USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 775 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: B 13 ASN : amide:sc=-0.000765 K(o=-0.00077,f=-2.9!) USER MOD Set 2.1: A 76 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 80 CYS SG : rot -78:sc= 0.678 USER MOD Set 2.3: A 82 THR OG1 : rot 148:sc= 0.735 USER MOD Set 3.1: A 17 HIS : no HD1:sc= -0.31 K(o=-0.17,f=-6.6!) USER MOD Set 3.2: A 19 THR OG1 : rot -17:sc= 0.135 USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= 1.29 (180deg=1.28) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.134 X(o=0.13,f=0.0033) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0062 USER MOD Single : A 38 MET CE :methyl -160:sc=-0.00479 (180deg=-0.674) USER MOD Single : A 41 THR OG1 : rot -58:sc= 1.43 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.988 K(o=0.99,f=-3!) USER MOD Single : A 59 TYR OH : rot -178:sc= 1.24 USER MOD Single : A 61 CYS SG : rot -56:sc= 0.553 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -28:sc= 0.0276 USER MOD Single : A 70 ASN : amide:sc=-0.000847 K(o=-0.00085,f=-1.2) USER MOD Single : A 73 SER OG : rot 39:sc= 0.0799 USER MOD Single : A 81 GLN : amide:sc= 0.796 K(o=0.8,f=-2.7!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot 72:sc= 0.246 USER MOD Single : A 92 SER OG : rot -38:sc= 0.0142 USER MOD Single : A 99 ASN : amide:sc= 0.978 K(o=0.98,f=0) USER MOD Single : A 102 GLN : amide:sc= 0.733 K(o=0.73,f=0) USER MOD Single : A 105 MET CE :methyl 148:sc= -0.0342 (180deg=-2.65) USER MOD Single : B 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 9 CYS SG : rot -175:sc= 0.0724 USER MOD Single : B 11 ASN : amide:sc= -0.0444 K(o=-0.044,f=-0.95) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N HIS A 17 -3.892 -16.261 -6.328 1.00 0.00 N ATOM 203 CA HIS A 17 -3.435 -15.332 -7.378 1.00 0.00 C ATOM 204 C HIS A 17 -2.628 -14.122 -6.820 1.00 0.00 C ATOM 205 O HIS A 17 -2.928 -13.649 -5.718 1.00 0.00 O ATOM 206 CB HIS A 17 -4.666 -14.859 -8.168 1.00 0.00 C ATOM 207 CG HIS A 17 -4.350 -14.289 -9.518 1.00 0.00 C ATOM 208 ND1 HIS A 17 -4.084 -12.944 -9.776 1.00 0.00 N ATOM 209 CD2 HIS A 17 -4.224 -15.004 -10.671 1.00 0.00 C ATOM 210 CE1 HIS A 17 -3.829 -12.883 -11.096 1.00 0.00 C ATOM 211 NE2 HIS A 17 -3.902 -14.101 -11.658 1.00 0.00 N ATOM 0 HA HIS A 17 -2.741 -15.864 -8.029 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.349 -15.700 -8.292 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.192 -14.105 -7.582 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.352 -16.070 -10.787 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.596 -11.975 -11.633 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -3.746 -14.318 -12.642 1.00 0.00 H new ATOM 219 N PRO A 18 -1.626 -13.588 -7.555 1.00 0.00 N ATOM 220 CA PRO A 18 -0.820 -12.449 -7.103 1.00 0.00 C ATOM 221 C PRO A 18 -1.536 -11.086 -7.121 1.00 0.00 C ATOM 222 O PRO A 18 -0.995 -10.147 -6.539 1.00 0.00 O ATOM 223 CB PRO A 18 0.419 -12.439 -8.006 1.00 0.00 C ATOM 224 CG PRO A 18 -0.085 -13.082 -9.295 1.00 0.00 C ATOM 225 CD PRO A 18 -1.036 -14.150 -8.765 1.00 0.00 C ATOM 0 HA PRO A 18 -0.580 -12.583 -6.048 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.785 -11.426 -8.177 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.241 -13.005 -7.568 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.595 -12.364 -9.937 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.727 -13.513 -9.881 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.804 -14.390 -9.500 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.503 -15.076 -8.547 1.00 0.00 H new ATOM 233 N THR A 19 -2.723 -10.949 -7.742 1.00 0.00 N ATOM 234 CA THR A 19 -3.487 -9.678 -7.780 1.00 0.00 C ATOM 235 C THR A 19 -4.962 -9.813 -7.409 1.00 0.00 C ATOM 236 O THR A 19 -5.559 -8.831 -6.964 1.00 0.00 O ATOM 237 CB THR A 19 -3.362 -8.961 -9.132 1.00 0.00 C ATOM 238 OG1 THR A 19 -3.960 -9.732 -10.146 1.00 0.00 O ATOM 239 CG2 THR A 19 -1.912 -8.682 -9.529 1.00 0.00 C ATOM 0 H THR A 19 -3.184 -11.715 -8.233 1.00 0.00 H new ATOM 0 HA THR A 19 -3.019 -9.072 -7.004 1.00 0.00 H new ATOM 0 HB THR A 19 -3.870 -8.004 -9.017 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.069 -10.655 -9.834 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.890 -8.174 -10.493 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.444 -8.050 -8.775 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.367 -9.623 -9.602 1.00 0.00 H new ATOM 247 N LYS A 20 -5.539 -11.013 -7.525 1.00 0.00 N ATOM 248 CA LYS A 20 -6.874 -11.343 -7.009 1.00 0.00 C ATOM 249 C LYS A 20 -6.759 -12.146 -5.698 1.00 0.00 C ATOM 250 O LYS A 20 -5.919 -13.037 -5.570 1.00 0.00 O ATOM 251 CB LYS A 20 -7.675 -12.139 -8.057 1.00 0.00 C ATOM 252 CG LYS A 20 -8.259 -11.336 -9.231 1.00 0.00 C ATOM 253 CD LYS A 20 -7.194 -10.835 -10.220 1.00 0.00 C ATOM 254 CE LYS A 20 -7.657 -10.882 -11.681 1.00 0.00 C ATOM 255 NZ LYS A 20 -8.790 -9.966 -11.966 1.00 0.00 N ATOM 0 H LYS A 20 -5.083 -11.799 -7.989 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.404 -10.413 -6.802 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.027 -12.915 -8.464 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.496 -12.644 -7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.976 -11.959 -9.766 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.810 -10.481 -8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.923 -9.811 -9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.293 -11.439 -10.111 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.819 -10.625 -12.329 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.951 -11.902 -11.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.045 -10.032 -12.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.609 -10.234 -11.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.511 -8.989 -11.743 1.00 0.00 H new ATOM 269 N PHE A 21 -7.634 -11.872 -4.734 1.00 0.00 N ATOM 270 CA PHE A 21 -7.659 -12.518 -3.423 1.00 0.00 C ATOM 271 C PHE A 21 -9.113 -12.848 -3.076 1.00 0.00 C ATOM 272 O PHE A 21 -9.932 -11.955 -2.871 1.00 0.00 O ATOM 273 CB PHE A 21 -6.991 -11.601 -2.378 1.00 0.00 C ATOM 274 CG PHE A 21 -5.532 -11.268 -2.659 1.00 0.00 C ATOM 275 CD1 PHE A 21 -5.199 -10.190 -3.504 1.00 0.00 C ATOM 276 CD2 PHE A 21 -4.498 -12.036 -2.088 1.00 0.00 C ATOM 277 CE1 PHE A 21 -3.853 -9.908 -3.797 1.00 0.00 C ATOM 278 CE2 PHE A 21 -3.154 -11.762 -2.391 1.00 0.00 C ATOM 279 CZ PHE A 21 -2.829 -10.700 -3.250 1.00 0.00 C ATOM 0 H PHE A 21 -8.368 -11.173 -4.846 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.092 -13.449 -3.431 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.556 -10.671 -2.318 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.058 -12.079 -1.401 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.981 -9.578 -3.928 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.741 -12.842 -1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.605 -9.080 -4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.370 -12.369 -1.963 1.00 0.00 H new ATOM 0 HZ PHE A 21 -1.796 -10.493 -3.489 1.00 0.00 H new ATOM 289 N LYS A 22 -9.458 -14.137 -3.038 1.00 0.00 N ATOM 290 CA LYS A 22 -10.800 -14.590 -2.651 1.00 0.00 C ATOM 291 C LYS A 22 -11.050 -14.306 -1.155 1.00 0.00 C ATOM 292 O LYS A 22 -10.187 -14.568 -0.312 1.00 0.00 O ATOM 293 CB LYS A 22 -10.965 -16.073 -3.034 1.00 0.00 C ATOM 294 CG LYS A 22 -11.216 -16.209 -4.546 1.00 0.00 C ATOM 295 CD LYS A 22 -11.112 -17.662 -5.029 1.00 0.00 C ATOM 296 CE LYS A 22 -11.373 -17.799 -6.537 1.00 0.00 C ATOM 297 NZ LYS A 22 -12.818 -17.684 -6.876 1.00 0.00 N ATOM 0 H LYS A 22 -8.818 -14.896 -3.274 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.564 -14.033 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.070 -16.629 -2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.796 -16.509 -2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.206 -15.820 -4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.495 -15.597 -5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.119 -18.048 -4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.828 -18.276 -4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.815 -17.030 -7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.997 -18.762 -6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.942 -17.783 -7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.350 -18.434 -6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.173 -16.755 -6.572 1.00 0.00 H new ATOM 311 N VAL A 23 -12.215 -13.739 -0.839 1.00 0.00 N ATOM 312 CA VAL A 23 -12.565 -13.189 0.485 1.00 0.00 C ATOM 313 C VAL A 23 -14.031 -13.461 0.839 1.00 0.00 C ATOM 314 O VAL A 23 -14.836 -13.779 -0.037 1.00 0.00 O ATOM 315 CB VAL A 23 -12.290 -11.663 0.577 1.00 0.00 C ATOM 316 CG1 VAL A 23 -10.794 -11.325 0.569 1.00 0.00 C ATOM 317 CG2 VAL A 23 -13.012 -10.835 -0.502 1.00 0.00 C ATOM 0 H VAL A 23 -12.972 -13.643 -1.516 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.923 -13.700 1.203 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.706 -11.380 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.665 -10.245 0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.309 -11.802 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.344 -11.688 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -12.771 -9.780 -0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.688 -11.163 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.089 -10.975 -0.408 1.00 0.00 H new ATOM 327 N THR A 24 -14.387 -13.305 2.117 1.00 0.00 N ATOM 328 CA THR A 24 -15.772 -13.386 2.610 1.00 0.00 C ATOM 329 C THR A 24 -15.990 -12.311 3.658 1.00 0.00 C ATOM 330 O THR A 24 -15.294 -12.295 4.666 1.00 0.00 O ATOM 331 CB THR A 24 -16.053 -14.786 3.168 1.00 0.00 C ATOM 332 OG1 THR A 24 -16.063 -15.694 2.088 1.00 0.00 O ATOM 333 CG2 THR A 24 -17.422 -14.896 3.836 1.00 0.00 C ATOM 0 H THR A 24 -13.710 -13.115 2.856 1.00 0.00 H new ATOM 0 HA THR A 24 -16.470 -13.216 1.791 1.00 0.00 H new ATOM 0 HB THR A 24 -15.282 -14.998 3.909 1.00 0.00 H new ATOM 0 HG1 THR A 24 -16.240 -16.598 2.422 1.00 0.00 H new ATOM 0 HG21 THR A 24 -17.563 -15.910 4.211 1.00 0.00 H new ATOM 0 HG22 THR A 24 -17.480 -14.191 4.665 1.00 0.00 H new ATOM 0 HG23 THR A 24 -18.201 -14.666 3.109 1.00 0.00 H new ATOM 341 N ASN A 25 -16.946 -11.410 3.431 1.00 0.00 N ATOM 342 CA ASN A 25 -17.317 -10.368 4.390 1.00 0.00 C ATOM 343 C ASN A 25 -17.904 -11.007 5.662 1.00 0.00 C ATOM 344 O ASN A 25 -18.769 -11.884 5.569 1.00 0.00 O ATOM 345 CB ASN A 25 -18.303 -9.387 3.728 1.00 0.00 C ATOM 346 CG ASN A 25 -18.613 -8.174 4.603 1.00 0.00 C ATOM 347 OD1 ASN A 25 -19.738 -7.955 5.031 1.00 0.00 O ATOM 348 ND2 ASN A 25 -17.627 -7.345 4.896 1.00 0.00 N ATOM 0 H ASN A 25 -17.490 -11.382 2.569 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.433 -9.804 4.688 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -17.888 -9.047 2.779 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.231 -9.911 3.500 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -17.805 -6.526 5.477 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -16.688 -7.524 4.541 1.00 0.00 H new ATOM 355 N VAL A 26 -17.430 -10.576 6.834 1.00 0.00 N ATOM 356 CA VAL A 26 -17.826 -11.120 8.142 1.00 0.00 C ATOM 357 C VAL A 26 -18.270 -10.028 9.117 1.00 0.00 C ATOM 358 O VAL A 26 -17.905 -8.860 8.973 1.00 0.00 O ATOM 359 CB VAL A 26 -16.729 -11.996 8.795 1.00 0.00 C ATOM 360 CG1 VAL A 26 -16.400 -13.235 7.951 1.00 0.00 C ATOM 361 CG2 VAL A 26 -15.427 -11.237 9.098 1.00 0.00 C ATOM 0 H VAL A 26 -16.745 -9.823 6.905 1.00 0.00 H new ATOM 0 HA VAL A 26 -18.680 -11.763 7.931 1.00 0.00 H new ATOM 0 HB VAL A 26 -17.162 -12.306 9.746 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.626 -13.819 8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -17.296 -13.845 7.835 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -16.044 -12.922 6.969 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.707 -11.917 9.554 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -15.014 -10.839 8.171 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.636 -10.416 9.784 1.00 0.00 H new ATOM 371 N ASP A 27 -19.061 -10.429 10.113 1.00 0.00 N ATOM 372 CA ASP A 27 -19.543 -9.559 11.192 1.00 0.00 C ATOM 373 C ASP A 27 -18.548 -9.443 12.377 1.00 