USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 990 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: B 59 CYS SG : rot -27:sc= 0.14 USER MOD Set 1.2: B 78 CYS SG : rot 177:sc= -0.852 USER MOD Set 2.1: A 89 SER OG : rot 59:sc= 1.24 USER MOD Set 2.2: B 18 TYR OH : rot 180:sc= 1.01 USER MOD Set 3.1: A 56 CYS SG : rot -1:sc= 1.12 USER MOD Set 3.2: A 59 CYS SG : rot 180:sc= -0.831 USER MOD Set 3.3: A 74 HIS : no HD1:sc= 0.205 K(o=0.49,f=-10!) USER MOD Set 4.1: A 55 GLN : amide:sc= -0.703 K(o=-0.7,f=0) USER MOD Set 4.2: A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 6:sc= -0.457 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 MET CE :methyl -149:sc= -0.0235 (180deg=-1.49) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -149:sc= 1.25 (180deg=0.751) USER MOD Single : A 35 THR OG1 : rot 66:sc= 1.27 USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0586) USER MOD Single : A 40 THR OG1 : rot -73:sc= 1.18 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 54 ASN : amide:sc= -0.519 K(o=-0.52,f=-3.7!) USER MOD Single : A 57 LYS NZ :NH3+ 161:sc= -0.0733 (180deg=-0.403) USER MOD Single : A 67 GLN : amide:sc= 0.688 K(o=0.69,f=-0.00029) USER MOD Single : A 68 THR OG1 : rot -30:sc= 0.444 USER MOD Single : A 78 CYS SG : rot -170:sc= -3.14! USER MOD Single : A 84 LYS NZ :NH3+ -162:sc= -0.0415 (180deg=-0.358) USER MOD Single : A 85 GLN : amide:sc= -1 X(o=-1,f=-0.72) USER MOD Single : A 88 SER OG : rot 79:sc= 1.28 USER MOD Single : B 20 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : B 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.122 USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.1) USER MOD Single : B 35 THR OG1 : rot 77:sc= 1.29 USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 THR OG1 : rot -34:sc= -0.742 USER MOD Single : B 46 SER OG : rot 180:sc= 0.00828 USER MOD Single : B 53 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : B 54 ASN : amide:sc= -0.593 K(o=-0.59,f=-5.1!) USER MOD Single : B 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 CYS SG : rot 180:sc= 0 USER MOD Single : B 57 LYS NZ :NH3+ -173:sc= 1.92 (180deg=1.61) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 67 GLN : amide:sc= -0.989 K(o=-0.99,f=-0.0036) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 74 HIS : no HD1:sc= -1.77! K(o=-1.8!,f=-2.5) USER MOD Single : B 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 85 GLN : amide:sc= -2.28 K(o=-2.3,f=-0.32) USER MOD Single : B 88 SER OG : rot 180:sc= 0.00755 USER MOD Single : B 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N LEU A 17 7.099 -8.563 13.382 1.00 0.00 N ATOM 240 CA LEU A 17 6.588 -7.693 14.428 1.00 0.00 C ATOM 241 C LEU A 17 5.319 -7.007 13.945 1.00 0.00 C ATOM 242 O LEU A 17 5.292 -6.444 12.851 1.00 0.00 O ATOM 243 CB LEU A 17 7.646 -6.652 14.812 1.00 0.00 C ATOM 244 CG LEU A 17 7.235 -5.673 15.914 1.00 0.00 C ATOM 245 CD1 LEU A 17 6.972 -6.411 17.218 1.00 0.00 C ATOM 246 CD2 LEU A 17 8.308 -4.614 16.112 1.00 0.00 C ATOM 0 HA LEU A 17 6.355 -8.289 15.310 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.547 -7.176 15.132 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.909 -6.081 13.922 1.00 0.00 H new ATOM 0 HG LEU A 17 6.313 -5.180 15.606 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.681 -5.697 17.988 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.169 -7.134 17.072 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.877 -6.932 17.530 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.999 -3.926 16.899 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.245 -5.094 16.396 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.450 -4.062 15.183 1.00 0.00 H new ATOM 258 N TYR A 18 4.262 -7.072 14.741 1.00 0.00 N ATOM 259 CA TYR A 18 3.003 -6.461 14.355 1.00 0.00 C ATOM 260 C TYR A 18 2.875 -5.082 14.994 1.00 0.00 C ATOM 261 O TYR A 18 3.666 -4.719 15.867 1.00 0.00 O ATOM 262 CB TYR A 18 1.825 -7.357 14.745 1.00 0.00 C ATOM 263 CG TYR A 18 0.620 -7.180 13.849 1.00 0.00 C ATOM 264 CD1 TYR A 18 0.727 -7.366 12.476 1.00 0.00 C ATOM 265 CD2 TYR A 18 -0.618 -6.818 14.364 1.00 0.00 C ATOM 266 CE1 TYR A 18 -0.362 -7.202 11.647 1.00 0.00 C ATOM 267 CE2 TYR A 18 -1.713 -6.649 13.538 1.00 0.00 C ATOM 268 CZ TYR A 18 -1.577 -6.843 12.180 1.00 0.00 C ATOM 269 OH TYR A 18 -2.660 -6.678 11.352 1.00 0.00 O ATOM 0 H TYR A 18 4.252 -7.537 15.649 1.00 0.00 H new ATOM 0 HA TYR A 18 2.987 -6.343 13.272 1.00 0.00 H new ATOM 0 HB2 TYR A 18 2.143 -8.399 14.713 1.00 0.00 H new ATOM 0 HB3 TYR A 18 1.539 -7.142 15.775 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.680 -7.644 12.051 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.727 -6.666 15.428 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.261 -7.355 10.583 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.669 -6.367 13.954 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.417 -6.940 10.440 1.00 0.00 H new ATOM 279 N PHE A 19 1.873 -4.323 14.566 1.00 0.00 N ATOM 280 CA PHE A 19 1.732 -2.931 14.971 1.00 0.00 C ATOM 281 C PHE A 19 1.282 -2.791 16.421 1.00 0.00 C ATOM 282 O PHE A 19 0.086 -2.767 16.720 1.00 0.00 O ATOM 283 CB PHE A 19 0.761 -2.199 14.043 1.00 0.00 C ATOM 284 CG PHE A 19 1.205 -2.181 12.609 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.184 -1.297 12.187 1.00 0.00 C ATOM 286 CD2 PHE A 19 0.652 -3.052 11.686 1.00 0.00 C ATOM 287 CE1 PHE A 19 2.602 -1.280 10.869 1.00 0.00 C ATOM 288 CE2 PHE A 19 1.067 -3.041 10.368 1.00 0.00 C ATOM 289 CZ PHE A 19 2.042 -2.153 9.960 1.00 0.00 C ATOM 0 H PHE A 19 1.142 -4.652 13.935 1.00 0.00 H new ATOM 0 HA PHE A 19 2.719 -2.475 14.892 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.218 -2.674 14.106 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.641 -1.173 14.391 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.626 -0.613 12.896 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.112 -3.748 11.999 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.365 -0.585 10.552 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.629 -3.727 9.658 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.366 -2.142 8.930 1.00 0.00 H new ATOM 299 N GLN A 20 2.262 -2.755 17.311 1.00 0.00 N ATOM 300 CA GLN A 20 2.058 -2.403 18.709 1.00 0.00 C ATOM 301 C GLN A 20 3.225 -1.532 19.158 1.00 0.00 C ATOM 302 O GLN A 20 3.164 -0.302 19.096 1.00 0.00 O ATOM 303 CB GLN A 20 1.965 -3.654 19.589 1.00 0.00 C ATOM 304 CG GLN A 20 0.744 -4.515 19.315 1.00 0.00 C ATOM 305 CD GLN A 20 0.690 -5.746 20.195 1.00 0.00 C ATOM 306 OE1 GLN A 20 1.208 -6.806 19.837 1.00 0.00 O ATOM 307 NE2 GLN A 20 0.068 -5.613 21.357 1.00 0.00 N ATOM 0 H GLN A 20 3.232 -2.972 17.081 1.00 0.00 H new ATOM 0 HA GLN A 20 1.117 -1.862 18.811 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.862 -4.256 19.442 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.954 -3.349 20.635 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.157 -3.922 19.471 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.747 -4.821 18.269 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.347 -4.717 21.614 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.004 -6.406 21.995 1.00 0.00 H new ATOM 316 N GLY A 21 4.302 -2.185 19.573 1.00 0.00 N ATOM 317 CA GLY A 21 5.541 -1.487 19.829 1.00 0.00 C ATOM 318 C GLY A 21 6.429 -1.526 18.607 1.00 0.00 C ATOM 319 O GLY A 21 7.456 -2.205 18.591 1.00 0.00 O ATOM 0 H GLY A 21 4.337 -3.191 19.737 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.333 -0.453 20.103 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.055 -1.944 20.675 1.00 0.00 H new ATOM 323 N MET A 22 6.012 -0.809 17.575 1.00 0.00 N ATOM 324 CA MET A 22 6.672 -0.861 16.280 1.00 0.00 C ATOM 325 C MET A 22 7.996 -0.117 16.323 1.00 0.00 C ATOM 326 O MET A 22 8.133 0.886 17.020 1.00 0.00 O ATOM 327 CB MET A 22 5.751 -0.268 15.209 1.00 0.00 C ATOM 328 CG MET A 22 5.876 -0.942 13.853 1.00 0.00 C ATOM 329 SD MET A 22 5.565 -2.718 13.945 1.00 0.00 S ATOM 330 CE MET A 22 5.775 -3.208 12.235 1.00 0.00 C ATOM 0 H MET A 22 5.211 -0.178 17.611 1.00 0.00 H new ATOM 0 HA MET A 22 6.881 -1.901 16.030 1.00 0.00 H new ATOM 0 HB2 MET A 22 4.718 -0.344 15.549 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.973 0.793 15.099 1.00 0.00 H new ATOM 0 HG2 MET A 22 5.172 -0.487 13.156 1.00 0.00 H new ATOM 0 HG3 MET A 22 6.876 -0.770 13.454 1.00 0.00 H new ATOM 0 HE1 MET A 22 5.127 -4.057 12.018 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.513 -2.375 11.583 1.00 0.00 H new ATOM 0 HE3 MET A 22 6.813 -3.491 12.062 1.00 0.00 H new ATOM 340 N THR A 23 8.969 -0.623 15.576 1.00 0.00 N ATOM 341 CA THR A 23 10.320 -0.080 15.582 1.00 0.00 C ATOM 342 C THR A 23 10.418 1.218 14.775 1.00 0.00 C ATOM 343 O THR A 23 11.496 1.804 14.664 1.00 0.00 O ATOM 344 CB THR A 23 11.304 -1.112 15.008 1.00 0.00 C ATOM 345 OG1 THR A 23 10.789 -2.434 15.219 1.00 0.00 O ATOM 346 CG2 THR A 23 12.658 -0.994 15.682 1.00 0.00 C ATOM 0 H THR A 23 8.844 -1.419 14.951 1.00 0.00 H new ATOM 0 HA THR A 23 10.576 0.145 16.617 1.00 0.00 H new ATOM 0 HB THR A 23 11.422 -0.921 13.941 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.416 -3.092 14.851 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.340 -1.733 15.261 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.060 0.006 15.518 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.548 -1.169 16.752 1.00 0.00 H new ATOM 354 N ASP A 24 9.285 1.645 14.214 1.00 0.00 N ATOM 355 CA ASP A 24 9.181 2.878 13.416 1.00 0.00 C ATOM 356 C ASP A 24 9.805 2.720 12.027 1.00 0.00 C ATOM 357 O ASP A 24 9.230 3.163 11.033 1.00 0.00 O ATOM 358 CB ASP A 24 9.798 4.075 14.147 1.00 0.00 C ATOM 359 CG ASP A 24 9.578 5.373 13.401 1.00 0.00 C ATOM 360 OD1 ASP A 24 8.416 5.688 13.088 1.00 0.00 O ATOM 361 OD2 ASP A 24 10.573 6.084 13.129 1.00 0.00 O ATOM 0 H ASP A 24 8.402 1.142 14.299 1.00 0.00 H new ATOM 0 HA ASP A 24 8.117 3.071 13.281 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.365 4.153 15.144 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.867 3.908 14.276 1.00 0.00 H new ATOM 366 N THR A 25 10.961 2.063 11.955 1.00 0.00 N ATOM 367 CA THR A 25 11.634 1.792 10.681 1.00 0.00 C ATOM 368 C THR A 25 10.733 0.997 9.728 1.00 0.00 C ATOM 369 O THR A 25 10.969 0.950 8.520 1.00 0.00 O ATOM 370 CB THR A 25 12.945 1.020 10.927 1.00 0.00 C ATOM 371 OG1 THR A 25 13.712 1.695 11.931 1.00 0.00 O ATOM 372 CG2 THR A 25 13.769 0.907 9.650 1.00 0.00 C ATOM 0 H THR A 25 11.457 1.704 12.771 1.00 0.00 H new ATOM 0 HA THR A 25 11.859 2.750 10.213 1.00 0.00 H new ATOM 0 HB THR A 25 12.692 0.013 11.260 1.00 0.00 H new ATOM 0 HG1 THR A 25 14.546 1.205 12.090 1.00 0.00 H new ATOM 0 HG21 THR A 25 14.687 0.357 9.857 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.193 0.378 8.891 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.017 1.905 9.288 1.00 0.00 H new ATOM 380 N ALA A 26 9.684 0.394 10.279 1.00 0.00 N ATOM 381 CA ALA A 26 8.700 -0.326 9.484 1.00 0.00 C ATOM 382 C ALA A 26 8.075 0.583 8.427 1.00 0.00 C ATOM 383 O ALA A 26 7.648 0.112 7.378 1.00 0.00 O ATOM 384 CB ALA A 26 7.620 -0.900 10.383 1.00 0.00 C ATOM 0 H ALA A 26 9.495 0.391 11.281 1.00 0.00 H new ATOM 0 HA ALA A 26 9.210 -1.142 8.972 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.890 -1.436 9.777 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.070 -1.586 11.100 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.123 -0.090 10.918 1.00 0.00 H new ATOM 390 N ALA A 27 8.044 1.887 8.711 1.00 0.00 N ATOM 391 CA ALA A 27 7.486 2.872 7.788 1.00 0.00 C ATOM 392 C ALA A 27 8.181 2.813 6.434 1.00 0.00 C ATOM 393 O ALA A 27 7.567 3.065 5.399 1.00 0.00 O ATOM 394 CB ALA A 27 7.600 4.270 8.376 1.00 0.00 C ATOM 0 H ALA A 27 8.402 2.285 9.579 1.00 0.00 H new ATOM 0 HA ALA A 27 6.433 2.634 7.639 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.180 4.994 7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.052 4.315 9.317 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.649 4.505 8.555 1.00 0.00 H new ATOM 400 N GLU A 28 9.463 2.466 6.450 1.00 0.00 N ATOM 401 CA GLU A 28 10.242 2.341 5.229 1.00 0.00 C ATOM 402 C GLU A 28 9.647 1.262 4.323 1.00 0.00 C ATOM 403 O GLU A 28 9.462 1.478 3.131 1.00 0.00 O ATOM 404 CB GLU A 28 11.705 2.028 5.574 1.00 0.00 C ATOM 405 CG GLU A 28 12.587 1.724 4.370 1.00 0.00 C ATOM 406 CD GLU A 28 12.726 2.901 3.428 1.00 0.00 C ATOM 407 OE1 GLU A 28 13.610 3.752 3.653 1.00 0.00 O ATOM 408 OE2 GLU A 28 11.950 2.989 2.457 1.00 0.00 O ATOM 0 H GLU A 28 9.986 2.266 7.303 1.00 0.00 H new ATOM 0 HA GLU A 28 10.210 3.286 4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.127 2.876 6.113 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.731 1.175 6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.576 1.424 4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.170 0.877 3.825 1.00 0.00 H new ATOM 415 N ASP A 29 9.312 0.116 4.895 1.00 0.00 N ATOM 416 CA ASP A 29 8.744 -0.977 4.112 1.00 0.00 C ATOM 417 C ASP A 29 7.274 -0.729 3.805 1.00 0.00 C ATOM 418 O ASP A 29 6.773 -1.135 2.756 1.00 0.00 O ATOM 419 CB ASP A 29 8.922 -2.319 4.823 1.00 0.00 C ATOM 420 CG ASP A 29 10.339 -2.838 4.715 1.00 0.00 C ATOM 421 OD1 ASP A 29 10.678 -3.451 3.681 1.00 0.00 O ATOM 422 OD2 ASP A 29 11.129 -2.616 5.653 1.00 0.00 O ATOM 0 H ASP A 29 9.421 -0.083 5.889 1.00 0.00 H new ATOM 0 HA ASP A 29 9.287 -1.017 3.168 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.656 -2.210 5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.235 -3.049 4.395 1.00 0.00 H new ATOM 427 N VAL A 30 6.586 -0.045 4.709 1.00 0.00 N ATOM 428 CA VAL A 30 5.180 0.278 4.494 1.00 0.00 C ATOM 429 C VAL A 30 5.026 1.304 3.371 1.00 0.00 C ATOM 430 O VAL A 30 4.061 1.266 2.612 1.00 0.00 O ATOM 431 CB VAL A 30 4.501 0.796 5.781 1.00 0.00 C ATOM 432 CG1 VAL A 30 3.040 1.136 5.525 1.00 0.00 C ATOM 433 CG2 VAL A 30 4.611 -0.235 6.893 1.00 0.00 C ATOM 0 H VAL A 30 6.972 0.294 5.590 1.00 0.00 H new ATOM 0 HA VAL A 30 4.681 -0.647 4.204 1.00 0.00 H new ATOM 0 HB VAL A 30 5.016 1.705 6.092 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.584 1.498 6.446 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.975 1.909 4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.513 0.244 5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.127 0.147 7.792 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.123 -1.159 6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.662 -0.433 7.103 1.00 0.00 H new ATOM 443 N ARG A 31 5.981 2.214 3.247 1.00 0.00 N ATOM 444 CA ARG A 31 5.943 3.175 2.154 1.00 0.00 C ATOM 445 C ARG A 31 6.297 2.504 0.829 1.00 0.00 C ATOM 446 O ARG A 31 5.863 2.950 -0.230 1.00 0.00 O ATOM 447 CB ARG A 31 6.826 4.397 2.420 1.00 0.00 C ATOM 448 CG ARG A 31 8.322 4.151 2.369 1.00 0.00 C ATOM 449 CD ARG A 31 9.076 5.446 2.606 1.00 0.00 C ATOM 450 NE ARG A 31 10.524 5.280 2.554 1.00 0.00 N ATOM 451 CZ ARG A 31 11.379 6.298 2.539 1.00 0.00 C ATOM 452 NH1 ARG A 31 10.926 7.547 2.526 1.00 0.00 N ATOM 453 NH2 ARG A 31 12.685 6.069 2.540 1.00 0.00 N ATOM 0 H ARG A 31 6.778 2.308 3.877 1.00 0.00 H new ATOM 0 HA ARG A 31 4.920 3.544 2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.578 5.167 1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.575 4.797 3.403 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.603 3.416 3.123 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.596 3.734 1.400 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.773 6.179 1.858 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.797 5.850 3.579 1.00 0.00 H new ATOM 0 HE ARG A 31 10.901 4.333 2.528 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.922 7.725 2.528 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.583 8.328 2.515 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.035 5.111 2.552 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.340 6.851 2.528 1.00 0.00 H new ATOM 467 N LYS A 32 7.097 1.439 0.890 1.00 0.00 N ATOM 468 CA LYS A 32 7.403 0.645 -0.301 1.00 0.00 C ATOM 469 C LYS A 32 6.119 0.100 -0.924 1.00 0.00 C ATOM 470 O LYS A 32 5.881 0.266 -2.121 1.00 0.00 O ATOM 471 CB LYS A 32 8.339 -0.520 0.038 1.00 0.00 C ATOM 472 CG LYS A 32 9.699 -0.095 0.567 1.00 0.00 C ATOM 473 CD LYS A 32 10.514 -1.294 1.027 1.00 0.00 C ATOM 474 CE LYS A 32 11.780 -0.867 1.753 1.00 0.00 C ATOM 475 NZ LYS A 32 12.506 -2.034 2.314 1.00 0.00 N ATOM 0 H LYS A 32 7.543 1.107 1.746 1.00 0.00 H new ATOM 0 HA LYS A 32 7.903 1.299 -1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.856 -1.155 0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.483 -1.127 -0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.243 0.440 -0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.568 0.598 1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.908 -1.915 1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.778 -1.907 0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.431 -0.329 1.064 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.524 -0.176 2.