USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 798 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 81:sc= 0.0223 USER MOD Set 1.2: A 102 GLN : amide:sc= 0 K(o=-1.1,f=-2.2) USER MOD Set 1.3: B 13 ASN : amide:sc= -1.09 X(o=-1.1,f=-1.3!) USER MOD Set 2.1: A 80 CYS SG : rot 160:sc= -0.155 USER MOD Set 2.2: A 82 THR OG1 : rot 135:sc= 0.016 USER MOD Set 3.1: A 17 HIS : no HD1:sc= -1.67! C(o=-2.7!,f=-8.4!) USER MOD Set 3.2: A 19 THR OG1 : rot -25:sc= -1.41! USER MOD Set 3.3: A 20 LYS NZ :NH3+ 153:sc= 0.343 (180deg=0.1) USER MOD Single : A 16 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.79) USER MOD Single : A 22 LYS NZ :NH3+ -108:sc= -2.24 (180deg=-4.67!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.4!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -162:sc= -0.804 (180deg=-1.3) USER MOD Single : A 41 THR OG1 : rot 2:sc= 0.765 USER MOD Single : A 42 GLN : amide:sc= -1.2 K(o=-1.2,f=-3.4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 144:sc= 1.11 USER MOD Single : A 61 CYS SG : rot 180:sc= -1.38 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.265 X(o=-0.27,f=-0.48) USER MOD Single : A 73 SER OG : rot 17:sc= 0.0061 USER MOD Single : A 76 SER OG : rot -163:sc= 0.525 USER MOD Single : A 81 GLN : amide:sc= -0.0341 X(o=-0.034,f=-0.4) USER MOD Single : A 84 GLN : amide:sc= -0.0859 K(o=-0.086,f=-1.6!) USER MOD Single : A 90 LYS NZ :NH3+ 167:sc= 0.464 (180deg=0.112) USER MOD Single : A 91 CYS SG : rot 180:sc= -0.607 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -2.2! C(o=-2.2!,f=-2.4!) USER MOD Single : A 105 MET CE :methyl 146:sc= -0.61 (180deg=-1.84) USER MOD Single : B 6 HIS : no HD1:sc= -1.06 K(o=-1.1,f=0) USER MOD Single : B 9 CYS SG : rot 127:sc= 1.49 USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 14 16.975 12.801 -6.365 1.00 0.00 N ATOM 163 CA PRO A 14 16.363 12.406 -7.638 1.00 0.00 C ATOM 164 C PRO A 14 15.097 11.578 -7.440 1.00 0.00 C ATOM 165 O PRO A 14 14.839 11.073 -6.347 1.00 0.00 O ATOM 166 CB PRO A 14 17.451 11.565 -8.309 1.00 0.00 C ATOM 167 CG PRO A 14 18.273 11.039 -7.183 1.00 0.00 C ATOM 168 CD PRO A 14 18.249 12.103 -6.121 1.00 0.00 C ATOM 0 HA PRO A 14 16.050 13.270 -8.225 1.00 0.00 H new ATOM 0 HB2 PRO A 14 17.019 10.754 -8.896 1.00 0.00 H new ATOM 0 HB3 PRO A 14 18.052 12.167 -8.991 1.00 0.00 H new ATOM 0 HG2 PRO A 14 17.864 10.102 -6.806 1.00 0.00 H new ATOM 0 HG3 PRO A 14 19.293 10.834 -7.507 1.00 0.00 H new ATOM 0 HD2 PRO A 14 18.286 11.673 -5.120 1.00 0.00 H new ATOM 0 HD3 PRO A 14 19.100 12.778 -6.209 1.00 0.00 H new ATOM 176 N ASP A 15 14.312 11.444 -8.503 1.00 0.00 N ATOM 177 CA ASP A 15 13.073 10.676 -8.446 1.00 0.00 C ATOM 178 C ASP A 15 13.304 9.238 -8.899 1.00 0.00 C ATOM 179 O ASP A 15 12.383 8.423 -8.905 1.00 0.00 O ATOM 180 CB ASP A 15 12.001 11.332 -9.317 1.00 0.00 C ATOM 181 CG ASP A 15 10.596 10.998 -8.856 1.00 0.00 C ATOM 182 OD1 ASP A 15 10.351 11.025 -7.632 1.00 0.00 O ATOM 183 OD2 ASP A 15 9.741 10.711 -9.720 1.00 0.00 O ATOM 0 H ASP A 15 14.511 11.857 -9.414 1.00 0.00 H new ATOM 0 HA ASP A 15 12.731 10.662 -7.411 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.137 12.413 -9.303 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.128 11.008 -10.350 1.00 0.00 H new ATOM 188 N ASN A 16 14.541 8.934 -9.279 1.00 0.00 N ATOM 189 CA ASN A 16 14.893 7.594 -9.735 1.00 0.00 C ATOM 190 C ASN A 16 15.657 6.835 -8.655 1.00 0.00 C ATOM 191 O ASN A 16 15.855 5.623 -8.755 1.00 0.00 O ATOM 192 CB ASN A 16 15.735 7.672 -11.011 1.00 0.00 C ATOM 193 CG ASN A 16 16.386 6.347 -11.356 1.00 0.00 C ATOM 194 OD1 ASN A 16 15.724 5.310 -11.400 1.00 0.00 O ATOM 195 ND2 ASN A 16 17.691 6.375 -11.601 1.00 0.00 N ATOM 0 H ASN A 16 15.316 9.597 -9.280 1.00 0.00 H new ATOM 0 HA ASN A 16 13.970 7.056 -9.948 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.104 7.990 -11.841 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.507 8.432 -10.888 1.00 0.00 H new ATOM 0 HD21 ASN A 16 18.184 5.514 -11.837 1.00 0.00 H new ATOM 0 HD22 ASN A 16 18.200 7.258 -11.553 1.00 0.00 H new ATOM 202 N HIS A 17 16.083 7.554 -7.621 1.00 0.00 N ATOM 203 CA HIS A 17 16.823 6.948 -6.521 1.00 0.00 C ATOM 204 C HIS A 17 16.180 5.633 -6.093 1.00 0.00 C ATOM 205 O HIS A 17 15.017 5.584 -5.692 1.00 0.00 O ATOM 206 CB HIS A 17 16.889 7.908 -5.333 1.00 0.00 C ATOM 207 CG HIS A 17 18.208 7.894 -4.623 1.00 0.00 C ATOM 208 ND1 HIS A 17 18.542 6.950 -3.675 1.00 0.00 N ATOM 209 CD2 HIS A 17 19.278 8.715 -4.728 1.00 0.00 C ATOM 210 CE1 HIS A 17 19.761 7.192 -3.228 1.00 0.00 C ATOM 211 NE2 HIS A 17 20.231 8.257 -3.851 1.00 0.00 N ATOM 0 H HIS A 17 15.928 8.557 -7.522 1.00 0.00 H new ATOM 0 HA HIS A 17 17.836 6.741 -6.867 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.685 8.920 -5.683 1.00 0.00 H new ATOM 0 HB3 HIS A 17 16.102 7.651 -4.624 1.00 0.00 H new ATOM 0 HD2 HIS A 17 19.367 9.571 -5.380 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.285 6.616 -2.479 1.00 0.00 H new ATOM 0 HE2 HIS A 17 21.151 8.672 -3.705 1.00 0.00 H new ATOM 220 N PRO A 18 16.953 4.540 -6.179 1.00 0.00 N ATOM 221 CA PRO A 18 16.480 3.204 -5.805 1.00 0.00 C ATOM 222 C PRO A 18 16.277 3.061 -4.301 1.00 0.00 C ATOM 223 O PRO A 18 15.528 2.197 -3.844 1.00 0.00 O ATOM 224 CB PRO A 18 17.605 2.282 -6.283 1.00 0.00 C ATOM 225 CG PRO A 18 18.821 3.142 -6.291 1.00 0.00 C ATOM 226 CD PRO A 18 18.349 4.524 -6.648 1.00 0.00 C ATOM 0 HA PRO A 18 15.509 2.978 -6.245 1.00 0.00 H new ATOM 0 HB2 PRO A 18 17.728 1.429 -5.616 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.395 1.883 -7.276 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.309 3.136 -5.317 1.00 0.00 H new ATOM 0 HG3 PRO A 18 19.550 2.780 -7.015 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.947 5.292 -6.157 1.00 0.00 H new ATOM 0 HD3 PRO A 18 18.415 4.706 -7.721 1.00 0.00 H new ATOM 234 N THR A 19 16.948 3.914 -3.533 1.00 0.00 N ATOM 235 CA THR A 19 16.842 3.882 -2.080 1.00 0.00 C ATOM 236 C THR A 19 15.835 4.912 -1.580 1.00 0.00 C ATOM 237 O THR A 19 15.221 4.736 -0.528 1.00 0.00 O ATOM 238 CB THR A 19 18.204 4.145 -1.411 1.00 0.00 C ATOM 239 OG1 THR A 19 18.562 5.524 -1.555 1.00 0.00 O ATOM 240 CG2 THR A 19 19.286 3.269 -2.024 1.00 0.00 C ATOM 0 H THR A 19 17.571 4.636 -3.894 1.00 0.00 H new ATOM 0 HA THR A 19 16.501 2.883 -1.810 1.00 0.00 H new ATOM 0 HB THR A 19 18.117 3.901 -0.352 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.114 5.898 -2.342 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.239 3.472 -1.536 1.00 0.00 H new ATOM 0 HG22 THR A 19 19.025 2.220 -1.888 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.370 3.487 -3.089 1.00 0.00 H new ATOM 248 N LYS A 20 15.670 5.989 -2.341 1.00 0.00 N ATOM 249 CA LYS A 20 14.736 7.048 -1.977 1.00 0.00 C ATOM 250 C LYS A 20 13.535 7.061 -2.917 1.00 0.00 C ATOM 251 O LYS A 20 13.635 6.652 -4.074 1.00 0.00 O ATOM 252 CB LYS A 20 15.437 8.407 -2.008 1.00 0.00 C ATOM 253 CG LYS A 20 16.064 8.800 -0.681 1.00 0.00 C ATOM 254 CD LYS A 20 17.374 8.067 -0.445 1.00 0.00 C ATOM 255 CE LYS A 20 18.323 8.886 0.416 1.00 0.00 C ATOM 256 NZ LYS A 20 19.469 8.072 0.907 1.00 0.00 N ATOM 0 H LYS A 20 16.171 6.151 -3.214 1.00 0.00 H new ATOM 0 HA LYS A 20 14.380 6.853 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.211 8.389 -2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.717 9.171 -2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.240 9.876 -0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.371 8.578 0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.175 7.111 0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.847 7.847 -1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.699 9.731 -0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.779 9.297 1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.287 8.691 1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.204 7.598 1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.718 7.357 0.194 1.00 0.00 H new ATOM 270 N PHE A 21 12.400 7.536 -2.414 1.00 0.00 N ATOM 271 CA PHE A 21 11.180 7.603 -3.209 1.00 0.00 C ATOM 272 C PHE A 21 10.247 8.690 -2.684 1.00 0.00 C ATOM 273 O PHE A 21 9.613 8.530 -1.641 1.00 0.00 O ATOM 274 CB PHE A 21 10.463 6.251 -3.198 1.00 0.00 C ATOM 275 CG PHE A 21 11.318 5.116 -3.684 1.00 0.00 C ATOM 276 CD1 PHE A 21 12.291 4.564 -2.867 1.00 0.00 C ATOM 277 CD2 PHE A 21 11.148 4.600 -4.959 1.00 0.00 C ATOM 278 CE1 PHE A 21 13.078 3.519 -3.311 1.00 0.00 C ATOM 279 CE2 PHE A 21 11.932 3.555 -5.408 1.00 0.00 C ATOM 280 CZ PHE A 21 12.899 3.014 -4.584 1.00 0.00 C ATOM 0 H PHE A 21 12.300 7.880 -1.459 1.00 0.00 H new ATOM 0 HA PHE A 21 11.458 7.851 -4.233 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.128 6.035 -2.184 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.571 6.316 -3.821 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.436 4.955 -1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.394 5.020 -5.609 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.832 3.097 -2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.789 3.161 -6.403 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.514 2.198 -4.934 1.00 0.00 H new ATOM 290 N LYS A 22 10.170 9.798 -3.413 1.00 0.00 N ATOM 291 CA LYS A 22 9.315 10.914 -3.023 1.00 0.00 C ATOM 292 C LYS A 22 7.850 10.491 -2.992 1.00 0.00 C ATOM 293 O LYS A 22 7.307 10.024 -3.993 1.00 0.00 O ATOM 294 CB LYS A 22 9.499 12.086 -3.990 1.00 0.00 C ATOM 295 CG LYS A 22 10.593 13.053 -3.573 1.00 0.00 C ATOM 296 CD LYS A 22 11.220 13.738 -4.775 1.00 0.00 C ATOM 297 CE LYS A 22 12.402 12.946 -5.315 1.00 0.00 C ATOM 298 NZ LYS A 22 12.843 13.445 -6.646 1.00 0.00 N ATOM 0 H LYS A 22 10.690 9.948 -4.278 1.00 0.00 H new ATOM 0 HA LYS A 22 9.605 11.229 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.729 11.695 -4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.558 12.629 -4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.179 13.804 -2.900 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.362 12.516 -3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.472 13.857 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.549 14.739 -4.494 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.232 13.007 -4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.128 11.894 -5.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.576 12.758 -7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.386 14.358 -6.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.876 13.568 -6.646 1.00 0.00 H new ATOM 312 N VAL A 23 7.215 10.660 -1.836 1.00 0.00 N ATOM 313 CA VAL A 23 5.811 10.299 -1.676 1.00 0.00 C ATOM 314 C VAL A 23 4.977 11.505 -1.261 1.00 0.00 C ATOM 315 O VAL A 23 5.514 12.533 -0.847 1.00 0.00 O ATOM 316 CB VAL A 23 5.635 9.183 -0.629 1.00 0.00 C ATOM 317 CG1 VAL A 23 6.387 7.930 -1.052 1.00 0.00 C ATOM 318 CG2 VAL A 23 6.101 9.658 0.739 1.00 0.00 C ATOM 0 H VAL A 23 7.650 11.044 -0.997 1.00 0.00 H new ATOM 0 HA VAL A 23 5.465 9.938 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 23 4.575 8.936 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.251 7.153 -0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.001 7.580 -2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.448 8.158 -1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.969 8.857 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.154 9.934 0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.513 10.524 1.043 1.00 0.00 H new ATOM 328 N THR A 24 3.659 11.374 -1.375 1.00 0.00 N ATOM 329 CA THR A 24 2.749 12.454 -1.013 1.00 0.00 C ATOM 330 C THR A 24 1.566 11.929 -0.207 1.00 0.00 C ATOM 331 O THR A 24 0.706 11.226 -0.736 1.00 0.00 O ATOM 332 CB THR A 24 2.221 13.186 -2.261 1.00 0.00 C ATOM 333 OG1 THR A 24 3.314 13.733 -3.007 1.00 0.00 O ATOM 334 CG2 THR A 24 1.259 14.298 -1.870 1.00 0.00 C ATOM 0 H THR A 24 3.198 10.530 -1.715 1.00 0.00 H new ATOM 0 HA THR A 24 3.318 13.156 -0.403 1.00 0.00 H new ATOM 0 HB THR A 24 1.685 12.465 -2.879 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.970 14.195 -3.800 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.899 14.801 -2.768 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.414 13.874 -1.328 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.774 15.017 -1.233 1.00 0.00 H new ATOM 342 N ASN A 25 1.530 12.275 1.076 1.00 0.00 