USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 615 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 36 THR OG1 : rot 180:sc= 0.719 USER MOD Set 1.2: A 39 SER OG : rot 82:sc= 0.808 USER MOD Single : A 15 LYS NZ :NH3+ 153:sc= 1.3 (180deg=0.958) USER MOD Single : A 17 HIS : no HE2:sc= -2.87! C(o=-1.1!,f=-11!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= 1.22 (180deg=1.04) USER MOD Single : A 24 SER OG : rot 162:sc= 1.27 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.18 K(o=-0.18,f=-2.4!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -13:sc= 0.877 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -151:sc= 0.873 (180deg=0.0992!) USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= -1.92! (180deg=-1.98!) USER MOD Single : A 45 HIS : no HE2:sc= -0.0267 K(o=-0.027,f=-3.4!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 105:sc= 0.898 USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0156) USER MOD Single : A 55 MET CE :methyl 165:sc= -1.43 (180deg=-2.28) USER MOD Single : A 56 GLN : amide:sc= -0.215 K(o=-0.21,f=-0.73) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 13:sc= 0.955 USER MOD Single : A 68 TYR OH : rot -124:sc= 0.904 USER MOD Single : A 70 ASN : amide:sc= -0.222 K(o=-0.22,f=-2.6!) USER MOD Single : A 72 ASN : amide:sc= -0.06 K(o=-0.06,f=-0.82) USER MOD Single : A 74 TYR OH : rot 4:sc= -1.84! USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0381 USER MOD Single : A 80 SER OG : rot -99:sc= 0.885 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 224 N LYS A 15 -13.988 2.516 -1.801 1.00 0.00 N ATOM 225 CA LYS A 15 -12.607 2.125 -2.023 1.00 0.00 C ATOM 226 C LYS A 15 -11.833 3.273 -2.654 1.00 0.00 C ATOM 227 O LYS A 15 -12.326 3.953 -3.559 1.00 0.00 O ATOM 228 CB LYS A 15 -12.520 0.877 -2.909 1.00 0.00 C ATOM 229 CG LYS A 15 -12.788 -0.448 -2.190 1.00 0.00 C ATOM 230 CD LYS A 15 -14.094 -0.444 -1.403 1.00 0.00 C ATOM 231 CE LYS A 15 -14.382 -1.807 -0.787 1.00 0.00 C ATOM 232 NZ LYS A 15 -15.422 -1.732 0.276 1.00 0.00 N ATOM 0 HA LYS A 15 -12.164 1.884 -1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.233 0.980 -3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.527 0.836 -3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.814 -1.254 -2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.962 -0.661 -1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.043 0.308 -0.616 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.915 -0.161 -2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.710 -2.495 -1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.463 -2.216 -0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.912 -2.647 0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.972 -1.508 1.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.109 -0.989 0.037 1.00 0.00 H new ATOM 246 N ILE A 16 -10.626 3.480 -2.169 1.00 0.00 N ATOM 247 CA ILE A 16 -9.810 4.596 -2.601 1.00 0.00 C ATOM 248 C ILE A 16 -8.784 4.147 -3.627 1.00 0.00 C ATOM 249 O ILE A 16 -8.499 2.957 -3.764 1.00 0.00 O ATOM 250 CB ILE A 16 -9.091 5.272 -1.412 1.00 0.00 C ATOM 251 CG1 ILE A 16 -8.266 4.246 -0.625 1.00 0.00 C ATOM 252 CG2 ILE A 16 -10.104 5.962 -0.509 1.00 0.00 C ATOM 253 CD1 ILE A 16 -7.548 4.825 0.577 1.00 0.00 C ATOM 0 H ILE A 16 -10.185 2.884 -1.469 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.480 5.325 -3.056 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.407 6.026 -1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.925 3.445 -0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.531 3.797 -1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.585 6.435 0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.642 6.720 -1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.811 5.226 -0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.987 4.037 1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.862 5.606 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.277 5.249 1.267 1.00 0.00 H new ATOM 265 N HIS A 17 -8.238 5.107 -4.350 1.00 0.00 N ATOM 266 CA HIS A 17 -7.270 4.820 -5.395 1.00 0.00 C ATOM 267 C HIS A 17 -5.875 5.226 -4.946 1.00 0.00 C ATOM 268 O HIS A 17 -5.573 6.412 -4.841 1.00 0.00 O ATOM 269 CB HIS A 17 -7.654 5.552 -6.687 1.00 0.00 C ATOM 270 CG HIS A 17 -8.958 5.091 -7.257 1.00 0.00 C ATOM 271 ND1 HIS A 17 -10.137 5.786 -7.115 1.00 0.00 N ATOM 272 CD2 HIS A 17 -9.266 3.974 -7.947 1.00 0.00 C ATOM 273 CE1 HIS A 17 -11.112 5.112 -7.691 1.00 0.00 C ATOM 274 NE2 HIS A 17 -10.613 4.004 -8.205 1.00 0.00 N ATOM 0 H HIS A 17 -8.449 6.098 -4.233 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.271 3.748 -5.591 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.709 6.622 -6.488 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.868 5.405 -7.428 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -10.240 6.682 -6.639 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.577 3.197 -8.243 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -12.147 5.416 -7.735 1.00 0.00 H new ATOM 283 N VAL A 18 -5.037 4.240 -4.663 1.00 0.00 N ATOM 284 CA VAL A 18 -3.682 4.497 -4.190 1.00 0.00 C ATOM 285 C VAL A 18 -2.688 4.429 -5.342 1.00 0.00 C ATOM 286 O VAL A 18 -2.860 3.644 -6.275 1.00 0.00 O ATOM 287 CB VAL A 18 -3.261 3.492 -3.097 1.00 0.00 C ATOM 288 CG1 VAL A 18 -4.186 3.591 -1.893 1.00 0.00 C ATOM 289 CG2 VAL A 18 -3.241 2.074 -3.647 1.00 0.00 C ATOM 0 H VAL A 18 -5.271 3.251 -4.753 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.677 5.499 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.251 3.743 -2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.873 2.875 -1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.141 4.599 -1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.208 3.370 -2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.942 1.382 -2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.236 1.808 -4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.531 2.014 -4.472 1.00 0.00 H new ATOM 299 N THR A 19 -1.655 5.250 -5.277 1.00 0.00 N ATOM 300 CA THR A 19 -0.640 5.269 -6.314 1.00 0.00 C ATOM 301 C THR A 19 0.615 4.542 -5.843 1.00 0.00 C ATOM 302 O THR A 19 1.297 4.997 -4.930 1.00 0.00 O ATOM 303 CB THR A 19 -0.286 6.716 -6.699 1.00 0.00 C ATOM 304 OG1 THR A 19 -1.486 7.451 -6.972 1.00 0.00 O ATOM 305 CG2 THR A 19 0.620 6.748 -7.922 1.00 0.00 C ATOM 0 H THR A 19 -1.497 5.912 -4.517 1.00 0.00 H new ATOM 0 HA THR A 19 -1.041 4.759 -7.190 1.00 0.00 H new ATOM 0 HB THR A 19 0.244 7.173 -5.864 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.257 8.372 -7.215 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.855 7.782 -8.173 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.542 6.208 -7.706 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.112 6.277 -8.763 1.00 0.00 H new ATOM 313 N VAL A 20 0.903 3.409 -6.458 1.00 0.00 N ATOM 314 CA VAL A 20 2.047 2.600 -6.067 1.00 0.00 C ATOM 315 C VAL A 20 3.261 2.934 -6.928 1.00 0.00 C ATOM 316 O VAL A 20 3.224 2.786 -8.152 1.00 0.00 O ATOM 317 CB VAL A 20 1.726 1.096 -6.183 1.00 0.00 C ATOM 318 CG1 VAL A 20 2.905 0.257 -5.718 1.00 0.00 C ATOM 319 CG2 VAL A 20 0.477 0.754 -5.383 1.00 0.00 C ATOM 0 H VAL A 20 0.360 3.026 -7.232 1.00 0.00 H new ATOM 0 HA VAL A 20 2.275 2.829 -5.026 1.00 0.00 H new ATOM 0 HB VAL A 20 1.537 0.866 -7.232 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.657 -0.801 -5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.776 0.479 -6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.129 0.490 -4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.265 -0.311 -5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.638 1.001 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.368 1.327 -5.765 1.00 0.00 H new ATOM 329 N LYS A 21 4.326 3.401 -6.287 1.00 0.00 N ATOM 330 CA LYS A 21 5.545 3.771 -6.997 1.00 0.00 C ATOM 331 C LYS A 21 6.586 2.664 -6.907 1.00 0.00 C ATOM 332 O LYS A 21 7.183 2.448 -5.852 1.00 0.00 O ATOM 333 CB LYS A 21 6.136 5.060 -6.422 1.00 0.00 C ATOM 334 CG LYS A 21 5.131 6.185 -6.288 1.00 0.00 C ATOM 335 CD LYS A 21 5.785 7.454 -5.775 1.00 0.00 C ATOM 336 CE LYS A 21 6.485 8.214 -6.887 1.00 0.00 C ATOM 337 NZ LYS A 21 6.991 9.530 -6.420 1.00 0.00 N ATOM 0 H LYS A 21 4.370 3.533 -5.276 1.00 0.00 H new ATOM 0 HA LYS A 21 5.279 3.928 -8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.563 4.848 -5.442 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.955 5.390 -7.061 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.668 6.378 -7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.334 5.884 -5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.030 8.093 -5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.505 7.203 -4.996 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.315 7.619 -7.267 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.794 8.364 -7.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.134 10.157 -7.