USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 710 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 37 CYS SG : rot -1:sc= -0.501 USER MOD Set 1.2: A 51 HIS :FLIP no HD1:sc= -3.55! C(o=-11!,f=-4!) USER MOD Set 2.1: A 17 SER OG : rot 80:sc= -1.38 USER MOD Set 2.2: A 19 MET CE :methyl -136:sc= -1.75 (180deg=-5.61!) USER MOD Set 2.3: A 24 MET CE :methyl -168:sc= -2.78 (180deg=-3.16!) USER MOD Single : A 15 THR OG1 : rot 27:sc= 0.0288 USER MOD Single : A 16 THR OG1 : rot 40:sc= 0.122 USER MOD Single : A 18 SER OG : rot 180:sc=-0.00155 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 174:sc= -4.25! (180deg=-4.64!) USER MOD Single : A 30 LYS NZ :NH3+ 160:sc= -0.0352 (180deg=-0.274) USER MOD Single : A 35 ASN : amide:sc= -0.258 X(o=-0.26,f=0) USER MOD Single : A 36 ASN : amide:sc= -1.04 X(o=-1,f=-1) USER MOD Single : A 39 TYR OH : rot 130:sc= 0.189 USER MOD Single : A 41 GLN : amide:sc= -0.755 K(o=-0.75,f=-4.2!) USER MOD Single : A 49 CYS SG : rot -160:sc= -0.192 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN :FLIP amide:sc= -2.03 F(o=-5.6!,f=-2) USER MOD Single : A 61 GLN : amide:sc= -0.0131 K(o=-0.013,f=-1) USER MOD Single : A 64 MET CE :methyl 168:sc= -6.59! (180deg=-7.46!) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.0816 USER MOD Single : A 68 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0112) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -1.08 K(o=-1.1,f=-4.1!) USER MOD Single : A 80 LYS NZ :NH3+ 175:sc=-0.00199 (180deg=-0.0547) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.00735 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.324 K(o=-0.32,f=-2.6!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 15 10.397 9.846 -5.824 1.00 0.00 N ATOM 199 CA THR A 15 10.975 9.544 -4.520 1.00 0.00 C ATOM 200 C THR A 15 11.906 8.340 -4.597 1.00 0.00 C ATOM 201 O THR A 15 11.469 7.217 -4.854 1.00 0.00 O ATOM 202 CB THR A 15 9.880 9.266 -3.472 1.00 0.00 C ATOM 203 OG1 THR A 15 9.078 10.436 -3.280 1.00 0.00 O ATOM 204 CG2 THR A 15 10.496 8.843 -2.146 1.00 0.00 C ATOM 0 HA THR A 15 11.545 10.422 -4.216 1.00 0.00 H new ATOM 0 HB THR A 15 9.253 8.453 -3.839 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.088 10.977 -4.097 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.704 8.652 -1.421 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.082 7.936 -2.290 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.143 9.638 -1.775 1.00 0.00 H new ATOM 212 N THR A 16 13.195 8.578 -4.372 1.00 0.00 N ATOM 213 CA THR A 16 14.189 7.514 -4.417 1.00 0.00 C ATOM 214 C THR A 16 14.875 7.345 -3.066 1.00 0.00 C ATOM 215 O THR A 16 15.446 8.293 -2.527 1.00 0.00 O ATOM 216 CB THR A 16 15.257 7.787 -5.492 1.00 0.00 C ATOM 217 OG1 THR A 16 15.754 9.123 -5.360 1.00 0.00 O ATOM 218 CG2 THR A 16 14.684 7.589 -6.887 1.00 0.00 C ATOM 0 H THR A 16 13.574 9.500 -4.157 1.00 0.00 H new ATOM 0 HA THR A 16 13.658 6.596 -4.669 1.00 0.00 H new ATOM 0 HB THR A 16 16.074 7.080 -5.349 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.852 9.343 -4.410 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.457 7.788 -7.629 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.333 6.563 -6.994 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.851 8.275 -7.039 1.00 0.00 H new ATOM 226 N SER A 17 14.815 6.133 -2.524 1.00 0.00 N ATOM 227 CA SER A 17 15.428 5.841 -1.233 1.00 0.00 C ATOM 228 C SER A 17 16.830 5.267 -1.416 1.00 0.00 C ATOM 229 O SER A 17 17.317 5.134 -2.538 1.00 0.00 O ATOM 230 CB SER A 17 14.561 4.860 -0.443 1.00 0.00 C ATOM 231 OG SER A 17 13.245 5.358 -0.281 1.00 0.00 O ATOM 0 H SER A 17 14.348 5.337 -2.959 1.00 0.00 H new ATOM 0 HA SER A 17 15.506 6.774 -0.675 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.529 3.901 -0.960 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.008 4.681 0.535 1.00 0.00 H new ATOM 0 HG SER A 17 12.733 5.202 -1.102 1.00 0.00 H new ATOM 237 N SER A 18 17.473 4.928 -0.303 1.00 0.00 N ATOM 238 CA SER A 18 18.820 4.371 -0.338 1.00 0.00 C ATOM 239 C SER A 18 18.877 3.039 0.403 1.00 0.00 C ATOM 240 O SER A 18 19.416 2.056 -0.106 1.00 0.00 O ATOM 241 CB SER A 18 19.817 5.354 0.280 1.00 0.00 C ATOM 242 OG SER A 18 19.415 5.736 1.584 1.00 0.00 O ATOM 0 H SER A 18 17.083 5.029 0.634 1.00 0.00 H new ATOM 0 HA SER A 18 19.088 4.199 -1.380 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.806 4.897 0.320 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.900 6.238 -0.352 1.00 0.00 H new ATOM 0 HG SER A 18 20.069 6.363 1.958 1.00 0.00 H new ATOM 248 N MET A 19 18.316 3.014 1.607 1.00 0.00 N ATOM 249 CA MET A 19 18.302 1.802 2.418 1.00 0.00 C ATOM 250 C MET A 19 17.493 0.702 1.738 1.00 0.00 C ATOM 251 O MET A 19 16.875 0.927 0.697 1.00 0.00 O ATOM 252 CB MET A 19 17.720 2.097 3.802 1.00 0.00 C ATOM 253 CG MET A 19 16.201 2.156 3.823 1.00 0.00 C ATOM 254 SD MET A 19 15.559 3.728 3.217 1.00 0.00 S ATOM 255 CE MET A 19 13.842 3.307 2.936 1.00 0.00 C ATOM 0 H MET A 19 17.865 3.819 2.043 1.00 0.00 H new ATOM 0 HA MET A 19 19.330 1.457 2.529 1.00 0.00 H new ATOM 0 HB2 MET A 19 18.055 1.329 4.499 1.00 0.00 H new ATOM 0 HB3 MET A 19 18.117 3.047 4.159 1.00 0.00 H new ATOM 0 HG2 MET A 19 15.801 1.345 3.214 1.00 0.00 H new ATOM 0 HG3 MET A 19 15.849 1.992 4.842 1.00 0.00 H new ATOM 0 HE1 MET A 19 13.519 3.717 1.979 1.00 0.00 H new ATOM 0 HE2 MET A 19 13.731 2.223 2.922 1.00 0.00 H new ATOM 0 HE3 MET A 19 13.230 3.724 3.735 1.00 0.00 H new ATOM 265 N ASP A 20 17.503 -0.486 2.331 1.00 0.00 N ATOM 266 CA ASP A 20 16.770 -1.621 1.782 1.00 0.00 C ATOM 267 C ASP A 20 15.265 -1.382 1.854 1.00 0.00 C ATOM 268 O ASP A 20 14.781 -0.541 2.612 1.00 0.00 O ATOM 269 CB ASP A 20 17.132 -2.902 2.534 1.00 0.00 C ATOM 270 CG ASP A 20 18.324 -3.614 1.925 1.00 0.00 C ATOM 271 OD1 ASP A 20 19.180 -2.930 1.326 1.00 0.00 O ATOM 272 OD2 ASP A 20 18.400 -4.855 2.046 1.00 0.00 O ATOM 0 H ASP A 20 18.011 -0.689 3.192 1.00 0.00 H new ATOM 0 HA ASP A 20 17.053 -1.732 0.735 1.00 0.00 H new ATOM 0 HB2 ASP A 20 17.350 -2.660 3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.273 -3.574 2.536 1.00 0.00 H new ATOM 277 N PRO A 21 14.506 -2.138 1.047 1.00 0.00 N ATOM 278 CA PRO A 21 13.045 -2.026 1.001 1.00 0.00 C ATOM 279 C PRO A 21 12.383 -2.547 2.272 1.00 0.00 C ATOM 280 O PRO A 21 11.256 -2.172 2.595 1.00 0.00 O ATOM 281 CB PRO A 21 12.660 -2.898 -0.197 1.00 0.00 C ATOM 282 CG PRO A 21 13.772 -3.882 -0.322 1.00 0.00 C ATOM 283 CD PRO A 21 15.015 -3.160 0.117 1.00 0.00 C ATOM 0 HA PRO A 21 12.719 -0.990 0.915 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.706 -3.398 -0.032 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.555 -2.302 -1.103 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.589 -4.758 0.300 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.868 -4.234 -1.349 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.719 -3.833 0.606 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.538 -2.710 -0.727 1.00 0.00 H new ATOM 291 N SER A 22 13.091 -3.413 2.990 1.00 0.00 N ATOM 292 CA SER A 22 12.571 -3.987 4.225 1.00 0.00 C ATOM 293 C SER A 22 12.170 -2.891 5.208 1.00 0.00 C ATOM 294 O SER A 22 11.412 -3.132 6.148 1.00 0.00 O ATOM 295 CB SER A 22 13.615 -4.905 4.865 1.00 0.00 C ATOM 296 OG SER A 22 13.075 -5.589 5.983 1.00 0.00 O ATOM 0 H SER A 22 14.026 -3.732 2.738 1.00 0.00 H new ATOM 0 HA SER A 22 11.685 -4.572 3.979 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.969 -5.627 4.129 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.479 -4.317 5.176 1.00 0.00 H new ATOM 0 HG SER A 22 13.761 -6.170 6.373 1.00 0.00 H new ATOM 302 N ASP A 23 12.684 -1.687 4.983 1.00 0.00 N ATOM 303 CA ASP A 23 12.380 -0.552 5.847 1.00 0.00 C ATOM 304 C ASP A 23 11.116 0.162 5.380 1.00 0.00 C ATOM 305 O ASP A 23 10.279 0.558 6.192 1.00 0.00 O ATOM 306 CB ASP A 23 13.555 0.427 5.871 1.00 0.00 C ATOM 307 CG ASP A 23 14.773 -0.148 6.568 1.00 0.00 C ATOM 308 OD1 ASP A 23 14.726 -0.312 7.805 1.00 0.00 O ATOM 309 OD2 ASP A 23 15.773 -0.432 5.876 1.00 0.00 O ATOM 0 H ASP A 23 13.313 -1.472 4.210 1.00 0.00 H new ATOM 0 HA ASP A 23 12.211 -0.929 6.856 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.819 0.698 4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.250 1.344 6.376 1.00 0.00 H new ATOM 314 N MET A 24 10.984 0.325 4.068 1.00 0.00 N ATOM 315 CA MET A 24 9.822 0.993 3.494 1.00 0.00 C ATOM 316 C MET A 24 8.530 0.446 4.093 1.00 0.00 C ATOM 317 O MET A 24 7.783 1.172 4.748 1.00 0.00 O ATOM 318 CB MET A 24 9.806 0.819 1.974 1.00 0.00 C ATOM 319 CG MET A 24 10.920 1.573 1.264 1.00 0.00 C ATOM 320 SD MET A 24 10.438 3.247 0.799 1.00 0.00 S ATOM 321 CE MET A 24 10.753 3.212 -0.964 1.00 0.00 C ATOM 0 H MET A 24 11.667 0.004 3.382 1.00 0.00 H new ATOM 0 HA MET A 24 9.891 2.055 3.730 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.888 -0.242 1.737 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.845 1.159 1.588 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.794 1.618 1.913 1.00 0.00 H new ATOM 0 HG3 MET A 24 11.214 1.022 0.371 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.709 4.226 -1.362 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.742 2.792 -1.149 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.000 2.597 -1.456 1.00 0.00 H new ATOM 331 N MET A 25 8.273 -0.838 3.863 1.00 0.00 N ATOM 332 CA MET A 25 7.072 -1.481 4.382 1.00 0.00 C ATOM 333 C MET A 25 6.737 -0.964 5.777 1.00 0.00 C ATOM 334 O MET A 25 5.573 -0.940 6.178 1.00 0.00 O ATOM 335 CB MET A 25 7.256 -2.999 4.419 1.00 0.00 C ATOM 336 CG MET A 25 6.819 -3.696 3.140 1.00 0.00 C ATOM 337 SD MET A 25 5.086 -4.190 3.176 1.00 0.00 S ATOM 338 CE MET A 25 4.296 -2.703 2.564 1.00 0.00 C ATOM 0 H MET A 25 8.880 -1.453 3.321 1.00 0.00 H new ATOM 0 HA MET A 25 6.244 -1.238 3.716 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.306 -3.225 4.606 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.689 -3.405 5.256 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.986 -3.030 2.293 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.441 -4.577 2.980 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.230 -2.887 2.427 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.436 -1.895 3.282 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.741 -2.421 1.610 1.00 0.00 H new ATOM 348 N ARG A 26 7.764 -0.550 6.512 1.00 0.00 N ATOM 349 CA ARG A 26 7.579 -0.035 7.863 1.00 0.00 C ATOM 350 C ARG A 26 7.369 1.477 7.844 1.00 0.00 C ATOM 351 O ARG A 26 6.534 2.006 8.576 1.00 0.00 O ATOM 352 CB ARG A 26 8.786 -0.382 8.735 1.00 0.00 C ATOM 353 CG ARG A 26 8.489 -0.357 10.226 1.00 0.00 C ATOM 354 CD ARG A 26 9.514 -1.159 11.012 1.00 0.00 C ATOM 355 NE ARG A 26 8.974 -1.647 12.278 1.00 0.00 N ATOM 356 CZ ARG A 26 9.727 -2.112 