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.004 -1.749 3.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.828 -2.790 2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.195 -2.382 1.617 1.00 0.00 H new ATOM 489 N ILE A 33 5.279 -0.539 -0.105 1.00 0.00 N ATOM 490 CA ILE A 33 4.007 -1.074 -0.595 1.00 0.00 C ATOM 491 C ILE A 33 3.050 0.061 -0.951 1.00 0.00 C ATOM 492 O ILE A 33 2.217 -0.074 -1.843 1.00 0.00 O ATOM 493 CB ILE A 33 3.328 -2.034 0.412 1.00 0.00 C ATOM 494 CG1 ILE A 33 3.051 -1.340 1.745 1.00 0.00 C ATOM 495 CG2 ILE A 33 4.187 -3.273 0.620 1.00 0.00 C ATOM 496 CD1 ILE A 33 2.289 -2.196 2.732 1.00 0.00 C ATOM 0 H ILE A 33 5.454 -0.697 0.887 1.00 0.00 H new ATOM 0 HA ILE A 33 4.241 -1.654 -1.488 1.00 0.00 H new ATOM 0 HB ILE A 33 2.369 -2.338 -0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.999 -1.042 2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.486 -0.427 1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.698 -3.940 1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.318 -3.789 -0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.161 -2.979 1.010 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.130 -1.635 3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.325 -2.473 2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.862 -3.098 2.950 1.00 0.00 H new ATOM 508 N ALA A 34 3.193 1.183 -0.254 1.00 0.00 N ATOM 509 CA ALA A 34 2.430 2.388 -0.561 1.00 0.00 C ATOM 510 C ALA A 34 2.808 2.926 -1.938 1.00 0.00 C ATOM 511 O ALA A 34 1.976 3.482 -2.653 1.00 0.00 O ATOM 512 CB ALA A 34 2.650 3.448 0.514 1.00 0.00 C ATOM 0 H ALA A 34 3.835 1.283 0.533 1.00 0.00 H new ATOM 0 HA ALA A 34 1.371 2.132 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.073 4.340 0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.325 3.060 1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.709 3.702 0.563 1.00 0.00 H new ATOM 518 N THR A 35 4.064 2.741 -2.311 1.00 0.00 N ATOM 519 CA THR A 35 4.535 3.141 -3.626 1.00 0.00 C ATOM 520 C THR A 35 4.063 2.138 -4.679 1.00 0.00 C ATOM 521 O THR A 35 3.819 2.494 -5.836 1.00 0.00 O ATOM 522 CB THR A 35 6.074 3.254 -3.649 1.00 0.00 C ATOM 523 OG1 THR A 35 6.512 4.125 -2.599 1.00 0.00 O ATOM 524 CG2 THR A 35 6.567 3.790 -4.985 1.00 0.00 C ATOM 0 H THR A 35 4.777 2.315 -1.719 1.00 0.00 H new ATOM 0 HA THR A 35 4.119 4.122 -3.856 1.00 0.00 H new ATOM 0 HB THR A 35 6.487 2.256 -3.502 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.304 3.721 -1.731 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.655 3.858 -4.971 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.256 3.117 -5.784 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.144 4.779 -5.159 1.00 0.00 H new ATOM 532 N ALA A 36 3.914 0.883 -4.261 1.00 0.00 N ATOM 533 CA ALA A 36 3.382 -0.159 -5.128 1.00 0.00 C ATOM 534 C ALA A 36 1.959 0.178 -5.548 1.00 0.00 C ATOM 535 O ALA A 36 1.503 -0.244 -6.609 1.00 0.00 O ATOM 536 CB ALA A 36 3.434 -1.511 -4.433 1.00 0.00 C ATOM 0 H ALA A 36 4.156 0.565 -3.323 1.00 0.00 H new ATOM 0 HA ALA A 36 4.000 -0.215 -6.024 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.032 -2.277 -5.096 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.467 -1.752 -4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.840 -1.474 -3.520 1.00 0.00 H new ATOM 542 N LEU A 37 1.266 0.953 -4.713 1.00 0.00 N ATOM 543 CA LEU A 37 -0.071 1.430 -5.033 1.00 0.00 C ATOM 544 C LEU A 37 -0.024 2.315 -6.272 1.00 0.00 C ATOM 545 O LEU A 37 -0.854 2.197 -7.166 1.00 0.00 O ATOM 546 CB LEU A 37 -0.654 2.226 -3.862 1.00 0.00 C ATOM 547 CG LEU A 37 -0.582 1.539 -2.498 1.00 0.00 C ATOM 548 CD1 LEU A 37 -1.250 2.398 -1.436 1.00 0.00 C ATOM 549 CD2 LEU A 37 -1.221 0.159 -2.549 1.00 0.00 C ATOM 0 H LEU A 37 1.615 1.263 -3.806 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.707 0.566 -5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.130 3.180 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.698 2.450 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 37 0.468 1.415 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.190 1.895 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.743 3.361 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.296 2.554 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.157 -0.308 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.268 0.253 -2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.697 -0.458 -3.279 1.00 0.00 H new ATOM 561 N LEU A 38 0.971 3.191 -6.323 1.00 0.00 N ATOM 562 CA LEU A 38 1.153 4.086 -7.460 1.00 0.00 C ATOM 563 C LEU A 38 1.609 3.306 -8.690 1.00 0.00 C ATOM 564 O LEU A 38 1.377 3.716 -9.822 1.00 0.00 O ATOM 565 CB LEU A 38 2.167 5.194 -7.135 1.00 0.00 C ATOM 566 CG LEU A 38 1.649 6.343 -6.257 1.00 0.00 C ATOM 567 CD1 LEU A 38 1.327 5.864 -4.850 1.00 0.00 C ATOM 568 CD2 LEU A 38 2.668 7.474 -6.214 1.00 0.00 C ATOM 0 H LEU A 38 1.668 3.302 -5.587 1.00 0.00 H new ATOM 0 HA LEU A 38 0.191 4.552 -7.674 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.024 4.740 -6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.529 5.615 -8.073 1.00 0.00 H new ATOM 0 HG LEU A 38 0.726 6.715 -6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.963 6.702 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.560 5.091 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.227 5.456 -4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.289 8.282 -5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.605 7.104 -5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.840 7.847 -7.224 1.00 0.00 H new ATOM 580 N LYS A 39 2.260 2.179 -8.457 1.00 0.00 N ATOM 581 CA LYS A 39 2.744 1.338 -9.541 1.00 0.00 C ATOM 582 C LYS A 39 1.591 0.551 -10.165 1.00 0.00 C ATOM 583 O LYS A 39 1.697 0.063 -11.291 1.00 0.00 O ATOM 584 CB LYS A 39 3.799 0.367 -9.002 1.00 0.00 C ATOM 585 CG LYS A 39 4.822 -0.095 -10.032 1.00 0.00 C ATOM 586 CD LYS A 39 5.947 0.920 -10.205 1.00 0.00 C ATOM 587 CE LYS A 39 5.624 1.974 -11.253 1.00 0.00 C ATOM 588 NZ LYS A 39 5.696 1.426 -12.633 1.00 0.00 N ATOM 0 H LYS A 39 2.467 1.823 -7.524 1.00 0.00 H new ATOM 0 HA LYS A 39 3.187 1.973 -10.308 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.325 0.845 -8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.293 -0.508 -8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.241 -1.053 -9.724 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.327 -0.256 -10.990 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.141 1.409 -9.250 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.862 0.399 -10.488 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.625 2.371 -11.072 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.321 2.807 -11.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.689 2.208 -13.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.572 0.877 -12.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.877 0.808 -12.804 1.00 0.00 H new ATOM 602 N THR A 40 0.486 0.440 -9.437 1.00 0.00 N ATOM 603 CA THR A 40 -0.616 -0.413 -9.856 1.00 0.00 C ATOM 604 C THR A 40 -1.909 0.367 -10.121 1.00 0.00 C ATOM 605 O THR A 40 -2.499 0.253 -11.199 1.00 0.00 O ATOM 606 CB THR A 40 -0.887 -1.498 -8.798 1.00 0.00 C ATOM 607 OG1 THR A 40 -0.966 -0.899 -7.497 1.00 0.00 O ATOM 608 CG2 THR A 40 0.208 -2.550 -8.806 1.00 0.00 C ATOM 0 H THR A 40 0.331 0.930 -8.556 1.00 0.00 H new ATOM 0 HA THR A 40 -0.309 -0.870 -10.796 1.00 0.00 H new ATOM 0 HB THR A 40 -1.834 -1.981 -9.039 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.068 -0.639 -7.201 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.007 -3.305 -8.050 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.252 -3.022 -9.788 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.166 -2.079 -8.587 1.00 0.00 H new ATOM 616 N ALA A 41 -2.346 1.146 -9.132 1.00 0.00 N ATOM 617 CA ALA A 41 -3.619 1.864 -9.211 1.00 0.00 C ATOM 618 C ALA A 41 -3.504 3.103 -10.088 1.00 0.00 C ATOM 619 O ALA A 41 -4.508 3.639 -10.561 1.00 0.00 O ATOM 620 CB ALA A 41 -4.104 2.243 -7.817 1.00 0.00 C ATOM 0 H ALA A 41 -1.835 1.297 -8.262 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.350 1.197 -9.669 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.052 2.776 -7.894 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.243 1.340 -7.222 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.365 2.884 -7.336 1.00 0.00 H new ATOM 626 N ILE A 42 -2.279 3.564 -10.281 1.00 0.00 N ATOM 627 CA ILE A 42 -2.022 4.668 -11.188 1.00 0.00 C ATOM 628 C ILE A 42 -1.672 4.100 -12.556 1.00 0.00 C ATOM 629 O ILE A 42 -0.588 3.544 -12.747 1.00 0.00 O ATOM 630 CB ILE A 42 -0.866 5.567 -10.690 1.00 0.00 C ATOM 631 CG1 ILE A 42 -1.061 5.940 -9.215 1.00 0.00 C ATOM 632 CG2 ILE A 42 -0.767 6.821 -11.541 1.00 0.00 C ATOM 633 CD1 ILE A 42 -2.328 6.717 -8.932 1.00 0.00 C ATOM 0 H ILE A 42 -1.448 3.191 -9.822 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.918 5.286 -11.242 1.00 0.00 H new ATOM 0 HB ILE A 42 0.064 5.006 -10.781 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.068 5.027 -8.619 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.206 6.530 -8.885 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.051 7.443 -11.178 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.579 6.543 -12.578 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.702 7.378 -11.478 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.388 6.940 -7.867 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.317 7.649 -9.498 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.193 6.123 -9.227 1.00 0.00 H new ATOM 645 N GLU A 43 -2.598 4.199 -13.493 1.00 0.00 N ATOM 646 CA GLU A 43 -2.408 3.594 -14.795 1.00 0.00 C ATOM 647 C GLU A 43 -2.766 4.574 -15.902 1.00 0.00 C ATOM 648 O GLU A 43 -3.781 5.270 -15.838 1.00 0.00 O ATOM 649 CB GLU A 43 -3.232 2.309 -14.907 1.00 0.00 C ATOM 650 CG GLU A 43 -3.005 1.543 -16.200 1.00 0.00 C ATOM 651 CD GLU A 43 -3.440 0.099 -16.093 1.00 0.00 C ATOM 652 OE1 GLU A 43 -4.636 -0.188 -16.302 1.00 0.00 O ATOM 653 OE2 GLU A 43 -2.586 -0.759 -15.782 1.00 0.00 O ATOM 0 H GLU A 43 -3.484 4.690 -13.376 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.355 3.335 -14.909 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.992 1.660 -14.065 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.290 2.559 -14.825 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.554 2.027 -17.008 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.948 1.584 -16.463 1.00 0.00 H new ATOM 660 N ILE A 44 -1.918 4.618 -16.908 1.00 0.00 N ATOM 661 CA ILE A 44 -2.063 5.559 -18.000 1.00 0.00 C ATOM 662 C ILE A 44 -2.912 4.968 -19.123 1.00 0.00 C ATOM 663 O ILE A 44 -2.610 3.902 -19.664 1.00 0.00 O ATOM 664 CB ILE A 44 -0.666 6.010 -18.520 1.00 0.00 C ATOM 665 CG1 ILE A 44 -0.778 6.933 -19.748 1.00 0.00 C ATOM 666 CG2 ILE A 44 0.220 4.803 -18.818 1.00 0.00 C ATOM 667 CD1 ILE A 44 -0.775 6.214 -21.087 1.00 0.00 C ATOM 0 H ILE A 44 -1.109 4.003 -16.992 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.584 6.441 -17.627 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.196 6.590 -17.726 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.696 7.514 -19.666 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.050 7.641 -19.730 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.190 5.144 -19.180 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.357 4.219 -17.908 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.254 4.183 -19.579 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.858 6.944 -21.892 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.154 5.655 -21.198 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.620 5.526 -21.133 1.00 0.00 H new ATOM 679 N VAL A 45 -3.993 5.656 -19.450 1.00 0.00 N ATOM 680 CA VAL A 45 -4.808 5.290 -20.590 1.00 0.00 C ATOM 681 C VAL A 45 -4.400 6.132 -21.794 1.00 0.00 C ATOM 682 O VAL A 45 -4.606 7.348 -21.829 1.00 0.00 O ATOM 683 CB VAL A 45 -6.322 5.436 -20.308 1.00 0.00 C ATOM 684 CG1 VAL A 45 -6.791 4.342 -19.359 1.00 0.00 C ATOM 685 CG2 VAL A 45 -6.655 6.806 -19.732 1.00 0.00 C ATOM 0 H VAL A 45 -4.325 6.474 -18.938 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.634 4.235 -20.801 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.846 5.336 -21.258 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.858 4.457 -19.170 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.606 3.366 -19.808 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.245 4.418 -18.418 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.727 6.872 -19.547 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.115 6.948 -18.796 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.361 7.580 -20.441 1.00 0.00 H new ATOM 772 N HIS A 53 -3.293 9.841 -20.864 1.00 0.00 N ATOM 773 CA HIS A 53 -3.867 10.308 -19.611 1.00 0.00 C ATOM 774 C HIS A 53 -3.525 9.328 -18.502 1.00 0.00 C ATOM 775 O