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.299 9.958 -5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.895 9.398 -5.923 1.00 0.00 H new ATOM 351 N PHE A 22 6.795 1.971 -8.011 1.00 0.00 N ATOM 352 CA PHE A 22 7.806 0.928 -8.088 1.00 0.00 C ATOM 353 C PHE A 22 8.895 1.318 -9.074 1.00 0.00 C ATOM 354 O PHE A 22 8.636 2.047 -10.031 1.00 0.00 O ATOM 355 CB PHE A 22 7.177 -0.399 -8.529 1.00 0.00 C ATOM 356 CG PHE A 22 7.037 -1.406 -7.428 1.00 0.00 C ATOM 357 CD1 PHE A 22 8.087 -2.249 -7.111 1.00 0.00 C ATOM 358 CD2 PHE A 22 5.856 -1.514 -6.717 1.00 0.00 C ATOM 359 CE1 PHE A 22 7.964 -3.181 -6.103 1.00 0.00 C ATOM 360 CE2 PHE A 22 5.726 -2.446 -5.709 1.00 0.00 C ATOM 361 CZ PHE A 22 6.781 -3.281 -5.402 1.00 0.00 C ATOM 0 H PHE A 22 6.273 2.112 -8.876 1.00 0.00 H new ATOM 0 HA PHE A 22 8.242 0.807 -7.097 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.192 -0.199 -8.951 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.784 -0.829 -9.325 1.00 0.00 H new ATOM 0 HD1 PHE A 22 9.014 -2.176 -7.660 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.028 -0.862 -6.953 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.792 -3.831 -5.863 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.799 -2.522 -5.160 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.680 -4.012 -4.613 1.00 0.00 H new ATOM 371 N PRO A 23 10.128 0.843 -8.858 1.00 0.00 N ATOM 372 CA PRO A 23 11.204 0.982 -9.839 1.00 0.00 C ATOM 373 C PRO A 23 10.837 0.293 -11.150 1.00 0.00 C ATOM 374 O PRO A 23 11.340 0.643 -12.220 1.00 0.00 O ATOM 375 CB PRO A 23 12.402 0.285 -9.184 1.00 0.00 C ATOM 376 CG PRO A 23 11.826 -0.546 -8.087 1.00 0.00 C ATOM 377 CD PRO A 23 10.585 0.165 -7.634 1.00 0.00 C ATOM 0 HA PRO A 23 11.407 2.024 -10.087 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.939 -0.332 -9.904 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.114 1.012 -8.794 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.593 -1.550 -8.440 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.535 -0.654 -7.266 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.837 -0.531 -7.254 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.795 0.875 -6.834 1.00 0.00 H new ATOM 385 N SER A 24 9.951 -0.693 -11.047 1.00 0.00 N ATOM 386 CA SER A 24 9.444 -1.407 -12.206 1.00 0.00 C ATOM 387 C SER A 24 8.489 -0.518 -13.004 1.00 0.00 C ATOM 388 O SER A 24 8.635 -0.362 -14.216 1.00 0.00 O ATOM 389 CB SER A 24 8.704 -2.668 -11.758 1.00 0.00 C ATOM 390 OG SER A 24 9.415 -3.353 -10.737 1.00 0.00 O ATOM 0 H SER A 24 9.567 -1.016 -10.159 1.00 0.00 H new ATOM 0 HA SER A 24 10.288 -1.683 -12.838 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.712 -2.399 -11.395 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.562 -3.331 -12.612 1.00 0.00 H new ATOM 0 HG SER A 24 8.810 -3.969 -10.274 1.00 0.00 H new ATOM 396 N LYS A 25 7.520 0.067 -12.302 1.00 0.00 N ATOM 397 CA LYS A 25 6.476 0.873 -12.927 1.00 0.00 C ATOM 398 C LYS A 25 5.676 1.609 -11.854 1.00 0.00 C ATOM 399 O LYS A 25 5.868 1.375 -10.663 1.00 0.00 O ATOM 400 CB LYS A 25 5.531 -0.021 -13.736 1.00 0.00 C ATOM 401 CG LYS A 25 4.715 -0.971 -12.871 1.00 0.00 C ATOM 402 CD LYS A 25 3.747 -1.799 -13.698 1.00 0.00 C ATOM 403 CE LYS A 25 4.457 -2.905 -14.460 1.00 0.00 C ATOM 404 NZ LYS A 25 3.538 -3.617 -15.384 1.00 0.00 N ATOM 0 H LYS A 25 7.438 -0.005 -11.288 1.00 0.00 H new ATOM 0 HA LYS A 25 6.946 1.596 -13.593 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.853 0.607 -14.313 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.114 -0.601 -14.451 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.387 -1.634 -12.327 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.160 -0.399 -12.127 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.992 -2.235 -13.044 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.224 -1.151 -14.401 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.286 -2.481 -15.027 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.885 -3.616 -13.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.060 -4.364 -15.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.760 -4.043 -14.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.149 -2.943 -16.074 1.00 0.00 H new ATOM 418 N GLN A 26 4.770 2.478 -12.276 1.00 0.00 N ATOM 419 CA GLN A 26 3.879 3.159 -11.346 1.00 0.00 C ATOM 420 C GLN A 26 2.431 2.900 -11.741 1.00 0.00 C ATOM 421 O GLN A 26 2.036 3.153 -12.883 1.00 0.00 O ATOM 422 CB GLN A 26 4.170 4.662 -11.325 1.00 0.00 C ATOM 423 CG GLN A 26 3.307 5.442 -10.345 1.00 0.00 C ATOM 424 CD GLN A 26 3.647 6.918 -10.316 1.00 0.00 C ATOM 425 OE1 GLN A 26 4.489 7.361 -9.534 1.00 0.00 O ATOM 426 NE2 GLN A 26 2.992 7.693 -11.166 1.00 0.00 N ATOM 0 H GLN A 26 4.632 2.729 -13.255 1.00 0.00 H new ATOM 0 HA GLN A 26 4.048 2.768 -10.343 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.219 4.816 -11.073 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.021 5.065 -12.327 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.258 5.320 -10.614 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.431 5.025 -9.346 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.302 7.287 -11.798 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.178 8.696 -11.189 1.00 0.00 H new ATOM 435 N PHE A 27 1.638 2.409 -10.800 1.00 0.00 N ATOM 436 CA PHE A 27 0.266 2.012 -11.093 1.00 0.00 C ATOM 437 C PHE A 27 -0.673 2.359 -9.944 1.00 0.00 C ATOM 438 O PHE A 27 -0.229 2.692 -8.846 1.00 0.00 O ATOM 439 CB PHE A 27 0.197 0.509 -11.400 1.00 0.00 C ATOM 440 CG PHE A 27 0.749 -0.375 -10.309 1.00 0.00 C ATOM 441 CD1 PHE A 27 2.097 -0.691 -10.273 1.00 0.00 C ATOM 442 CD2 PHE A 27 -0.082 -0.893 -9.327 1.00 0.00 C ATOM 443 CE1 PHE A 27 2.608 -1.505 -9.280 1.00 0.00 C ATOM 444 CE2 PHE A 27 0.424 -1.707 -8.330 1.00 0.00 C ATOM 445 CZ PHE A 27 1.770 -2.013 -8.306 1.00 0.00 C ATOM 0 H PHE A 27 1.919 2.276 -9.829 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.060 2.569 -11.971 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.842 0.235 -11.582 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.745 0.313 -12.322 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.757 -0.296 -11.031 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.136 -0.658 -9.341 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.661 -1.744 -9.265 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.234 -2.103 -7.570 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.167 -2.648 -7.528 1.00 0.00 H new ATOM 455 N THR A 28 -1.968 2.275 -10.209 1.00 0.00 N ATOM 456 CA THR A 28 -2.983 2.592 -9.215 1.00 0.00 C ATOM 457 C THR A 28 -3.719 1.330 -8.781 1.00 0.00 C ATOM 458 O THR A 28 -3.992 0.450 -9.601 1.00 0.00 O ATOM 459 CB THR A 28 -4.003 3.592 -9.783 1.00 0.00 C ATOM 460 OG1 THR A 28 -3.344 4.488 -10.686 1.00 0.00 O ATOM 461 CG2 THR A 28 -4.664 4.392 -8.672 1.00 0.00 C ATOM 0 H THR A 28 -2.343 1.987 -11.113 1.00 0.00 H new ATOM 0 HA THR A 28 -2.480 3.035 -8.355 1.00 0.00 H new ATOM 0 HB THR A 28 -4.775 3.031 -10.310 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.995 5.124 -11.049 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.380 5.091 -9.104 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.182 3.714 -7.994 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.904 4.946 -8.121 1.00 0.00 H new ATOM 469 N VAL A 29 -4.027 1.241 -7.495 1.00 0.00 N ATOM 470 CA VAL A 29 -4.755 0.100 -6.955 1.00 0.00 C ATOM 471 C VAL A 29 -5.964 0.582 -6.160 1.00 0.00 C ATOM 472 O VAL A 29 -5.899 1.620 -5.498 1.00 0.00 O ATOM 473 CB VAL A 29 -3.856 -0.762 -6.037 1.00 0.00 C ATOM 474 CG1 VAL A 29 -4.564 -2.042 -5.621 1.00 0.00 C ATOM 475 CG2 VAL A 29 -2.536 -1.088 -6.717 1.00 0.00 C ATOM 0 H VAL A 29 -3.783 1.949 -6.802 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.080 -0.512 -7.796 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.648 -0.179 -5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.908 -2.628 -4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.477 -1.793 -5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.815 -2.624 -6.508 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.923 -1.695 -6.050 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.727 -1.641 -7.637 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.010 -0.163 -6.952 1.00 0.00 H new ATOM 485 N GLU A 30 -7.068 -0.146 -6.242 1.00 0.00 N ATOM 486 CA GLU A 30 -8.247 0.187 -5.458 1.00 0.00 C ATOM 487 C GLU A 30 -8.266 -0.609 -4.174 1.00 0.00 C ATOM 488 O GLU A 30 -8.270 -1.844 -4.183 1.00 0.00 O ATOM 489 CB GLU A 30 -9.530 -0.064 -6.233 1.00 0.00 C ATOM 490 CG GLU A 30 -9.597 0.726 -7.521 1.00 0.00 C ATOM 491 CD GLU A 30 -10.918 0.587 -8.247 1.00 0.00 C ATOM 492 OE1 GLU A 30 -11.204 -0.509 -8.773 1.00 0.00 O ATOM 493 OE2 GLU A 30 -11.661 1.589 -8.318 1.00 0.00 O ATOM 0 H GLU A 30 -7.172 -0.966 -6.840 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.194 1.251 -5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.611 -1.127 -6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.384 0.195 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.421 1.779 -7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.793 0.399 -8.180 1.00 0.00 H new ATOM 500 N VAL A 31 -8.264 0.101 -3.072 1.00 0.00 N ATOM 501 CA VAL A 31 -8.244 -0.526 -1.765 1.00 0.00 C ATOM 502 C VAL A 31 -9.220 0.176 -0.826 1.00 0.00 C ATOM 503 O VAL A 31 -9.527 1.352 -1.005 1.00 0.00 O ATOM 504 CB VAL A 31 -6.819 -0.523 -1.159 1.00 0.00 C ATOM 505 CG1 VAL A 31 -5.809 -1.116 -2.131 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.405 0.885 -0.760 1.00 0.00 C ATOM 0 H VAL A 31 -8.276 1.121 -3.051 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.553 -1.564 -1.887 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.837 -1.146 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.817 -1.101 -1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.087 -2.144 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.798 -0.528 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.401 0.863 -0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.414 1.530 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.103 1.273 -0.018 1.00 0.00 H new ATOM 516 N ASP A 32 -9.734 -0.557 0.143 1.00 0.00 N ATOM 517 CA ASP A 32 -10.686 -0.004 1.109 1.00 0.00 C ATOM 518 C ASP A 32 -9.963 0.886 2.125 1.00 0.00 C ATOM 519 O ASP A 32 -8.769 0.724 2.361 1.00 0.00 O ATOM 520 CB ASP A 32 -11.414 -1.147 1.830 1.00 0.00 C ATOM 521 CG ASP A 32 -12.631 -0.689 2.619 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.462 -0.059 3.680 1.00 0.00 O ATOM 523 OD2 ASP A 32 -13.762 -0.987 2.188 1.00 0.00 O ATOM 0 H ASP A 32 -9.512 -1.542 0.289 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.415 0.606 0.576 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.726 -1.889 1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.717 -1.641 2.507 1.00 0.00 H new ATOM 528 N ARG A 33 -10.685 1.823 2.732 1.00 0.00 N ATOM 529 CA ARG A 33 -10.095 2.705 3.736 1.00 0.00 C ATOM 530 C ARG A 33 -9.788 1.924 5.009 1.00 0.00 C ATOM 531 O ARG A 33 -8.810 2.199 5.707 1.00 0.00 O ATOM 532 CB ARG A 33 -11.031 3.864 4.072 1.00 0.00 C ATOM 533 CG ARG A 33 -11.460 4.685 2.870 1.00 0.00 C ATOM 534 CD ARG A 33 -12.298 5.879 3.293 1.00 0.00 C ATOM 535 NE ARG A 33 -11.533 6.818 4.113 1.00 0.00 N ATOM 536 CZ ARG A 33 -12.076 7.796 4.837 1.00 0.00 C ATOM 537 NH1 ARG A 33 -13.396 7.928 4.913 1.00 0.00 N ATOM 538 NH2 ARG A 33 -11.288 8.619 5.511 1.00 0.00 N ATOM 0 H ARG A 33 -11.674 1.991 2.548 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.172 3.109 3.320 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.920 3.468 4.563 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.536 4.520 4.788 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.579 5.029 2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.032 4.060 2.185 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.673 6.392 2.407 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.167 5.533 3.852 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.518 6.718 4.132 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.003 7.277 4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.802 8.680 5.470 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.276 8.501 5.473 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.693 9.371 6.068 1.00 0.00 H new ATOM 552 N THR A 34 -10.625 0.937 5.294 1.00 0.00 N ATOM 553 CA THR A 34 -10.461 0.111 6.477 1.00 0.00 C ATOM 554 C THR A 34 -9.667 -1.146 6.140 1.00 0.00 C ATOM 555 O THR A 34 -9.615 -2.100 6.920 1.00 0.00 O ATOM 556 CB THR A 34 -11.823 -0.272 7.091 1.00 0.00 C ATOM 557 OG1 THR A 34 -12.657 -0.905 6.111 1.00 0.00 O ATOM 558 CG2 THR A 34 -12.528 0.959 7.638 1.00 0.00 C ATOM 0 H THR A 34 -11.429 0.689 4.717 1.00 0.00 H new ATOM 0 HA THR A 34 -9.911 0.695 7.215 1.00 0.00 H new ATOM 0 HB THR A 34 -11.639 -0.970 7.908 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.272 -0.773 5.219 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.487 0.669 8.067 1.00 0.00 H new ATOM 0 HG22 THR A 34 -11.910 1.420 8.409 1.00 0.00 H new ATOM 0 HG23 THR A 34 -12.693 1.673 6.831 1.00 0.00 H new ATOM 566 N GLU A 35 -9.048 -1.127 4.970 1.00 0.00 N ATOM 567 CA GLU A 35 -8.212 -2.222 4.520 1.00 0.00 C ATOM 568 C GLU A 35 -6.901 -2.212 5.296 1.00 0.00 C ATOM 569 O GLU A 35 -6.370 -1.146 5.615 1.00 0.00 O ATOM 570 CB GLU A 35 -7.970 -2.087 3.015 1.00 0.00 C ATOM 571 CG GLU A 35 -7.199 -3.231 2.384 1.00 0.00 C ATOM 572 CD GLU A 35 -7.427 -3.304 0.894 1.00 0.00 C ATOM 573 OE1 GLU A 35 -8.589 -3.135 0.451 1.00 0.00 O ATOM 574 OE2 GLU A 35 -6.460 -3.525 0.147 1.00 0.00 O ATOM 0 H GLU A 35 -9.112 -0.353 4.309 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.707 -3.175 4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.934 -1.998 2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.429 -1.159 2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.135 -3.106 2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.501 -4.171 2.845 1.00 0.00 H new ATOM 581 N THR A 36 -6.399 -3.390 5.629 1.00 0.00 N ATOM 582 CA THR A 36 -5.182 -3.495 6.411 1.00 0.00 C ATOM 583 C THR A 36 -3.949 -3.433 5.517 1.00 0.00 C ATOM 584 O THR A 36 -4.013 -3.776 4.334 1.00 0.00 O ATOM 585 CB THR A 36 -5.160 -4.793 7.242 1.00 0.00 C ATOM 586 OG1 THR A 36 -5.463 -5.925 6.414 1.00 0.00 O ATOM 587 CG2 THR A 36 -6.158 -4.717 8.383 1.00 0.00 C ATOM 0 H THR A 36 -6.816 -4.284 5.370 1.00 0.00 H new ATOM 0 HA THR A 36 -5.163 -2.646 7.094 1.00 0.00 H new ATOM 0 HB THR A 36 -4.158 -4.910 7.655 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.443 -6.741 6.956 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.126 -5.643 8.957 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.905 -3.879 9.033 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.161 -4.574 7.980 1.00 0.00 H new ATOM 595 N VAL A 37 -2.830 -3.000 6.090 1.00 0.00 N ATOM 596 CA VAL A 37 -1.573 -2.902 5.354 1.00 0.00 C ATOM 597 C VAL A 37 -1.170 -4.265 4.792 1.00 0.00 C ATOM 598 O VAL A 37 -0.539 -4.357 3.735 1.00 0.00 O ATOM 599 CB VAL A 37 -0.444 -2.352 6.250 1.00 0.00 C ATOM 600 CG1 VAL A 37 0.857 -2.222 5.473 1.00 0.00 C ATOM 601 CG2 VAL A 37 -0.846 -1.010 6.836 1.00 0.00 C ATOM 0 H VAL A 37 -2.768 -2.710 7.066 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.728 -2.208 4.528 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.281 -3.059 7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.635 -1.832 6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.156 -3.201 5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.714 -1.540 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.041 -0.632 7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.037 -0.303 6.029 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.749 -1.130 7.434 1.00 0.00 H new ATOM 611 N SER A 38 -1.564 -5.322 5.493 1.00 0.00 N ATOM 612 CA SER A 38 -1.294 -6.678 5.047 1.00 0.00 C ATOM 613 C SER A 38 -1.981 -6.948 3.709 1.00 0.00 C ATOM 614 O SER A 38 -1.395 -7.546 2.806 1.00 0.00 O ATOM 615 CB SER A 38 -1.777 -7.684 6.092 1.00 0.00 C ATOM 616 OG SER A 38 -1.216 -8.966 5.864 1.00 0.00 O ATOM 0 H SER A 38 -2.073 -5.262 6.375 1.00 0.00 H new ATOM 0 HA SER A 38 -0.218 -6.790 4.917 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.505 -7.337 7.089 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.865 -7.749 6.063 1.00 0.00 H new ATOM 0 HG SER A 38 -1.539 -9.591 6.546 1.00 0.00 H new ATOM 622 N SER A 39 -3.219 -6.483 3.586 1.00 0.00 N ATOM 623 CA SER A 39 -3.994 -6.677 2.373 1.00 0.00 C ATOM 624 C SER A 39 -3.444 -5.800 1.258 1.00 0.00 C ATOM 625 O SER A 39 -3.462 -6.179 0.084 1.00 0.00 O ATOM 626 CB SER A 39 -5.460 -6.337 2.633 1.00 0.00 C ATOM 627 OG SER A 39 -5.927 -6.971 3.812 1.00 0.00 O ATOM 0 H SER A 39 -3.707 -5.967 4.318 1.00 0.00 H new ATOM 0 HA SER A 39 -3.921 -7.721 2.068 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.576 -5.257 2.726 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.066 -6.650 1.783 1.00 0.00 H new ATOM 0 HG SER A 39 -5.657 -6.446 4.594 1.00 0.00 H new ATOM 633 N LEU A 40 -2.950 -4.631 1.648 1.00 0.00 N ATOM 634 CA LEU A 40 -2.350 -3.696 0.717 1.00 0.00 C ATOM 635 C LEU A 40 -1.148 -4.343 0.035 1.00 0.00 C ATOM 636 O LEU A 40 -1.052 -4.371 -1.193 1.00 0.00 O ATOM 637 CB LEU A 40 -1.905 -2.436 1.462 1.00 0.00 C ATOM 638 CG LEU A 40 -1.836 -1.179 0.604 1.00 0.00 C ATOM 639 CD1 LEU A 40 -3.232 -0.798 0.146 1.00 0.00 C ATOM 640 CD2 LEU A 40 -1.184 -0.038 1.369 1.00 0.00 C ATOM 0 H LEU A 40 -2.956 -4.310 2.616 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.086 -3.424 -0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.592 -2.258 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.922 -2.616 1.898 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.221 -1.381 -0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.181 0.101 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.658 -1.613 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.861 -0.609 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.146 0.849 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.767 0.180 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.172 -0.324 1.655 1.00 0.00 H new ATOM 652 N LYS A 41 -0.245 -4.880 0.854 1.00 0.00 N ATOM 653 CA LYS A 41 0.940 -5.579 0.361 1.00 0.00 C ATOM 654 C LYS A 41 0.550 -6.741 -0.542 1.00 0.00 C ATOM 655 O LYS A 41 1.141 -6.946 -1.603 1.00 0.00 O ATOM 656 CB LYS A 41 1.765 -6.116 1.530 1.00 0.00 C ATOM 657 CG LYS A 41 2.472 -5.051 2.348 1.00 0.00 C ATOM 658 CD LYS A 41 3.027 -5.643 3.632 1.00 0.00 C ATOM 659 CE LYS A 41 3.787 -4.616 4.453 1.00 0.00 C ATOM 660 NZ LYS A 41 4.265 -5.190 5.740 1.00 0.00 N ATOM 0 H LYS A 41 -0.313 -4.843 1.871 1.00 0.00 H new ATOM 0 HA LYS A 41 1.532 -4.864 -0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.109 -6.685 2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.510 -6.811 1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.281 -4.614 1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.777 -4.245 2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.209 -6.048 4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.688 -6.475 3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.638 -4.248 3.880 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.143 -3.760 4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.324 -4.437 6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.600 -5.922 6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.206 -5.612 5.604 1.00 0.00 H new ATOM 674 N ASP A 42 -0.444 -7.501 -0.103 1.00 0.00 N ATOM 675 CA ASP A 42 -0.923 -8.662 -0.849 1.00 0.00 C ATOM 676 C ASP A 42 -1.351 -8.266 -2.262 1.00 0.00 C ATOM 677 O ASP A 42 -0.946 -8.898 -3.238 1.00 0.00 O ATOM 678 CB ASP A 42 -2.091 -9.319 -0.111 1.00 0.00 C ATOM 679 CG ASP A 42 -2.560 -10.598 -0.776 1.00 0.00 C ATOM 680 OD1 ASP A 42 -1.955 -11.663 -0.512 1.00 0.00 O ATOM 681 OD2 ASP A 42 -3.540 -10.551 -1.548 1.00 0.00 O ATOM 0 H ASP A 42 -0.939 -7.334 0.773 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.104 -9.377 -0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.791 -9.537 0.914 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.923 -8.616 -0.058 1.00 0.00 H new ATOM 686 N LYS A 43 -2.152 -7.206 -2.361 1.00 0.00 N ATOM 687 CA LYS A 43 -2.621 -6.709 -3.656 1.00 0.00 C ATOM 688 C LYS A 43 -1.456 -6.315 -4.556 1.00 0.00 C ATOM 689 O LYS A 43 -1.401 -6.707 -5.723 1.00 0.00 O ATOM 690 CB LYS A 43 -3.541 -5.501 -3.474 1.00 0.00 C ATOM 691 CG LYS A 43 -4.934 -5.850 -2.991 1.00 0.00 C ATOM 692 CD LYS A 43 -5.765 -4.596 -2.788 1.00 0.00 C ATOM 693 CE LYS A 43 -7.215 -4.921 -2.489 1.00 0.00 C ATOM 694 NZ LYS A 43 -7.992 -3.707 -2.151 1.00 0.00 N ATOM 0 H LYS A 43 -2.491 -6.674 -1.560 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.174 -7.521 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.083 -4.813 -2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.620 -4.972 -4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.422 -6.502 -3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.871 -6.405 -2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.347 -4.012 -1.968 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.709 -3.975 -3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.663 -5.411 -3.353 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.266 -5.627 -1.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.982 -3.968 -1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.590 -3.263 -1.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.951 -3.036 -2.945 1.00 0.00 H new ATOM 708 N ILE A 44 -0.526 -5.541 -4.010 1.00 0.00 N ATOM 709 CA ILE A 44 0.627 -5.075 -4.770 1.00 0.00 C ATOM 710 C ILE A 44 1.462 -6.256 -5.257 1.00 0.00 C ATOM 711 O ILE A 44 1.963 -6.254 -6.378 1.00 0.00 O ATOM 712 CB ILE A 44 1.507 -4.125 -3.930 1.00 0.00 C ATOM 713 CG1 ILE A 44 0.673 -2.947 -3.423 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.685 -3.625 -4.753 1.00 0.00 C ATOM 715 CD1 ILE A 44 1.436 -1.998 -2.525 1.00 0.00 C ATOM 0 H ILE A 44 -0.548 -5.222 -3.041 1.00 0.00 H new ATOM 0 HA ILE A 44 0.251 -4.523 -5.631 1.00 0.00 H new ATOM 0 HB ILE A 44 1.895 -4.675 -3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.288 -2.392 -4.279 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.189 -3.332 -2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.295 -2.956 -4.146 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.288 -4.473 -5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.316 -3.087 -5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.778 -1.190 -2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.798 -2.537 -1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.283 -1.582 -3.071 1.00 0.00 H new ATOM 727 N HIS A 45 1.577 -7.275 -4.413 1.00 0.00 N ATOM 728 CA HIS A 45 2.310 -8.489 -4.754 1.00 0.00 C ATOM 729 C HIS A 45 1.651 -9.230 -5.920 1.00 0.00 C ATOM 730 O HIS A 45 2.317 -9.931 -6.675 1.00 0.00 O ATOM 731 CB HIS A 45 2.401 -9.407 -3.532 1.00 0.00 C ATOM 732 CG HIS A 45 3.156 -10.678 -3.774 1.00 0.00 C ATOM 733 ND1 HIS A 45 4.492 -10.712 -4.113 1.00 0.00 N ATOM 734 CD2 HIS A 45 2.750 -11.968 -3.727 1.00 0.00 C ATOM 735 CE1 HIS A 45 4.874 -11.969 -4.260 1.00 0.00 C ATOM 736 NE2 HIS A 45 3.835 -12.751 -4.029 1.00 0.00 N ATOM 0 H HIS A 45 1.168 -7.284 -3.479 1.00 0.00 H new ATOM 0 HA HIS A 45 3.314 -8.200 -5.064 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.879 -8.863 -2.718 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.392 -9.654 -3.201 1.00 0.00 H new ATOM 0 HD1 HIS A 45 5.092 -9.895 -4.232 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.755 -12.317 -3.494 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.867 -12.300 -4.524 1.00 0.00 H new ATOM 745 N ILE A 46 0.339 -9.100 -6.037 1.00 0.00 N ATOM 746 CA ILE A 46 -0.396 -9.741 -7.121 1.00 0.00 C ATOM 747 C ILE A 46 -0.183 -8.988 -8.435 1.00 0.00 C ATOM 748 O ILE A 46 -0.074 -9.594 -9.504 1.00 0.00 O ATOM 749 CB ILE A 46 -1.907 -9.824 -6.798 1.00 0.00 C ATOM 750 CG1 ILE A 46 -2.119 -10.627 -5.512 1.00 0.00 C ATOM 751 CG2 ILE A 46 -2.675 -10.455 -7.953 1.00 0.00 C ATOM 752 CD1 ILE A 46 -3.551 -10.630 -5.023 1.00 0.00 C ATOM 0 H ILE A 46 -0.240 -8.557 -5.396 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.011 -10.755 -7.228 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.288 -8.813 -6.653 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.800 -11.656 -5.680 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.479 -10.219 -4.730 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.735 -10.503 -7.702 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.541 -9.852 -8.851 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.299 -11.462 -8.133 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.622 -11.219 -4.109 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.869 -9.607 -4.821 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.195 -11.066 -5.786 1.00 0.00 H new ATOM 764 N VAL A 47 -0.109 -7.668 -8.347 1.00 0.00 N ATOM 765 CA VAL A 47 0.094 -6.836 -9.529 1.00 0.00 C ATOM 766 C VAL A 47 1.560 -6.839 -9.958 1.00 0.00 C ATOM 767 O VAL A 47 1.878 -7.103 -11.118 1.00 0.00 O ATOM 768 CB VAL A 47 -0.357 -5.379 -9.284 1.00 0.00 C ATOM 769 CG1 VAL A 47 -0.176 -4.536 -10.539 1.00 0.00 C ATOM 770 CG2 VAL A 47 -1.803 -5.339 -8.808 1.00 0.00 C ATOM 0 H VAL A 47 -0.186 -7.149 -7.472 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.517 -7.265 -10.323 1.00 0.00 H new ATOM 0 HB VAL A 47 0.272 -4.955 -8.501 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.501 -3.514 -10.341 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.875 -4.533 -10.827 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.773 -4.956 -11.349 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.103 -4.304 -8.641 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.448 -5.786 -9.565 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.895 -5.898 -7.877 1.00 0.00 H new ATOM 780 N GLU A 48 2.443 -6.557 -9.017 1.00 0.00 N ATOM 781 CA GLU A 48 3.864 -6.472 -9.302 1.00 0.00 C ATOM 782 C GLU A 48 4.553 -7.769 -8.897 1.00 0.00 C ATOM 783 O GLU A 48 4.235 -8.349 -7.861 1.00 0.00 O ATOM 784 CB GLU A 48 4.471 -5.280 -8.557 1.00 0.00 C ATOM 785 CG GLU A 48 5.309 -4.368 -9.438 1.00 0.00 C ATOM 786 CD GLU A 48 6.579 -5.029 -9.928 1.00 0.00 C ATOM 787 OE1 GLU A 48 6.513 -5.831 -10.880 1.00 0.00 O ATOM 788 OE2 GLU A 48 7.655 -4.752 -9.361 1.00 0.00 O ATOM 0 H GLU A 48 2.199 -6.382 -8.042 1.00 0.00 H new ATOM 0 HA GLU A 48 4.011 -6.324 -10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.667 -4.697 -8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.091 -5.651 -7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.715 -4.053 -10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.566 -3.467 -8.880 1.00 0.00 H new ATOM 795 N ASN A 49 5.514 -8.204 -9.700 1.00 0.00 N ATOM 796 CA ASN A 49 6.185 -9.486 -9.485 1.00 0.00 C ATOM 797 C ASN A 49 7.285 -9.355 -8.435 1.00 0.00 C ATOM 798 O ASN A 49 8.364 -9.943 -8.562 1.00 0.00 O ATOM 799 CB ASN A 49 6.777 -10.011 -10.799 1.00 0.00 C ATOM 800 CG ASN A 49 5.718 -10.355 -11.832 1.00 0.00 C ATOM 801 OD1 ASN A 49 5.196 -11.473 -11.858 1.00 0.00 O ATOM 802 ND2 ASN A 49 5.411 -9.409 -12.709 1.00 0.00 N ATOM 0 H ASN A 49 5.851 -7.687 -10.512 1.00 0.00 H new ATOM 0 HA ASN A 49 5.442 -10.197 -9.123 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.450 -9.260 -11.213 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.376 -10.898 -10.592 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.722 -9.593 -13.438 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.864 -8.497 -12.655 1.00 0.00 H new ATOM 809 N THR A 50 6.996 -8.600 -7.388 1.00 0.00 N ATOM 810 CA THR A 50 7.951 -8.367 -6.326 1.00 0.00 C ATOM 811 C THR A 50 7.442 -8.941 -5.001 1.00 0.00 C ATOM 812 O THR A 50 6.376 -8.556 -4.512 1.00 0.00 O ATOM 813 CB THR A 50 8.242 -6.857 -6.175 1.00 0.00 C ATOM 814 OG1 THR A 50 8.712 -6.323 -7.424 1.00 0.00 O ATOM 815 CG2 THR A 50 9.281 -6.600 -5.090 1.00 0.00 C ATOM 0 H THR A 50 6.098 -8.136 -7.254 1.00 0.00 H new ATOM 0 HA THR A 50 8.878 -8.876 -6.590 1.00 0.00 H new ATOM 0 HB THR A 50 7.314 -6.363 -5.887 