13.268 1.00 0.00 C ATOM 357 NH1 ARG A 26 11.046 -2.152 13.139 1.00 0.00 N ATOM 358 NH2 ARG A 26 9.162 -2.538 14.390 1.00 0.00 N ATOM 0 H ARG A 26 8.733 -0.561 6.194 1.00 0.00 H new ATOM 0 HA ARG A 26 6.690 -0.503 8.284 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.148 -1.373 8.462 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.591 0.321 8.522 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.483 0.674 10.580 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.493 -0.761 10.406 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.850 -2.004 10.412 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.388 -0.538 11.206 1.00 0.00 H new ATOM 0 HE ARG A 26 7.963 -1.630 12.409 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.484 -1.825 12.278 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.622 -2.510 13.901 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.148 -2.509 14.493 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.742 -2.895 15.149 1.00 0.00 H new ATOM 372 N GLU A 27 8.136 2.165 7.003 1.00 0.00 N ATOM 373 CA GLU A 27 8.035 3.615 6.891 1.00 0.00 C ATOM 374 C GLU A 27 6.675 4.024 6.332 1.00 0.00 C ATOM 375 O GLU A 27 5.990 4.877 6.898 1.00 0.00 O ATOM 376 CB GLU A 27 9.151 4.159 5.997 1.00 0.00 C ATOM 377 CG GLU A 27 9.284 5.672 6.041 1.00 0.00 C ATOM 378 CD GLU A 27 9.492 6.198 7.448 1.00 0.00 C ATOM 379 OE1 GLU A 27 8.503 6.275 8.206 1.00 0.00 O ATOM 380 OE2 GLU A 27 10.645 6.533 7.790 1.00 0.00 O ATOM 0 H GLU A 27 8.833 1.742 6.390 1.00 0.00 H new ATOM 0 HA GLU A 27 8.141 4.039 7.890 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.098 3.711 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.965 3.849 4.969 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.122 5.978 5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.388 6.124 5.617 1.00 0.00 H new ATOM 387 N ILE A 28 6.292 3.411 5.217 1.00 0.00 N ATOM 388 CA ILE A 28 5.015 3.710 4.581 1.00 0.00 C ATOM 389 C ILE A 28 3.896 3.807 5.613 1.00 0.00 C ATOM 390 O ILE A 28 3.129 4.769 5.623 1.00 0.00 O ATOM 391 CB ILE A 28 4.642 2.642 3.536 1.00 0.00 C ATOM 392 CG1 ILE A 28 5.676 2.620 2.408 1.00 0.00 C ATOM 393 CG2 ILE A 28 3.250 2.907 2.981 1.00 0.00 C ATOM 394 CD1 ILE A 28 5.412 1.553 1.368 1.00 0.00 C ATOM 0 H ILE A 28 6.848 2.704 4.735 1.00 0.00 H new ATOM 0 HA ILE A 28 5.130 4.672 4.081 1.00 0.00 H new ATOM 0 HB ILE A 28 4.638 1.666 4.020 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.691 3.595 1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.666 2.462 2.836 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.001 2.144 2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.523 2.878 3.793 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.228 3.889 2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.184 1.595 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.426 0.572 1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.436 1.722 0.913 1.00 0.00 H new ATOM 406 N ARG A 29 3.811 2.804 6.481 1.00 0.00 N ATOM 407 CA ARG A 29 2.787 2.776 7.519 1.00 0.00 C ATOM 408 C ARG A 29 3.048 3.851 8.570 1.00 0.00 C ATOM 409 O ARG A 29 2.117 4.457 9.099 1.00 0.00 O ATOM 410 CB ARG A 29 2.740 1.399 8.182 1.00 0.00 C ATOM 411 CG ARG A 29 2.470 0.263 7.209 1.00 0.00 C ATOM 412 CD ARG A 29 2.318 -1.066 7.932 1.00 0.00 C ATOM 413 NE ARG A 29 3.595 -1.563 8.438 1.00 0.00 N ATOM 414 CZ ARG A 29 3.787 -2.812 8.848 1.00 0.00 C ATOM 415 NH1 ARG A 29 2.791 -3.686 8.811 1.00 0.00 N ATOM 416 NH2 ARG A 29 4.978 -3.189 9.294 1.00 0.00 N ATOM 0 H ARG A 29 4.439 2.000 6.486 1.00 0.00 H new ATOM 0 HA ARG A 29 1.824 2.978 7.050 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.688 1.216 8.687 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.966 1.401 8.949 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.564 0.476 6.642 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.287 0.196 6.490 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.620 -0.950 8.761 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.886 -1.801 7.253 1.00 0.00 H new ATOM 0 HE ARG A 29 4.382 -0.916 8.479 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.874 -3.400 8.467 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.941 -4.644 9.126 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.747 -2.520 9.322 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.125 -4.148 9.609 1.00 0.00 H new ATOM 430 N LYS A 30 4.322 4.081 8.869 1.00 0.00 N ATOM 431 CA LYS A 30 4.708 5.082 9.856 1.00 0.00 C ATOM 432 C LYS A 30 4.260 6.474 9.424 1.00 0.00 C ATOM 433 O LYS A 30 3.405 7.088 10.062 1.00 0.00 O ATOM 434 CB LYS A 30 6.224 5.064 10.065 1.00 0.00 C ATOM 435 CG LYS A 30 6.651 5.476 11.463 1.00 0.00 C ATOM 436 CD LYS A 30 8.126 5.837 11.513 1.00 0.00 C ATOM 437 CE LYS A 30 8.360 7.282 11.100 1.00 0.00 C ATOM 438 NZ LYS A 30 7.844 8.240 12.117 1.00 0.00 N ATOM 0 H LYS A 30 5.105 3.587 8.441 1.00 0.00 H new ATOM 0 HA LYS A 30 4.215 4.837 10.797 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.598 4.061 9.861 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.690 5.732 9.340 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.056 6.329 11.789 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.451 4.662 12.160 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.506 5.680 12.522 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.687 5.174 10.854 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.427 7.449 10.952 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.872 7.470 10.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.302 9.165 11.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.815 8.344 12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.054 7.881 13.070 1.00 0.00 H new ATOM 452 N VAL A 31 4.841 6.966 8.334 1.00 0.00 N ATOM 453 CA VAL A 31 4.499 8.285 7.814 1.00 0.00 C ATOM 454 C VAL A 31 2.989 8.486 7.778 1.00 0.00 C ATOM 455 O VAL A 31 2.455 9.386 8.428 1.00 0.00 O ATOM 456 CB VAL A 31 5.069 8.495 6.399 1.00 0.00 C ATOM 457 CG1 VAL A 31 4.642 9.847 5.847 1.00 0.00 C ATOM 458 CG2 VAL A 31 6.585 8.369 6.411 1.00 0.00 C ATOM 0 H VAL A 31 5.551 6.471 7.794 1.00 0.00 H new ATOM 0 HA VAL A 31 4.944 9.017 8.488 1.00 0.00 H new ATOM 0 HB VAL A 31 4.669 7.720 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.054 9.978 4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.554 9.894 5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.012 10.639 6.498 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.971 8.520 5.403 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.007 9.121 7.078 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.865 7.375 6.761 1.00 0.00 H new ATOM 468 N LEU A 32 2.303 7.643 7.014 1.00 0.00 N ATOM 469 CA LEU A 32 0.852 7.727 6.893 1.00 0.00 C ATOM 470 C LEU A 32 0.195 7.819 8.266 1.00 0.00 C ATOM 471 O LEU A 32 -0.584 8.733 8.533 1.00 0.00 O ATOM 472 CB LEU A 32 0.312 6.512 6.137 1.00 0.00 C ATOM 473 CG LEU A 32 0.825 6.328 4.708 1.00 0.00 C ATOM 474 CD1 LEU A 32 0.649 4.886 4.259 1.00 0.00 C ATOM 475 CD2 LEU A 32 0.107 7.276 3.758 1.00 0.00 C ATOM 0 H LEU A 32 2.729 6.893 6.469 1.00 0.00 H new ATOM 0 HA LEU A 32 0.611 8.631 6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.556 5.616 6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.775 6.583 6.105 1.00 0.00 H new ATOM 0 HG LEU A 32 1.889 6.565 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.020 4.774 3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.209 4.227 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.408 4.621 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.484 7.132 2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.963 7.071 3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.285 8.306 4.068 1.00 0.00 H new ATOM 487 N GLY A 33 0.516 6.865 9.135 1.00 0.00 N ATOM 488 CA GLY A 33 -0.050 6.858 10.471 1.00 0.00 C ATOM 489 C GLY A 33 -0.083 8.239 11.095 1.00 0.00 C ATOM 490 O GLY A 33 -1.026 8.584 11.807 1.00 0.00 O ATOM 0 H GLY A 33 1.158 6.097 8.937 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.063 6.457 10.431 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.533 6.190 11.105 1.00 0.00 H new ATOM 494 N ALA A 34 0.950 9.032 10.828 1.00 0.00 N ATOM 495 CA ALA A 34 1.035 10.383 11.367 1.00 0.00 C ATOM 496 C ALA A 34 0.036 11.311 10.684 1.00 0.00 C ATOM 497 O ALA A 34 -0.598 12.142 11.333 1.00 0.00 O ATOM 498 CB ALA A 34 2.449 10.924 11.216 1.00 0.00 C ATOM 0 H ALA A 34 1.739 8.761 10.242 1.00 0.00 H new ATOM 0 HA ALA A 34 0.785 10.340 12.427 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.498 11.934 11.623 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.144 10.281 11.756 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.720 10.945 10.160 1.00 0.00 H new ATOM 504 N ASN A 35 -0.098 11.164 9.370 1.00 0.00 N ATOM 505 CA ASN A 35 -1.019 11.990 8.598 1.00 0.00 C ATOM 506 C ASN A 35 -2.435 11.423 8.652 1.00 0.00 C ATOM 507 O ASN A 35 -3.137 11.385 7.643 1.00 0.00 O ATOM 508 CB ASN A 35 -0.553 12.090 7.144 1.00 0.00 C ATOM 509 CG ASN A 35 0.746 12.861 7.005 1.00 0.00 C ATOM 510 OD1 ASN A 35 0.748 14.092 6.966 1.00 0.00 O ATOM 511 ND2 ASN A 35 1.858 12.139 6.930 1.00 0.00 N ATOM 0 H ASN A 35 0.420 10.480 8.818 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.029 12.987 9.038 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.422 11.087 6.737 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.327 12.577 6.550 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.762 12.603 6.836 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.808 11.121 6.966 1.00 0.00 H new ATOM 518 N ASN A 36 -2.846 10.984 9.837 1.00 0.00 N ATOM 519 CA ASN A 36 -4.177 10.419 10.023 1.00 0.00 C ATOM 520 C ASN A 36 -4.618 9.647 8.783 1.00 0.00 C ATOM 521 O ASN A 36 -5.795 9.654 8.421 1.00 0.00 O ATOM 522 CB ASN A 36 -5.185 11.527 10.333 1.00 0.00 C ATOM 523 CG ASN A 36 -6.590 10.991 10.532 1.00 0.00 C ATOM 524 OD1 ASN A 36 -7.530 11.416 9.859 1.00 0.00 O ATOM 525 ND2 ASN A 36 -6.740 10.053 11.460 1.00 0.00 N ATOM 0 H ASN A 36 -2.276 11.009 10.683 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.137 9.728 10.865 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.871 12.059 11.231 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.187 12.251 9.518 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.662 9.655 11.639 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.933 9.730 11.994 1.00 0.00 H new ATOM 532 N CYS A 37 -3.667 8.981 8.138 1.00 0.00 N ATOM 533 CA CYS A 37 -3.957 8.203 6.939 1.00 0.00 C ATOM 534 C CYS A 37 -4.128 6.726 7.277 1.00 0.00 C ATOM 535 O CYS A 37 -3.559 6.231 8.250 1.00 0.00 O ATOM 536 CB CYS A 37 -2.838 8.377 5.910 1.00 0.00 C ATOM 537 SG CYS A 37 -2.914 9.934 