HIS A 53 -4.021 8.204 -18.489 1.00 0.00 O ATOM 776 CB HIS A 53 -5.393 10.453 -19.698 1.00 0.00 C ATOM 777 CG HIS A 53 -5.876 11.572 -20.571 1.00 0.00 C ATOM 778 ND1 HIS A 53 -5.507 12.886 -20.392 1.00 0.00 N ATOM 779 CD2 HIS A 53 -6.722 11.564 -21.628 1.00 0.00 C ATOM 780 CE1 HIS A 53 -6.112 13.637 -21.293 1.00 0.00 C ATOM 781 NE2 HIS A 53 -6.855 12.859 -22.058 1.00 0.00 N ATOM 0 HA HIS A 53 -3.445 11.291 -19.400 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.811 9.517 -20.069 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.786 10.601 -18.692 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.204 10.696 -22.054 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.015 14.708 -21.388 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.432 13.170 -22.839 1.00 0.00 H new ATOM 790 N ASN A 54 -2.671 9.740 -17.584 1.00 0.00 N ATOM 791 CA ASN A 54 -2.316 8.893 -16.456 1.00 0.00 C ATOM 792 C ASN A 54 -3.383 9.028 -15.385 1.00 0.00 C ATOM 793 O ASN A 54 -3.484 10.058 -14.729 1.00 0.00 O ATOM 794 CB ASN A 54 -0.942 9.281 -15.901 1.00 0.00 C ATOM 795 CG ASN A 54 -0.457 8.331 -14.828 1.00 0.00 C ATOM 796 OD1 ASN A 54 -0.793 7.148 -14.832 1.00 0.00 O ATOM 797 ND2 ASN A 54 0.354 8.836 -13.909 1.00 0.00 N ATOM 0 H ASN A 54 -2.211 10.650 -17.595 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.260 7.855 -16.784 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.218 9.302 -16.716 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.992 10.290 -15.492 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.723 8.237 -13.170 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.609 9.823 -13.941 1.00 0.00 H new ATOM 804 N GLN A 55 -4.204 8.008 -15.225 1.00 0.00 N ATOM 805 CA GLN A 55 -5.369 8.131 -14.373 1.00 0.00 C ATOM 806 C GLN A 55 -5.249 7.304 -13.109 1.00 0.00 C ATOM 807 O GLN A 55 -4.797 6.159 -13.126 1.00 0.00 O ATOM 808 CB GLN A 55 -6.639 7.725 -15.121 1.00 0.00 C ATOM 809 CG GLN A 55 -6.975 8.629 -16.296 1.00 0.00 C ATOM 810 CD GLN A 55 -8.343 8.335 -16.884 1.00 0.00 C ATOM 811 OE1 GLN A 55 -9.003 9.223 -17.422 1.00 0.00 O ATOM 812 NE2 GLN A 55 -8.784 7.089 -16.783 1.00 0.00 N ATOM 0 H GLN A 55 -4.088 7.096 -15.668 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.431 9.181 -14.088 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.526 6.703 -15.482 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.476 7.726 -14.423 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.938 9.669 -15.972 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.217 8.510 -17.070 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.208 6.379 -16.330 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.699 6.840 -17.158 1.00 0.00 H new ATOM 821 N CYS A 56 -5.651 7.911 -12.010 1.00 0.00 N ATOM 822 CA CYS A 56 -5.844 7.197 -10.770 1.00 0.00 C ATOM 823 C CYS A 56 -7.326 6.889 -10.632 1.00 0.00 C ATOM 824 O CYS A 56 -8.167 7.768 -10.849 1.00 0.00 O ATOM 825 CB CYS A 56 -5.350 8.032 -9.585 1.00 0.00 C ATOM 826 SG CYS A 56 -5.978 9.727 -9.563 1.00 0.00 S ATOM 0 H CYS A 56 -5.852 8.910 -11.954 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.270 6.271 -10.776 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.641 7.536 -8.659 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.261 8.060 -9.603 1.00 0.00 H new ATOM 0 HG CYS A 56 -6.736 9.922 -10.601 1.00 0.00 H new ATOM 832 N LYS A 57 -7.658 5.655 -10.298 1.00 0.00 N ATOM 833 CA LYS A 57 -9.037 5.251 -10.253 1.00 0.00 C ATOM 834 C LYS A 57 -9.594 5.605 -8.882 1.00 0.00 C ATOM 835 O LYS A 57 -9.387 6.724 -8.410 1.00 0.00 O ATOM 836 CB LYS A 57 -9.133 3.750 -10.557 1.00 0.00 C ATOM 837 CG LYS A 57 -10.438 3.331 -11.219 1.00 0.00 C ATOM 838 CD LYS A 57 -10.424 1.853 -11.583 1.00 0.00 C ATOM 839 CE LYS A 57 -11.594 1.482 -12.483 1.00 0.00 C ATOM 840 NZ LYS A 57 -11.533 2.180 -13.796 1.00 0.00 N ATOM 0 H LYS A 57 -6.989 4.924 -10.056 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.631 5.771 -11.005 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.303 3.468 -11.205 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.015 3.194 -9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.271 3.534 -10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.601 3.927 -12.117 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.488 1.611 -12.086 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.461 1.254 -10.673 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.598 0.404 -12.646 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.529 1.733 -11.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.134 1.681 -14.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.872 3.157 -13.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.551 2.191 -14.138 1.00 0.00 H new ATOM 854 N LEU A 58 -10.272 4.658 -8.252 1.00 0.00 N ATOM 855 CA LEU A 58 -10.852 4.837 -6.917 1.00 0.00 C ATOM 856 C LEU A 58 -11.992 5.863 -6.936 1.00 0.00 C ATOM 857 O LEU A 58 -13.139 5.543 -6.630 1.00 0.00 O ATOM 858 CB LEU A 58 -9.770 5.262 -5.916 1.00 0.00 C ATOM 859 CG LEU A 58 -9.968 4.749 -4.493 1.00 0.00 C ATOM 860 CD1 LEU A 58 -9.844 3.236 -4.466 1.00 0.00 C ATOM 861 CD2 LEU A 58 -8.958 5.382 -3.549 1.00 0.00 C ATOM 0 H LEU A 58 -10.440 3.734 -8.650 1.00 0.00 H new ATOM 0 HA LEU A 58 -11.268 3.879 -6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.803 4.914 -6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.728 6.351 -5.891 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.967 5.027 -4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.987 2.877 -3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.602 2.797 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.854 2.946 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.116 5.003 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.948 5.133 -3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -9.084 6.465 -3.554 1.00 0.00 H new ATOM 873 N CYS A 59 -11.662 7.094 -7.297 1.00 0.00 N ATOM 874 CA CYS A 59 -12.647 8.157 -7.404 1.00 0.00 C ATOM 875 C CYS A 59 -12.742 8.643 -8.847 1.00 0.00 C ATOM 876 O CYS A 59 -13.686 9.345 -9.215 1.00 0.00 O ATOM 877 CB CYS A 59 -12.280 9.315 -6.476 1.00 0.00 C ATOM 878 SG CYS A 59 -10.648 10.027 -6.790 1.00 0.00 S ATOM 0 H CYS A 59 -10.710 7.382 -7.523 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.619 7.766 -7.103 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -13.031 10.098 -6.576 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.319 8.966 -5.444 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.431 11.000 -5.956 1.00 0.00 H new ATOM 884 N GLY A 60 -11.757 8.261 -9.660 1.00 0.00 N ATOM 885 CA GLY A 60 -11.747 8.655 -11.059 1.00 0.00 C ATOM 886 C GLY A 60 -11.179 10.044 -11.272 1.00 0.00 C ATOM 887 O GLY A 60 -11.909 10.976 -11.609 1.00 0.00 O ATOM 0 H GLY A 60 -10.966 7.685 -9.373 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.160 7.936 -11.631 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.764 8.619 -11.450 1.00 0.00 H new ATOM 891 N ALA A 61 -9.872 10.181 -11.085 1.00 0.00 N ATOM 892 CA ALA A 61 -9.204 11.467 -11.269 1.00 0.00 C ATOM 893 C ALA A 61 -8.022 11.327 -12.228 1.00 0.00 C ATOM 894 O ALA A 61 -7.329 10.309 -12.218 1.00 0.00 O ATOM 895 CB ALA A 61 -8.740 12.021 -9.930 1.00 0.00 C ATOM 0 H ALA A 61 -9.253 9.420 -10.806 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.918 12.166 -11.704 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.244 12.979 -10.085 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.601 12.159 -9.275 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.042 11.322 -9.469 1.00 0.00 H new ATOM 901 N SER A 62 -7.779 12.353 -13.037 1.00 0.00 N ATOM 902 CA SER A 62 -6.728 12.294 -14.050 1.00 0.00 C ATOM 903 C SER A 62 -5.463 13.027 -13.593 1.00 0.00 C ATOM 904 O SER A 62 -5.530 14.018 -12.865 1.00 0.00 O ATOM 905 CB SER A 62 -7.241 12.882 -15.369 1.00 0.00 C ATOM 906 OG SER A 62 -8.381 12.172 -15.829 1.00 0.00 O ATOM 0 H SER A 62 -8.293 13.234 -13.012 1.00 0.00 H new ATOM 0 HA SER A 62 -6.463 11.248 -14.202 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.494 13.933 -15.230 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.453 12.841 -16.121 1.00 0.00 H new ATOM 0 HG SER A 62 -8.693 12.565 -16.671 1.00 0.00 H new ATOM 912 N VAL A 63 -4.315 12.507 -14.015 1.00 0.00 N ATOM 913 CA VAL A 63 -3.016 13.070 -13.670 1.00 0.00 C ATOM 914 C VAL A 63 -2.148 13.196 -14.926 1.00 0.00 C ATOM 915 O VAL A 63 -2.187 12.328 -15.798 1.00 0.00 O ATOM 916 CB VAL A 63 -2.295 12.174 -12.627 1.00 0.00 C ATOM 917 CG1 VAL A 63 -0.871 12.646 -12.372 1.00 0.00 C ATOM 918 CG2 VAL A 63 -3.078 12.125 -11.321 1.00 0.00 C ATOM 0 H VAL A 63 -4.260 11.679 -14.609 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.173 14.059 -13.238 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.245 11.168 -13.042 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.398 11.995 -11.637 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.305 12.614 -13.303 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.889 13.668 -11.993 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.553 11.491 -10.606 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.170 13.132 -10.914 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.071 11.716 -11.507 1.00 0.00 H new ATOM 928 N PRO A 64 -1.396 14.303 -15.059 1.00 0.00 N ATOM 929 CA PRO A 64 -0.409 14.466 -16.133 1.00 0.00 C ATOM 930 C PRO A 64 0.552 13.279 -16.213 1.00 0.00 C ATOM 931 O PRO A 64 1.156 12.885 -15.213 1.00 0.00 O ATOM 932 CB PRO A 64 0.337 15.740 -15.735 1.00 0.00 C ATOM 933 CG PRO A 64 -0.648 16.515 -14.931 1.00 0.00 C ATOM 934 CD PRO A 64 -1.472 15.497 -14.196 1.00 0.00 C ATOM 0 HA PRO A 64 -0.874 14.523 -17.117 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.231 15.511 -15.154 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.661 16.300 -16.612 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.143 17.185 -14.235 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.274 17.135 -15.573 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.072 15.299 -13.202 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.501 15.832 -14.065 1.00 0.00 H new ATOM 942 N TRP A 65 0.690 12.723 -17.410 1.00 0.00 N ATOM 943 CA TRP A 65 1.484 11.515 -17.622 1.00 0.00 C ATOM 944 C TRP A 65 2.969 11.735 -17.327 1.00 0.00 C ATOM 945 O TRP A 65 3.617 10.895 -16.702 1.00 0.00 O ATOM 946 CB TRP A 65 1.280 11.015 -19.061 1.00 0.00 C ATOM 947 CG TRP A 65 2.275 9.984 -19.512 1.00 0.00 C ATOM 948 CD1 TRP A 65 3.036 10.035 -20.643 1.00 0.00 C ATOM 949 CD2 TRP A 65 2.623 8.758 -18.851 1.00 0.00 C ATOM 950 NE1 TRP A 65 3.835 8.922 -20.727 1.00 0.00 N ATOM 951 CE2 TRP A 65 3.604 8.127 -19.638 1.00 0.00 C ATOM 952 CE3 TRP A 65 2.208 8.140 -17.668 1.00 0.00 C ATOM 953 CZ2 TRP A 65 4.170 6.904 -19.287 1.00 0.00 C ATOM 954 CZ3 TRP A 65 2.771 6.927 -17.319 1.00 0.00 C ATOM 955 CH2 TRP A 65 3.746 6.321 -18.124 1.00 0.00 C ATOM 0 H TRP A 65 0.259 13.092 -18.257 1.00 0.00 H new ATOM 0 HA TRP A 65 1.138 10.757 -16.919 1.00 0.00 H new ATOM 0 HB2 TRP A 65 0.278 10.596 -19.147 1.00 0.00 H new ATOM 0 HB3 TRP A 65 1.328 11.868 -19.738 1.00 0.00 H new ATOM 0 HD1 TRP A 65 3.013 10.835 -21.368 1.00 0.00 H new ATOM 0 HE1 TRP A 65 4.494 8.720 -21.479 1.00 0.00 H new ATOM 0 HE3 TRP A 65 1.462 8.602 -17.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 4.916 6.433 -19.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 2.454 6.437 -16.410 1.00 0.00 H new ATOM 0 HH2 TRP A 65 4.171 5.376 -17.820 1.00 0.00 H new ATOM 966 N LEU A 66 3.503 12.869 -17.743 1.00 0.00 N ATOM 967 CA LEU A 66 4.941 13.107 -17.633 1.00 0.00 C ATOM 968 C LEU A 66 5.318 13.715 -16.284 1.00 0.00 C ATOM 969 O LEU A 66 6.281 14.478 -16.177 1.00 0.00 O ATOM 970 CB LEU A 66 5.435 13.999 -18.776 1.00 0.00 C ATOM 971 CG LEU A 66 5.329 13.383 -20.177 1.00 0.00 C ATOM 972 CD1 LEU A 66 3.948 13.620 -20.773 1.00 0.00 C ATOM 973 CD2 LEU A 66 6.414 13.935 -21.084 1.00 0.00 C ATOM 0 H LEU A 66 2.974 13.636 -18.157 1.00 0.00 H new ATOM 0 HA LEU A 66 5.433 12.137 -17.707 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.867 14.929 -18.761 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.477 14.259 -18.589 1.00 0.00 H new ATOM 0 HG LEU A 66 5.473 12.306 -20.089 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.899 13.174 -21.766 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.192 13.165 -20.133 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.763 14.692 -20.847 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.324 13.487 -22.074 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.306 15.017 -21.164 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.393 13.698 -20.667 1.00 0.00 H new ATOM 985 N GLN A 67 4.581 13.350 -15.247 1.00 0.00 N ATOM 986 CA GLN A 67 4.884 13.814 -13.905 1.00 0.00 C ATOM 987 C GLN A 67 4.621 12.690 -12.909 1.00 0.00 C ATOM 988 O GLN A 67 3.748 11.855 -13.134 1.00 0.00 O ATOM 989 CB GLN A 67 4.042 15.046 -13.566 1.00 0.00 C ATOM 990 CG GLN A 67 4.616 15.883 -12.433 1.00 0.00 C ATOM 991 CD GLN A 67 3.860 17.180 -12.220 1.00 0.00 C ATOM 992 OE1 GLN A 67 4.155 18.194 -12.848 1.00 0.00 O ATOM 993 NE2 GLN A 67 2.901 17.170 -11.311 1.00 0.00 N ATOM 0 H GLN A 67 3.770 12.735 -15.310 1.00 0.00 H new ATOM 0 HA GLN A 67 5.935 14.098 -13.849 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.950 15.669 -14.456 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.036 14.725 -13.296 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.597 15.301 -11.512 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.661 16.108 -12.647 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.683 16.309 -10.809 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.378 18.023 -11.112 1.00 0.00 H new ATOM 1002 N THR A 68 5.380 12.669 -11.819 1.00 0.00 N ATOM 1003 CA THR A 68 5.243 11.632 -10.796 1.00 0.00 C ATOM 1004 C THR A 68 3.890 11.723 -10.080 1.00 0.00 C ATOM 1005 O THR A 68 3.534 10.853 -9.284 1.00 0.00 O ATOM 1006 CB THR A 68 6.377 11.726 -9.748 1.00 0.00 C ATOM 1007 OG1 THR A 68 6.293 10.626 -8.834 1.00 0.00 O ATOM 1008 CG2 THR A 68 6.299 13.035 -8.966 1.00 0.00 C ATOM 0 H THR A 68 6.101 13.362 -11.618 1.00 0.00 H new ATOM 0 HA THR A 68 5.307 10.673 -11.311 1.00 0.00 H new ATOM 0 HB THR A 68 7.327 11.694 -10.281 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.357 10.354 -8.735 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.109 13.072 -8.237 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.391 13.876 -9.654 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.342 13.093 -8.448 1.00 0.00 H new ATOM 1016 N GLY A 69 3.153 12.779 -10.376 1.00 0.00 N ATOM 1017 CA GLY A 69 1.881 13.013 -9.737 1.00 0.00 C ATOM 1018 C GLY A 69 1.604 14.488 -9.618 1.00 0.00 C ATOM 1019 O GLY A 69 2.508 15.267 -9.309 1.00 0.00 O ATOM 0 H GLY A 69 3.420 13.488 -11.059 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.087 