N ATOM 343 CA ASN A 25 0.451 11.838 1.955 1.00 0.00 C ATOM 344 C ASN A 25 -0.898 12.343 1.453 1.00 0.00 C ATOM 345 O ASN A 25 -1.057 13.526 1.150 1.00 0.00 O ATOM 346 CB ASN A 25 0.696 12.335 3.381 1.00 0.00 C ATOM 347 CG ASN A 25 -0.550 12.255 4.242 1.00 0.00 C ATOM 348 OD1 ASN A 25 -0.952 13.239 4.864 1.00 0.00 O ATOM 349 ND2 ASN A 25 -1.168 11.080 4.282 1.00 0.00 N ATOM 0 H ASN A 25 2.235 12.856 1.530 1.00 0.00 H new ATOM 0 HA ASN A 25 0.433 10.748 1.955 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.489 11.743 3.838 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.046 13.367 3.348 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.011 10.966 4.844 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.799 10.291 3.750 1.00 0.00 H new ATOM 356 N VAL A 26 -1.868 11.438 1.367 1.00 0.00 N ATOM 357 CA VAL A 26 -3.204 11.792 0.904 1.00 0.00 C ATOM 358 C VAL A 26 -4.273 11.262 1.853 1.00 0.00 C ATOM 359 O VAL A 26 -3.980 10.487 2.764 1.00 0.00 O ATOM 360 CB VAL A 26 -3.472 11.242 -0.510 1.00 0.00 C ATOM 361 CG1 VAL A 26 -2.467 11.808 -1.502 1.00 0.00 C ATOM 362 CG2 VAL A 26 -3.431 9.721 -0.507 1.00 0.00 C ATOM 0 H VAL A 26 -1.753 10.455 1.612 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.252 12.881 0.878 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.469 11.555 -0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.672 11.409 -2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.550 12.895 -1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.459 11.527 -1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.622 9.350 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.448 9.384 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.193 9.338 0.172 1.00 0.00 H new ATOM 372 N ASP A 27 -5.513 11.686 1.635 1.00 0.00 N ATOM 373 CA ASP A 27 -6.627 11.254 2.471 1.00 0.00 C ATOM 374 C ASP A 27 -7.492 10.234 1.737 1.00 0.00 C ATOM 375 O ASP A 27 -7.164 9.809 0.629 1.00 0.00 O ATOM 376 CB ASP A 27 -7.476 12.456 2.887 1.00 0.00 C ATOM 377 CG ASP A 27 -8.570 12.768 1.885 1.00 0.00 C ATOM 378 OD1 ASP A 27 -8.249 12.926 0.688 1.00 0.00 O ATOM 379 OD2 ASP A 27 -9.746 12.854 2.296 1.00 0.00 O ATOM 0 H ASP A 27 -5.772 12.329 0.886 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.218 10.782 3.364 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.925 12.260 3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.833 13.329 3.002 1.00 0.00 H new ATOM 384 N ASP A 28 -8.598 9.845 2.363 1.00 0.00 N ATOM 385 CA ASP A 28 -9.511 8.874 1.770 1.00 0.00 C ATOM 386 C ASP A 28 -9.889 9.282 0.349 1.00 0.00 C ATOM 387 O ASP A 28 -9.929 8.448 -0.555 1.00 0.00 O ATOM 388 CB ASP A 28 -10.770 8.737 2.627 1.00 0.00 C ATOM 389 CG ASP A 28 -10.631 7.669 3.693 1.00 0.00 C ATOM 390 OD1 ASP A 28 -10.415 6.493 3.332 1.00 0.00 O ATOM 391 OD2 ASP A 28 -10.738 8.009 4.890 1.00 0.00 O ATOM 0 H ASP A 28 -8.884 10.187 3.280 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.003 7.911 1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.989 9.694 3.102 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.618 8.498 1.986 1.00 0.00 H new ATOM 396 N GLU A 29 -10.166 10.568 0.161 1.00 0.00 N ATOM 397 CA GLU A 29 -10.543 11.085 -1.149 1.00 0.00 C ATOM 398 C GLU A 29 -9.378 10.982 -2.130 1.00 0.00 C ATOM 399 O GLU A 29 -9.576 10.764 -3.324 1.00 0.00 O ATOM 400 CB GLU A 29 -11.002 12.540 -1.036 1.00 0.00 C ATOM 401 CG GLU A 29 -12.036 12.769 0.053 1.00 0.00 C ATOM 402 CD GLU A 29 -13.457 12.606 -0.449 1.00 0.00 C ATOM 403 OE1 GLU A 29 -13.855 13.363 -1.358 1.00 0.00 O ATOM 404 OE2 GLU A 29 -14.172 11.721 0.068 1.00 0.00 O ATOM 0 H GLU A 29 -10.136 11.271 0.899 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.368 10.480 -1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.135 13.171 -0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.418 12.856 -1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.860 12.068 0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.912 13.772 0.462 1.00 0.00 H new ATOM 411 N GLY A 30 -8.163 11.141 -1.615 1.00 0.00 N ATOM 412 CA GLY A 30 -6.984 11.064 -2.458 1.00 0.00 C ATOM 413 C GLY A 30 -6.281 12.400 -2.596 1.00 0.00 C ATOM 414 O GLY A 30 -5.268 12.508 -3.288 1.00 0.00 O ATOM 0 H GLY A 30 -7.974 11.322 -0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.291 10.333 -2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.271 10.704 -3.446 1.00 0.00 H new ATOM 418 N VAL A 31 -6.820 13.421 -1.938 1.00 0.00 N ATOM 419 CA VAL A 31 -6.238 14.757 -1.991 1.00 0.00 C ATOM 420 C VAL A 31 -4.814 14.758 -1.447 1.00 0.00 C ATOM 421 O VAL A 31 -4.385 13.802 -0.801 1.00 0.00 O ATOM 422 CB VAL A 31 -7.082 15.768 -1.192 1.00 0.00 C ATOM 423 CG1 VAL A 31 -8.537 15.715 -1.631 1.00 0.00 C ATOM 424 CG2 VAL A 31 -6.957 15.504 0.301 1.00 0.00 C ATOM 0 H VAL A 31 -7.659 13.349 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.223 15.055 -3.039 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.703 16.770 -1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.117 16.436 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.606 15.957 -2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.932 14.713 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.560 16.227 0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.308 14.496 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.913 15.599 0.601 1.00 0.00 H new ATOM 434 N GLU A 32 -4.086 15.838 -1.711 1.00 0.00 N ATOM 435 CA GLU A 32 -2.709 15.963 -1.248 1.00 0.00 C ATOM 436 C GLU A 32 -2.622 16.903 -0.049 1.00 0.00 C ATOM 437 O GLU A 32 -2.898 18.098 -0.161 1.00 0.00 O ATOM 438 CB GLU A 32 -1.812 16.474 -2.377 1.00 0.00 C ATOM 439 CG GLU A 32 -1.902 15.647 -3.649 1.00 0.00 C ATOM 440 CD GLU A 32 -0.960 16.136 -4.731 1.00 0.00 C ATOM 441 OE1 GLU A 32 0.202 16.458 -4.404 1.00 0.00 O ATOM 442 OE2 GLU A 32 -1.384 16.198 -5.904 1.00 0.00 O ATOM 0 H GLU A 32 -4.427 16.639 -2.243 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.365 14.976 -0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.081 17.505 -2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.778 16.483 -2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.675 14.606 -3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.925 15.674 -4.024 1.00 0.00 H new ATOM 449 N LEU A 33 -2.236 16.354 1.098 1.00 0.00 N ATOM 450 CA LEU A 33 -2.112 17.142 2.319 1.00 0.00 C ATOM 451 C LEU A 33 -0.692 17.674 2.482 1.00 0.00 C ATOM 452 O LEU A 33 -0.469 18.884 2.495 1.00 0.00 O ATOM 453 CB LEU A 33 -2.495 16.297 3.536 1.00 0.00 C ATOM 454 CG LEU A 33 -3.747 15.432 3.385 1.00 0.00 C ATOM 455 CD1 LEU A 33 -3.983 14.611 4.643 1.00 0.00 C ATOM 456 CD2 LEU A 33 -4.959 16.297 3.075 1.00 0.00 C ATOM 0 H LEU A 33 -2.004 15.367 1.208 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.792 17.991 2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.655 15.646 3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.639 16.964 4.386 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.593 14.746 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.878 14.002 4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.125 13.963 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.116 15.279 5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.840 15.664 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.116 17.008 3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.790 16.840 2.145 1.00 0.00 H new ATOM 468 N GLY A 34 0.267 16.761 2.605 1.00 0.00 N ATOM 469 CA GLY A 34 1.653 17.158 2.764 1.00 0.00 C ATOM 470 C GLY A 34 2.597 16.312 1.932 1.00 0.00 C ATOM 471 O GLY A 34 2.281 15.173 1.588 1.00 0.00 O ATOM 0 H GLY A 34 0.108 15.753 2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.763 18.205 2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.932 17.081 3.815 1.00 0.00 H new ATOM 475 N SER A 35 3.759 16.870 1.606 1.00 0.00 N ATOM 476 CA SER A 35 4.749 16.161 0.804 1.00 0.00 C ATOM 477 C SER A 35 5.823 15.540 1.692 1.00 0.00 C ATOM 478 O SER A 35 6.210 16.112 2.711 1.00 0.00 O ATOM 479 CB SER A 35 5.394 17.112 -0.206 1.00 0.00 C ATOM 480 OG SER A 35 6.153 18.114 0.449 1.00 0.00 O ATOM 0 H SER A 35 4.038 17.811 1.885 1.00 0.00 H new ATOM 0 HA SER A 35 4.240 15.362 0.266 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.037 16.548 -0.882 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.621 17.578 -0.816 1.00 0.00 H new ATOM 0 HG SER A 35 6.556 18.708 -0.218 1.00 0.00 H new ATOM 486 N GLY A 36 6.301 14.364 1.298 1.00 0.00 N ATOM 487 CA GLY A 36 7.326 13.683 2.068 1.00 0.00 C ATOM 488 C GLY A 36 8.156 12.739 1.222 1.00 0.00 C ATOM 489 O GLY A 36 7.771 12.393 0.105 1.00 0.00 O ATOM 0 H GLY A 36 5.997 13.870 0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.980 14.422 2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.856 13.123 2.877 1.00 0.00 H new ATOM 493 N VAL A 37 9.301 12.322 1.754 1.00 0.00 N ATOM 494 CA VAL A 37 10.189 11.412 1.039 1.00 0.00 C ATOM 495 C VAL A 37 10.353 10.098 1.795 1.00 0.00 C ATOM 496 O VAL A 37 10.788 10.083 2.946 1.00 0.00 O ATOM 497 CB VAL A 37 11.577 12.041 0.818 1.00 0.00 C ATOM 498 CG1 VAL A 37 12.506 11.056 0.125 1.00 0.00 C ATOM 499 CG2 VAL A 37 11.456 13.328 0.015 1.00 0.00 C ATOM 0 H VAL A 37 9.635 12.600 2.677 1.00 0.00 H new ATOM 0 HA VAL A 37 9.729 11.216 0.071 1.00 0.00 H new ATOM 0 HB VAL A 37 12.006 12.285 1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.482 11.518 -0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.617 10.164 0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.086 10.778 -0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.446 13.760 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.007 13.111 -0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.828 14.036 0.555 1.00 0.00 H new ATOM 509 N MET A 38 10.003 8.997 1.139 1.00 0.00 N ATOM 510 CA MET A 38 10.113 7.677 1.749 1.00 0.00 C ATOM 511 C MET A 38 11.452 7.030 1.407 1.00 0.00 C ATOM 512 O MET A 38 11.889 7.059 0.257 1.00 0.00 O ATOM 513 CB MET A 38 8.966 6.779 1.283 1.00 0.00 C ATOM 514 CG MET A 38 9.019 5.375 1.863 1.00 0.00 C ATOM 515 SD MET A 38 7.438 4.515 1.747 1.00 0.00 S ATOM 516 CE MET A 38 6.403 5.571 2.757 1.00 0.00 C ATOM 0 H MET A 38 9.641 8.992 0.185 1.00 0.00 H new ATOM 0 HA MET A 38 10.053 7.798 2.831 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.018 7.242 1.559 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.985 6.715 0.195 1.00 0.00 H new ATOM 0 HG2 MET A 38 9.781 4.798 1.339 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.323 5.429 2.908 1.00 0.00 H new ATOM 0 HE1 MET A 38 5.504 5.028 3.048 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.951 5.871 3.650 1.00 0.00 H new ATOM 0 HE3 MET A 38 6.123 6.458 2.188 1.00 0.00 H new ATOM 526 N GLU A 39 12.097 6.448 2.413 1.00 0.00 N ATOM 527 CA GLU A 39 13.386 5.796 2.217 1.00 0.00 C ATOM 528 C GLU A 39 13.332 4.338 2.663 1.00 0.00 C ATOM 529 O GLU A 39 12.847 4.028 3.752 1.00 0.00 O ATOM 530 CB GLU A 39 14.480 6.537 2.988 1.00 0.00 C ATOM 531 CG GLU A 39 15.881 6.023 2.703 1.00 0.00 C ATOM 532 CD GLU A 39 16.894 6.488 3.731 1.00 0.00 C ATOM 533 OE1 GLU A 39 16.688 6.218 4.932 1.00 0.00 O ATOM 534 OE2 GLU A 39 17.894 7.122 3.333 1.00 0.00 O ATOM 0 H GLU A 39 11.748 6.415 3.371 1.00 0.00 H new ATOM 0 HA GLU A 39 13.620 5.823 1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.434 7.597 2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.281 6.451 4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.866 4.933 2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.193 6.358 1.714 1.00 0.00 H new ATOM 541 N LEU A 40 13.832 3.446 1.815 1.00 0.00 N ATOM 542 CA LEU A 40 13.841 2.020 2.121 1.00 0.00 C ATOM 543 C LEU A 40 15.226 1.569 2.574 1.00 0.00 C ATOM 544 O LEU A 40 16.174 1.553 1.788 1.00 0.00 O ATOM 545 CB LEU A 40 13.404 1.213 0.897 1.00 0.00 C ATOM 546 CG LEU A 40 11.896 1.034 0.715 1.00 0.00 C ATOM 547 CD1 LEU A 40 11.257 2.334 0.251 1.00 0.00 C ATOM 548 CD2 LEU A 40 11.608 -0.087 -0.273 1.00 0.00 C ATOM 0 H LEU A 40 14.237 3.685 0.910 1.00 0.00 H new ATOM 0 HA LEU A 40 13.138 1.844 2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.802 1.698 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.863 0.226 0.955 1.00 0.00 H new ATOM 0 HG LEU A 40 11.462 0.763 