0.00 C ATOM 374 O ASP A 27 -17.395 -9.871 12.293 1.00 0.00 O ATOM 375 CB ASP A 27 -20.924 -10.066 11.644 1.00 0.00 C ATOM 376 CG ASP A 27 -20.821 -11.165 12.698 1.00 0.00 C ATOM 377 OD1 ASP A 27 -20.027 -12.107 12.504 1.00 0.00 O ATOM 378 OD2 ASP A 27 -21.465 -11.017 13.764 1.00 0.00 O ATOM 0 H ASP A 27 -19.393 -11.390 10.196 1.00 0.00 H new ATOM 0 HA ASP A 27 -19.630 -8.543 10.806 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -21.501 -9.233 12.046 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -21.470 -10.444 10.780 1.00 0.00 H new ATOM 383 N ASP A 28 -19.007 -8.895 13.510 1.00 0.00 N ATOM 384 CA ASP A 28 -18.231 -8.782 14.755 1.00 0.00 C ATOM 385 C ASP A 28 -17.989 -10.137 15.460 1.00 0.00 C ATOM 386 O ASP A 28 -16.978 -10.296 16.146 1.00 0.00 O ATOM 387 CB ASP A 28 -18.955 -7.799 15.688 1.00 0.00 C ATOM 388 CG ASP A 28 -18.149 -7.489 16.960 1.00 0.00 C ATOM 389 OD1 ASP A 28 -17.088 -6.828 16.854 1.00 0.00 O ATOM 390 OD2 ASP A 28 -18.598 -7.877 18.064 1.00 0.00 O ATOM 0 H ASP A 28 -19.948 -8.509 13.590 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.238 -8.413 14.499 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -19.150 -6.871 15.151 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -19.923 -8.215 15.968 1.00 0.00 H new ATOM 395 N GLU A 29 -18.869 -11.127 15.262 1.00 0.00 N ATOM 396 CA GLU A 29 -18.710 -12.499 15.769 1.00 0.00 C ATOM 397 C GLU A 29 -17.770 -13.349 14.891 1.00 0.00 C ATOM 398 O GLU A 29 -17.287 -14.397 15.332 1.00 0.00 O ATOM 399 CB GLU A 29 -20.073 -13.214 15.832 1.00 0.00 C ATOM 400 CG GLU A 29 -21.103 -12.548 16.751 1.00 0.00 C ATOM 401 CD GLU A 29 -20.931 -12.990 18.213 1.00 0.00 C ATOM 402 OE1 GLU A 29 -20.168 -12.344 18.965 1.00 0.00 O ATOM 403 OE2 GLU A 29 -21.573 -13.990 18.623 1.00 0.00 O ATOM 0 H GLU A 29 -19.731 -10.995 14.733 1.00 0.00 H new ATOM 0 HA GLU A 29 -18.274 -12.405 16.763 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -20.486 -13.269 14.825 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -19.915 -14.239 16.168 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -21.003 -11.465 16.684 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -22.108 -12.797 16.411 1.00 0.00 H new ATOM 410 N GLY A 30 -17.523 -12.923 13.645 1.00 0.00 N ATOM 411 CA GLY A 30 -16.775 -13.669 12.631 1.00 0.00 C ATOM 412 C GLY A 30 -17.628 -14.649 11.816 1.00 0.00 C ATOM 413 O GLY A 30 -17.051 -15.535 11.186 1.00 0.00 O ATOM 0 H GLY A 30 -17.851 -12.018 13.306 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -16.303 -12.961 11.949 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.974 -14.222 13.120 1.00 0.00 H new ATOM 417 N VAL A 31 -18.961 -14.517 11.798 1.00 0.00 N ATOM 418 CA VAL A 31 -19.826 -15.305 10.898 1.00 0.00 C ATOM 419 C VAL A 31 -19.786 -14.760 9.476 1.00 0.00 C ATOM 420 O VAL A 31 -19.592 -13.567 9.254 1.00 0.00 O ATOM 421 CB VAL A 31 -21.300 -15.459 11.330 1.00 0.00 C ATOM 422 CG1 VAL A 31 -21.404 -16.337 12.583 1.00 0.00 C ATOM 423 CG2 VAL A 31 -22.095 -14.162 11.497 1.00 0.00 C ATOM 0 H VAL A 31 -19.470 -13.869 12.399 1.00 0.00 H new ATOM 0 HA VAL A 31 -19.394 -16.304 10.953 1.00 0.00 H new ATOM 0 HB VAL A 31 -21.781 -15.950 10.484 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -22.450 -16.435 12.873 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.993 -17.324 12.371 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.843 -15.877 13.397 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -23.115 -14.397 11.802 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -21.623 -13.541 12.258 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -22.115 -13.623 10.550 1.00 0.00 H new ATOM 433 N GLU A 32 -19.988 -15.662 8.522 1.00 0.00 N ATOM 434 CA GLU A 32 -19.851 -15.407 7.089 1.00 0.00 C ATOM 435 C GLU A 32 -21.171 -14.902 6.494 1.00 0.00 C ATOM 436 O GLU A 32 -22.220 -15.533 6.655 1.00 0.00 O ATOM 437 CB GLU A 32 -19.412 -16.705 6.387 1.00 0.00 C ATOM 438 CG GLU A 32 -18.016 -17.184 6.816 1.00 0.00 C ATOM 439 CD GLU A 32 -17.700 -18.559 6.209 1.00 0.00 C ATOM 440 OE1 GLU A 32 -18.167 -19.586 6.756 1.00 0.00 O ATOM 441 OE2 GLU A 32 -16.975 -18.629 5.188 1.00 0.00 O ATOM 0 H GLU A 32 -20.261 -16.623 8.729 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.099 -14.633 6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -20.139 -17.489 6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -19.419 -16.547 5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.265 -16.460 6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.965 -17.241 7.903 1.00 0.00 H new ATOM 448 N LEU A 33 -21.112 -13.758 5.804 1.00 0.00 N ATOM 449 CA LEU A 33 -22.289 -13.023 5.327 1.00 0.00 C ATOM 450 C LEU A 33 -22.428 -13.098 3.803 1.00 0.00 C ATOM 451 O LEU A 33 -23.491 -13.456 3.290 1.00 0.00 O ATOM 452 CB LEU A 33 -22.181 -11.556 5.788 1.00 0.00 C ATOM 453 CG LEU A 33 -21.896 -11.360 7.289 1.00 0.00 C ATOM 454 CD1 LEU A 33 -21.785 -9.861 7.554 1.00 0.00 C ATOM 455 CD2 LEU A 33 -22.977 -11.990 8.175 1.00 0.00 C ATOM 0 H LEU A 33 -20.230 -13.309 5.557 1.00 0.00 H new ATOM 0 HA LEU A 33 -23.182 -13.482 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.389 -11.070 5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -23.112 -11.045 5.541 1.00 0.00 H new ATOM 0 HG LEU A 33 -20.965 -11.866 7.543 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -21.583 -9.692 8.612 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -20.972 -9.445 6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -22.721 -9.373 7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -22.730 -11.824 9.224 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -23.941 -11.533 7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -23.029 -13.061 7.979 1.00 0.00 H new ATOM 467 N GLY A 34 -21.344 -12.774 3.091 1.00 0.00 N ATOM 468 CA GLY A 34 -21.260 -12.834 1.624 1.00 0.00 C ATOM 469 C GLY A 34 -19.842 -13.030 1.088 1.00 0.00 C ATOM 470 O GLY A 34 -18.905 -12.374 1.539 1.00 0.00 O ATOM 0 H GLY A 34 -20.479 -12.455 3.527 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.888 -13.651 1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -21.670 -11.913 1.209 1.00 0.00 H new ATOM 474 N SER A 35 -19.685 -13.907 0.101 1.00 0.00 N ATOM 475 CA SER A 35 -18.413 -14.191 -0.584 1.00 0.00 C ATOM 476 C SER A 35 -18.115 -13.192 -1.723 1.00 0.00 C ATOM 477 O SER A 35 -19.023 -12.712 -2.409 1.00 0.00 O ATOM 478 CB SER A 35 -18.425 -15.637 -1.111 1.00 0.00 C ATOM 479 OG SER A 35 -19.589 -15.934 -1.879 1.00 0.00 O ATOM 0 H SER A 35 -20.461 -14.461 -0.261 1.00 0.00 H new ATOM 0 HA SER A 35 -17.610 -14.073 0.144 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.539 -15.803 -1.723 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.365 -16.327 -0.269 1.00 0.00 H new ATOM 0 HG SER A 35 -19.547 -16.862 -2.191 1.00 0.00 H new ATOM 485 N GLY A 36 -16.829 -12.885 -1.934 1.00 0.00 N ATOM 486 CA GLY A 36 -16.336 -11.939 -2.941 1.00 0.00 C ATOM 487 C GLY A 36 -14.905 -12.222 -3.403 1.00 0.00 C ATOM 488 O GLY A 36 -14.184 -13.016 -2.791 1.00 0.00 O ATOM 0 H GLY A 36 -16.076 -13.304 -1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -16.999 -11.964 -3.806 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.383 -10.930 -2.532 1.00 0.00 H new ATOM 492 N VAL A 37 -14.472 -11.531 -4.457 1.00 0.00 N ATOM 493 CA VAL A 37 -13.069 -11.502 -4.896 1.00 0.00 C ATOM 494 C VAL A 37 -12.572 -10.067 -4.753 1.00 0.00 C ATOM 495 O VAL A 37 -13.118 -9.155 -5.370 1.00 0.00 O ATOM 496 CB VAL A 37 -12.884 -11.998 -6.350 1.00 0.00 C ATOM 497 CG1 VAL A 37 -11.391 -12.064 -6.711 1.00 0.00 C ATOM 498 CG2 VAL A 37 -13.515 -13.379 -6.572 1.00 0.00 C ATOM 0 H VAL A 37 -15.090 -10.967 -5.040 1.00 0.00 H new ATOM 0 HA VAL A 37 -12.491 -12.185 -4.274 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.391 -11.281 -6.995 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.280 -12.415 -7.737 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.950 -11.072 -6.617 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.883 -12.752 -6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.361 -13.687 -7.606 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.049 -14.104 -5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.584 -13.328 -6.364 1.00 0.00 H new ATOM 508 N MET A 38 -11.536 -9.873 -3.942 1.00 0.00 N ATOM 509 CA MET A 38 -10.845 -8.595 -3.794 1.00 0.00 C ATOM 510 C MET A 38 -9.740 -8.484 -4.844 1.00 0.00 C ATOM 511 O MET A 38 -8.997 -9.432 -5.088 1.00 0.00 O ATOM 512 CB MET A 38 -10.312 -8.464 -2.360 1.00 0.00 C ATOM 513 CG MET A 38 -9.707 -7.076 -2.119 1.00 0.00 C ATOM 514 SD MET A 38 -9.388 -6.665 -0.385 1.00 0.00 S ATOM 515 CE MET A 38 -11.091 -6.386 0.167 1.00 0.00 C ATOM 0 H MET A 38 -11.146 -10.613 -3.358 1.00 0.00 H new ATOM 0 HA MET A 38 -11.534 -7.767 -3.962 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.121 -8.639 -1.651 1.00 0.00 H new ATOM 0 HB3 MET A 38 -9.557 -9.229 -2.178 1.00 0.00 H new ATOM 0 HG2 MET A 38 -8.770 -7.005 -2.671 1.00 0.00 H new ATOM 0 HG3 MET A 38 -10.380 -6.327 -2.536 1.00 0.00 H new ATOM 0 HE1 MET A 38 -11.085 -5.792 1.081 1.00 0.00 H new ATOM 0 HE2 MET A 38 -11.642 -5.853 -0.608 1.00 0.00 H new ATOM 0 HE3 MET A 38 -11.572 -7.345 0.360 1.00 0.00 H new ATOM 525 N GLU A 39 -9.636 -7.317 -5.464 1.00 0.00 N ATOM 526 CA GLU A 39 -8.665 -6.996 -6.496 1.00 0.00 C ATOM 527 C GLU A 39 -7.997 -5.668 -6.143 1.00 0.00 C ATOM 528 O GLU A 39 -8.667 -4.666 -5.853 1.00 0.00 O ATOM 529 CB GLU A 39 -9.380 -6.944 -7.853 1.00 0.00 C ATOM 530 CG GLU A 39 -8.416 -6.642 -9.007 1.00 0.00 C ATOM 531 CD GLU A 39 -9.121 -6.695 -10.367 1.00 0.00 C ATOM 532 OE1 GLU A 39 -10.246 -6.161 -10.502 1.00 0.00 O ATOM 533 OE2 GLU A 39 -8.554 -7.298 -11.307 1.00 0.00 O ATOM 0 H GLU A 39 -10.255 -6.535 -5.251 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.887 -7.757 -6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.876 -7.897 -8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.157 -6.181 -7.823 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.976 -5.655 -8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.597 -7.361 -8.994 1.00 0.00 H new ATOM 540 N LEU A 40 -6.663 -5.690 -6.178 1.00 0.00 N ATOM 541 CA LEU A 40 -5.780 -4.554 -5.933 1.00 0.00 C ATOM 542 C LEU A 40 -5.223 -4.119 -7.293 1.00 0.00 C ATOM 543 O LEU A 40 -4.514 -4.889 -7.950 1.00 0.00 O ATOM 544 CB LEU A 40 -4.639 -4.964 -4.975 1.00 0.00 C ATOM 545 CG LEU A 40 -4.973 -5.068 -3.471 1.00 0.00 C ATOM 546 CD1 LEU A 40 -5.964 -6.193 -3.144 1.00 0.00 C ATOM 547 CD2 LEU A 40 -3.673 -5.337 -2.698 1.00 0.00 C ATOM 0 H LEU A 40 -6.146 -6.544 -6.389 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.318 -3.731 -5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.256 -5.931 -5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.828 -4.245 -5.090 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.440 -4.126 -3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.154 -6.210 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.900 -6.020 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.543 -7.150 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.892 -5.413 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.230 -6.270 -3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.973 -4.518 -2.867 1.00 0.00 H new ATOM 559 N THR A 41 -5.554 -2.897 -7.717 1.00 0.00 N ATOM 560 CA THR A 41 -5.103 -2.300 -8.991 1.00 0.00 C ATOM 561 C THR A 41 -4.212 -1.098 -8.717 1.00 0.00 C ATOM 562 O THR A 41 -4.184 -0.591 -7.600 1.00 0.00 O ATOM 563 CB THR A 41 -6.288 -1.909 -9.888 1.00 0.00 C ATOM 564 OG1 THR A 41 -6.957 -0.800 -9.335 1.00 0.00 O ATOM 565 CG2 THR A 41 -7.295 -3.043 -10.088 1.00 0.00 C ATOM 0 H THR A 41 -6.156 -2.276 -7.177 1.00 0.00 H new ATOM 0 HA THR A 41 -4.527 -3.052 -9.530 1.00 0.00 H new ATOM 0 HB THR A 41 -5.869 -1.668 -10.865 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.259 -1.019 -8.429 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.106 -2.700 -10.731 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.797 -3.893 -10.554 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.700 -3.344 -9.122 1.00 0.00 H new ATOM 573 N GLN A 42 -3.520 -0.584 -9.733 1.00 0.00 N ATOM 574 CA GLN A 42 -2.803 0.695 -9.615 1.00 0.00 C ATOM 575 C GLN A 42 -3.757 1.911 -9.573 1.00 0.00 C ATOM 576 O GLN A 42 -3.303 3.041 -9.397 1.00 0.00 O ATOM 577 CB GLN A 42 -1.746 0.809 -10.727 1.00 0.00 C ATOM 578 CG GLN A 42 -0.530 -0.065 -10.383 1.00 0.00 C ATOM 579 CD GLN A 42 0.490 -0.138 -11.518 1.00 0.00 C ATOM 580 OE1 GLN A 42 0.868 0.849 -12.141 1.00 0.00 O ATOM 581 NE2 GLN A 42 0.971 -1.322 -11.835 1.00 0.00 N ATOM 0 H GLN A 42 -3.438 -1.029 -10.647 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.287 0.706 -8.655 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.172 0.495 -11.680 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.437 1.848 -10.842 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.045 0.331 -9.491 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.870 -1.072 -10.141 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.665 -2.150 -11.325 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.650 -1.411 -12.591 1.00 0.00 H new ATOM 590 N SER A 43 -5.074 1.702 -9.693 1.00 0.00 N ATOM 591 CA SER A 43 -6.096 2.752 -9.580 1.00 0.00 C ATOM 592 C SER A 43 -6.715 2.823 -8.172 1.00 0.00 C ATOM 593 O SER A 43 -6.804 3.913 -7.603 1.00 0.00 O ATOM 594 CB SER A 43 -7.208 2.526 -10.619 1.00 0.00 C ATOM 595 OG SER A 43 -6.700 2.561 -11.949 1.00 0.00 O ATOM 0 H SER A 43 -5.468 0.779 -9.875 1.00 0.00 H new ATOM 0 HA SER A 43 -5.596 3.702 -9.769 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.686 1.563 -10.437 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.976 3.291 -10.502 1.00 0.00 H new ATOM 0 HG SER A 43 -7.432 2.412 -12.583 1.00 0.00 H new ATOM 601 N GLU A 44 -7.137 1.680 -7.608 1.00 0.00 N ATOM 602 CA GLU A 44 -7.924 1.565 -6.369 1.00 0.00 C ATOM 603 C GLU A 44 -8.167 0.097 -5.947 1.00 0.00 C ATOM 604 O GLU A 44 -7.828 -0.840 -6.681 1.00 0.00 O ATOM 605 CB GLU A 44 -9.260 2.329 -6.504 1.00 0.00 C ATOM 606 CG GLU A 44 -10.236 1.787 -7.552 1.00 0.00 C ATOM 607 CD GLU A 44 -11.456 2.709 -7.699 1.00 0.00 C ATOM 608 OE1 GLU A 44 -11.984 3.218 -6.684 1.00 0.00 O ATOM 609 OE2 GLU A 44 -11.907 2.906 -8.851 1.00 0.00 O ATOM 0 H GLU A 44 -6.930 0.771 -8.021 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.334 2.021 -5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.758 2.325 -5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.039 3.369 -6.744 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.729 1.694 -8.512 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.564 0.788 -7.266 1.00 0.00 H new ATOM 616 N LEU A 45 -8.803 -0.109 -4.784 1.00 0.00 N ATOM 617 CA LEU A 45 -9.306 -1.413 -4.336 1.00 0.00 C ATOM 618 C LEU A 45 -10.698 -1.675 -4.925 1.00 0.00 C ATOM 619 O LEU A 45 -11.543 -0.777 -4.912 1.00 0.00 O ATOM 620 CB LEU A 45 -9.400 -1.434 -2.791 1.00 0.00 C ATOM 621 CG LEU A 45 -8.264 -2.174 -2.064 1.00 0.00 C ATOM 622 CD1 LEU A 45 -8.480 -2.068 -0.549 1.00 0.00 C ATOM 623 CD2 LEU A 45 -8.222 -3.661 -2.438 1.00 0.00 C ATOM 0 H LEU A 45 -8.985 0.641 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.618 -2.187 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.426 -0.405 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.347 -1.894 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.324 -1.711 -2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.677 -2.591 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.480 -1.019 -0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.437 -2.519 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.406 -4.148 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.166 -4.132 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.064 -3.762 -3.512 1.00 0.00 H new ATOM 635 N VAL A 46 -10.953 -2.905 -5.386 1.00 0.00 N ATOM 636 CA VAL A 46 -12.257 -3.328 -5.934 1.00 0.00 C ATOM 637 C VAL A 46 -12.680 -4.701 -5.386 1.00 0.00 C ATOM 638 O VAL A 46 -11.880 -5.633 -5.364 1.00 0.00 O ATOM 639 CB VAL A 46 -12.230 -3.357 -7.485 1.00 0.00 C ATOM 640 CG1 VAL A 46 -13.607 -3.733 -8.064 1.00 0.00 C ATOM 641 CG2 VAL A 46 -11.806 -2.003 -8.089 1.00 0.00 C ATOM 0 H VAL A 46 -10.254 -3.648 -5.391 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.994 -2.592 -5.613 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.493 -4.113 -7.754 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.553 -3.744 -9.153 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.895 -4.721 -7.705 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.348 -3.000 -7.745 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.803 -2.075 -9.177 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.509 -1.230 -7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.806 -1.746 -7.739 1.00 0.00 H new ATOM 651 N LEU A 47 -13.943 -4.828 -4.969 1.00 0.00 N ATOM 652 CA LEU A 47 -14.620 -6.090 -4.646 1.00 0.00 C ATOM 653 C LEU A 47 -15.576 -6.468 -5.777 1.00 0.00 C ATOM 654 O LEU A 47 -16.406 -5.660 -6.205 1.00 0.00 O ATOM 655 CB LEU A 47 -15.463 -5.977 -3.365 1.00 0.00 C ATOM 656 CG LEU A 47 -14.705 -6.077 -2.037 1.00 0.00 C ATOM 657 CD1 LEU A 47 -15.698 -5.775 -0.908 1.00 0.00 C ATOM 658 CD2 LEU A 47 -14.093 -7.457 -1.772 1.00 0.00 C ATOM 0 H LEU A 47 -14.550 -4.018 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.841 -6.840 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.990 -5.023 -3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -16.221 -6.760 -3.385 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.879 -5.367 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -15.187 -5.839 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -16.103 -4.771 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -16.511 -6.500 -0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.574 -7.447 -0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.883 -8.207 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.386 -7.700 -2.565 1.00 0.00 H new ATOM 670 N HIS A 48 -15.500 -7.737 -6.159 1.00 0.00 N ATOM 671 CA HIS A 48 -16.366 -8.419 -7.120 1.00 0.00 C ATOM 672 C HIS A 48 -17.226 -9.488 -6.422 1.00 0.00 C ATOM 673 O HIS A 48 -16.686 -10.309 -5.674 1.00 0.00 O ATOM 674 CB HIS A 48 -15.469 -9.059 -8.188 1.00 0.00 C ATOM 675 CG HIS A 48 -14.608 -8.082 -8.946 1.00 0.00 C ATOM 676 ND1 HIS A 48 -15.065 -7.175 -9.904 1.00 0.00 N ATOM 677 CD2 HIS A 48 -13.253 -7.962 -8.827 1.00 0.00 C ATOM 678 CE1 HIS A 48 -13.969 -6.530 -10.338 1.00 0.00 C ATOM 679 NE2 HIS A 48 -12.867 -6.979 -9.712 1.00 0.00 N ATOM 0 H HIS A 48 -14.786 -8.360 -5.782 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.050 -7.705 -7.579 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.825 -9.797 -7.709 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -16.097 -9.597 -8.898 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.610 -8.527 -8.168 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -13.973 -5.754 -11.089 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.914 -6.650 -9.865 1.00 0.00 H new ATOM 687 N LEU A 49 -18.543 -9.483 -6.656 1.00 0.00 N ATOM 688 CA LEU A 49 -19.525 -10.399 -6.058 1.00 0.00 C ATOM 689 C LEU A 49 -20.442 -11.011 -7.137 1.00 0.00 C ATOM 690 O LEU A 49 -20.463 -10.561 -8.282 1.00 0.00 O ATOM 691 CB LEU A 49 -20.350 -9.651 -4.988 1.00 0.00 C ATOM 692 CG LEU A 49 -19.552 -9.159 -3.757 1.00 0.00 C ATOM 693 CD1 LEU A 49 -19.039 -7.716 -3.912 1.00 0.00 C ATOM 694 CD2 LEU A 49 -20.447 -9.202 -2.511 1.00 0.00 C ATOM 0 H LEU A 49 -18.973 -8.813 -7.294 1.00 0.00 H new ATOM 0 HA LEU A 49 -18.992 -11.221 -5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -20.827 -8.791 -5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -21.148 -10.309 -4.643 1.00 0.00 H new ATOM 0 HG LEU A 49 -18.693 -9.823 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -18.487 -7.428 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -18.381 -7.655 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -19.885 -7.042 -4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -19.883 -8.855 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -21.312 -8.557 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -20.782 -10.225 -2.339 1.00 0.00 H new ATOM 786 N ALA A 54 -20.559 -4.458 -7.781 1.00 0.00 N ATOM 787 CA ALA A 54 -19.161 -4.252 -7.393 1.00 0.00 C ATOM 788 C ALA A 54 -19.009 -3.058 -6.426 1.00 0.00 C ATOM 789 O ALA A 54 -19.771 -2.088 -6.495 1.00 0.00 O ATOM 790 CB ALA A 54 -18.320 -4.069 -8.664 1.00 0.00 C ATOM 0 HA ALA A 54 -18.803 -5.127 -6.850 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.276 -3.915 -8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -18.404 -4.959 -9.287 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.682 -3.203 -9.218 1.00 0.00 H new ATOM 796 N VAL A 55 -18.004 -3.115 -5.546 1.00 0.00 N ATOM 797 CA VAL A 55 -17.759 -2.089 -4.508 1.00 0.00 C ATOM 798 C VAL A 55 -16.305 -1.630 -4.556 1.00 0.00 C ATOM 799 O VAL A 55 -15.402 -2.460 -4.583 1.00 0.00 O ATOM 800 CB VAL A 55 -18.136 -2.568 -3.087 1.00 0.00 C ATOM 801 CG1 VAL A 55 -18.039 -1.405 -2.087 1.00 0.00 C ATOM 802 CG2 VAL A 55 -19.568 -3.122 -3.021 1.00 0.00 C ATOM 0 H VAL A 55 -17.328 -3.878 -5.528 1.00 0.00 H new ATOM 0 HA VAL A 55 -18.412 -1.246 -4.732 1.00 0.00 H new ATOM 0 HB VAL A 55 -17.433 -3.362 -2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -18.307 -1.758 -1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -17.019 -1.021 -2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -18.722 -0.610 -2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -19.786 -3.446 -2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -20.273 -2.344 -3.313 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -19.662 -3.970 -3.699 1.00 0.00 H new ATOM 812 N ARG A 56 -16.090 -0.312 -4.584 1.00 0.00 N ATOM 813 CA ARG A 56 -14.795 0.318 -4.867 1.00 0.00 C ATOM 814 C ARG A 56 -14.383 1.324 -3.781 1.00 0.00 C ATOM 815 O ARG A 56 -15.226 2.060 -3.258 1.00 0.00 O ATOM 816 CB ARG A 56 -14.863 1.032 -6.230 1.00 0.00 C ATOM 817 CG ARG A 56 -15.419 0.171 -7.381 1.00 0.00 C ATOM 818 CD ARG A 56 -15.480 0.950 -8.701 1.00 0.00 C ATOM 819 NE ARG A 56 -14.145 1.160 -9.287 1.00 0.00 N ATOM 820 CZ ARG A 56 -13.562 0.460 -10.251 1.00 0.00 C ATOM 821 NH1 ARG A 56 -14.121 -0.590 -10.816 1.00 0.00 N ATOM 822 NH2 ARG A 56 -12.375 0.844 -10.655 1.00 0.00 N ATOM 0 H ARG A 56 -16.831 0.366 -4.406 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.042 -0.470 -4.884 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -15.484 1.922 -6.128 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.862 1.370 -6.498 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.793 -0.712 -7.509 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -16.417 -0.181 -7.121 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.105 0.409 -9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -15.955 1.916 -8.529 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.604 1.936 -8.906 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.045 -0.899 -10.515 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.630 -1.094 -11.554 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.930 1.657 -10.230 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.897 0.329 -11.394 1.00 0.00 H new ATOM 836 N TRP A 57 -13.080 1.402 -3.490 1.00 0.00 N ATOM 837 CA TRP A 57 -12.488 2.357 -2.541 1.00 0.00 C ATOM 838 C TRP A 57 -11.152 2.922 -3.064 1.00 0.00 C ATOM 839 O TRP A 57 -10.197 2.143 -3.188 1.00 0.00 O ATOM 840 CB TRP A 57 -12.248 1.680 -1.184 1.00 0.00 C ATOM 841 CG TRP A 57 -13.473 1.261 -0.436 1.00 0.00 C ATOM 842 CD1 TRP A 57 -14.217 2.036 0.385 1.00 0.00 C ATOM 843 CD2 TRP A 57 -14.095 -0.054 -0.415 1.00 0.00 C ATOM 844 NE1 TRP A 57 -15.261 1.292 0.902 1.00 0.00 N ATOM 845 CE2 TRP A 57 -15.204 -0.019 0.485 1.00 0.00 C ATOM 846 CE3 TRP A 57 -13.814 -1.280 -1.051 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -15.957 -1.163 0.781 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -14.579 -2.424 -0.775 1.00 0.00 C ATOM 849 CH2 TRP A 57 -15.633 -2.375 0.152 1.00 0.00 C ATOM 0 H TRP A 57 -12.388 0.787 -3.918 1.00 0.00 H new ATOM 0 HA TRP A 57 -13.193 3.180 -2.427 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -11.625 0.800 -1.344 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -11.678 2.364 -0.555 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -14.025 3.076 0.603 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -15.984 1.667 1.516 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -13.001 -1.340 -1.