USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 722 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 58 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= -0.398 USER MOD Set 2.1: A 10 ASN : amide:sc= -0.139 K(o=-0.48,f=-6.4!) USER MOD Set 2.2: A 107 THR OG1 : rot -90:sc= -0.341 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.218 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0291) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 22 THR OG1 : rot 44:sc= 0.632 USER MOD Single : A 25 HIS : no HE2:sc= -2.28 K(o=-2.3,f=-6.4!) USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= -0.0367 (180deg=-0.321) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 137:sc= -2.97! (180deg=-5.3!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 48 SER OG : rot 49:sc= -0.639! USER MOD Single : A 56 CYS SG : rot 37:sc= -2.58! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -155:sc= -0.304 (180deg=-1.39) USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= -0.018 (180deg=-0.221) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.00063) USER MOD Single : A 86 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-4) USER MOD Single : A 87 THR OG1 : rot -148:sc= 1.24 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -79:sc= -2.6 USER MOD Single : A 100 LYS NZ :NH3+ 172:sc= 0.00274 (180deg=-0.0168) USER MOD Single : A 103 ASN : amide:sc= -10.5! C(o=-11!,f=-11!) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.56 USER MOD Single : A 109 HIS : no HE2:sc= -0.759 K(o=-0.76,f=-1.9) USER MOD Single : A 111 ASN : amide:sc= -1.16 K(o=-1.2,f=-4.9!) USER MOD Single : A 113 LYS NZ :NH3+ 140:sc= -0.359 (180deg=-1) USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 -0.661 -7.607 13.403 1.00 0.00 N ATOM 180 CA ASN A 10 -0.414 -7.207 12.028 1.00 0.00 C ATOM 181 C ASN A 10 0.685 -8.039 11.380 1.00 0.00 C ATOM 182 O ASN A 10 0.409 -9.040 10.718 1.00 0.00 O ATOM 183 CB ASN A 10 -0.064 -5.721 11.968 1.00 0.00 C ATOM 184 CG ASN A 10 0.817 -5.269 13.119 1.00 0.00 C ATOM 185 OD1 ASN A 10 2.043 -5.272 13.023 1.00 0.00 O ATOM 186 ND2 ASN A 10 0.188 -4.870 14.220 1.00 0.00 N ATOM 0 HA ASN A 10 -1.329 -7.384 11.463 1.00 0.00 H new ATOM 0 HB2 ASN A 10 0.443 -5.511 11.026 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -0.984 -5.137 11.972 1.00 0.00 H new ATOM 0 HD21 ASN A 10 0.725 -4.551 15.027 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.831 -4.883 14.258 1.00 0.00 H new ATOM 193 N ASP A 11 1.928 -7.622 11.571 1.00 0.00 N ATOM 194 CA ASP A 11 3.065 -8.323 10.987 1.00 0.00 C ATOM 195 C ASP A 11 4.280 -8.300 11.922 1.00 0.00 C ATOM 196 O ASP A 11 4.169 -8.648 13.097 1.00 0.00 O ATOM 197 CB ASP A 11 3.412 -7.705 9.631 1.00 0.00 C ATOM 198 CG ASP A 11 4.335 -8.583 8.808 1.00 0.00 C ATOM 199 OD1 ASP A 11 3.926 -9.708 8.455 1.00 0.00 O ATOM 200 OD2 ASP A 11 5.465 -8.141 8.512 1.00 0.00 O ATOM 0 H ASP A 11 2.176 -6.802 12.125 1.00 0.00 H new ATOM 0 HA ASP A 11 2.787 -9.367 10.843 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.494 -7.526 9.072 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.884 -6.735 9.788 1.00 0.00 H new ATOM 205 N LYS A 12 5.438 -7.890 11.397 1.00 0.00 N ATOM 206 CA LYS A 12 6.664 -7.850 12.178 1.00 0.00 C ATOM 207 C LYS A 12 7.686 -6.913 11.521 1.00 0.00 C ATOM 208 O LYS A 12 7.451 -6.411 10.424 1.00 0.00 O ATOM 209 CB LYS A 12 7.213 -9.278 12.281 1.00 0.00 C ATOM 210 CG LYS A 12 8.628 -9.373 12.815 1.00 0.00 C ATOM 211 CD LYS A 12 8.702 -8.987 14.284 1.00 0.00 C ATOM 212 CE LYS A 12 10.134 -9.020 14.795 1.00 0.00 C ATOM 213 NZ LYS A 12 10.220 -8.640 16.233 1.00 0.00 N ATOM 0 H LYS A 12 5.546 -7.581 10.431 1.00 0.00 H new ATOM 0 HA LYS A 12 6.463 -7.463 13.177 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.555 -9.860 12.926 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.180 -9.738 11.293 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.998 -10.390 12.687 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.281 -8.721 12.234 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.288 -7.988 14.420 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.088 -9.669 14.872 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.545 -10.020 14.659 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.747 -8.340 14.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.212 -8.675 16.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.851 -7.676 16.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.656 -9.304 16.802 1.00 0.00 H new ATOM 227 N TRP A 13 8.797 -6.655 12.215 1.00 0.00 N ATOM 228 CA TRP A 13 9.863 -5.803 11.707 1.00 0.00 C ATOM 229 C TRP A 13 11.181 -6.588 11.626 1.00 0.00 C ATOM 230 O TRP A 13 11.635 -7.134 12.631 1.00 0.00 O ATOM 231 CB TRP A 13 10.009 -4.599 12.630 1.00 0.00 C ATOM 232 CG TRP A 13 8.703 -3.904 12.877 1.00 0.00 C ATOM 233 CD1 TRP A 13 7.833 -3.459 11.929 1.00 0.00 C ATOM 234 CD2 TRP A 13 8.112 -3.588 14.145 1.00 0.00 C ATOM 235 NE1 TRP A 13 6.740 -2.880 12.525 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.885 -2.947 13.883 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.499 -3.783 15.473 1.00 0.00 C ATOM 238 CZ2 TRP A 13 6.042 -2.502 14.897 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.661 -3.339 16.482 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.446 -2.707 16.189 1.00 0.00 C ATOM 0 H TRP A 13 8.978 -7.033 13.145 1.00 0.00 H new ATOM 0 HA TRP A 13 9.616 -5.462 10.702 1.00 0.00 H new ATOM 0 HB2 TRP A 13 10.430 -4.924 13.582 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.716 -3.893 12.193 1.00 0.00 H new ATOM 0 HD1 TRP A 13 7.981 -3.548 10.863 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.947 -2.466 12.034 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.434 -4.271 15.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.105 -2.014 14.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.949 -3.483 17.513 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.814 -2.374 16.999 1.00 0.00 H new ATOM 251 N VAL A 14 11.804 -6.640 10.437 1.00 0.00 N ATOM 252 CA VAL A 14 13.052 -7.396 10.267 1.00 0.00 C ATOM 253 C VAL A 14 13.927 -6.796 9.184 1.00 0.00 C ATOM 254 O VAL A 14 13.457 -6.068 8.317 1.00 0.00 O ATOM 255 CB VAL A 14 12.794 -8.885 9.918 1.00 0.00 C ATOM 256 CG1 VAL A 14 11.646 -9.455 10.738 1.00 0.00 C ATOM 257 CG2 VAL A 14 12.537 -9.064 8.427 1.00 0.00 C ATOM 0 H VAL A 14 11.469 -6.175 9.593 1.00 0.00 H new ATOM 0 HA VAL A 14 13.564 -7.338 11.228 1.00 0.00 H new ATOM 0 HB VAL A 14 13.695 -9.442 10.174 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.491 -10.500 10.470 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.887 -9.385 11.799 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.737 -8.889 10.534 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.359 -10.118 8.212 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.662 -8.482 8.136 1.00 0.00 H new ATOM 0 HG23 VAL A 14 13.405 -8.720 7.864 1.00 0.00 H new ATOM 267 N ASP A 15 15.208 -7.121 9.248 1.00 0.00 N ATOM 268 CA ASP A 15 16.181 -6.636 8.284 1.00 0.00 C ATOM 269 C ASP A 15 15.707 -6.871 6.850 1.00 0.00 C ATOM 270 O ASP A 15 14.746 -7.603 6.617 1.00 0.00 O ATOM 271 CB ASP A 15 17.507 -7.343 8.519 1.00 0.00 C ATOM 272 CG ASP A 15 18.265 -6.780 9.704 1.00 0.00 C ATOM 273 OD1 ASP A 15 17.655 -6.637 10.785 1.00 0.00 O ATOM 274 OD2 ASP A 15 19.467 -6.481 9.553 1.00 0.00 O ATOM 0 H ASP A 15 15.601 -7.727 9.968 1.00 0.00 H new ATOM 0 HA ASP A 15 16.303 -5.561 8.420 1.00 0.00 H new ATOM 0 HB2 ASP A 15 17.325 -8.405 8.681 1.00 0.00 H new ATOM 0 HB3 ASP A 15 18.124 -7.258 7.624 1.00 0.00 H new ATOM 279 N THR A 16 16.396 -6.255 5.893 1.00 0.00 N ATOM 280 CA THR A 16 16.033 -6.396 4.484 1.00 0.00 C ATOM 281 C THR A 16 17.053 -5.714 3.574 1.00 0.00 C ATOM 282 O THR A 16 18.092 -5.240 4.032 1.00 0.00 O ATOM 283 CB THR A 16 14.632 -5.809 4.202 1.00 0.00 C ATOM 284 OG1 THR A 16 14.105 -6.360 2.991 1.00 0.00 O ATOM 285 CG2 THR A 16 14.679 -4.291 4.089 1.00 0.00 C ATOM 0 H THR A 16 17.204 -5.657 6.065 1.00 0.00 H new ATOM 0 HA THR A 16 16.022 -7.465 4.269 1.00 0.00 H new ATOM 0 HB THR A 16 13.986 -6.072 5.039 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.216 -5.984 2.820 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.677 -3.910 3.890 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.050 -3.868 5.023 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.344 -4.007 3.273 1.00 0.00 H new ATOM 293 N HIS A 17 16.743 -5.674 2.280 1.00 0.00 N ATOM 294 CA HIS A 17 17.621 -5.051 1.296 1.00 0.00 C ATOM 295 C HIS A 17 17.012 -3.751 0.779 1.00 0.00 C ATOM 296 O HIS A 17 16.034 -3.254 1.334 1.00 0.00 O ATOM 297 CB HIS A 17 17.880 -6.014 0.138 1.00 0.00 C ATOM 298 CG HIS A 17 18.936 -7.034 0.431 1.00 0.00 C ATOM 299 ND1 HIS A 17 18.650 -8.345 0.749 1.00 0.00 N ATOM 300 CD2 HIS A 17 20.287 -6.930 0.450 1.00 0.00 C ATOM 301 CE1 HIS A 17 19.777 -9.003 0.952 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.785 -8.168 0.776 1.00 0.00 N ATOM 0 H HIS A 17 15.887 -6.067 1.889 1.00 0.00 H new ATOM 0 HA HIS A 17 18.570 -4.817 1.778 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.951 -6.527 -0.112 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.174 -5.441 -0.741 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.864 -6.040 0.247 1.00 0.00 H new ATOM 0 HE1 HIS A 17 19.860 -10.047 1.217 1.00 0.00 H new ATOM 0 HE2 HIS A 17 21.773 -8.404 0.867 1.00 0.00 H new ATOM 311 N VAL A 18 17.592 -3.205 -0.287 1.00 0.00 N ATOM 312 CA VAL A 18 17.102 -1.955 -0.861 1.00 0.00 C ATOM 313 C VAL A 18 16.267 -2.194 -2.117 1.00 0.00 C ATOM 314 O VAL A 18 16.605 -3.027 -2.957 1.00 0.00 O ATOM 315 CB VAL A 18 18.264 -0.999 -1.199 1.00 0.00 C ATOM 316 CG1 VAL A 18 19.193 -1.624 -2.229 1.00 0.00 C ATOM 317 CG2 VAL A 18 17.731 0.337 -1.690 1.00 0.00 C ATOM 0 H VAL A 18 18.397 -3.606 -0.768 1.00 0.00 H new ATOM 0 HA VAL A 18 16.468 -1.496 -0.103 1.00 0.00 H new ATOM 0 HB VAL A 18 18.839 -0.822 -0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.006 -0.933 -2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 18 19.605 -2.552 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 18 18.635 -1.836 -3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 18 18.566 0.998 -1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 18 17.130 0.182 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 18 17.115 0.791 -0.913 1.00 0.00 H new ATOM 327 N GLY A 19 15.169 -1.449 -2.223 1.00 0.00 N ATOM 328 CA GLY A 19 14.283 -1.563 -3.368 1.00 0.00 C ATOM 329 C GLY A 19 13.763 -2.968 -3.585 1.00 0.00 C ATOM 330 O GLY A 19 13.289 -3.289 -4.674 1.00 0.00 O ATOM 0 H GLY A 19 14.876 -0.762 -1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.438 -0.887 -3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.813 -1.237 -4.263 1.00 0.00 H new ATOM 334 N LYS A 20 13.861 -3.809 -2.562 1.00 0.00 N ATOM 335 CA LYS A 20 13.373 -5.175 -2.660 1.00 0.00 C ATOM 336 C LYS A 20 11.859 -5.166 -2.810 1.00 0.00 C ATOM 337 O LYS A 20 11.124 -5.360 -1.843 1.00 0.00 O ATOM 338 CB LYS A 20 13.784 -5.981 -1.428 1.00 0.00 C ATOM 339 CG LYS A 20 14.240 -7.388 -1.751 1.00 0.00 C ATOM 340 CD LYS A 20 15.660 -7.369 -2.264 1.00 0.00 C ATOM 341 CE LYS A 20 16.312 -8.739 -2.173 1.00 0.00 C ATOM 342 NZ LYS A 20 15.575 -9.760 -2.969 1.00 0.00 N ATOM 0 H LYS A 20 14.272 -3.569 -1.660 1.00 0.00 H new ATOM 0 HA LYS A 20 13.815 -5.648 -3.537 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.588 -5.456 -0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.942 -6.030 -0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.175 -8.013 -0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.581 -7.829 -2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.667 -7.031 -3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.244 -6.650 -1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 20 17.341 -8.676 -2.528 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.353 -9.053 -1.