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.184 2.188 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.434 3.112 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.695 2.635 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.530 -0.201 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.055 0.154 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.032 -1.019 0.100 1.00 0.00 H new ATOM 560 N THR A 41 15.336 1.199 3.846 1.00 0.00 N ATOM 561 CA THR A 41 16.604 0.746 4.403 1.00 0.00 C ATOM 562 C THR A 41 16.448 -0.599 5.104 1.00 0.00 C ATOM 563 O THR A 41 15.459 -0.836 5.796 1.00 0.00 O ATOM 564 CB THR A 41 17.176 1.769 5.403 1.00 0.00 C ATOM 565 OG1 THR A 41 16.199 2.076 6.403 1.00 0.00 O ATOM 566 CG2 THR A 41 17.597 3.045 4.690 1.00 0.00 C ATOM 0 H THR A 41 14.562 1.204 4.510 1.00 0.00 H new ATOM 0 HA THR A 41 17.296 0.639 3.567 1.00 0.00 H new ATOM 0 HB THR A 41 18.054 1.329 5.876 1.00 0.00 H new ATOM 0 HG1 THR A 41 15.393 1.540 6.249 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.998 3.752 5.416 1.00 0.00 H new ATOM 0 HG22 THR A 41 18.362 2.812 3.950 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.733 3.486 4.193 1.00 0.00 H new ATOM 574 N GLN A 42 17.431 -1.475 4.919 1.00 0.00 N ATOM 575 CA GLN A 42 17.401 -2.796 5.534 1.00 0.00 C ATOM 576 C GLN A 42 16.839 -2.725 6.951 1.00 0.00 C ATOM 577 O GLN A 42 16.190 -3.660 7.419 1.00 0.00 O ATOM 578 CB GLN A 42 18.805 -3.402 5.560 1.00 0.00 C ATOM 579 CG GLN A 42 19.359 -3.713 4.179 1.00 0.00 C ATOM 580 CD GLN A 42 20.080 -2.532 3.560 1.00 0.00 C ATOM 581 OE1 GLN A 42 20.497 -1.609 4.259 1.00 0.00 O ATOM 582 NE2 GLN A 42 20.231 -2.557 2.241 1.00 0.00 N ATOM 0 H GLN A 42 18.257 -1.293 4.349 1.00 0.00 H new ATOM 0 HA GLN A 42 16.749 -3.432 4.935 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.480 -2.712 6.066 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.785 -4.319 6.149 1.00 0.00 H new ATOM 0 HG2 GLN A 42 20.045 -4.557 4.249 1.00 0.00 H new ATOM 0 HG3 GLN A 42 18.543 -4.019 3.525 1.00 0.00 H new ATOM 0 HE21 GLN A 42 19.869 -3.343 1.701 1.00 0.00 H new ATOM 0 HE22 GLN A 42 20.709 -1.790 1.768 1.00 0.00 H new ATOM 591 N SER A 43 17.093 -1.609 7.627 1.00 0.00 N ATOM 592 CA SER A 43 16.616 -1.418 8.992 1.00 0.00 C ATOM 593 C SER A 43 15.093 -1.332 9.028 1.00 0.00 C ATOM 594 O SER A 43 14.424 -2.212 9.569 1.00 0.00 O ATOM 595 CB SER A 43 17.224 -0.149 9.594 1.00 0.00 C ATOM 596 OG SER A 43 18.629 -0.271 9.727 1.00 0.00 O ATOM 0 H SER A 43 17.626 -0.824 7.252 1.00 0.00 H new ATOM 0 HA SER A 43 16.928 -2.278 9.584 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.988 0.707 8.961 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.778 0.044 10.570 1.00 0.00 H new ATOM 0 HG SER A 43 18.994 0.553 10.112 1.00 0.00 H new ATOM 602 N GLU A 44 14.553 -0.265 8.448 1.00 0.00 N ATOM 603 CA GLU A 44 13.109 -0.063 8.414 1.00 0.00 C ATOM 604 C GLU A 44 12.743 1.104 7.501 1.00 0.00 C ATOM 605 O GLU A 44 13.610 1.699 6.859 1.00 0.00 O ATOM 606 CB GLU A 44 12.574 0.193 9.825 1.00 0.00 C ATOM 607 CG GLU A 44 13.438 1.141 10.640 1.00 0.00 C ATOM 608 CD GLU A 44 13.253 0.959 12.134 1.00 0.00 C ATOM 609 OE1 GLU A 44 12.090 0.873 12.581 1.00 0.00 O ATOM 610 OE2 GLU A 44 14.270 0.903 12.856 1.00 0.00 O ATOM 0 H GLU A 44 15.093 0.473 7.995 1.00 0.00 H new ATOM 0 HA GLU A 44 12.651 -0.969 8.018 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.567 0.603 9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.495 -0.758 10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.486 0.982 10.385 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.197 2.169 10.370 1.00 0.00 H new ATOM 617 N LEU A 45 11.455 1.424 7.447 1.00 0.00 N ATOM 618 CA LEU A 45 10.974 2.519 6.612 1.00 0.00 C ATOM 619 C LEU A 45 10.990 3.837 7.380 1.00 0.00 C ATOM 620 O LEU A 45 10.519 3.913 8.514 1.00 0.00 O ATOM 621 CB LEU A 45 9.557 2.223 6.116 1.00 0.00 C ATOM 622 CG LEU A 45 9.455 1.472 4.788 1.00 0.00 C ATOM 623 CD1 LEU A 45 8.060 0.895 4.607 1.00 0.00 C ATOM 624 CD2 LEU A 45 9.808 2.391 3.627 1.00 0.00 C ATOM 0 H LEU A 45 10.725 0.941 7.971 1.00 0.00 H new ATOM 0 HA LEU A 45 11.642 2.610 5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.040 1.642 6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.023 3.168 6.018 1.00 0.00 H new ATOM 0 HG LEU A 45 10.168 0.648 4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.006 0.364 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.844 0.204 5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.328 1.703 4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.730 1.840 2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.119 3.236 3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.828 2.756 3.749 1.00 0.00 H new ATOM 636 N VAL A 46 11.536 4.875 6.752 1.00 0.00 N ATOM 637 CA VAL A 46 11.611 6.191 7.374 1.00 0.00 C ATOM 638 C VAL A 46 11.107 7.276 6.429 1.00 0.00 C ATOM 639 O VAL A 46 11.405 7.260 5.234 1.00 0.00 O ATOM 640 CB VAL A 46 13.052 6.528 7.803 1.00 0.00 C ATOM 641 CG1 VAL A 46 13.116 7.918 8.416 1.00 0.00 C ATOM 642 CG2 VAL A 46 13.575 5.483 8.777 1.00 0.00 C ATOM 0 H VAL A 46 11.932 4.829 5.813 1.00 0.00 H new ATOM 0 HA VAL A 46 10.974 6.159 8.258 1.00 0.00 H new ATOM 0 HB VAL A 46 13.688 6.518 6.918 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.142 8.138 8.713 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.784 8.654 7.684 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.468 7.960 9.292 1.00 0.00 H new ATOM 0 HG21 VAL A 46 14.594 5.736 9.070 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.939 5.459 9.662 1.00 0.00 H new ATOM 0 HG23 VAL A 46 13.568 4.504 8.298 1.00 0.00 H new ATOM 652 N LEU A 47 10.343 8.217 6.971 1.00 0.00 N ATOM 653 CA LEU A 47 9.797 9.311 6.175 1.00 0.00 C ATOM 654 C LEU A 47 10.520 10.619 6.481 1.00 0.00 C ATOM 655 O LEU A 47 11.128 10.772 7.541 1.00 0.00 O ATOM 656 CB LEU A 47 8.300 9.468 6.446 1.00 0.00 C ATOM 657 CG LEU A 47 7.366 8.658 5.545 1.00 0.00 C ATOM 658 CD1 LEU A 47 5.929 8.766 6.031 1.00 0.00 C ATOM 659 CD2 LEU A 47 7.480 9.126 4.102 1.00 0.00 C ATOM 0 H LEU A 47 10.087 8.245 7.958 1.00 0.00 H new ATOM 0 HA LEU A 47 9.946 9.071 5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.107 9.187 7.481 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.042 10.523 6.348 1.00 0.00 H new ATOM 0 HG LEU A 47 7.665 7.611 5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.279 8.183 5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.859 8.382 7.049 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.617 9.810 6.015 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.809 8.539 3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.207 10.179 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.506 8.995 3.757 1.00 0.00 H new ATOM 671 N HIS A 48 10.448 11.562 5.546 1.00 0.00 N ATOM 672 CA HIS A 48 11.093 12.859 5.716 1.00 0.00 C ATOM 673 C HIS A 48 10.097 13.994 5.497 1.00 0.00 C ATOM 674 O HIS A 48 9.516 14.125 4.419 1.00 0.00 O ATOM 675 CB HIS A 48 12.266 12.999 4.746 1.00 0.00 C ATOM 676 CG HIS A 48 13.413 12.088 5.057 1.00 0.00 C ATOM 677 ND1 HIS A 48 14.217 12.241 6.167 1.00 0.00 N ATOM 678 CD2 HIS A 48 13.888 11.006 4.396 1.00 0.00 C ATOM 679 CE1 HIS A 48 15.138 11.294 6.174 1.00 0.00 C ATOM 680 NE2 HIS A 48 14.961 10.531 5.110 1.00 0.00 N ATOM 0 H HIS A 48 9.949 11.452 4.663 1.00 0.00 H new ATOM 0 HA HIS A 48 11.467 12.921 6.738 1.00 0.00 H new ATOM 0 HB2 HIS A 48 11.916 12.796 3.734 1.00 0.00 H new ATOM 0 HB3 HIS A 48 12.618 14.031 4.761 1.00 0.00 H new ATOM 0 HD2 HIS A 48 13.496 10.593 3.478 1.00 0.00 H new ATOM 0 HE1 HIS A 48 15.906 11.165 6.923 1.00 0.00 H new ATOM 0 HE2 HIS A 48 15.529 9.721 4.860 1.00 0.00 H new ATOM 689 N LEU A 49 9.904 14.811 6.526 1.00 0.00 N ATOM 690 CA LEU A 49 8.977 15.935 6.447 1.00 0.00 C ATOM 691 C LEU A 49 9.694 17.252 6.728 1.00 0.00 C ATOM 692 O LEU A 49 10.910 17.281 6.918 1.00 0.00 O ATOM 693 CB LEU A 49 7.828 15.745 7.438 1.00 0.00 C ATOM 694 CG LEU A 49 6.894 14.566 7.165 1.00 0.00 C ATOM 695 CD1 LEU A 49 5.981 14.321 8.356 1.00 0.00 C ATOM 696 CD2 LEU A 49 6.076 14.813 5.906 1.00 0.00 C ATOM 0 H LEU A 49 10.377 14.717 7.425 1.00 0.00 H new ATOM 0 HA LEU A 49 8.573 15.971 5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.251 15.624 8.435 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.233 16.658 7.453 1.00 0.00 H new ATOM 0 HG LEU A 49 7.502 13.675 7.010 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.323 13.478 8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.584 14.098 9.236 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.381 15.211 8.543 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.417 13.963 5.728 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.478 15.716 6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.746 14.937 5.055 1.00 0.00 H new ATOM 789 N ALA A 54 10.495 13.362 11.566 1.00 0.00 N ATOM 790 CA ALA A 54 10.583 12.131 10.789 1.00 0.00 C ATOM 791 C ALA A 54 9.942 10.965 11.534 1.00 0.00 C ATOM 792 O ALA A 54 9.917 10.940 12.764 1.00 0.00 O ATOM 793 CB ALA A 54 12.035 11.817 10.461 1.00 0.00 C ATOM 0 HA ALA A 54 10.036 12.278 9.858 1.00 0.00 H new ATOM 0 HB1 ALA A 54 12.086 10.896 9.881 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.462 12.635 9.881 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.599 11.695 11.386 1.00 0.00 H new ATOM 799 N VAL A 55 9.424 10.001 10.780 1.00 0.00 N ATOM 800 CA VAL A 55 8.783 8.831 11.369 1.00 0.00 C ATOM 801 C VAL A 55 9.457 7.544 10.907 1.00 0.00 C ATOM 802 O VAL A 55 10.059 7.497 9.834 1.00 0.00 O ATOM 803 CB VAL A 55 7.286 8.771 11.010 1.00 0.00 C ATOM 804 CG1 VAL A 55 6.612 7.611 11.725 1.00 0.00 C ATOM 805 CG2 VAL A 55 6.604 10.087 11.350 1.00 0.00 C ATOM 0 H VAL A 55 9.436 10.007 9.760 1.00 0.00 H new ATOM 0 HA VAL A 55 8.887 8.924 12.450 1.00 0.00 H new ATOM 0 HB VAL A 55 7.193 8.607 9.936 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.555 7.584 11.459 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.085 6.675 11.426 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.712 7.740 12.803 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.547 10.027 11.090 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.704 10.284 12.417 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.071 10.895 10.787 1.00 0.00 H new ATOM 815 N ARG A 56 9.351 6.501 11.723 1.00 0.00 N ATOM 816 CA ARG A 56 9.951 5.213 11.399 1.00 0.00 C ATOM 817 C ARG A 56 8.935 4.085 11.555 1.00 0.00 C ATOM 818 O ARG A 56 8.106 4.105 12.464 1.00 0.00 O ATOM 819 CB ARG A 56 11.162 4.950 12.296 1.00 0.00 C ATOM 820 CG ARG A 56 12.171 6.087 12.306 1.00 0.00 C ATOM 821 CD ARG A 56 12.959 6.122 13.606 1.00 0.00 C ATOM 822 NE ARG A 56 14.281 6.715 13.429 1.00 0.00 N ATOM 823 CZ ARG A 56 15.112 6.972 14.434 1.00 0.00 C ATOM 824 NH1 ARG A 56 14.758 6.688 15.680 1.00 0.00 N ATOM 825 NH2 ARG A 56 16.299 7.513 14.193 1.00 0.00 N ATOM 0 H ARG A 56 8.855 6.523 12.614 1.00 0.00 H new ATOM 0 HA ARG A 56 10.277 5.244 10.359 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.817 4.773 13.315 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.658 4.038 11.964 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.857 5.973 11.467 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.653 7.036 12.168 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.403 6.691 14.351 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.065 5.108 13.993 1.00 0.00 H new ATOM 0 HE ARG A 56 14.584 6.945 12.482 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.846 6.271 15.869 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.397 6.886 16.450 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.575 7.732 13.236 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.936 7.710 14.965 1.00 0.00 H new ATOM 839 N TRP A 57 9.007 3.104 10.662 1.00 0.00 N ATOM 840 CA TRP A 57 8.093 1.968 10.700 1.00 0.00 C ATOM 841 C TRP A 57 8.844 0.658 10.490 1.00 0.00 C ATOM 842 O TRP A 57 9.395 0.396 9.421 1.00 0.00 O ATOM 843 CB TRP A 57 7.007 2.125 9.634 1.00 0.00 C ATOM 844 CG TRP A 57 6.010 3.196 9.955 1.00 0.00 C ATOM 845 CD1 TRP A 57 4.961 3.106 10.825 1.00 0.00 C ATOM 846 CD2 TRP A 57 5.967 4.519 9.408 1.00 0.00 C ATOM 847 NE1 TRP A 57 4.268 4.292 10.851 1.00 0.00 N ATOM 848 CE2 TRP A 57 4.866 5.176 9.992 1.00 0.00 C ATOM 849 CE3 TRP A 57 6.752 5.213 8.484 1.00 0.00 C ATOM 850 CZ2 TRP A 57 4.532 6.491 9.680 1.00 0.00 C ATOM 851 CZ3 TRP A 57 6.420 6.518 8.175 1.00 0.00 C ATOM 852 CH2 TRP A 57 5.319 7.147 8.772 1.00 0.00 C ATOM 0 H TRP A 57 9.688 3.072 9.903 1.00 0.00 H new ATOM 0 HA TRP A 57 7.625 1.943 11.684 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.477 2.352 8.677 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.484 1.176 9.516 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.713 2.231 11.407 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.442 4.483 11.418 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.603 4.738 8.