4.994 1.00 0.00 S ATOM 0 H CYS A 37 -2.688 8.964 8.425 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.892 8.570 6.515 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.877 8.314 6.420 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.878 7.549 5.202 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.955 10.612 5.377 1.00 0.00 H new ATOM 543 N ASP A 38 -4.916 6.027 6.467 1.00 0.00 N ATOM 544 CA ASP A 38 -5.163 4.605 6.681 1.00 0.00 C ATOM 545 C ASP A 38 -4.478 3.768 5.605 1.00 0.00 C ATOM 546 O ASP A 38 -4.549 4.086 4.418 1.00 0.00 O ATOM 547 CB ASP A 38 -6.666 4.322 6.686 1.00 0.00 C ATOM 548 CG ASP A 38 -7.275 4.453 8.068 1.00 0.00 C ATOM 549 OD1 ASP A 38 -6.809 3.752 8.991 1.00 0.00 O ATOM 550 OD2 ASP A 38 -8.217 5.257 8.227 1.00 0.00 O ATOM 0 H ASP A 38 -5.394 6.421 5.657 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.747 4.330 7.650 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.165 5.012 6.005 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.845 3.316 6.307 1.00 0.00 H new ATOM 555 N TYR A 39 -3.816 2.697 6.029 1.00 0.00 N ATOM 556 CA TYR A 39 -3.116 1.815 5.103 1.00 0.00 C ATOM 557 C TYR A 39 -3.444 0.353 5.389 1.00 0.00 C ATOM 558 O TYR A 39 -3.303 -0.116 6.517 1.00 0.00 O ATOM 559 CB TYR A 39 -1.605 2.038 5.197 1.00 0.00 C ATOM 560 CG TYR A 39 -1.104 2.196 6.615 1.00 0.00 C ATOM 561 CD1 TYR A 39 -0.836 1.086 7.406 1.00 0.00 C ATOM 562 CD2 TYR A 39 -0.897 3.457 7.162 1.00 0.00 C ATOM 563 CE1 TYR A 39 -0.379 1.227 8.702 1.00 0.00 C ATOM 564 CE2 TYR A 39 -0.438 3.606 8.457 1.00 0.00 C ATOM 565 CZ TYR A 39 -0.181 2.488 9.223 1.00 0.00 C ATOM 566 OH TYR A 39 0.276 2.632 10.513 1.00 0.00 O ATOM 0 H TYR A 39 -3.750 2.419 7.008 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.450 2.052 4.093 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.092 1.197 4.731 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.341 2.928 4.626 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.987 0.096 7.001 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.098 4.334 6.565 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.178 0.353 9.304 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.281 4.593 8.867 1.00 0.00 H new ATOM 0 HH TYR A 39 1.036 3.251 10.524 1.00 0.00 H new ATOM 576 N GLU A 40 -3.883 -0.361 4.357 1.00 0.00 N ATOM 577 CA GLU A 40 -4.232 -1.770 4.496 1.00 0.00 C ATOM 578 C GLU A 40 -3.319 -2.644 3.641 1.00 0.00 C ATOM 579 O GLU A 40 -3.020 -2.310 2.495 1.00 0.00 O ATOM 580 CB GLU A 40 -5.692 -1.998 4.101 1.00 0.00 C ATOM 581 CG GLU A 40 -6.682 -1.650 5.200 1.00 0.00 C ATOM 582 CD GLU A 40 -6.843 -2.764 6.215 1.00 0.00 C ATOM 583 OE1 GLU A 40 -5.816 -3.344 6.626 1.00 0.00 O ATOM 584 OE2 GLU A 40 -7.994 -3.057 6.599 1.00 0.00 O ATOM 0 H GLU A 40 -4.005 0.013 3.416 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.098 -2.050 5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.918 -1.401 3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.825 -3.043 3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.350 -0.745 5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.651 -1.428 4.754 1.00 0.00 H new ATOM 591 N GLN A 41 -2.880 -3.763 4.208 1.00 0.00 N ATOM 592 CA GLN A 41 -2.001 -4.684 3.498 1.00 0.00 C ATOM 593 C GLN A 41 -2.756 -5.415 2.392 1.00 0.00 C ATOM 594 O GLN A 41 -3.477 -6.379 2.653 1.00 0.00 O ATOM 595 CB GLN A 41 -1.393 -5.696 4.471 1.00 0.00 C ATOM 596 CG GLN A 41 -0.151 -6.388 3.933 1.00 0.00 C ATOM 597 CD GLN A 41 1.125 -5.645 4.275 1.00 0.00 C ATOM 598 OE1 GLN A 41 1.141 -4.787 5.159 1.00 0.00 O ATOM 599 NE2 GLN A 41 2.205 -5.970 3.574 1.00 0.00 N ATOM 0 H GLN A 41 -3.119 -4.053 5.156 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.200 -4.102 3.043 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.141 -5.187 5.401 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.142 -6.450 4.713 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.098 -7.398 4.338 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.233 -6.483 2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.147 -6.687 2.851 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.093 -5.503 3.759 1.00 0.00 H new ATOM 608 N ARG A 42 -2.586 -4.951 1.159 1.00 0.00 N ATOM 609 CA ARG A 42 -3.253 -5.560 0.015 1.00 0.00 C ATOM 610 C ARG A 42 -2.397 -6.670 -0.586 1.00 0.00 C ATOM 611 O ARG A 42 -2.802 -7.831 -0.617 1.00 0.00 O ATOM 612 CB ARG A 42 -3.556 -4.502 -1.049 1.00 0.00 C ATOM 613 CG ARG A 42 -4.258 -3.270 -0.500 1.00 0.00 C ATOM 614 CD ARG A 42 -5.761 -3.481 -0.407 1.00 0.00 C ATOM 615 NE ARG A 42 -6.392 -3.513 -1.724 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.633 -3.938 -1.934 1.00 0.00 C ATOM 617 NH1 ARG A 42 -8.372 -4.364 -0.919 1.00 0.00 N ATOM 618 NH2 ARG A 42 -8.137 -3.937 -3.161 1.00 0.00 N ATOM 0 H ARG A 42 -1.992 -4.155 0.926 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.190 -5.995 0.362 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.623 -4.197 -1.522 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.177 -4.948 -1.826 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.861 -3.033 0.487 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.049 -2.414 -1.142 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.964 -4.416 0.115 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.203 -2.681 0.187 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.850 -3.191 -2.526 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.988 -4.366 0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.325 -4.690 -1.083 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.572 -3.610 -3.944 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.090 -4.264 -3.321 1.00 0.00 H new ATOM 632 N GLU A 43 -1.211 -6.304 -1.063 1.00 0.00 N ATOM 633 CA GLU A 43 -0.299 -7.270 -1.665 1.00 0.00 C ATOM 634 C GLU A 43 0.908 -7.513 -0.762 1.00 0.00 C ATOM 635 O GLU A 43 1.008 -6.945 0.325 1.00 0.00 O ATOM 636 CB GLU A 43 0.168 -6.778 -3.037 1.00 0.00 C ATOM 637 CG GLU A 43 -0.923 -6.090 -3.839 1.00 0.00 C ATOM 638 CD GLU A 43 -1.818 -7.072 -4.570 1.00 0.00 C ATOM 639 OE1 GLU A 43 -1.891 -8.242 -4.141 1.00 0.00 O ATOM 640 OE2 GLU A 43 -2.446 -6.669 -5.572 1.00 0.00 O ATOM 0 H GLU A 43 -0.860 -5.347 -1.044 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.836 -8.211 -1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.999 -6.086 -2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.548 -7.625 -3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.530 -5.479 -3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.466 -5.414 -4.561 1.00 0.00 H new ATOM 647 N ARG A 44 1.821 -8.363 -1.222 1.00 0.00 N ATOM 648 CA ARG A 44 3.019 -8.683 -0.456 1.00 0.00 C ATOM 649 C ARG A 44 3.698 -7.413 0.048 1.00 0.00 C ATOM 650 O ARG A 44 3.900 -7.240 1.251 1.00 0.00 O ATOM 651 CB ARG A 44 3.996 -9.491 -1.313 1.00 0.00 C ATOM 652 CG ARG A 44 5.225 -9.964 -0.553 1.00 0.00 C ATOM 653 CD ARG A 44 6.154 -10.773 -1.445 1.00 0.00 C ATOM 654 NE ARG A 44 5.641 -12.118 -1.692 1.00 0.00 N ATOM 655 CZ ARG A 44 5.970 -12.847 -2.754 1.00 0.00 C ATOM 656 NH1 ARG A 44 6.807 -12.362 -3.661 1.00 0.00 N ATOM 657 NH2 ARG A 44 5.462 -14.062 -2.909 1.00 0.00 N ATOM 0 H ARG A 44 1.754 -8.842 -2.120 1.00 0.00 H new ATOM 0 HA ARG A 44 2.721 -9.281 0.405 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.476 -10.357 -1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.314 -8.881 -2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.761 -9.103 -0.153 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.917 -10.571 0.298 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.286 -10.255 -2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.137 -10.840 -0.979 1.00 0.00 H new ATOM 0 HE ARG A 44 4.995 -12.520 -1.013 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.200 -11.428 -3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.058 -12.923 -4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.818 -14.438 -2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.715 -14.620 -3.724 1.00 0.00 H new ATOM 671 N PHE A 45 4.049 -6.528 -0.878 1.00 0.00 N ATOM 672 CA PHE A 45 4.707 -5.274 -0.528 1.00 0.00 C ATOM 673 C PHE A 45 3.876 -4.078 -0.983 1.00 0.00 C ATOM 674 O PHE A 45 4.416 -3.026 -1.324 1.00 0.00 O ATOM 675 CB PHE A 45 6.100 -5.211 -1.158 1.00 0.00 C ATOM 676 CG PHE A 45 7.168 -5.851 -0.317 1.00 0.00 C ATOM 677 CD1 PHE A 45 7.463 -7.197 -0.457 1.00 0.00 C ATOM 678 CD2 PHE A 45 7.875 -5.106 0.612 1.00 0.00 C ATOM 679 CE1 PHE A 45 8.446 -7.789 0.315 1.00 0.00 C ATOM 680 CE2 PHE A 45 8.859 -5.692 1.386 1.00 0.00 C ATOM 681 CZ PHE A 45 9.143 -7.036 1.238 1.00 0.00 C ATOM 0 H PHE A 45 3.889 -6.655 -1.877 1.00 0.00 H new ATOM 0 HA PHE A 45 4.804 -5.234 0.557 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.072 -5.701 -2.131 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.364 -4.168 -1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.919 -7.791 -1.177 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.655 -4.056 0.733 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.668 -8.839 0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.405 -5.100 2.106 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.909 -7.497 1.844 1.00 0.00 H new ATOM 691 N LEU A 46 2.558 -4.248 -0.985 1.00 0.00 N ATOM 692 CA LEU A 46 1.650 -3.184 -1.398 1.00 0.00 C ATOM 693 C LEU A 46 0.700 -2.808 -0.266 1.00 0.00 C ATOM 694 O LEU A 46 0.485 -3.588 0.663 1.00 0.00 O ATOM 695 CB LEU A 46 0.850 -3.617 -2.628 1.00 0.00 C ATOM 696 CG LEU A 46 0.173 -2.497 -3.418 1.00 0.00 C ATOM 697 CD1 LEU A 46 -0.052 -2.922 -4.861 1.00 0.00 C ATOM 698 CD2 LEU A 46 -1.143 -2.103 -2.764 1.00 0.00 C ATOM 0 H LEU A 46 2.095 -5.113 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 46 2.248 -2.309 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.518 -4.155 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.084 -4.323 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 46 0.831 -1.628 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.535 -2.112 -5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.906 -3.153 -5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.689 -3.806 -4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.611 -1.305 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.808 -2.966 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.955 -1.755 -1.748 1.00 0.00 H new ATOM 710 N LEU A 47 0.133 -1.609 -0.350 1.00 0.00 N ATOM 711 CA LEU A 47 -0.797 -1.130 0.667 1.00 0.00 C ATOM 712 C LEU A 47 -1.785 -0.131 0.074 1.00 0.00 C ATOM 713 O LEU A 47 -1.507 0.503 -0.944 1.00 0.00 O ATOM 714 CB LEU A 47 -0.031 -0.483 1.823 1.00 0.00 C ATOM 715 CG LEU A 47 1.073 -1.332 2.455 1.00 0.00 C ATOM 716 CD1 LEU A 47 2.038 -0.456 