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.122 -10.644 -2.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.648 -9.938 -2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.439 -9.412 -3.940 1.00 0.00 H new ATOM 356 N THR A 21 11.409 -4.917 -4.035 1.00 0.00 N ATOM 357 CA THR A 21 9.987 -4.851 -4.343 1.00 0.00 C ATOM 358 C THR A 21 9.219 -5.991 -3.692 1.00 0.00 C ATOM 359 O THR A 21 9.236 -7.125 -4.175 1.00 0.00 O ATOM 360 CB THR A 21 9.739 -4.887 -5.859 1.00 0.00 C ATOM 361 OG1 THR A 21 10.674 -4.035 -6.532 1.00 0.00 O ATOM 362 CG2 THR A 21 8.321 -4.442 -6.180 1.00 0.00 C ATOM 0 H THR A 21 12.017 -4.756 -4.838 1.00 0.00 H new ATOM 0 HA THR A 21 9.628 -3.904 -3.941 1.00 0.00 H new ATOM 0 HB THR A 21 9.873 -5.913 -6.203 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.509 -4.066 -7.497 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.165 -4.474 -7.258 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.611 -5.108 -5.690 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.169 -3.424 -5.822 1.00 0.00 H new ATOM 370 N THR A 22 8.548 -5.683 -2.588 1.00 0.00 N ATOM 371 CA THR A 22 7.768 -6.678 -1.872 1.00 0.00 C ATOM 372 C THR A 22 6.295 -6.569 -2.232 1.00 0.00 C ATOM 373 O THR A 22 5.593 -5.670 -1.765 1.00 0.00 O ATOM 374 CB THR A 22 7.932 -6.539 -0.346 1.00 0.00 C ATOM 375 OG1 THR A 22 9.316 -6.640 0.009 1.00 0.00 O ATOM 376 CG2 THR A 22 7.138 -7.612 0.386 1.00 0.00 C ATOM 0 H THR A 22 8.530 -4.752 -2.172 1.00 0.00 H new ATOM 0 HA THR A 22 8.144 -7.656 -2.173 1.00 0.00 H new ATOM 0 HB THR A 22 7.550 -5.562 -0.051 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.853 -6.105 -0.612 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.270 -7.492 1.461 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.081 -7.516 0.137 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.493 -8.597 0.084 1.00 0.00 H new ATOM 384 N GLU A 23 5.846 -7.482 -3.083 1.00 0.00 N ATOM 385 CA GLU A 23 4.470 -7.521 -3.519 1.00 0.00 C ATOM 386 C GLU A 23 3.596 -8.187 -2.470 1.00 0.00 C ATOM 387 O GLU A 23 3.883 -9.295 -2.019 1.00 0.00 O ATOM 388 CB GLU A 23 4.380 -8.284 -4.834 1.00 0.00 C ATOM 389 CG GLU A 23 2.981 -8.326 -5.407 1.00 0.00 C ATOM 390 CD GLU A 23 2.949 -8.852 -6.828 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.091 -10.080 -7.011 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.785 -8.036 -7.759 1.00 0.00 O ATOM 0 H GLU A 23 6.431 -8.213 -3.486 1.00 0.00 H new ATOM 0 HA GLU A 23 4.114 -6.501 -3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.049 -7.822 -5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.732 -9.304 -4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.353 -8.955 -4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.553 -7.324 -5.385 1.00 0.00 H new ATOM 399 N ILE A 24 2.529 -7.504 -2.087 1.00 0.00 N ATOM 400 CA ILE A 24 1.620 -8.028 -1.086 1.00 0.00 C ATOM 401 C ILE A 24 0.171 -7.941 -1.535 1.00 0.00 C ATOM 402 O ILE A 24 -0.419 -6.860 -1.558 1.00 0.00 O ATOM 403 CB ILE A 24 1.765 -7.272 0.240 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.223 -7.286 0.703 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.850 -7.879 1.295 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.458 -6.557 2.009 1.00 0.00 C ATOM 0 H ILE A 24 2.273 -6.588 -2.455 1.00 0.00 H new ATOM 0 HA ILE A 24 1.887 -9.076 -0.947 1.00 0.00 H new ATOM 0 HB ILE A 24 1.468 -6.234 0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.550 -8.320 0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.844 -6.835 -0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.962 -7.333 2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.185 -7.815 0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.117 -8.924 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.515 -6.611 2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.164 -5.513 1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.865 -7.021 2.797 1.00 0.00 H new ATOM 418 N HIS A 25 -0.387 -9.083 -1.907 1.00 0.00 N ATOM 419 CA HIS A 25 -1.776 -9.155 -2.318 1.00 0.00 C ATOM 420 C HIS A 25 -2.652 -9.363 -1.092 1.00 0.00 C ATOM 421 O HIS A 25 -2.827 -10.489 -0.626 1.00 0.00 O ATOM 422 CB HIS A 25 -1.991 -10.301 -3.300 1.00 0.00 C ATOM 423 CG HIS A 25 -0.884 -10.467 -4.292 1.00 0.00 C ATOM 424 ND1 HIS A 25 -0.066 -11.577 -4.331 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.467 -9.661 -5.297 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.805 -11.445 -5.314 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.582 -10.292 -5.916 1.00 0.00 N ATOM 0 H HIS A 25 0.106 -9.976 -1.932 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.044 -8.222 -2.813 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.106 -11.229 -2.740 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.925 -10.135 -3.837 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.125 -12.375 -3.699 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.883 -8.700 -5.562 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.570 -12.159 -5.580 1.00 0.00 H new ATOM 436 N LEU A 26 -3.193 -8.274 -0.571 1.00 0.00 N ATOM 437 CA LEU A 26 -4.034 -8.337 0.614 1.00 0.00 C ATOM 438 C LEU A 26 -5.489 -8.508 0.219 1.00 0.00 C ATOM 439 O LEU A 26 -5.931 -7.975 -0.795 1.00 0.00 O ATOM 440 CB LEU A 26 -3.874 -7.068 1.450 1.00 0.00 C ATOM 441 CG LEU A 26 -2.448 -6.761 1.913 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.323 -5.297 2.307 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.056 -7.657 3.080 1.00 0.00 C ATOM 0 H LEU A 26 -3.065 -7.336 -0.950 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.723 -9.195 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.239 -6.222 0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.513 -7.150 2.329 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.769 -6.960 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.303 -5.094 2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.561 -4.668 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.015 -5.079 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.039 -7.422 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.740 -7.490 3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.108 -8.701 2.771 1.00 0.00 H new ATOM 455 N LYS A 27 -6.233 -9.243 1.026 1.00 0.00 N ATOM 456 CA LYS A 27 -7.640 -9.477 0.744 1.00 0.00 C ATOM 457 C LYS A 27 -8.515 -8.563 1.585 1.00 0.00 C ATOM 458 O LYS A 27 -8.064 -7.996 2.581 1.00 0.00 O ATOM 459 CB LYS A 27 -8.005 -10.938 0.999 1.00 0.00 C ATOM 460 CG LYS A 27 -6.978 -11.920 0.456 1.00 0.00 C ATOM 461 CD LYS A 27 -7.459 -13.359 0.569 1.00 0.00 C ATOM 462 CE LYS A 27 -8.662 -13.622 -0.325 1.00 0.00 C ATOM 463 NZ LYS A 27 -8.353 -13.371 -1.760 1.00 0.00 N ATOM 0 H LYS A 27 -5.890 -9.687 1.878 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.816 -9.254 -0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.116 -11.095 2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.973 -11.148 0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.769 -11.687 -0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.041 -11.806 1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.649 -14.036 0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.721 -13.575 1.605 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.989 -14.654 -0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.491 -12.985 -0.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.094 -13.795 -2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.315 -12.346 -1.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.434 -13.797 -1.997 1.00 0.00 H new ATOM 477 N GLY A 28 -9.769 -8.428 1.180 1.00 0.00 N ATOM 478 CA GLY A 28 -10.689 -7.570 1.896 1.00 0.00 C ATOM 479 C GLY A 28 -12.054 -7.513 1.240 1.00 0.00 C ATOM 480 O GLY A 28 -12.570 -8.531 0.779 1.00 0.00 O ATOM 0 H GLY A 28 -10.166 -8.898 0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.795 -7.929 2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.274 -6.564 1.953 1.00 0.00 H new ATOM 484 N ASN A 29 -12.635 -6.318 1.195 1.00 0.00 N ATOM 485 CA ASN A 29 -13.947 -6.123 0.588 1.00 0.00 C ATOM 486 C ASN A 29 -14.309 -4.638 0.566 1.00 0.00 C ATOM 487 O ASN A 29 -14.874 -4.119 1.527 1.00 0.00 O ATOM 488 CB ASN A 29 -15.010 -6.911 1.357 1.00 0.00 C ATOM 489 CG ASN A 29 -16.284 -7.100 0.557 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.439 -8.089 -0.158 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.202 -6.149 0.672 1.00 0.00 N ATOM 0 H ASN A 29 -12.216 -5.468 1.573 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.911 -6.489 -0.438 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.608 -7.887 1.630 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.242 -6.391 2.286 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.079 -6.221 0.156 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.031 -5.346 1.277 1.00 0.00 H new ATOM 547 N TYR A 34 -14.159 0.228 4.674 1.00 0.00 N ATOM 548 CA TYR A 34 -12.757 0.500 4.971 1.00 0.00 C ATOM 549 C TYR A 34 -11.875 0.240 3.752 1.00 0.00 C ATOM 550 O TYR A 34 -12.362 -0.129 2.683 1.00 0.00 O ATOM 551 CB TYR A 34 -12.280 -0.347 6.152 1.00 0.00 C ATOM 552 CG TYR A 34 -12.943 -0.001 7.466 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.183 -0.534 7.800 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.332 0.855 8.378 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.793 -0.226 9.000 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.938 1.167 9.581 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.168 0.624 9.887 1.00 0.00 C ATOM 558 OH TYR A 34 -14.774 0.933 11.083 1.00 0.00 O ATOM 0 HA TYR A 34 -12.674 1.554 5.237 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.464 -1.398 5.930 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.202 -0.228 6.259 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.678 -1.200 7.109 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.369 1.282 8.142 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.756 -0.650 9.243 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.450 1.833 10.278 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.201 1.543 11.592 1.00 0.00 H new ATOM 568 N MET A 35 -10.573 0.439 3.928 1.00 0.00 N ATOM 569 CA MET A 35 -9.607 0.251 2.870 1.00 0.00 C ATOM 570 C MET A 35 -8.258 -0.134 3.452 1.00 0.00 C ATOM 571 O MET A 35 -7.912 0.270 4.560 1.00 0.00 O ATOM 572 CB MET A 35 -9.456 1.547 2.078 1.00 