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.998 -5.801 -7.846 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.464 -5.529 -5.008 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.913 -6.979 -4.137 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.210 -7.108 -5.348 1.00 0.00 H new ATOM 823 N PRO A 51 8.172 -9.922 -4.440 1.00 0.00 N ATOM 824 CA PRO A 51 7.887 -10.481 -3.112 1.00 0.00 C ATOM 825 C PRO A 51 7.742 -9.398 -2.041 1.00 0.00 C ATOM 826 O PRO A 51 8.483 -8.411 -2.031 1.00 0.00 O ATOM 827 CB PRO A 51 9.109 -11.355 -2.830 1.00 0.00 C ATOM 828 CG PRO A 51 9.600 -11.756 -4.177 1.00 0.00 C ATOM 829 CD PRO A 51 9.315 -10.592 -5.085 1.00 0.00 C ATOM 0 HA PRO A 51 6.942 -11.024 -3.091 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.871 -10.805 -2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.844 -12.225 -2.229 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.666 -11.980 -4.153 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.093 -12.656 -4.525 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.175 -9.928 -5.167 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.069 -10.922 -6.094 1.00 0.00 H new ATOM 837 N ILE A 52 6.802 -9.612 -1.127 1.00 0.00 N ATOM 838 CA ILE A 52 6.454 -8.618 -0.115 1.00 0.00 C ATOM 839 C ILE A 52 7.625 -8.346 0.837 1.00 0.00 C ATOM 840 O ILE A 52 7.760 -7.245 1.362 1.00 0.00 O ATOM 841 CB ILE A 52 5.199 -9.059 0.678 1.00 0.00 C ATOM 842 CG1 ILE A 52 3.997 -9.188 -0.266 1.00 0.00 C ATOM 843 CG2 ILE A 52 4.882 -8.073 1.794 1.00 0.00 C ATOM 844 CD1 ILE A 52 2.733 -9.667 0.416 1.00 0.00 C ATOM 0 H ILE A 52 6.261 -10.475 -1.066 1.00 0.00 H new ATOM 0 HA ILE A 52 6.228 -7.687 -0.635 1.00 0.00 H new ATOM 0 HB ILE A 52 5.407 -10.029 1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.805 -8.220 -0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.250 -9.880 -1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.996 -8.407 2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.726 -8.017 2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.696 -7.088 1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.928 -9.733 -0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.906 -10.650 0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.454 -8.964 1.200 1.00 0.00 H new ATOM 856 N LYS A 53 8.487 -9.342 1.032 1.00 0.00 N ATOM 857 CA LYS A 53 9.665 -9.181 1.891 1.00 0.00 C ATOM 858 C LYS A 53 10.655 -8.165 1.319 1.00 0.00 C ATOM 859 O LYS A 53 11.499 -7.633 2.040 1.00 0.00 O ATOM 860 CB LYS A 53 10.387 -10.515 2.086 1.00 0.00 C ATOM 861 CG LYS A 53 9.743 -11.435 3.110 1.00 0.00 C ATOM 862 CD LYS A 53 10.608 -12.664 3.346 1.00 0.00 C ATOM 863 CE LYS A 53 10.134 -13.485 4.535 1.00 0.00 C ATOM 864 NZ LYS A 53 8.738 -13.968 4.369 1.00 0.00 N ATOM 0 H LYS A 53 8.395 -10.266 0.610 1.00 0.00 H new ATOM 0 HA LYS A 53 9.300 -8.815 2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.432 -11.033 1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.415 -10.317 2.390 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.599 -10.899 4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.756 -11.740 2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.602 -13.287 2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.640 -12.353 3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.797 -14.339 4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.202 -12.881 5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.495 -14.605 5.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.088 -13.156 4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.653 -14.481 3.468 1.00 0.00 H new ATOM 878 N ARG A 54 10.556 -7.908 0.024 1.00 0.00 N ATOM 879 CA ARG A 54 11.496 -7.021 -0.648 1.00 0.00 C ATOM 880 C ARG A 54 10.992 -5.587 -0.645 1.00 0.00 C ATOM 881 O ARG A 54 11.764 -4.646 -0.457 1.00 0.00 O ATOM 882 CB ARG A 54 11.713 -7.470 -2.090 1.00 0.00 C ATOM 883 CG ARG A 54 12.296 -8.864 -2.217 1.00 0.00 C ATOM 884 CD ARG A 54 12.459 -9.246 -3.674 1.00 0.00 C ATOM 885 NE ARG A 54 13.059 -10.571 -3.835 1.00 0.00 N ATOM 886 CZ ARG A 54 13.142 -11.219 -4.999 1.00 0.00 C ATOM 887 NH1 ARG A 54 12.693 -10.655 -6.113 1.00 0.00 N ATOM 888 NH2 ARG A 54 13.682 -12.430 -5.053 1.00 0.00 N ATOM 0 H ARG A 54 9.836 -8.300 -0.583 1.00 0.00 H new ATOM 0 HA ARG A 54 12.439 -7.066 -0.104 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.760 -7.435 -2.618 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.378 -6.762 -2.585 1.00 0.00 H new ATOM 0 HG2 ARG A 54 13.262 -8.907 -1.715 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.645 -9.582 -1.718 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.485 -9.228 -4.163 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.081 -8.504 -4.175 1.00 0.00 H new ATOM 0 HE ARG A 54 13.438 -11.028 -3.006 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.282 -9.722 -6.082 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.759 -11.154 -7.000 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.036 -12.869 -4.203 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.743 -12.922 -5.945 1.00 0.00 H new ATOM 902 N MET A 55 9.699 -5.433 -0.862 1.00 0.00 N ATOM 903 CA MET A 55 9.102 -4.114 -1.001 1.00 0.00 C ATOM 904 C MET A 55 8.572 -3.586 0.329 1.00 0.00 C ATOM 905 O MET A 55 7.759 -4.226 0.994 1.00 0.00 O ATOM 906 CB MET A 55 7.985 -4.151 -2.050 1.00 0.00 C ATOM 907 CG MET A 55 6.850 -5.112 -1.722 1.00 0.00 C ATOM 908 SD MET A 55 5.584 -5.163 -3.005 1.00 0.00 S ATOM 909 CE MET A 55 4.391 -6.268 -2.261 1.00 0.00 C ATOM 0 H MET A 55 9.039 -6.206 -0.946 1.00 0.00 H new ATOM 0 HA MET A 55 9.882 -3.428 -1.332 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.575 -3.147 -2.163 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.415 -4.430 -3.012 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.257 -6.113 -1.580 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.392 -4.817 -0.778 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.444 -6.195 -2.796 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.760 -7.292 -2.315 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.240 -5.991 -1.218 1.00 0.00 H new ATOM 919 N GLN A 56 9.050 -2.413 0.713 1.00 0.00 N ATOM 920 CA GLN A 56 8.565 -1.745 1.910 1.00 0.00 C ATOM 921 C GLN A 56 7.689 -0.564 1.526 1.00 0.00 C ATOM 922 O GLN A 56 8.046 0.230 0.655 1.00 0.00 O ATOM 923 CB GLN A 56 9.734 -1.281 2.777 1.00 0.00 C ATOM 924 CG GLN A 56 10.480 -2.422 3.445 1.00 0.00 C ATOM 925 CD GLN A 56 9.605 -3.212 4.400 1.00 0.00 C ATOM 926 OE1 GLN A 56 8.688 -2.671 5.021 1.00 0.00 O ATOM 927 NE2 GLN A 56 9.877 -4.501 4.524 1.00 0.00 N ATOM 0 H GLN A 56 9.776 -1.902 0.211 1.00 0.00 H new ATOM 0 HA GLN A 56 7.971 -2.452 2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.431 -0.713 2.161 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.361 -0.602 3.544 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.873 -3.092 2.680 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.336 -2.022 3.989 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.644 -4.914 3.993 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.319 -5.082 5.150 1.00 0.00 H new ATOM 936 N LEU A 57 6.542 -0.453 2.179 1.00 0.00 N ATOM 937 CA LEU A 57 5.571 0.575 1.836 1.00 0.00 C ATOM 938 C LEU A 57 5.773 1.816 2.694 1.00 0.00 C ATOM 939 O LEU A 57 5.835 1.729 3.924 1.00 0.00 O ATOM 940 CB LEU A 57 4.146 0.057 2.038 1.00 0.00 C ATOM 941 CG LEU A 57 3.823 -1.288 1.383 1.00 0.00 C ATOM 942 CD1 LEU A 57 2.368 -1.649 1.620 1.00 0.00 C ATOM 943 CD2 LEU A 57 4.125 -1.259 -0.106 1.00 0.00 C ATOM 0 H LEU A 57 6.261 -1.061 2.948 1.00 0.00 H new ATOM 0 HA LEU A 57 5.719 0.834 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.960 -0.028 3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.451 0.803 1.652 1.00 0.00 H new ATOM 0 HG LEU A 57 4.456 -2.049 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.150 -2.608 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.180 -1.720 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.727 -0.879 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.886 -2.228 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.524 -0.486 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.182 -1.043 -0.259 1.00 0.00 H new ATOM 955 N TYR A 58 5.873 2.966 2.047 1.00 0.00 N ATOM 956 CA TYR A 58 6.003 4.231 2.751 1.00 0.00 C ATOM 957 C TYR A 58 4.976 5.231 2.252 1.00 0.00 C ATOM 958 O TYR A 58 4.699 5.311 1.054 1.00 0.00 O ATOM 959 CB TYR A 58 7.410 4.802 2.589 1.00 0.00 C ATOM 960 CG TYR A 58 8.456 4.057 3.381 1.00 0.00 C ATOM 961 CD1 TYR A 58 9.102 2.946 2.853 1.00 0.00 C ATOM 962 CD2 TYR A 58 8.798 4.467 4.662 1.00 0.00 C ATOM 963 CE1 TYR A 58 10.056 2.265 3.581 1.00 0.00 C ATOM 964 CE2 TYR A 58 9.752 3.792 5.396 1.00 0.00 C ATOM 965 CZ TYR A 58 10.378 2.693 4.850 1.00 0.00 C ATOM 966 OH TYR A 58 11.332 2.019 5.576 1.00 0.00 O ATOM 0 H TYR A 58 5.867 3.049 1.030 1.00 0.00 H new ATOM 0 HA TYR A 58 5.824 4.044 3.810 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.682 4.783 1.534 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.407 5.847 2.898 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.854 2.610 1.857 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.309 5.329 5.092 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.547 