3.238 1.00 0.00 C ATOM 717 CD2 LEU A 47 0.473 -2.404 3.353 1.00 0.00 C ATOM 0 H LEU A 47 0.301 -0.951 -1.111 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.357 -1.986 1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.413 0.445 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.746 -0.215 2.601 1.00 0.00 H new ATOM 0 HG LEU A 47 1.628 -1.824 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.816 -1.078 3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.493 0.273 2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.497 0.065 4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.273 -2.999 3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.108 -1.932 4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.177 -3.051 2.763 1.00 0.00 H new ATOM 729 N PHE A 48 -2.938 0.007 0.719 1.00 0.00 N ATOM 730 CA PHE A 48 -3.967 0.931 0.257 1.00 0.00 C ATOM 731 C PHE A 48 -3.944 2.222 1.070 1.00 0.00 C ATOM 732 O PHE A 48 -4.491 2.285 2.171 1.00 0.00 O ATOM 733 CB PHE A 48 -5.348 0.279 0.353 1.00 0.00 C ATOM 734 CG PHE A 48 -6.373 0.910 -0.546 1.00 0.00 C ATOM 735 CD1 PHE A 48 -6.225 0.868 -1.923 1.00 0.00 C ATOM 736 CD2 PHE A 48 -7.483 1.545 -0.014 1.00 0.00 C ATOM 737 CE1 PHE A 48 -7.166 1.449 -2.752 1.00 0.00 C ATOM 738 CE2 PHE A 48 -8.428 2.127 -0.838 1.00 0.00 C ATOM 739 CZ PHE A 48 -8.270 2.078 -2.209 1.00 0.00 C ATOM 0 H PHE A 48 -3.184 -0.509 1.564 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.759 1.175 -0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.260 -0.778 0.104 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.697 0.336 1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.365 0.376 -2.353 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.612 1.586 1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.038 1.411 -3.824 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -9.289 2.619 -0.410 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.008 2.530 -2.855 1.00 0.00 H new ATOM 749 N CYS A 49 -3.307 3.250 0.519 1.00 0.00 N ATOM 750 CA CYS A 49 -3.211 4.540 1.192 1.00 0.00 C ATOM 751 C CYS A 49 -4.544 5.280 1.143 1.00 0.00 C ATOM 752 O CYS A 49 -5.138 5.441 0.077 1.00 0.00 O ATOM 753 CB CYS A 49 -2.116 5.393 0.550 1.00 0.00 C ATOM 754 SG CYS A 49 -0.500 4.586 0.475 1.00 0.00 S ATOM 0 H CYS A 49 -2.850 3.215 -0.392 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.955 4.359 2.236 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.424 5.660 -0.461 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.020 6.323 1.110 1.00 0.00 H new ATOM 0 HG CYS A 49 0.426 5.484 0.313 1.00 0.00 H new ATOM 760 N VAL A 50 -5.010 5.727 2.305 1.00 0.00 N ATOM 761 CA VAL A 50 -6.273 6.449 2.395 1.00 0.00 C ATOM 762 C VAL A 50 -6.124 7.715 3.231 1.00 0.00 C ATOM 763 O VAL A 50 -5.528 7.694 4.308 1.00 0.00 O ATOM 764 CB VAL A 50 -7.380 5.570 3.006 1.00 0.00 C ATOM 765 CG1 VAL A 50 -8.664 6.369 3.176 1.00 0.00 C ATOM 766 CG2 VAL A 50 -7.619 4.339 2.145 1.00 0.00 C ATOM 0 H VAL A 50 -4.531 5.602 3.197 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.556 6.720 1.378 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.053 5.238 3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.435 5.731 3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.481 7.216 3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.998 6.733 2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.404 3.729 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.924 4.648 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.700 3.756 2.080 1.00 0.00 H new ATOM 776 N HIS A 51 -6.671 8.818 2.729 1.00 0.00 N ATOM 777 CA HIS A 51 -6.600 10.094 3.431 1.00 0.00 C ATOM 778 C HIS A 51 -7.897 10.880 3.262 1.00 0.00 C ATOM 779 O HIS A 51 -8.565 10.782 2.233 1.00 0.00 O ATOM 780 CB HIS A 51 -5.420 10.919 2.916 1.00 0.00 C ATOM 781 CG HIS A 51 -5.091 12.098 3.779 1.00 0.00 C ATOM 782 ND1 HIS A 51 -4.883 12.188 5.113 1.00 0.00 N flip ATOM 783 CD2 HIS A 51 -4.943 13.376 3.282 1.00 0.00 C flip ATOM 784 CE1 HIS A 51 -4.615 13.505 5.396 1.00 0.00 C flip ATOM 785 NE2 HIS A 51 -4.657 14.201 4.274 1.00 0.00 N flip ATOM 0 H HIS A 51 -7.168 8.853 1.839 1.00 0.00 H new ATOM 0 HA HIS A 51 -6.455 9.889 4.492 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.543 10.276 2.843 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.644 11.268 1.908 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.045 13.658 2.245 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.404 13.906 6.376 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.496 15.205 4.188 1.00 0.00 H new ATOM 794 N GLY A 52 -8.248 11.660 4.280 1.00 0.00 N ATOM 795 CA GLY A 52 -9.464 12.450 4.224 1.00 0.00 C ATOM 796 C GLY A 52 -9.336 13.765 4.968 1.00 0.00 C ATOM 797 O GLY A 52 -10.020 13.990 5.967 1.00 0.00 O ATOM 0 H GLY A 52 -7.712 11.759 5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.717 12.648 3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.287 11.875 4.648 1.00 0.00 H new ATOM 801 N ASP A 53 -8.457 14.634 4.482 1.00 0.00 N ATOM 802 CA ASP A 53 -8.241 15.933 5.108 1.00 0.00 C ATOM 803 C ASP A 53 -9.269 16.949 4.620 1.00 0.00 C ATOM 804 O ASP A 53 -8.918 18.049 4.195 1.00 0.00 O ATOM 805 CB ASP A 53 -6.828 16.437 4.811 1.00 0.00 C ATOM 806 CG ASP A 53 -6.610 17.861 5.283 1.00 0.00 C ATOM 807 OD1 ASP A 53 -7.055 18.190 6.403 1.00 0.00 O ATOM 808 OD2 ASP A 53 -5.993 18.647 4.533 1.00 0.00 O ATOM 0 H ASP A 53 -7.883 14.463 3.657 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.357 15.814 6.185 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.103 15.782 5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.643 16.381 3.738 1.00 0.00 H new ATOM 813 N GLY A 54 -10.543 16.572 4.684 1.00 0.00 N ATOM 814 CA GLY A 54 -11.603 17.461 4.245 1.00 0.00 C ATOM 815 C GLY A 54 -12.960 16.786 4.240 1.00 0.00 C ATOM 816 O GLY A 54 -13.380 16.212 5.245 1.00 0.00 O ATOM 0 H GLY A 54 -10.860 15.667 5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.636 18.332 4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.377 17.823 3.242 1.00 0.00 H new ATOM 820 N HIS A 55 -13.650 16.856 3.106 1.00 0.00 N ATOM 821 CA HIS A 55 -14.969 16.248 2.974 1.00 0.00 C ATOM 822 C HIS A 55 -14.854 14.792 2.532 1.00 0.00 C ATOM 823 O HIS A 55 -13.827 14.375 1.998 1.00 0.00 O ATOM 824 CB HIS A 55 -15.818 17.032 1.973 1.00 0.00 C ATOM 825 CG HIS A 55 -15.804 18.512 2.206 1.00 0.00 C ATOM 826 ND1 HIS A 55 -16.749 19.163 2.970 1.00 0.00 N ATOM 827 CD2 HIS A 55 -14.950 19.468 1.770 1.00 0.00 C ATOM 828 CE1 HIS A 55 -16.478 20.456 2.993 1.00 0.00 C ATOM 829 NE2 HIS A 55 -15.391 20.667 2.273 1.00 0.00 N ATOM 0 H HIS A 55 -13.317 17.328 2.265 1.00 0.00 H new ATOM 0 HA HIS A 55 -15.454 16.276 3.950 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -15.458 16.828 0.965 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -16.846 16.674 2.023 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -14.084 19.316 1.143 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -17.048 21.212 3.512 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -14.951 21.574 2.116 1.00 0.00 H new ATOM 838 N ALA A 56 -15.915 14.025 2.759 1.00 0.00 N ATOM 839 CA ALA A 56 -15.934 12.617 2.382 1.00 0.00 C ATOM 840 C ALA A 56 -16.177 12.452 0.886 1.00 0.00 C ATOM 841 O ALA A 56 -16.193 11.335 0.370 1.00 0.00 O ATOM 842 CB ALA A 56 -16.997 11.872 3.176 1.00 0.00 C ATOM 0 H ALA A 56 -16.773 14.355 3.202 1.00 0.00 H new ATOM 0 HA ALA A 56 -14.958 12.192 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.000 10.822 2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.779 11.952 4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -17.975 12.308 2.973 1.00 0.00 H new ATOM 848 N GLU A 57 -16.366 13.572 0.194 1.00 0.00 N ATOM 849 CA GLU A 57 -16.609 13.549 -1.243 1.00 0.00 C ATOM 850 C GLU A 57 -15.336 13.883 -2.016 1.00 0.00 C ATOM 851 O GLU A 57 -15.305 13.807 -3.243 1.00 0.00 O ATOM 852 CB GLU A 57 -17.717 14.539 -1.611 1.00 0.00 C ATOM 853 CG GLU A 57 -17.339 15.991 -1.372 1.00 0.00 C ATOM 854 CD GLU A 57 -18.056 16.942 -2.311 1.00 0.00 C ATOM 855 OE1 GLU A 57 -17.982 16.732 -3.539 1.00 0.00 O ATOM 856 OE2 GLU A 57 -18.691 17.897 -1.816 1.00 0.00 O ATOM 0 H GLU A 57 -16.355 14.505 0.606 1.00 0.00 H new ATOM 0 HA GLU A 57 -16.925 12.542 -1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.976 14.408 -2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -18.610 14.304 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -17.573 16.259 -0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.262 16.107 -1.495 1.00 0.00 H new ATOM 863 N ASN A 58 -14.289 14.254 -1.287 1.00 0.00 N ATOM 864 CA ASN A 58 -13.013 14.601 -1.903 1.00 0.00 C ATOM 865 C ASN A 58 -11.903 13.675 -1.414 1.00 0.00 C ATOM 866 O ASN A 58 -10.718 13.971 -1.572 1.00 0.00 O ATOM 867 CB ASN A 58 -12.652 16.055 -1.593 1.00 0.00 C ATOM 868 CG ASN A 58 -11.844 16.191 -0.318 1.00 0.00 C ATOM 869 OD1 ASN A 58 -12.521 16.125 0.822 1.00 0.00 O flip ATOM 870 ND2 ASN A 58 -10.624 16.354 -0.357 1.00 0.00 N flip ATOM 0 H ASN A 58 -14.299 14.322 -0.269 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.114 14.480 -2.982 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.085 16.471 -2.426 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.566 16.643 -1.505 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.144 16.399 -1.256 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.094 16.444 0.510 1.00 0.00 H new ATOM 877 N LEU A 59 -12.295 12.553 -0.820 1.00 0.00 N ATOM 878 CA LEU A 59 -11.334 11.582 -0.308 1.00 0.00 C ATOM 879 C LEU A 59 -10.456 11.041 -1.432 1.00 0.00 C ATOM 880 O LEU A 59 -10.878 10.974 -2.587 1.00 0.00 O ATOM 881 CB LEU A 59 -12.063 10.430 0.385 1.00 0.00 C ATOM 882 CG LEU A 59 -11.243 9.629 1.397 1.00 0.00 C ATOM 883 CD1 LEU A 59 -12.155 8.785 2.274 1.00 0.00 C ATOM 884 CD2 LEU A 59 -10.223 8.753 0.685 1.00 0.00 C ATOM 0 H LEU A 59 -13.272 12.293 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.695 12.087 0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.938 10.834 0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.428 9.745 -0.380 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.705 10.330 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -11.554 8.222 2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.845 9.435 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -12.721 8.093 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.649 8.191 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -10.739 8.060 0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.549 9.380 0.102 1.00 0.00 H new ATOM 896 N VAL A 60 -9.233 10.652 -1.086 1.00 0.00 N ATOM 897 CA VAL A 60 -8.296 10.113 -2.065 1.00 0.00 C ATOM 898 C VAL A 60 -7.813 8.726 -1.656 1.00 0.00 C ATOM 899 O VAL A 60 -7.436 8.504 -0.506 1.00 0.00 O ATOM 900 CB VAL A 60 -7.077 11.037 -2.244 1.00 0.00 C ATOM 901 CG1 VAL A 60 -5.984 10.333 -3.031 1.00 0.00 C ATOM 902 CG2 VAL A 60 -7.488 12.333 -2.928 1.00 0.00 C ATOM 0 H VAL A 60 -8.868 10.700 -0.135 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.832 10.044 -3.012 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.681 11.282 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.131 11.002 -3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.671 9.436 -2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.364 10.056 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.615 12.975 -3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.910 12.109 -3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.234 12.845 -2.320 1.00 0.00 H new ATOM 912 N GLN A 61 -7.826 7.797 -2.606 1.00 0.00 N ATOM 913 CA GLN A 61 -7.389 6.431 -2.345 1.00 0.00 C ATOM 914 C GLN A 61 -6.386 5.969 -3.397 1.00 0.00 C ATOM 915 O GLN A 61 -6.672 5.996 -4.594 1.00 0.00 O ATOM 916 CB GLN A 61 -8.590 5.484 -2.318 1.00 0.00 C ATOM 917 CG GLN A 61 -9.384 5.545 -1.023 1.00 0.00 C ATOM 918 CD GLN A 61 -10.828 5.120 -1.203 1.00 0.00 C ATOM 919 OE1 GLN A 61 -11.197 4.557 -2.234 1.00 0.00 O ATOM 920 NE2 GLN A 61 -11.653 5.387 -0.198 1.00 0.00 N ATOM 0 H GLN A 61 -8.134 7.965 -3.564 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.900 6.414 -1.371 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.251 5.724 -3.151 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.241 4.463 -2.473 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.910 4.903 -0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.355 6.562 -0.631 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -11.304 5.855 0.638 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.636 5.124 -0.262 1.00 0.00 H new ATOM 929 N TRP A 62 -5.212 5.547 -2.943 1.00 0.00 N ATOM 930 CA TRP A 62 -4.166 5.080 -3.846 1.00 0.00 C ATOM 931 C TRP A 62 -3.317 4.001 -3.184 1.00 0.00 C ATOM 932 O TRP A 62 -3.394 3.794 -1.974 1.00 0.00 O ATOM 933 CB TRP A 62 -3.280 6.248 -4.281 1.00 0.00 C ATOM 934 CG TRP A 62 -2.446 6.808 -3.169 1.00 0.00 C ATOM 935 CD1 TRP A 62 -1.088 6.743 -3.050 1.00 0.00 C ATOM 936 CD2 TRP A 62 -2.918 7.516 -2.017 1.00 0.00 C ATOM 937 NE1 TRP A 62 -0.686 7.368 -1.894 1.00 0.00 N ATOM 938 CE2 TRP A 62 -1.790 7.851 -1.243 1.00 0.00 C ATOM 939 CE3 TRP A 62 -4.184 7.901 -1.566 1.00 0.00 C ATOM 940 CZ2 TRP A 62 -1.892 8.552 -0.044 1.00 0.00 C ATOM 941 CZ3 TRP A 62 -4.283 8.596 -0.375 1.00 0.00 C ATOM 942 CH2 TRP A 62 -3.143 8.916 0.374 1.00 0.00 C ATOM 0 H TRP A 62 -4.960 5.518 -1.955 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.645 4.650 -4.725 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.624 5.917 -5.086 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.909 7.040 -4.688 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.426 6.270 -3.760 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.278 7.458 -1.573 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -5.068 7.660 -2.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.015 8.800 0.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.256 8.897 -0.016 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.254 9.461 1.300 1.00 0.00 H new ATOM 953 N GLU A 63 -2.507 3.315 -3.986 1.00 0.00 N ATOM 954 CA GLU A 63 -1.644 2.257 -3.475 1.00 0.00 C ATOM 955 C GLU A 63 -0.177 2.674 -3.536 1.00 0.00 C ATOM 956 O GLU A 63 0.213 3.487 -4.373 1.00 0.00 O ATOM 957 CB GLU A 63 -1.853 0.968 -4.274 1.00 0.00 C ATOM 958 CG GLU A 63 -3.200 0.310 -4.025 1.00 0.00 C ATOM 959 CD GLU A 63 -3.433 -0.896 -4.914 1.00 0.00 C ATOM 960 OE1 GLU A 63 -2.916 -0.904 -6.051 1.00 0.00 O ATOM 961 OE2 GLU A 63 -4.131 -1.832 -4.472 1.00 0.00 O ATOM 0 H GLU A 63 -2.431 3.473 -4.991 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.910 2.078 -2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.757 1.190 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.061 0.262 -4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.263 0.005 -2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.993 1.039 -4.193 1.00 0.00 H new ATOM 968 N MET A 64 0.630 2.110 -2.643 1.00 0.00 N ATOM 969 CA MET A 64 2.053 2.423 -2.596 1.00 0.00 C ATOM 970 C MET A 64 2.884 1.152 -2.446 1.00 0.00 C ATOM 971 O MET A 64 3.106 0.673 -1.335 1.00 0.00 O ATOM 972 CB MET A 64 2.349 3.379 -1.438 1.00 0.00 C ATOM 973 CG MET A 64 1.908 4.809 -1.703 1.00 0.00 C ATOM 974 SD MET A 64 2.295 5.919 -0.336 1.00 0.00 S ATOM 975 CE MET A 64 4.055 5.638 -0.159 1.00 0.00 C ATOM 0 H MET A 64 0.323 1.435 -1.943 1.00 0.00 H new ATOM 0 HA MET A 64 2.325 2.906 -3.535 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.850 3.014 -0.540 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.420 3.369 -1.234 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.392 5.172 -2.609 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.834 4.826 -1.887 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.481 6.399 0.495 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.224 4.652 0.273 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.532 5.692 -1.137 1.00 0.00 H new ATOM 985 N GLU A 65 3.339 0.612 -3.573 1.00 0.00 N ATOM 986 CA GLU A 65 4.144 -0.603 -3.565 1.00 0.00 C ATOM 987 C GLU A 65 5.630 -0.272 -3.667 1.00 0.00 C ATOM 988 O GLU A 65 6.014 0.731 -4.268 1.00 0.00 O ATOM 989 CB GLU A 65 3.734 -1.520 -4.720 1.00 0.00 C ATOM 990 CG GLU A 65 4.637 -2.731 -4.886 1.00 0.00 C ATOM 991 CD GLU A 65 4.133 -3.694 -5.943 1.00 0.00 C ATOM 992 OE1 GLU A 65 3.116 -3.378 -6.596 1.00 0.00 O ATOM 993 OE2 GLU A 65 4.755 -4.762 -6.118 1.00 0.00 O ATOM 0 H GLU A 65 3.164 0.997 -4.501 1.00 0.00 H new ATOM 0 HA GLU A 65 3.968 -1.119 -2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.711 -1.860 -4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.736 -0.946 -5.647 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.640 -2.398 -5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.717 -3.253 -3.933 1.00 0.00 H new ATOM 1000 N VAL A 66 6.462 -1.124 -3.076 1.00 0.00 N ATOM 1001 CA VAL A 66 7.906 -0.923 -3.100 1.00 0.00 C ATOM 1002 C VAL A 66 8.568 -1.819 -4.141 1.00 0.00 C ATOM 1003 O VAL A 66 8.138 -2.951 -4.364 1.00 0.00 O ATOM 1004 CB VAL A 66 8.535 -1.205 -1.722 1.00 0.00 C ATOM 1005 CG1 VAL A 66 10.037 -0.970 -1.763 1.00 0.00 C ATOM 1006 CG2 VAL A 66 7.881 -0.343 -0.653 1.00 0.00 C ATOM 0 H VAL A 66 6.161 -1.960 -2.575 1.00 0.00 H new ATOM 0 HA VAL A 66 8.076 0.121 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 66 8.362 -2.251 -1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.464 -1.174 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.489 -1.633 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.236 0.066 -2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.337 -0.555 0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.022 0.710 -0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.815 -0.566 -0.608 1.00 0.00 H new ATOM 1016 N CYS A 67 9.616 -1.305 -4.775 1.00 0.00 N ATOM 1017 CA CYS A 67 10.338 -2.058 -5.794 1.00 0.00 C ATOM 1018 C CYS A 67 11.578 -1.299 -6.255 1.00 0.00 C ATOM 1019 O CYS A 67 11.744 -0.117 -5.951 1.00 0.00 O ATOM 1020 CB CYS A 67 9.427 -2.345 -6.988 1.00 0.00 C ATOM 1021 SG CYS A 67 10.002 -3.691 -8.050 1.00 0.00 S ATOM 0 H CYS A 67 9.985 -0.370 -4.601 1.00 0.00 H new ATOM 0 HA CYS A 67 10.656 -3.003 -5.354 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.430 -2.587 -6.620 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.334 -1.439 -7.587 1.00 0.00 H new ATOM 0 HG CYS A 67 9.164 -3.859 -9.030 1.00 0.00 H new ATOM 1027 N LYS A 68 12.446 -1.985 -6.990 1.00 0.00 N ATOM 1028 CA LYS A 68 13.672 -1.376 -7.494 1.00 0.00 C ATOM 1029 C LYS A 68 13.418 -0.653 -8.813 1.00 0.00 C ATOM 1030 O LYS A 68 12.483 -0.983 -9.544 1.00 0.00 O ATOM 1031 CB LYS A 68 14.754 -2.442 -7.685 1.00 0.00 C ATOM 1032 CG LYS A 68 14.412 -3.472 -8.747 1.00 0.00 C ATOM 1033 CD LYS A 68 15.458 -4.572 -8.815 1.00 0.00 C ATOM 1034 CE LYS A 68 15.103 -5.615 -9.863 1.00 0.00 C ATOM 1035 NZ LYS A 68 15.273 -5.091 -11.247 1.00 0.00 N ATOM 0 H LYS A 68 12.324 -2.964 -7.250 1.00 0.00 H new ATOM 0 HA LYS A 68 14.014 -0.647 -6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.691 -1.953 -7.953 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.921 -2.952 -6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.437 -3.909 -8.531 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.334 -2.983 -9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.430 -4.137 -9.048 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.548 -5.051 -7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.732 -6.495 -9.728 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.071 -5.936 -9.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.087 -5.852 -11.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.605 -4.310 -11.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.246 -4.745 -11.370 1.00 0.00 H new ATOM 1049 N LEU A 69 14.255 0.334 -9.112 1.00 0.00 N ATOM 1050 CA LEU A 69 14.122 1.104 -10.344 1.00 0.00 C ATOM 1051 C LEU A 69 14.960 0.492 -11.461 1.00 0.00 C ATOM 1052 O LEU A 69 16.054 -0.026 -11.238 1.00 0.00 O ATOM 1053 CB LEU A 69 14.544 2.555 -10.110 1.00 0.00 C ATOM 1054 CG LEU A 69 13.530 3.442 -9.386 1.00 0.00 C ATOM 1055 CD1 LEU A 69 13.484 3.100 -7.905 1.00 0.00 C ATOM 1056 CD2 LEU A 69 13.868 4.912 -9.587 1.00 0.00 C ATOM 0 H LEU A 69 15.033 0.620 -8.518 1.00 0.00 H new ATOM 0 HA LEU A 69 13.075 1.081 -10.646 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.471 2.555 -9.536 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.767 3.007 -11.076 1.00 0.00 H new ATOM 0 HG LEU A 69 12.544 3.256 -9.811 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.757 3.741 -7.406 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.193 2.057 -7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.469 3.257 -7.465 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.136 5.528 -9.065 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.862 5.114 -9.189 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.848 5.148 -10.651 1.00 0.00 H new ATOM 1068 N PRO A 70 14.438 0.554 -12.695 1.00 0.00 N ATOM 1069 CA PRO A 70 15.123 0.013 -13.873 1.00 0.00 C ATOM 1070 C PRO A 70 16.357 0.825 -14.249 1.00 0.00 C ATOM 1071 O PRO A 70 17.407 0.265 -14.565 1.00 0.00 O ATOM 1072 CB PRO A 70 14.064 0.109 -14.974 1.00 0.00 C ATOM 1073 CG PRO A 70 13.162 1.211 -14.538 1.00 0.00 C ATOM 1074 CD PRO A 70 13.138 1.157 -13.036 1.00 0.00 C ATOM 0 HA PRO A 70 15.490 -0.999 -13.702 1.00 0.00 H new ATOM 0 HB2 PRO A 70 14.517 0.328 -15.941 1.00 0.00 H new ATOM 0 