0.00 C ATOM 573 CG MET A 35 -8.076 1.726 1.478 1.00 0.00 C ATOM 574 SD MET A 35 -7.863 3.319 0.656 1.00 0.00 S ATOM 575 CE MET A 35 -9.164 3.256 -0.575 1.00 0.00 C ATOM 0 H MET A 35 -10.164 0.736 4.814 1.00 0.00 H new ATOM 0 HA MET A 35 -9.957 -0.546 2.215 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.197 1.565 1.279 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.672 2.392 2.732 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.328 1.627 2.265 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.892 0.926 0.761 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.673 4.219 -0.616 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.732 3.033 -1.550 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.880 2.478 -0.309 1.00 0.00 H new ATOM 585 N TRP A 36 -7.496 -0.899 2.694 1.00 0.00 N ATOM 586 CA TRP A 36 -6.170 -1.311 3.124 1.00 0.00 C ATOM 587 C TRP A 36 -5.117 -0.483 2.402 1.00 0.00 C ATOM 588 O TRP A 36 -4.561 -0.910 1.389 1.00 0.00 O ATOM 589 CB TRP A 36 -5.945 -2.791 2.847 1.00 0.00 C ATOM 590 CG TRP A 36 -6.063 -3.660 4.060 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.009 -4.617 4.296 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.204 -3.655 5.206 1.00 0.00 C ATOM 593 NE1 TRP A 36 -6.789 -5.205 5.518 1.00 0.00 N ATOM 594 CE2 TRP A 36 -5.689 -4.632 6.095 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.074 -2.919 5.566 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.081 -4.892 7.318 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.471 -3.178 6.782 1.00 0.00 C ATOM 598 CH2 TRP A 36 -3.977 -4.158 7.644 1.00 0.00 C ATOM 0 H TRP A 36 -7.771 -1.249 1.776 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.088 -1.148 4.199 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.667 -3.125 2.101 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.954 -2.923 2.413 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.812 -4.874 3.621 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.354 -5.948 5.928 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.678 -2.161 4.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.468 -5.647 7.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.596 -2.616 7.072 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.483 -4.337 8.588 1.00 0.00 H new ATOM 609 N THR A 37 -4.855 0.706 2.925 1.00 0.00 N ATOM 610 CA THR A 37 -3.881 1.606 2.320 1.00 0.00 C ATOM 611 C THR A 37 -2.816 2.015 3.342 1.00 0.00 C ATOM 612 O THR A 37 -2.808 1.508 4.463 1.00 0.00 O ATOM 613 CB THR A 37 -4.579 2.858 1.752 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.622 3.718 1.125 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.306 3.615 2.852 1.00 0.00 C ATOM 0 H THR A 37 -5.302 1.071 3.766 1.00 0.00 H new ATOM 0 HA THR A 37 -3.393 1.077 1.501 1.00 0.00 H new ATOM 0 HB THR A 37 -5.309 2.533 1.010 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.078 4.508 0.767 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.791 4.495 2.429 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.058 2.968 3.303 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.591 3.926 3.613 1.00 0.00 H new ATOM 623 N ARG A 38 -1.916 2.924 2.962 1.00 0.00 N ATOM 624 CA ARG A 38 -0.859 3.366 3.868 1.00 0.00 C ATOM 625 C ARG A 38 -1.363 4.461 4.808 1.00 0.00 C ATOM 626 O ARG A 38 -2.258 5.231 4.458 1.00 0.00 O ATOM 627 CB ARG A 38 0.359 3.856 3.079 1.00 0.00 C ATOM 628 CG ARG A 38 1.413 2.801 2.860 1.00 0.00 C ATOM 629 CD ARG A 38 2.469 3.276 1.880 1.00 0.00 C ATOM 630 NE ARG A 38 2.876 4.660 2.101 1.00 0.00 N ATOM 631 CZ ARG A 38 4.069 5.003 2.582 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.930 4.067 2.958 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.403 6.281 2.690 1.00 0.00 N ATOM 0 H ARG A 38 -1.899 3.364 2.042 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.558 2.511 4.474 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.026 4.228 2.110 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.807 4.698 3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.883 2.549 3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.947 1.890 2.484 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.344 2.630 1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.086 3.174 0.865 1.00 0.00 H new ATOM 0 HE ARG A 38 2.213 5.402 1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.679 3.082 2.879 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.843 4.333 3.326 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.745 7.006 2.404 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.318 6.540 3.059 1.00 0.00 H new ATOM 647 N VAL A 39 -0.777 4.522 6.003 1.00 0.00 N ATOM 648 CA VAL A 39 -1.167 5.509 7.007 1.00 0.00 C ATOM 649 C VAL A 39 -0.871 6.934 6.547 1.00 0.00 C ATOM 650 O VAL A 39 0.251 7.250 6.155 1.00 0.00 O ATOM 651 CB VAL A 39 -0.440 5.262 8.345 1.00 0.00 C ATOM 652 CG1 VAL A 39 -0.937 6.227 9.411 1.00 0.00 C ATOM 653 CG2 VAL A 39 -0.615 3.821 8.799 1.00 0.00 C ATOM 0 H VAL A 39 -0.028 3.897 6.299 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.242 5.396 7.147 1.00 0.00 H new ATOM 0 HB VAL A 39 0.624 5.440 8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.412 6.037 10.347 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.748 7.252 9.091 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.007 6.085 9.560 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.094 3.672 9.744 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.676 3.608 8.932 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.201 3.150 8.046 1.00 0.00 H new ATOM 663 N GLY A 40 -1.885 7.793 6.613 1.00 0.00 N ATOM 664 CA GLY A 40 -1.717 9.180 6.214 1.00 0.00 C ATOM 665 C GLY A 40 -1.823 9.384 4.715 1.00 0.00 C ATOM 666 O GLY A 40 -1.380 10.405 4.190 1.00 0.00 O ATOM 0 H GLY A 40 -2.822 7.552 6.936 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.471 9.789 6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.745 9.535 6.555 1.00 0.00 H new ATOM 670 N PHE A 41 -2.411 8.412 4.025 1.00 0.00 N ATOM 671 CA PHE A 41 -2.570 8.492 2.578 1.00 0.00 C ATOM 672 C PHE A 41 -3.947 8.006 2.163 1.00 0.00 C ATOM 673 O PHE A 41 -4.278 7.969 0.979 1.00 0.00 O ATOM 674 CB PHE A 41 -1.487 7.668 1.892 1.00 0.00 C ATOM 675 CG PHE A 41 -0.112 8.059 2.334 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.450 9.253 1.919 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.608 7.241 3.180 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.711 9.624 2.342 1.00 0.00 C ATOM 679 CE2 PHE A 41 1.871 7.602 3.606 1.00 0.00 C ATOM 680 CZ PHE A 41 2.424 8.797 3.188 1.00 0.00 C ATOM 0 H PHE A 41 -2.785 7.561 4.444 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.471 9.533 2.272 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.648 6.611 2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.568 7.792 0.812 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.104 9.902 1.257 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.179 6.308 3.513 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.139 10.559 2.012 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.426 6.951 4.265 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.410 9.084 3.522 1.00 0.00 H new ATOM 690 N VAL A 42 -4.739 7.626 3.156 1.00 0.00 N ATOM 691 CA VAL A 42 -6.095 7.149 2.921 1.00 0.00 C ATOM 692 C VAL A 42 -6.849 8.072 1.965 1.00 0.00 C ATOM 693 O VAL A 42 -6.940 9.279 2.192 1.00 0.00 O ATOM 694 CB VAL A 42 -6.879 7.038 4.244 1.00 0.00 C ATOM 695 CG1 VAL A 42 -6.854 8.359 4.998 1.00 0.00 C ATOM 696 CG2 VAL A 42 -8.309 6.593 3.982 1.00 0.00 C ATOM 0 H VAL A 42 -4.464 7.639 4.138 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.013 6.161 2.468 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.396 6.285 4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.413 8.258 5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.822 8.630 5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.308 9.137 4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.846 6.520 4.927 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.804 7.320 3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.303 5.619 3.492 1.00 0.00 H new ATOM 706 N GLY A 43 -7.381 7.495 0.891 1.00 0.00 N ATOM 707 CA GLY A 43 -8.123 8.278 -0.081 1.00 0.00 C ATOM 708 C GLY A 43 -7.239 8.858 -1.169 1.00 0.00 C ATOM 709 O GLY A 43 -7.651 8.954 -2.325 1.00 0.00 O ATOM 0 H GLY A 43 -7.311 6.500 0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.889 7.651 -0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.640 9.089 0.432 1.00 0.00 H new ATOM 763 N LEU A 47 0.726 6.608 -2.142 1.00 0.00 N ATOM 764 CA LEU A 47 1.008 6.449 -0.724 1.00 0.00 C ATOM 765 C LEU A 47 2.483 6.714 -0.445 1.00 0.00 C ATOM 766 O LEU A 47 2.834 7.465 0.464 1.00 0.00 O ATOM 767 CB LEU A 47 0.631 5.042 -0.273 1.00 0.00 C ATOM 768 CG LEU A 47 -0.617 4.457 -0.943 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.834 3.017 -0.502 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.841 5.305 -0.632 1.00 0.00 C ATOM 0 HA LEU A 47 0.414 7.171 -0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.473 4.378 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.474 5.053 0.806 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.463 4.465 -2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.724 2.618 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.032 2.417 -0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.965 2.984 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.716 4.872 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.000 5.333 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.685 6.318 -1.002 1.00 0.00 H new ATOM 782 N SER A 48 3.335 6.076 -1.238 1.00 0.00 N ATOM 783 CA SER A 48 4.784 6.232 -1.117 1.00 0.00 C ATOM 784 C SER A 48 5.196 7.702 -1.104 1.00 0.00 C ATOM 785 O SER A 48 4.377 8.592 -1.332 1.00 0.00 O ATOM 786 CB SER A 48 5.479 5.526 -2.281 1.00 0.00 C ATOM 787 OG SER A 48 6.886 5.607 -2.156 1.00 0.00 O ATOM 0 H SER A 48 3.046 5.439 -1.980 1.00 0.00 H new ATOM 0 HA SER A 48 5.086 5.785 -0.170 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.173 4.480 -2.312 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.167 5.977 -3.223 1.00 0.00 H new ATOM 0 HG SER A 48 7.150 5.345 -1.249 1.00 0.00 H new ATOM 793 N ASP A 49 6.481 7.943 -0.853 1.00 0.00 N ATOM 794 CA ASP A 49 7.018 9.300 -0.809 1.00 0.00 C ATOM 795 C ASP A 49 8.529 9.304 -1.020 1.00 0.00 C ATOM 796 O ASP A 49 9.009 9.477 -2.140 1.00 0.00 O ATOM 797 CB ASP A 49 6.690 9.970 0.527 1.00 0.00 C ATOM 798 CG ASP A 49 5.252 10.440 0.605 1.00 0.00 C ATOM 799 OD1 ASP A 49 4.979 11.586 0.190 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.400 9.664 1.082 1.00 0.00 O ATOM 0 H ASP A 49 7.171 7.213 -0.677 1.00 0.00 H new ATOM 0 HA ASP A 49 6.550 9.861 -1.618 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.884 9.268 1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.355 10.821 0.676 1.00 0.00 H new ATOM 805 N GLU A 50 9.271 9.111 0.066 1.00 0.00 N ATOM 806 CA GLU A 50 10.724 9.105 0.013 1.00 0.00 C ATOM 807 C GLU A 50 11.304 7.903 0.753 1.00 0.00 C ATOM 808 O GLU A 50 12.336 7.358 0.361 1.00 0.00 O ATOM 809 