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.683 6.976 10.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 7.019 7.063 7.461 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.087 8.169 8.511 1.00 0.00 H new ATOM 863 N PRO A 58 8.867 -0.186 11.532 1.00 0.00 N ATOM 864 CA PRO A 58 9.547 -1.484 11.485 1.00 0.00 C ATOM 865 C PRO A 58 8.837 -2.477 10.571 1.00 0.00 C ATOM 866 O PRO A 58 7.621 -2.648 10.649 1.00 0.00 O ATOM 867 CB PRO A 58 9.497 -1.964 12.937 1.00 0.00 C ATOM 868 CG PRO A 58 8.314 -1.273 13.524 1.00 0.00 C ATOM 869 CD PRO A 58 8.231 0.062 12.837 1.00 0.00 C ATOM 0 HA PRO A 58 10.557 -1.401 11.084 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.390 -3.047 12.992 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.412 -1.706 13.471 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.404 -1.852 13.363 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.428 -1.151 14.601 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.198 0.393 12.724 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.754 0.836 13.398 1.00 0.00 H new ATOM 877 N TYR A 59 9.605 -3.130 9.705 1.00 0.00 N ATOM 878 CA TYR A 59 9.049 -4.105 8.775 1.00 0.00 C ATOM 879 C TYR A 59 8.159 -5.107 9.503 1.00 0.00 C ATOM 880 O TYR A 59 7.333 -5.783 8.889 1.00 0.00 O ATOM 881 CB TYR A 59 10.172 -4.841 8.043 1.00 0.00 C ATOM 882 CG TYR A 59 10.953 -3.962 7.092 1.00 0.00 C ATOM 883 CD1 TYR A 59 10.304 -3.065 6.252 1.00 0.00 C ATOM 884 CD2 TYR A 59 12.340 -4.028 7.034 1.00 0.00 C ATOM 885 CE1 TYR A 59 11.014 -2.261 5.381 1.00 0.00 C ATOM 886 CE2 TYR A 59 13.057 -3.227 6.167 1.00 0.00 C ATOM 887 CZ TYR A 59 12.390 -2.345 5.342 1.00 0.00 C ATOM 888 OH TYR A 59 13.100 -1.545 4.477 1.00 0.00 O ATOM 0 H TYR A 59 10.614 -3.001 9.628 1.00 0.00 H new ATOM 0 HA TYR A 59 8.441 -3.568 8.047 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.856 -5.265 8.778 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.746 -5.675 7.486 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.227 -2.995 6.281 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.866 -4.717 7.678 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.494 -1.570 4.734 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.135 -3.291 6.135 1.00 0.00 H new ATOM 0 HH TYR A 59 13.940 -1.270 4.901 1.00 0.00 H new ATOM 898 N LEU A 60 8.334 -5.197 10.817 1.00 0.00 N ATOM 899 CA LEU A 60 7.547 -6.116 11.632 1.00 0.00 C ATOM 900 C LEU A 60 6.128 -5.593 11.828 1.00 0.00 C ATOM 901 O LEU A 60 5.180 -6.100 11.228 1.00 0.00 O ATOM 902 CB LEU A 60 8.217 -6.326 12.991 1.00 0.00 C ATOM 903 CG LEU A 60 9.199 -7.494 13.082 1.00 0.00 C ATOM 904 CD1 LEU A 60 10.193 -7.269 14.211 1.00 0.00 C ATOM 905 CD2 LEU A 60 8.452 -8.805 13.281 1.00 0.00 C ATOM 0 H LEU A 60 9.014 -4.645 11.341 1.00 0.00 H new ATOM 0 HA LEU A 60 7.493 -7.071 11.108 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.746 -5.411 13.258 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.438 -6.473 13.739 1.00 0.00 H new ATOM 0 HG LEU A 60 9.752 -7.552 12.144 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.884 -8.111 14.261 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.751 -6.351 14.027 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.657 -7.184 15.156 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.167 -9.625 13.344 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.873 -8.757 14.203 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.780 -8.973 12.439 1.00 0.00 H new ATOM 917 N CYS A 61 5.990 -4.573 12.669 1.00 0.00 N ATOM 918 CA CYS A 61 4.686 -3.979 12.942 1.00 0.00 C ATOM 919 C CYS A 61 3.829 -3.944 11.681 1.00 0.00 C ATOM 920 O CYS A 61 2.620 -4.176 11.732 1.00 0.00 O ATOM 921 CB CYS A 61 4.854 -2.564 13.499 1.00 0.00 C ATOM 922 SG CYS A 61 5.623 -2.501 15.134 1.00 0.00 S ATOM 0 H CYS A 61 6.764 -4.141 13.173 1.00 0.00 H new ATOM 0 HA CYS A 61 4.181 -4.597 13.685 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.457 -1.980 12.803 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.875 -2.087 13.551 1.00 0.00 H new ATOM 0 HG CYS A 61 5.724 -1.263 15.519 1.00 0.00 H new ATOM 928 N LEU A 62 4.462 -3.652 10.550 1.00 0.00 N ATOM 929 CA LEU A 62 3.757 -3.585 9.275 1.00 0.00 C ATOM 930 C LEU A 62 2.739 -4.714 9.155 1.00 0.00 C ATOM 931 O LEU A 62 3.070 -5.819 8.725 1.00 0.00 O ATOM 932 CB LEU A 62 4.752 -3.655 8.115 1.00 0.00 C ATOM 933 CG LEU A 62 5.436 -2.340 7.737 1.00 0.00 C ATOM 934 CD1 LEU A 62 6.581 -2.593 6.769 1.00 0.00 C ATOM 935 CD2 LEU A 62 4.430 -1.371 7.134 1.00 0.00 C ATOM 0 H LEU A 62 5.462 -3.458 10.490 1.00 0.00 H new ATOM 0 HA LEU A 62 3.225 -2.635 9.232 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.523 -4.383 8.367 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.230 -4.035 7.237 1.00 0.00 H new ATOM 0 HG LEU A 62 5.845 -1.892 8.642 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.056 -1.646 6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.314 -3.251 7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.196 -3.064 5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.934 -0.441 6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.991 -1.812 6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.643 -1.165 7.860 1.00 0.00 H new ATOM 947 N ARG A 63 1.498 -4.428 9.536 1.00 0.00 N ATOM 948 CA ARG A 63 0.431 -5.420 9.471 1.00 0.00 C ATOM 949 C ARG A 63 0.227 -5.905 8.038 1.00 0.00 C ATOM 950 O ARG A 63 -0.068 -7.077 7.806 1.00 0.00 O ATOM 951 CB ARG A 63 -0.873 -4.833 10.012 1.00 0.00 C ATOM 952 CG ARG A 63 -0.899 -4.701 11.526 1.00 0.00 C ATOM 953 CD ARG A 63 -1.446 -5.957 12.186 1.00 0.00 C ATOM 954 NE ARG A 63 -2.906 -5.988 12.180 1.00 0.00 N ATOM 955 CZ ARG A 63 -3.622 -6.984 12.691 1.00 0.00 C ATOM 956 NH1 ARG A 63 -3.016 -8.024 13.245 1.00 0.00 N ATOM 957 NH2 ARG A 63 -4.947 -6.939 12.648 1.00 0.00 N ATOM 0 H ARG A 63 1.207 -3.518 9.893 1.00 0.00 H new ATOM 0 HA ARG A 63 0.722 -6.271 10.087 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.031 -3.851 9.567 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.704 -5.464 9.696 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.109 -4.506 11.893 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.512 -3.845 11.807 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.063 -6.835 11.667 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.087 -6.012 13.214 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.403 -5.202 11.761 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.997 -8.062 13.280 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.568 -8.787 13.636 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.417 -6.140 12.223 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.496 -7.704 13.040 1.00 0.00 H new ATOM 971 N ARG A 64 0.386 -4.995 7.083 1.00 0.00 N ATOM 972 CA ARG A 64 0.218 -5.330 5.674 1.00 0.00 C ATOM 973 C ARG A 64 0.763 -4.218 4.782 1.00 0.00 C ATOM 974 O ARG A 64 0.744 -3.044 5.154 1.00 0.00 O ATOM 975 CB ARG A 64 -1.259 -5.573 5.358 1.00 0.00 C ATOM 976 CG ARG A 64 -2.010 -4.317 4.950 1.00 0.00 C ATOM 977 CD ARG A 64 -3.450 -4.626 4.572 1.00 0.00 C ATOM 978 NE ARG A 64 -4.196 -5.206 5.686 1.00 0.00 N ATOM 979 CZ ARG A 64 -5.487 -5.509 5.628 1.00 0.00 C ATOM 980 NH1 ARG A 64 -6.173 -5.289 4.515 1.00 0.00 N ATOM 981 NH2 ARG A 64 -6.096 -6.033 6.684 1.00 0.00 N ATOM 0 H ARG A 64 0.631 -4.021 7.259 1.00 0.00 H new ATOM 0 HA ARG A 64 0.780 -6.242 5.474 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.334 -6.307 4.556 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.742 -6.007 6.233 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.994 -3.600 5.771 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.504 -3.847 4.106 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.943 -3.711 4.243 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.463 -5.316 3.728 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.697 -5.388 6.557 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.709 -4.886 3.701 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.165 -5.523 4.473 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.572 -6.204 7.542 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.088 -6.265 6.637 1.00 0.00 H new ATOM 995 N TYR A 65 1.247 -4.595 3.604 1.00 0.00 N ATOM 996 CA TYR A 65 1.800 -3.630 2.661 1.00 0.00 C ATOM 997 C TYR A 65 1.461 -4.017 1.224 1.00 0.00 C ATOM 998 O TYR A 65 1.909 -5.048 0.725 1.00 0.00 O ATOM 999 CB TYR A 65 3.317 -3.532 2.829 1.00 0.00 C ATOM 1000 CG TYR A 65 4.049 -4.811 2.489 1.00 0.00 C ATOM 1001 CD1 TYR A 65 4.224 -5.808 3.440 1.00 0.00 C ATOM 1002 CD2 TYR A 65 4.565 -5.021 1.216 1.00 0.00 C ATOM 1003 CE1 TYR A 65 4.892 -6.978 3.134 1.00 0.00 C ATOM 1004 CE2 TYR A 65 5.233 -6.189 0.900 1.00 0.00 C ATOM 1005 CZ TYR A 65 5.394 -7.164 1.863 1.00 0.00 C ATOM 1006 OH TYR A 65 6.060 -8.327 1.553 1.00 0.00 O ATOM 0 H TYR A 65 1.268 -5.562 3.279 1.00 0.00 H new ATOM 0 HA TYR A 65 1.354 -2.658 2.872 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.693 -2.729 2.195 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.543 -3.257 3.859 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.831 -5.666 4.436 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.442 -4.259 0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.020 -7.743 3.886 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.627 -6.338 -0.095 1.00 0.00 H new ATOM 0 HH TYR A 65 5.410 -9.036 1.366 1.00 0.00 H new ATOM 1016 N GLY A 66 0.665 -3.181 0.565 1.00 0.00 N ATOM 1017 CA GLY A 66 0.279 -3.451 -0.808 1.00 0.00 C ATOM 1018 C GLY A 66 0.793 -2.400 -1.772 1.00 0.00 C ATOM 1019 O GLY A 66 1.717 -1.653 -1.452 1.00 0.00 O ATOM 0 H GLY A 66 0.280 -2.322 0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.660 -4.428 -1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.808 -3.499 -0.874 1.00 0.00 H new ATOM 1023 N TYR A 67 0.194 -2.343 -2.956 1.00 0.00 N ATOM 1024 CA TYR A 67 0.599 -1.379 -3.972 1.00 0.00 C ATOM 1025 C TYR A 67 -0.488 -1.213 -5.030 1.00 0.00 C ATOM 1026 O TYR A 67 -1.369 -2.062 -5.169 1.00 0.00 O ATOM 1027 CB TYR A 67 1.906 -1.822 -4.633 1.00 0.00 C ATOM 1028 CG TYR A 67 1.708 -2.779 -5.785 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.065 -3.997 -5.600 1.00 0.00 C ATOM 1030 CD2 TYR A 67 2.162 -2.466 -7.061 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.883 -4.876 -6.651 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.983 -3.337 -8.117 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.343 -4.541 -7.907 1.00 0.00 C ATOM 1034 OH TYR A 67 1.162 -5.413 -8.957 1.00 0.00 O ATOM 0 H TYR A 67 -0.574 -2.953 -3.236 1.00 0.00 H new ATOM 0 HA TYR A 67 0.754 -0.417 -3.483 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.439 -0.941 -4.991 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.540 -2.295 -3.883 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.701 -4.261 -4.618 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.664 -1.525 -7.229 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.383 -5.820 -6.489 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.342 -3.077 -9.102 1.00 0.00 H new ATOM 0 HH TYR A 67 1.543 -5.026 -9.773 1.00 0.00 H new ATOM 1044 N ASP A 68 -0.417 -0.115 -5.774 1.00 0.00 N ATOM 1045 CA ASP A 68 -1.393 0.163 -6.821 1.00 0.00 C ATOM 1046 C ASP A 68 -0.771 1.000 -7.935 1.00 0.00 C ATOM 1047 O ASP A 68 0.314 1.558 -7.773 1.00 0.00 O ATOM 1048 CB ASP A 68 -2.607 0.888 -6.238 1.00 0.00 C ATOM 1049 CG ASP A 68 -3.671 -0.070 -5.741 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -3.532 -1.288 -5.982 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -4.642 0.397 -5.110 1.00 0.00 O ATOM 0 H ASP A 68 0.306 0.597 -5.672 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.717 -0.788 -7.243 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.285 1.526 -5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.036 1.540 -6.998 1.00 0.00 H new ATOM 1056 N SER A 69 -1.466 1.081 -9.065 1.00 0.00 N ATOM 1057 CA SER A 69 -0.980 1.846 -10.208 1.00 0.00 C ATOM 1058 C SER A 69 -0.261 3.111 -9.748 1.00 0.00 C ATOM 1059 O SER A 69 0.960 3.216 -9.852 1.00 0.00 O ATOM 1060 CB SER A 69 -2.141 2.214 -11.134 1.00 0.00 C ATOM 1061 OG SER A 69 -2.496 1.122 -11.965 1.00 0.00 O ATOM 0 H SER A 69 -2.367 0.627 -9.214 1.00 0.00 H new ATOM 0 HA SER A 69 -0.272 1.224 -10.755 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.003 2.518 -10.539 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.862 3.069 -11.750 1.00 0.00 H new ATOM 0 HG SER A 69 -3.241 1.382 -12.546 1.00 0.00 H new ATOM 1067 N ASN A 70 -1.029 4.069 -9.241 1.00 0.00 N ATOM 1068 CA ASN A 70 -0.467 5.328 -8.765 1.00 0.00 C ATOM 1069 C ASN A 70 -0.852 5.582 -7.311 1.00 0.00 C ATOM 1070 O ASN A 70 -1.110 6.719 -6.915 1.00 0.00 O ATOM 1071 CB ASN A 70 -0.947 6.488 -9.641 1.00 0.00 C ATOM 1072 CG ASN A 70 -2.436 6.737 -9.505 1.00 0.00 C ATOM 1073 OD1 ASN A 70 -3.255 5.933 -9.951 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -2.794 7.856 -8.886 1.00 0.00 N ATOM 0 H ASN A 70 -2.042 3.998 -9.149 1.00 0.00 H new ATOM 0 HA ASN A 70 0.619 5.258 -8.827 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.404 7.393 -9.370 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.711 6.274 -10.683 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.782 8.078 -8.764 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.081 8.494 -8.532 1.00 0.00 H new ATOM 1081 N LEU A 71 -0.887 4.515 -6.520 1.00 0.00 N ATOM 1082 CA LEU A 71 -1.239 4.621 -5.108 1.00 0.00 C ATOM 1083 C LEU A 71 -0.479 3.591 -4.279 1.00 0.00 C ATOM 1084 O LEU A 71 -0.319 2.442 -4.691 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.746 4.431 -4.923 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.326 4.921 -3.596 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -2.924 3.991 -2.461 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -2.870 6.344 -3.308 1.00 0.00 C ATOM 0 H LEU A 71 -0.676 3.567 -6.832 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.959 5.616 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.259 4.948 -5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.974 3.370 -5.026 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.413 4.917 -3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.346 4.356 -1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.300 2.988 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.837 3.962 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.292 6.677 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.782 6.373 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.209 7.003 -4.107 1.00 0.00 H new ATOM 1100 N PHE A 72 -0.014 4.010 -3.106 1.00 0.00 N ATOM 1101 CA PHE A 72 0.728 3.124 -2.217 1.00 0.00 C ATOM 1102 C PHE A 72 0.436 3.450 -0.756 1.00 0.00 C ATOM 1103 O PHE A 72 0.660 4.573 -0.303 1.00 0.00 O ATOM 1104 CB PHE A 72 2.230 3.237 -2.487 1.00 0.00 C ATOM 1105 CG PHE A 72 3.081 2.638 -1.404 1.00 0.00 C ATOM 1106 CD1 PHE A 72 3.237 1.265 -1.308 1.00 0.00 C ATOM 1107 CD2 PHE A 72 3.724 3.448 -0.482 1.00 0.00 C ATOM 1108 CE1 PHE A 72 4.019 0.711 -0.311 1.00 0.00 C ATOM 1109 CE2 PHE A 72 4.507 2.900 0.517 1.00 0.00 C ATOM 1110 CZ PHE A 72 4.655 1.529 0.601 1.00 0.00 C ATOM 0 H PHE A 72 -0.138 4.958 -2.749 1.00 0.00 H new ATOM 0 HA PHE A 72 0.407 2.101 -2.413 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.459 2.745 -3.432 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.492 4.289 -2.604 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.743 0.620 -2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.612 4.520 -0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.132 -0.361 -0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.002 3.542 1.230 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.267 1.098 1.379 1.00 0.00 H new ATOM 1120 N SER A 73 -0.065 2.461 -0.023 1.00 0.00 N ATOM 1121 CA SER A 73 -0.393 2.643 1.386 1.00 0.00 C ATOM 1122 C SER A 73 0.083 1.452 2.212 1.00 0.00 C ATOM 1123 O SER A 73 0.324 0.368 1.680 1.00 0.00 O ATOM 1124 CB SER A 73 -1.901 2.829 1.561 1.00 0.00 C ATOM 1125 OG SER A 73 -2.226 3.119 2.909 1.00 0.00 O ATOM 0 H SER A 73 -0.253 1.525 -0.382 1.00 0.00 H new ATOM 0 HA SER A 73 0.119 3.537 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.248 3.638 0.918 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.421 1.925 1.245 1.00 0.00 H new ATOM 0 HG SER A 73 -1.418 3.402 3.387 1.00 0.00 H new ATOM 1131 N PHE A 74 0.217 1.661 3.518 1.00 0.00 N ATOM 1132 CA PHE A 74 0.665 0.606 4.419 1.00 0.00 C ATOM 1133 C PHE A 74 0.029 0.762 5.798 1.00 0.00 C ATOM 1134 O PHE A 74 -0.262 1.875 6.235 1.00 0.00 O ATOM 1135 CB PHE A 74 2.190 0.626 4.544 1.00 0.00 C ATOM 1136 CG PHE A 74 2.717 1.836 5.261 1.00 0.00 C ATOM 1137 CD1 PHE A 74 2.488 2.009 6.616 1.00 0.00 C ATOM 1138 CD2 PHE A 74 3.441 2.801 4.579 1.00 0.00 C ATOM 1139 CE1 PHE A 74 2.972 3.122 7.279 1.00 0.00 C ATOM 1140 CE2 PHE A 74 3.928 3.915 5.237 1.00 0.00 C ATOM 1141 CZ PHE A 74 3.692 4.076 6.588 1.00 0.00 C ATOM 0 H PHE A 74 0.022 2.551 3.975 1.00 0.00 H new ATOM 0 HA PHE A 74 0.354 -0.351 4.000 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.515 -0.270 5.073 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.629 0.584 3.547 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.925 1.266 7.161 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.627 2.681 3.522 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.787 3.245 8.336 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.493 4.659 4.695 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.070 4.947 7.103 1.00 0.00 H new ATOM 1151 N GLU A 75 -0.184 -0.361 6.475 1.00 0.00 N ATOM 1152 CA GLU A 75 -0.787 -0.350 7.803 1.00 0.00 C ATOM 1153 C GLU A 75 0.258 -0.633 8.878 1.00 0.00 C ATOM 1154 O GLU A 75 1.367 -1.077 8.579 1.00 0.00 O ATOM 1155 CB GLU A 75 -1.913 -1.383 7.885 1.00 0.00 C ATOM 1156 CG GLU A 75 -2.795 -1.225 9.112 1.00 0.00 C ATOM 1157 CD GLU A 75 -4.090 -2.007 9.004 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -4.613 -2.136 7.878 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -4.580 -2.489 10.047 1.00 0.00 O ATOM 0 H GLU A 75 0.052 -1.290 6.126 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.202 0.643 7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.532 -1.306 6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.478 -2.383 7.887 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.247 -1.557 9.994 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.023 -0.169 9.257 1.00 0.00 H new ATOM 1166 N SER A 76 -0.103 -0.372 10.130 1.00 0.00 N ATOM 1167 CA SER A 76 0.804 -0.594 11.249 1.00 0.00 C ATOM 1168 C SER A 76 0.030 -0.970 12.509 1.00 0.00 C ATOM 1169 O SER A 76 -1.134 -0.605 12.668 1.00 0.00 O ATOM 1170 CB SER A 76 1.645 0.657 11.508 1.00 0.00 C ATOM 1171 OG SER A 76 2.400 1.011 10.362 1.00 0.00 O ATOM 0 H SER A 76 -1.018 -0.006 10.395 1.00 0.00 H new ATOM 0 HA SER A 76 1.466 -1.420 10.989 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.994 1.485 11.788 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.316 0.480 12.349 1.00 0.00 H new ATOM 0 HG SER A 76 3.118 1.626 10.620 1.00 0.00 H new ATOM 1177 N GLY A 77 0.687 -1.703 13.404 1.00 0.00 N ATOM 1178 CA GLY A 77 0.047 -2.117 14.638 1.00 0.00 C ATOM 1179 C GLY A 77 -0.270 -0.946 15.548 1.00 0.00 C ATOM 1180 O GLY A 77 -0.567 0.152 15.077 1.00 0.00 O ATOM 0 H GLY A 77 1.651 -2.017 13.295 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.874 -2.651 14.405 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.697 -2.816 15.164 1.00 0.00 H new ATOM 1184 N ARG A 78 -0.209 -1.181 16.854 1.00 0.00 N ATOM 1185 CA ARG A 78 -0.494 -0.138 17.832 1.00 0.00 C ATOM 1186 C ARG A 78 0.758 0.220 18.627 1.00 0.00 C ATOM 1187 O ARG A 78 0.902 1.346 19.104 1.00 0.00 O ATOM 1188 CB ARG A 78 -1.603 -0.590 18.784 1.00 0.00 C ATOM 1189 CG ARG A 78 -1.101 -1.428 19.949 1.00 0.00 C ATOM 1190 CD ARG A 78 -0.676 -0.556 21.119 1.00 0.00 C ATOM 1191 NE ARG A 78 -0.684 -1.291 22.381 1.00 0.00 N ATOM 1192 CZ ARG A 78 -0.538 -0.714 23.569 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -0.375 0.599 23.656 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -0.556 -1.450 24.672 1.00 0.00 N ATOM 0 H ARG A 78 0.035 -2.084 17.260 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.827 0.749 17.292 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.116 0.289 19.174 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.339 -1.166 18.223 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.885 -2.113 20.270 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.258 -2.038 19.623 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.324 -0.164 20.934 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.345 0.301 21.194 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.809 -2.303 22.349 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.362 1.168 22.810 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.263 1.040 24.569 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.682 -2.460 24.609 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.444 -1.006 25.583 1.00 0.00 H new ATOM 1208 N ARG A 79 1.661 -0.745 18.765 1.00 0.00 N ATOM 1209 CA ARG A 79 2.900 -0.532 19.503 1.00 0.00 C ATOM 1210 C ARG A 79 3.787 0.487 18.794 1.00 0.00 C ATOM 1211 O ARG A 79 4.744 1.001 19.374 1.00 0.00 O ATOM 1212 CB ARG A 79 3.654 -1.853 19.667 1.00 0.00 C ATOM 1213 CG ARG A 79 4.007 -2.521 18.348 1.00 0.00 C ATOM 1214 CD ARG A 79 4.082 -4.033 18.491 1.00 0.00 C ATOM 1215 NE ARG A 79 2.761 -4.634 18.649 1.00 0.00 N ATOM 1216 CZ ARG A 79 2.552 -5.944 18.715 1.00 0.00 C ATOM 1217 NH1 ARG A 79 3.574 -6.786 18.638 1.00 0.00 N ATOM 1218 NH2 ARG A 79 1.320 -6.415 18.860 1.00 0.00 N ATOM 0 H ARG A 79 1.558 -1.682 18.375 1.00 0.00 H new ATOM 0 HA ARG A 79 2.644 -0.142 20.488 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.570 -1.671 20.229 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.047 -2.537 20.260 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.261 -2.262 17.597 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.964 -2.140 17.991 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.570 -4.456 17.613 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.700 -4.285 19.352 1.00 0.00 H new ATOM 0 HE ARG A 79 1.954 -4.014 18.712 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.523 -6.428 18.528 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.411 -7.792 18.689 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.532 -5.771 18.921 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.161 -7.421 18.910 1.00 0.00 H new ATOM 1232 N CYS A 80 3.462 0.775 17.539 1.00 0.00 N ATOM 1233 CA CYS A 80 4.230 1.732 16.750 1.00 0.00 C ATOM 1234 C CYS A 80 4.064 3.145 17.298 1.00 0.00 C ATOM 1235 O CYS A 80 3.142 3.418 18.066 1.00 0.00 O ATOM 1236 CB CYS A 80 3.792 1.685 15.285 1.00 0.00 C ATOM 1237 SG CYS A 80 2.002 1.783 15.047 1.00 0.00 S ATOM 0 H CYS A 80 2.672 0.360 17.046 1.00 0.00 H new ATOM 0 HA CYS A 80 5.283 1.458 16.816 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.265 2.508 14.749 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.157 0.761 14.837 1.00 0.00 H new ATOM 0 HG CYS A 80 1.746 2.160 13.829 1.00 0.00 H new ATOM 1243 N GLN A 81 4.963 4.039 16.900 1.00 0.00 N ATOM 1244 CA GLN A 81 4.917 5.423 17.354 1.00 0.00 C ATOM 1245 C GLN A 81 3.601 6.084 16.955 1.00 0.00 C ATOM 1246 O GLN A 81 2.789 6.440 17.808 1.00 0.00 O ATOM 1247 CB GLN A 81 6.093 6.212 16.774 1.00 0.00 C ATOM 1248 CG GLN A 81 5.871 7.715 16.763 1.00 0.00 C ATOM 1249 CD GLN A 81 7.170 8.497 16.741 1.00 0.00 C ATOM 1250 OE1 GLN A 81 8.096 8.206 17.498 1.00 0.00 O ATOM 1251 NE2 GLN A 81 7.245 9.497 15.870 1.00 0.00 N ATOM 0 H GLN A 81 5.732 3.829 16.264 1.00 0.00 H new ATOM 0 HA GLN A 81 4.988 5.424 18.442 1.00 0.00 H new ATOM 0 HB2 GLN A 81 6.989 5.990 17.353 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.280 