1.401 3.158 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.006 4.123 6.392 1.00 0.00 H new ATOM 0 HH TYR A 58 11.442 2.449 6.450 1.00 0.00 H new ATOM 976 N TYR A 59 4.406 5.978 3.179 1.00 0.00 N ATOM 977 CA TYR A 59 3.409 6.981 2.854 1.00 0.00 C ATOM 978 C TYR A 59 3.665 8.252 3.647 1.00 0.00 C ATOM 979 O TYR A 59 3.593 8.242 4.873 1.00 0.00 O ATOM 980 CB TYR A 59 2.009 6.442 3.153 1.00 0.00 C ATOM 981 CG TYR A 59 0.905 7.459 2.984 1.00 0.00 C ATOM 982 CD1 TYR A 59 0.721 8.122 1.777 1.00 0.00 C ATOM 983 CD2 TYR A 59 0.040 7.748 4.031 1.00 0.00 C ATOM 984 CE1 TYR A 59 -0.293 9.044 1.620 1.00 0.00 C ATOM 985 CE2 TYR A 59 -0.977 8.670 3.881 1.00 0.00 C ATOM 986 CZ TYR A 59 -1.139 9.316 2.675 1.00 0.00 C ATOM 987 OH TYR A 59 -2.157 10.231 2.516 1.00 0.00 O ATOM 0 H TYR A 59 4.620 5.907 4.174 1.00 0.00 H new ATOM 0 HA TYR A 59 3.476 7.215 1.792 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.810 5.594 2.497 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.988 6.066 4.176 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.382 7.912 0.949 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.165 7.244 4.978 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.424 9.551 0.675 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.642 8.884 4.705 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.662 10.307 3.352 1.00 0.00 H new ATOM 997 N SER A 60 3.981 9.333 2.936 1.00 0.00 N ATOM 998 CA SER A 60 4.265 10.644 3.536 1.00 0.00 C ATOM 999 C SER A 60 5.340 10.550 4.627 1.00 0.00 C ATOM 1000 O SER A 60 5.336 11.319 5.591 1.00 0.00 O ATOM 1001 CB SER A 60 2.977 11.295 4.083 1.00 0.00 C ATOM 1002 OG SER A 60 2.332 10.486 5.053 1.00 0.00 O ATOM 0 H SER A 60 4.049 9.328 1.918 1.00 0.00 H new ATOM 0 HA SER A 60 4.659 11.283 2.746 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.221 12.262 4.524 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.291 11.485 3.258 1.00 0.00 H new ATOM 0 HG SER A 60 2.934 9.764 5.330 1.00 0.00 H new ATOM 1008 N GLY A 61 6.280 9.623 4.455 1.00 0.00 N ATOM 1009 CA GLY A 61 7.349 9.448 5.424 1.00 0.00 C ATOM 1010 C GLY A 61 6.980 8.492 6.546 1.00 0.00 C ATOM 1011 O GLY A 61 7.775 8.251 7.459 1.00 0.00 O ATOM 0 H GLY A 61 6.320 8.988 3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.237 9.076 4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.609 10.417 5.850 1.00 0.00 H new ATOM 1015 N ILE A 62 5.774 7.953 6.486 1.00 0.00 N ATOM 1016 CA ILE A 62 5.302 7.013 7.489 1.00 0.00 C ATOM 1017 C ILE A 62 5.626 5.586 7.066 1.00 0.00 C ATOM 1018 O ILE A 62 5.290 5.168 5.955 1.00 0.00 O ATOM 1019 CB ILE A 62 3.779 7.147 7.717 1.00 0.00 C ATOM 1020 CG1 ILE A 62 3.417 8.586 8.107 1.00 0.00 C ATOM 1021 CG2 ILE A 62 3.312 6.174 8.790 1.00 0.00 C ATOM 1022 CD1 ILE A 62 1.926 8.837 8.183 1.00 0.00 C ATOM 0 H ILE A 62 5.099 8.152 5.747 1.00 0.00 H new ATOM 0 HA ILE A 62 5.812 7.245 8.424 1.00 0.00 H new ATOM 0 HB ILE A 62 3.271 6.903 6.784 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.865 8.815 9.074 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.856 9.271 7.382 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.237 6.283 8.937 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.534 5.154 8.478 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.829 6.388 9.725 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.746 9.875 8.464 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.474 8.640 7.211 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.484 8.177 8.929 1.00 0.00 H new ATOM 1034 N GLU A 63 6.292 4.856 7.946 1.00 0.00 N ATOM 1035 CA GLU A 63 6.645 3.471 7.691 1.00 0.00 C ATOM 1036 C GLU A 63 5.457 2.564 7.988 1.00 0.00 C ATOM 1037 O GLU A 63 4.976 2.505 9.123 1.00 0.00 O ATOM 1038 CB GLU A 63 7.845 3.069 8.556 1.00 0.00 C ATOM 1039 CG GLU A 63 8.257 1.615 8.403 1.00 0.00 C ATOM 1040 CD GLU A 63 9.357 1.221 9.367 1.00 0.00 C ATOM 1041 OE1 GLU A 63 9.072 1.069 10.575 1.00 0.00 O ATOM 1042 OE2 GLU A 63 10.512 1.058 8.927 1.00 0.00 O ATOM 0 H GLU A 63 6.601 5.206 8.853 1.00 0.00 H new ATOM 0 HA GLU A 63 6.915 3.363 6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.693 3.705 8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.606 3.260 9.602 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.389 0.976 8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.594 1.441 7.381 1.00 0.00 H new ATOM 1049 N LEU A 64 4.968 1.873 6.970 1.00 0.00 N ATOM 1050 CA LEU A 64 3.864 0.947 7.160 1.00 0.00 C ATOM 1051 C LEU A 64 4.395 -0.387 7.676 1.00 0.00 C ATOM 1052 O LEU A 64 4.515 -1.356 6.926 1.00 0.00 O ATOM 1053 CB LEU A 64 3.083 0.752 5.857 1.00 0.00 C ATOM 1054 CG LEU A 64 2.576 2.042 5.196 1.00 0.00 C ATOM 1055 CD1 LEU A 64 1.719 1.720 3.983 1.00 0.00 C ATOM 1056 CD2 LEU A 64 1.789 2.886 6.188 1.00 0.00 C ATOM 0 H LEU A 64 5.315 1.935 6.013 1.00 0.00 H new ATOM 0 HA LEU A 64 3.179 1.365 7.897 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.720 0.225 5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.228 0.106 6.058 1.00 0.00 H new ATOM 0 HG LEU A 64 3.443 2.616 4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.369 2.647 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.310 1.161 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.862 1.121 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.440 3.794 5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.932 2.318 6.550 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.430 3.151 7.029 1.00 0.00 H new ATOM 1068 N ALA A 65 4.749 -0.412 8.955 1.00 0.00 N ATOM 1069 CA ALA A 65 5.369 -1.586 9.559 1.00 0.00 C ATOM 1070 C ALA A 65 4.346 -2.486 10.237 1.00 0.00 C ATOM 1071 O ALA A 65 4.603 -3.671 10.461 1.00 0.00 O ATOM 1072 CB ALA A 65 6.433 -1.159 10.557 1.00 0.00 C ATOM 0 H ALA A 65 4.617 0.370 9.596 1.00 0.00 H new ATOM 0 HA ALA A 65 5.832 -2.162 8.758 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.890 -2.043 11.002 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.198 -0.574 10.046 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.976 -0.554 11.340 1.00 0.00 H new ATOM 1078 N ASP A 66 3.195 -1.931 10.576 1.00 0.00 N ATOM 1079 CA ASP A 66 2.150 -2.715 11.214 1.00 0.00 C ATOM 1080 C ASP A 66 1.123 -3.158 10.189 1.00 0.00 C ATOM 1081 O ASP A 66 0.384 -2.341 9.643 1.00 0.00 O ATOM 1082 CB ASP A 66 1.463 -1.932 12.331 1.00 0.00 C ATOM 1083 CG ASP A 66 2.379 -1.632 13.500 1.00 0.00 C ATOM 1084 OD1 ASP A 66 3.027 -2.572 14.012 1.00 0.00 O ATOM 1085 OD2 ASP A 66 2.422 -0.461 13.937 1.00 0.00 O ATOM 0 H ASP A 66 2.961 -0.950 10.422 1.00 0.00 H new ATOM 0 HA ASP A 66 2.621 -3.593 11.656 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.081 -0.994 11.927 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.603 -2.499 12.688 1.00 0.00 H new ATOM 1090 N ASP A 67 1.078 -4.457 9.943 1.00 0.00 N ATOM 1091 CA ASP A 67 0.209 -5.026 8.920 1.00 0.00 C ATOM 1092 C ASP A 67 -1.240 -5.080 9.379 1.00 0.00 C ATOM 1093 O ASP A 67 -2.159 -5.166 8.564 1.00 0.00 O ATOM 1094 CB ASP A 67 0.678 -6.433 8.561 1.00 0.00 C ATOM 1095 CG ASP A 67 1.953 -6.428 7.746 1.00 0.00 C ATOM 1096 OD1 ASP A 67 1.890 -6.139 6.537 1.00 0.00 O ATOM 1097 OD2 ASP A 67 3.025 -6.723 8.312 1.00 0.00 O ATOM 0 H ASP A 67 1.639 -5.146 10.443 1.00 0.00 H new ATOM 0 HA ASP A 67 0.265 -4.379 8.044 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.837 -7.004 9.476 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.106 -6.942 8.000 1.00 0.00 H new ATOM 1102 N TYR A 68 -1.435 -5.026 10.687 1.00 0.00 N ATOM 1103 CA TYR A 68 -2.763 -5.167 11.272 1.00 0.00 C ATOM 1104 C TYR A 68 -3.495 -3.829 11.359 1.00 0.00 C ATOM 1105 O TYR A 68 -4.684 -3.786 11.673 1.00 0.00 O ATOM 1106 CB TYR A 68 -2.665 -5.812 12.659 1.00 0.00 C ATOM 1107 CG TYR A 68 -1.628 -5.177 13.556 1.00 0.00 C ATOM 1108 CD1 TYR A 68 -1.945 -4.101 14.375 1.00 0.00 C ATOM 1109 CD2 TYR A 68 -0.323 -5.654 13.579 1.00 0.00 C ATOM 1110 CE1 TYR A 68 -0.992 -3.520 15.186 1.00 0.00 C ATOM 1111 CE2 TYR A 68 0.634 -5.079 14.389 1.00 0.00 C ATOM 1112 CZ TYR A 68 0.297 -4.011 15.192 1.00 0.00 C ATOM 1113 OH TYR A 68 1.248 -3.428 15.999 1.00 0.00 O ATOM 0 H TYR A 68 -0.689 -4.885 11.368 1.00 0.00 H new ATOM 0 HA TYR A 68 -3.344 -5.814 10.615 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.638 -5.753 13.146 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.431 -6.870 12.541 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.953 -3.713 14.377 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.053 -6.490 12.951 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.255 -2.682 15.815 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.643 -5.464 14.394 1.00 0.00 H new ATOM 0 HH TYR A 68 2.014 -3.150 15.454 1.00 0.00 H new ATOM 1123 N ARG A 69 -2.792 -2.736 11.080 1.00 0.00 N ATOM 1124 CA ARG A 69 -3.411 -1.416 11.109 1.00 0.00 C ATOM 1125 C ARG A 69 -4.147 -1.153 9.810 1.00 0.00 C ATOM 1126 O ARG A 69 -3.785 -1.686 8.757 1.00 0.00 O ATOM 1127 CB ARG A 69 -2.374 -0.317 11.340 1.00 0.00 C ATOM 1128 CG ARG A 69 -1.778 -0.317 12.734 1.00 0.00 C ATOM 1129 CD ARG A 69 -0.550 0.567 12.796 1.00 0.00 C ATOM 1130 NE ARG A 69 -0.804 1.897 13.343 1.00 0.00 N ATOM 1131 CZ ARG A 69 0.157 2.667 13.857 1.00 0.00 C ATOM 1132 NH1 ARG A 69 1.400 2.199 13.967 1.00 0.00 N ATOM 1133 NH2 ARG A 69 -0.120 3.890 