CB GLU A 50 11.252 10.395 0.634 1.00 0.00 C ATOM 810 CG GLU A 50 10.937 10.525 2.117 1.00 0.00 C ATOM 811 CD GLU A 50 11.482 11.805 2.719 1.00 0.00 C ATOM 812 OE1 GLU A 50 12.637 11.794 3.193 1.00 0.00 O ATOM 813 OE2 GLU A 50 10.753 12.820 2.717 1.00 0.00 O ATOM 0 H GLU A 50 8.885 8.956 0.997 1.00 0.00 H new ATOM 0 HA GLU A 50 11.031 9.035 -1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.332 10.441 0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.825 11.246 0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.857 10.492 2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.355 9.671 2.650 1.00 0.00 H new ATOM 820 N ILE A 51 10.634 7.499 1.825 1.00 0.00 N ATOM 821 CA ILE A 51 11.080 6.373 2.634 1.00 0.00 C ATOM 822 C ILE A 51 10.976 5.061 1.868 1.00 0.00 C ATOM 823 O ILE A 51 11.973 4.539 1.373 1.00 0.00 O ATOM 824 CB ILE A 51 10.250 6.264 3.925 1.00 0.00 C ATOM 825 CG1 ILE A 51 10.143 7.631 4.600 1.00 0.00 C ATOM 826 CG2 ILE A 51 10.861 5.237 4.868 1.00 0.00 C ATOM 827 CD1 ILE A 51 11.458 8.159 5.136 1.00 0.00 C ATOM 0 H ILE A 51 9.775 7.938 2.155 1.00 0.00 H new ATOM 0 HA ILE A 51 12.125 6.555 2.885 1.00 0.00 H new ATOM 0 HB ILE A 51 9.245 5.929 3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.740 8.348 3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.429 7.565 5.421 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.261 5.174 5.775 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.884 4.263 4.379 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.877 5.538 5.125 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.297 9.132 5.599 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.854 7.465 5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.170 8.260 4.317 1.00 0.00 H new ATOM 839 N LEU A 52 9.763 4.528 1.788 1.00 0.00 N ATOM 840 CA LEU A 52 9.524 3.277 1.075 1.00 0.00 C ATOM 841 C LEU A 52 8.813 3.531 -0.247 1.00 0.00 C ATOM 842 O LEU A 52 7.717 4.089 -0.257 1.00 0.00 O ATOM 843 CB LEU A 52 8.660 2.325 1.915 1.00 0.00 C ATOM 844 CG LEU A 52 9.296 1.787 3.199 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.280 0.976 3.993 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.521 0.944 2.880 1.00 0.00 C ATOM 0 H LEU A 52 8.930 4.941 2.207 1.00 0.00 H new ATOM 0 HA LEU A 52 10.497 2.823 0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.739 2.844 2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.380 1.477 1.291 1.00 0.00 H new ATOM 0 HG LEU A 52 9.615 2.634 3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.746 0.600 4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.433 1.610 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.933 0.137 3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.958 0.572 3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.230 0.102 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 52 11.255 1.553 2.352 1.00 0.00 H new ATOM 858 N GLU A 53 9.445 3.158 -1.360 1.00 0.00 N ATOM 859 CA GLU A 53 8.819 3.305 -2.668 1.00 0.00 C ATOM 860 C GLU A 53 7.629 2.361 -2.757 1.00 0.00 C ATOM 861 O GLU A 53 7.672 1.345 -3.453 1.00 0.00 O ATOM 862 CB GLU A 53 9.817 2.999 -3.783 1.00 0.00 C ATOM 863 CG GLU A 53 10.269 4.227 -4.540 1.00 0.00 C ATOM 864 CD GLU A 53 9.573 4.380 -5.878 1.00 0.00 C ATOM 865 OE1 GLU A 53 8.500 5.018 -5.919 1.00 0.00 O ATOM 866 OE2 GLU A 53 10.101 3.864 -6.885 1.00 0.00 O ATOM 0 H GLU A 53 10.382 2.755 -1.380 1.00 0.00 H new ATOM 0 HA GLU A 53 8.483 4.335 -2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.689 2.505 -3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.364 2.297 -4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.080 5.113 -3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.346 4.174 -4.699 1.00 0.00 H new ATOM 873 N VAL A 54 6.571 2.704 -2.037 1.00 0.00 N ATOM 874 CA VAL A 54 5.377 1.880 -1.987 1.00 0.00 C ATOM 875 C VAL A 54 4.477 2.087 -3.193 1.00 0.00 C ATOM 876 O VAL A 54 3.554 2.901 -3.159 1.00 0.00 O ATOM 877 CB VAL A 54 4.561 2.154 -0.715 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.512 1.072 -0.520 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.474 2.260 0.494 1.00 0.00 C ATOM 0 H VAL A 54 6.518 3.554 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 54 5.729 0.848 -1.987 1.00 0.00 H new ATOM 0 HB VAL A 54 4.047 3.109 -0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.941 1.278 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.840 1.058 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.002 0.103 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.877 2.454 1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.021 1.325 0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.181 3.076 0.346 1.00 0.00 H new ATOM 889 N VAL A 55 4.755 1.356 -4.259 1.00 0.00 N ATOM 890 CA VAL A 55 3.938 1.429 -5.452 1.00 0.00 C ATOM 891 C VAL A 55 2.740 0.516 -5.280 1.00 0.00 C ATOM 892 O VAL A 55 2.756 -0.648 -5.685 1.00 0.00 O ATOM 893 CB VAL A 55 4.711 1.018 -6.709 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.847 1.219 -7.943 1.00 0.00 C ATOM 895 CG2 VAL A 55 6.010 1.804 -6.819 1.00 0.00 C ATOM 0 H VAL A 55 5.540 0.707 -4.320 1.00 0.00 H new ATOM 0 HA VAL A 55 3.625 2.465 -5.583 1.00 0.00 H new ATOM 0 HB VAL A 55 4.965 -0.040 -6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.406 0.924 -8.831 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.948 0.608 -7.861 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.566 2.269 -8.024 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.545 1.498 -7.718 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.787 2.870 -6.874 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.629 1.608 -5.944 1.00 0.00 H new ATOM 905 N CYS A 56 1.711 1.055 -4.658 1.00 0.00 N ATOM 906 CA CYS A 56 0.498 0.301 -4.379 1.00 0.00 C ATOM 907 C CYS A 56 -0.614 0.641 -5.358 1.00 0.00 C ATOM 908 O CYS A 56 -0.701 1.761 -5.863 1.00 0.00 O ATOM 909 CB CYS A 56 0.027 0.573 -2.950 1.00 0.00 C ATOM 910 SG CYS A 56 -1.576 -0.161 -2.548 1.00 0.00 S ATOM 0 H CYS A 56 1.688 2.021 -4.332 1.00 0.00 H new ATOM 0 HA CYS A 56 0.735 -0.757 -4.493 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.774 0.191 -2.254 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.030 1.651 -2.797 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.677 -1.323 -3.121 1.00 0.00 H new ATOM 916 N LYS A 57 -1.461 -0.345 -5.617 1.00 0.00 N ATOM 917 CA LYS A 57 -2.586 -0.178 -6.517 1.00 0.00 C ATOM 918 C LYS A 57 -3.808 -0.886 -5.954 1.00 0.00 C ATOM 919 O LYS A 57 -3.839 -2.115 -5.847 1.00 0.00 O ATOM 920 CB LYS A 57 -2.260 -0.736 -7.900 1.00 0.00 C ATOM 921 CG LYS A 57 -0.879 -0.354 -8.407 1.00 0.00 C ATOM 922 CD LYS A 57 -0.612 -0.927 -9.789 1.00 0.00 C ATOM 923 CE LYS A 57 0.772 -0.548 -10.291 1.00 0.00 C ATOM 924 NZ LYS A 57 1.048 -1.116 -11.640 1.00 0.00 N ATOM 0 H LYS A 57 -1.386 -1.277 -5.210 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.795 0.888 -6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.338 -1.823 -7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.008 -0.382 -8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.790 0.732 -8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.122 -0.715 -7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.704 -2.013 -9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.366 -0.563 -10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.860 0.538 -10.329 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.524 -0.904 -9.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.001 -0.835 -11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.990 -2.154 -11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.346 -0.757 -12.318 1.00 0.00 H new ATOM 938 N TYR A 58 -4.804 -0.102 -5.582 1.00 0.00 N ATOM 939 CA TYR A 58 -6.035 -0.643 -5.031 1.00 0.00 C ATOM 940 C TYR A 58 -6.906 -1.182 -6.163 1.00 0.00 C ATOM 941 O TYR A 58 -7.477 -0.414 -6.938 1.00 0.00 O ATOM 942 CB TYR A 58 -6.779 0.440 -4.237 1.00 0.00 C ATOM 943 CG TYR A 58 -7.887 -0.087 -3.351 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.862 -0.945 -3.854 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.967 0.285 -2.011 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.879 -1.421 -3.053 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.989 -0.186 -1.208 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.939 -1.038 -1.732 1.00 0.00 C ATOM 949 OH TYR A 58 -10.954 -1.504 -0.928 1.00 0.00 O ATOM 0 H TYR A 58 -4.785 0.915 -5.652 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.800 -1.461 -4.350 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.061 0.979 -3.619 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.201 1.161 -4.937 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.821 -1.243 -4.891 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.223 0.948 -1.595 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.623 -2.090 -3.459 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.044 0.113 -0.172 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.849 -1.139 -0.024 1.00 0.00 H new ATOM 959 N THR A 59 -7.000 -2.505 -6.254 1.00 0.00 N ATOM 960 CA THR A 59 -7.785 -3.145 -7.304 1.00 0.00 C ATOM 961 C THR A 59 -9.122 -3.659 -6.782 1.00 0.00 C ATOM 962 O THR A 59 -9.174 -4.654 -6.060 1.00 0.00 O ATOM 963 CB THR A 59 -7.018 -4.324 -7.930 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.707 -3.903 -8.325 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.763 -4.872 -9.139 1.00 0.00 C ATOM 0 H THR A 59 -6.543 -3.154 -5.614 1.00 0.00 H new ATOM 0 HA THR A 59 -7.968 -2.380 -8.059 1.00 0.00 H new ATOM 0 HB THR A 59 -6.936 -5.113 -7.182 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.226 -4.660 -8.720 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.203 -5.704 -9.565 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.750 -5.218 -8.832 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.871 -4.086 -9.887 1.00 0.00 H new ATOM 973 N PRO A 60 -10.223 -2.979 -7.142 1.00 0.00 N ATOM 974 CA PRO A 60 -11.561 -3.353 -6.744 1.00 0.00 C ATOM 975 C PRO A 60 -12.293 -4.078 -7.871 1.00 0.00 C ATOM 976 O PRO A 60 -12.904 -3.445 -8.733 1.00 0.00 O ATOM 977 CB PRO A 60 -12.180 -1.983 -6.481 1.00 0.00 C ATOM 978 CG PRO A 60 -11.511 -1.064 -7.461 1.00 0.00 C ATOM 979 CD PRO A 60 -10.266 -1.760 -7.951 1.00 0.00 C ATOM 0 HA PRO A 60 -11.602 -4.039 -5.898 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.260 -2.002 -6.630 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.006 -1.661 -5.454 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.178 -0.838 -8.293 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.260 -0.115 -6.988 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.324 -1.985 -9.016 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.377 -1.147 -7.803 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.586 -6.689 -4.157 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.480 -6.799 -3.219 1.00 0.00 C ATOM 1137 C ILE A 73 -6.676 -5.509 -3.166 1.00 0.00 C ATOM 1138 O ILE A 73 -7.102 -4.472 -3.674 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.519 -7.950 -3.568 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.969 -7.807 -4.982 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.188 -9.299 -3.381 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.606 -8.446 -5.143 1.00 0.00 C ATOM 0 HA ILE A 73 -7.935 -7.003 -2.250 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.678 -7.893 -2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.665 -8.262 -5.687 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.903 -6.749 -5.237 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.485 -10.092 -3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.500 -9.410 -2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.060 -9.366 -4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.262 -8.315 -6.169 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.900 -7.974 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.674 -9.510 -4.916 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.508 -5.591 -2.543 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.627 -4.446 -2.409 1.00 0.00 C ATOM 1156 C TYR A 74 -3.195 -4.841 -2.769 1.00 0.00 C ATOM 1157 O TYR A 74 -2.493 -5.454 -1.964 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.691 -3.914 -0.975 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.070 -4.021 -0.352 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.496 -5.201 0.250 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -6.948 -2.944 -0.362 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.749 -5.303 0.820 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.204 -3.042 0.208 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.599 -4.223 0.796 1.00 0.00 C ATOM 1165 OH TYR A 74 -9.849 -4.320 1.363 1.00 0.00 O ATOM 0 H TYR A 74 -5.149 -6.447 -2.120 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.950 -3.660 -3.092 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.979 -4.464 -0.360 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.378 -2.870 -0.969 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.833 -6.054 0.272 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.645 -2.015 -0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.060 -6.228 1.283 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.873 -2.195 0.192 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.322 -3.468 1.261 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.772 -4.498 -3.986 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.429 -4.826 -4.454 1.00 0.00 C ATOM 1177 C VAL A 75 -0.434 -3.768 -4.005 1.00 0.00 C ATOM 1178 O VAL A 75 -0.420 -2.655 -4.525 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.377 -4.950 -5.991 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.057 -5.127 -6.470 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -2.247 -6.104 -6.462 1.00 0.00 C ATOM 0 H VAL A 75 -3.342 -3.993 -4.665 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.163 -5.789 -4.018 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.767 -4.028 -6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.070 -5.212 -7.557 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.651 -4.265 -6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.479 -6.031 -6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.198 -6.177 -7.548 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.889 -7.034 -6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.279 -5.930 -6.156 1.00 0.00 H new ATOM 1191 N VAL A 76 0.400 -4.125 -3.043 1.00 0.00 N ATOM 1192 CA VAL A 76 1.387 -3.191 -2.512 1.00 0.00 C ATOM 1193 C VAL A 76 2.823 -3.594 -2.845 1.00 0.00 C ATOM 1194 O VAL A 76 3.277 -4.676 -2.474 1.00 0.00 O ATOM 1195 CB VAL A 76 1.256 -3.066 -0.983 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.206 -2.004 -0.453 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.179 -2.753 -0.590 1.00 0.00 C ATOM 0 H VAL A 76 0.416 -5.050 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 76 1.180 -2.234 -2.990 1.00 0.00 H new ATOM 0 HB VAL A 76 1.528 -4.022 -0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.100 -1.929 0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.232 -2.278 -0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.968 -1.043 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.249 -2.669 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.485 -1.812 -1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.834 -3.553 -0.935 1.00 0.00 H new ATOM 1207 N LEU A 77 3.532 -2.711 -3.551 1.00 0.00 N ATOM 1208 CA LEU A 77 4.930 -2.944 -3.899 1.00 0.00 C ATOM 1209 C LEU A 77 5.813 -2.015 -3.086 1.00 0.00 C ATOM 1210 O LEU A 77 5.969 -0.844 -3.423 1.00 0.00 O ATOM 1211 CB LEU A 77 5.178 -2.711 -5.390 1.00 0.00 C ATOM 1212 CG LEU A 77 4.533 -3.740 -6.322 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.835 -3.408 -7.775 1.00 0.00 C ATOM 1214 CD2 LEU A 77 5.011 -5.143 -5.982 1.00 0.00 C ATOM 0 H LEU A 77 3.157 -1.826 -3.893 1.00 0.00 H new ATOM 0 HA LEU A 77 5.171 -3.983 -3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.807 -1.721 -5.654 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.253 -2.706 -5.568 1.00 0.00 H new ATOM 0 HG LEU A 77 3.453 -3.703 -6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.368 -4.150 -8.422 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.440 -2.420 -8.012 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.913 -3.415 -7.933 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.542 -5.860 -6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.094 -5.195 -6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.740 -5.380 -4.953 1.00 0.00 H new ATOM 1226 N VAL A 78 6.394 -2.537 -2.021 1.00 0.00 N ATOM 1227 CA VAL A 78 7.232 -1.721 -1.155 1.00 0.00 C ATOM 1228 C VAL A 78 8.710 -1.865 -1.502 1.00 0.00 C ATOM 1229 O VAL A 78 9.322 -2.905 -1.256 1.00 0.00 O ATOM 1230 CB VAL A 78 7.010 -2.069 0.328 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.795 -0.803 1.153 1.00 0.00 C ATOM 1232 CG2 VAL A 78 5.828 -3.014 0.478 1.00 0.00 C ATOM 0 H VAL A 78 6.304 -3.512 -1.735 1.00 0.00 H new ATOM 0 HA VAL A 78 6.939 -0.684 -1.321 1.00 0.00 H new ATOM 0 HB VAL A 78 7.903 -2.570 0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.640 -1.072 2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.672 -0.161 1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.919 -0.271 0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.683 -3.251 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.929 -2.537 0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.023 -3.932 -0.077 1.00 0.00 H new ATOM 1242 N LYS A 79 9.267 -0.808 -2.085 1.00 0.00 N ATOM 1243 CA LYS A 79 10.671 -0.785 -2.474 1.00 0.00 C ATOM 1244 C LYS A 79 11.458 0.176 -1.583 1.00 0.00 C ATOM 1245 O LYS A 79 11.452 1.383 -1.813 1.00 0.00 O ATOM 1246 CB LYS A 79 10.803 -0.358 -3.939 1.00 0.00 C ATOM 1247 CG LYS A 79 10.557 -1.484 -4.930 1.00 0.00 C ATOM 1248 CD LYS A 79 10.692 -1.000 -6.365 1.00 0.00 C ATOM 1249 CE LYS A 79 9.550 -0.074 -6.753 1.00 0.00 C ATOM 1250 NZ LYS A 79 8.230 -0.755 -6.668 1.00 0.00 N ATOM 0 H LYS A 79 8.761 0.051 -2.300 1.00 0.00 H new ATOM 0 HA LYS A 79 11.079 -1.789 -2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.098 0.449 -4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.803 0.045 -4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.266 -2.292 -4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.559 -1.895 -4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.641 -0.478 -6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.711 -1.857 -7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.551 0.798 -6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.706 0.289 -7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.556 -0.288 -7.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.335 -1.752 -6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.874 -0.702 -5.692 1.00 0.00 H new ATOM 1264 N PRO A 80 12.150 -0.343 -0.553 1.00 0.00 N ATOM 1265 CA PRO A 80 12.923 0.489 0.370 1.00 0.00 C ATOM 1266 C PRO A 80 13.846 1.468 -0.349 1.00 0.00 C ATOM 1267 O PRO A 80 14.845 1.072 -0.947 1.00 0.00 O ATOM 1268 CB PRO A 80 13.739 -0.517 1.193 1.00 0.00 C ATOM 1269 CG PRO A 80 13.535 -1.849 0.550 1.00 0.00 C ATOM 1270 CD PRO A 80 12.240 -1.767 -0.209 1.00 0.00 C ATOM 0 HA PRO A 80 12.269 1.115 0.978 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.795 -0.247 1.201 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.406 -0.531 2.231 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.362 -2.087 -0.119 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.495 -2.639 1.300 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.253 -2.397 -1.098 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.395 -2.090 0.399 1.00 0.00 H new ATOM 1278 N ARG A 81 13.497 2.750 -0.285 1.00 0.00 N ATOM 1279 CA ARG A 81 14.290 3.794 -0.924 1.00 0.00 C ATOM 1280 C ARG A 81 15.486 4.181 -0.060 1.00 0.00 C ATOM 1281 O ARG A 81 16.567 4.473 -0.573 1.00 0.00 O ATOM 1282 CB ARG A 81 13.433 5.031 -1.184 1.00 0.00 C ATOM 1283 CG ARG A 81 13.065 5.217 -2.644 1.00 0.00 C ATOM 1284 CD ARG A 81 12.161 6.420 -2.831 1.00 0.00 C ATOM 1285 NE ARG A 81 11.937 6.725 -4.242 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.436 7.876 -4.678 1.00 0.00 C ATOM 1287 NH1 ARG A 81 11.109 8.831 -3.816 1.00 0.00 N ATOM 1288 NH2 ARG A 81 11.260 8.076 -5.977 1.00 0.00 N ATOM 0 H ARG A 81 12.669 3.090 0.204 1.00 0.00 H new ATOM 0 HA ARG A 81 14.655 3.399 -1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.520 4.961 -0.593 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.970 5.914 -0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.971 5.343 -3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.565 4.322 -3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.204 6.233 -2.345 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.604 7.286 -2.339 1.00 0.00 H new ATOM 0 HE ARG A 81 12.179 6.014 -4.932 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.242 8.683 -2.816 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.725 9.713 -4.154 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.509 7.346 -6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.875 8.960 -6.309 1.00 0.00 H new ATOM 1302 N LYS A 82 15.283 4.181 1.254 1.00 0.00 N ATOM 1303 CA LYS A 82 16.338 4.544 2.193 1.00 0.00 C ATOM 1304 C LYS A 82 16.840 3.324 2.955 1.00 0.00 C ATOM 1305 O LYS A 82 16.287 2.231 2.835 1.00 0.00 O ATOM 1306 CB LYS A 82 15.826 5.598 3.177 1.00 0.00 C ATOM 1307 CG LYS A 82 15.330 6.868 2.506 1.00 0.00 C ATOM 1308 CD LYS A 82 14.876 7.897 3.530 1.00 0.00 C ATOM 1309 CE LYS A 82 14.350 9.156 2.859 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.388 9.814 2.019 1.00 0.00 N ATOM 0 H LYS A 82 14.396 3.933 1.693 1.00 0.00 H new ATOM 0 HA LYS A 82 17.170 4.956 1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.016 5.169 3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.626 5.853 3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.125 7.291 1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.503 6.629 1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.097 7.466 4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.709 8.153 4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.489 8.904 2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.003 9.855 3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.063 10.763 1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.273 9.894 2.