12.535 -10.311 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.877 12.557 -8.747 1.00 0.00 H new ATOM 1091 N HIS A 74 -8.155 14.335 -3.766 1.00 0.00 N ATOM 1092 CA HIS A 74 -8.899 13.088 -3.763 1.00 0.00 C ATOM 1093 C HIS A 74 -9.878 13.109 -2.603 1.00 0.00 C ATOM 1094 O HIS A 74 -9.859 14.040 -1.799 1.00 0.00 O ATOM 1095 CB HIS A 74 -7.956 11.885 -3.643 1.00 0.00 C ATOM 1096 CG HIS A 74 -7.159 11.607 -4.881 1.00 0.00 C ATOM 1097 ND1 HIS A 74 -5.941 12.197 -5.151 1.00 0.00 N ATOM 1098 CD2 HIS A 74 -7.407 10.776 -5.922 1.00 0.00 C ATOM 1099 CE1 HIS A 74 -5.477 11.740 -6.299 1.00 0.00 C ATOM 1100 NE2 HIS A 74 -6.346 10.877 -6.786 1.00 0.00 N ATOM 0 HA HIS A 74 -9.440 12.989 -4.704 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.270 12.056 -2.813 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -8.543 11.000 -3.395 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.278 10.150 -6.048 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.543 12.025 -6.761 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -6.246 10.367 -7.663 1.00 0.00 H new ATOM 1109 N ALA A 75 -10.724 12.097 -2.510 1.00 0.00 N ATOM 1110 CA ALA A 75 -11.706 12.040 -1.445 1.00 0.00 C ATOM 1111 C ALA A 75 -11.029 11.819 -0.099 1.00 0.00 C ATOM 1112 O ALA A 75 -9.993 11.160 -0.007 1.00 0.00 O ATOM 1113 CB ALA A 75 -12.726 10.944 -1.715 1.00 0.00 C ATOM 0 H ALA A 75 -10.750 11.308 -3.156 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.228 12.996 -1.412 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -13.454 10.917 -0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -13.237 11.147 -2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -12.218 9.982 -1.778 1.00 0.00 H new ATOM 1119 N ASP A 76 -11.628 12.384 0.937 1.00 0.00 N ATOM 1120 CA ASP A 76 -11.140 12.243 2.305 1.00 0.00 C ATOM 1121 C ASP A 76 -11.246 10.790 2.755 1.00 0.00 C ATOM 1122 O ASP A 76 -10.601 10.362 3.718 1.00 0.00 O ATOM 1123 CB ASP A 76 -11.977 13.127 3.237 1.00 0.00 C ATOM 1124 CG ASP A 76 -12.086 14.562 2.759 1.00 0.00 C ATOM 1125 OD1 ASP A 76 -12.826 14.812 1.780 1.00 0.00 O ATOM 1126 OD2 ASP A 76 -11.441 15.447 3.357 1.00 0.00 O ATOM 0 H ASP A 76 -12.469 12.956 0.856 1.00 0.00 H new ATOM 0 HA ASP A 76 -10.095 12.551 2.343 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -12.977 12.704 3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.535 13.115 4.233 1.00 0.00 H new ATOM 1131 N ASP A 77 -12.062 10.045 2.030 1.00 0.00 N ATOM 1132 CA ASP A 77 -12.342 8.650 2.339 1.00 0.00 C ATOM 1133 C ASP A 77 -11.336 7.732 1.641 1.00 0.00 C ATOM 1134 O ASP A 77 -11.359 6.515 1.807 1.00 0.00 O ATOM 1135 CB ASP A 77 -13.774 8.329 1.893 1.00 0.00 C ATOM 1136 CG ASP A 77 -14.304 7.023 2.446 1.00 0.00 C ATOM 1137 OD1 ASP A 77 -14.778 7.012 3.599 1.00 0.00 O ATOM 1138 OD2 ASP A 77 -14.281 6.016 1.716 1.00 0.00 O ATOM 0 H ASP A 77 -12.553 10.391 1.205 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.248 8.483 3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -14.433 9.140 2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.807 8.292 0.804 1.00 0.00 H new ATOM 1143 N CYS A 78 -10.429 8.327 0.871 1.00 0.00 N ATOM 1144 CA CYS A 78 -9.457 7.556 0.112 1.00 0.00 C ATOM 1145 C CYS A 78 -8.255 7.177 0.974 1.00 0.00 C ATOM 1146 O CYS A 78 -7.592 8.043 1.549 1.00 0.00 O ATOM 1147 CB CYS A 78 -8.991 8.341 -1.117 1.00 0.00 C ATOM 1148 SG CYS A 78 -10.287 8.643 -2.342 1.00 0.00 S ATOM 0 H CYS A 78 -10.349 9.338 0.758 1.00 0.00 H new ATOM 0 HA CYS A 78 -9.946 6.638 -0.216 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -8.586 9.299 -0.790 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -8.176 7.797 -1.594 1.00 0.00 H new ATOM 0 HG CYS A 78 -9.755 9.123 -3.427 1.00 0.00 H new ATOM 1154 N PRO A 79 -7.951 5.870 1.050 1.00 0.00 N ATOM 1155 CA PRO A 79 -6.813 5.353 1.826 1.00 0.00 C ATOM 1156 C PRO A 79 -5.473 5.871 1.304 1.00 0.00 C ATOM 1157 O PRO A 79 -4.461 5.826 2.004 1.00 0.00 O ATOM 1158 CB PRO A 79 -6.904 3.832 1.635 1.00 0.00 C ATOM 1159 CG PRO A 79 -8.301 3.577 1.180 1.00 0.00 C ATOM 1160 CD PRO A 79 -8.702 4.789 0.396 1.00 0.00 C ATOM 0 HA PRO A 79 -6.859 5.668 2.868 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.180 3.484 0.898 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -6.691 3.305 2.565 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -8.354 2.678 0.565 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -8.967 3.422 2.029 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.438 4.694 -0.657 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.777 4.961 0.440 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.485 6.378 0.075 1.00 0.00 N ATOM 1169 CA VAL A 80 -4.281 6.899 -0.562 1.00 0.00 C ATOM 1170 C VAL A 80 -3.677 8.038 0.258 1.00 0.00 C ATOM 1171 O VAL A 80 -2.457 8.222 0.282 1.00 0.00 O ATOM 1172 CB VAL A 80 -4.576 7.394 -1.996 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -3.295 7.815 -2.702 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -5.293 6.317 -2.794 1.00 0.00 C ATOM 0 H VAL A 80 -6.323 6.439 -0.503 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.563 6.080 -0.615 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.226 8.266 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.531 8.159 -3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.821 8.623 -2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.615 6.965 -2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.493 6.683 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.666 5.427 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.235 6.068 -2.305 1.00 0.00 H new ATOM 1184 N VAL A 81 -4.531 8.786 0.952 1.00 0.00 N ATOM 1185 CA VAL A 81 -4.074 9.889 1.790 1.00 0.00 C ATOM 1186 C VAL A 81 -3.185 9.367 2.920 1.00 0.00 C ATOM 1187 O VAL A 81 -2.163 9.969 3.249 1.00 0.00 O ATOM 1188 CB VAL A 81 -5.263 10.669 2.393 1.00 0.00 C ATOM 1189 CG1 VAL A 81 -4.780 11.849 3.225 1.00 0.00 C ATOM 1190 CG2 VAL A 81 -6.213 11.135 1.296 1.00 0.00 C ATOM 0 H VAL A 81 -5.542 8.648 0.950 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.501 10.566 1.156 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.807 9.994 3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.639 12.379 3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.152 11.487 4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.203 12.526 2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.043 11.682 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.679 11.787 0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.597 10.270 0.756 1.00 0.00 H new ATOM 1200 N ILE A 82 -3.579 8.232 3.494 1.00 0.00 N ATOM 1201 CA ILE A 82 -2.824 7.608 4.577 1.00 0.00 C ATOM 1202 C ILE A 82 -1.461 7.141 4.083 1.00 0.00 C ATOM 1203 O ILE A 82 -0.438 7.383 4.724 1.00 0.00 O ATOM 1204 CB ILE A 82 -3.587 6.402 5.174 1.00 0.00 C ATOM 1205 CG1 ILE A 82 -4.956 6.846 5.697 1.00 0.00 C ATOM 1206 CG2 ILE A 82 -2.777 5.732 6.282 1.00 0.00 C ATOM 1207 CD1 ILE A 82 -4.880 7.888 6.794 1.00 0.00 C ATOM 0 H ILE A 82 -4.422 7.724 3.225 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.692 8.361 5.354 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.738 5.668 4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.540 7.246 4.868 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.492 5.974 6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.338 4.888 6.683 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.829 5.378 5.877 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.585 6.451 7.078 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.888 8.153 7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.325 7.485 7.641 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.373 8.776 6.417 1.00 0.00 H new ATOM 1219 N ALA A 83 -1.456 6.486 2.928 1.00 0.00 N ATOM 1220 CA ALA A 83 -0.226 5.974 2.338 1.00 0.00 C ATOM 1221 C ALA A 83 0.781 7.097 2.095 1.00 0.00 C ATOM 1222 O ALA A 83 1.983 6.925 2.309 1.00 0.00 O ATOM 1223 CB ALA A 83 -0.535 5.253 1.038 1.00 0.00 C ATOM 0 H ALA A 83 -2.295 6.297 2.379 1.00 0.00 H new ATOM 0 HA ALA A 83 0.221 5.270 3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.390 4.874 0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.211 4.421 1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.006 5.946 0.341 1.00 0.00 H new ATOM 1229 N LYS A 84 0.279 8.250 1.663 1.00 0.00 N ATOM 1230 CA LYS A 84 1.129 9.405 1.406 1.00 0.00 C ATOM 1231 C LYS A 84 1.751 9.929 2.696 1.00 0.00 C ATOM 1232 O LYS A 84 2.914 10.321 2.710 1.00 0.00 O ATOM 1233 CB LYS A 84 0.336 10.508 0.708 1.00 0.00 C ATOM 1234 CG LYS A 84 0.028 10.197 -0.745 1.00 0.00 C ATOM 1235 CD LYS A 84 -0.837 11.276 -1.373 1.00 0.00 C ATOM 1236 CE LYS A 84 -0.938 11.098 -2.879 1.00 0.00 C ATOM 1237 NZ LYS A 84 0.373 11.306 -3.551 1.00 0.00 N ATOM 0 H LYS A 84 -0.713 8.408 1.484 1.00 0.00 H new ATOM 0 HA LYS A 84 1.938 9.087 0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.599 10.669 1.244 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.898 11.440 0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.959 10.104 -1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.481 9.236 -0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.834 11.247 -0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.418 12.257 -1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.306 10.097 -3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.667 11.802 -3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.220 11.479 -4.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.854 12.126 -3.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.963 10.458 -3.430 1.00 0.00 H new ATOM 1251 N GLN A 85 0.978 9.924 3.776 1.00 0.00 N ATOM 1252 CA GLN A 85 1.481 10.336 5.077 1.00 0.00 C ATOM 1253 C GLN A 85 2.673 9.476 5.489 1.00 0.00 C ATOM 1254 O GLN A 85 3.692 9.983 5.964 1.00 0.00 O ATOM 1255 CB GLN A 85 0.374 10.217 6.121 1.00 0.00 C ATOM 1256 CG GLN A 85 -0.803 11.148 5.889 1.00 0.00 C ATOM 1257 CD GLN A 85 -1.865 11.009 6.962 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -1.567 10.690 8.112 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -3.111 11.262 6.601 1.00 0.00 N ATOM 0 H GLN A 85 -0.001 9.638 3.774 1.00 0.00 H new ATOM 0 HA GLN A 85 1.807 11.374 5.010 1.00 0.00 H new ATOM 0 HB2 GLN A 85 0.012 9.189 6.135 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.795 10.420 7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -0.449 12.179 5.862 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.244 10.937 4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.320 11.524 5.638 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.864 11.195 7.286 1.00 0.00 H new ATOM 1268 N ILE A 86 2.534 8.174 5.274 1.00 0.00 N ATOM 1269 CA ILE A 86 3.566 7.209 5.625 1.00 0.00 C ATOM 1270 C ILE A 86 4.856 7.461 4.849 1.00 0.00 C ATOM 1271 O ILE A 86 5.935 7.537 5.439 1.00 0.00 O ATOM 1272 CB ILE A 86 3.079 5.769 5.360 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.811 5.488 6.173 1.00 0.00 C ATOM 1274 CG2 ILE A 86 4.175 4.765 5.697 1.00 0.00 C ATOM 1275 CD1 ILE A 86 1.166 4.154 5.866 1.00 0.00 C ATOM 0 H ILE A 86 1.704 7.758 4.852 1.00 0.00 H new ATOM 0 HA ILE A 86 3.773 7.330 6.688 1.00 0.00 H new ATOM 0 HB ILE A 86 2.841 5.665 4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.057 5.526 7.234 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.088 6.282 5.985 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.815 3.755 5.504 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.051 4.962 5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.444 4.860 6.749 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.275 4.030 6.482 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.887 4.119 4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.871 3.351 6.082 1.00 0.00 H new ATOM 1287 N LEU A 87 4.743 7.613 3.533 1.00 0.00 N ATOM 1288 CA LEU A 87 5.923 7.799 2.693 1.00 0.00 C ATOM 1289 C LEU A 87 6.533 9.185 2.887 1.00 0.00 C ATOM 1290 O LEU A 87 7.682 9.421 2.507 1.00 0.00 O ATOM 1291 CB LEU A 87 5.599 7.528 1.213 1.00 0.00 C ATOM 1292 CG LEU A 87 4.455 8.345 0.598 1.00 0.00 C ATOM 1293 CD1 LEU A 87 4.934 9.720 0.159 1.00 0.00 C ATOM 1294 CD2 LEU A 87 3.843 7.598 -0.578 1.00 0.00 C ATOM 0 H LEU A 87 3.856 7.611 3.029 1.00 0.00 H new ATOM 0 HA LEU A 87 6.670 7.070 3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.500 7.711 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.358 6.470 1.105 1.00 0.00 H new ATOM 0 HG LEU A 87 3.692 8.483 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.101 10.275 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.323 10.262 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.722 9.610 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.033 8.190 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.606 7.428 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.451 6.640 -0.236 1.00 0.00 H new ATOM 1306 N SER A 88 5.768 10.092 3.484 1.00 0.00 N ATOM 1307 CA SER A 88 6.263 11.422 3.788 1.00 0.00 C ATOM 1308 C SER A 88 7.162 11.393 5.020 1.00 0.00 C ATOM 1309 O SER A 88 8.170 12.102 5.069 1.00 0.00 O ATOM 1310 CB SER A 88 5.097 12.383 4.011 1.00 0.00 C ATOM 1311 OG SER A 88 4.332 12.546 2.829 1.00 0.00 O ATOM 0 H SER A 88 4.802 9.927 3.766 1.00 0.00 H new ATOM 0 HA SER A 88 6.851 11.771 2.939 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.459 12.006 4.810 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.478 13.351 4.337 1.00 0.00 H new ATOM 0 HG SER A 88 3.742 11.772 2.712 1.00 0.00 H new ATOM 1317 N SER A 89 6.796 10.563 6.007 1.00 0.00 N ATOM 1318 CA SER A 89 7.558 10.450 7.255 1.00 0.00 C ATOM 1319 C SER A 89 7.578 11.803 7.973 1.00 0.00 C ATOM 1320 O SER A 89 8.490 12.114 8.741 1.00 0.00 O ATOM 1321 CB SER A 89 8.989 9.968 6.950 1.00 0.00 C ATOM 1322 OG SER A 89 9.692 9.612 8.130 1.00 0.00 O ATOM 0 H SER A 89 5.975 9.960 5.963 1.00 0.00 H new ATOM 0 HA SER A 89 7.082 9.720 7.909 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.947 9.109 6.280 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.533 10.755 6.427 1.00 0.00 H new ATOM 0 HG SER A 89 9.203 8.905 8.601 1.00 0.00 H new ATOM 1328 N ARG A 90 6.530 12.582 7.746 1.00 0.00 N ATOM 1329 CA ARG A 90 6.482 13.966 8.189 1.00 0.00 C ATOM 1330 C ARG A 90 5.090 14.310 8.710 1.00 0.00 C ATOM 1331 O ARG A 90 4.093 13.846 8.154 1.00 0.00 O ATOM 1332 CB ARG A 90 6.853 14.871 7.005 1.00 0.00 C ATOM 1333 CG ARG A 90 6.724 16.363 7.272 1.00 0.00 C ATOM 1334 CD ARG A 90 7.161 17.173 6.062 1.00 0.00 C ATOM 1335 NE ARG A 90 8.578 16.962 5.756 1.00 0.00 N ATOM 1336 CZ ARG A 90 9.042 16.571 4.567 1.00 0.00 C ATOM 1337 NH1 ARG A 90 8.203 16.322 3.570 1.00 0.00 N ATOM 1338 NH2 ARG A 90 10.352 16.424 4.376 1.00 0.00 N ATOM 0 H ARG A 90 5.693 12.273 7.252 1.00 0.00 H new ATOM 0 HA ARG A 90 7.190 14.118 9.004 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.881 14.657 