASN A 99 0.765 -6.148 2.885 1.00 0.00 N ATOM 1519 CA ASN A 99 2.083 -5.914 2.290 1.00 0.00 C ATOM 1520 C ASN A 99 1.991 -5.281 0.890 1.00 0.00 C ATOM 1521 O ASN A 99 2.751 -4.357 0.589 1.00 0.00 O ATOM 1522 CB ASN A 99 2.870 -7.237 2.214 1.00 0.00 C ATOM 1523 CG ASN A 99 3.383 -7.747 3.561 1.00 0.00 C ATOM 1524 OD1 ASN A 99 3.700 -6.981 4.465 1.00 0.00 O ATOM 1525 ND2 ASN A 99 3.534 -9.050 3.725 1.00 0.00 N ATOM 0 H ASN A 99 0.542 -7.139 2.980 1.00 0.00 H new ATOM 0 HA ASN A 99 2.606 -5.207 2.934 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.231 -8.000 1.770 1.00 0.00 H new ATOM 0 HB3 ASN A 99 3.719 -7.102 1.543 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.912 -9.413 4.600 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.272 -9.692 2.977 1.00 0.00 H new ATOM 1532 N LEU A 100 1.069 -5.740 0.032 1.00 0.00 N ATOM 1533 CA LEU A 100 0.937 -5.231 -1.334 1.00 0.00 C ATOM 1534 C LEU A 100 0.276 -3.849 -1.375 1.00 0.00 C ATOM 1535 O LEU A 100 0.657 -3.026 -2.202 1.00 0.00 O ATOM 1536 CB LEU A 100 0.199 -6.276 -2.196 1.00 0.00 C ATOM 1537 CG LEU A 100 0.107 -5.935 -3.700 1.00 0.00 C ATOM 1538 CD1 LEU A 100 1.470 -5.628 -4.344 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.531 -7.111 -4.456 1.00 0.00 C ATOM 0 H LEU A 100 0.398 -6.471 0.267 1.00 0.00 H new ATOM 0 HA LEU A 100 1.931 -5.081 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.703 -7.236 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.811 -6.400 -1.805 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.501 -5.033 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.330 -5.397 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.925 -4.773 -3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.123 -6.496 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.595 -6.869 -5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.081 -8.003 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.531 -7.295 -4.064 1.00 0.00 H new ATOM 1551 N LEU A 101 -0.645 -3.552 -0.452 1.00 0.00 N ATOM 1552 CA LEU A 101 -1.300 -2.245 -0.348 1.00 0.00 C ATOM 1553 C LEU A 101 -0.292 -1.099 -0.251 1.00 0.00 C ATOM 1554 O LEU A 101 -0.323 -0.186 -1.076 1.00 0.00 O ATOM 1555 CB LEU A 101 -2.262 -2.243 0.859 1.00 0.00 C ATOM 1556 CG LEU A 101 -3.680 -2.690 0.471 1.00 0.00 C ATOM 1557 CD1 LEU A 101 -4.530 -2.949 1.717 1.00 0.00 C ATOM 1558 CD2 LEU A 101 -4.369 -1.622 -0.388 1.00 0.00 C ATOM 0 H LEU A 101 -0.960 -4.220 0.251 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.870 -2.078 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.873 -2.905 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.303 -1.242 1.287 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.588 -3.613 -0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.529 -3.264 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.067 -3.733 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.600 -2.035 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -5.372 -1.958 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.435 -0.690 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.791 -1.457 -1.297 1.00 0.00 H new ATOM 1570 N GLN A 102 0.630 -1.168 0.712 1.00 0.00 N ATOM 1571 CA GLN A 102 1.650 -0.131 0.893 1.00 0.00 C ATOM 1572 C GLN A 102 2.612 -0.008 -0.303 1.00 0.00 C ATOM 1573 O GLN A 102 3.047 1.102 -0.606 1.00 0.00 O ATOM 1574 CB GLN A 102 2.397 -0.307 2.225 1.00 0.00 C ATOM 