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -16.776 -1.113 1.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -14.355 -3.352 -1.281 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.194 -3.269 0.381 1.00 0.00 H new ATOM 860 N PRO A 58 -11.038 4.245 -3.319 1.00 0.00 N ATOM 861 CA PRO A 58 -9.769 4.874 -3.670 1.00 0.00 C ATOM 862 C PRO A 58 -8.791 4.766 -2.504 1.00 0.00 C ATOM 863 O PRO A 58 -9.178 4.899 -1.345 1.00 0.00 O ATOM 864 CB PRO A 58 -10.090 6.338 -3.988 1.00 0.00 C ATOM 865 CG PRO A 58 -11.367 6.608 -3.200 1.00 0.00 C ATOM 866 CD PRO A 58 -12.083 5.260 -3.213 1.00 0.00 C ATOM 0 HA PRO A 58 -9.299 4.388 -4.525 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.282 7.001 -3.680 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.239 6.492 -5.057 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.150 6.938 -2.184 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.970 7.387 -3.666 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.669 5.122 -2.305 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.775 5.195 -4.052 1.00 0.00 H new ATOM 874 N TYR A 59 -7.508 4.564 -2.804 1.00 0.00 N ATOM 875 CA TYR A 59 -6.461 4.450 -1.782 1.00 0.00 C ATOM 876 C TYR A 59 -6.406 5.667 -0.838 1.00 0.00 C ATOM 877 O TYR A 59 -6.158 5.515 0.359 1.00 0.00 O ATOM 878 CB TYR A 59 -5.125 4.214 -2.500 1.00 0.00 C ATOM 879 CG TYR A 59 -5.021 2.849 -3.161 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.249 1.676 -2.411 1.00 0.00 C ATOM 881 CD2 TYR A 59 -4.721 2.748 -4.533 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.206 0.415 -3.028 1.00 0.00 C ATOM 883 CE2 TYR A 59 -4.666 1.487 -5.154 1.00 0.00 C ATOM 884 CZ TYR A 59 -4.922 0.315 -4.405 1.00 0.00 C ATOM 885 OH TYR A 59 -4.906 -0.907 -5.000 1.00 0.00 O ATOM 0 H TYR A 59 -7.163 4.475 -3.760 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.689 3.607 -1.130 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.988 4.986 -3.257 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.312 4.323 -1.782 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.458 1.748 -1.354 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.533 3.641 -5.110 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.390 -0.477 -2.448 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.428 1.414 -6.205 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.664 -0.808 -5.944 1.00 0.00 H new ATOM 895 N LEU A 60 -6.750 6.852 -1.358 1.00 0.00 N ATOM 896 CA LEU A 60 -6.849 8.122 -0.645 1.00 0.00 C ATOM 897 C LEU A 60 -7.795 8.052 0.567 1.00 0.00 C ATOM 898 O LEU A 60 -7.457 8.535 1.646 1.00 0.00 O ATOM 899 CB LEU A 60 -7.297 9.174 -1.679 1.00 0.00 C ATOM 900 CG LEU A 60 -6.646 10.548 -1.458 1.00 0.00 C ATOM 901 CD1 LEU A 60 -6.990 11.458 -2.638 1.00 0.00 C ATOM 902 CD2 LEU A 60 -7.069 11.204 -0.142 1.00 0.00 C ATOM 0 H LEU A 60 -6.979 6.951 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.883 8.391 -0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.052 8.819 -2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.381 9.280 -1.635 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.568 10.397 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.532 12.436 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.612 11.017 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.072 11.571 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.576 12.171 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.150 11.345 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.782 10.564 0.692 1.00 0.00 H new ATOM 914 N CYS A 61 -8.969 7.427 0.411 1.00 0.00 N ATOM 915 CA CYS A 61 -9.983 7.362 1.480 1.00 0.00 C ATOM 916 C CYS A 61 -9.665 6.367 2.618 1.00 0.00 C ATOM 917 O CYS A 61 -10.382 6.354 3.623 1.00 0.00 O ATOM 918 CB CYS A 61 -11.379 7.119 0.873 1.00 0.00 C ATOM 919 SG CYS A 61 -11.666 5.360 0.507 1.00 0.00 S ATOM 0 H CYS A 61 -9.245 6.955 -0.450 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.967 8.335 1.971 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.142 7.475 1.565 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.483 7.701 -0.042 1.00 0.00 H new ATOM 0 HG CYS A 61 -10.728 4.922 -0.279 1.00 0.00 H new ATOM 925 N LEU A 62 -8.617 5.543 2.481 1.00 0.00 N ATOM 926 CA LEU A 62 -8.241 4.520 3.461 1.00 0.00 C ATOM 927 C LEU A 62 -7.401 5.139 4.591 1.00 0.00 C ATOM 928 O LEU A 62 -6.237 5.497 4.388 1.00 0.00 O ATOM 929 CB LEU A 62 -7.500 3.360 2.765 1.00 0.00 C ATOM 930 CG LEU A 62 -8.259 2.676 1.609 1.00 0.00 C ATOM 931 CD1 LEU A 62 -7.374 1.577 1.006 1.00 0.00 C ATOM 932 CD2 LEU A 62 -9.596 2.070 2.062 1.00 0.00 C ATOM 0 H LEU A 62 -7.997 5.571 1.671 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.145 4.111 3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.553 3.738 2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.261 2.605 3.514 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.486 3.439 0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.905 1.090 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.452 2.019 0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.135 0.840 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.090 1.601 1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.414 1.322 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.235 2.857 2.464 1.00 0.00 H new ATOM 944 N ARG A 63 -7.984 5.253 5.790 1.00 0.00 N ATOM 945 CA ARG A 63 -7.336 5.868 6.963 1.00 0.00 C ATOM 946 C ARG A 63 -6.269 4.950 7.583 1.00 0.00 C ATOM 947 O ARG A 63 -5.199 5.419 7.978 1.00 0.00 O ATOM 948 CB ARG A 63 -8.415 6.243 7.990 1.00 0.00 C ATOM 949 CG ARG A 63 -7.865 7.056 9.171 1.00 0.00 C ATOM 950 CD ARG A 63 -8.986 7.418 10.151 1.00 0.00 C ATOM 951 NE ARG A 63 -8.453 8.119 11.333 1.00 0.00 N ATOM 952 CZ ARG A 63 -9.066 8.272 12.500 1.00 0.00 C ATOM 953 NH1 ARG A 63 -10.272 7.793 12.726 1.00 0.00 N ATOM 954 NH2 ARG A 63 -8.463 8.920 13.473 1.00 0.00 N ATOM 0 H ARG A 63 -8.929 4.919 5.979 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.812 6.768 6.640 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.197 6.818 7.493 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.880 5.333 8.368 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.096 6.481 9.687 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.390 7.965 8.803 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.721 8.049 9.651 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.505 6.512 10.465 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.522 8.526 11.245 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.765 7.285 11.991 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.713 7.930 13.636 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.528 9.302 13.329 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.930 9.040 14.372 1.00 0.00 H new ATOM 968 N ARG A 64 -6.541 3.641 7.609 1.00 0.00 N ATOM 969 CA ARG A 64 -5.597 2.580 7.977 1.00 0.00 C ATOM 970 C ARG A 64 -6.032 1.233 7.393 1.00 0.00 C ATOM 971 O ARG A 64 -7.193 1.046 7.016 1.00 0.00 O ATOM 972 CB ARG A 64 -5.356 2.513 9.505 1.00 0.00 C ATOM 973 CG ARG A 64 -6.325 1.597 10.279 1.00 0.00 C ATOM 974 CD ARG A 64 -6.117 1.683 11.796 1.00 0.00 C ATOM 975 NE ARG A 64 -6.621 2.952 12.331 1.00 0.00 N ATOM 976 CZ ARG A 64 -6.407 3.481 13.525 1.00 0.00 C ATOM 977 NH1 ARG A 64 -5.570 2.954 14.394 1.00 0.00 N ATOM 978 NH2 ARG A 64 -7.056 4.577 13.845 1.00 0.00 N ATOM 0 H ARG A 64 -7.462 3.277 7.364 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.633 2.829 7.534 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.337 2.170 9.682 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.429 3.521 9.913 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.352 1.872 10.039 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.186 0.566 9.953 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.627 0.852 12.283 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.056 1.584 12.026 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.212 3.496 11.703 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.057 2.105 14.157 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.435 3.395 15.304 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.705 4.998 13.180 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.911 5.007 14.758 1.00 0.00 H new ATOM 992 N TYR A 65 -5.100 0.288 7.364 1.00 0.00 N ATOM 993 CA TYR A 65 -5.269 -1.061 6.816 1.00 0.00 C ATOM 994 C TYR A 65 -4.325 -2.020 7.547 1.00 0.00 C ATOM 995 O TYR A 65 -3.205 -1.643 7.906 1.00 0.00 O ATOM 996 CB TYR A 65 -5.026 -1.062 5.295 1.00 0.00 C ATOM 997 CG TYR A 65 -3.663 -0.548 4.863 1.00 0.00 C ATOM 998 CD1 TYR A 65 -3.458 0.838 4.718 1.00 0.00 C ATOM 999 CD2 TYR A 65 -2.594 -1.439 4.639 1.00 0.00 C ATOM 1000 CE1 TYR A 65 -2.186 1.336 4.383 1.00 0.00 C ATOM 1001 CE2 TYR A 65 -1.319 -0.948 4.295 1.00 0.00 C ATOM 1002 CZ TYR A 65 -1.113 0.448 4.173 1.00 0.00 C ATOM 1003 OH TYR A 65 0.115 0.957 3.885 1.00 0.00 O ATOM 0 H TYR A 65 -4.163 0.443 7.737 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.293 -1.399 6.973 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.149 -2.079 4.923 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.795 -0.454 4.819 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.281 1.521 4.865 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.753 -2.503 4.732 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.032 2.401 4.287 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.502 -1.633 4.125 1.00 0.00 H new ATOM 0 HH TYR A 65 0.212 1.835 4.308 1.00 0.00 H new ATOM 1013 N GLY A 66 -4.797 -3.237 7.822 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.088 -4.202 8.662 1.00 0.00 C ATOM 1015 C GLY A 66 -4.505 -5.644 8.425 1.00 0.00 C ATOM 1016 O GLY A 66 -5.405 -5.932 7.634 1.00 0.00 O ATOM 0 H GLY A 66 -5.688 -3.582 7.465 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.017 -4.109 8.482 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.258 -3.952 9.709 1.00 0.00 H new ATOM 1020 N TYR A 67 -3.846 -6.548 9.141 1.00 0.00 N ATOM 1021 CA TYR A 67 -3.941 -7.993 8.930 1.00 0.00 C ATOM 1022 C TYR A 67 -3.887 -8.809 10.238 1.00 0.00 C ATOM 1023 O TYR A 67 -3.482 -8.315 11.296 1.00 0.00 O ATOM 1024 CB TYR A 67 -2.829 -8.416 7.952 1.00 0.00 C ATOM 1025 CG TYR A 67 -1.469 -8.624 8.595 1.00 0.00 C ATOM 1026 CD1 TYR A 67 -0.669 -7.522 8.956 1.00 0.00 C ATOM 1027 CD2 TYR A 67 -1.010 -9.931 8.852 1.00 0.00 C ATOM 1028 CE1 TYR A 67 0.597 -7.726 9.534 1.00 0.00 C ATOM 1029 CE2 TYR A 67 0.252 -10.141 9.437 1.00 0.00 C ATOM 1030 CZ TYR A 67 1.066 -9.036 9.774 1.00 0.00 C ATOM 1031 OH TYR A 67 2.295 -9.224 10.332 1.00 0.00 O ATOM 0 H TYR A 67 -3.216 -6.294 9.902 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.920 -8.212 8.505 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.129 -9.341 7.459 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.737 -7.656 7.176 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.029 -6.518 8.788 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.631 -10.777 8.598 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.212 -6.878 9.795 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.599 -11.146 9.628 1.00 0.00 H new ATOM 0 HH TYR A 67 2.466 -10.184 10.431 1.00 0.00 H new ATOM 1041 N ASP A 68 -4.254 -10.086 10.137 1.00 0.00 N ATOM 1042 CA ASP A 68 -4.177 -11.105 11.188 1.00 0.00 C ATOM 1043 C ASP A 68 -3.995 -12.505 10.549 1.00 0.00 C ATOM 1044 O ASP A 68 -3.772 -12.620 9.342 1.00 0.00 O ATOM 1045 CB ASP A 68 -5.422 -11.002 12.092 1.00 0.00 C ATOM 1046 CG ASP A 68 -5.112 -11.419 13.538 1.00 0.00 C ATOM 1047 OD1 ASP A 68 -4.996 -12.641 13.796 1.00 0.00 O ATOM 1048 OD2 ASP A 68 -4.967 -10.530 14.406 1.00 0.00 O ATOM 0 H ASP A 68 -4.636 -10.461 9.269 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.307 -10.939 11.824 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.796 -9.978 12.081 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.215 -11.635 11.693 1.00 0.00 H new ATOM 1053 N SER A 69 -4.095 -13.583 11.326 1.00 0.00 N ATOM 1054 CA SER A 69 -3.825 -14.956 10.862 1.00 0.00 C ATOM 1055 C SER A 69 -4.916 -15.538 9.930 1.00 0.00 C ATOM 1056 O SER A 69 -4.694 -16.559 9.275 1.00 0.00 O ATOM 1057 CB SER A 69 -3.621 -15.858 12.091 1.00 0.00 C ATOM 1058 OG SER A 69 -2.994 -17.090 11.753 1.00 0.00 O ATOM 0 H SER A 69 -4.368 -13.534 12.307 1.00 0.00 H new ATOM 0 HA SER A 69 -2.923 -14.919 10.251 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.014 -15.333 12.828 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.586 -16.059 12.557 1.00 0.00 H new ATOM 0 HG SER A 69 -3.216 -17.327 10.829 1.00 0.00 H new ATOM 1064 N ASN A 70 -6.086 -14.890 9.849 1.00 0.00 N ATOM 1065 CA ASN A 70 -7.245 -15.307 9.037 1.00 0.00 C ATOM 1066 C ASN A 70 -8.221 -14.159 8.686 1.00 0.00 C ATOM 1067 O ASN A 70 -9.289 -14.407 8.116 1.00 0.00 O ATOM 1068 CB ASN A 70 -7.982 -16.463 9.748 1.00 0.00 C ATOM 1069 CG ASN A 70 -8.714 -16.062 11.032 1.00 0.00 C ATOM 1070 OD1 ASN A 70 -8.483 -15.017 11.629 1.00 0.00 O ATOM 1071 ND2 ASN A 70 -9.634 -16.889 11.497 1.00 0.00 N ATOM 0 H ASN A 70 -6.261 -14.028 10.365 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.851 -15.645 8.079 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.703 -16.897 9.055 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.260 -17.244 9.986 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.146 -16.656 12.348 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.832 -17.761 11.005 1.00 0.00 H new ATOM 1078 N LEU A 71 -7.884 -12.908 9.029 1.00 0.00 N ATOM 1079 CA LEU A 71 -8.767 -11.744 8.993 1.00 0.00 C ATOM 1080 C LEU A 71 -8.041 -10.539 8.380 1.00 0.00 C ATOM 1081 O LEU A 71 -6.902 -10.234 8.740 1.00 0.00 O ATOM 1082 CB LEU A 71 -9.234 -11.499 10.450 1.00 0.00 C ATOM 1083 CG LEU A 71 -10.483 -10.631 10.695 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -10.228 -9.129 10.539 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -11.646 -11.074 9.803 1.00 0.00 C ATOM 0 H LEU A 71 -6.946 -12.674 9.353 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.638 -11.909 8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.414 -12.472 10.906 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.404 -11.043 10.990 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.752 -10.789 11.739 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.152 -8.582 10.726 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.468 -8.813 11.253 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.882 -8.922 9.526 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.514 -10.444 9.997 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.357 -10.981 8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.896 -12.113 10.020 1.00 0.00 H new ATOM 1097 N PHE A 72 -8.715 -9.865 7.450 1.00 0.00 N ATOM 1098 CA PHE A 72 -8.286 -8.637 6.788 1.00 0.00 C ATOM 1099 C PHE A 72 -9.357 -7.548 6.967 1.00 0.00 C ATOM 1100 O PHE A 72 -10.550 -7.828 6.930 1.00 0.00 O ATOM 1101 CB PHE A 72 -8.043 -8.938 5.301 1.00 0.00 C ATOM 1102 CG PHE A 72 -7.765 -7.686 4.501 1.00 0.00 C ATOM 1103 CD1 PHE A 72 -6.556 -6.990 4.688 1.00 0.00 C ATOM 1104 CD2 PHE A 72 -8.768 -7.147 3.673 1.00 0.00 C ATOM 1105 CE1 PHE A 72 -6.371 -5.732 4.088 1.00 0.00 C ATOM 1106 CE2 PHE A 72 -8.574 -5.899 3.063 1.00 0.00 C ATOM 1107 CZ PHE A 72 -7.389 -5.181 3.289 1.00 0.00 C ATOM 0 H PHE A 72 -9.627 -10.180 7.120 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.360 -8.271 7.231 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.201 -9.623 5.204 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -8.915 -9.445 4.888 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.771 -7.422 5.292 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.685 -7.693 3.508 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.449 -5.190 4.240 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.338 -5.490 2.418 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.259 -4.204 2.848 1.00 0.00 H new ATOM 1117 N SER A 73 -8.953 -6.296 7.163 1.00 0.00 N ATOM 1118 CA SER A 73 -9.846 -5.161 7.400 1.00 0.00 C ATOM 1119 C SER A 73 -9.195 -3.813 7.038 1.00 0.00 C ATOM 1120 O SER A 73 -7.964 -3.694 6.965 1.00 0.00 O ATOM 1121 CB SER A 73 -10.284 -5.187 8.868 1.00 0.00 C ATOM 1122 OG SER A 73 -11.329 -4.264 9.093 1.00 0.00 O ATOM 0 H SER A 73 -7.967 -6.033 7.162 1.00 0.00 H new ATOM 0 HA SER A 73 -10.714 -5.257 6.748 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.614 -6.190 9.137 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.436 -4.948 9.510 1.00 0.00 H new ATOM 0 HG SER A 73 -11.940 -4.269 8.327 1.00 0.00 H new ATOM 1128 N PHE A 74 -10.026 -2.782 6.846 1.00 0.00 N ATOM 1129 CA PHE A 74 -9.620 -1.407 6.541 1.00 0.00 C ATOM 1130 C PHE A 74 -10.631 -0.373 7.078 1.00 0.00 C ATOM 1131 O PHE A 74 -11.834 -0.636 7.158 1.00 0.00 O ATOM 1132 CB PHE A 74 -9.375 -1.263 5.027 1.00 0.00 C ATOM 1133 CG PHE A 74 -10.551 -1.626 4.131 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -11.495 -0.645 3.771 1.00 0.00 C ATOM 1135 CD2 PHE A 74 -10.691 -2.941 3.640 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -12.567 -0.978 2.926 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -11.764 -3.276 2.789 1.00 0.00 C ATOM 1138 CZ PHE A 74 -12.703 -2.291 2.441 1.00 0.00 C ATOM 0 H PHE A 74 -11.039 -2.888 6.901 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.684 -1.196 7.058 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.089 -0.232 4.820 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.526 -1.890 4.754 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.395 0.363 4.144 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.971 -3.697 3.918 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.288 -0.224 2.648 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.863 -4.282 2.408 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.533 -2.543 1.798 1.00 0.00 H new ATOM 1148 N GLU A 75 -10.130 0.816 7.436 1.00 0.00 N ATOM 1149 CA GLU A 75 -10.933 1.994 7.795 1.00 0.00 C ATOM 1150 C GLU A 75 -11.135 2.872 6.554 1.00 0.00 C ATOM 1151 O GLU A 75 -10.185 3.119 5.810 1.00 0.00 O ATOM 1152 CB GLU A 75 -10.202 2.871 8.830 1.00 0.00 C ATOM 1153 CG GLU A 75 -10.298 2.416 10.288 1.00 0.00 C ATOM 1154 CD GLU A 75 -9.636 3.411 11.254 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -8.667 4.104 10.868 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -10.071 3.497 12.424 1.00 0.00 O ATOM 0 H GLU A 75 -9.126 0.991 7.486 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.878 1.632 8.201 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.148 2.920 8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.597 3.885 8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.346 2.292 10.559 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.824 1.440 10.394 1.00 0.00 H new ATOM 1163 N SER A 76 -12.333 3.424 6.368 1.00 0.00 N ATOM 1164 CA SER A 76 -12.637 4.340 5.256 1.00 0.00 C ATOM 1165 C SER A 76 -13.583 5.486 5.665 1.00 0.00 C ATOM 1166 O SER A 76 -14.412 5.342 6.572 1.00 0.00 O ATOM 1167 CB SER A 76 -13.176 3.555 4.048 1.00 0.00 C ATOM 1168 OG SER A 76 -14.360 2.836 4.356 1.00 0.00 O ATOM 0 H SER A 76 -13.127 3.251 6.984 1.00 0.00 H new ATOM 0 HA SER A 76 -11.702 4.820 4.966 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.376 4.246 3.229 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.412 2.860 3.699 1.00 0.00 H new ATOM 0 HG SER A 76 -14.667 2.354 3.560 1.00 0.00 H new ATOM 1174 N GLY A 77 -13.421 6.651 5.021 1.00 0.00 N ATOM 1175 CA GLY A 77 -14.174 7.885 5.301 1.00 0.00 C ATOM 1176 C GLY A 77 -15.439 8.049 4.452 1.00 0.00 C ATOM 1177 O GLY A 77 -15.678 7.301 3.504 1.00 0.00 O ATOM 0 H GLY A 77 -12.742 6.765 4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.452 7.898 6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.522 8.742 5.133 1.00 0.00 H new ATOM 1181 N ARG A 78 -16.249 9.071 4.765 1.00 0.00 N ATOM 1182 CA ARG A 78 -17.568 9.315 4.144 1.00 0.00 C ATOM 1183 C ARG A 78 -17.534 9.644 2.636 1.00 0.00 C ATOM 1184 O ARG A 78 -18.568 9.572 1.970 1.00 0.00 O ATOM 1185 CB ARG A 78 -18.391 10.282 5.016 1.00 0.00 C ATOM 1186 CG ARG A 78 -18.083 11.765 4.790 1.00 0.00 C ATOM 1187 CD ARG A 78 -19.021 12.372 3.743 1.00 0.00 C ATOM 1188 NE ARG A 78 -20.343 12.705 4.311 1.00 0.00 N ATOM 1189 CZ ARG A 78 -21.537 12.379 3.821 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -21.682 11.685 2.710 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -22.623 12.753 4.461 1.00 0.00 N ATOM 0 H ARG A 78 -16.005 9.767 5.470 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.102 8.365 4.131 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.450 10.111 4.824 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.215 10.044 6.065 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -18.183 12.307 5.730 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -17.049 11.879 4.465 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -18.567 13.272 3.328 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -19.147 11.670 2.919 1.00 0.00 H new ATOM 0 HE ARG A 78 -20.341 13.246 5.176 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -20.860 11.376 2.191 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -22.616 11.457 2.370 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -22.546 13.289 5.326 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -23.542 12.508 4.093 1.00 0.00 H new ATOM 1205 N ARG A 79 -16.353 9.957 2.089 1.00 0.00 N ATOM 1206 CA ARG A 79 -16.119 10.316 0.679 1.00 0.00 C ATOM 1207 C ARG A 79 -16.210 9.152 -0.331 1.00 0.00 C ATOM 1208 O ARG A 79 -16.316 9.399 -1.533 1.00 0.00 O ATOM 1209 CB ARG A 79 -14.768 11.041 0.565 1.00 0.00 C ATOM 1210 CG ARG A 79 -13.550 10.151 0.877 1.00 0.00 C ATOM 1211 CD ARG A 79 -12.256 10.965 0.984 1.00 0.00 C ATOM 1212 NE ARG A 79 -11.839 11.533 -0.313 1.00 0.00 N ATOM 1213 CZ ARG A 79 -10.923 12.478 -0.498 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -10.264 13.021 0.505 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -10.652 12.897 -1.715 1.00 0.00 N ATOM 0 H ARG A 79 -15.494 9.968 2.639 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.942 10.971 0.395 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.665 11.439 -0.445 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.766 11.893 1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.721 9.618 1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.441 9.399 0.096 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.396 11.772 1.703 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.461 10.328 1.371 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.297 11.165 -1.147 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.450 12.718 1.461 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.567 13.744 0.326 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.144 12.497 -2.514 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.950 13.622 -1.860 1.00 0.00 H new ATOM 1229 N CYS A 80 -16.142 7.898 0.132 1.00 0.00 N ATOM 1230 CA CYS A 80 -16.156 6.695 -0.719 1.00 0.00 C ATOM 1231 C CYS A 80 -17.579 6.231 -1.119 1.00 0.00 C ATOM 1232 O CYS A 80 -18.579 6.850 -0.747 1.00 0.00 O ATOM 1233 CB CYS A 80 -15.332 5.600 -0.017 1.00 0.00 C ATOM 1234 SG CYS A 80 -16.231 4.929 1.409 1.00 0.00 S ATOM 0 H CYS A 80 -16.074 7.684 1.127 1.00 0.00 H new ATOM 0 HA CYS A 80 -15.694 6.935 -1.677 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -15.109 4.799 -0.722 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -14.377 6.011 0.310 1.00 0.00 H new ATOM 0 HG CYS A 80 -16.136 5.754 2.409 1.00 0.00 H new ATOM 1240 N GLN A 81 -17.669 5.127 -1.873 1.00 0.00 N ATOM 1241 CA GLN A 81 -18.925 4.543 -2.373 1.00 0.00 C ATOM 1242 C GLN A 81 -19.888 4.130 -1.246 1.00 0.00 C ATOM 1243 O GLN A 81 -21.098 4.343 -1.358 1.00 0.00 O ATOM 1244 CB GLN A 81 -18.567 3.332 -3.260 1.00 0.00 C ATOM 1245 CG GLN A 81 -19.789 2.538 -3.764 1.00 0.00 C ATOM 1246 CD GLN A 81 -19.441 1.435 -4.771 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -18.344 1.354 -5.306 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -20.349 0.524 -5.054 1.00 0.00 N ATOM 0 H GLN A 81 -16.846 4.598 -2.162 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.456 5.302 -2.948 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.994 3.681 -4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -17.919 2.661 -2.696 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.296 2.090 -2.910 