6.712 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.219 14.613 6.157 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.690 16.603 7.521 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.331 16.635 8.135 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.556 16.894 5.199 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.982 18.232 6.248 1.00 0.00 H new ATOM 0 HE ARG A 90 9.255 17.125 6.501 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.198 16.429 3.710 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.563 16.024 2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.003 16.610 5.139 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.704 16.125 3.467 1.00 0.00 H new ATOM 1710 N TYR B 18 1.861 7.777 14.284 1.00 0.00 N ATOM 1711 CA TYR B 18 3.076 7.422 13.560 1.00 0.00 C ATOM 1712 C TYR B 18 3.554 6.035 14.003 1.00 0.00 C ATOM 1713 O TYR B 18 2.948 5.422 14.882 1.00 0.00 O ATOM 1714 CB TYR B 18 4.158 8.487 13.790 1.00 0.00 C ATOM 1715 CG TYR B 18 5.295 8.441 12.787 1.00 0.00 C ATOM 1716 CD1 TYR B 18 5.042 8.316 11.425 1.00 0.00 C ATOM 1717 CD2 TYR B 18 6.617 8.517 13.205 1.00 0.00 C ATOM 1718 CE1 TYR B 18 6.077 8.266 10.511 1.00 0.00 C ATOM 1719 CE2 TYR B 18 7.656 8.466 12.295 1.00 0.00 C ATOM 1720 CZ TYR B 18 7.380 8.343 10.950 1.00 0.00 C ATOM 1721 OH TYR B 18 8.413 8.289 10.044 1.00 0.00 O ATOM 0 HA TYR B 18 2.866 7.385 12.491 1.00 0.00 H new ATOM 0 HB2 TYR B 18 3.695 9.473 13.754 1.00 0.00 H new ATOM 0 HB3 TYR B 18 4.567 8.363 14.793 1.00 0.00 H new ATOM 0 HD1 TYR B 18 4.021 8.257 11.077 1.00 0.00 H new ATOM 0 HD2 TYR B 18 6.837 8.618 14.258 1.00 0.00 H new ATOM 0 HE1 TYR B 18 5.865 8.167 9.457 1.00 0.00 H new ATOM 0 HE2 TYR B 18 8.679 8.522 12.636 1.00 0.00 H new ATOM 0 HH TYR B 18 9.268 8.358 10.518 1.00 0.00 H new ATOM 1731 N PHE B 19 4.645 5.550 13.417 1.00 0.00 N ATOM 1732 CA PHE B 19 5.080 4.169 13.617 1.00 0.00 C ATOM 1733 C PHE B 19 5.924 3.991 14.879 1.00 0.00 C ATOM 1734 O PHE B 19 6.468 2.909 15.112 1.00 0.00 O ATOM 1735 CB PHE B 19 5.865 3.683 12.396 1.00 0.00 C ATOM 1736 CG PHE B 19 5.013 3.462 11.179 1.00 0.00 C ATOM 1737 CD1 PHE B 19 4.614 4.528 10.389 1.00 0.00 C ATOM 1738 CD2 PHE B 19 4.615 2.184 10.828 1.00 0.00 C ATOM 1739 CE1 PHE B 19 3.835 4.321 9.268 1.00 0.00 C ATOM 1740 CE2 PHE B 19 3.835 1.971 9.709 1.00 0.00 C ATOM 1741 CZ PHE B 19 3.442 3.042 8.929 1.00 0.00 C ATOM 0 H PHE B 19 5.246 6.094 12.798 1.00 0.00 H new ATOM 0 HA PHE B 19 4.179 3.569 13.745 1.00 0.00 H new ATOM 0 HB2 PHE B 19 6.639 4.413 12.159 1.00 0.00 H new ATOM 0 HB3 PHE B 19 6.372 2.751 12.648 1.00 0.00 H new ATOM 0 HD1 PHE B 19 4.915 5.531 10.653 1.00 0.00 H new ATOM 0 HD2 PHE B 19 4.918 1.344 11.436 1.00 0.00 H new ATOM 0 HE1 PHE B 19 3.533 5.159 8.657 1.00 0.00 H new ATOM 0 HE2 PHE B 19 3.532 0.969 9.444 1.00 0.00 H new ATOM 0 HZ PHE B 19 2.828 2.878 8.055 1.00 0.00 H new ATOM 1751 N GLN B 20 6.024 5.034 15.694 1.00 0.00 N ATOM 1752 CA GLN B 20 6.773 4.942 16.944 1.00 0.00 C ATOM 1753 C GLN B 20 6.003 4.101 17.958 1.00 0.00 C ATOM 1754 O GLN B 20 6.582 3.508 18.873 1.00 0.00 O ATOM 1755 CB GLN B 20 7.043 6.333 17.520 1.00 0.00 C ATOM 1756 CG GLN B 20 8.017 6.314 18.684 1.00 0.00 C ATOM 1757 CD GLN B 20 8.141 7.651 19.381 1.00 0.00 C ATOM 1758 OE1 GLN B 20 7.185 8.424 19.453 1.00 0.00 O ATOM 1759 NE2 GLN B 20 9.327 7.936 19.888 1.00 0.00 N ATOM 0 H GLN B 20 5.601 5.945 15.516 1.00 0.00 H new ATOM 0 HA GLN B 20 7.729 4.463 16.734 1.00 0.00 H new ATOM 0 HB2 GLN B 20 7.438 6.976 16.733 1.00 0.00 H new ATOM 0 HB3 GLN B 20 6.101 6.773 17.848 1.00 0.00 H new ATOM 0 HG2 GLN B 20 7.695 5.564 19.406 1.00 0.00 H new ATOM 0 HG3 GLN B 20 8.999 6.008 18.323 1.00 0.00 H new ATOM 0 HE21 GLN B 20 10.091 7.266 19.805 1.00 0.00 H new ATOM 0 HE22 GLN B 20 9.478 8.826 20.362 1.00 0.00 H new ATOM 1768 N GLY B 21 4.694 4.059 17.781 1.00 0.00 N ATOM 1769 CA GLY B 21 3.837 3.291 18.654 1.00 0.00 C ATOM 1770 C GLY B 21 2.407 3.340 18.177 1.00 0.00 C ATOM 1771 O GLY B 21 1.815 4.416 18.097 1.00 0.00 O ATOM 0 H GLY B 21 4.203 4.552 17.035 1.00 0.00 H new ATOM 0 HA2 GLY B 21 4.179 2.256 18.689 1.00 0.00 H new ATOM 0 HA3 GLY B 21 3.900 3.682 19.670 1.00 0.00 H new ATOM 1775 N MET B 22 1.853 2.186 17.843 1.00 0.00 N ATOM 1776 CA MET B 22 0.509 2.124 17.289 1.00 0.00 C ATOM 1777 C MET B 22 -0.426 1.342 18.196 1.00 0.00 C ATOM 1778 O MET B 22 -0.020 0.839 19.241 1.00 0.00 O ATOM 1779 CB MET B 22 0.522 1.502 15.891 1.00 0.00 C ATOM 1780 CG MET B 22 1.010 2.453 14.813 1.00 0.00 C ATOM 1781 SD MET B 22 0.866 1.754 13.160 1.00 0.00 S ATOM 1782 CE MET B 22 1.202 3.197 12.154 1.00 0.00 C ATOM 0 H MET B 22 2.312 1.281 17.945 1.00 0.00 H new ATOM 0 HA MET B 22 0.140 3.147 17.214 1.00 0.00 H new ATOM 0 HB2 MET B 22 1.159 0.618 15.901 1.00 0.00 H new ATOM 0 HB3 MET B 22 -0.485 1.167 15.641 1.00 0.00 H new ATOM 0 HG2 MET B 22 0.437 3.379 14.864 1.00 0.00 H new ATOM 0 HG3 MET B 22 2.051 2.711 15.005 1.00 0.00 H new ATOM 0 HE1 MET B 22 1.150 2.926 11.100 1.00 0.00 H new ATOM 0 HE2 MET B 22 0.463 3.969 12.367 1.00 0.00 H new ATOM 0 HE3 MET B 22 2.198 3.576 12.382 1.00 0.00 H new ATOM 1792 N THR B 23 -1.677 1.241 17.777 1.00 0.00 N ATOM 1793 CA THR B 23 -2.700 0.579 18.565 1.00 0.00 C ATOM 1794 C THR B 23 -3.373 -0.523 17.739 1.00 0.00 C ATOM 1795 O THR B 23 -3.021 -0.736 16.579 1.00 0.00 O ATOM 1796 CB THR B 23 -3.747 1.605 19.071 1.00 0.00 C ATOM 1797 OG1 THR B 23 -4.671 0.986 19.977 1.00 0.00 O ATOM 1798 CG2 THR B 23 -4.507 2.233 17.909 1.00 0.00 C ATOM 0 H THR B 23 -2.009 1.613 16.887 1.00 0.00 H new ATOM 0 HA THR B 23 -2.229 0.120 19.434 1.00 0.00 H new ATOM 0 HB THR B 23 -3.207 2.391 19.599 1.00 0.00 H new ATOM 0 HG1 THR B 23 -5.322 1.651 20.286 1.00 0.00 H new ATOM 0 HG21 THR B 23 -5.234 2.948 18.294 1.00 0.00 H new ATOM 0 HG22 THR B 23 -3.806 2.747 17.251 1.00 0.00 H new ATOM 0 HG23 THR B 23 -5.025 1.454 17.350 1.00 0.00 H new ATOM 1806 N ASP B 24 -4.347 -1.199 18.335 1.00 0.00 N ATOM 1807 CA ASP B 24 -4.984 -2.364 17.722 1.00 0.00 C ATOM 1808 C ASP B 24 -5.713 -1.998 16.429 1.00 0.00 C ATOM 1809 O ASP B 24 -5.561 -2.670 15.408 1.00 0.00 O ATOM 1810 CB ASP B 24 -5.959 -2.998 18.714 1.00 0.00 C ATOM 1811 CG ASP B 24 -6.552 -4.301 18.211 1.00 0.00 C ATOM 1812 OD1 ASP B 24 -5.897 -5.357 18.359 1.00 0.00 O ATOM 1813 OD2 ASP B 24 -7.688 -4.281 17.690 1.00 0.00 O ATOM 0 H ASP B 24 -4.719 -0.958 19.254 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.202 -3.079 17.466 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -5.443 -3.180 19.657 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -6.765 -2.295 18.923 1.00 0.00 H new ATOM 1818 N THR B 25 -6.485 -0.917 16.468 1.00 0.00 N ATOM 1819 CA THR B 25 -7.274 -0.492 15.313 1.00 0.00 C ATOM 1820 C THR B 25 -6.381 -0.024 14.150 1.00 0.00 C ATOM 1821 O THR B 25 -6.827 0.041 13.005 1.00 0.00 O ATOM 1822 CB THR B 25 -8.257 0.640 15.705 1.00 0.00 C ATOM 1823 OG1 THR B 25 -8.987 0.269 16.884 1.00 0.00 O ATOM 1824 CG2 THR B 25 -9.244 0.930 14.583 1.00 0.00 C ATOM 0 H THR B 25 -6.582 -0.317 17.287 1.00 0.00 H new ATOM 0 HA THR B 25 -7.841 -1.360 14.977 1.00 0.00 H new ATOM 0 HB THR B 25 -7.669 1.538 15.895 1.00 0.00 H new ATOM 0 HG1 THR B 25 -9.605 0.990 17.127 1.00 0.00 H new ATOM 0 HG21 THR B 25 -9.919 1.729 14.890 1.00 0.00 H new ATOM 0 HG22 THR B 25 -8.700 1.238 13.690 1.00 0.00 H new ATOM 0 HG23 THR B 25 -9.821 0.031 14.364 1.00 0.00 H new ATOM 1832 N ALA B 26 -5.110 0.261 14.438 1.00 0.00 N ATOM 1833 CA ALA B 26 -4.185 0.760 13.415 1.00 0.00 C ATOM 1834 C ALA B 26 -4.003 -0.252 12.291 1.00 0.00 C ATOM 1835 O ALA B 26 -3.803 0.120 11.134 1.00 0.00 O ATOM 1836 CB ALA B 26 -2.838 1.107 14.033 1.00 0.00 C ATOM 0 H ALA B 26 -4.698 0.156 15.365 1.00 0.00 H new ATOM 0 HA ALA B 26 -4.620 1.664 12.989 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -2.166 1.475 13.258 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -2.974 1.878 14.792 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -2.408 0.217 14.493 1.00 0.00 H new ATOM 1842 N ALA B 27 -4.101 -1.530 12.638 1.00 0.00 N ATOM 1843 CA ALA B 27 -3.943 -2.611 11.673 1.00 0.00 C ATOM 1844 C ALA B 27 -5.001 -2.535 10.575 1.00 0.00 C ATOM 1845 O ALA B 27 -4.769 -2.954 9.439 1.00 0.00 O ATOM 1846 CB ALA B 27 -4.013 -3.954 12.388 1.00 0.00 C ATOM 0 H ALA B 27 -4.291 -1.845 13.590 1.00 0.00 H new ATOM 0 HA ALA B 27 -2.967 -2.507 11.198 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -3.894 -4.759 11.663 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -3.216 -4.013 13.129 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -4.979 -4.052 12.884 1.00 0.00 H new ATOM 1852 N GLU B 28 -6.156 -1.976 10.910 1.00 0.00 N ATOM 1853 CA GLU B 28 -7.261 -1.902 9.973 1.00 0.00 C ATOM 1854 C GLU B 28 -6.968 -0.895 8.866 1.00 0.00 C ATOM 1855 O GLU B 28 -7.268 -1.143 7.698 1.00 0.00 O ATOM 1856 CB GLU B 28 -8.548 -1.532 10.706 1.00 0.00 C ATOM 1857 CG GLU B 28 -9.793 -1.656 9.845 1.00 0.00 C ATOM 1858 CD GLU B 28 -11.062 -1.415 10.631 1.00 0.00 C ATOM 1859 OE1 GLU B 28 -11.290 -2.130 11.627 1.00 0.00 O ATOM 1860 OE2 GLU B 28 -11.848 -0.526 10.246 1.00 0.00 O ATOM 0 H GLU B 28 -6.349 -1.568 11.825 1.00 0.00 H new ATOM 0 HA GLU B 28 -7.388 -2.882 9.513 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -8.656 -2.173 11.581 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -8.468 -0.508 11.070 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -9.736 -0.942 9.023 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -9.827 -2.651 9.401 1.00 0.00 H new ATOM 1867 N ASP B 29 -6.366 0.233 9.228 1.00 0.00 N ATOM 1868 CA ASP B 29 -6.012 1.254 8.242 1.00 0.00 C ATOM 1869 C ASP B 29 -4.856 0.779 7.375 1.00 0.00 C ATOM 1870 O ASP B 29 -4.770 1.123 6.195 1.00 0.00 O ATOM 1871 CB ASP B 29 -5.665 2.587 8.909 1.00 0.00 C ATOM 1872 CG ASP B 29 -6.894 3.439 9.164 1.00 0.00 C ATOM 1873 OD1 ASP B 29 -7.523 3.289 10.234 1.00 0.00 O ATOM 1874 OD2 ASP B 29 -7.243 4.264 8.293 1.00 0.00 O ATOM 0 H ASP B 29 -6.114 0.465 10.189 1.00 0.00 H new ATOM 0 HA ASP B 29 -6.885 1.417 7.609 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -5.155 2.397 9.853 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -4.969 3.137 8.276 1.00 0.00 H new ATOM 1879 N VAL B 30 -3.975 -0.022 7.960 1.00 0.00 N ATOM 1880 CA VAL B 30 -2.905 -0.655 7.195 1.00 0.00 C ATOM 1881 C VAL B 30 -3.503 -1.582 6.135 1.00 0.00 C ATOM 1882 O VAL B 30 -3.059 -1.609 4.987 1.00 0.00 O ATOM 1883 CB VAL B 30 -1.945 -1.457 8.102 1.00 0.00 C ATOM 1884 CG1 VAL B 30 -0.837 -2.107 7.283 1.00 0.00 C ATOM 1885 CG2 VAL B 30 -1.354 -0.560 9.180 1.00 0.00 C ATOM 0 H VAL B 30 -3.978 -0.249 8.954 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.329 0.137 6.716 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.519 -2.248 8.585 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -0.175 -2.665 7.945 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -1.276 -2.786 6.552 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -0.266 -1.336 6.766 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.681 -1.142 9.809 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.801 0.254 8.713 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -2.157 -0.149 9.792 1.00 0.00 H new ATOM 1895 N ARG B 31 -4.526 -2.331 6.526 1.00 0.00 N ATOM 1896 CA ARG B 31 -5.261 -3.170 5.587 1.00 0.00 C ATOM 1897 C ARG B 31 -5.969 -2.307 4.548 1.00 0.00 C ATOM 1898 O ARG B 31 -6.001 -2.641 3.364 1.00 0.00 O ATOM 1899 CB ARG B 31 -6.289 -4.035 6.321 1.00 0.00 C ATOM 1900 CG ARG B 31 -7.264 -4.741 5.388 1.00 0.00 C ATOM 1901 CD ARG B 31 -8.305 -5.527 6.159 1.00 0.00 C ATOM 1902 NE ARG B 31 -7.710 -6.643 6.881 1.00 0.00 N ATOM 1903 CZ ARG B 31 -8.337 -7.349 7.814 1.00 0.00 C ATOM 1904 NH1 ARG B 31 -9.589 -7.060 8.158 1.00 0.00 N ATOM 1905 NH2 ARG B 31 -7.705 -8.343 8.402 1.00 0.00 N ATOM 0 H ARG B 31 -4.866 -2.375 7.487 1.00 0.00 H new ATOM 0 HA ARG B 31 -4.546 -3.823 5.086 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -5.765 -4.781 6.918 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -6.850 -3.409 7.014 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -7.759 -4.005 4.754 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -6.715 -5.413 4.728 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -8.812 -4.867 6.863 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -9.063 -5.901 5.470 1.00 0.00 H new ATOM 0 HE ARG B 31 -6.749 -6.899 6.655 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -10.078 -6.289 7.703 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -10.060 -7.610 8.876 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -6.744 -8.563 8.139 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -8.176 -8.893 9.120 1.00 0.00 H new ATOM 1919 N LYS B 32 -6.523 -1.196 5.011 1.00 0.00 N ATOM 1920 CA LYS B 32 -7.303 -0.290 4.175 1.00 0.00 C ATOM 1921 C LYS B 32 -6.528 0.128 2.923 1.00 0.00 C ATOM 1922 O LYS B 32 -7.063 0.081 1.812 1.00 0.00 O ATOM 1923 CB LYS B 32 -7.695 0.945 4.993 1.00 0.00 C ATOM 1924 CG LYS B 32 -8.645 1.891 4.278 1.00 0.00 C ATOM 1925 CD LYS B 32 -8.868 3.165 5.083 1.00 0.00 C ATOM 1926 CE LYS B 32 -9.522 2.880 6.428 1.00 0.00 C ATOM 1927 NZ LYS B 32 -9.664 4.114 7.248 1.00 0.00 N ATOM 0 H LYS B 32 -6.445 -0.894 5.982 1.00 0.00 H new ATOM 0 HA LYS B 32 -8.200 -0.813 3.845 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -8.158 0.618 5.924 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -6.791 1.491 5.262 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -8.241 2.144 3.298 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -9.600 1.393 4.110 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -7.913 3.665 5.243 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -9.495 3.850 4.512 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -10.504 2.436 6.267 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -8.926 2.148 6.974 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -10.144 3.884 8.