1575 CG GLN A 102 3.172 -1.620 2.372 1.00 0.00 C ATOM 1576 CD GLN A 102 3.954 -1.661 3.687 1.00 0.00 C ATOM 1577 OE1 GLN A 102 3.431 -1.970 4.750 1.00 0.00 O ATOM 1578 NE2 GLN A 102 5.233 -1.341 3.676 1.00 0.00 N ATOM 0 H GLN A 102 0.691 -1.935 1.382 1.00 0.00 H new ATOM 0 HA GLN A 102 1.119 0.820 0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.094 0.523 2.344 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.676 -0.237 3.039 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.479 -2.460 2.333 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.860 -1.735 1.534 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.686 -1.081 2.800 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.769 -1.354 4.544 1.00 0.00 H new ATOM 1587 N ASP A 103 2.896 -1.100 -1.027 1.00 0.00 N ATOM 1588 CA ASP A 103 3.739 -1.097 -2.234 1.00 0.00 C ATOM 1589 C ASP A 103 3.106 -0.325 -3.401 1.00 0.00 C ATOM 1590 O ASP A 103 3.818 0.328 -4.168 1.00 0.00 O ATOM 1591 CB ASP A 103 4.041 -2.542 -2.682 1.00 0.00 C ATOM 1592 CG ASP A 103 5.530 -2.885 -2.533 1.00 0.00 C ATOM 1593 OD1 ASP A 103 6.316 -2.518 -3.438 1.00 0.00 O ATOM 1594 OD2 ASP A 103 5.910 -3.521 -1.521 1.00 0.00 O ATOM 0 H ASP A 103 2.541 -2.026 -0.788 1.00 0.00 H new ATOM 0 HA ASP A 103 4.663 -0.586 -1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.447 -3.238 -2.090 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.741 -2.671 -3.722 1.00 0.00 H new ATOM 1599 N LEU A 104 1.774 -0.374 -3.512 1.00 0.00 N ATOM 1600 CA LEU A 104 1.005 0.326 -4.542 1.00 0.00 C ATOM 1601 C LEU A 104 0.703 1.773 -4.128 1.00 0.00 C ATOM 1602 O LEU A 104 0.772 2.672 -4.967 1.00 0.00 O ATOM 1603 CB LEU A 104 -0.279 -0.469 -4.847 1.00 0.00 C ATOM 1604 CG LEU A 104 -0.035 -1.915 -5.335 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -1.379 -2.628 -5.503 1.00 0.00 C ATOM 1606 CD2 LEU A 104 0.782 -1.986 -6.633 1.00 0.00 C ATOM 0 H LEU A 104 1.190 -0.914 -2.873 1.00 0.00 H new ATOM 0 HA LEU A 104 1.599 0.387 -5.454 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.894 -0.501 -3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.851 0.066 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 104 0.563 -2.418 -4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.209 -3.648 -5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.901 -2.650 -4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.985 -2.094 -6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.918 -3.028 -6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.253 -1.457 -7.425 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.756 -1.523 -6.475 1.00 0.00 H new ATOM 1618 N MET A 105 0.462 2.026 -2.836 1.00 0.00 N ATOM 1619 CA MET A 105 0.309 3.382 -2.287 1.00 0.00 C ATOM 1620 C MET A 105 1.590 4.217 -2.418 1.00 0.00 C ATOM 1621 O MET A 105 1.527 5.358 -2.879 1.00 0.00 O ATOM 1622 CB MET A 105 -0.099 3.331 -0.810 1.00 0.00 C ATOM 1623 CG MET A 105 -1.536 2.862 -0.592 1.00 0.00 C ATOM 1624 SD MET A 105 -2.000 3.027 1.142 1.00 0.00 S ATOM 1625 CE MET A 105 -3.774 2.731 1.030 1.00 0.00 C ATOM 0 H MET A 105 0.367 1.291 -2.135 1.00 0.00 H new ATOM 0 HA MET A 105 -0.474 3.861 -2.875 1.00 0.00 H new ATOM 0 HB2 MET A 105 0.578 2.663 -0.277 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.022 4.322 -0.373 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.214 3.448 -1.213 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.636 