5.873 15.755 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.275 7.984 15.891 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.295 8.000 17.643 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.453 9.704 15.261 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.094 10.058 15.810 1.00 0.00 H new ATOM 1260 N THR A 82 3.397 6.245 15.651 1.00 0.00 N ATOM 1261 CA THR A 82 2.181 6.863 15.138 1.00 0.00 C ATOM 1262 C THR A 82 0.940 6.230 15.756 1.00 0.00 C ATOM 1263 O THR A 82 -0.069 6.900 15.973 1.00 0.00 O ATOM 1264 CB THR A 82 2.095 6.746 13.605 1.00 0.00 C ATOM 1265 OG1 THR A 82 2.147 5.369 13.215 1.00 0.00 O ATOM 1266 CG2 THR A 82 3.228 7.511 12.939 1.00 0.00 C ATOM 0 H THR A 82 4.059 5.956 14.931 1.00 0.00 H new ATOM 0 HA THR A 82 2.222 7.917 15.412 1.00 0.00 H new ATOM 0 HB THR A 82 1.148 7.179 13.282 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.457 5.194 12.541 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.146 7.413 11.856 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.167 8.564 13.214 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.184 7.105 13.268 1.00 0.00 H new ATOM 1274 N GLY A 83 1.020 4.933 16.038 1.00 0.00 N ATOM 1275 CA GLY A 83 -0.104 4.231 16.628 1.00 0.00 C ATOM 1276 C GLY A 83 -0.996 3.585 15.587 1.00 0.00 C ATOM 1277 O GLY A 83 -0.756 3.718 14.387 1.00 0.00 O ATOM 0 H GLY A 83 1.844 4.356 15.868 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.267 3.465 17.309 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.692 4.929 17.223 1.00 0.00 H new ATOM 1281 N GLN A 84 -2.026 2.882 16.047 1.00 0.00 N ATOM 1282 CA GLN A 84 -2.955 2.211 15.145 1.00 0.00 C ATOM 1283 C GLN A 84 -3.472 3.173 14.081 1.00 0.00 C ATOM 1284 O GLN A 84 -3.632 4.366 14.333 1.00 0.00 O ATOM 1285 CB GLN A 84 -4.129 1.624 15.932 1.00 0.00 C ATOM 1286 CG GLN A 84 -4.814 2.631 16.843 1.00 0.00 C ATOM 1287 CD GLN A 84 -6.276 2.305 17.076 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -6.771 1.267 16.637 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -6.977 3.194 17.771 1.00 0.00 N ATOM 0 H GLN A 84 -2.238 2.762 17.037 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.419 1.403 14.648 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.861 1.223 15.231 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.771 0.788 16.532 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.295 2.661 17.801 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.733 3.626 16.405 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.526 4.041 18.116 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.966 3.029 17.959 1.00 0.00 H new ATOM 1298 N GLY A 85 -3.730 2.645 12.888 1.00 0.00 N ATOM 1299 CA GLY A 85 -4.225 3.472 11.803 1.00 0.00 C ATOM 1300 C GLY A 85 -3.484 3.228 10.503 1.00 0.00 C ATOM 1301 O GLY A 85 -2.301 2.883 10.511 1.00 0.00 O ATOM 0 H GLY A 85 -3.605 1.660 12.654 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.287 3.274 11.655 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.132 4.522 12.079 1.00 0.00 H new ATOM 1305 N ILE A 86 -4.179 3.405 9.385 1.00 0.00 N ATOM 1306 CA ILE A 86 -3.578 3.201 8.072 1.00 0.00 C ATOM 1307 C ILE A 86 -3.150 4.526 7.452 1.00 0.00 C ATOM 1308 O ILE A 86 -3.775 5.562 7.680 1.00 0.00 O ATOM 1309 CB ILE A 86 -4.550 2.489 7.113 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -4.774 1.042 7.560 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -4.016 2.532 5.689 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -5.967 0.385 6.903 1.00 0.00 C ATOM 0 H ILE A 86 -5.158 3.689 9.361 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.701 2.572 8.221 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.507 3.010 7.137 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.880 0.459 7.338 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.908 1.021 8.642 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.714 2.025 5.023 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.903 3.569 5.374 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.048 2.033 5.648 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.065 -0.638 7.266 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.870 0.945 7.146 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.827 0.374 5.822 1.00 0.00 H new ATOM 1324 N PHE A 87 -2.080 4.487 6.665 1.00 0.00 N ATOM 1325 CA PHE A 87 -1.567 5.685 6.010 1.00 0.00 C ATOM 1326 C PHE A 87 -1.269 5.415 4.539 1.00 0.00 C ATOM 1327 O PHE A 87 -0.508 4.507 4.205 1.00 0.00 O ATOM 1328 CB PHE A 87 -0.302 6.176 6.717 1.00 0.00 C ATOM 1329 CG PHE A 87 -0.395 6.130 8.215 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -0.047 4.983 8.909 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -0.832 7.234 8.929 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -0.133 4.938 10.288 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -0.919 7.195 10.308 1.00 0.00 C ATOM 1334 CZ PHE A 87 -0.568 6.045 10.988 1.00 0.00 C ATOM 0 H PHE A 87 -1.551 3.638 6.465 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.332 6.459 6.071 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.543 5.568 6.395 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.096 7.200 6.405 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.295 4.114 8.367 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.108 8.135 8.402 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.140 4.037 10.817 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.261 8.062 10.853 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.634 6.012 12.065 1.00 0.00 H new ATOM 1344 N ALA A 88 -1.875 6.209 3.663 1.00 0.00 N ATOM 1345 CA ALA A 88 -1.675 6.058 2.227 1.00 0.00 C ATOM 1346 C ALA A 88 -0.819 7.191 1.670 1.00 0.00 C ATOM 1347 O ALA A 88 -0.694 8.249 2.286 1.00 0.00 O ATOM 1348 CB ALA A 88 -3.015 6.004 1.510 1.00 0.00 C ATOM 0 H ALA A 88 -2.509 6.964 3.923 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.146 5.120 2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.850 5.891 0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.592 5.156 1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.565 6.926 1.697 1.00 0.00 H new ATOM 1354 N PHE A 89 -0.231 6.961 0.500 1.00 0.00 N ATOM 1355 CA PHE A 89 0.614 7.963 -0.139 1.00 0.00 C ATOM 1356 C PHE A 89 0.560 7.830 -1.659 1.00 0.00 C ATOM 1357 O PHE A 89 0.485 6.725 -2.195 1.00 0.00 O ATOM 1358 CB PHE A 89 2.059 7.825 0.344 1.00 0.00 C ATOM 1359 CG PHE A 89 2.180 7.648 1.831 1.00 0.00 C ATOM 1360 CD1 PHE A 89 1.805 6.458 2.433 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.669 8.671 2.626 1.00 0.00 C ATOM 1362 CE1 PHE A 89 1.914 6.293 3.801 1.00 0.00 C ATOM 1363 CE2 PHE A 89 2.781 8.512 3.995 1.00 0.00 C ATOM 1364 CZ PHE A 89 2.403 7.321 4.582 1.00 0.00 C ATOM 0 H PHE A 89 -0.324 6.091 -0.024 1.00 0.00 H new ATOM 0 HA PHE A 89 0.238 8.948 0.136 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.520 6.972 -0.154 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.620 8.710 0.045 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.423 5.650 1.827 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.966 9.604 2.171 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.617 5.361 4.258 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.163 9.318 4.604 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.490 7.194 5.651 1.00 0.00 H new ATOM 1374 N LYS A 90 0.597 8.966 -2.347 1.00 0.00 N ATOM 1375 CA LYS A 90 0.552 8.980 -3.804 1.00 0.00 C ATOM 1376 C LYS A 90 1.959 9.019 -4.391 1.00 0.00 C ATOM 1377 O LYS A 90 2.832 9.729 -3.890 1.00 0.00 O ATOM 1378 CB LYS A 90 -0.252 10.185 -4.299 1.00 0.00 C ATOM 1379 CG LYS A 90 -1.733 9.898 -4.473 1.00 0.00 C ATOM 1380 CD LYS A 90 -2.453 11.064 -5.130 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.852 10.672 -5.581 1.00 0.00 C ATOM 1382 NZ LYS A 90 -4.720 10.294 -4.431 1.00 0.00 N ATOM 0 H LYS A 90 0.658 9.890 -1.918 1.00 0.00 H new ATOM 0 HA LYS A 90 0.064 8.064 -4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.130 11.007 -3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.159 10.519 -5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.862 9.001 -5.079 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.182 9.693 -3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.515 11.896 -4.429 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.877 11.412 -5.988 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.306 11.503 -6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.788 9.836 -6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.711 10.248 -4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.428 9.365 -4.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.628 11.005 -3.678 1.00 0.00 H new ATOM 1396 N CYS A 91 2.173 8.253 -5.455 1.00 0.00 N ATOM 1397 CA CYS A 91 3.475 8.200 -6.111 1.00 0.00 C ATOM 1398 C CYS A 91 3.348 7.651 -7.528 1.00 0.00 C ATOM 1399 O CYS A 91 2.274 7.214 -7.941 1.00 0.00 O ATOM 1400 CB CYS A 91 4.442 7.337 -5.301 1.00 0.00 C ATOM 1401 SG CYS A 91 3.645 6.002 -4.377 1.00 0.00 S ATOM 0 H CYS A 91 1.462 7.660 -5.882 1.00 0.00 H new ATOM 0 HA CYS A 91 3.867 9.215 -6.169 1.00 0.00 H new ATOM 0 HB2 CYS A 91 5.181 6.906 -5.977 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.983 7.975 -4.602 1.00 0.00 H new ATOM 0 HG CYS A 91 4.545 5.327 -3.726 1.00 0.00 H new ATOM 1407 N SER A 92 4.451 7.678 -8.269 1.00 0.00 N ATOM 1408 CA SER A 92 4.462 7.188 -9.642 1.00 0.00 C ATOM 1409 C SER A 92 5.259 5.891 -9.749 1.00 0.00 C ATOM 1410 O SER A 92 5.200 5.196 -10.764 1.00 0.00 O ATOM 1411 CB SER A 92 5.056 8.243 -10.578 1.00 0.00 C ATOM 1412 OG SER A 92 6.385 8.564 -10.206 1.00 0.00 O ATOM 0 H SER A 92 5.349 8.034 -7.941 1.00 0.00 H new ATOM 0 HA SER A 92 3.432 6.988 -9.939 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.041 7.874 -11.603 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.441 9.143 -10.554 1.00 0.00 H new ATOM 0 HG SER A 92 6.743 9.239 -10.820 1.00 0.00 H new ATOM 1418 N ARG A 93 6.002 5.571 -8.695 1.00 0.00 N ATOM 1419 CA ARG A 93 6.812 4.359 -8.670 1.00 0.00 C ATOM 1420 C ARG A 93 6.393 3.450 -7.519 1.00 0.00 C ATOM 1421 O ARG A 93 7.202 2.686 -6.992 1.00 0.00 O ATOM 1422 CB ARG A 93 8.294 4.713 -8.542 1.00 0.00 C ATOM 1423 CG ARG A 93 8.566 5.858 -7.580 1.00 0.00 C ATOM 1424 CD ARG A 93 10.000 6.352 -7.693 1.00 0.00 C ATOM 1425 NE ARG A 93 10.911 5.295 -8.122 1.00 0.00 N ATOM 1426 CZ ARG A 93 11.195 5.040 -9.394 1.00 0.00 C ATOM 1427 NH1 ARG A 93 10.641 5.763 -10.358 1.00 0.00 N ATOM 1428 NH2 ARG A 93 12.034 4.060 -9.705 1.00 0.00 N ATOM 0 H ARG A 93 6.060 6.134 -7.847 1.00 0.00 H new ATOM 0 HA ARG A 93 6.653 3.826 -9.607 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.842 3.832 -8.209 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.682 4.976 -9.526 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.880 6.679 -7.787 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.372 5.530 -6.559 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.044 7.178 -8.403 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.326 6.742 -6.729 1.00 0.00 H new ATOM 0 HE ARG A 93 11.354 4.720 -7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.995 6.517 -10.123 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.861 5.565 -11.334 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.462 3.501 -8.967 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.251 3.865 -10.682 1.00 0.00 H new ATOM 1442 N ALA A 94 5.124 3.538 -7.133 1.00 0.00 N ATOM 1443 CA ALA A 94 4.598 2.722 -6.045 1.00 0.00 C ATOM 1444 C ALA A 94 5.151 1.303 -6.106 1.00 0.00 C ATOM 1445 O ALA A 94 5.639 0.774 -5.108 1.00 0.00 O ATOM 1446 CB ALA A 94 3.077 2.701 -6.090 1.00 0.00 C ATOM 0 H ALA A 94 4.441 4.166 -7.557 1.00 0.00 H new ATOM 0 HA ALA A 94 4.917 3.167 -5.102 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.697 2.088 -5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.696 3.717 -5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.747 2.282 -7.041 1.00 0.00 H new ATOM 1452 N GLU A 95 5.070 0.691 -7.284 1.00 0.00 N ATOM 1453 CA GLU A 95 5.562 -0.668 -7.474 1.00 0.00 C ATOM 1454 C GLU A 95 7.012 -0.792 -7.015 1.00 0.00 C ATOM 1455 O GLU A 95 7.347 -1.659 -6.210 1.00 0.00 O ATOM 1456 CB GLU A 95 5.444 -1.077 -8.943 1.00 