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -8.722 4.506 7.452 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -10.225 4.816 6.725 1.00 0.00 H new ATOM 1941 N ILE B 33 -5.270 0.517 3.103 1.00 0.00 N ATOM 1942 CA ILE B 33 -4.451 0.979 1.986 1.00 0.00 C ATOM 1943 C ILE B 33 -4.016 -0.181 1.088 1.00 0.00 C ATOM 1944 O ILE B 33 -4.001 -0.055 -0.138 1.00 0.00 O ATOM 1945 CB ILE B 33 -3.206 1.764 2.467 1.00 0.00 C ATOM 1946 CG1 ILE B 33 -2.302 0.888 3.341 1.00 0.00 C ATOM 1947 CG2 ILE B 33 -3.634 3.007 3.232 1.00 0.00 C ATOM 1948 CD1 ILE B 33 -1.024 1.570 3.778 1.00 0.00 C ATOM 0 H ILE B 33 -4.797 0.522 4.006 1.00 0.00 H new ATOM 0 HA ILE B 33 -5.079 1.654 1.404 1.00 0.00 H new ATOM 0 HB ILE B 33 -2.635 2.065 1.589 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -2.858 0.579 4.226 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -2.049 -0.018 2.791 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -2.750 3.551 3.565 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -4.230 3.647 2.582 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -4.228 2.715 4.098 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -0.438 0.886 4.393 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -0.445 1.855 2.900 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -1.267 2.461 4.357 1.00 0.00 H new ATOM 1960 N ALA B 34 -3.691 -1.316 1.699 1.00 0.00 N ATOM 1961 CA ALA B 34 -3.196 -2.469 0.955 1.00 0.00 C ATOM 1962 C ALA B 34 -4.310 -3.139 0.159 1.00 0.00 C ATOM 1963 O ALA B 34 -4.092 -3.611 -0.956 1.00 0.00 O ATOM 1964 CB ALA B 34 -2.550 -3.465 1.903 1.00 0.00 C ATOM 0 H ALA B 34 -3.761 -1.462 2.706 1.00 0.00 H new ATOM 0 HA ALA B 34 -2.448 -2.116 0.245 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -2.184 -4.322 1.337 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -1.717 -2.988 2.419 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -3.285 -3.801 2.634 1.00 0.00 H new ATOM 1970 N THR B 35 -5.506 -3.172 0.728 1.00 0.00 N ATOM 1971 CA THR B 35 -6.637 -3.811 0.074 1.00 0.00 C ATOM 1972 C THR B 35 -7.158 -2.946 -1.068 1.00 0.00 C ATOM 1973 O THR B 35 -7.697 -3.460 -2.048 1.00 0.00 O ATOM 1974 CB THR B 35 -7.774 -4.099 1.074 1.00 0.00 C ATOM 1975 OG1 THR B 35 -7.245 -4.750 2.233 1.00 0.00 O ATOM 1976 CG2 THR B 35 -8.846 -4.983 0.454 1.00 0.00 C ATOM 0 H THR B 35 -5.718 -2.765 1.639 1.00 0.00 H new ATOM 0 HA THR B 35 -6.287 -4.761 -0.331 1.00 0.00 H new ATOM 0 HB THR B 35 -8.226 -3.146 1.350 1.00 0.00 H new ATOM 0 HG1 THR B 35 -6.799 -4.090 2.804 1.00 0.00 H new ATOM 0 HG21 THR B 35 -9.633 -5.167 1.185 1.00 0.00 H new ATOM 0 HG22 THR B 35 -9.270 -4.484 -0.418 1.00 0.00 H new ATOM 0 HG23 THR B 35 -8.404 -5.932 0.150 1.00 0.00 H new ATOM 1984 N ALA B 36 -7.001 -1.627 -0.938 1.00 0.00 N ATOM 1985 CA ALA B 36 -7.391 -0.704 -1.999 1.00 0.00 C ATOM 1986 C ALA B 36 -6.698 -1.091 -3.299 1.00 0.00 C ATOM 1987 O ALA B 36 -7.306 -1.085 -4.372 1.00 0.00 O ATOM 1988 CB ALA B 36 -7.051 0.728 -1.615 1.00 0.00 C ATOM 0 H ALA B 36 -6.608 -1.178 -0.111 1.00 0.00 H new ATOM 0 HA ALA B 36 -8.470 -0.767 -2.143 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -7.349 1.401 -2.419 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -7.582 0.996 -0.702 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -5.977 0.815 -1.449 1.00 0.00 H new ATOM 1994 N LEU B 37 -5.426 -1.452 -3.177 1.00 0.00 N ATOM 1995 CA LEU B 37 -4.641 -1.964 -4.289 1.00 0.00 C ATOM 1996 C LEU B 37 -5.332 -3.164 -4.937 1.00 0.00 C ATOM 1997 O LEU B 37 -5.557 -3.186 -6.146 1.00 0.00 O ATOM 1998 CB LEU B 37 -3.242 -2.339 -3.777 1.00 0.00 C ATOM 1999 CG LEU B 37 -2.630 -3.636 -4.317 1.00 0.00 C ATOM 2000 CD1 LEU B 37 -2.256 -3.503 -5.788 1.00 0.00 C ATOM 2001 CD2 LEU B 37 -1.409 -4.023 -3.500 1.00 0.00 C ATOM 0 H LEU B 37 -4.910 -1.397 -2.299 1.00 0.00 H new ATOM 0 HA LEU B 37 -4.549 -1.194 -5.055 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.563 -1.520 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -3.287 -2.412 -2.690 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.381 -4.421 -4.230 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -1.825 -4.440 -6.140 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.148 -3.273 -6.371 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -1.527 -2.701 -5.907 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -0.985 -4.946 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.666 -3.228 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -1.700 -4.173 -2.460 1.00 0.00 H new ATOM 2013 N LEU B 38 -5.697 -4.140 -4.123 1.00 0.00 N ATOM 2014 CA LEU B 38 -6.297 -5.370 -4.618 1.00 0.00 C ATOM 2015 C LEU B 38 -7.626 -5.084 -5.323 1.00 0.00 C ATOM 2016 O LEU B 38 -8.004 -5.768 -6.272 1.00 0.00 O ATOM 2017 CB LEU B 38 -6.495 -6.343 -3.443 1.00 0.00 C ATOM 2018 CG LEU B 38 -6.820 -7.796 -3.810 1.00 0.00 C ATOM 2019 CD1 LEU B 38 -6.375 -8.726 -2.691 1.00 0.00 C ATOM 2020 CD2 LEU B 38 -8.310 -7.977 -4.070 1.00 0.00 C ATOM 0 H LEU B 38 -5.588 -4.105 -3.109 1.00 0.00 H new ATOM 0 HA LEU B 38 -5.631 -5.825 -5.351 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -5.588 -6.338 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -7.299 -5.961 -2.815 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.281 -8.043 -4.725 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.609 -9.756 -2.959 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.300 -8.626 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -6.896 -8.463 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -8.511 -9.017 -4.328 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.871 -7.711 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -8.616 -7.333 -4.894 1.00 0.00 H new ATOM 2032 N LYS B 39 -8.312 -4.052 -4.867 1.00 0.00 N ATOM 2033 CA LYS B 39 -9.640 -3.742 -5.362 1.00 0.00 C ATOM 2034 C LYS B 39 -9.617 -2.896 -6.638 1.00 0.00 C ATOM 2035 O LYS B 39 -10.309 -3.214 -7.604 1.00 0.00 O ATOM 2036 CB LYS B 39 -10.429 -3.040 -4.260 1.00 0.00 C ATOM 2037 CG LYS B 39 -10.773 -3.962 -3.100 1.00 0.00 C ATOM 2038 CD LYS B 39 -11.034 -3.195 -1.812 1.00 0.00 C ATOM 2039 CE LYS B 39 -12.231 -2.263 -1.921 1.00 0.00 C ATOM 2040 NZ LYS B 39 -12.504 -1.583 -0.627 1.00 0.00 N ATOM 0 H LYS B 39 -7.969 -3.412 -4.151 1.00 0.00 H new ATOM 0 HA LYS B 39 -10.125 -4.680 -5.632 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -9.850 -2.195 -3.887 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -11.349 -2.635 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -11.654 -4.550 -3.355 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -9.955 -4.665 -2.942 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -11.201 -3.902 -0.999 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -10.148 -2.615 -1.553 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -12.045 -1.518 -2.694 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -13.110 -2.830 -2.229 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -13.326 -0.954 -0.732 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -12.704 -2.295 0.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -11.673 -1.024 -0.347 1.00 0.00 H new ATOM 2054 N THR B 40 -8.824 -1.833 -6.656 1.00 0.00 N ATOM 2055 CA THR B 40 -8.896 -0.874 -7.757 1.00 0.00 C ATOM 2056 C THR B 40 -7.695 -0.956 -8.705 1.00 0.00 C ATOM 2057 O THR B 40 -7.684 -0.301 -9.750 1.00 0.00 O ATOM 2058 CB THR B 40 -9.033 0.576 -7.228 1.00 0.00 C ATOM 2059 OG1 THR B 40 -9.383 1.461 -8.298 1.00 0.00 O ATOM 2060 CG2 THR B 40 -7.737 1.054 -6.589 1.00 0.00 C ATOM 0 H THR B 40 -8.135 -1.613 -5.937 1.00 0.00 H new ATOM 0 HA THR B 40 -9.786 -1.144 -8.326 1.00 0.00 H new ATOM 0 HB THR B 40 -9.819 0.580 -6.473 1.00 0.00 H new ATOM 0 HG1 THR B 40 -8.963 1.152 -9.128 1.00 0.00 H new ATOM 0 HG21 THR B 40 -7.864 2.074 -6.227 1.00 0.00 H new ATOM 0 HG22 THR B 40 -7.481 0.402 -5.754 1.00 0.00 H new ATOM 0 HG23 THR B 40 -6.936 1.028 -7.328 1.00 0.00 H new ATOM 2068 N ALA B 41 -6.691 -1.748 -8.356 1.00 0.00 N ATOM 2069 CA ALA B 41 -5.486 -1.827 -9.174 1.00 0.00 C ATOM 2070 C ALA B 41 -5.358 -3.176 -9.873 1.00 0.00 C ATOM 2071 O ALA B 41 -4.492 -3.359 -10.731 1.00 0.00 O ATOM 2072 CB ALA B 41 -4.263 -1.558 -8.319 1.00 0.00 C ATOM 0 H ALA B 41 -6.684 -2.338 -7.524 1.00 0.00 H new ATOM 0 HA ALA B 41 -5.561 -1.066 -9.951 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -3.367 -1.619 -8.937 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -4.336 -0.562 -7.883 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.206 -2.300 -7.522 1.00 0.00 H new ATOM 2078 N ILE B 42 -6.214 -4.115 -9.506 1.00 0.00 N ATOM 2079 CA ILE B 42 -6.177 -5.446 -10.091 1.00 0.00 C ATOM 2080 C ILE B 42 -7.304 -5.615 -11.108 1.00 0.00 C ATOM 2081 O ILE B 42 -8.419 -5.129 -10.905 1.00 0.00 O ATOM 2082 CB ILE B 42 -6.266 -6.543 -9.003 1.00 0.00 C ATOM 2083 CG1 ILE B 42 -5.027 -6.485 -8.100 1.00 0.00 C ATOM 2084 CG2 ILE B 42 -6.403 -7.919 -9.633 1.00 0.00 C ATOM 2085 CD1 ILE B 42 -5.002 -7.554 -7.026 1.00 0.00 C ATOM 0 H ILE B 42 -6.943 -3.981 -8.806 1.00 0.00 H new ATOM 0 HA ILE B 42 -5.221 -5.557 -10.603 1.00 0.00 H new ATOM 0 HB ILE B 42 -7.154 -6.361 -8.397 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -4.134 -6.583 -8.717 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -4.981 -5.505 -7.625 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -6.464 -8.674 -8.849 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -7.308 -7.953 -10.240 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -5.536 -8.119 -10.263 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -4.096 -7.448 -6.429 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -5.876 -7.445 -6.383 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -5.016 -8.539 -7.493 1.00 0.00 H new ATOM 2097 N GLU B 43 -6.995 -6.291 -12.207 1.00 0.00 N ATOM 2098 CA GLU B 43 -7.944 -6.482 -13.292 1.00 0.00 C ATOM 2099 C GLU B 43 -8.278 -7.960 -13.457 1.00 0.00 C ATOM 2100 O GLU B 43 -7.397 -8.820 -13.391 1.00 0.00 O ATOM 2101 CB GLU B 43 -7.360 -5.929 -14.594 1.00 0.00 C ATOM 2102 CG GLU B 43 -8.268 -6.080 -15.807 1.00 0.00 C ATOM 2103 CD GLU B 43 -7.584 -5.663 -17.094 1.00 0.00 C ATOM 2104 OE1 GLU B 43 -6.388 -5.314 -17.048 1.00 0.00 O ATOM 2105 OE2 GLU B 43 -8.232 -5.701 -18.161 1.00 0.00 O ATOM 0 H GLU B 43 -6.084 -6.720 -12.369 1.00 0.00 H new ATOM 0 HA GLU B 43 -8.862 -5.945 -13.052 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -7.133 -4.872 -14.455 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -6.416 -6.434 -14.797 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -8.591 -7.118 -15.890 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -9.165 -5.478 -15.664 1.00 0.00 H new ATOM 2112 N ILE B 44 -9.550 -8.242 -13.677 1.00 0.00 N ATOM 2113 CA ILE B 44 -10.017 -9.610 -13.843 1.00 0.00 C ATOM 2114 C ILE B 44 -10.364 -9.884 -15.298 1.00 0.00 C ATOM 2115 O ILE B 44 -11.105 -9.121 -15.922 1.00 0.00 O ATOM 2116 CB ILE B 44 -11.276 -9.902 -12.990 1.00 0.00 C ATOM 2117 CG1 ILE B 44 -11.030 -9.582 -11.516 1.00 0.00 C ATOM 2118 CG2 ILE B 44 -11.711 -11.353 -13.152 1.00 0.00 C ATOM 2119 CD1 ILE B 44 -10.051 -10.518 -10.845 1.00 0.00 C ATOM 0 H ILE B 44 -10.284 -7.537 -13.745 1.00 0.00 H new ATOM 0 HA ILE B 44 -9.203 -10.256 -13.513 1.00 0.00 H new ATOM 0 HB ILE B 44 -12.078 -9.256 -13.348 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -10.658 -8.561 -11.432 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -11.979 -9.620 -10.982 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -12.597 -11.537 -12.544 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -11.942 -11.549 -14.199 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -10.906 -12.013 -12.828 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -9.927 -10.228 -9.801 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -10.430 -11.539 -10.896 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -9.088 -10.463 -11.353 1.00 0.00 H new ATOM 2131 N VAL B 45 -9.819 -10.957 -15.843 1.00 0.00 N ATOM 2132 CA VAL B 45 -10.285 -11.456 -17.121 1.00 0.00 C ATOM 2133 C VAL B 45 -11.208 -12.644 -16.876 1.00 0.00 C ATOM 2134 O VAL B 45 -10.774 -13.730 -16.486 1.00 0.00 O ATOM 2135 CB VAL B 45 -9.128 -11.831 -18.080 1.00 0.00 C ATOM 2136 CG1 VAL B 45 -8.467 -10.577 -18.625 1.00 0.00 C ATOM 2137 CG2 VAL B 45 -8.095 -12.704 -17.388 1.00 0.00 C ATOM 0 H VAL B 45 -9.060 -11.494 -15.424 1.00 0.00 H new ATOM 0 HA VAL B 45 -10.832 -10.657 -17.621 1.00 0.00 H new ATOM 0 HB VAL B 45 -9.553 -12.400 -18.906 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -7.656 -10.856 -19.297 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -9.203 -9.985 -19.170 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -8.067 -9.988 -17.799 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -7.297 -12.949 -18.089 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -7.677 -12.168 -16.536 1.00 0.00 H new ATOM 0 HG23 VAL B 45 -8.568 -13.623 -17.042 1.00 0.00 H new ATOM 2147 N SER B 46 -12.492 -12.408 -17.058 1.00 0.00 N ATOM 2148 CA SER B 46 -13.505 -13.383 -16.717 1.00 0.00 C ATOM 2149 C SER B 46 -14.133 -13.981 -17.968 1.00 0.00 C ATOM 2150 O SER B 46 -14.385 -13.276 -18.949 1.00 0.00 O ATOM 2151 CB SER B 46 -14.557 -12.709 -15.835 1.00 0.00 C ATOM 2152 OG SER B 46 -14.845 -11.403 -16.309 1.00 0.00 O ATOM 0 H SER B 46 -12.860 -11.539 -17.445 1.00 0.00 H new ATOM 0 HA SER B 46 -13.048 -14.207 -16.168 1.00 0.00 H new ATOM 0 HB2 SER B 46 -15.468 -13.307 -15.825 1.00 0.00 H new ATOM 0 HB3 SER B 46 -14.198 -12.658 -14.807 1.00 0.00 H new ATOM 0 HG SER B 46 -15.521 -10.988 -15.734 1.00 0.00 H new ATOM 2158 N GLU B 47 -14.376 -15.284 -17.929 1.00 0.00 N ATOM 2159 CA GLU B 47 -14.945 -15.987 -19.069 1.00 0.00 C ATOM 2160 C GLU B 47 -16.441 -15.689 -19.188 1.00 0.00 C ATOM 2161 O GLU B 47 -17.026 -15.079 -18.290 1.00 0.00 O ATOM 2162 CB GLU B 47 -14.706 -17.489 -18.930 1.00 0.00 C ATOM 2163 CG GLU B 47 -13.233 -17.865 -18.820 1.00 0.00 C ATOM 2164 CD GLU B 47 -12.450 -17.562 -20.083 1.00 0.00 C ATOM 2165 OE1 GLU B 47 -12.484 -18.392 -21.015 1.00 0.00 O ATOM 2166 OE2 GLU B 47 -11.783 -16.507 -20.143 1.00 0.00 O ATOM 0 H GLU B 47 -14.188 -15.875 -17.119 1.00 0.00 H new ATOM 0 HA GLU B 47 -14.454 -15.638 -19.978 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -15.232 -17.852 -18.047 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -15.139 -17.999 -19.791 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -12.787 -17.326 -17.984 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -13.151 -18.928 -18.594 1.00 0.00 H new ATOM 2173 N GLU B 48 -17.049 -16.116 -20.294 1.00 0.00 N ATOM 2174 CA GLU B 48 -18.465 -15.849 -20.549 1.00 0.00 C ATOM 2175 C GLU B 48 -19.339 -16.432 -19.446 1.00 0.00 C ATOM 2176 O GLU B 48 -19.914 -15.709 -18.633 1.00 0.00 O ATOM 2177 CB GLU B 48 -18.905 -16.455 -21.881 1.00 0.00 C ATOM 2178 CG GLU B 48 -17.984 -16.171 -23.051 1.00 0.00 C ATOM 2179 CD GLU B 48 -18.461 -16.872 -24.306 1.00 0.00 C ATOM 2180 OE1 GLU B 48 -18.488 -18.123 -24.313 1.00 0.00 O ATOM 2181 OE2 GLU B 48 -18.828 -16.184 -25.283 1.00 0.00 O ATOM 0 H GLU B 48 -16.583 -16.649 -21.029 1.00 0.00 H new ATOM 0 HA GLU B 48 -18.584 -14.766 -20.579 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -18.992 -17.535 -21.760 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -19.900 -16.080 -22.122 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -17.936 -15.096 -23.227 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -16.973 -16.500 -22.810 1.00 0.00 H new ATOM 2188 N ASP B 49 -19.437 -17.751 -19.442 1.00 0.00 N ATOM 2189 CA ASP B 49 -20.236 -18.459 -18.457 1.00 0.00 C ATOM 2190 C ASP B 49 -19.349 -19.319 -17.578 1.00 0.00 C ATOM 2191 O ASP B 49 -19.822 -19.972 -16.648 1.00 0.00 O ATOM 2192 CB ASP B 49 -21.274 -19.344 -19.146 1.00 0.00 C ATOM 2193 CG ASP B 49 -22.222 -18.562 -20.024 1.00 0.00 C ATOM 2194 OD1 ASP B 49 -23.120 -17.882 -19.482 1.00 0.00 O ATOM 