1.822 -0.904 1.00 0.00 H new ATOM 0 HE1 MET A 105 -4.308 3.513 1.570 1.00 0.00 H new ATOM 0 HE2 MET A 105 -4.079 2.739 -0.016 1.00 0.00 H new ATOM 0 HE3 MET A 105 -4.010 1.762 1.469 1.00 0.00 H new ATOM 2271 N PHE B 2 -21.049 -5.470 6.547 1.00 0.00 N ATOM 2272 CA PHE B 2 -21.102 -5.279 8.001 1.00 0.00 C ATOM 2273 C PHE B 2 -20.177 -4.137 8.452 1.00 0.00 C ATOM 2274 O PHE B 2 -19.043 -4.049 7.981 1.00 0.00 O ATOM 2275 CB PHE B 2 -20.718 -6.595 8.689 1.00 0.00 C ATOM 2276 CG PHE B 2 -21.183 -6.682 10.129 1.00 0.00 C ATOM 2277 CD1 PHE B 2 -20.379 -6.194 11.179 1.00 0.00 C ATOM 2278 CD2 PHE B 2 -22.446 -7.235 10.412 1.00 0.00 C ATOM 2279 CE1 PHE B 2 -20.857 -6.244 12.503 1.00 0.00 C ATOM 2280 CE2 PHE B 2 -22.913 -7.296 11.735 1.00 0.00 C ATOM 2281 CZ PHE B 2 -22.120 -6.793 12.781 1.00 0.00 C ATOM 0 HA PHE B 2 -22.116 -4.999 8.285 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -21.143 -7.427 8.127 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -19.634 -6.710 8.658 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -19.402 -5.784 10.969 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -23.059 -7.614 9.608 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -20.250 -5.858 13.308 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -23.879 -7.728 11.948 1.00 0.00 H new ATOM 0 HZ PHE B 2 -22.482 -6.829 13.798 1.00 0.00 H new ATOM 2291 N ARG B 3 -20.653 -3.290 9.377 1.00 0.00 N ATOM 2292 CA ARG B 3 -19.882 -2.201 9.992 1.00 0.00 C ATOM 2293 C ARG B 3 -19.506 -2.581 11.431 1.00 0.00 C ATOM 2294 O ARG B 3 -20.393 -2.752 12.272 1.00 0.00 O ATOM 2295 CB ARG B 3 -20.686 -0.885 10.002 1.00 0.00 C ATOM 2296 CG ARG B 3 -20.994 -0.276 8.621 1.00 0.00 C ATOM 2297 CD ARG B 3 -22.159 -0.919 7.850 1.00 0.00 C ATOM 2298 NE ARG B 3 -23.425 -0.839 8.605 1.00 0.00 N ATOM 2299 CZ ARG B 3 -24.462 -1.668 8.530 1.00 0.00 C ATOM 2300 NH1 ARG B 3 -24.483 -2.706 7.720 1.00 0.00 N ATOM 2301 NH2 ARG B 3 -25.515 -1.457 9.289 1.00 0.00 N ATOM 0 H ARG B 3 -21.610 -3.346 9.726 1.00 0.00 H new ATOM 0 HA ARG B 3 -18.979 -2.048 9.400 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -21.629 -1.062 10.519 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -20.135 -0.149 10.588 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -21.212 0.784 8.753 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -20.096 -0.343 8.007 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -22.277 -0.421 6.888 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -21.925 -1.963 7.642 1.00 0.00 H new ATOM 0 HE ARG B 3 -23.514 -0.060 9.258 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -23.683 -2.900 7.118 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -25.300 -3.317 7.694 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -25.532 -0.663 9.929 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -26.315 -2.088 9.238 1.00 0.00 H new ATOM 2315 N LEU B 4 -18.210 -2.707 11.730 1.00 0.00 N ATOM 2316 CA LEU B 4 -17.732 -3.026 13.086 1.00 0.00 C ATOM 2317 C LEU B 4 -17.738 -1.816 14.029 1.00 0.00 C ATOM 2318 O LEU B 4 -17.660 -0.661 13.602 1.00 0.00 O ATOM 2319 CB LEU B 4 -16.328 -3.657 13.040 1.00 0.00 C ATOM 2320 CG LEU B 4 -16.276 -5.043 12.388 1.00 0.00 C ATOM 2321 CD1 LEU B 4 -14.820 -5.484 12.249 1.00 0.00 C ATOM 2322 CD2 LEU B 4 -16.997 -6.102 13.218 1.00 0.00 C ATOM 0 H LEU B 4 -17.463 -2.592 11.045 1.00 0.00 H new ATOM 0 HA LEU B 4 -18.439 -3.748 