HB3 PRO A 70 13.519 -0.829 -15.082 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.528 2.176 -14.888 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.161 1.082 -14.949 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.029 2.150 -12.600 1.00 0.00 H new ATOM 0 HD3 PRO A 70 12.307 0.555 -12.669 1.00 0.00 H new ATOM 1082 N ARG A 71 16.224 2.147 -14.213 1.00 0.00 N ATOM 1083 CA ARG A 71 17.330 3.035 -14.551 1.00 0.00 C ATOM 1084 C ARG A 71 18.271 3.208 -13.363 1.00 0.00 C ATOM 1085 O ARG A 71 19.493 3.193 -13.517 1.00 0.00 O ATOM 1086 CB ARG A 71 16.798 4.399 -14.997 1.00 0.00 C ATOM 1087 CG ARG A 71 16.211 4.395 -16.399 1.00 0.00 C ATOM 1088 CD ARG A 71 17.300 4.335 -17.458 1.00 0.00 C ATOM 1089 NE ARG A 71 17.687 2.962 -17.769 1.00 0.00 N ATOM 1090 CZ ARG A 71 18.768 2.644 -18.473 1.00 0.00 C ATOM 1091 NH1 ARG A 71 19.565 3.596 -18.936 1.00 0.00 N ATOM 1092 NH2 ARG A 71 19.053 1.370 -18.714 1.00 0.00 N ATOM 0 H ARG A 71 15.362 2.626 -13.953 1.00 0.00 H new ATOM 0 HA ARG A 71 17.888 2.584 -15.371 1.00 0.00 H new ATOM 0 HB2 ARG A 71 16.034 4.729 -14.293 1.00 0.00 H new ATOM 0 HB3 ARG A 71 17.608 5.127 -14.953 1.00 0.00 H new ATOM 0 HG2 ARG A 71 15.544 3.541 -16.513 1.00 0.00 H new ATOM 0 HG3 ARG A 71 15.609 5.292 -16.545 1.00 0.00 H new ATOM 0 HD2 ARG A 71 16.950 4.827 -18.365 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.173 4.888 -17.112 1.00 0.00 H new ATOM 0 HE ARG A 71 17.095 2.205 -17.427 1.00 0.00 H new ATOM 0 HH11 ARG A 71 19.349 4.576 -18.752 1.00 0.00 H new ATOM 0 HH12 ARG A 71 20.394 3.349 -19.476 1.00 0.00 H new ATOM 0 HH21 ARG A 71 18.442 0.635 -18.359 1.00 0.00 H new ATOM 0 HH22 ARG A 71 19.883 1.127 -19.255 1.00 0.00 H new ATOM 1106 N LEU A 72 17.695 3.374 -12.177 1.00 0.00 N ATOM 1107 CA LEU A 72 18.482 3.550 -10.962 1.00 0.00 C ATOM 1108 C LEU A 72 18.499 2.269 -10.134 1.00 0.00 C ATOM 1109 O LEU A 72 17.499 1.557 -10.053 1.00 0.00 O ATOM 1110 CB LEU A 72 17.918 4.702 -10.128 1.00 0.00 C ATOM 1111 CG LEU A 72 17.864 6.066 -10.818 1.00 0.00 C ATOM 1112 CD1 LEU A 72 16.587 6.203 -11.632 1.00 0.00 C ATOM 1113 CD2 LEU A 72 17.968 7.186 -9.793 1.00 0.00 C ATOM 0 H LEU A 72 16.686 3.390 -12.031 1.00 0.00 H new ATOM 0 HA LEU A 72 19.506 3.787 -11.253 1.00 0.00 H new ATOM 0 HB2 LEU A 72 16.909 4.436 -9.813 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.519 4.798 -9.224 1.00 0.00 H new ATOM 0 HG LEU A 72 18.713 6.142 -11.498 1.00 0.00 H new ATOM 0 HD11 LEU A 72 16.567 7.180 -12.115 1.00 0.00 H new ATOM 0 HD12 LEU A 72 16.554 5.422 -12.391 1.00 0.00 H new ATOM 0 HD13 LEU A 72 15.724 6.106 -10.974 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.928 8.149 -10.301 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.139 7.113 -9.089 1.00 0.00 H new ATOM 0 HD23 LEU A 72 18.911 7.099 -9.254 1.00 0.00 H new ATOM 1125 N SER A 73 19.642 1.985 -9.518 1.00 0.00 N ATOM 1126 CA SER A 73 19.791 0.789 -8.697 1.00 0.00 C ATOM 1127 C SER A 73 19.294 1.040 -7.276 1.00 0.00 C ATOM 1128 O SER A 73 19.946 0.663 -6.302 1.00 0.00 O ATOM 1129 CB SER A 73 21.254 0.344 -8.666 1.00 0.00 C ATOM 1130 OG SER A 73 21.578 -0.426 -9.810 1.00 0.00 O ATOM 0 H SER A 73 20.478 2.567 -9.572 1.00 0.00 H new ATOM 0 HA SER A 73 19.187 -0.003 -9.140 1.00 0.00 H new ATOM 0 HB2 SER A 73 21.902 1.219 -8.617 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.440 -0.241 -7.765 1.00 0.00 H new ATOM 0 HG SER A 73 22.519 -0.696 -9.767 1.00 0.00 H new ATOM 1136 N LEU A 74 18.135 1.680 -7.166 1.00 0.00 N ATOM 1137 CA LEU A 74 17.548 1.983 -5.866 1.00 0.00 C ATOM 1138 C LEU A 74 16.103 1.502 -5.795 1.00 0.00 C ATOM 1139 O LEU A 74 15.601 0.875 -6.726 1.00 0.00 O ATOM 1140 CB LEU A 74 17.612 3.487 -5.593 1.00 0.00 C ATOM 1141 CG LEU A 74 18.966 4.156 -5.832 1.00 0.00 C ATOM 1142 CD1 LEU A 74 18.779 5.606 -6.248 1.00 0.00 C ATOM 1143 CD2 LEU A 74 19.833 4.064 -4.585 1.00 0.00 C ATOM 0 H LEU A 74 17.583 1.999 -7.962 1.00 0.00 H new ATOM 0 HA LEU A 74 18.124 1.457 -5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 74 16.869 3.981 -6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.321 3.660 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 74 19.472 3.630 -6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 74 19.753 6.066 -6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 74 18.197 5.648 -7.168 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.253 6.145 -5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.793 4.545 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 74 19.332 4.564 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 74 19.996 3.016 -4.331 1.00 0.00 H new ATOM 1155 N ASN A 75 15.438 1.803 -4.684 1.00 0.00 N ATOM 1156 CA ASN A 75 14.049 1.403 -4.492 1.00 0.00 C ATOM 1157 C ASN A 75 13.162 2.619 -4.243 1.00 0.00 C ATOM 1158 O ASN A 75 13.454 3.448 -3.383 1.00 0.00 O ATOM 1159 CB ASN A 75 13.934 0.426 -3.320 1.00 0.00 C ATOM 1160 CG ASN A 75 14.673 -0.873 -3.577 1.00 0.00 C ATOM 1161 OD1 ASN A 75 15.811 -0.871 -4.048 1.00 0.00 O ATOM 1162 ND2 ASN A 75 14.028 -1.992 -3.266 1.00 0.00 N ATOM 0 H ASN A 75 15.839 2.323 -3.903 1.00 0.00 H new ATOM 0 HA ASN A 75 13.711 0.909 -5.403 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.331 0.895 -2.419 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.882 0.211 -3.131 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.475 -2.897 -3.415 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.086 -1.947 -2.878 1.00 0.00 H new ATOM 1169 N GLY A 76 12.075 2.718 -5.003 1.00 0.00 N ATOM 1170 CA GLY A 76 11.162 3.835 -4.850 1.00 0.00 C ATOM 1171 C GLY A 76 9.714 3.394 -4.769 1.00 0.00 C ATOM 1172 O GLY A 76 9.348 2.341 -5.292 1.00 0.00 O ATOM 0 H GLY A 76 11.811 2.044 -5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.420 4.390 -3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.284 4.518 -5.691 1.00 0.00 H new ATOM 1176 N VAL A 77 8.887 4.199 -4.110 1.00 0.00 N ATOM 1177 CA VAL A 77 7.471 3.886 -3.961 1.00 0.00 C ATOM 1178 C VAL A 77 6.662 4.427 -5.135 1.00 0.00 C ATOM 1179 O VAL A 77 6.738 5.612 -5.460 1.00 0.00 O ATOM 1180 CB VAL A 77 6.903 4.463 -2.651 1.00 0.00 C ATOM 1181 CG1 VAL A 77 5.625 3.737 -2.258 1.00 0.00 C ATOM 1182 CG2 VAL A 77 7.938 4.378 -1.539 1.00 0.00 C ATOM 0 H VAL A 77 9.174 5.074 -3.670 1.00 0.00 H new ATOM 0 HA VAL A 77 7.388 2.799 -3.936 1.00 0.00 H new ATOM 0 HB VAL A 77 6.661 5.514 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.238 4.158 -1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.882 3.854 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.838 2.678 -2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.520 4.790 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.213 3.336 -1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.824 4.947 -1.822 1.00 0.00 H new ATOM 1192 N ARG A 78 5.888 3.551 -5.766 1.00 0.00 N ATOM 1193 CA ARG A 78 5.065 3.941 -6.905 1.00 0.00 C ATOM 1194 C ARG A 78 3.629 4.219 -6.468 1.00 0.00 C ATOM 1195 O ARG A 78 2.937 3.330 -5.972 1.00 0.00 O ATOM 1196 CB ARG A 78 5.081 2.845 -7.972 1.00 0.00 C ATOM 1197 CG ARG A 78 5.159 1.439 -7.400 1.00 0.00 C ATOM 1198 CD ARG A 78 6.600 0.982 -7.239 1.00 0.00 C ATOM 1199 NE ARG A 78 6.734 -0.465 -7.382 1.00 0.00 N ATOM 1200 CZ ARG A 78 6.700 -1.094 -8.552 1.00 0.00 C ATOM 1201 NH1 ARG A 78 6.537 -0.406 -9.674 1.00 0.00 N ATOM 1202 NH2 ARG A 78 6.830 -2.414 -8.601 1.00 0.00 N ATOM 0 H ARG A 78 5.813 2.567 -5.508 1.00 0.00 H new ATOM 0 HA ARG A 78 5.482 4.855 -7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.182 2.931 -8.582 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.932 3.007 -8.634 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.657 1.410 -6.433 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.628 0.748 -8.055 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.223 1.479 -7.982 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.969 1.285 -6.259 1.00 0.00 H new ATOM 0 HE ARG A 78 6.861 -1.023 -6.538 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.437 0.609 -9.640 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.511 -0.891 -10.571 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.956 -2.946 -7.740 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.804 -2.896 -9.500 1.00 0.00 H new ATOM 1216 N PHE A 79 3.189 5.459 -6.656 1.00 0.00 N ATOM 1217 CA PHE A 79 1.836 5.855 -6.280 1.00 0.00 C ATOM 1218 C PHE A 79 0.858 5.600 -7.423 1.00 0.00 C ATOM 1219 O PHE A 79 0.861 6.310 -8.429 1.00 0.00 O ATOM 1220 CB PHE A 79 1.806 7.333 -5.888 1.00 0.00 C ATOM 1221 CG PHE A 79 2.512 7.625 -4.595 1.00 0.00 C ATOM 1222 CD1 PHE A 79 3.839 7.266 -4.418 1.00 0.00 C ATOM 1223 CD2 PHE A 79 1.849 8.258 -3.556 1.00 0.00 C ATOM 1224 CE1 PHE A 79 4.490 7.533 -3.229 1.00 0.00 C ATOM 1225 CE2 PHE A 79 2.496 8.528 -2.364 1.00 0.00 C ATOM 1226 CZ PHE A 79 3.819 8.166 -2.201 1.00 0.00 C ATOM 0 H PHE A 79 3.749 6.207 -7.066 1.00 0.00 H new ATOM 0 HA PHE A 79 1.532 5.253 -5.424 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.264 7.921 -6.683 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.769 7.658 -5.808 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.370 6.772 -5.218 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.815 8.544 -3.678 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.524 7.247 -3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 79 1.968 9.021 -1.562 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.328 8.377 -1.272 1.00 0.00 H new ATOM 1236 N LYS A 80 0.021 4.580 -7.261 1.00 0.00 N ATOM 1237 CA LYS A 80 -0.964 4.229 -8.277 1.00 0.00 C ATOM 1238 C LYS A 80 -2.296 4.922 -8.005 1.00 0.00 C ATOM 1239 O LYS A 80 -2.886 4.756 -6.938 1.00 0.00 O ATOM 1240 CB LYS A 80 -1.166 2.713 -8.320 1.00 0.00 C ATOM 1241 CG LYS A 80 -2.141 2.259 -9.392 1.00 0.00 C ATOM 1242 CD LYS A 80 -2.388 0.761 -9.323 1.00 0.00 C ATOM 1243 CE LYS A 80 -3.119 0.260 -10.558 1.00 0.00 C ATOM 1244 NZ LYS A 80 -4.522 0.757 -10.613 1.00 0.00 N ATOM 0 H LYS A 80 0.006 3.982 -6.435 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.588 4.567 -9.243 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.203 2.231 -8.489 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.525 2.375 -7.348 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.086 2.790 -9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.749 2.519 -10.375 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.437 0.238 -9.225 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.973 0.528 -8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.585 0.582 -11.452 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.120 -0.830 -10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.959 0.464 -11.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.062 0.360 -9.