2195 OD2 ASP B 49 -22.086 -18.634 -21.267 1.00 0.00 O ATOM 0 H ASP B 49 -18.969 -18.357 -20.116 1.00 0.00 H new ATOM 0 HA ASP B 49 -20.747 -17.720 -17.841 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -20.762 -20.093 -19.750 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -21.846 -19.881 -18.389 1.00 0.00 H new ATOM 2200 N GLY B 50 -18.060 -19.319 -17.887 1.00 0.00 N ATOM 2201 CA GLY B 50 -17.121 -20.133 -17.152 1.00 0.00 C ATOM 2202 C GLY B 50 -16.672 -19.476 -15.866 1.00 0.00 C ATOM 2203 O GLY B 50 -17.495 -19.087 -15.034 1.00 0.00 O ATOM 0 H GLY B 50 -17.649 -18.765 -18.639 1.00 0.00 H new ATOM 0 HA2 GLY B 50 -17.579 -21.096 -16.924 1.00 0.00 H new ATOM 0 HA3 GLY B 50 -16.251 -20.334 -17.777 1.00 0.00 H new ATOM 2207 N GLY B 51 -15.371 -19.324 -15.714 1.00 0.00 N ATOM 2208 CA GLY B 51 -14.836 -18.791 -14.481 1.00 0.00 C ATOM 2209 C GLY B 51 -14.270 -17.397 -14.642 1.00 0.00 C ATOM 2210 O GLY B 51 -14.728 -16.615 -15.478 1.00 0.00 O ATOM 0 H GLY B 51 -14.674 -19.559 -16.420 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -15.622 -18.774 -13.726 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -14.054 -19.455 -14.112 1.00 0.00 H new ATOM 2214 N ALA B 52 -13.273 -17.090 -13.835 1.00 0.00 N ATOM 2215 CA ALA B 52 -12.618 -15.799 -13.860 1.00 0.00 C ATOM 2216 C ALA B 52 -11.148 -15.984 -13.547 1.00 0.00 C ATOM 2217 O ALA B 52 -10.784 -16.873 -12.781 1.00 0.00 O ATOM 2218 CB ALA B 52 -13.264 -14.850 -12.859 1.00 0.00 C ATOM 0 H ALA B 52 -12.894 -17.733 -13.140 1.00 0.00 H new ATOM 0 HA ALA B 52 -12.724 -15.359 -14.852 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -12.758 -13.885 -12.893 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -14.316 -14.717 -13.111 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -13.181 -15.268 -11.856 1.00 0.00 H new ATOM 2224 N HIS B 53 -10.302 -15.179 -14.157 1.00 0.00 N ATOM 2225 CA HIS B 53 -8.871 -15.296 -13.933 1.00 0.00 C ATOM 2226 C HIS B 53 -8.317 -14.003 -13.354 1.00 0.00 C ATOM 2227 O HIS B 53 -8.279 -12.968 -14.021 1.00 0.00 O ATOM 2228 CB HIS B 53 -8.150 -15.688 -15.222 1.00 0.00 C ATOM 2229 CG HIS B 53 -8.419 -17.103 -15.620 1.00 0.00 C ATOM 2230 ND1 HIS B 53 -7.511 -18.120 -15.447 1.00 0.00 N ATOM 2231 CD2 HIS B 53 -9.527 -17.676 -16.144 1.00 0.00 C ATOM 2232 CE1 HIS B 53 -8.050 -19.254 -15.837 1.00 0.00 C ATOM 2233 NE2 HIS B 53 -9.275 -19.018 -16.265 1.00 0.00 N ATOM 0 H HIS B 53 -10.575 -14.442 -14.807 1.00 0.00 H new ATOM 0 HA HIS B 53 -8.696 -16.089 -13.207 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -8.462 -15.022 -16.026 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -7.077 -15.548 -15.091 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -10.441 -17.170 -16.417 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -7.569 -20.220 -15.811 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -9.925 -19.716 -16.625 1.00 0.00 H new ATOM 2242 N ASN B 54 -7.918 -14.076 -12.098 1.00 0.00 N ATOM 2243 CA ASN B 54 -7.412 -12.920 -11.372 1.00 0.00 C ATOM 2244 C ASN B 54 -5.939 -12.700 -11.685 1.00 0.00 C ATOM 2245 O ASN B 54 -5.092 -13.510 -11.312 1.00 0.00 O ATOM 2246 CB ASN B 54 -7.610 -13.126 -9.866 1.00 0.00 C ATOM 2247 CG ASN B 54 -7.055 -11.984 -9.037 1.00 0.00 C ATOM 2248 OD1 ASN B 54 -7.015 -10.843 -9.482 1.00 0.00 O ATOM 2249 ND2 ASN B 54 -6.625 -12.288 -7.823 1.00 0.00 N ATOM 0 H ASN B 54 -7.934 -14.936 -11.550 1.00 0.00 H new ATOM 0 HA ASN B 54 -7.966 -12.035 -11.686 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -8.674 -13.237 -9.656 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -7.127 -14.055 -9.565 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -6.243 -11.559 -7.220 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -6.676 -13.251 -7.490 1.00 0.00 H new ATOM 2256 N GLN B 55 -5.642 -11.616 -12.386 1.00 0.00 N ATOM 2257 CA GLN B 55 -4.274 -11.307 -12.762 1.00 0.00 C ATOM 2258 C GLN B 55 -3.701 -10.216 -11.872 1.00 0.00 C ATOM 2259 O GLN B 55 -4.196 -9.088 -11.858 1.00 0.00 O ATOM 2260 CB GLN B 55 -4.190 -10.861 -14.226 1.00 0.00 C ATOM 2261 CG GLN B 55 -4.604 -11.928 -15.226 1.00 0.00 C ATOM 2262 CD GLN B 55 -4.272 -11.534 -16.651 1.00 0.00 C ATOM 2263 OE1 GLN B 55 -3.186 -11.826 -17.151 1.00 0.00 O ATOM 2264 NE2 GLN B 55 -5.198 -10.867 -17.313 1.00 0.00 N ATOM 0 H GLN B 55 -6.332 -10.936 -12.705 1.00 0.00 H new ATOM 0 HA GLN B 55 -3.690 -12.218 -12.635 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -4.823 -9.984 -14.364 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -3.167 -10.553 -14.442 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -4.103 -12.865 -14.984 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -5.676 -12.108 -15.141 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -6.086 -10.644 -16.863 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -5.026 -10.574 -18.275 1.00 0.00 H new ATOM 2273 N CYS B 56 -2.658 -10.554 -11.130 1.00 0.00 N ATOM 2274 CA CYS B 56 -1.954 -9.571 -10.327 1.00 0.00 C ATOM 2275 C CYS B 56 -1.184 -8.637 -11.253 1.00 0.00 C ATOM 2276 O CYS B 56 -0.222 -9.053 -11.903 1.00 0.00 O ATOM 2277 CB CYS B 56 -1.005 -10.264 -9.348 1.00 0.00 C ATOM 2278 SG CYS B 56 -1.817 -11.452 -8.252 1.00 0.00 S ATOM 0 H CYS B 56 -2.282 -11.500 -11.068 1.00 0.00 H new ATOM 0 HA CYS B 56 -2.671 -8.992 -9.744 1.00 0.00 H new ATOM 0 HB2 CYS B 56 -0.229 -10.779 -9.914 1.00 0.00 H new ATOM 0 HB3 CYS B 56 -0.508 -9.507 -8.742 1.00 0.00 H new ATOM 0 HG CYS B 56 -0.934 -11.988 -7.463 1.00 0.00 H new ATOM 2284 N LYS B 57 -1.609 -7.376 -11.299 1.00 0.00 N ATOM 2285 CA LYS B 57 -1.108 -6.425 -12.275 1.00 0.00 C ATOM 2286 C LYS B 57 0.201 -5.841 -11.777 1.00 0.00 C ATOM 2287 O LYS B 57 0.263 -4.697 -11.329 1.00 0.00 O ATOM 2288 CB LYS B 57 -2.162 -5.335 -12.524 1.00 0.00 C ATOM 2289 CG LYS B 57 -2.055 -4.632 -13.878 1.00 0.00 C ATOM 2290 CD LYS B 57 -1.015 -3.521 -13.876 1.00 0.00 C ATOM 2291 CE LYS B 57 -1.392 -2.395 -12.921 1.00 0.00 C ATOM 2292 NZ LYS B 57 -2.641 -1.701 -13.332 1.00 0.00 N ATOM 0 H LYS B 57 -2.307 -6.991 -10.662 1.00 0.00 H new ATOM 0 HA LYS B 57 -0.917 -6.923 -13.226 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -3.153 -5.782 -12.441 1.00 0.00 H new ATOM 0 HB3 LYS B 57 -2.083 -4.587 -11.735 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -1.799 -5.364 -14.645 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -3.026 -4.216 -14.146 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -0.046 -3.931 -13.591 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -0.908 -3.122 -14.885 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -1.518 -2.800 -11.917 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -0.577 -1.673 -12.874 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -2.793 -0.871 -12.724 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -2.558 -1.394 -14.322 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -3.447 -2.352 -13.238 1.00 0.00 H new ATOM 2306 N LEU B 58 1.222 -6.676 -11.820 1.00 0.00 N ATOM 2307 CA LEU B 58 2.554 -6.319 -11.360 1.00 0.00 C ATOM 2308 C LEU B 58 3.505 -7.490 -11.568 1.00 0.00 C ATOM 2309 O LEU B 58 4.570 -7.347 -12.165 1.00 0.00 O ATOM 2310 CB LEU B 58 2.529 -5.950 -9.873 1.00 0.00 C ATOM 2311 CG LEU B 58 3.579 -4.928 -9.453 1.00 0.00 C ATOM 2312 CD1 LEU B 58 3.301 -3.603 -10.137 1.00 0.00 C ATOM 2313 CD2 LEU B 58 3.593 -4.759 -7.941 1.00 0.00 C ATOM 0 H LEU B 58 1.151 -7.629 -12.178 1.00 0.00 H new ATOM 0 HA LEU B 58 2.897 -5.459 -11.935 1.00 0.00 H new ATOM 0 HB2 LEU B 58 1.542 -5.559 -9.626 1.00 0.00 H new ATOM 0 HB3 LEU B 58 2.669 -6.857 -9.285 1.00 0.00 H new ATOM 0 HG LEU B 58 4.562 -5.286 -9.758 1.00 0.00 H new ATOM 0 HD11 LEU B 58 4.053 -2.873 -9.836 1.00 0.00 H new ATOM 0 HD12 LEU B 58 3.338 -3.737 -11.218 1.00 0.00 H new ATOM 0 HD13 LEU B 58 2.312 -3.245 -9.849 1.00 0.00 H new ATOM 0 HD21 LEU B 58 4.350 -4.025 -7.664 1.00 0.00 H new ATOM 0 HD22 LEU B 58 2.615 -4.416 -7.604 1.00 0.00 H new ATOM 0 HD23 LEU B 58 3.825 -5.714 -7.470 1.00 0.00 H new ATOM 2325 N CYS B 59 3.097 -8.655 -11.072 1.00 0.00 N ATOM 2326 CA CYS B 59 3.934 -9.847 -11.118 1.00 0.00 C ATOM 2327 C CYS B 59 3.608 -10.705 -12.340 1.00 0.00 C ATOM 2328 O CYS B 59 4.380 -11.588 -12.714 1.00 0.00 O ATOM 2329 CB CYS B 59 3.750 -10.666 -9.832 1.00 0.00 C ATOM 2330 SG CYS B 59 4.783 -12.148 -9.731 1.00 0.00 S ATOM 0 H CYS B 59 2.188 -8.798 -10.632 1.00 0.00 H new ATOM 0 HA CYS B 59 4.974 -9.530 -11.198 1.00 0.00 H new ATOM 0 HB2 CYS B 59 3.968 -10.028 -8.976 1.00 0.00 H new ATOM 0 HB3 CYS B 59 2.704 -10.962 -9.751 1.00 0.00 H new ATOM 0 HG CYS B 59 5.065 -12.563 -10.930 1.00 0.00 H new ATOM 2336 N GLY B 60 2.462 -10.443 -12.961 1.00 0.00 N ATOM 2337 CA GLY B 60 2.059 -11.209 -14.128 1.00 0.00 C ATOM 2338 C GLY B 60 1.613 -12.613 -13.772 1.00 0.00 C ATOM 2339 O GLY B 60 1.787 -13.548 -14.553 1.00 0.00 O ATOM 0 H GLY B 60 1.806 -9.715 -12.678 1.00 0.00 H new ATOM 0 HA2 GLY B 60 1.246 -10.691 -14.637 1.00 0.00 H new ATOM 0 HA3 GLY B 60 2.892 -11.262 -14.830 1.00 0.00 H new ATOM 2343 N ALA B 61 1.049 -12.763 -12.581 1.00 0.00 N ATOM 2344 CA ALA B 61 0.566 -14.054 -12.116 1.00 0.00 C ATOM 2345 C ALA B 61 -0.952 -14.054 -12.062 1.00 0.00 C ATOM 2346 O ALA B 61 -1.562 -13.088 -11.596 1.00 0.00 O ATOM 2347 CB ALA B 61 1.149 -14.377 -10.748 1.00 0.00 C ATOM 0 H ALA B 61 0.915 -12.001 -11.917 1.00 0.00 H new ATOM 0 HA ALA B 61 0.890 -14.823 -12.817 1.00 0.00 H new ATOM 0 HB1 ALA B 61 0.778 -15.346 -10.414 1.00 0.00 H new ATOM 0 HB2 ALA B 61 2.237 -14.408 -10.814 1.00 0.00 H new ATOM 0 HB3 ALA B 61 0.851 -13.609 -10.035 1.00 0.00 H new ATOM 2353 N SER B 62 -1.560 -15.127 -12.539 1.00 0.00 N ATOM 2354 CA SER B 62 -3.009 -15.215 -12.572 1.00 0.00 C ATOM 2355 C SER B 62 -3.508 -16.475 -11.871 1.00 0.00 C ATOM 2356 O SER B 62 -2.853 -17.519 -11.895 1.00 0.00 O ATOM 2357 CB SER B 62 -3.505 -15.171 -14.019 1.00 0.00 C ATOM 2358 OG SER B 62 -2.869 -16.156 -14.817 1.00 0.00 O ATOM 0 H SER B 62 -1.075 -15.945 -12.907 1.00 0.00 H new ATOM 0 HA SER B 62 -3.412 -14.358 -12.033 1.00 0.00 H new ATOM 0 HB2 SER B 62 -4.584 -15.326 -14.040 1.00 0.00 H new ATOM 0 HB3 SER B 62 -3.316 -14.183 -14.439 1.00 0.00 H new ATOM 0 HG SER B 62 -3.209 -16.103 -15.735 1.00 0.00 H new ATOM 2364 N VAL B 63 -4.665 -16.358 -11.241 1.00 0.00 N ATOM 2365 CA VAL B 63 -5.270 -17.467 -10.517 1.00 0.00 C ATOM 2366 C VAL B 63 -6.739 -17.620 -10.927 1.00 0.00 C ATOM 2367 O VAL B 63 -7.413 -16.624 -11.191 1.00 0.00 O ATOM 2368 CB VAL B 63 -5.146 -17.238 -8.980 1.00 0.00 C ATOM 2369 CG1 VAL B 63 -5.865 -15.967 -8.548 1.00 0.00 C ATOM 2370 CG2 VAL B 63 -5.658 -18.430 -8.188 1.00 0.00 C ATOM 0 H VAL B 63 -5.210 -15.496 -11.216 1.00 0.00 H new ATOM 0 HA VAL B 63 -4.743 -18.387 -10.769 1.00 0.00 H new ATOM 0 HB VAL B 63 -4.084 -17.123 -8.763 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -5.759 -15.837 -7.471 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -5.429 -15.110 -9.061 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -6.922 -16.043 -8.802 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -5.554 -18.230 -7.122 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -6.708 -18.600 -8.425 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -5.079 -19.316 -8.449 1.00 0.00 H new ATOM 2380 N PRO B 64 -7.252 -18.869 -11.018 1.00 0.00 N ATOM 2381 CA PRO B 64 -8.663 -19.141 -11.367 1.00 0.00 C ATOM 2382 C PRO B 64 -9.671 -18.586 -10.352 1.00 0.00 C ATOM 2383 O PRO B 64 -10.866 -18.859 -10.455 1.00 0.00 O ATOM 2384 CB PRO B 64 -8.744 -20.672 -11.404 1.00 0.00 C ATOM 2385 CG PRO B 64 -7.337 -21.130 -11.567 1.00 0.00 C ATOM 2386 CD PRO B 64 -6.491 -20.120 -10.851 1.00 0.00 C ATOM 0 HA PRO B 64 -8.926 -18.654 -12.306 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -9.183 -21.066 -10.488 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -9.368 -21.014 -12.229 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -7.199 -22.125 -11.145 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -7.065 -21.190 -12.621 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -6.361 -20.376 -9.799 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -5.495 -20.047 -11.287 1.00 0.00 H new ATOM 2394 N TRP B 65 -9.169 -17.847 -9.360 1.00 0.00 N ATOM 2395 CA TRP B 65 -9.996 -17.110 -8.403 1.00 0.00 C ATOM 2396 C TRP B 65 -10.634 -18.022 -7.356 1.00 0.00 C ATOM 2397 O TRP B 65 -10.496 -17.783 -6.158 1.00 0.00 O ATOM 2398 CB TRP B 65 -11.066 -16.286 -9.138 1.00 0.00 C ATOM 2399 CG TRP B 65 -12.027 -15.589 -8.228 1.00 0.00 C ATOM 2400 CD1 TRP B 65 -13.232 -16.062 -7.808 1.00 0.00 C ATOM 2401 CD2 TRP B 65 -11.868 -14.300 -7.626 1.00 0.00 C ATOM 2402 NE1 TRP B 65 -13.838 -15.149 -6.981 1.00 0.00 N ATOM 2403 CE2 TRP B 65 -13.020 -14.057 -6.852 1.00 0.00 C ATOM 2404 CE3 TRP B 65 -10.863 -13.329 -7.665 1.00 0.00 C ATOM 2405 CZ2 TRP B 65 -13.194 -12.883 -6.124 1.00 0.00 C ATOM 2406 CZ3 TRP B 65 -11.038 -12.164 -6.942 1.00 0.00 C ATOM 2407 CH2 TRP B 65 -12.193 -11.951 -6.179 1.00 0.00 C ATOM 0 H TRP B 65 -8.167 -17.743 -9.197 1.00 0.00 H new ATOM 0 HA TRP B 65 -9.335 -16.430 -7.865 1.00 0.00 H new ATOM 0 HB2 TRP B 65 -10.572 -15.544 -9.765 1.00 0.00 H new ATOM 0 HB3 TRP B 65 -11.624 -16.945 -9.803 1.00 0.00 H new ATOM 0 HD1 TRP B 65 -13.651 -17.018 -8.085 1.00 0.00 H new ATOM 0 HE1 TRP B 65 -14.748 -15.265 -6.535 1.00 0.00 H new ATOM 0 HE3 TRP B 65 -9.968 -13.486 -8.248 1.00 0.00 H new ATOM 0 HZ2 TRP B 65 -14.085 -12.714 -5.538 1.00 0.00 H new ATOM 0 HZ3 TRP B 65 -10.271 -11.405 -6.966 1.00 0.00 H new ATOM 0 HH2 TRP B 65 -12.296 -11.031 -5.622 1.00 0.00 H new ATOM 2418 N LEU B 66 -11.317 -19.064 -7.807 1.00 0.00 N ATOM 2419 CA LEU B 66 -12.040 -19.965 -6.910 1.00 0.00 C ATOM 2420 C LEU B 66 -11.125 -20.589 -5.859 1.00 0.00 C ATOM 2421 O LEU B 66 -11.519 -20.744 -4.700 1.00 0.00 O ATOM 2422 CB LEU B 66 -12.759 -21.065 -7.698 1.00 0.00 C ATOM 2423 CG LEU B 66 -14.097 -20.661 -8.335 1.00 0.00 C ATOM 2424 CD1 LEU B 66 -15.022 -20.055 -7.291 1.00 0.00 C ATOM 2425 CD2 LEU B 66 -13.893 -19.696 -9.495 1.00 0.00 C ATOM 0 H LEU B 66 -11.388 -19.311 -8.794 1.00 0.00 H new ATOM 0 HA LEU B 66 -12.781 -19.359 -6.389 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -12.093 -21.416 -8.487 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -12.935 -21.909 -7.031 1.00 0.00 H new ATOM 0 HG LEU B 66 -14.562 -21.563 -8.733 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -15.965 -19.774 -7.760 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -15.211 -20.785 -6.504 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -14.554 -19.170 -6.860 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -14.860 -19.431 -9.922 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -13.396 -18.795 -9.136 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -13.277 -20.170 -10.259 1.00 0.00 H new ATOM 2437 N GLN B 67 -9.910 -20.948 -6.261 1.00 0.00 N ATOM 2438 CA GLN B 67 -8.934 -21.522 -5.339 1.00 0.00 C ATOM 