0.00 C ATOM 1457 CG GLU A 95 5.574 -2.574 -9.171 1.00 0.00 C ATOM 1458 CD GLU A 95 4.965 -3.018 -10.487 1.00 0.00 C ATOM 1459 OE1 GLU A 95 4.162 -2.252 -11.059 1.00 0.00 O ATOM 1460 OE2 GLU A 95 5.293 -4.133 -10.945 1.00 0.00 O ATOM 0 H GLU A 95 4.668 1.115 -8.120 1.00 0.00 H new ATOM 0 HA GLU A 95 4.949 -1.336 -6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.481 -0.742 -9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.214 -0.562 -9.518 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.628 -2.851 -9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.089 -3.106 -8.353 1.00 0.00 H new ATOM 1467 N GLU A 96 7.868 0.084 -7.534 1.00 0.00 N ATOM 1468 CA GLU A 96 9.282 0.072 -7.179 1.00 0.00 C ATOM 1469 C GLU A 96 9.466 -0.183 -5.686 1.00 0.00 C ATOM 1470 O GLU A 96 10.242 -1.051 -5.285 1.00 0.00 O ATOM 1471 CB GLU A 96 9.939 1.399 -7.565 1.00 0.00 C ATOM 1472 CG GLU A 96 9.834 1.721 -9.047 1.00 0.00 C ATOM 1473 CD GLU A 96 10.657 0.783 -9.908 1.00 0.00 C ATOM 1474 OE1 GLU A 96 11.868 1.041 -10.075 1.00 0.00 O ATOM 1475 OE2 GLU A 96 10.092 -0.208 -10.414 1.00 0.00 O ATOM 0 H GLU A 96 7.607 0.810 -8.201 1.00 0.00 H new ATOM 0 HA GLU A 96 9.762 -0.737 -7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.477 2.204 -6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.991 1.370 -7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.789 1.667 -9.354 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.163 2.746 -9.216 1.00 0.00 H new ATOM 1482 N ILE A 97 8.746 0.578 -4.869 1.00 0.00 N ATOM 1483 CA ILE A 97 8.829 0.434 -3.421 1.00 0.00 C ATOM 1484 C ILE A 97 8.240 -0.896 -2.965 1.00 0.00 C ATOM 1485 O ILE A 97 8.704 -1.494 -1.994 1.00 0.00 O ATOM 1486 CB ILE A 97 8.098 1.581 -2.698 1.00 0.00 C ATOM 1487 CG1 ILE A 97 8.577 2.934 -3.227 1.00 0.00 C ATOM 1488 CG2 ILE A 97 8.318 1.486 -1.196 1.00 0.00 C ATOM 1489 CD1 ILE A 97 7.517 4.012 -3.179 1.00 0.00 C ATOM 0 H ILE A 97 8.099 1.300 -5.185 1.00 0.00 H new ATOM 0 HA ILE A 97 9.887 0.467 -3.162 1.00 0.00 H new ATOM 0 HB ILE A 97 7.030 1.492 -2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.439 3.258 -2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.915 2.814 -4.256 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.795 2.303 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.933 0.534 -0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.384 1.553 -0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.927 4.943 -3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.663 3.710 -3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.196 4.161 -2.148 1.00 0.00 H new ATOM 1501 N PHE A 98 7.214 -1.356 -3.675 1.00 0.00 N ATOM 1502 CA PHE A 98 6.561 -2.617 -3.345 1.00 0.00 C ATOM 1503 C PHE A 98 7.401 -3.803 -3.809 1.00 0.00 C ATOM 1504 O PHE A 98 7.223 -4.926 -3.340 1.00 0.00 O ATOM 1505 CB PHE A 98 5.172 -2.679 -3.984 1.00 0.00 C ATOM 1506 CG PHE A 98 4.769 -4.063 -4.408 1.00 0.00 C ATOM 1507 CD1 PHE A 98 4.323 -4.985 -3.475 1.00 0.00 C ATOM 1508 CD2 PHE A 98 4.835 -4.441 -5.739 1.00 0.00 C ATOM 1509 CE1 PHE A 98 3.952 -6.258 -3.862 1.00 0.00 C ATOM 1510 CE2 PHE A 98 4.465 -5.714 -6.132 1.00 0.00 C ATOM 1511 CZ PHE A 98 4.022 -6.623 -5.192 1.00 0.00 C ATOM 0 H PHE A 98 6.818 -0.874 -4.482 1.00 0.00 H new ATOM 0 HA PHE A 98 6.457 -2.671 -2.261 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.437 -2.296 -3.276 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.150 -2.021 -4.852 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.265 -4.705 -2.433 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.179 -3.733 -6.478 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.607 -6.968 -3.125 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.522 -5.997 -7.173 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.731 -7.618 -5.496 1.00 0.00 H new ATOM 1521 N ASN A 99 8.317 -3.544 -4.737 1.00 0.00 N ATOM 1522 CA ASN A 99 9.185 -4.590 -5.267 1.00 0.00 C ATOM 1523 C ASN A 99 10.452 -4.723 -4.427 1.00 0.00 C ATOM 1524 O ASN A 99 11.089 -5.777 -4.408 1.00 0.00 O ATOM 1525 CB ASN A 99 9.553 -4.287 -6.721 1.00 0.00 C ATOM 1526 CG ASN A 99 8.569 -4.890 -7.704 1.00 0.00 C ATOM 1527 OD1 ASN A 99 7.997 -5.952 -7.455 1.00 0.00 O ATOM 1528 ND2 ASN A 99 8.366 -4.213 -8.828 1.00 0.00 N ATOM 0 H ASN A 99 8.477 -2.620 -5.137 1.00 0.00 H new ATOM 0 HA ASN A 99 8.642 -5.534 -5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.591 -3.207 -6.866 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.551 -4.672 -6.928 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.714 -4.569 -9.527 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.862 -3.337 -8.992 1.00 0.00 H new ATOM 1535 N LEU A 100 10.811 -3.649 -3.733 1.00 0.00 N ATOM 1536 CA LEU A 100 12.001 -3.645 -2.890 1.00 0.00 C ATOM 1537 C LEU A 100 11.646 -3.984 -1.445 1.00 0.00 C ATOM 1538 O LEU A 100 12.476 -4.498 -0.695 1.00 0.00 O ATOM 1539 CB LEU A 100 12.690 -2.281 -2.951 1.00 0.00 C ATOM 1540 CG LEU A 100 14.013 -2.162 -2.194 1.00 0.00 C ATOM 1541 CD1 LEU A 100 14.953 -3.294 -2.580 1.00 0.00 C ATOM 1542 CD2 LEU A 100 14.662 -0.812 -2.463 1.00 0.00 C ATOM 0 H LEU A 100 10.295 -2.769 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 100 12.684 -4.407 -3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.870 -2.034 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 100 12.002 -1.531 -2.560 1.00 0.00 H new ATOM 0 HG LEU A 100 13.806 -2.237 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.889 -3.193 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 100 14.491 -4.250 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 100 15.153 -3.251 -3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 100 15.602 -0.745 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 100 14.855 -0.707 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 100 13.994 -0.015 -2.135 1.00 0.00 H new ATOM 1554 N LEU A 101 10.408 -3.693 -1.062 1.00 0.00 N ATOM 1555 CA LEU A 101 9.941 -3.968 0.292 1.00 0.00 C ATOM 1556 C LEU A 101 10.078 -5.451 0.625 1.00 0.00 C ATOM 1557 O LEU A 101 10.771 -5.822 1.571 1.00 0.00 O ATOM 1558 CB LEU A 101 8.484 -3.531 0.449 1.00 0.00 C ATOM 1559 CG LEU A 101 8.261 -2.094 0.920 1.00 0.00 C ATOM 1560 CD1 LEU A 101 6.787 -1.730 0.845 1.00 0.00 C ATOM 1561 CD2 LEU A 101 8.786 -1.909 2.337 1.00 0.00 C ATOM 0 H LEU A 101 9.709 -3.266 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 101 10.561 -3.400 0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.982 -3.660 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.998 -4.203 1.156 1.00 0.00 H new ATOM 0 HG LEU A 101 8.813 -1.426 0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.648 -0.704 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.441 -1.822 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.213 -2.403 1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.619 -0.880 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.262 -2.587 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.854 -2.127 2.361 1.00 0.00 H new ATOM 1573 N GLN A 102 9.415 -6.292 -0.162 1.00 0.00 N ATOM 1574 CA GLN A 102 9.465 -7.734 0.048 1.00 0.00 C ATOM 1575 C GLN A 102 10.897 -8.249 -0.045 1.00 0.00 C ATOM 1576 O GLN A 102 11.222 -9.310 0.489 1.00 0.00 O ATOM 1577 CB GLN A 102 8.585 -8.451 -0.977 1.00 0.00 C ATOM 1578 CG GLN A 102 8.944 -8.128 -2.419 1.00 0.00 C ATOM 1579 CD GLN A 102 8.200 -8.996 -3.414 1.00 0.00 C ATOM 1580 OE1 GLN A 102 7.421 -9.870 -3.033 1.00 0.00 O ATOM 1581 NE2 GLN A 102 8.436 -8.758 -4.699 1.00 0.00 N ATOM 0 H GLN A 102 8.837 -6.000 -0.950 1.00 0.00 H new ATOM 0 HA GLN A 102 9.088 -7.943 1.049 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.666 -9.527 -0.823 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.544 -8.181 -0.801 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.721 -7.080 -2.619 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.017 -8.258 -2.560 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.090 -8.023 -4.970 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.964 -9.310 -5.415 1.00 0.00 H new ATOM 1590 N ASP A 103 11.750 -7.491 -0.726 1.00 0.00 N ATOM 1591 CA ASP A 103 13.149 -7.870 -0.888 1.00 0.00 C ATOM 1592 C ASP A 103 13.929 -7.633 0.401 1.00 0.00 C ATOM 1593 O ASP A 103 14.894 -8.341 0.694 1.00 0.00 O ATOM 1594 CB ASP A 103 13.783 -7.082 -2.035 1.00 0.00 C ATOM 1595 CG ASP A 103 13.617 -7.774 -3.374 1.00 0.00 C ATOM 1596 OD1 ASP A 103 12.487 -7.778 -3.904 1.00 0.00 O ATOM 1597 OD2 ASP A 103 14.618 -8.313 -3.892 1.00 0.00 O ATOM 0 H ASP A 103 11.497 -6.611 -1.175 1.00 0.00 H new ATOM 0 HA ASP A 103 13.187 -8.934 -1.124 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.333 -6.091 -2.083 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.844 -6.940 -1.832 1.00 0.00 H new ATOM 1602 N LEU A 104 13.507 -6.634 1.167 1.00 0.00 N ATOM 1603 CA LEU A 104 14.167 -6.302 2.425 1.00 0.00 C ATOM 1604 C LEU A 104 13.481 -6.994 3.598 1.00 0.00 C ATOM 1605 O LEU A 104 14.123 -7.341 4.589 1.00 0.00 O ATOM 1606 CB LEU A 104 14.166 -4.788 2.640 1.00 0.00 C ATOM 1607 CG LEU A 104 14.863 -3.956 1.563 1.00 0.00 C ATOM 1608 CD1 LEU A 104 14.612 -2.473 1.787 1.00 0.00 C ATOM 1609 CD2 LEU A 104 16.357 -4.250 1.546 1.00 0.00 C ATOM 0 H LEU A 104 12.710 -6.039 0.939 1.00 0.00 H new ATOM 0 HA LEU A 104 15.197 -6.654 2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 104 13.132 -4.453 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.641 -4.577 3.598 1.00 0.00 H new ATOM 0 HG LEU A 104 14.447 -4.231 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 104 15.116 -1.897 1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 104 13.541 -2.275 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.999 -2.182 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.837 -3.649 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.787 -4.004 2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.517 -5.307 1.335 1.00 0.00 H new ATOM 1621 N MET A 105 12.172 -7.194 3.478 1.00 0.00 N ATOM 1622 CA MET A 105 11.400 -7.848 4.528 1.00 0.00 C ATOM 1623 C MET A 105 11.698 -9.343 4.571 1.00 0.00 C ATOM 1624 O MET A 105 12.151 -9.866 5.589 1.00 0.00 O ATOM 1625 CB MET A 105 9.903 -7.621 4.307 1.00 0.00 C ATOM 1626 CG MET A 105 9.483 -6.166 4.442 1.00 0.00 C ATOM 1627 SD MET A 105 7.752 -5.901 4.016 1.00 0.00 S ATOM 1628 CE MET A 105 6.949 -6.389 5.542 1.00 0.00 C ATOM 0 H MET A 105 11.625 -6.913 2.665 1.00 0.00 H new ATOM 0 HA MET A 105 11.690 -7.410 5.483 1.00 0.00 H new ATOM 0 HB2 MET A 105 9.632 -7.978 3.313 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.343 -8.221 5.025 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.656 -5.835 5.466 1.00 0.00 H new ATOM 0 HG3 MET A 105 10.110 -5.550 3.798 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.062 -5.775 5.699 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.659 -7.438 5.481 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.637 -6.251 6.376 1.00 0.00 H new ATOM 2275 N PHE B 2 -2.170 11.212 7.538 1.00 0.00 N ATOM 2276 CA PHE B 2 -3.625 11.115 7.573 1.00 0.00 C ATOM 2277 C PHE B 2 -4.067 9.687 7.879 1.00 0.00 C ATOM 2278 O PHE B 2 -3.724 8.751 7.155 1.00 0.00 O ATOM 2279 CB PHE B 2 -4.221 11.571 6.240 1.00 0.00 C ATOM 2280 CG PHE B 2 -5.718 11.463 6.184 1.00 0.00 C ATOM 2281 CD1 PHE B 2 -6.330 10.234 5.998 1.00 0.00 C ATOM 2282 CD2 PHE B 2 -6.513 12.589 6.318 1.00 0.00 C ATOM 2283 CE1 PHE B 2 -7.707 10.131 5.945 1.00 0.00 C ATOM 2284 CE2 PHE B 2 -7.891 12.493 6.266 1.00 0.00 C ATOM 2285 CZ PHE B 2 -8.489 11.262 6.081 1.00 0.00 C ATOM 0 HA PHE B 2 -3.989 11.768 8.367 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -3.932 12.606 6.057 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -3.791 10.974 5.436 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -5.724 9.346 5.893 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -6.051 13.554 6.465 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -8.172 9.167 5.797 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -8.499 13.379 6.370 1.00 0.00 H new ATOM 0 HZ PHE B 2 -9.565 11.184 6.043 1.00 0.00 H new ATOM 2295 N ARG B 3 -4.830 9.527 8.955 1.00 0.00 N ATOM 2296 CA ARG B 3 -5.318 8.214 9.358 1.00 0.00 C ATOM 2297 C ARG B 3 -6.439 7.744 8.436 1.00 0.00 C ATOM 2298 O ARG B 3 -7.419 8.458 8.218 1.00 0.00 