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.525 1.795 -10.549 1.00 0.00 H new ATOM 1258 N ARG A 81 -2.763 5.698 -8.978 1.00 0.00 N ATOM 1259 CA ARG A 81 -4.025 6.415 -8.843 1.00 0.00 C ATOM 1260 C ARG A 81 -5.210 5.466 -8.999 1.00 0.00 C ATOM 1261 O ARG A 81 -5.556 5.068 -10.112 1.00 0.00 O ATOM 1262 CB ARG A 81 -4.114 7.534 -9.883 1.00 0.00 C ATOM 1263 CG ARG A 81 -5.145 8.599 -9.545 1.00 0.00 C ATOM 1264 CD ARG A 81 -5.030 9.799 -10.472 1.00 0.00 C ATOM 1265 NE ARG A 81 -5.405 9.468 -11.844 1.00 0.00 N ATOM 1266 CZ ARG A 81 -5.007 10.166 -12.903 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -4.227 11.227 -12.747 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -5.390 9.802 -14.120 1.00 0.00 N ATOM 0 H ARG A 81 -2.287 5.846 -9.868 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.061 6.852 -7.845 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.136 8.005 -9.982 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.358 7.099 -10.852 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.146 8.175 -9.620 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.012 8.921 -8.512 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.668 10.603 -10.105 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.006 10.173 -10.456 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.005 8.657 -11.998 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.931 11.509 -11.813 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.923 11.761 -13.561 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.990 8.986 -14.243 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.084 10.338 -14.932 1.00 0.00 H new ATOM 1282 N ILE A 82 -5.825 5.107 -7.878 1.00 0.00 N ATOM 1283 CA ILE A 82 -6.970 4.205 -7.891 1.00 0.00 C ATOM 1284 C ILE A 82 -8.268 4.967 -8.138 1.00 0.00 C ATOM 1285 O ILE A 82 -8.999 4.679 -9.085 1.00 0.00 O ATOM 1286 CB ILE A 82 -7.089 3.427 -6.567 1.00 0.00 C ATOM 1287 CG1 ILE A 82 -5.827 2.597 -6.322 1.00 0.00 C ATOM 1288 CG2 ILE A 82 -8.321 2.534 -6.586 1.00 0.00 C ATOM 1289 CD1 ILE A 82 -5.716 1.387 -7.224 1.00 0.00 C ATOM 0 H ILE A 82 -5.550 5.427 -6.949 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.806 3.499 -8.705 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.195 4.142 -5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.952 3.230 -6.467 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.814 2.268 -5.283 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.391 1.991 -5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -9.213 3.147 -6.719 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.243 1.824 -7.409 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.798 0.846 -6.995 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.573 0.733 -7.062 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.697 1.710 -8.265 1.00 0.00 H new ATOM 1301 N SER A 83 -8.547 5.943 -7.280 1.00 0.00 N ATOM 1302 CA SER A 83 -9.757 6.747 -7.403 1.00 0.00 C ATOM 1303 C SER A 83 -9.439 8.233 -7.268 1.00 0.00 C ATOM 1304 O SER A 83 -8.279 8.621 -7.133 1.00 0.00 O ATOM 1305 CB SER A 83 -10.779 6.335 -6.342 1.00 0.00 C ATOM 1306 OG SER A 83 -11.195 4.993 -6.530 1.00 0.00 O ATOM 0 H SER A 83 -7.951 6.196 -6.492 1.00 0.00 H new ATOM 0 HA SER A 83 -10.180 6.572 -8.392 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.343 6.449 -5.349 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.644 6.997 -6.388 1.00 0.00 H new ATOM 0 HG SER A 83 -11.847 4.753 -5.839 1.00 0.00 H new ATOM 1312 N GLY A 84 -10.479 9.061 -7.306 1.00 0.00 N ATOM 1313 CA GLY A 84 -10.290 10.495 -7.188 1.00 0.00 C ATOM 1314 C GLY A 84 -9.755 11.117 -8.462 1.00 0.00 C ATOM 1315 O GLY A 84 -9.337 10.410 -9.380 1.00 0.00 O ATOM 0 H GLY A 84 -11.449 8.764 -7.416 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.240 10.963 -6.930 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.600 10.701 -6.370 1.00 0.00 H new ATOM 1319 N THR A 85 -9.768 12.445 -8.521 1.00 0.00 N ATOM 1320 CA THR A 85 -9.284 13.163 -9.694 1.00 0.00 C ATOM 1321 C THR A 85 -7.797 13.477 -9.570 1.00 0.00 C ATOM 1322 O THR A 85 -7.238 13.460 -8.473 1.00 0.00 O ATOM 1323 CB THR A 85 -10.058 14.476 -9.908 1.00 0.00 C ATOM 1324 OG1 THR A 85 -9.983 14.871 -11.283 1.00 0.00 O ATOM 1325 CG2 THR A 85 -9.501 15.584 -9.027 1.00 0.00 C ATOM 0 H THR A 85 -10.109 13.045 -7.770 1.00 0.00 H new ATOM 0 HA THR A 85 -9.445 12.511 -10.553 1.00 0.00 H new ATOM 0 HB THR A 85 -11.099 14.305 -9.635 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.479 15.706 -11.411 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.065 16.502 -9.196 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.586 15.294 -7.980 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.452 15.752 -9.273 1.00 0.00 H new ATOM 1333 N SER A 86 -7.162 13.764 -10.702 1.00 0.00 N ATOM 1334 CA SER A 86 -5.738 14.079 -10.720 1.00 0.00 C ATOM 1335 C SER A 86 -5.402 15.135 -9.671 1.00 0.00 C ATOM 1336 O SER A 86 -4.592 14.898 -8.774 1.00 0.00 O ATOM 1337 CB SER A 86 -5.321 14.572 -12.107 1.00 0.00 C ATOM 1338 OG SER A 86 -6.249 15.516 -12.613 1.00 0.00 O ATOM 0 H SER A 86 -7.611 13.785 -11.618 1.00 0.00 H new ATOM 0 HA SER A 86 -5.187 13.169 -10.484 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.331 15.024 -12.053 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.249 13.726 -12.791 1.00 0.00 H new ATOM 0 HG SER A 86 -5.959 15.817 -13.499 1.00 0.00 H new ATOM 1344 N ILE A 87 -6.029 16.300 -9.791 1.00 0.00 N ATOM 1345 CA ILE A 87 -5.798 17.392 -8.853 1.00 0.00 C ATOM 1346 C ILE A 87 -5.706 16.876 -7.421 1.00 0.00 C ATOM 1347 O ILE A 87 -4.684 17.041 -6.755 1.00 0.00 O ATOM 1348 CB ILE A 87 -6.914 18.450 -8.935 1.00 0.00 C ATOM 1349 CG1 ILE A 87 -6.851 19.187 -10.274 1.00 0.00 C ATOM 1350 CG2 ILE A 87 -6.799 19.431 -7.778 1.00 0.00 C ATOM 1351 CD1 ILE A 87 -8.139 19.891 -10.638 1.00 0.00 C ATOM 0 H ILE A 87 -6.701 16.512 -10.528 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.851 17.853 -9.132 1.00 0.00 H new ATOM 0 HB ILE A 87 -7.878 17.946 -8.865 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.044 19.919 -10.239 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.601 18.474 -11.060 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.594 20.173 -7.849 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -6.888 18.893 -6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -5.832 19.931 -7.820 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.021 20.392 -11.599 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.946 19.161 -10.706 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.380 20.628 -9.872 1.00 0.00 H new ATOM 1363 N ALA A 88 -6.780 16.248 -6.954 1.00 0.00 N ATOM 1364 CA ALA A 88 -6.819 15.704 -5.602 1.00 0.00 C ATOM 1365 C ALA A 88 -5.657 14.746 -5.362 1.00 0.00 C ATOM 1366 O ALA A 88 -4.986 14.815 -4.332 1.00 0.00 O ATOM 1367 CB ALA A 88 -8.145 15.000 -5.355 1.00 0.00 C ATOM 0 H ALA A 88 -7.635 16.103 -7.492 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.723 16.533 -4.900 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.161 14.599 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.962 15.711 -5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.263 14.186 -6.070 1.00 0.00 H new ATOM 1373 N PHE A 89 -5.424 13.853 -6.318 1.00 0.00 N ATOM 1374 CA PHE A 89 -4.343 12.881 -6.209 1.00 0.00 C ATOM 1375 C PHE A 89 -3.012 13.575 -5.937 1.00 0.00 C ATOM 1376 O PHE A 89 -2.401 13.382 -4.886 1.00 0.00 O ATOM 1377 CB PHE A 89 -4.246 12.050 -7.490 1.00 0.00 C ATOM 1378 CG PHE A 89 -3.253 10.926 -7.402 1.00 0.00 C ATOM 1379 CD1 PHE A 89 -3.296 10.028 -6.347 1.00 0.00 C ATOM 1380 CD2 PHE A 89 -2.277 10.768 -8.372 1.00 0.00 C ATOM 1381 CE1 PHE A 89 -2.384 8.992 -6.263 1.00 0.00 C ATOM 1382 CE2 PHE A 89 -1.363 9.735 -8.293 1.00 0.00 C ATOM 1383 CZ PHE A 89 -1.415 8.846 -7.237 1.00 0.00 C ATOM 0 H PHE A 89 -5.969 13.782 -7.177 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.565 12.220 -5.371 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.228 11.639 -7.722 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.970 12.704 -8.318 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.050 10.139 -5.582 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.230 11.460 -9.200 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.429 8.298 -5.437 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.608 9.623 -9.057 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.700 8.039 -7.173 1.00 0.00 H new ATOM 1393 N LYS A 90 -2.567 14.383 -6.893 1.00 0.00 N ATOM 1394 CA LYS A 90 -1.309 15.108 -6.759 1.00 0.00 C ATOM 1395 C LYS A 90 -1.263 15.879 -5.443 1.00 0.00 C ATOM 1396 O LYS A 90 -0.221 15.955 -4.794 1.00 0.00 O ATOM 1397 CB LYS A 90 -1.123 16.071 -7.933 1.00 0.00 C ATOM 1398 CG LYS A 90 0.205 16.807 -7.913 1.00 0.00 C ATOM 1399 CD LYS A 90 0.476 17.506 -9.234 1.00 0.00 C ATOM 1400 CE LYS A 90 -0.517 18.630 -9.484 1.00 0.00 C ATOM 1401 NZ LYS A 90 0.044 19.677 -10.383 1.00 0.00 N ATOM 0 H LYS A 90 -3.059 14.552 -7.770 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.497 14.380 -6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.205 15.513 -8.866 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.933 16.800 -7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.203 17.540 -7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.009 16.102 -7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.489 17.908 -9.233 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.421 16.783 -10.048 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.425 18.220 -9.926 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.801 19.082 -8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.664 20.425 -10.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.896 20.086 -9.