14.277 1.00 0.00 N ATOM 0 H ARG A 69 -1.802 -2.737 10.833 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.117 -1.401 11.939 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.571 -0.431 10.612 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.838 0.652 11.154 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.520 0.034 13.451 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.513 -1.335 13.021 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.210 0.074 13.403 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.138 0.671 11.792 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.760 2.254 13.332 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.617 1.252 13.658 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.134 2.788 14.360 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.072 4.249 14.209 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.619 4.474 14.669 1.00 0.00 H new ATOM 1147 N ASN A 70 -5.177 -0.336 9.895 1.00 0.00 N ATOM 1148 CA ASN A 70 -5.967 0.028 8.731 1.00 0.00 C ATOM 1149 C ASN A 70 -5.312 1.207 8.033 1.00 0.00 C ATOM 1150 O ASN A 70 -4.542 1.947 8.646 1.00 0.00 O ATOM 1151 CB ASN A 70 -7.401 0.400 9.135 1.00 0.00 C ATOM 1152 CG ASN A 70 -8.173 -0.734 9.792 1.00 0.00 C ATOM 1153 OD1 ASN A 70 -7.599 -1.644 10.392 1.00 0.00 O ATOM 1154 ND2 ASN A 70 -9.492 -0.665 9.710 1.00 0.00 N ATOM 0 H ASN A 70 -5.491 0.093 10.766 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.013 -0.828 8.057 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.366 1.247 9.820 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.943 0.729 8.249 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.069 -1.381 10.152 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.932 0.104 9.204 1.00 0.00 H new ATOM 1161 N LEU A 71 -5.616 1.387 6.763 1.00 0.00 N ATOM 1162 CA LEU A 71 -5.045 2.484 5.999 1.00 0.00 C ATOM 1163 C LEU A 71 -5.532 3.830 6.534 1.00 0.00 C ATOM 1164 O LEU A 71 -4.788 4.812 6.547 1.00 0.00 O ATOM 1165 CB LEU A 71 -5.405 2.336 4.523 1.00 0.00 C ATOM 1166 CG LEU A 71 -4.980 1.010 3.890 1.00 0.00 C ATOM 1167 CD1 LEU A 71 -5.367 0.981 2.425 1.00 0.00 C ATOM 1168 CD2 LEU A 71 -3.484 0.791 4.052 1.00 0.00 C ATOM 0 H LEU A 71 -6.254 0.790 6.237 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.961 2.451 6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.484 2.446 4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.944 3.152 3.967 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.498 0.200 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.059 0.032 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.448 1.090 2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.873 1.800 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.204 -0.158 3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.943 1.602 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.232 0.771 5.112 1.00 0.00 H new ATOM 1180 N ASN A 72 -6.779 3.864 6.992 1.00 0.00 N ATOM 1181 CA ASN A 72 -7.352 5.083 7.555 1.00 0.00 C ATOM 1182 C ASN A 72 -6.622 5.491 8.836 1.00 0.00 C ATOM 1183 O ASN A 72 -6.581 6.670 9.174 1.00 0.00 O ATOM 1184 CB ASN A 72 -8.861 4.931 7.812 1.00 0.00 C ATOM 1185 CG ASN A 72 -9.196 3.962 8.929 1.00 0.00 C ATOM 1186 OD1 ASN A 72 -9.357 2.764 8.703 1.00 0.00 O ATOM 1187 ND2 ASN A 72 -9.333 4.477 10.140 1.00 0.00 N ATOM 0 H ASN A 72 -7.412 3.064 6.985 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.220 5.876 6.819 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.279 5.908 8.053 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.344 4.595 6.895 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.580 3.875 10.925 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.191 5.476 10.288 1.00 0.00 H new ATOM 1194 N GLU A 73 -6.048 4.513 9.543 1.00 0.00 N ATOM 1195 CA GLU A 73 -5.271 4.789 10.756 1.00 0.00 C ATOM 1196 C GLU A 73 -4.119 5.739 10.441 1.00 0.00 C ATOM 1197 O GLU A 73 -3.863 6.694 11.176 1.00 0.00 O ATOM 1198 CB GLU A 73 -4.707 3.491 11.352 1.00 0.00 C ATOM 1199 CG GLU A 73 -5.761 2.449 11.689 1.00 0.00 C ATOM 1200 CD GLU A 73 -6.606 2.819 12.889 1.00 0.00 C ATOM 1201 OE1 GLU A 73 -6.203 2.490 14.021 1.00 0.00 O ATOM 1202 OE2 GLU A 73 -7.685 3.422 12.707 1.00 0.00 O ATOM 0 H GLU A 73 -6.106 3.525 9.297 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.938 5.252 11.483 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.998 3.059 10.646 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.149 3.733 12.257 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.411 2.307 10.826 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.271 1.494 11.879 1.00 0.00 H new ATOM 1209 N TYR A 74 -3.441 5.481 9.327 1.00 0.00 N ATOM 1210 CA TYR A 74 -2.307 6.297 8.907 1.00 0.00 C ATOM 1211 C TYR A 74 -2.781 7.590 8.252 1.00 0.00 C ATOM 1212 O TYR A 74 -1.989 8.497 8.000 1.00 0.00 O ATOM 1213 CB TYR A 74 -1.426 5.529 7.920 1.00 0.00 C ATOM 1214 CG TYR A 74 -0.875 4.224 8.451 1.00 0.00 C ATOM 1215 CD1 TYR A 74 0.244 4.202 9.273 1.00 0.00 C ATOM 1216 CD2 TYR A 74 -1.466 3.013 8.114 1.00 0.00 C ATOM 1217 CE1 TYR A 74 0.759 3.008 9.745 1.00 0.00 C ATOM 1218 CE2 TYR A 74 -0.959 1.818 8.583 1.00 0.00 C ATOM 1219 CZ TYR A 74 0.154 1.820 9.396 1.00 0.00 C ATOM 1220 OH TYR A 74 0.663 0.630 9.864 1.00 0.00 O ATOM 0 H TYR A 74 -3.659 4.710 8.696 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.727 6.539 9.798 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.005 5.324 7.020 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.593 6.167 7.625 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.720 5.132 9.548 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.336 3.006 7.475 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.630 3.007 10.383 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.432 0.885 8.314 1.00 0.00 H new ATOM 0 HH TYR A 74 1.408 0.810 10.475 1.00 0.00 H new ATOM 1230 N GLY A 75 -4.076 7.662 7.972 1.00 0.00 N ATOM 1231 CA GLY A 75 -4.628 8.819 7.297 1.00 0.00 C ATOM 1232 C GLY A 75 -4.518 8.703 5.792 1.00 0.00 C ATOM 1233 O GLY A 75 -4.387 9.703 5.092 1.00 0.00 O ATOM 0 H GLY A 75 -4.755 6.937 8.202 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.675 8.936 7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.107 9.716 7.631 1.00 0.00 H new ATOM 1237 N ILE A 76 -4.570 7.477 5.293 1.00 0.00 N ATOM 1238 CA ILE A 76 -4.455 7.237 3.865 1.00 0.00 C ATOM 1239 C ILE A 76 -5.777 7.525 3.161 1.00 0.00 C ATOM 1240 O ILE A 76 -6.781 6.851 3.395 1.00 0.00 O ATOM 1241 CB ILE A 76 -4.001 5.789 3.569 1.00 0.00 C ATOM 1242 CG1 ILE A 76 -2.618 5.542 4.181 1.00 0.00 C ATOM 1243 CG2 ILE A 76 -3.983 5.524 2.069 1.00 0.00 C ATOM 1244 CD1 ILE A 76 -2.049 4.172 3.882 1.00 0.00 C ATOM 0 H ILE A 76 -4.691 6.635 5.856 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.694 7.916 3.480 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.713 5.099 4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.927 6.300 3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.682 5.670 5.262 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.661 4.499 1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.984 5.668 1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.292 6.214 1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.069 4.075 4.349 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.717 3.406 4.277 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.951 4.046 2.804 1.00 0.00 H new ATOM 1256 N THR A 77 -5.771 8.552 2.326 1.00 0.00 N ATOM 1257 CA THR A 77 -6.939 8.917 1.540 1.00 0.00 C ATOM 1258 C THR A 77 -6.714 8.524 0.075 1.00 0.00 C ATOM 1259 O THR A 77 -5.744 7.830 -0.241 1.00 0.00 O ATOM 1260 CB THR A 77 -7.230 10.439 1.662 1.00 0.00 C ATOM 1261 OG1 THR A 77 -8.466 10.778 1.011 1.00 0.00 O ATOM 1262 CG2 THR A 77 -6.093 11.265 1.069 1.00 0.00 C ATOM 0 H THR A 77 -4.961 9.153 2.174 1.00 0.00 H new ATOM 0 HA THR A 77 -7.807 8.380 1.923 1.00 0.00 H new ATOM 0 HB THR A 77 -7.314 10.672 2.724 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.630 11.740 1.102 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.324 12.326 1.168 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.167 11.044 1.600 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.974 11.017 0.014 1.00 0.00 H new ATOM 1270 N GLU A 78 -7.608 8.943 -0.812 1.00 0.00 N ATOM 1271 CA GLU A 78 -7.457 8.657 -2.229 1.00 0.00 C ATOM 1272 C GLU A 78 -6.314 9.476 -2.820 1.00 0.00 C ATOM 1273 O GLU A 78 -6.017 10.575 -2.346 1.00 0.00 O ATOM 1274 CB GLU A 78 -8.755 8.941 -2.990 1.00 0.00 C ATOM 1275 CG GLU A 78 -8.632 8.741 -4.494 1.00 0.00 C ATOM 1276 CD GLU A 78 -9.925 8.992 -5.231 1.00 0.00 C ATOM 1277 OE1 GLU A 78 -10.420 10.137 -5.201 1.00 0.00 O ATOM 1278 OE2 GLU A 78 -10.446 8.046 -5.852 1.00 0.00 O ATOM 0 H GLU A 78 -8.442 9.480 -0.574 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.224 7.597 -2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.541 8.290 -2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.066 9.967 -2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.864 9.410 -4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.299 7.723 -4.693 1.00 0.00 H new ATOM 1285 N PHE A 79 -5.670 8.911 -3.838 1.00 0.00 N ATOM 1286 CA PHE A 79 -4.562 9.550 -4.534 1.00 0.00 C ATOM 1287 C