O ATOM 2299 CB ARG B 3 -5.815 8.253 10.804 1.00 0.00 C ATOM 2300 CG ARG B 3 -4.785 8.780 11.789 1.00 0.00 C ATOM 2301 CD ARG B 3 -5.376 8.944 13.180 1.00 0.00 C ATOM 2302 NE ARG B 3 -4.342 9.074 14.203 1.00 0.00 N ATOM 2303 CZ ARG B 3 -3.597 10.162 14.360 1.00 0.00 C ATOM 2304 NH1 ARG B 3 -3.771 11.209 13.566 1.00 0.00 N ATOM 2305 NH2 ARG B 3 -2.675 10.204 15.314 1.00 0.00 N ATOM 0 H ARG B 3 -5.124 10.291 9.564 1.00 0.00 H new ATOM 0 HA ARG B 3 -4.491 7.508 9.284 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -6.707 8.877 10.856 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -6.111 7.248 11.104 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -3.937 8.096 11.831 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -4.403 9.739 11.439 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -6.018 9.825 13.199 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -6.007 8.085 13.409 1.00 0.00 H new ATOM 0 HE ARG B 3 -4.183 8.286 14.831 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -4.479 11.180 12.832 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -3.197 12.043 13.689 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -2.538 9.400 15.927 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -2.103 11.040 15.434 1.00 0.00 H new ATOM 2319 N LEU B 4 -6.288 6.540 7.896 1.00 0.00 N ATOM 2320 CA LEU B 4 -7.287 5.974 6.996 1.00 0.00 C ATOM 2321 C LEU B 4 -8.179 4.978 7.730 1.00 0.00 C ATOM 2322 O LEU B 4 -7.992 4.721 8.919 1.00 0.00 O ATOM 2323 CB LEU B 4 -6.605 5.288 5.811 1.00 0.00 C ATOM 2324 CG LEU B 4 -6.316 6.173 4.598 1.00 0.00 C ATOM 2325 CD1 LEU B 4 -5.427 5.442 3.604 1.00 0.00 C ATOM 2326 CD2 LEU B 4 -7.614 6.611 3.936 1.00 0.00 C ATOM 0 H LEU B 4 -5.483 5.937 8.066 1.00 0.00 H new ATOM 0 HA LEU B 4 -7.910 6.789 6.627 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -5.663 4.861 6.157 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.232 4.457 5.488 1.00 0.00 H new ATOM 0 HG LEU B 4 -5.788 7.063 4.939 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -5.232 6.087 2.747 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -4.484 5.180 4.083 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -5.927 4.534 3.268 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.389 7.240 3.075 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.170 5.732 3.608 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.214 7.175 4.650 1.00 0.00 H new ATOM 2338 N ARG B 5 -9.149 4.419 7.013 1.00 0.00 N ATOM 2339 CA ARG B 5 -10.069 3.450 7.596 1.00 0.00 C ATOM 2340 C ARG B 5 -10.017 2.127 6.838 1.00 0.00 C ATOM 2341 O ARG B 5 -10.150 1.055 7.430 1.00 0.00 O ATOM 2342 CB ARG B 5 -11.496 4.001 7.585 1.00 0.00 C ATOM 2343 CG ARG B 5 -11.845 4.815 8.820 1.00 0.00 C ATOM 2344 CD ARG B 5 -12.431 3.939 9.917 1.00 0.00 C ATOM 2345 NE ARG B 5 -11.430 3.051 10.502 1.00 0.00 N ATOM 2346 CZ ARG B 5 -10.518 3.450 11.381 1.00 0.00 C ATOM 2347 NH1 ARG B 5 -10.480 4.715 11.775 1.00 0.00 N ATOM 2348 NH2 ARG B 5 -9.641 2.582 11.869 1.00 0.00 N ATOM 0 H ARG B 5 -9.318 4.621 6.028 1.00 0.00 H new ATOM 0 HA ARG B 5 -9.764 3.270 8.627 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -11.629 4.624 6.700 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -12.196 3.170 7.498 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -10.951 5.316 9.191 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -12.560 5.594 8.554 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -12.855 4.571 10.697 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -13.248 3.345 9.508 1.00 0.00 H new ATOM 0 HE ARG B 5 -11.431 2.071 10.220 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -11.153 5.385 11.403 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -9.778 5.018 12.450 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -9.667 1.607 11.569 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -8.941 2.889 12.544 1.00 0.00 H new ATOM 2362 N HIS B 6 -9.823 2.209 5.526 1.00 0.00 N ATOM 2363 CA HIS B 6 -9.753 1.018 4.687 1.00 0.00 C ATOM 2364 C HIS B 6 -8.437 0.971 3.918 1.00 0.00 C ATOM 2365 O HIS B 6 -7.637 1.905 3.978 1.00 0.00 O ATOM 2366 CB HIS B 6 -10.929 0.986 3.710 1.00 0.00 C ATOM 2367 CG HIS B 6 -12.223 0.576 4.344 1.00 0.00 C ATOM 2368 ND1 HIS B 6 -13.190 -0.149 3.679 1.00 0.00 N ATOM 2369 CD2 HIS B 6 -12.707 0.792 5.589 1.00 0.00 C ATOM 2370 CE1 HIS B 6 -14.213 -0.359 4.488 1.00 0.00 C ATOM 2371 NE2 HIS B 6 -13.945 0.201 5.654 1.00 0.00 N ATOM 0 H HIS B 6 -9.711 3.088 5.021 1.00 0.00 H new ATOM 0 HA HIS B 6 -9.806 0.144 5.336 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -11.049 1.974 3.266 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -10.697 0.297 2.898 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -12.212 1.329 6.384 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -15.115 -0.897 4.238 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -14.558 0.195 6.470 1.00 0.00 H new ATOM 2380 N PHE B 7 -8.217 -0.123 3.196 1.00 0.00 N ATOM 2381 CA PHE B 7 -6.996 -0.292 2.417 1.00 0.00 C ATOM 2382 C PHE B 7 -7.290 -0.214 0.922 1.00 0.00 C ATOM 2383 O PHE B 7 -7.938 -1.087 0.344 1.00 0.00 O ATOM 2384 CB PHE B 7 -6.336 -1.632 2.749 1.00 0.00 C ATOM 2385 CG PHE B 7 -4.844 -1.625 2.572 1.00 0.00 C ATOM 2386 CD1 PHE B 7 -4.077 -0.592 3.086 1.00 0.00 C ATOM 2387 CD2 PHE B 7 -4.209 -2.652 1.891 1.00 0.00 C ATOM 2388 CE1 PHE B 7 -2.704 -0.583 2.925 1.00 0.00 C ATOM 2389 CE2 PHE B 7 -2.837 -2.648 1.728 1.00 0.00 C ATOM 2390 CZ PHE B 7 -2.084 -1.612 2.244 1.00 0.00 C ATOM 0 H PHE B 7 -8.868 -0.906 3.134 1.00 0.00 H new ATOM 0 HA PHE B 7 -6.313 0.516 2.678 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -6.570 -1.898 3.780 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -6.766 -2.407 2.114 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -4.557 0.216 3.619 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -4.793 -3.464 1.483 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -2.117 0.228 3.331 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.354 -3.455 1.197 1.00 0.00 H new ATOM 0 HZ PHE B 7 -1.012 -1.606 2.115 1.00 0.00 H new ATOM 2400 N PRO B 8 -6.804 0.858 0.279 1.00 0.00 N ATOM 2401 CA PRO B 8 -7.001 1.077 -1.157 1.00 0.00 C ATOM 2402 C PRO B 8 -6.214 0.086 -2.008 1.00 0.00 C ATOM 2403 O PRO B 8 -6.714 -0.416 -3.016 1.00 0.00 O ATOM 2404 CB PRO B 8 -6.481 2.500 -1.374 1.00 0.00 C ATOM 2405 CG PRO B 8 -5.502 2.717 -0.272 1.00 0.00 C ATOM 2406 CD PRO B 8 -6.022 1.938 0.904 1.00 0.00 C ATOM 0 HA PRO B 8 -8.042 0.940 -1.451 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -6.008 2.604 -2.350 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -7.291 3.228 -1.333 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -4.508 2.373 -0.559 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -5.415 3.776 -0.031 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -5.210 1.544 1.516 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -6.640 2.557 1.554 1.00 0.00 H new ATOM 2414 N CYS B 9 -4.982 -0.191 -1.598 1.00 0.00 N ATOM 2415 CA CYS B 9 -4.125 -1.122 -2.323 1.00 0.00 C ATOM 2416 C CYS B 9 -4.937 -2.284 -2.885 1.00 0.00 C ATOM 2417 O CYS B 9 -5.182 -2.360 -4.088 1.00 0.00 O ATOM 2418 CB CYS B 9 -3.021 -1.651 -1.407 1.00 0.00 C ATOM 2419 SG CYS B 9 -1.931 -0.368 -0.747 1.00 0.00 S ATOM 0 H CYS B 9 -4.554 0.216 -0.767 1.00 0.00 H new ATOM 0 HA CYS B 9 -3.670 -0.585 -3.155 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.479 -2.186 -0.575 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -2.421 -2.374 -1.959 1.00 0.00 H new ATOM 0 HG CYS B 9 -1.878 -0.467 0.548 1.00 0.00 H new ATOM 2425 N GLY B 10 -5.353 -3.189 -2.004 1.00 0.00 N ATOM 2426 CA GLY B 10 -6.132 -4.336 -2.431 1.00 0.00 C ATOM 2427 C GLY B 10 -5.286 -5.583 -2.595 1.00 0.00 C ATOM 2428 O GLY B 10 -5.435 -6.546 -1.844 1.00 0.00 O ATOM 0 H GLY B 10 -5.164 -3.148 -1.002 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -6.919 -4.528 -1.702 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -6.622 -4.106 -3.377 1.00 0.00 H new ATOM 2432 N ASN B 11 -4.395 -5.567 -3.582 1.00 0.00 N ATOM 2433 CA ASN B 11 -3.523 -6.706 -3.844 1.00 0.00 C ATOM 2434 C ASN B 11 -2.296 -6.671 -2.938 1.00 0.00 C ATOM 2435 O ASN B 11 -1.161 -6.626 -3.413 1.00 0.00 O ATOM 2436 CB ASN B 11 -3.088 -6.715 -5.311 1.00 0.00 C ATOM 2437 CG ASN B 11 -4.257 -6.897 -6.260 1.00 0.00 C ATOM 2438 OD1 ASN B 11 -4.743 -5.936 -6.855 1.00 0.00 O ATOM 2439 ND2 ASN B 11 -4.714 -8.136 -6.404 1.00 0.00 N ATOM 0 H ASN B 11 -4.258 -4.778 -4.213 1.00 0.00 H new ATOM 0 HA ASN B 11 -4.083 -7.617 -3.633 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -2.579 -5.779 -5.542 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -2.367 -7.518 -5.468 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -5.499 -8.321 -7.028 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -4.280 -8.903 -5.890 1.00 0.00 H new ATOM 2446 N VAL B 12 -2.532 -6.694 -1.630 1.00 0.00 N ATOM 2447 CA VAL B 12 -1.447 -6.667 -0.657 1.00 0.00 C ATOM 2448 C VAL B 12 -0.677 -7.983 -0.656 1.00 0.00 C ATOM 2449 O VAL B 12 -1.258 -9.053 -0.830 1.00 0.00 O ATOM 2450 CB VAL B 12 -1.974 -6.392 0.764 1.00 0.00 C ATOM 2451 CG1 VAL B 12 -3.026 -7.420 1.152 1.00 0.00 C ATOM 2452 CG2 VAL B 12 -0.828 -6.385 1.765 1.00 0.00 C ATOM 0 H VAL B 12 -3.465 -6.731 -1.220 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.778 -5.858 -0.951 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.442 -5.408 0.775 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.386 -7.209 2.159 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.859 -7.371 0.451 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.587 -8.417 1.125 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.218 -6.189 2.764 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.329 -7.354 1.754 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.114 -5.607 1.495 1.00 0.00 H new ATOM 2462 N ASN B 13 0.634 -7.894 -0.457 1.00 0.00 N ATOM 2463 CA ASN B 13 1.485 -9.079 -0.433 1.00 0.00 C ATOM 2464 C ASN B 13 1.953 -9.383 0.987 1.00 0.00 C ATOM 2465 O ASN B 13 3.092 -9.091 1.352 1.00 0.00 O ATOM 2466 CB ASN B 13 2.694 -8.883 -1.350 1.00 0.00 C ATOM 2467 CG ASN B 13 3.827 -9.837 -1.025 1.00 0.00 C ATOM 2468 OD1 ASN B 13 3.597 -10.984 -0.642 1.00 0.00 O ATOM 2469 ND2 ASN B 13 5.059 -9.365 -1.176 1.00 0.00 N ATOM 0 H ASN B 13 1.130 -7.015 -0.310 1.00 0.00 H new ATOM 0 HA ASN B 13 0.899 -9.925 -0.792 1.00 0.00 H new ATOM 0 HB2 ASN B 13 2.388 -9.027 -2.386 1.00 0.00 H new ATOM 0 HB3 ASN B 13 3.050 -7.857 -1.262 1.00 0.00 H new ATOM 0 HD21 ASN B 13 5.862 -9.960 -0.972 1.00 0.00 H new ATOM 0 HD22 ASN B 13 5.203 -8.407 -1.496 1.00 0.00 H new ATOM 2476 N TYR B 14 1.068 -9.972 1.782 1.00 0.00 N ATOM 2477 CA TYR B 14 1.389 -10.315 3.163 1.00 0.00 C ATOM 2478 C TYR B 14 2.842 -10.765 3.288 1.00 0.00 C ATOM 2479 O TYR B 14 3.328 -11.564 2.488 1.00 0.00 O ATOM 2480 CB TYR B 14 0.457 -11.418 3.667 1.00 0.00 C ATOM 2481 CG TYR B 14 -0.999 -11.177 3.339 1.00 0.00 C ATOM 2482 CD1 TYR B 14 -1.679 -10.087 3.867 1.00 0.00 C ATOM 2483 CD2 TYR B 14 -1.695 -12.039 2.500 1.00 0.00 C ATOM 2484 CE1 TYR B 14 -3.010 -9.863 3.571 1.00 0.00 C ATOM 2485 CE2 TYR B 14 -3.025 -11.822 2.197 1.00 0.00 C ATOM 2486 CZ TYR B 14 -3.679 -10.733 2.736 1.00 0.00 C ATOM 2487 OH TYR B 14 -5.004 -10.513 2.437 1.00 0.00 O ATOM 0 H TYR B 14 0.122 -10.222 1.494 1.00 0.00 H new ATOM 0 HA TYR B 14 1.249 -9.423 3.774 1.00 0.00 H new ATOM 0 HB2 TYR B 14 0.766 -12.369 3.233 1.00 0.00 H new ATOM 0 HB3 TYR B 14 0.567 -11.509 4.748 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -1.158 -9.403 4.520 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -1.187 -12.893 2.078 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -3.524 -9.011 3.991 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.550 -12.501 1.542 1.00 0.00 H new ATOM 0 HH TYR B 14 -5.325 -11.217 1.835 1.00 0.00 H new ATOM 2497 N GLY B 15 3.530 -10.245 4.300 1.00 0.00 N ATOM 2498 CA GLY B 15 4.920 -10.604 4.514 1.00 0.00 C ATOM 2499 C GLY B 15 5.180 -11.104 5.921 1.00 0.00 C ATOM 2500 O GLY B 15 4.246 -11.305 6.698 1.00 0.00 O ATOM 0 H GLY B 15 3.150 -9.582 4.975 1.00 0.00 H new ATOM 0 HA2 GLY B 15 5.207 -11.375 3.799 1.00 0.00 H new ATOM 0 HA3 GLY B 15 5.550 -9.737 4.318 1.00 0.00 H new