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.555 9.245 1.164 1.00 0.00 H new ATOM 1324 N ARG A 83 17.893 3.523 3.742 1.00 0.00 N ATOM 1325 CA ARG A 83 18.476 2.444 4.530 1.00 0.00 C ATOM 1326 C ARG A 83 18.226 2.661 6.019 1.00 0.00 C ATOM 1327 O ARG A 83 18.156 3.798 6.488 1.00 0.00 O ATOM 1328 CB ARG A 83 19.979 2.357 4.265 1.00 0.00 C ATOM 1329 CG ARG A 83 20.330 2.242 2.791 1.00 0.00 C ATOM 1330 CD ARG A 83 21.821 2.419 2.559 1.00 0.00 C ATOM 1331 NE ARG A 83 22.611 1.432 3.291 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.935 1.342 3.214 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.617 2.176 2.439 1.00 0.00 N ATOM 1334 NH2 ARG A 83 24.580 0.417 3.911 1.00 0.00 N ATOM 0 H ARG A 83 18.360 4.423 3.851 1.00 0.00 H new ATOM 0 HA ARG A 83 18.001 1.509 4.233 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.464 3.241 4.678 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.384 1.495 4.795 1.00 0.00 H new ATOM 0 HG2 ARG A 83 20.015 1.268 2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.781 2.994 2.225 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.034 2.336 1.493 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.119 3.421 2.866 1.00 0.00 H new ATOM 0 HE ARG A 83 22.119 0.774 3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.125 2.889 1.900 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.633 2.104 2.382 1.00 0.00 H new ATOM 0 HH21 ARG A 83 24.060 -0.227 4.507 1.00 0.00 H new ATOM 0 HH22 ARG A 83 25.596 0.349 3.851 1.00 0.00 H new ATOM 1348 N GLY A 84 18.089 1.563 6.758 1.00 0.00 N ATOM 1349 CA GLY A 84 17.850 1.654 8.186 1.00 0.00 C ATOM 1350 C GLY A 84 16.544 1.002 8.597 1.00 0.00 C ATOM 1351 O GLY A 84 15.961 0.234 7.833 1.00 0.00 O ATOM 0 H GLY A 84 18.139 0.612 6.392 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.673 1.180 8.720 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.839 2.703 8.484 1.00 0.00 H new ATOM 1355 N HIS A 85 16.087 1.305 9.807 1.00 0.00 N ATOM 1356 CA HIS A 85 14.841 0.742 10.315 1.00 0.00 C ATOM 1357 C HIS A 85 13.643 1.332 9.579 1.00 0.00 C ATOM 1358 O HIS A 85 13.229 2.459 9.854 1.00 0.00 O ATOM 1359 CB HIS A 85 14.711 1.003 11.816 1.00 0.00 C ATOM 1360 CG HIS A 85 15.836 0.435 12.625 1.00 0.00 C ATOM 1361 ND1 HIS A 85 16.909 1.188 13.056 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.053 -0.821 13.083 1.00 0.00 C ATOM 1363 CE1 HIS A 85 17.734 0.419 13.744 1.00 0.00 C ATOM 1364 NE2 HIS A 85 17.238 -0.803 13.776 1.00 0.00 N ATOM 0 H HIS A 85 16.560 1.936 10.454 1.00 0.00 H new ATOM 0 HA HIS A 85 14.860 -0.334 10.143 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.660 2.078 11.986 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.771 0.579 12.169 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.413 -1.677 12.931 1.00 0.00 H new ATOM 0 HE1 HIS A 85 18.659 0.737 14.203 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.665 -1.604 14.240 1.00 0.00 H new ATOM 1373 N HIS A 86 13.091 0.567 8.642 1.00 0.00 N ATOM 1374 CA HIS A 86 11.942 1.023 7.871 1.00 0.00 C ATOM 1375 C HIS A 86 10.811 -0.001 7.902 1.00 0.00 C ATOM 1376 O HIS A 86 11.039 -1.212 8.002 1.00 0.00 O ATOM 1377 CB HIS A 86 12.347 1.322 6.428 1.00 0.00 C ATOM 1378 CG HIS A 86 13.356 2.423 6.311 1.00 0.00 C ATOM 1379 ND1 HIS A 86 13.031 3.756 6.438 1.00 0.00 N ATOM 1380 CD2 HIS A 86 14.691 2.383 6.082 1.00 0.00 C ATOM 1381 CE1 HIS A 86 14.121 4.489 6.291 1.00 0.00 C ATOM 1382 NE2 HIS A 86 15.141 3.680 6.075 1.00 0.00 N ATOM 0 H HIS A 86 13.420 -0.368 8.400 1.00 0.00 H new ATOM 0 HA HIS A 86 11.578 1.942 8.331 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.754 0.417 5.977 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.458 1.591 5.857 1.00 0.00 H new ATOM 0 HD2 HIS A 86 15.289 1.496 5.933 1.00 0.00 H new ATOM 0 HE1 HIS A 86 14.169 5.567 6.339 1.00 0.00 H new ATOM 0 HE2 HIS A 86 16.107 3.971 5.927 1.00 0.00 H new ATOM 1391 N THR A 87 9.587 0.492 7.807 1.00 0.00 N ATOM 1392 CA THR A 87 8.424 -0.373 7.841 1.00 0.00 C ATOM 1393 C THR A 87 7.266 0.218 7.048 1.00 0.00 C ATOM 1394 O THR A 87 7.096 1.435 6.989 1.00 0.00 O ATOM 1395 CB THR A 87 7.974 -0.616 9.290 1.00 0.00 C ATOM 1396 OG1 THR A 87 8.964 -1.379 9.989 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.645 -1.341 9.332 1.00 0.00 C ATOM 0 H THR A 87 9.375 1.485 7.706 1.00 0.00 H new ATOM 0 HA THR A 87 8.712 -1.320 7.384 1.00 0.00 H new ATOM 0 HB THR A 87 7.853 0.353 9.775 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.527 -1.949 10.656 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.350 -1.500 10.369 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.887 -0.742 8.827 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.740 -2.304 8.830 1.00 0.00 H new ATOM 1405 N LEU A 88 6.472 -0.655 6.437 1.00 0.00 N ATOM 1406 CA LEU A 88 5.322 -0.216 5.652 1.00 0.00 C ATOM 1407 C LEU A 88 4.070 -0.149 6.517 1.00 0.00 C ATOM 1408 O LEU A 88 3.504 -1.177 6.887 1.00 0.00 O ATOM 1409 CB LEU A 88 5.082 -1.156 4.472 1.00 0.00 C ATOM 1410 CG LEU A 88 3.750 -0.952 3.744 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.785 0.325 2.923 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.437 -2.147 2.861 1.00 0.00 C ATOM 0 H LEU A 88 6.602 -1.666 6.469 1.00 0.00 H new ATOM 0 HA LEU A 88 5.541 0.781 5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.894 -1.030 3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.130 -2.184 4.830 1.00 0.00 H new ATOM 0 HG LEU A 88 2.959 -0.861 4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.831 0.455 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.963 1.176 3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.586 0.262 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.487 -1.984 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.229 -2.270 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.370 -3.045 3.475 1.00 0.00 H new ATOM 1424 N GLU A 89 3.647 1.067 6.834 1.00 0.00 N ATOM 1425 CA GLU A 89 2.466 1.278 7.655 1.00 0.00 C ATOM 1426 C GLU A 89 1.179 1.161 6.846 1.00 0.00 C ATOM 1427 O GLU A 89 0.869 2.024 6.025 1.00 0.00 O ATOM 1428 CB GLU A 89 2.539 2.652 8.310 1.00 0.00 C ATOM 1429 CG GLU A 89 3.656 2.763 9.324 1.00 0.00 C ATOM 1430 CD GLU A 89 3.789 4.158 9.902 1.00 0.00 C ATOM 1431 OE1 GLU A 89 4.540 4.972 9.323 1.00 0.00 O ATOM 1432 OE2 GLU A 89 3.144 4.436 10.935 1.00 0.00 O ATOM 0 H GLU A 89 4.108 1.926 6.533 1.00 0.00 H new ATOM 0 HA GLU A 89 2.447 0.499 8.417 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.679 3.409 7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.589 2.867 8.799 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.477 2.055 10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.597 2.478 8.853 1.00 0.00 H new ATOM 1439 N LEU A 90 0.438 0.084 7.085 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.831 -0.142 6.402 1.00 0.00 C ATOM 1441 C LEU A 90 -1.969 -0.204 7.418 1.00 0.00 C ATOM 1442 O LEU A 90 -1.797 -0.731 8.518 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.785 -1.433 5.580 1.00 0.00 C ATOM 1444 CG LEU A 90 0.119 -1.391 4.344 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.039 -2.707 3.585 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.262 -0.230 3.437 1.00 0.00 C ATOM 0 H LEU A 90 0.695 -0.647 7.748 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.008 0.690 5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.451 -2.244 6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.798 -1.677 5.261 1.00 0.00 H new ATOM 0 HG LEU A 90 1.147 -1.242 4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.687 -2.662 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.362 -3.521 4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.989 -2.882 3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.393 -0.219 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.296 -0.346 3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.156 0.708 3.982 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.127 0.332 7.048 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.277 0.344 7.946 1.00 0.00 C ATOM 1460 C VAL A 91 -5.589 0.105 7.212 1.00 0.00 C ATOM 1461 O VAL A 91 -5.681 0.263 5.990 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.399 1.687 8.689 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -3.829 1.584 10.096 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -3.733 2.802 7.895 1.00 0.00 C ATOM 0 H VAL A 91 -3.294 0.762 6.138 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.101 -0.468 8.652 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.457 1.933 8.783 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.927 2.546 10.600 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.375 0.824 10.655 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.776 1.308 10.043 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.830 3.743 8.437 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.677 2.570 7.757 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.214 2.893 6.921 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.601 -0.274 7.986 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.940 -0.511 7.467 1.00 0.00 C ATOM 1476 C TYR A 92 -8.824 0.671 7.852 1.00 0.00 C ATOM 1477 O TYR A 92 -9.497 0.643 8.881 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.503 -1.817 8.038 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.550 -2.482 7.169 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.382 -2.584 5.793 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.703 -3.019 7.730 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.334 -3.200 5.001 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.658 -3.638 6.945 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.468 -3.725 5.582 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.417 -4.340 4.797 1.00 0.00 O ATOM 0 H TYR A 92 -6.514 -0.425 8.991 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.910 -0.606 6.382 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.681 -2.515 8.193 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.937 -1.614 9.017 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.493 -2.176 5.335 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.855 -2.952 8.797 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.189 -3.269 3.933 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.548 -4.051 7.397 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.153 -4.656 5.361 1.00 0.00 H new ATOM 1495 N THR A 93 -8.796 1.717 7.028 1.00 0.00 N ATOM 1496 CA THR A 93 -9.557 2.937 7.298 1.00 0.00 C ATOM 1497 C THR A 93 -10.654 3.186 6.272 1.00 0.00 C ATOM 1498 O THR A 93 -10.664 2.588 5.205 1.00 0.00 O ATOM 1499 CB THR A 93 -8.623 4.155 7.300 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.391 5.363 7.341 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.740 4.147 6.061 1.00 0.00 C ATOM 0 H THR A 93 -8.253 1.745 6.165 1.00 0.00 H new ATOM 0 HA THR A 93 -10.022 