13.493 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -15.660 -2.988 12.497 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -15.944 -3.733 14.057 1.00 0.00 H new ATOM 0 HG LEU B 4 -16.769 -4.957 11.420 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -14.781 -6.470 11.785 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -14.281 -4.769 11.627 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -14.358 -5.528 13.235 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -16.932 -7.066 12.714 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -16.530 -6.174 14.200 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -18.044 -5.823 13.333 1.00 0.00 H new ATOM 2334 N ARG B 5 -17.771 -2.127 15.329 1.00 0.00 N ATOM 2335 CA ARG B 5 -17.659 -1.171 16.449 1.00 0.00 C ATOM 2336 C ARG B 5 -16.206 -0.875 16.876 1.00 0.00 C ATOM 2337 O ARG B 5 -15.969 0.014 17.693 1.00 0.00 O ATOM 2338 CB ARG B 5 -18.473 -1.694 17.647 1.00 0.00 C ATOM 2339 CG ARG B 5 -19.974 -1.389 17.539 1.00 0.00 C ATOM 2340 CD ARG B 5 -20.278 0.112 17.680 1.00 0.00 C ATOM 2341 NE ARG B 5 -21.717 0.361 17.884 1.00 0.00 N ATOM 2342 CZ ARG B 5 -22.365 0.382 19.046 1.00 0.00 C ATOM 2343 NH1 ARG B 5 -21.765 0.123 20.191 1.00 0.00 N ATOM 2344 NH2 ARG B 5 -23.649 0.668 19.071 1.00 0.00 N ATOM 0 H ARG B 5 -17.881 -3.089 15.649 1.00 0.00 H new ATOM 0 HA ARG B 5 -18.061 -0.222 16.095 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -18.333 -2.772 17.730 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -18.084 -1.250 18.564 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -20.346 -1.744 16.578 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -20.511 -1.940 18.311 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -19.716 0.520 18.520 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -19.941 0.637 16.786 1.00 0.00 H new ATOM 0 HE ARG B 5 -22.274 0.535 17.047 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -20.771 -0.103 20.206 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -22.295 0.149 21.062 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -24.143 0.872 18.202 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -24.150 0.685 19.959 1.00 0.00 H new ATOM 2358 N HIS B 6 -15.238 -1.608 16.328 1.00 0.00 N ATOM 2359 CA HIS B 6 -13.807 -1.575 16.663 1.00 0.00 C ATOM 2360 C HIS B 6 -12.972 -2.202 15.528 1.00 0.00 C ATOM 2361 O HIS B 6 -13.513 -2.913 14.676 1.00 0.00 O ATOM 2362 CB HIS B 6 -13.570 -2.310 17.997 1.00 0.00 C ATOM 2363 CG HIS B 6 -13.872 -3.783 17.919 1.00 0.00 C ATOM 2364 ND1 HIS B 6 -12.947 -4.787 17.622 1.00 0.00 N ATOM 2365 CD2 HIS B 6 -15.114 -4.336 18.007 1.00 0.00 C ATOM 2366 CE1 HIS B 6 -13.662 -5.922 17.534 1.00 0.00 C ATOM 2367 NE2 HIS B 6 -14.966 -5.679 17.757 1.00 0.00 N ATOM 0 H HIS B 6 -15.440 -2.284 15.592 1.00 0.00 H new ATOM 0 HA HIS B 6 -13.489 -0.539 16.776 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -12.532 -2.173 18.301 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -14.191 -1.858 18.770 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -16.036 -3.819 18.230 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -13.247 -6.895 17.315 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -15.715 -6.371 17.743 1.00 0.00 H new ATOM 2375 N PHE B 7 -11.661 -1.948 15.506 1.00 0.00 N ATOM 2376 CA PHE B 7 -10.778 -2.485 14.470 1.00 0.00 C ATOM 2377 C PHE B 7 -10.267 -3.891 14.860 1.00 0.00 