PHE A 79 -3.369 9.677 -3.597 1.00 0.00 C ATOM 1288 O PHE A 79 -2.528 10.563 -3.742 1.00 0.00 O ATOM 1289 CB PHE A 79 -4.972 10.914 -5.096 1.00 0.00 C ATOM 1290 CG PHE A 79 -4.185 11.312 -6.310 1.00 0.00 C ATOM 1291 CD1 PHE A 79 -4.475 10.751 -7.543 1.00 0.00 C ATOM 1292 CD2 PHE A 79 -3.158 12.238 -6.223 1.00 0.00 C ATOM 1293 CE1 PHE A 79 -3.756 11.107 -8.667 1.00 0.00 C ATOM 1294 CE2 PHE A 79 -2.437 12.598 -7.344 1.00 0.00 C ATOM 1295 CZ PHE A 79 -2.736 12.030 -8.567 1.00 0.00 C ATOM 0 H PHE A 79 -5.906 7.989 -4.204 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.276 8.926 -5.381 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.032 10.892 -5.349 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.844 11.672 -4.323 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.272 10.027 -7.626 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.919 12.683 -5.268 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.992 10.663 -9.623 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.640 13.323 -7.265 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.171 12.308 -9.445 1.00 0.00 H new ATOM 1305 N SER A 80 -3.316 8.782 -2.629 1.00 0.00 N ATOM 1306 CA SER A 80 -2.181 8.686 -1.741 1.00 0.00 C ATOM 1307 C SER A 80 -1.016 8.049 -2.484 1.00 0.00 C ATOM 1308 O SER A 80 -1.155 6.967 -3.063 1.00 0.00 O ATOM 1309 CB SER A 80 -2.561 7.864 -0.511 1.00 0.00 C ATOM 1310 OG SER A 80 -3.353 6.747 -0.876 1.00 0.00 O ATOM 0 H SER A 80 -4.056 8.106 -2.439 1.00 0.00 H new ATOM 0 HA SER A 80 -1.881 9.680 -1.409 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.659 7.525 -0.002 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.109 8.489 0.194 1.00 0.00 H new ATOM 0 HG SER A 80 -4.298 6.948 -0.712 1.00 0.00 H new ATOM 1316 N GLU A 81 0.117 8.728 -2.498 1.00 0.00 N ATOM 1317 CA GLU A 81 1.257 8.245 -3.243 1.00 0.00 C ATOM 1318 C GLU A 81 2.124 7.364 -2.355 1.00 0.00 C ATOM 1319 O GLU A 81 2.810 7.846 -1.453 1.00 0.00 O ATOM 1320 CB GLU A 81 2.056 9.416 -3.813 1.00 0.00 C ATOM 1321 CG GLU A 81 3.025 8.998 -4.898 1.00 0.00 C ATOM 1322 CD GLU A 81 3.742 10.168 -5.534 1.00 0.00 C ATOM 1323 OE1 GLU A 81 4.803 10.576 -5.013 1.00 0.00 O ATOM 1324 OE2 GLU A 81 3.265 10.666 -6.576 1.00 0.00 O ATOM 0 H GLU A 81 0.268 9.608 -2.005 1.00 0.00 H new ATOM 0 HA GLU A 81 0.906 7.643 -4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.366 10.158 -4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.608 9.899 -3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.761 8.314 -4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.484 8.448 -5.668 1.00 0.00 H new ATOM 1331 N ILE A 82 2.059 6.068 -2.598 1.00 0.00 N ATOM 1332 CA ILE A 82 2.803 5.101 -1.814 1.00 0.00 C ATOM 1333 C ILE A 82 4.164 4.859 -2.443 1.00 0.00 C ATOM 1334 O ILE A 82 4.267 4.309 -3.544 1.00 0.00 O ATOM 1335 CB ILE A 82 2.051 3.756 -1.696 1.00 0.00 C ATOM 1336 CG1 ILE A 82 0.647 3.969 -1.126 1.00 0.00 C ATOM 1337 CG2 ILE A 82 2.835 2.776 -0.830 1.00 0.00 C ATOM 1338 CD1 ILE A 82 0.624 4.659 0.220 1.00 0.00 C ATOM 0 H ILE A 82 1.492 5.658 -3.340 1.00 0.00 H new ATOM 0 HA ILE A 82 2.921 5.515 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 82 1.955 3.332 -2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.065 4.558 -1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.153 3.002 -1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.289 1.835 -0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.812 2.595 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.965 3.196 0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.408 4.772 0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.176 4.061 0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.087 5.642 0.133 1.00 0.00 H new ATOM 1350 N VAL A 83 5.199 5.281 -1.746 1.00 0.00 N ATOM 1351 CA VAL A 83 6.556 5.114 -2.223 1.00 0.00 C ATOM 1352 C VAL A 83 7.097 3.770 -1.766 1.00 0.00 C ATOM 1353 O VAL A 83 7.240 3.522 -0.567 1.00 0.00 O ATOM 1354 CB VAL A 83 7.481 6.241 -1.721 1.00 0.00 C ATOM 1355 CG1 VAL A 83 8.882 6.081 -2.291 1.00 0.00 C ATOM 1356 CG2 VAL A 83 6.909 7.605 -2.078 1.00 0.00 C ATOM 0 H VAL A 83 5.125 5.745 -0.841 1.00 0.00 H new ATOM 0 HA VAL A 83 6.535 5.158 -3.312 1.00 0.00 H new ATOM 0 HB VAL A 83 7.544 6.171 -0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.518 6.886 -1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.295 5.122 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.839 6.120 -3.379 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.577 8.386 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.811 7.686 -3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.929 7.721 -1.615 1.00 0.00 H new ATOM 1366 N VAL A 84 7.365 2.895 -2.715 1.00 0.00 N ATOM 1367 CA VAL A 84 7.867 1.577 -2.395 1.00 0.00 C ATOM 1368 C VAL A 84 9.389 1.566 -2.405 1.00 0.00 C ATOM 1369 O VAL A 84 10.022 1.742 -3.449 1.00 0.00 O ATOM 1370 CB VAL A 84 7.328 0.511 -3.368 1.00 0.00 C ATOM 1371 CG1 VAL A 84 7.842 -0.865 -2.986 1.00 0.00 C ATOM 1372 CG2 VAL A 84 5.807 0.530 -3.390 1.00 0.00 C ATOM 0 H VAL A 84 7.243 3.074 -3.712 1.00 0.00 H new ATOM 0 HA VAL A 84 7.514 1.330 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 84 7.687 0.744 -4.370 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.452 -1.606 -3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.931 -0.870 -3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.513 -1.109 -1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.444 -0.229 -4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.426 0.321 -2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.460 1.512 -3.713 1.00 0.00 H new ATOM 1382 N PHE A 85 9.965 1.389 -1.229 1.00 0.00 N ATOM 1383 CA PHE A 85 11.405 1.272 -1.094 1.00 0.00 C ATOM 1384 C PHE A 85 11.789 -0.191 -0.975 1.00 0.00 C ATOM 1385 O PHE A 85 11.323 -0.895 -0.080 1.00 0.00 O ATOM 1386 CB PHE A 85 11.908 2.056 0.122 1.00 0.00 C ATOM 1387 CG PHE A 85 11.923 3.545 -0.080 1.00 0.00 C ATOM 1388 CD1 PHE A 85 12.811 4.122 -0.973 1.00 0.00 C ATOM 1389 CD2 PHE A 85 11.062 4.367 0.627 1.00 0.00 C ATOM 1390 CE1 PHE A 85 12.839 5.491 -1.155 1.00 0.00 C ATOM 1391 CE2 PHE A 85 11.084 5.736 0.448 1.00 0.00 C ATOM 1392 CZ PHE A 85 11.975 6.298 -0.444 1.00 0.00 C ATOM 0 H PHE A 85 9.453 1.323 -0.349 1.00 0.00 H new ATOM 0 HA PHE A 85 11.873 1.696 -1.982 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.278 1.821 0.980 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.916 1.722 0.366 1.00 0.00 H new ATOM 0 HD1 PHE A 85 13.489 3.495 -1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.364 3.932 1.327 1.00 0.00 H new ATOM 0 HE1 PHE A 85 13.537 5.929 -1.853 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.406 6.366 1.005 1.00 0.00 H new ATOM 0 HZ PHE A 85 11.996 7.369 -0.585 1.00 0.00 H new ATOM 1402 N LEU A 86 12.619 -0.656 -1.890 1.00 0.00 N ATOM 1403 CA LEU A 86 13.016 -2.051 -1.897 1.00 0.00 C ATOM 1404 C LEU A 86 14.248 -2.262 -1.033 1.00 0.00 C ATOM 1405 O LEU A 86 15.112 -1.389 -0.937 1.00 0.00 O ATOM 1406 CB LEU A 86 13.284 -2.540 -3.323 1.00 0.00 C ATOM 1407 CG LEU A 86 12.101 -2.425 -4.288 1.00 0.00 C ATOM 1408 CD1 LEU A 86 12.407 -3.122 -5.602 1.00 0.00 C ATOM 1409 CD2 LEU A 86 10.839 -3.002 -3.671 1.00 0.00 C ATOM 0 H LEU A 86 13.029 -0.092 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 86 12.193 -2.633 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.121 -1.974 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.595 -3.584 -3.279 1.00 0.00 H new ATOM 0 HG LEU A 86 11.935 -1.366 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.552 -3.027 -6.272 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.282 -2.663 -6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.607 -4.177 -5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.013 -2.908 -4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.997 -4.054 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.599 -2.458 -2.757 1.00 0.00 H new ATOM 1421 N LYS A 87 14.307 -3.419 -0.392 1.00 0.00 N ATOM 1422 CA LYS A 87 15.463 -3.801 0.408 1.00 0.00 C ATOM 1423 C LYS A 87 16.633 -4.166 -0.502 1.00 0.00 C ATOM 1424 O LYS A 87 16.581 -3.952 -1.718 1.00 0.00 O ATOM 1425 CB LYS A 87 15.116 -4.996 1.303 1.00 0.00 C ATOM 1426 CG LYS A 87 13.950 -4.763 2.258 1.00 0.00 C ATOM 1427 CD LYS A 87 14.338 -3.902 3.457 1.00 0.00 C ATOM 1428 CE LYS A 87 14.369 -2.418 3.127 1.00 0.00 C ATOM 1429 NZ LYS A 87 14.645 -1.593 4.336 1.00 0.00 N ATOM 0 H LYS A 87 13.562 -4.115 -0.410 1.00 0.00 H new ATOM 0 HA LYS A 87 15.746 -2.956 1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.882 -5.851 0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.997 -5.263 1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.134 -4.282 1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.576 -5.724 2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.630 -4.075 4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.319 -4.210 3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.134 -2.228 2.374 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.414 -2.121 2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.659 -0.587 4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.901 -1.756 5.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 15.568 -1.860 4.735 1.00 0.00 H new