2.797 8.274 1.00 0.00 H new ATOM 0 HB THR A 93 -7.988 4.105 8.185 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.735 5.563 6.445 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.083 5.017 6.077 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.138 3.238 6.049 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.365 4.180 5.169 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.569 4.094 6.602 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.667 4.440 5.706 1.00 0.00 C ATOM 1511 C ARG A 94 -12.403 5.777 5.013 1.00 0.00 C ATOM 1512 O ARG A 94 -12.709 6.833 5.564 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.987 4.521 6.475 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.401 3.211 7.122 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.767 3.319 7.780 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.812 3.654 6.817 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.108 3.689 7.116 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.515 3.412 8.349 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.998 4.002 6.185 1.00 0.00 N ATOM 0 H ARG A 94 -11.571 4.604 7.485 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.738 3.656 4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.900 5.285 7.247 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.774 4.844 5.794 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.420 2.423 6.369 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.660 2.922 7.867 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.011 2.374 8.266 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.735 4.080 8.560 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.533 3.874 5.861 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.834 3.172 9.069 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.509 3.439 8.576 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.690 4.217 5.237 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.991 4.028 6.417 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.813 5.750 3.803 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.523 6.967 3.037 1.00 0.00 C ATOM 1535 C PRO A 95 -12.698 7.941 3.015 1.00 0.00 C ATOM 1536 O PRO A 95 -12.513 9.151 2.883 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.247 6.425 1.637 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.662 5.076 1.877 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.362 4.535 3.094 1.00 0.00 C ATOM 0 HA PRO A 95 -10.700 7.539 3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.161 6.364 1.046 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.557 7.067 1.090 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.815 4.425 1.016 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.586 5.140 2.041 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.201 3.894 2.822 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.691 3.937 3.710 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.901 7.401 3.147 1.00 0.00 N ATOM 1548 CA PHE A 96 -15.110 8.198 3.146 1.00 0.00 C ATOM 1549 C PHE A 96 -15.268 8.966 4.458 1.00 0.00 C ATOM 1550 O PHE A 96 -15.679 10.127 4.462 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.307 7.282 2.921 1.00 0.00 C ATOM 1552 CG PHE A 96 -16.259 6.544 1.612 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.469 5.415 1.467 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -17.001 6.982 0.527 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.418 4.736 0.265 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -16.956 6.307 -0.678 1.00 0.00 C ATOM 1557 CZ PHE A 96 -16.163 5.183 -0.810 1.00 0.00 C ATOM 0 H PHE A 96 -14.062 6.400 3.257 1.00 0.00 H new ATOM 0 HA PHE A 96 -15.049 8.931 2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.359 6.559 3.735 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -17.221 7.875 2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.886 5.061 2.304 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.621 7.861 0.624 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.797 3.858 0.165 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -17.540 6.658 -1.516 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.125 4.655 -1.751 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.940 8.310 5.569 1.00 0.00 N ATOM 1568 CA GLU A 97 -15.048 8.931 6.887 1.00 0.00 C ATOM 1569 C GLU A 97 -13.680 9.355 7.414 1.00 0.00 C ATOM 1570 O GLU A 97 -13.389 10.545 7.536 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.705 7.966 7.878 1.00 0.00 C ATOM 1572 CG GLU A 97 -17.106 7.537 7.473 1.00 0.00 C ATOM 1573 CD GLU A 97 -18.065 8.706 7.362 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.708 9.046 8.379 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -18.174 9.283 6.260 1.00 0.00 O ATOM 0 H GLU A 97 -14.598 7.349 5.583 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.668 9.821 6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -15.078 7.080 7.979 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.749 8.440 8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.060 7.017 6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.490 6.825 8.204 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.845 8.369 7.724 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.518 8.644 8.247 1.00 0.00 C ATOM 1584 C GLY A 98 -10.918 7.441 8.927 1.00 0.00 C ATOM 1585 O GLY A 98 -11.530 6.374 8.979 1.00 0.00 O ATOM 0 H GLY A 98 -13.065 7.378 7.622 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.867 8.963 7.433 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.572 9.471 8.955 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.716 7.612 9.451 1.00 0.00 N ATOM 1590 CA ILE A 99 -9.020 6.532 10.121 1.00 0.00 C ATOM 1591 C ILE A 99 -9.332 6.515 11.611 1.00 0.00 C ATOM 1592 O ILE A 99 -9.491 7.562 12.237 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.506 6.647 9.909 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.213 7.069 8.465 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.833 5.321 10.234 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.772 7.468 8.232 1.00 0.00 C ATOM 0 H ILE A 99 -9.202 8.493 9.424 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.369 5.597 9.684 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.104 7.408 10.578 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.466 6.246 7.796 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.860 7.905 8.201 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.758 5.412 10.081 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.031 5.058 11.273 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.228 4.543 9.581 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.638 7.754 7.189 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.519 8.311 8.875 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.119 6.626 8.464 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.418 5.314 12.171 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.729 5.144 13.584 1.00 0.00 C ATOM 1610 C LYS A 100 -8.766 4.155 14.238 1.00 0.00 C ATOM 1611 O LYS A 100 -8.034 3.444 13.551 1.00 0.00 O ATOM 1612 CB LYS A 100 -11.174 4.663 13.737 1.00 0.00 C ATOM 1613 CG LYS A 100 -12.042 4.985 12.534 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.510 4.729 12.818 1.00 0.00 C ATOM 1615 CE LYS A 100 -14.371 5.857 12.282 1.00 0.00 C ATOM 1616 NZ LYS A 100 -14.264 5.985 10.803 1.00 0.00 N ATOM 0 H LYS A 100 -9.276 4.440 11.665 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.615 6.105 14.086 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.176 3.585 13.900 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.610 5.121 14.625 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.902 6.029 12.253 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.725 4.381 11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.814 3.787 12.362 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.664 4.628 13.892 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -15.411 5.681 12.556 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.072 6.795 12.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.966 6.673 10.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -13.309 6.311 10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -14.442 5.061 10.361 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.751 4.107 15.578 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.873 3.204 16.333 1.00 0.00 C ATOM 1632 C PRO A 101 -8.185 1.735 16.068 1.00 0.00 C ATOM 1633 O PRO A 101 -7.280 0.910 15.936 1.00 0.00 O ATOM 1634 CB PRO A 101 -8.173 3.555 17.796 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.801 4.906 17.745 1.00 0.00 C ATOM 1636 CD PRO A 101 -9.581 4.929 16.469 1.00 0.00 C ATOM 0 HA PRO A 101 -6.827 3.329 16.054 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.844 2.824 18.248 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.262 3.565 18.395 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.449 5.071 18.606 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.046 5.692 17.759 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.579 4.510 16.595 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.706 5.942 16.088 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.471 1.422 15.992 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.922 0.054 15.748 1.00 0.00 C ATOM 1646 C GLU A 102 -9.470 -0.450 14.379 1.00 0.00 C ATOM 1647 O GLU A 102 -9.548 -1.645 14.093 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.440 -0.018 15.845 1.00 0.00 C ATOM 1649 CG GLU A 102 -12.127 0.921 14.882 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.639 0.827 14.943 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -14.248 1.569 15.741 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -14.213 0.011 14.192 1.00 0.00 O ATOM 0 H GLU A 102 -10.226 2.100 16.096 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.474 -0.585 16.509 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.765 -1.039 15.646 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.747 0.222 16.863 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.823 1.944 15.101 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.795 0.700 13.868 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.001 0.465 13.539 1.00 0.00 N ATOM 1660 CA ASN A 103 -8.548 0.116 12.196 1.00 0.00 C ATOM 1661 C ASN A 103 -7.436 -0.922 12.236 1.00 0.00 C ATOM 1662 O ASN A 103 -6.498 -0.816 13.025 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.060 1.363 11.461 1.00 0.00 C ATOM 1664 CG ASN A 103 -9.182 2.337 11.150 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -9.086 3.127 10.214 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -10.256 2.284 11.930 1.00 0.00 N ATOM 0 H ASN A 103 -8.924 1.457 13.764 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.397 -0.312 11.662 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.306 1.865 12.067 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -7.575 1.065 10.531 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.040 2.914 11.762 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.296 1.613 12.697 