C ATOM 2378 O PHE B 7 -9.668 -4.029 15.931 1.00 0.00 O ATOM 2379 CB PHE B 7 -9.647 -1.481 14.199 1.00 0.00 C ATOM 2380 CG PHE B 7 -9.005 -1.661 12.841 1.00 0.00 C ATOM 2381 CD1 PHE B 7 -9.799 -1.599 11.681 1.00 0.00 C ATOM 2382 CD2 PHE B 7 -7.619 -1.862 12.725 1.00 0.00 C ATOM 2383 CE1 PHE B 7 -9.225 -1.778 10.418 1.00 0.00 C ATOM 2384 CE2 PHE B 7 -7.034 -1.974 11.452 1.00 0.00 C ATOM 2385 CZ PHE B 7 -7.838 -1.949 10.299 1.00 0.00 C ATOM 0 H PHE B 7 -11.186 -1.370 16.199 1.00 0.00 H new ATOM 0 HA PHE B 7 -11.328 -2.617 13.539 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -10.043 -0.468 14.276 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -8.885 -1.585 14.971 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -10.859 -1.412 11.766 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -7.005 -1.930 13.611 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -9.849 -1.785 9.536 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -5.963 -2.080 11.359 1.00 0.00 H new ATOM 0 HZ PHE B 7 -7.388 -2.061 9.323 1.00 0.00 H new ATOM 2395 N PRO B 8 -10.495 -4.934 14.030 1.00 0.00 N ATOM 2396 CA PRO B 8 -10.210 -6.325 14.387 1.00 0.00 C ATOM 2397 C PRO B 8 -8.736 -6.722 14.203 1.00 0.00 C ATOM 2398 O PRO B 8 -8.334 -7.782 14.682 1.00 0.00 O ATOM 2399 CB PRO B 8 -11.115 -7.155 13.471 1.00 0.00 C ATOM 2400 CG PRO B 8 -11.164 -6.313 12.199 1.00 0.00 C ATOM 2401 CD PRO B 8 -11.169 -4.885 12.738 1.00 0.00 C ATOM 0 HA PRO B 8 -10.401 -6.491 15.447 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -10.703 -8.147 13.285 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -12.106 -7.297 13.901 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -10.303 -6.500 11.557 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -12.055 -6.525 11.608 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -10.653 -4.210 12.055 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -12.188 -4.513 12.845 1.00 0.00 H new ATOM 2409 N CYS B 9 -7.931 -5.892 13.524 1.00 0.00 N ATOM 2410 CA CYS B 9 -6.548 -6.198 13.159 1.00 0.00 C ATOM 2411 C CYS B 9 -5.551 -5.537 14.123 1.00 0.00 C ATOM 2412 O CYS B 9 -5.527 -4.310 14.259 1.00 0.00 O ATOM 2413 CB CYS B 9 -6.328 -5.753 11.708 1.00 0.00 C ATOM 2414 SG CYS B 9 -7.382 -6.739 10.602 1.00 0.00 S ATOM 0 H CYS B 9 -8.234 -4.970 13.208 1.00 0.00 H new ATOM 0 HA CYS B 9 -6.371 -7.271 13.239 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -6.563 -4.694 11.602 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -5.280 -5.876 11.434 1.00 0.00 H new ATOM 0 HG CYS B 9 -6.826 -7.894 10.388 1.00 0.00 H new ATOM 2420 N GLY B 10 -4.708 -6.349 14.771 1.00 0.00 N ATOM 2421 CA GLY B 10 -3.721 -5.900 15.764 1.00 0.00 C ATOM 2422 C GLY B 10 -2.466 -5.254 15.168 1.00 0.00 C ATOM 2423 O GLY B 10 -1.735 -4.583 15.895 1.00 0.00 O ATOM 0 H GLY B 10 -4.691 -7.357 14.618 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -4.198 -5.185 16.434 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -3.421 -6.754 16.371 1.00 0.00 H new ATOM 2427 N ASN B 11 -2.231 -5.417 13.860 1.00 0.00 N ATOM 2428 CA ASN B 11 -1.122 -4.813 13.112 1.00 0.00 C ATOM 2429 C ASN B 11 -1.642 -4.058 11.873 1.00 0.00 C ATOM 2430 O ASN B 11 -2.539 -4.533 11.171 1.00 0.00 O ATOM 2431 CB ASN B 11 -0.113 -5.899 12.700 1.00 0.00 C ATOM 2432 CG ASN B 11 0.693 -6.476 13.863 1.00 0.00 C ATOM 2433 OD1 ASN B 11 1.048 -5.790 14.817 1.00 0.00 O ATOM 2434 ND2 ASN