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.494 3.229 -4.226 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.271 0.571 -4.620 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.130 -0.228 -5.707 1.00 0.00 H new ATOM 1257 N THR A 82 -19.355 3.534 -0.175 1.00 0.00 N ATOM 1258 CA THR A 82 -20.123 2.930 0.929 1.00 0.00 C ATOM 1259 C THR A 82 -20.413 3.890 2.076 1.00 0.00 C ATOM 1260 O THR A 82 -21.338 3.659 2.857 1.00 0.00 O ATOM 1261 CB THR A 82 -19.366 1.715 1.468 1.00 0.00 C ATOM 1262 OG1 THR A 82 -18.034 2.072 1.786 1.00 0.00 O ATOM 1263 CG2 THR A 82 -19.323 0.613 0.416 1.00 0.00 C ATOM 0 H THR A 82 -18.347 3.454 -0.044 1.00 0.00 H new ATOM 0 HA THR A 82 -21.088 2.643 0.512 1.00 0.00 H new ATOM 0 HB THR A 82 -19.884 1.362 2.360 1.00 0.00 H new ATOM 0 HG1 THR A 82 -17.725 1.537 2.547 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.782 -0.246 0.811 1.00 0.00 H new ATOM 0 HG22 THR A 82 -20.340 0.315 0.160 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.817 0.981 -0.476 1.00 0.00 H new ATOM 1271 N GLY A 83 -19.621 4.955 2.176 1.00 0.00 N ATOM 1272 CA GLY A 83 -19.602 5.888 3.304 1.00 0.00 C ATOM 1273 C GLY A 83 -18.677 5.417 4.432 1.00 0.00 C ATOM 1274 O GLY A 83 -18.000 4.394 4.323 1.00 0.00 O ATOM 0 H GLY A 83 -18.950 5.202 1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -19.277 6.869 2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -20.614 6.006 3.692 1.00 0.00 H new ATOM 1278 N GLN A 84 -18.643 6.192 5.516 1.00 0.00 N ATOM 1279 CA GLN A 84 -17.743 5.977 6.654 1.00 0.00 C ATOM 1280 C GLN A 84 -18.028 4.661 7.399 1.00 0.00 C ATOM 1281 O GLN A 84 -19.186 4.319 7.661 1.00 0.00 O ATOM 1282 CB GLN A 84 -17.777 7.189 7.606 1.00 0.00 C ATOM 1283 CG GLN A 84 -19.178 7.556 8.144 1.00 0.00 C ATOM 1284 CD GLN A 84 -19.194 8.772 9.078 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -18.187 9.409 9.369 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -20.350 9.154 9.583 1.00 0.00 N ATOM 0 H GLN A 84 -19.251 7.003 5.632 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.734 5.882 6.253 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -17.121 6.986 8.452 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -17.366 8.054 7.084 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -19.839 7.752 7.300 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -19.587 6.697 8.677 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -21.201 8.640 9.355 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -20.394 9.964 10.202 1.00 0.00 H new ATOM 1295 N GLY A 85 -16.966 3.934 7.765 1.00 0.00 N ATOM 1296 CA GLY A 85 -17.044 2.690 8.525 1.00 0.00 C ATOM 1297 C GLY A 85 -15.793 1.823 8.403 1.00 0.00 C ATOM 1298 O GLY A 85 -14.814 2.169 7.736 1.00 0.00 O ATOM 0 H GLY A 85 -16.010 4.204 7.534 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.212 2.925 9.576 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.907 2.119 8.184 1.00 0.00 H new ATOM 1302 N ILE A 86 -15.850 0.672 9.071 1.00 0.00 N ATOM 1303 CA ILE A 86 -14.860 -0.408 8.998 1.00 0.00 C ATOM 1304 C ILE A 86 -15.541 -1.665 8.458 1.00 0.00 C ATOM 1305 O ILE A 86 -16.620 -2.037 8.936 1.00 0.00 O ATOM 1306 CB ILE A 86 -14.252 -0.664 10.396 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -13.486 0.581 10.877 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -13.302 -1.877 10.385 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -13.210 0.565 12.379 1.00 0.00 C ATOM 0 H ILE A 86 -16.619 0.455 9.705 1.00 0.00 H new ATOM 0 HA ILE A 86 -14.048 -0.127 8.327 1.00 0.00 H new ATOM 0 HB ILE A 86 -15.074 -0.878 11.079 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.540 0.650 10.340 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -14.060 1.473 10.628 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -12.893 -2.028 11.384 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.852 -2.767 10.080 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.488 -1.695 9.683 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.667 1.468 12.659 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.154 0.526 12.922 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.611 -0.310 12.630 1.00 0.00 H new ATOM 1321 N PHE A 87 -14.887 -2.323 7.498 1.00 0.00 N ATOM 1322 CA PHE A 87 -15.382 -3.519 6.813 1.00 0.00 C ATOM 1323 C PHE A 87 -14.314 -4.623 6.874 1.00 0.00 C ATOM 1324 O PHE A 87 -13.174 -4.407 6.457 1.00 0.00 O ATOM 1325 CB PHE A 87 -15.749 -3.155 5.361 1.00 0.00 C ATOM 1326 CG PHE A 87 -16.636 -1.927 5.216 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -17.949 -1.933 5.726 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.138 -0.762 4.601 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.756 -0.784 5.629 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -16.945 0.385 4.501 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.252 0.376 5.014 1.00 0.00 C ATOM 0 H PHE A 87 -13.969 -2.028 7.165 1.00 0.00 H new ATOM 0 HA PHE A 87 -16.279 -3.897 7.304 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.830 -2.990 4.799 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -16.254 -4.006 4.904 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -18.339 -2.825 6.194 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.133 -0.750 4.205 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -19.760 -0.793 6.026 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.558 1.276 4.028 1.00 0.00 H new ATOM 0 HZ PHE A 87 -18.869 1.259 4.936 1.00 0.00 H new ATOM 1341 N ALA A 88 -14.683 -5.800 7.397 1.00 0.00 N ATOM 1342 CA ALA A 88 -13.759 -6.905 7.666 1.00 0.00 C ATOM 1343 C ALA A 88 -14.131 -8.191 6.914 1.00 0.00 C ATOM 1344 O ALA A 88 -15.310 -8.531 6.736 1.00 0.00 O ATOM 1345 CB ALA A 88 -13.683 -7.141 9.176 1.00 0.00 C ATOM 0 H ALA A 88 -15.648 -6.012 7.648 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.776 -6.621 7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.997 -7.962 9.382 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.325 -6.237 9.668 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.674 -7.392 9.555 1.00 0.00 H new ATOM 1351 N PHE A 89 -13.094 -8.912 6.486 1.00 0.00 N ATOM 1352 CA PHE A 89 -13.195 -10.040 5.574 1.00 0.00 C ATOM 1353 C PHE A 89 -12.273 -11.183 5.998 1.00 0.00 C ATOM 1354 O PHE A 89 -11.072 -11.002 6.194 1.00 0.00 O ATOM 1355 CB PHE A 89 -12.862 -9.586 4.140 1.00 0.00 C ATOM 1356 CG PHE A 89 -13.659 -8.405 3.611 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -13.302 -7.090 3.972 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -14.752 -8.613 2.748 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -14.062 -6.000 3.516 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -15.498 -7.519 2.275 1.00 0.00 C ATOM 1361 CZ PHE A 89 -15.162 -6.213 2.671 1.00 0.00 C ATOM 0 H PHE A 89 -12.135 -8.718 6.776 1.00 0.00 H new ATOM 0 HA PHE A 89 -14.219 -10.412 5.604 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.803 -9.332 4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -13.014 -10.431 3.468 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -12.441 -6.920 4.601 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -15.018 -9.616 2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -13.799 -4.996 3.816 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -16.330 -7.682 1.606 1.00 0.00 H new ATOM 0 HZ PHE A 89 -15.749 -5.375 2.326 1.00 0.00 H new ATOM 1371 N LYS A 90 -12.833 -12.388 6.101 1.00 0.00 N ATOM 1372 CA LYS A 90 -12.056 -13.614 6.277 1.00 0.00 C ATOM 1373 C LYS A 90 -11.278 -13.952 4.995 1.00 0.00 C ATOM 1374 O LYS A 90 -11.818 -13.851 3.888 1.00 0.00 O ATOM 1375 CB LYS A 90 -12.993 -14.754 6.716 1.00 0.00 C ATOM 1376 CG LYS A 90 -13.094 -14.791 8.248 1.00 0.00 C ATOM 1377 CD LYS A 90 -13.901 -16.011 8.718 1.00 0.00 C ATOM 1378 CE LYS A 90 -14.165 -15.982 10.232 1.00 0.00 C ATOM 1379 NZ LYS A 90 -12.946 -16.254 11.038 1.00 0.00 N ATOM 0 H LYS A 90 -13.841 -12.541 6.065 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.313 -13.471 7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.982 -14.610 6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.617 -15.708 6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.094 -14.823 8.681 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.568 -13.877 8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.851 -16.043 8.185 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.361 -16.923 8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -14.566 -15.006 10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.928 -16.721 10.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.184 -16.222 12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.575 -17.196 10.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.224 -15.535 10.829 1.00 0.00 H new ATOM 1393 N CYS A 91 -10.008 -14.337 5.154 1.00 0.00 N ATOM 1394 CA CYS A 91 -9.057 -14.590 4.065 1.00 0.00 C ATOM 1395 C CYS A 91 -7.847 -15.395 4.567 1.00 0.00 C ATOM 1396 O CYS A 91 -7.307 -15.110 5.634 1.00 0.00 O ATOM 1397 CB CYS A 91 -8.617 -13.235 3.481 1.00 0.00 C ATOM 1398 SG CYS A 91 -7.697 -13.504 1.938 1.00 0.00 S ATOM 0 H CYS A 91 -9.599 -14.487 6.076 1.00 0.00 H new ATOM 0 HA CYS A 91 -9.536 -15.186 3.288 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -9.489 -12.609 3.291 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -7.993 -12.703 4.200 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.517 -13.888 1.005 1.00 0.00 H new ATOM 1404 N SER A 92 -7.382 -16.364 3.780 1.00 0.00 N ATOM 1405 CA SER A 92 -6.205 -17.193 4.111 1.00 0.00 C ATOM 1406 C SER A 92 -4.860 -16.444 3.946 1.00 0.00 C ATOM 1407 O SER A 92 -3.813 -16.914 4.402 1.00 0.00 O ATOM 1408 CB SER A 92 -6.246 -18.462 3.240 1.00 0.00 C ATOM 1409 OG SER A 92 -5.412 -19.492 3.752 1.00 0.00 O ATOM 0 H SER A 92 -7.809 -16.604 2.886 1.00 0.00 H new ATOM 0 HA SER A 92 -6.258 -17.453 5.168 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.272 -18.825 3.178 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.933 -18.214 2.226 1.00 0.00 H new ATOM 0 HG SER A 92 -4.591 -19.098 4.115 1.00 0.00 H new ATOM 1415 N ARG A 93 -4.885 -15.256 3.318 1.00 0.00 N ATOM 1416 CA ARG A 93 -3.711 -14.492 2.866 1.00 0.00 C ATOM 1417 C ARG A 93 -3.805 -12.984 3.152 1.00 0.00 C ATOM 1418 O ARG A 93 -3.272 -12.161 2.406 1.00 0.00 O ATOM 1419 CB ARG A 93 -3.432 -14.838 1.393 1.00 0.00 C ATOM 1420 CG ARG A 93 -4.650 -14.815 0.465 1.00 0.00 C ATOM 1421 CD ARG A 93 -4.263 -15.323 -0.930 1.00 0.00 C ATOM 1422 NE ARG A 93 -4.172 -16.790 -0.978 1.00 0.00 N ATOM 1423 CZ ARG A 93 -3.124 -17.587 -0.801 1.00 0.00 C ATOM 1424 NH1 ARG A 93 -1.899 -17.136 -0.635 1.00 0.00 N ATOM 1425 NH2 ARG A 93 -3.321 -18.887 -0.801 1.00 0.00 N ATOM 0 H ARG A 93 -5.762 -14.782 3.103 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.847 -14.794 3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -2.691 -14.137 1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.984 -15.831 1.350 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.444 -15.437 0.879 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -5.044 -13.801 0.395 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -5.000 -14.982 -1.657 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.305 -14.891 -1.220 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.049 -17.270 -1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.720 -16.132 -0.639 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.128 -17.791 -0.503 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.261 -19.260 -0.935 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.534 -19.522 -0.667 1.00 0.00 H new ATOM 1439 N ALA A 94 -4.431 -12.618 4.274 1.00 0.00 N ATOM 1440 CA ALA A 94 -4.507 -11.244 4.785 1.00 0.00 C ATOM 1441 C ALA A 94 -3.139 -10.530 4.849 1.00 0.00 C ATOM 1442 O ALA A 94 -3.054 -9.352 4.510 1.00 0.00 O ATOM 1443 CB ALA A 94 -5.171 -11.297 6.167 1.00 0.00 C ATOM 0 H ALA A 94 -4.914 -13.289 4.871 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.098 -10.649 4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.243 -10.289 6.575 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.170 -11.723 6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.573 -11.917 6.835 1.00 0.00 H new ATOM 1449 N GLU A 95 -2.067 -11.244 5.212 1.00 0.00 N ATOM 