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.291 19.252 -11.299 1.00 0.00 H new ATOM 1415 N ASN A 91 -2.400 16.449 -5.056 1.00 0.00 N ATOM 1416 CA ASN A 91 -2.489 17.213 -3.817 1.00 0.00 C ATOM 1417 C ASN A 91 -1.885 16.434 -2.653 1.00 0.00 C ATOM 1418 O ASN A 91 -0.891 16.855 -2.061 1.00 0.00 O ATOM 1419 CB ASN A 91 -3.947 17.560 -3.512 1.00 0.00 C ATOM 1420 CG ASN A 91 -4.083 18.860 -2.743 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -3.391 19.083 -1.750 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -4.980 19.727 -3.200 1.00 0.00 N ATOM 0 H ASN A 91 -3.272 16.396 -5.582 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.922 18.135 -3.946 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.503 17.634 -4.446 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.397 16.751 -2.936 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.116 20.619 -2.724 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -5.532 19.501 -4.027 1.00 0.00 H new ATOM 1429 N ILE A 92 -2.492 15.297 -2.331 1.00 0.00 N ATOM 1430 CA ILE A 92 -2.013 14.459 -1.239 1.00 0.00 C ATOM 1431 C ILE A 92 -0.662 13.838 -1.575 1.00 0.00 C ATOM 1432 O ILE A 92 0.191 13.672 -0.702 1.00 0.00 O ATOM 1433 CB ILE A 92 -3.014 13.335 -0.911 1.00 0.00 C ATOM 1434 CG1 ILE A 92 -2.480 12.463 0.227 1.00 0.00 C ATOM 1435 CG2 ILE A 92 -3.290 12.493 -2.147 1.00 0.00 C ATOM 1436 CD1 ILE A 92 -2.207 13.231 1.501 1.00 0.00 C ATOM 0 H ILE A 92 -3.316 14.935 -2.811 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.907 15.106 -0.368 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.952 13.787 -0.588 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.200 11.672 0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.560 11.978 -0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.999 11.703 -1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.709 13.124 -2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.360 12.048 -2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.831 12.549 2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.464 14.004 1.307 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.129 13.694 1.851 1.00 0.00 H new ATOM 1448 N ALA A 93 -0.472 13.498 -2.845 1.00 0.00 N ATOM 1449 CA ALA A 93 0.777 12.898 -3.298 1.00 0.00 C ATOM 1450 C ALA A 93 1.979 13.694 -2.800 1.00 0.00 C ATOM 1451 O ALA A 93 3.030 13.127 -2.501 1.00 0.00 O ATOM 1452 CB ALA A 93 0.798 12.803 -4.816 1.00 0.00 C ATOM 0 H ALA A 93 -1.168 13.628 -3.579 1.00 0.00 H new ATOM 0 HA ALA A 93 0.840 11.893 -2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.737 12.353 -5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.035 12.187 -5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.708 13.801 -5.244 1.00 0.00 H new ATOM 1458 N SER A 94 1.818 15.010 -2.713 1.00 0.00 N ATOM 1459 CA SER A 94 2.892 15.884 -2.255 1.00 0.00 C ATOM 1460 C SER A 94 3.094 15.753 -0.748 1.00 0.00 C ATOM 1461 O SER A 94 4.184 15.997 -0.233 1.00 0.00 O ATOM 1462 CB SER A 94 2.583 17.338 -2.615 1.00 0.00 C ATOM 1463 OG SER A 94 3.743 18.146 -2.516 1.00 0.00 O ATOM 0 H SER A 94 0.954 15.495 -2.954 1.00 0.00 H new ATOM 0 HA SER A 94 3.812 15.581 -2.755 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.187 17.388 -3.629 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.810 17.724 -1.951 1.00 0.00 H new ATOM 0 HG SER A 94 3.519 19.070 -2.753 1.00 0.00 H new ATOM 1469 N LYS A 95 2.033 15.365 -0.047 1.00 0.00 N ATOM 1470 CA LYS A 95 2.092 15.200 1.400 1.00 0.00 C ATOM 1471 C LYS A 95 2.886 13.952 1.774 1.00 0.00 C ATOM 1472 O LYS A 95 3.600 13.937 2.776 1.00 0.00 O ATOM 1473 CB LYS A 95 0.679 15.111 1.981 1.00 0.00 C ATOM 1474 CG LYS A 95 0.571 15.640 3.401 1.00 0.00 C ATOM 1475 CD LYS A 95 0.680 17.155 3.441 1.00 0.00 C ATOM 1476 CE LYS A 95 0.519 17.688 4.857 1.00 0.00 C ATOM 1477 NZ LYS A 95 1.748 17.477 5.672 1.00 0.00 N ATOM 0 H LYS A 95 1.123 15.159 -0.458 1.00 0.00 H new ATOM 0 HA LYS A 95 2.597 16.070 1.820 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.004 15.670 1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.353 14.071 1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.380 15.331 3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.358 15.201 4.015 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.647 17.462 3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.083 17.593 2.797 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.286 18.752 4.820 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.325 17.193 5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.598 17.854 6.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.957 16.460 5.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.548 17.970 5.227 1.00 0.00 H new ATOM 1491 N ILE A 96 2.757 12.909 0.961 1.00 0.00 N ATOM 1492 CA ILE A 96 3.464 11.659 1.205 1.00 0.00 C ATOM 1493 C ILE A 96 4.917 11.751 0.751 1.00 0.00 C ATOM 1494 O ILE A 96 5.839 11.551 1.541 1.00 0.00 O ATOM 1495 CB ILE A 96 2.787 10.478 0.485 1.00 0.00 C ATOM 1496 CG1 ILE A 96 1.266 10.575 0.619 1.00 0.00 C ATOM 1497 CG2 ILE A 96 3.291 9.156 1.045 1.00 0.00 C ATOM 1498 CD1 ILE A 96 0.799 10.823 2.037 1.00 0.00 C ATOM 0 H ILE A 96 2.169 12.905 0.127 1.00 0.00 H new ATOM 0 HA ILE A 96 3.432 11.484 2.280 1.00 0.00 H new ATOM 0 HB ILE A 96 3.043 10.522 -0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.904 11.380 -0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.817 9.651 0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.803 8.331 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.369 9.088 0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.062 9.101 2.109 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.289 10.880 2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.131 10.006 2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.218 11.762 2.399 1.00 0.00 H new ATOM 1510 N ALA A 97 5.113 12.058 -0.528 1.00 0.00 N ATOM 1511 CA ALA A 97 6.453 12.181 -1.087 1.00 0.00 C ATOM 1512 C ALA A 97 7.341 13.047 -0.200 1.00 0.00 C ATOM 1513 O ALA A 97 8.490 12.702 0.070 1.00 0.00 O ATOM 1514 CB ALA A 97 6.387 12.756 -2.494 1.00 0.00 C ATOM 0 H ALA A 97 4.360 12.226 -1.196 1.00 0.00 H new ATOM 0 HA ALA A 97 6.893 11.185 -1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.395 12.842 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.796 12.096 -3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.923 13.742 -2.463 1.00 0.00 H new ATOM 1520 N ASN A 98 6.799 14.175 0.250 1.00 0.00 N ATOM 1521 CA ASN A 98 7.543 15.092 1.106 1.00 0.00 C ATOM 1522 C ASN A 98 7.852 14.448 2.454 1.00 0.00 C ATOM 1523 O ASN A 98 9.004 14.140 2.757 1.00 0.00 O ATOM 1524 CB ASN A 98 6.751 16.384 1.315 1.00 0.00 C ATOM 1525 CG ASN A 98 7.420 17.319 2.304 1.00 0.00 C ATOM 1526 OD1 ASN A 98 7.386 17.088 3.513 1.00 0.00 O ATOM 1527 ND2 ASN A 98 8.031 18.381 1.793 1.00 0.00 N ATOM 0 H ASN A 98 5.848 14.475 0.036 1.00 0.00 H new ATOM 0 HA ASN A 98 8.485 15.328 0.611 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.634 16.894 0.359 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.750 16.140 1.670 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.498 19.046 2.409 1.00 0.00 H new ATOM 0 HD22 ASN A 98 8.033 18.532 0.784 1.00 0.00 H new ATOM 1534 N GLU A 99 6.813 14.247 3.260 1.00 0.00 N ATOM 1535 CA GLU A 99 6.974 13.640 4.576 1.00 0.00 C ATOM 1536 C GLU A 99 7.934 12.456 4.515 1.00 0.00 C ATOM 1537 O GLU A 99 8.895 12.381 5.282 1.00 0.00 O ATOM 1538 CB GLU A 99 5.619 13.185 5.121 1.00 0.00 C ATOM 1539 CG GLU A 99 4.850 14.284 5.835 1.00 0.00 C ATOM 1540 CD GLU A 99 5.374 14.549 7.233 1.00 0.00 C ATOM 1541 OE1 GLU A 99 5.631 13.570 7.965 1.00 0.00 O ATOM 1542 OE2 GLU A 99 5.526 15.734 7.595 1.00 0.00 O ATOM 0 H GLU A 99 5.852 14.496 3.024 1.00 0.00 H new ATOM 0 HA GLU A 99 7.393 14.391 5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.014 12.806 4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.774 12.355 5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.907 15.202 5.250 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.797 14.008 5.892 1.00 0.00 H new ATOM 1549 N LEU A 100 7.666 11.532 3.599 1.00 0.00 N ATOM 1550 CA LEU A 100 8.505 10.349 3.437 1.00 0.00 C ATOM 1551 C LEU A 100 9.981 10.705 3.581 1.00 0.00 C ATOM 1552 O LEU A 100 10.626 11.129 2.622 1.00 0.00 O ATOM 1553 CB LEU A 100 8.255 9.705 2.072 1.00 0.00 C ATOM 1554 CG LEU A 100 7.122 8.680 2.011 1.00 0.00 C ATOM 1555 CD1 LEU A 100 7.035 8.062 0.625 1.00 0.00 C ATOM 1556 CD2 LEU A 100 7.321 7.602 3.066 1.00 0.00 C ATOM 0 H LEU A 100 6.875 11.579 2.957 1.00 0.00 H new ATOM 0 HA LEU A 100 8.243 9.638 4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.042 10.496 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.175 9.219 1.748 1.00 0.00 H new ATOM 0 HG LEU A 100 6.183 9.193 2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.223 7.335 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.844 8.843 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.975 7.564 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.505 6.881 3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.269 7.093 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.332 8.059 4.056 1.00 0.00 H new ATOM 1568 N LYS A 101 10.512 10.528 4.786 1.00 0.00 N ATOM 1569 CA LYS A 101 11.914 10.826 5.057 1.00 0.00 C ATOM 1570 C LYS A 101 12.815 9.700 4.561 1.00 0.00 C ATOM 1571 O LYS A 101 13.324 8.905 5.352 1.00 0.00 O ATOM 1572 CB LYS A 101 12.130 11.044 6.556 1.00 0.00 C ATOM 1573 CG LYS A 101 13.341 11.903 6.877 1.00 0.00 C ATOM 1574 CD LYS A 101 13.044 13.380 6.686 1.00 0.00 C ATOM 1575 CE LYS A 101 14.240 14.242 7.060 1.00 0.00 C ATOM 1576 NZ LYS A 101 13.874 15.681 7.171 1.00 0.00 N ATOM 0 H LYS A 101 9.992 10.179 5.591 1.00 0.00 H new ATOM 0 HA LYS A 101 12.175 11.739 4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.241 11.512 6.979 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.243 10.075 7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.653 11.724 7.906 1.00 0.00 H new ATOM 0 HG3 LYS A 101 14.174 11.613 6.237 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.771 13.566 5.647 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.186 13.662 7.297 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.653 13.898 8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.022 14.123 6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.716 16.235 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.504 16.016 6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.146 15.798 7.904 1.00 0.00 H new ATOM 1590 N LEU A 102 13.011 9.639 3.249 1.00 0.00 N ATOM 1591 CA LEU A 102 13.853 8.611 2.647 1.00 0.00 C ATOM 1592 C LEU A 102 15.036 9.236 1.914 1.00 0.00 C ATOM 1593 O LEU A 102 14.863 10.128 1.083 1.00 0.00 O ATOM 1594 CB LEU A 102 13.034 7.754 1.680 1.00 0.00 C ATOM 1595 CG LEU A 102 11.682 7.264 2.199 1.00 0.00 C ATOM 1596 CD1 LEU A 102 10.765 6.903 1.040 1.00 0.00 C ATOM 1597 CD2 LEU A 102 11.866 6.072 3.127 1.00 0.00 C ATOM 0 H LEU A 102 12.598 10.290 2.581 1.00 0.00 H new ATOM 0 HA LEU A 102 14.238 7.978 3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.865 8.330 0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.630 6.885 1.401 1.00 0.00 H new ATOM 0 HG LEU A 102 11.218 8.071 2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.807 6.556 1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.606 7.781 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.223 6.112 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.893 5.737 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.352 5.260 2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.485 6.363 3.975 1.00 0.00 H new