1.00 0.00 H new ATOM 1673 N GLU A 104 -7.553 -1.929 11.375 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.559 -2.984 11.293 1.00 0.00 C ATOM 1675 C GLU A 104 -5.194 -2.392 10.965 1.00 0.00 C ATOM 1676 O GLU A 104 -5.097 -1.243 10.533 1.00 0.00 O ATOM 1677 CB GLU A 104 -6.970 -4.005 10.233 1.00 0.00 C ATOM 1678 CG GLU A 104 -6.612 -5.431 10.601 1.00 0.00 C ATOM 1679 CD GLU A 104 -7.403 -6.457 9.813 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -8.595 -6.658 10.130 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -6.832 -7.060 8.881 1.00 0.00 O ATOM 0 H GLU A 104 -8.331 -2.033 10.724 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.494 -3.489 12.257 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.046 -3.938 10.073 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.490 -3.750 9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.547 -5.589 10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.789 -5.582 11.666 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.142 -3.175 11.164 1.00 0.00 N ATOM 1689 CA ARG A 105 -2.787 -2.702 10.906 1.00 0.00 C ATOM 1690 C ARG A 105 -1.930 -3.780 10.250 1.00 0.00 C ATOM 1691 O ARG A 105 -2.243 -4.968 10.322 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.142 -2.253 12.224 1.00 0.00 C ATOM 1693 CG ARG A 105 -0.721 -1.731 12.081 1.00 0.00 C ATOM 1694 CD ARG A 105 -0.588 -0.333 12.656 1.00 0.00 C ATOM 1695 NE ARG A 105 -0.837 -0.308 14.094 1.00 0.00 N ATOM 1696 CZ ARG A 105 -0.803 0.799 14.830 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -0.530 1.967 14.265 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -1.040 0.737 16.133 1.00 0.00 N ATOM 0 H ARG A 105 -4.199 -4.136 11.502 1.00 0.00 H new ATOM 0 HA ARG A 105 -2.847 -1.861 10.216 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.760 -1.473 12.670 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.139 -3.093 12.918 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.031 -2.404 12.591 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.438 -1.722 11.028 1.00 0.00 H new ATOM 0 HD2 ARG A 105 0.413 0.048 12.455 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.290 0.334 12.155 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.049 -1.190 14.561 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.345 2.018 13.263 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -0.505 2.814 14.832 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -1.249 -0.160 16.571 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.014 1.586 16.697 1.00 0.00 H new ATOM 1712 N TYR A 106 -0.866 -3.343 9.584 1.00 0.00 N ATOM 1713 CA TYR A 106 0.075 -4.246 8.939 1.00 0.00 C ATOM 1714 C TYR A 106 1.374 -3.517 8.641 1.00 0.00 C ATOM 1715 O TYR A 106 1.462 -2.720 7.707 1.00 0.00 O ATOM 1716 CB TYR A 106 -0.518 -4.861 7.679 1.00 0.00 C ATOM 1717 CG TYR A 106 0.453 -5.723 6.910 1.00 0.00 C ATOM 1718 CD1 TYR A 106 1.312 -5.178 5.966 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.504 -7.089 7.135 1.00 0.00 C ATOM 1720 CE1 TYR A 106 2.198 -5.975 5.267 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.384 -7.892 6.443 1.00 0.00 C ATOM 1722 CZ TYR A 106 2.230 -7.333 5.509 1.00 0.00 C ATOM 1723 OH TYR A 106 3.110 -8.132 4.816 1.00 0.00 O ATOM 0 H TYR A 106 -0.634 -2.355 9.478 1.00 0.00 H new ATOM 0 HA TYR A 106 0.289 -5.067 9.623 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.386 -5.461 7.952 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.875 -4.062 7.029 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.288 -4.115 5.775 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.157 -7.532 7.865 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.862 -5.538 4.536 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.411 -8.955 6.631 1.00 0.00 H new ATOM 0 HH TYR A 106 3.005 -9.062 5.106 1.00 0.00 H new ATOM 1733 N THR A 107 2.372 -3.792 9.467 1.00 0.00 N ATOM 1734 CA THR A 107 3.674 -3.178 9.348 1.00 0.00 C ATOM 1735 C THR A 107 4.684 -4.127 8.708 1.00 0.00 C ATOM 1736 O THR A 107 5.102 -5.104 9.326 1.00 0.00 O ATOM 1737 CB THR A 107 4.170 -2.775 10.741 1.00 0.00 C ATOM 1738 OG1 THR A 107 3.603 -3.642 11.729 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.809 -1.331 11.055 1.00 0.00 C ATOM 0 H THR A 107 2.295 -4.452 10.241 1.00 0.00 H new ATOM 0 HA THR A 107 3.580 -2.301 8.708 1.00 0.00 H new ATOM 0 HB THR A 107 5.256 -2.867 10.755 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.755 -3.266 12.046 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.173 -1.073 12.049 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.269 -0.673 10.318 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.726 -1.212 11.023 1.00 0.00 H new ATOM 1747 N LEU A 108 5.084 -3.832 7.472 1.00 0.00 N ATOM 1748 CA LEU A 108 6.043 -4.681 6.769 1.00 0.00 C ATOM 1749 C LEU A 108 7.445 -4.526 7.349 1.00 0.00 C ATOM 1750 O LEU A 108 7.973 -3.417 7.450 1.00 0.00 O ATOM 1751 CB LEU A 108 6.059 -4.378 5.271 1.00 0.00 C ATOM 1752 CG LEU A 108 6.923 -5.322 4.429 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.548 -6.775 4.687 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.785 -4.994 2.952 1.00 0.00 C ATOM 0 H LEU A 108 4.763 -3.021 6.942 1.00 0.00 H new ATOM 0 HA LEU A 108 5.723 -5.714 6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.036 -4.416 4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.414 -3.358 5.126 1.00 0.00 H new ATOM 0 HG LEU A 108 7.964 -5.181 4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.175 -7.426 4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.699 -7.008 5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.501 -6.932 4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.406 -5.674 2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.743 -5.104 2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.107 -3.968 2.776 1.00 0.00 H new ATOM 1766 N HIS A 109 8.021 -5.668 7.716 1.00 0.00 N ATOM 1767 CA HIS A 109 9.357 -5.761 8.308 1.00 0.00 C ATOM 1768 C HIS A 109 10.475 -5.343 7.352 1.00 0.00 C ATOM 1769 O HIS A 109 11.335 -6.164 7.045 1.00 0.00 O ATOM 1770 CB HIS A 109 9.589 -7.220 8.725 1.00 0.00 C ATOM 1771 CG HIS A 109 9.071 -8.219 7.735 1.00 0.00 C ATOM 1772 ND1 HIS A 109 9.503 -8.273 6.426 1.00 0.00 N ATOM 1773 CD2 HIS A 109 8.157 -9.208 7.870 1.00 0.00 C ATOM 1774 CE1 HIS A 109 8.875 -9.251 5.799 1.00 0.00 C ATOM 1775 NE2 HIS A 109 8.054 -9.835 6.652 1.00 0.00 N ATOM 0 H HIS A 109 7.565 -6.574 7.609 1.00 0.00 H new ATOM 0 HA HIS A 109 9.391 -5.075 9.155 1.00 0.00 H new ATOM 0 HB2 HIS A 109 10.657 -7.383 8.867 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.109 -7.394 9.688 1.00 0.00 H new ATOM 0 HD1 HIS A 109 10.198 -7.655 6.008 1.00 0.00 H new ATOM 0 HD2 HIS A 109 7.611 -9.458 8.768 1.00 0.00 H new ATOM 0 HE1 HIS A 109 9.010 -9.526 4.764 1.00 0.00 H new ATOM 1784 N LEU A 110 10.529 -4.064 6.956 1.00 0.00 N ATOM 1785 CA LEU A 110 11.545 -3.618 6.003 1.00 0.00 C ATOM 1786 C LEU A 110 12.704 -2.876 6.665 1.00 0.00 C ATOM 1787 O LEU A 110 13.020 -1.751 6.280 1.00 0.00 O ATOM 1788 CB LEU A 110 10.917 -2.722 4.935 1.00 0.00 C ATOM 1789 CG LEU A 110 9.788 -3.364 4.129 1.00 0.00 C ATOM 1790 CD1 LEU A 110 9.158 -2.345 3.192 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.302 -4.564 3.347 1.00 0.00 C ATOM 0 H LEU A 110 9.892 -3.334 7.276 1.00 0.00 H new ATOM 0 HA LEU A 110 11.953 -4.521 5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.532 -1.824 5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 110 11.699 -2.403 4.245 1.00 0.00 H new ATOM 0 HG LEU A 110 9.024 -3.712 4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.356 -2.819 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.752 -1.518 3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.914 -1.967 2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.483 -5.007 2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.086 -4.243 2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.706 -5.303 4.039 1.00 0.00 H new ATOM 1803 N ASN A 111 13.329 -3.495 7.659 1.00 0.00 N ATOM 1804 CA ASN A 111 14.475 -2.884 8.323 1.00 0.00 C ATOM 1805 C ASN A 111 15.669 -2.897 7.375 1.00 0.00 C ATOM 1806 O ASN A 111 16.581 -3.712 7.508 1.00 0.00 O ATOM 1807 CB ASN A 111 14.814 -3.623 9.619 1.00 0.00 C ATOM 1808 CG ASN A 111 16.067 -3.084 10.285 1.00 0.00 C ATOM 1809 OD1 ASN A 111 16.395 -1.906 10.154 1.00 0.00 O ATOM 1810 ND2 ASN A 111 16.775 -3.949 11.002 1.00 0.00 N ATOM 0 H ASN A 111 13.065 -4.411 8.021 1.00 0.00 H new ATOM 0 HA ASN A 111 14.227 -1.855 8.583 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.975 -3.541 10.310 1.00 0.00 H new ATOM 0 HB3 ASN A 111 14.948 -4.683 9.404 1.00 0.00 H new ATOM 0 HD21 ASN A 111 17.628 -3.645 11.471 1.00 0.00 H new ATOM 0 HD22 ASN A 111 16.466 -4.917 11.084 1.00 0.00 H new ATOM 1817 N VAL A 112 15.642 -1.985 6.414 1.00 0.00 N ATOM 1818 CA VAL A 112 16.690 -1.885 5.406 1.00 0.00 C ATOM 1819 C VAL A 112 18.073 -1.766 6.038 1.00 0.00 C ATOM 1820 O VAL A 112 18.220 -1.235 7.140 1.00 0.00 O ATOM 1821 CB VAL A 112 16.450 -0.679 4.476 1.00 0.00 C ATOM 1822 CG1 VAL A 112 17.185 -0.859 3.159 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.961 -0.474 4.239 1.00 0.00 C ATOM 0 H VAL A 112 14.897 -1.296 6.310 1.00 0.00 H new ATOM 0 HA VAL A 112 16.653 -2.805 4.822 1.00 0.00 H new ATOM 0 HB VAL A 112 16.844 0.212 4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 112 17.001 0.004 2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 112 18.255 -0.949 3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.827 -1.761 2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.812 0.382 3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.540 -1.366 3.776 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.463 -0.290 5.191 1.00 0.00 H new ATOM 1833 N LYS A 113 19.083 -2.269 5.333 1.00 0.00 N ATOM 1834 CA LYS A 113 20.456 -2.222 5.819 1.00 0.00 C ATOM 1835 C LYS A 113 21.217 -1.056 5.198 1.00 0.00 C ATOM 1836 O LYS A 113 21.623 -1.173 4.023 1.00 0.00 O ATOM 1837 CB LYS A 113 21.173 -3.537 5.508 1.00 0.00 C ATOM 1838 CG LYS A 113 20.585 -4.743 6.225 1.00 0.00 C ATOM 1839 CD LYS A 113 21.249 -4.984 7.574 1.00 0.00 C ATOM 1840 CE LYS A 113 20.882 -3.910 8.588 1.00 0.00 C ATOM 1841 NZ LYS A 113 19.409 -3.728 8.698 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.405 -0.036 5.895 1.00 0.00 O ATOM 0 H LYS A 113 18.974 -2.714 4.422 1.00 0.00 H new ATOM 0 HA LYS A 113 20.427 -2.077 6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 113 21.138 -3.713 4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.224 -3.440 5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.515 -4.593 6.369 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.701 -5.629 5.600 1.00 0.00 H new ATOM 0 HD2 LYS A 113 20.951 -5.961 7.956 1.00 0.00 H new ATOM 0 HD3 LYS A 113 22.331 -5.008 7.447 1.00 0.00 H new ATOM 0 HE2 LYS A 113 21.288 -4.178 9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 113 21.344 -2.966 8.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 19.150 -3.587 9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 19.120 -2.897 8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 18.926 -4.573 8.331 1.00 0.00 H new