1450 CA GLU A 95 -0.697 -10.718 5.244 1.00 0.00 C ATOM 1451 C GLU A 95 -0.138 -10.403 3.847 1.00 0.00 C ATOM 1452 O GLU A 95 0.550 -9.400 3.675 1.00 0.00 O ATOM 1453 CB GLU A 95 0.200 -11.730 5.968 1.00 0.00 C ATOM 1454 CG GLU A 95 1.637 -11.226 6.142 1.00 0.00 C ATOM 1455 CD GLU A 95 2.469 -12.160 7.039 1.00 0.00 C ATOM 1456 OE1 GLU A 95 2.538 -13.380 6.755 1.00 0.00 O ATOM 1457 OE2 GLU A 95 3.086 -11.679 8.018 1.00 0.00 O ATOM 0 H GLU A 95 -2.128 -12.221 5.497 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.715 -9.769 5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.225 -11.951 6.947 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.212 -12.665 5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.113 -11.142 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.621 -10.226 6.575 1.00 0.00 H new ATOM 1464 N GLU A 96 -0.447 -11.215 2.833 1.00 0.00 N ATOM 1465 CA GLU A 96 -0.045 -10.944 1.446 1.00 0.00 C ATOM 1466 C GLU A 96 -0.778 -9.714 0.893 1.00 0.00 C ATOM 1467 O GLU A 96 -0.169 -8.896 0.203 1.00 0.00 O ATOM 1468 CB GLU A 96 -0.309 -12.151 0.533 1.00 0.00 C ATOM 1469 CG GLU A 96 0.495 -13.408 0.894 1.00 0.00 C ATOM 1470 CD GLU A 96 1.994 -13.238 0.604 1.00 0.00 C ATOM 1471 OE1 GLU A 96 2.404 -13.386 -0.572 1.00 0.00 O ATOM 1472 OE2 GLU A 96 2.776 -12.980 1.549 1.00 0.00 O ATOM 0 H GLU A 96 -0.981 -12.077 2.947 1.00 0.00 H new ATOM 0 HA GLU A 96 1.027 -10.748 1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.371 -12.392 0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.079 -11.871 -0.495 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.354 -13.637 1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.111 -14.258 0.330 1.00 0.00 H new ATOM 1479 N ILE A 97 -2.059 -9.534 1.244 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.819 -8.312 0.923 1.00 0.00 C ATOM 1481 C ILE A 97 -2.178 -7.097 1.608 1.00 0.00 C ATOM 1482 O ILE A 97 -1.933 -6.086 0.949 1.00 0.00 O ATOM 1483 CB ILE A 97 -4.316 -8.465 1.297 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -4.977 -9.647 0.549 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -5.071 -7.159 0.977 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -6.353 -10.038 1.106 1.00 0.00 C ATOM 0 H ILE A 97 -2.600 -10.229 1.758 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.780 -8.150 -0.154 1.00 0.00 H new ATOM 0 HB ILE A 97 -4.372 -8.673 2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.082 -9.386 -0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.316 -10.512 0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.122 -7.272 1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.639 -6.339 1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.986 -6.941 -0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.754 -10.873 0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.253 -10.331 2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.031 -9.188 1.031 1.00 0.00 H new ATOM 1498 N PHE A 98 -1.836 -7.204 2.897 1.00 0.00 N ATOM 1499 CA PHE A 98 -1.172 -6.147 3.666 1.00 0.00 C ATOM 1500 C PHE A 98 0.206 -5.768 3.081 1.00 0.00 C ATOM 1501 O PHE A 98 0.551 -4.583 3.027 1.00 0.00 O ATOM 1502 CB PHE A 98 -1.115 -6.590 5.135 1.00 0.00 C ATOM 1503 CG PHE A 98 0.090 -6.136 5.927 1.00 0.00 C ATOM 1504 CD1 PHE A 98 0.129 -4.857 6.513 1.00 0.00 C ATOM 1505 CD2 PHE A 98 1.167 -7.024 6.110 1.00 0.00 C ATOM 1506 CE1 PHE A 98 1.237 -4.481 7.291 1.00 0.00 C ATOM 1507 CE2 PHE A 98 2.276 -6.643 6.877 1.00 0.00 C ATOM 1508 CZ PHE A 98 2.309 -5.374 7.474 1.00 0.00 C ATOM 0 H PHE A 98 -2.017 -8.045 3.445 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.748 -5.224 3.601 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.011 -6.225 5.637 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.153 -7.679 5.165 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.689 -4.168 6.365 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.138 -8.004 5.657 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.266 -3.504 7.750 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.103 -7.325 7.008 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.158 -5.082 8.075 1.00 0.00 H new ATOM 1518 N ASN A 99 0.974 -6.748 2.592 1.00 0.00 N ATOM 1519 CA ASN A 99 2.269 -6.533 1.935 1.00 0.00 C ATOM 1520 C ASN A 99 2.149 -5.909 0.533 1.00 0.00 C ATOM 1521 O ASN A 99 3.058 -5.188 0.118 1.00 0.00 O ATOM 1522 CB ASN A 99 3.049 -7.857 1.860 1.00 0.00 C ATOM 1523 CG ASN A 99 3.863 -8.113 3.122 1.00 0.00 C ATOM 1524 OD1 ASN A 99 4.999 -7.671 3.250 1.00 0.00 O ATOM 1525 ND2 ASN A 99 3.317 -8.827 4.085 1.00 0.00 N ATOM 0 H ASN A 99 0.708 -7.731 2.643 1.00 0.00 H new ATOM 0 HA ASN A 99 2.811 -5.813 2.548 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.352 -8.680 1.705 1.00 0.00 H new ATOM 0 HB3 ASN A 99 3.715 -7.837 0.997 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.840 -9.014 4.941 1.00 0.00 H new ATOM 0 HD22 ASN A 99 2.371 -9.193 3.975 1.00 0.00 H new ATOM 1532 N LEU A 100 1.043 -6.137 -0.189 1.00 0.00 N ATOM 1533 CA LEU A 100 0.823 -5.571 -1.524 1.00 0.00 C ATOM 1534 C LEU A 100 0.217 -4.162 -1.424 1.00 0.00 C ATOM 1535 O LEU A 100 0.692 -3.252 -2.101 1.00 0.00 O ATOM 1536 CB LEU A 100 -0.027 -6.564 -2.344 1.00 0.00 C ATOM 1537 CG LEU A 100 0.235 -6.546 -3.866 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.600 -7.645 -4.534 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.073 -5.208 -4.544 1.00 0.00 C ATOM 0 H LEU A 100 0.274 -6.721 0.139 1.00 0.00 H new ATOM 0 HA LEU A 100 1.768 -5.437 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.157 -7.571 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.081 -6.347 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 100 1.304 -6.716 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.419 -7.637 -5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.318 -8.615 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.658 -7.465 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.139 -5.283 -5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.125 -4.960 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.547 -4.426 -4.105 1.00 0.00 H new ATOM 1551 N LEU A 101 -0.749 -3.942 -0.521 1.00 0.00 N ATOM 1552 CA LEU A 101 -1.391 -2.638 -0.295 1.00 0.00 C ATOM 1553 C LEU A 101 -0.381 -1.516 -0.088 1.00 0.00 C ATOM 1554 O LEU A 101 -0.415 -0.525 -0.808 1.00 0.00 O ATOM 1555 CB LEU A 101 -2.323 -2.706 0.931 1.00 0.00 C ATOM 1556 CG LEU A 101 -3.723 -3.247 0.623 1.00 0.00 C ATOM 1557 CD1 LEU A 101 -4.507 -3.389 1.928 1.00 0.00 C ATOM 1558 CD2 LEU A 101 -4.486 -2.315 -0.328 1.00 0.00 C ATOM 0 H LEU A 101 -1.113 -4.678 0.084 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.964 -2.413 -1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.861 -3.336 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.417 -1.708 1.359 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.615 -4.217 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.504 -3.774 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.987 -4.079 2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.590 -2.415 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -5.475 -2.728 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.588 -1.332 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.937 -2.223 -1.265 1.00 0.00 H new ATOM 1570 N GLN A 102 0.528 -1.687 0.867 1.00 0.00 N ATOM 1571 CA GLN A 102 1.543 -0.681 1.203 1.00 0.00 C ATOM 1572 C GLN A 102 2.470 -0.316 0.030 1.00 0.00 C ATOM 1573 O GLN A 102 3.023 0.782 0.015 1.00 0.00 O ATOM 1574 CB GLN A 102 2.342 -1.142 2.433 1.00 0.00 C ATOM 1575 CG GLN A 102 3.200 -2.397 2.208 1.00 0.00 C ATOM 1576 CD GLN A 102 3.785 -2.911 3.523 1.00 0.00 C ATOM 1577 OE1 GLN A 102 4.910 -2.608 3.902 1.00 0.00 O ATOM 1578 NE2 GLN A 102 3.034 -3.681 4.287 1.00 0.00 N ATOM 0 H GLN A 102 0.586 -2.531 1.436 1.00 0.00 H new ATOM 0 HA GLN A 102 1.012 0.241 1.439 1.00 0.00 H new ATOM 0 HB2 GLN A 102 2.991 -0.327 2.754 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.646 -1.336 3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.594 -3.177 1.747 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.008 -2.168 1.513 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.096 -3.941 3.983 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.392 -4.017 5.181 1.00 0.00 H new ATOM 1587 N ASP A 103 2.609 -1.187 -0.974 1.00 0.00 N ATOM 1588 CA ASP A 103 3.378 -0.935 -2.200 1.00 0.00 C ATOM 1589 C ASP A 103 2.586 -0.129 -3.249 1.00 0.00 C ATOM 1590 O ASP A 103 3.192 0.525 -4.096 1.00 0.00 O ATOM 1591 CB ASP A 103 3.861 -2.274 -2.795 1.00 0.00 C ATOM 1592 CG ASP A 103 5.395 -2.369 -2.801 1.00 0.00 C ATOM 1593 OD1 ASP A 103 6.020 -1.922 -3.792 1.00 0.00 O ATOM 1594 OD2 ASP A 103 5.973 -2.894 -1.821 1.00 0.00 O ATOM 0 H ASP A 103 2.179 -2.112 -0.958 1.00 0.00 H new ATOM 0 HA ASP A 103 4.237 -0.322 -1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.447 -3.100 -2.217 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.485 -2.377 -3.813 1.00 0.00 H new ATOM 1599 N LEU A 104 1.249 -0.130 -3.171 1.00 0.00 N ATOM 1600 CA LEU A 104 0.350 0.632 -4.051 1.00 0.00 C ATOM 1601 C LEU A 104 -0.064 1.971 -3.430 1.00 0.00 C ATOM 1602 O LEU A 104 -0.118 2.983 -4.128 1.00 0.00 O ATOM 1603 CB LEU A 104 -0.883 -0.219 -4.397 1.00 0.00 C ATOM 1604 CG LEU A 104 -0.562 -1.573 -5.063 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -1.882 -2.270 -5.398 1.00 0.00 C ATOM 1606 CD2 LEU A 104 0.297 -1.440 -6.328 1.00 0.00 C ATOM 0 H LEU A 104 0.746 -0.678 -2.473 1.00 0.00 H new ATOM 0 HA LEU A 104 0.892 0.865 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.449 -0.403 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.529 0.354 -5.062 1.00 0.00 H new ATOM 0 HG LEU A 104 0.027 -2.159 -4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.677 -3.231 -5.870 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.451 -2.430 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.460 -1.646 -6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.485 -2.429 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.229 -0.830 -7.063 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.246 -0.966 -6.076 1.00 0.00 H new ATOM 1618 N MET A 105 -0.239 2.003 -2.106 1.00 0.00 N ATOM 1619 CA MET A 105 -0.449 3.217 -1.301 1.00 0.00 C ATOM 1620 C MET A 105 0.701 4.230 -1.462 1.00 0.00 C ATOM 1621 O MET A 105 0.475 5.436 -1.375 1.00 0.00 O ATOM 1622 CB MET A 105 -0.613 2.822 0.178 1.00 0.00 C ATOM 1623 CG MET A 105 -1.883 1.996 0.445 1.00 0.00 C ATOM 1624 SD MET A 105 -3.436 2.909 0.350 1.00 0.00 S ATOM 1625 CE MET A 105 -3.592 3.421 2.068 1.00 0.00 C ATOM 0 H MET A 105 -0.239 1.154 -1.541 1.00 0.00 H new ATOM 0 HA MET A 105 -1.354 3.708 -1.659 1.00 0.00 H new ATOM 0 HB2 MET A 105 0.259 2.249 0.494 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.639 3.725 0.788 1.00 0.00 H new ATOM 0 HG2 MET A 105 -1.919 1.176 -0.272 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.804 1.550 1.436 1.00 0.00 H new ATOM 0 HE1 MET A 105 -4.096 4.386 2.116 1.00 0.00 H new ATOM 0 HE2 MET A 105 -4.173 2.680 2.617 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.601 3.507 2.513 1.00 0.00 H new ATOM 2271 N PHE B 2 -21.362 -5.216 6.376 1.00 0.00 N ATOM 2272 CA PHE B 2 -21.462 -5.134 7.837 1.00 0.00 C ATOM 2273 C PHE B 2 -20.534 -4.046 8.399 1.00 0.00 C ATOM 2274 O PHE B 2 -19.325 -4.088 8.169 1.00 0.00 O ATOM 2275 CB PHE B 2 -21.140 -6.503 8.445 1.00 0.00 C ATOM 2276 CG PHE B 2 -21.535 -6.609 9.905 1.00 0.00 C ATOM 2277 CD1 PHE B 2 -20.689 -6.116 10.917 1.00 0.00 C ATOM 2278 CD2 PHE B 2 -22.776 -7.178 10.246 1.00 0.00 C ATOM 2279 CE1 PHE B 2 -21.093 -6.175 12.263 1.00 0.00 C ATOM 2280 CE2 PHE B 2 -23.177 -7.243 11.591 1.00 0.00 C ATOM 2281 CZ PHE B 2 -22.340 -6.731 12.601 1.00 0.00 C ATOM 0 HA PHE B 2 -22.481 -4.855 8.107 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -21.656 -7.277 7.877 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -20.071 -6.695 8.348 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -19.729 -5.692 10.660 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -23.422 -7.566 9.472 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -20.445 -5.793 13.038 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -24.127 -7.686 11.850 1.00 0.00 H new ATOM 