B 11 1.033 -7.750 13.808 1.00 0.00 N ATOM 0 H ASN B 11 -2.831 -5.995 13.272 1.00 0.00 H new ATOM 0 HA ASN B 11 -0.620 -4.092 13.757 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -0.649 -6.709 12.206 1.00 0.00 H new ATOM 0 HB3 ASN B 11 0.576 -5.480 11.967 1.00 0.00 H new ATOM 0 HD21 ASN B 11 1.589 -8.162 14.557 1.00 0.00 H new ATOM 0 HD22 ASN B 11 0.739 -8.322 13.016 1.00 0.00 H new ATOM 2441 N VAL B 12 -1.072 -2.877 11.613 1.00 0.00 N ATOM 2442 CA VAL B 12 -1.490 -1.930 10.571 1.00 0.00 C ATOM 2443 C VAL B 12 -0.393 -0.894 10.303 1.00 0.00 C ATOM 2444 O VAL B 12 0.287 -0.427 11.216 1.00 0.00 O ATOM 2445 CB VAL B 12 -2.847 -1.256 10.912 1.00 0.00 C ATOM 2446 CG1 VAL B 12 -2.965 -0.750 12.360 1.00 0.00 C ATOM 2447 CG2 VAL B 12 -3.171 -0.075 9.985 1.00 0.00 C ATOM 0 H VAL B 12 -0.271 -2.539 12.146 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.644 -2.497 9.653 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.562 -2.066 10.768 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.944 -0.295 12.508 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.846 -1.587 13.049 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.188 -0.010 12.551 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.130 0.358 10.269 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.391 0.681 10.073 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.222 -0.425 8.954 1.00 0.00 H new ATOM 2457 N ASN B 13 -0.260 -0.544 9.025 1.00 0.00 N ATOM 2458 CA ASN B 13 0.577 0.520 8.482 1.00 0.00 C ATOM 2459 C ASN B 13 -0.348 1.573 7.848 1.00 0.00 C ATOM 2460 O ASN B 13 -1.038 1.285 6.872 1.00 0.00 O ATOM 2461 CB ASN B 13 1.529 -0.117 7.456 1.00 0.00 C ATOM 2462 CG ASN B 13 2.286 0.913 6.626 1.00 0.00 C ATOM 2463 OD1 ASN B 13 3.277 1.487 7.061 1.00 0.00 O ATOM 2464 ND2 ASN B 13 1.830 1.177 5.415 1.00 0.00 N ATOM 0 H ASN B 13 -0.772 -1.033 8.291 1.00 0.00 H new ATOM 0 HA ASN B 13 1.177 1.016 9.245 1.00 0.00 H new ATOM 0 HB2 ASN B 13 2.245 -0.752 7.978 1.00 0.00 H new ATOM 0 HB3 ASN B 13 0.957 -0.763 6.790 1.00 0.00 H new ATOM 0 HD21 ASN B 13 2.304 1.866 4.830 1.00 0.00 H new ATOM 0 HD22 ASN B 13 1.004 0.692 5.064 1.00 0.00 H new ATOM 2471 N TYR B 14 -0.392 2.786 8.403 1.00 0.00 N ATOM 2472 CA TYR B 14 -1.221 3.873 7.865 1.00 0.00 C ATOM 2473 C TYR B 14 -0.591 4.445 6.578 1.00 0.00 C ATOM 2474 O TYR B 14 0.590 4.803 6.566 1.00 0.00 O ATOM 2475 CB TYR B 14 -1.423 4.959 8.933 1.00 0.00 C ATOM 2476 CG TYR B 14 -1.974 4.467 10.264 1.00 0.00 C ATOM 2477 CD1 TYR B 14 -3.361 4.294 10.453 1.00 0.00 C ATOM 2478 CD2 TYR B 14 -1.089 4.204 11.330 1.00 0.00 C ATOM 2479 CE1 TYR B 14 -3.860 3.894 11.709 1.00 0.00 C ATOM 2480 CE2 TYR B 14 -1.580 3.771 12.576 1.00 0.00 C ATOM 2481 CZ TYR B 14 -2.971 3.621 12.772 1.00 0.00 C ATOM 2482 OH TYR B 14 -3.448 3.223 13.984 1.00 0.00 O ATOM 0 H TYR B 14 0.142 3.044 9.233 1.00 0.00 H new ATOM 0 HA TYR B 14 -2.202 3.479 7.600 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -0.467 5.450 9.114 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -2.100 5.715 8.535 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -4.042 4.468 9.633 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -0.026 4.336 11.189 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -4.925 3.796 11.859 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -0.894 3.554 13.381 1.00 0.00 H new ATOM 0 HH TYR B 14 -2.699 3.078 14.599 1.00 0.00 H new