0 HZ PHE B 2 -22.655 -6.765 13.633 1.00 0.00 H new ATOM 2291 N ARG B 3 -21.097 -3.097 9.158 1.00 0.00 N ATOM 2292 CA ARG B 3 -20.348 -2.017 9.813 1.00 0.00 C ATOM 2293 C ARG B 3 -19.800 -2.467 11.178 1.00 0.00 C ATOM 2294 O ARG B 3 -20.560 -2.891 12.050 1.00 0.00 O ATOM 2295 CB ARG B 3 -21.184 -0.716 9.899 1.00 0.00 C ATOM 2296 CG ARG B 3 -22.517 -0.744 10.684 1.00 0.00 C ATOM 2297 CD ARG B 3 -23.758 -1.173 9.884 1.00 0.00 C ATOM 2298 NE ARG B 3 -24.218 -0.109 8.973 1.00 0.00 N ATOM 2299 CZ ARG B 3 -25.393 -0.059 8.352 1.00 0.00 C ATOM 2300 NH1 ARG B 3 -26.276 -1.032 8.442 1.00 0.00 N ATOM 2301 NH2 ARG B 3 -25.700 0.992 7.623 1.00 0.00 N ATOM 0 H ARG B 3 -22.100 -3.057 9.337 1.00 0.00 H new ATOM 0 HA ARG B 3 -19.483 -1.782 9.193 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -20.554 0.054 10.344 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -21.406 -0.397 8.881 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -22.403 -1.420 11.531 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -22.697 0.251 11.092 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -23.527 -2.069 9.308 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -24.562 -1.434 10.572 1.00 0.00 H new ATOM 0 HE ARG B 3 -23.573 0.663 8.803 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -26.069 -1.859 9.002 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -27.167 -0.959 7.952 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -25.038 1.763 7.536 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -26.600 1.036 7.145 1.00 0.00 H new ATOM 2315 N LEU B 4 -18.482 -2.380 11.377 1.00 0.00 N ATOM 2316 CA LEU B 4 -17.832 -2.668 12.666 1.00 0.00 C ATOM 2317 C LEU B 4 -17.710 -1.426 13.560 1.00 0.00 C ATOM 2318 O LEU B 4 -17.625 -0.293 13.079 1.00 0.00 O ATOM 2319 CB LEU B 4 -16.453 -3.304 12.429 1.00 0.00 C ATOM 2320 CG LEU B 4 -16.499 -4.779 12.010 1.00 0.00 C ATOM 2321 CD1 LEU B 4 -15.085 -5.207 11.620 1.00 0.00 C ATOM 2322 CD2 LEU B 4 -16.985 -5.702 13.131 1.00 0.00 C ATOM 0 H LEU B 4 -17.828 -2.106 10.644 1.00 0.00 H new ATOM 0 HA LEU B 4 -18.470 -3.373 13.200 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -15.932 -2.736 11.658 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -15.864 -3.216 13.342 1.00 0.00 H new ATOM 0 HG LEU B 4 -17.203 -4.866 11.182 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -15.092 -6.254 11.318 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -14.734 -4.592 10.791 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -14.418 -5.080 12.473 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -16.996 -6.732 12.775 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -16.314 -5.621 13.986 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -17.992 -5.411 13.431 1.00 0.00 H new ATOM 2334 N ARG B 5 -17.672 -1.677 14.873 1.00 0.00 N ATOM 2335 CA ARG B 5 -17.590 -0.662 15.939 1.00 0.00 C ATOM 2336 C ARG B 5 -16.142 -0.267 16.302 1.00 0.00 C ATOM 2337 O ARG B 5 -15.913 0.789 16.894 1.00 0.00 O ATOM 2338 CB ARG B 5 -18.372 -1.195 17.156 1.00 0.00 C ATOM 2339 CG ARG B 5 -18.616 -0.141 18.250 1.00 0.00 C ATOM 2340 CD ARG B 5 -19.544 -0.650 19.366 1.00 0.00 C ATOM 2341 NE ARG B 5 -20.915 -0.920 18.886 1.00 0.00 N ATOM 2342 CZ ARG B 5 -21.873 -0.027 18.657 1.00 0.00 C ATOM 2343 NH1 ARG B 5 -21.692 1.264 18.845 1.00 0.00 N ATOM 2344 NH2 ARG B 5 -23.049 -0.431 18.226 1.00 0.00 N ATOM 0 H ARG B 5 -17.698 -2.628 15.241 1.00 0.00 H new ATOM 0 HA ARG B 5 -18.037 0.265 15.580 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -19.333 -1.582 16.817 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -17.825 -2.033 17.588 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -17.661 0.155 18.684 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -19.051 0.751 17.799 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -19.126 -1.562 19.793 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -19.582 0.089 20.167 1.00 0.00 H new ATOM 0 HE ARG B 5 -21.152 -1.897 18.712 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -20.792 1.610 19.178 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -22.452 1.918 18.658 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -23.221 -1.424 18.070 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -23.788 0.249 18.048 1.00 0.00 H new ATOM 2358 N HIS B 6 -15.158 -1.085 15.920 1.00 0.00 N ATOM 2359 CA HIS B 6 -13.722 -0.902 16.184 1.00 0.00 C ATOM 2360 C HIS B 6 -12.856 -1.655 15.148 1.00 0.00 C ATOM 2361 O HIS B 6 -13.377 -2.469 14.381 1.00 0.00 O ATOM 2362 CB HIS B 6 -13.401 -1.353 17.622 1.00 0.00 C ATOM 2363 CG HIS B 6 -13.287 -2.849 17.776 1.00 0.00 C ATOM 2364 ND1 HIS B 6 -12.084 -3.555 17.839 1.00 0.00 N ATOM 2365 CD2 HIS B 6 -14.322 -3.736 17.794 1.00 0.00 C ATOM 2366 CE1 HIS B 6 -12.426 -4.852 17.900 1.00 0.00 C ATOM 2367 NE2 HIS B 6 -13.764 -4.992 17.874 1.00 0.00 N ATOM 0 H HIS B 6 -15.347 -1.937 15.391 1.00 0.00 H new ATOM 0 HA HIS B 6 -13.479 0.156 16.086 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -12.465 -0.892 17.938 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -14.179 -0.986 18.291 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -15.375 -3.499 17.753 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -11.724 -5.670 17.961 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -14.275 -5.874 17.908 1.00 0.00 H new ATOM 2375 N PHE B 7 -11.543 -1.394 15.121 1.00 0.00 N ATOM 2376 CA PHE B 7 -10.631 -2.016 14.158 1.00 0.00 C ATOM 2377 C PHE B 7 -10.082 -3.365 14.679 1.00 0.00 C ATOM 2378 O PHE B 7 -9.425 -3.375 15.726 1.00 0.00 O ATOM 2379 CB PHE B 7 -9.516 -1.026 13.787 1.00 0.00 C ATOM 2380 CG PHE B 7 -8.827 -1.395 12.493 1.00 0.00 C ATOM 2381 CD1 PHE B 7 -9.583 -1.461 11.309 1.00 0.00 C ATOM 2382 CD2 PHE B 7 -7.453 -1.695 12.463 1.00 0.00 C ATOM 2383 CE1 PHE B 7 -8.977 -1.848 10.110 1.00 0.00 C ATOM 2384 CE2 PHE B 7 -6.844 -2.046 11.246 1.00 0.00 C ATOM 2385 CZ PHE B 7 -7.605 -2.140 10.071 1.00 0.00 C ATOM 0 H PHE B 7 -11.086 -0.748 15.764 1.00 0.00 H new ATOM 0 HA PHE B 7 -11.184 -2.254 13.249 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -9.937 -0.025 13.699 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -8.781 -0.993 14.591 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -10.634 -1.212 11.326 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -6.869 -1.656 13.371 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -9.568 -1.923 9.209 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -5.783 -2.245 11.215 1.00 0.00 H new ATOM 0 HZ PHE B 7 -7.138 -2.435 9.143 1.00 0.00 H new ATOM 2395 N PRO B 8 -10.334 -4.498 13.983 1.00 0.00 N ATOM 2396 CA PRO B 8 -10.047 -5.836 14.502 1.00 0.00 C ATOM 2397 C PRO B 8 -8.592 -6.292 14.310 1.00 0.00 C ATOM 2398 O PRO B 8 -8.132 -7.153 15.059 1.00 0.00 O ATOM 2399 CB PRO B 8 -11.009 -6.760 13.750 1.00 0.00 C ATOM 2400 CG PRO B 8 -11.138 -6.084 12.387 1.00 0.00 C ATOM 2401 CD PRO B 8 -11.096 -4.601 12.744 1.00 0.00 C ATOM 0 HA PRO B 8 -10.183 -5.852 15.583 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -10.612 -7.771 13.663 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -11.972 -6.838 14.255 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -10.324 -6.363 11.718 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -12.068 -6.354 11.887 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -10.625 -4.023 11.949 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -12.103 -4.204 12.873 1.00 0.00 H new ATOM 2409 N CYS B 9 -7.859 -5.740 13.334 1.00 0.00 N ATOM 2410 CA CYS B 9 -6.487 -6.154 13.023 1.00 0.00 C ATOM 2411 C CYS B 9 -5.475 -5.553 14.018 1.00 0.00 C ATOM 2412 O CYS B 9 -5.436 -4.335 14.216 1.00 0.00 O ATOM 2413 CB CYS B 9 -6.165 -5.763 11.574 1.00 0.00 C ATOM 2414 SG CYS B 9 -7.239 -6.680 10.428 1.00 0.00 S ATOM 0 H CYS B 9 -8.204 -4.990 12.736 1.00 0.00 H new ATOM 0 HA CYS B 9 -6.406 -7.236 13.124 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -6.306 -4.691 11.438 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -5.119 -5.977 11.355 1.00 0.00 H new ATOM 0 HG CYS B 9 -6.889 -6.421 9.203 1.00 0.00 H new ATOM 2420 N GLY B 10 -4.642 -6.407 14.628 1.00 0.00 N ATOM 2421 CA GLY B 10 -3.681 -6.016 15.675 1.00 0.00 C ATOM 2422 C GLY B 10 -2.394 -5.373 15.146 1.00 0.00 C ATOM 2423 O GLY B 10 -1.750 -4.622 15.879 1.00 0.00 O ATOM 0 H GLY B 10 -4.614 -7.402 14.407 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -4.168 -5.318 16.356 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -3.418 -6.899 16.258 1.00 0.00 H new ATOM 2427 N ASN B 11 -2.036 -5.628 13.884 1.00 0.00 N ATOM 2428 CA ASN B 11 -0.917 -4.992 13.182 1.00 0.00 C ATOM 2429 C ASN B 11 -1.444 -4.226 11.955 1.00 0.00 C ATOM 2430 O ASN B 11 -2.175 -4.792 11.139 1.00 0.00 O ATOM 2431 CB ASN B 11 0.119 -6.058 12.791 1.00 0.00 C ATOM 2432 CG ASN B 11 1.428 -5.429 12.314 1.00 0.00 C ATOM 2433 OD1 ASN B 11 1.474 -4.715 11.321 1.00 0.00 O ATOM 2434 ND2 ASN B 11 2.524 -5.646 13.019 1.00 0.00 N ATOM 0 H ASN B 11 -2.533 -6.304 13.304 1.00 0.00 H new ATOM 0 HA ASN B 11 -0.424 -4.273 13.836 1.00 0.00 H new ATOM 0 HB2 ASN B 11 0.317 -6.704 13.646 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -0.289 -6.690 12.002 1.00 0.00 H new ATOM 0 HD21 ASN B 11 3.406 -5.219 12.735 1.00 0.00 H new ATOM 0 HD22 ASN B 11 2.488 -6.241 13.847 1.00 0.00 H new ATOM 2441 N VAL B 12 -1.099 -2.938 11.852 1.00 0.00 N ATOM 2442 CA VAL B 12 -1.609 -1.993 10.857 1.00 0.00 C ATOM 2443 C VAL B 12 -0.470 -1.159 10.264 1.00 0.00 C ATOM 2444 O VAL B 12 0.615 -1.064 10.840 1.00 0.00 O ATOM 2445 CB VAL B 12 -2.724 -1.084 11.441 1.00 0.00 C ATOM 2446 CG1 VAL B 12 -3.538 -1.726 12.575 1.00 0.00 C ATOM 2447 CG2 VAL B 12 -2.271 0.307 11.917 1.00 0.00 C ATOM 0 H VAL B 12 -0.427 -2.509 12.488 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.059 -2.576 10.053 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.356 -0.954 10.562 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.294 -1.022 12.924 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.025 -2.629 12.207 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.873 -1.983 13.400 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.129 0.856 12.305 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.524 0.197 12.703 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.838 0.855 11.080 1.00 0.00 H new ATOM 2457 N ASN B 13 -0.753 -0.505 9.139 1.00 0.00 N ATOM 2458 CA ASN B 13 0.139 0.440 8.471 1.00 0.00 C ATOM 2459 C ASN B 13 -0.650 1.704 8.068 1.00 0.00 C ATOM 2460 O ASN B 13 -1.780 1.617 7.579 1.00 0.00 O ATOM 2461 CB ASN B 13 0.786 -0.307 7.293 1.00 0.00 C ATOM 2462 CG ASN B 13 1.912 0.432 6.577 1.00 0.00 C ATOM 2463 OD1 ASN B 13 2.155 1.617 6.764 1.00 0.00 O ATOM 2464 ND2 ASN B 13 2.650 -0.276 5.739 1.00 0.00 N ATOM 0 H ASN B 13 -1.641 -0.623 8.651 1.00 0.00 H new ATOM 0 HA ASN B 13 0.938 0.798 9.121 1.00 0.00 H new ATOM 0 HB2 ASN B 13 1.176 -1.257 7.659 1.00 0.00 H new ATOM 0 HB3 ASN B 13 0.009 -0.541 6.565 1.00 0.00 H new ATOM 0 HD21 ASN B 13 3.426 0.165 5.245 1.00 0.00 H new ATOM 0 HD22 ASN B 13 2.444 -1.263 5.587 1.00 0.00 H new ATOM 2471 N TYR B 14 -0.081 2.883 8.333 1.00 0.00 N ATOM 2472 CA TYR B 14 -0.707 4.187 8.078 1.00 0.00 C ATOM 2473 C TYR B 14 -0.191 4.797 6.763 1.00 0.00 C ATOM 2474 O TYR B 14 0.984 5.160 6.648 1.00 0.00 O ATOM 2475 CB TYR B 14 -0.451 5.124 9.269 1.00 0.00 C ATOM 2476 CG TYR B 14 -0.948 4.594 10.603 1.00 0.00 C ATOM 2477 CD1 TYR B 14 -2.330 4.511 10.857 1.00 0.00 C ATOM 2478 CD2 TYR B 14 -0.030 4.177 11.588 1.00 0.00 C ATOM 2479 CE1 TYR B 14 -2.796 4.012 12.087 1.00 0.00 C ATOM 2480 CE2 TYR B 14 -0.490 3.680 12.824 1.00 0.00 C ATOM 2481 CZ TYR B 14 -1.878 3.595 13.077 1.00 0.00 C ATOM 2482 OH TYR B 14 -2.333 3.115 14.268 1.00 0.00 O ATOM 0 H TYR B 14 0.851 2.961 8.741 1.00 0.00 H new ATOM 0 HA TYR B 14 -1.783 4.050 7.969 1.00 0.00 H new ATOM 0 HB2 TYR B 14 0.620 5.313 9.343 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -0.931 6.082 9.071 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -3.035 4.832 10.105 1.00 0.00 H new ATOM 0 HD2 TYR B 14 1.031 4.239 11.395 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -3.858 3.947 12.275 1.00 0.00 H new ATOM 0 HE2 TYR B 14 0.217 3.365 13.577 1.00 0.00 H new ATOM 0 HH TYR B 14 -1.572 2.872 14.835 1.00 0.00 H new