2439 C GLN B 67 -8.619 -20.537 -4.218 1.00 0.00 C ATOM 2440 O GLN B 67 -8.643 -20.889 -3.038 1.00 0.00 O ATOM 2441 CB GLN B 67 -7.649 -21.892 -6.086 1.00 0.00 C ATOM 2442 CG GLN B 67 -6.616 -22.591 -5.212 1.00 0.00 C ATOM 2443 CD GLN B 67 -5.340 -22.942 -5.956 1.00 0.00 C ATOM 2444 OE1 GLN B 67 -4.674 -23.923 -5.638 1.00 0.00 O ATOM 2445 NE2 GLN B 67 -4.977 -22.135 -6.939 1.00 0.00 N ATOM 0 H GLN B 67 -9.577 -20.852 -7.220 1.00 0.00 H new ATOM 0 HA GLN B 67 -9.361 -22.425 -4.904 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -7.900 -22.540 -6.926 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -7.207 -20.987 -6.503 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -6.371 -21.948 -4.367 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -7.053 -23.502 -4.803 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -5.555 -21.329 -7.176 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -4.119 -22.319 -7.460 1.00 0.00 H new ATOM 2454 N THR B 68 -8.346 -19.298 -4.605 1.00 0.00 N ATOM 2455 CA THR B 68 -7.995 -18.245 -3.665 1.00 0.00 C ATOM 2456 C THR B 68 -7.767 -16.940 -4.417 1.00 0.00 C ATOM 2457 O THR B 68 -7.348 -16.948 -5.577 1.00 0.00 O ATOM 2458 CB THR B 68 -6.723 -18.597 -2.854 1.00 0.00 C ATOM 2459 OG1 THR B 68 -6.370 -17.520 -1.974 1.00 0.00 O ATOM 2460 CG2 THR B 68 -5.555 -18.902 -3.781 1.00 0.00 C ATOM 0 H THR B 68 -8.362 -18.996 -5.579 1.00 0.00 H new ATOM 0 HA THR B 68 -8.824 -18.138 -2.965 1.00 0.00 H new ATOM 0 HB THR B 68 -6.943 -19.485 -2.261 1.00 0.00 H new ATOM 0 HG1 THR B 68 -5.566 -17.761 -1.469 1.00 0.00 H new ATOM 0 HG21 THR B 68 -4.674 -19.146 -3.188 1.00 0.00 H new ATOM 0 HG22 THR B 68 -5.809 -19.748 -4.419 1.00 0.00 H new ATOM 0 HG23 THR B 68 -5.345 -18.030 -4.401 1.00 0.00 H new ATOM 2468 N GLY B 69 -8.067 -15.830 -3.766 1.00 0.00 N ATOM 2469 CA GLY B 69 -7.799 -14.538 -4.357 1.00 0.00 C ATOM 2470 C GLY B 69 -6.608 -13.868 -3.712 1.00 0.00 C ATOM 2471 O GLY B 69 -6.127 -12.835 -4.184 1.00 0.00 O ATOM 0 H GLY B 69 -8.491 -15.800 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY B 69 -7.616 -14.657 -5.425 1.00 0.00 H new ATOM 0 HA3 GLY B 69 -8.677 -13.900 -4.253 1.00 0.00 H new ATOM 2543 N HIS B 74 3.321 -17.408 -5.046 1.00 0.00 N ATOM 2544 CA HIS B 74 3.765 -16.034 -5.199 1.00 0.00 C ATOM 2545 C HIS B 74 5.278 -15.911 -5.269 1.00 0.00 C ATOM 2546 O HIS B 74 6.011 -16.733 -4.719 1.00 0.00 O ATOM 2547 CB HIS B 74 3.228 -15.181 -4.034 1.00 0.00 C ATOM 2548 CG HIS B 74 3.782 -15.536 -2.674 1.00 0.00 C ATOM 2549 ND1 HIS B 74 3.031 -16.118 -1.668 1.00 0.00 N ATOM 2550 CD2 HIS B 74 5.020 -15.352 -2.149 1.00 0.00 C ATOM 2551 CE1 HIS B 74 3.783 -16.268 -0.590 1.00 0.00 C ATOM 2552 NE2 HIS B 74 4.995 -15.811 -0.857 1.00 0.00 N ATOM 0 HA HIS B 74 3.368 -15.672 -6.147 1.00 0.00 H new ATOM 0 HB2 HIS B 74 3.450 -14.134 -4.238 1.00 0.00 H new ATOM 0 HB3 HIS B 74 2.143 -15.277 -4.004 1.00 0.00 H new ATOM 0 HD2 HIS B 74 5.871 -14.922 -2.657 1.00 0.00 H new ATOM 0 HE1 HIS B 74 3.461 -16.692 0.350 1.00 0.00 H new ATOM 0 HE2 HIS B 74 5.782 -15.802 -0.208 1.00 0.00 H new ATOM 2561 N ALA B 75 5.731 -14.865 -5.944 1.00 0.00 N ATOM 2562 CA ALA B 75 7.111 -14.441 -5.849 1.00 0.00 C ATOM 2563 C ALA B 75 7.276 -13.655 -4.558 1.00 0.00 C ATOM 2564 O ALA B 75 6.558 -12.682 -4.324 1.00 0.00 O ATOM 2565 CB ALA B 75 7.504 -13.596 -7.053 1.00 0.00 C ATOM 0 H ALA B 75 5.156 -14.295 -6.565 1.00 0.00 H new ATOM 0 HA ALA B 75 7.767 -15.311 -5.841 1.00 0.00 H new ATOM 0 HB1 ALA B 75 8.546 -13.290 -6.958 1.00 0.00 H new ATOM 0 HB2 ALA B 75 7.379 -14.181 -7.964 1.00 0.00 H new ATOM 0 HB3 ALA B 75 6.869 -12.712 -7.100 1.00 0.00 H new ATOM 2571 N ASP B 76 8.207 -14.073 -3.721 1.00 0.00 N ATOM 2572 CA ASP B 76 8.311 -13.536 -2.367 1.00 0.00 C ATOM 2573 C ASP B 76 9.028 -12.186 -2.363 1.00 0.00 C ATOM 2574 O ASP B 76 9.237 -11.574 -1.320 1.00 0.00 O ATOM 2575 CB ASP B 76 9.044 -14.539 -1.481 1.00 0.00 C ATOM 2576 CG ASP B 76 8.657 -14.425 -0.024 1.00 0.00 C ATOM 2577 OD1 ASP B 76 7.496 -14.754 0.313 1.00 0.00 O ATOM 2578 OD2 ASP B 76 9.522 -14.048 0.795 1.00 0.00 O ATOM 0 H ASP B 76 8.904 -14.782 -3.950 1.00 0.00 H new ATOM 0 HA ASP B 76 7.307 -13.374 -1.974 1.00 0.00 H new ATOM 0 HB2 ASP B 76 8.832 -15.549 -1.831 1.00 0.00 H new ATOM 0 HB3 ASP B 76 10.119 -14.387 -1.580 1.00 0.00 H new ATOM 2583 N ASP B 77 9.386 -11.728 -3.550 1.00 0.00 N ATOM 2584 CA ASP B 77 10.067 -10.447 -3.710 1.00 0.00 C ATOM 2585 C ASP B 77 9.070 -9.340 -4.032 1.00 0.00 C ATOM 2586 O ASP B 77 9.449 -8.187 -4.238 1.00 0.00 O ATOM 2587 CB ASP B 77 11.109 -10.526 -4.826 1.00 0.00 C ATOM 2588 CG ASP B 77 12.214 -11.516 -4.532 1.00 0.00 C ATOM 2589 OD1 ASP B 77 13.234 -11.120 -3.929 1.00 0.00 O ATOM 2590 OD2 ASP B 77 12.077 -12.699 -4.917 1.00 0.00 O ATOM 0 H ASP B 77 9.217 -12.225 -4.425 1.00 0.00 H new ATOM 0 HA ASP B 77 10.565 -10.217 -2.768 1.00 0.00 H new ATOM 0 HB2 ASP B 77 10.616 -10.806 -5.757 1.00 0.00 H new ATOM 0 HB3 ASP B 77 11.544 -9.539 -4.980 1.00 0.00 H new ATOM 2595 N CYS B 78 7.794 -9.697 -4.085 1.00 0.00 N ATOM 2596 CA CYS B 78 6.750 -8.742 -4.420 1.00 0.00 C ATOM 2597 C CYS B 78 6.122 -8.150 -3.158 1.00 0.00 C ATOM 2598 O CYS B 78 5.619 -8.880 -2.302 1.00 0.00 O ATOM 2599 CB CYS B 78 5.679 -9.418 -5.277 1.00 0.00 C ATOM 2600 SG CYS B 78 6.306 -10.113 -6.824 1.00 0.00 S ATOM 0 H CYS B 78 7.458 -10.642 -3.900 1.00 0.00 H new ATOM 0 HA CYS B 78 7.200 -7.927 -4.987 1.00 0.00 H new ATOM 0 HB2 CYS B 78 5.212 -10.213 -4.696 1.00 0.00 H new ATOM 0 HB3 CYS B 78 4.900 -8.691 -5.507 1.00 0.00 H new ATOM 0 HG CYS B 78 5.342 -10.724 -7.447 1.00 0.00 H new ATOM 2606 N PRO B 79 6.140 -6.809 -3.037 1.00 0.00 N ATOM 2607 CA PRO B 79 5.579 -6.101 -1.876 1.00 0.00 C ATOM 2608 C PRO B 79 4.083 -6.365 -1.699 1.00 0.00 C ATOM 2609 O PRO B 79 3.571 -6.364 -0.581 1.00 0.00 O ATOM 2610 CB PRO B 79 5.828 -4.621 -2.195 1.00 0.00 C ATOM 2611 CG PRO B 79 6.066 -4.573 -3.666 1.00 0.00 C ATOM 2612 CD PRO B 79 6.719 -5.877 -4.017 1.00 0.00 C ATOM 0 HA PRO B 79 6.039 -6.430 -0.944 1.00 0.00 H new ATOM 0 HB2 PRO B 79 4.971 -4.008 -1.914 1.00 0.00 H new ATOM 0 HB3 PRO B 79 6.687 -4.239 -1.644 1.00 0.00 H new ATOM 0 HG2 PRO B 79 5.130 -4.446 -4.210 1.00 0.00 H new ATOM 0 HG3 PRO B 79 6.706 -3.731 -3.931 1.00 0.00 H new ATOM 0 HD2 PRO B 79 6.496 -6.178 -5.041 1.00 0.00 H new ATOM 0 HD3 PRO B 79 7.804 -5.822 -3.930 1.00 0.00 H new ATOM 2620 N VAL B 80 3.397 -6.605 -2.811 1.00 0.00 N ATOM 2621 CA VAL B 80 1.967 -6.903 -2.791 1.00 0.00 C ATOM 2622 C VAL B 80 1.688 -8.156 -1.960 1.00 0.00 C ATOM 2623 O VAL B 80 0.634 -8.286 -1.335 1.00 0.00 O ATOM 2624 CB VAL B 80 1.422 -7.101 -4.225 1.00 0.00 C ATOM 2625 CG1 VAL B 80 -0.075 -7.386 -4.211 1.00 0.00 C ATOM 2626 CG2 VAL B 80 1.725 -5.881 -5.082 1.00 0.00 C ATOM 0 H VAL B 80 3.810 -6.599 -3.744 1.00 0.00 H new ATOM 0 HA VAL B 80 1.459 -6.053 -2.336 1.00 0.00 H new ATOM 0 HB VAL B 80 1.924 -7.966 -4.659 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.429 -7.521 -5.233 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -0.267 -8.293 -3.638 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.601 -6.549 -3.752 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.335 -6.037 -6.088 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.254 -5.002 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.803 -5.729 -5.131 1.00 0.00 H new ATOM 2636 N VAL B 81 2.649 -9.067 -1.943 1.00 0.00 N ATOM 2637 CA VAL B 81 2.512 -10.307 -1.203 1.00 0.00 C ATOM 2638 C VAL B 81 2.621 -10.063 0.298 1.00 0.00 C ATOM 2639 O VAL B 81 1.758 -10.483 1.069 1.00 0.00 O ATOM 2640 CB VAL B 81 3.580 -11.332 -1.622 1.00 0.00 C ATOM 2641 CG1 VAL B 81 3.459 -12.593 -0.785 1.00 0.00 C ATOM 2642 CG2 VAL B 81 3.464 -11.652 -3.104 1.00 0.00 C ATOM 0 H VAL B 81 3.536 -8.968 -2.437 1.00 0.00 H new ATOM 0 HA VAL B 81 1.525 -10.707 -1.435 1.00 0.00 H new ATOM 0 HB VAL B 81 4.565 -10.898 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.221 -13.309 -1.093 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.598 -12.346 0.268 1.00 0.00 H new ATOM 0 HG13 VAL B 81 2.471 -13.031 -0.928 1.00 0.00 H new ATOM 0 HG21 VAL B 81 4.228 -12.379 -3.380 1.00 0.00 H new ATOM 0 HG22 VAL B 81 2.477 -12.067 -3.311 1.00 0.00 H new ATOM 0 HG23 VAL B 81 3.603 -10.740 -3.685 1.00 0.00 H new ATOM 2652 N ILE B 82 3.678 -9.372 0.709 1.00 0.00 N ATOM 2653 CA ILE B 82 3.913 -9.130 2.120 1.00 0.00 C ATOM 2654 C ILE B 82 2.818 -8.249 2.714 1.00 0.00 C ATOM 2655 O ILE B 82 2.480 -8.378 3.887 1.00 0.00 O ATOM 2656 CB ILE B 82 5.298 -8.504 2.376 1.00 0.00 C ATOM 2657 CG1 ILE B 82 5.369 -7.052 1.908 1.00 0.00 C ATOM 2658 CG2 ILE B 82 6.390 -9.328 1.714 1.00 0.00 C ATOM 2659 CD1 ILE B 82 5.419 -6.070 3.058 1.00 0.00 C ATOM 0 H ILE B 82 4.380 -8.973 0.086 1.00 0.00 H new ATOM 0 HA ILE B 82 3.890 -10.100 2.616 1.00 0.00 H new ATOM 0 HB ILE B 82 5.457 -8.507 3.454 1.00 0.00 H new ATOM 0 HG12 ILE B 82 6.252 -6.919 1.283 1.00 0.00 H new ATOM 0 HG13 ILE B 82 4.502 -6.832 1.285 1.00 0.00 H new ATOM 0 HG21 ILE B 82 7.360 -8.869 1.907 1.00 0.00 H new ATOM 0 HG22 ILE B 82 6.380 -10.339 2.121 1.00 0.00 H new ATOM 0 HG23 ILE B 82 6.215 -9.368 0.639 1.00 0.00 H new ATOM 0 HD11 ILE B 82 5.469 -5.054 2.667 1.00 0.00 H new ATOM 0 HD12 ILE B 82 4.524 -6.180 3.670 1.00 0.00 H new ATOM 0 HD13 ILE B 82 6.301 -6.268 3.667 1.00 0.00 H new ATOM 2671 N ALA B 83 2.283 -7.350 1.895 1.00 0.00 N ATOM 2672 CA ALA B 83 1.139 -6.527 2.285 1.00 0.00 C ATOM 2673 C ALA B 83 -0.023 -7.404 2.746 1.00 0.00 C ATOM 2674 O ALA B 83 -0.663 -7.118 3.760 1.00 0.00 O ATOM 2675 CB ALA B 83 0.702 -5.632 1.131 1.00 0.00 C ATOM 0 H ALA B 83 2.624 -7.171 0.951 1.00 0.00 H new ATOM 0 HA ALA B 83 1.445 -5.893 3.117 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -0.150 -5.028 1.442 1.00 0.00 H new ATOM 0 HB2 ALA B 83 1.526 -4.978 0.846 1.00 0.00 H new ATOM 0 HB3 ALA B 83 0.418 -6.250 0.279 1.00 0.00 H new ATOM 2681 N LYS B 84 -0.274 -8.483 2.007 1.00 0.00 N ATOM 2682 CA LYS B 84 -1.314 -9.444 2.371 1.00 0.00 C ATOM 2683 C LYS B 84 -0.970 -10.119 3.695 1.00 0.00 C ATOM 2684 O LYS B 84 -1.841 -10.375 4.524 1.00 0.00 O ATOM 2685 CB LYS B 84 -1.473 -10.504 1.280 1.00 0.00 C ATOM 2686 CG LYS B 84 -1.995 -9.964 -0.041 1.00 0.00 C ATOM 2687 CD LYS B 84 -2.043 -11.056 -1.096 1.00 0.00 C ATOM 2688 CE LYS B 84 -2.691 -10.573 -2.384 1.00 0.00 C ATOM 2689 NZ LYS B 84 -2.672 -11.624 -3.440 1.00 0.00 N ATOM 0 H LYS B 84 0.230 -8.714 1.151 1.00 0.00 H new ATOM 0 HA LYS B 84 -2.255 -8.904 2.478 1.00 0.00 H new ATOM 0 HB2 LYS B 84 -0.508 -10.981 1.109 1.00 0.00 H new ATOM 0 HB3 LYS B 84 -2.152 -11.278 1.637 1.00 0.00 H new ATOM 0 HG2 LYS B 84 -2.992 -9.547 0.101 1.00 0.00 H new ATOM 0 HG3 LYS B 84 -1.355 -9.151 -0.383 1.00 0.00 H new ATOM 0 HD2 LYS B 84 -1.031 -11.402 -1.306 1.00 0.00 H new ATOM 0 HD3 LYS B 84 -2.598 -11.911 -0.709 1.00 0.00 H new ATOM 0 HE2 LYS B 84 -3.721 -10.277 -2.184 1.00 0.00 H new ATOM 0 HE3 LYS B 84 -2.169 -9.687 -2.744 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 -3.122 -11.257 -4.303 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 -1.688 -11.889 -3.649 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 -3.192 -12.461 -3.107 1.00 0.00 H new ATOM 2703 N GLN B 85 0.314 -10.398 3.874 1.00 0.00 N ATOM 2704 CA GLN B 85 0.819 -11.008 5.091 1.00 0.00 C ATOM 2705 C GLN B 85 0.591 -10.102 6.302 1.00 0.00 C ATOM 2706 O GLN B 85 0.338 -10.582 7.409 1.00 0.00 O ATOM 2707 CB GLN B 85 2.310 -11.309 4.920 1.00 0.00 C ATOM 2708 CG GLN B 85 2.584 -12.462 3.965 1.00 0.00 C ATOM 2709 CD GLN B 85 4.059 -12.781 3.812 1.00 0.00 C ATOM 2710 OE1 GLN B 85 4.432 -13.926 3.558 1.00 0.00 O ATOM 2711 NE2 GLN B 85 4.909 -11.778 3.965 1.00 0.00 N ATOM 0 H GLN B 85 1.034 -10.207 3.177 1.00 0.00 H new ATOM 0 HA GLN B 85 0.276 -11.936 5.271 1.00 0.00 H new ATOM 0 HB2 GLN B 85 2.815 -10.415 4.554 1.00 0.00 H new ATOM 0 HB3 GLN B 85 2.741 -11.542 5.894 1.00 0.00 H new ATOM 0 HG2 GLN B 85 2.063 -13.351 4.321 1.00 0.00 H new ATOM 0 HG3 GLN B 85 2.169 -12.220 2.987 1.00 0.00 H new ATOM 0 HE21 GLN B 85 4.561 -10.842 4.175 1.00 0.00 H new ATOM 0 HE22 GLN B 85 5.912 -11.941 3.873 1.00 0.00 H new ATOM 2720 N ILE B 86 0.680 -8.796 6.082 1.00 0.00 N ATOM 2721 CA ILE B 86 0.491 -7.822 7.147 1.00 0.00 C ATOM 2722 C ILE B 86 -0.989 -7.673 7.507 1.00 0.00 C ATOM 2723 O ILE B 86 -1.352 -7.634 8.683 1.00 0.00 O ATOM 2724 CB ILE B 86 1.055 -6.440 6.748 1.00 0.00 C ATOM 2725 CG1 ILE B 86 2.553 -6.534 6.442 1.00 0.00 C ATOM 2726 CG2 ILE B 86 0.803 -5.423 7.851 1.00 0.00 C ATOM 2727 CD1 ILE B 86 3.160 -5.228 5.970 1.00 0.00 C ATOM 0 H ILE B 86 0.883 -8.387 5.170 1.00 0.00 H new ATOM 0 HA ILE B 86 1.035 -8.193 8.016 1.00 0.00 H new ATOM 0 HB ILE B 86 0.540 -6.109 5.846 1.00 0.00 H new ATOM 0 HG12 ILE B 86 3.078 -6.866 7.338 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.712 -7.296 5.679 1.00 0.00 H new ATOM 0 HG21 ILE B 86 1.207 -4.455 7.553 1.00 0.00 H new ATOM 0 HG22 ILE B 86 -0.269 -5.331 8.023 1.00 0.00 H new ATOM 0 HG23 ILE B 86 1.291 -5.753 8.768 1.00 0.00 H new ATOM 0 HD11 ILE B 86 4.222 -5.371 5.773 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.662 -4.904 5.056 1.00 0.00 H new ATOM 0 HD13 ILE B 86 3.033 -4.468 6.741 1.00 0.00 H new ATOM 2739 N LEU B 87 -1.841 -7.623 6.488 1.00 0.00 N ATOM 2740 CA LEU B 87 -3.263 -7.334 6.683 1.00 0.00 C ATOM 2741 C LEU B 87 -4.030 -8.535 7.231 1.00 0.00 C ATOM 2742 O LEU B 87 -5.257 -8.492 7.351 1.00 0.00 O ATOM 2743 CB LEU B 87 -3.893 -6.821 5.379 1.00 0.00 C ATOM 2744 CG LEU B 87 -3.796 -7.735 4.146 1.00 0.00 C ATOM 2745 CD1 LEU B 87 -4.830 -8.852 4.190 1.00 0.00 C ATOM 2746 CD2 LEU B 87 -3.956 -6.916 2.873 1.00 0.00 C ATOM 0 H LEU B 87 -1.574 -7.779 5.516 1.00 0.00 H new ATOM 0 HA LEU B 87 -3.334 -6.549 7.436 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -4.947 -6.620 5.569 1.00 0.00 H new ATOM 0 HB3 LEU B 87 -3.427 -5.868 5.131 1.00 0.00 H new ATOM 0 HG LEU B 87 -2.810 -8.199 4.153 1.00 0.00 H new ATOM 0 HD11 LEU B 87 -4.729 -9.476 3.302 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -4.671 -9.460 5.081 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -5.831 -8.421 4.219 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -3.886 -7.573 2.006 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -4.928 -6.424 2.877 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -3.169 -6.164 2.823 1.00 0.00 H new ATOM 2758 N SER B 88 -3.312 -9.596 7.554 1.00 0.00 N ATOM 2759 CA SER B 88 -3.917 -10.779 8.154 1.00 0.00 C ATOM 2760 C SER B 88 -4.430 -10.463 9.566 1.00 0.00 C ATOM 2761 O SER B 88 -4.216 -9.358 10.075 1.00 0.00 O ATOM 2762 CB SER B 88 -2.911 -11.935 8.190 1.00 0.00 C ATOM 2763 OG SER B 88 -3.539 -13.145 8.583 1.00 0.00 O ATOM 0 H SER B 88 -2.304 -9.666 7.411 1.00 0.00 H new ATOM 0 HA SER B 88 -4.766 -11.082 7.541 1.00 0.00 H new ATOM 0 HB2 SER B 88 -2.459 -12.059 7.206 1.00 0.00 H new ATOM 0 HB3 SER B 88 -2.104 -11.698 8.884 1.00 0.00 H new ATOM 0 HG SER B 88 -2.877 -13.868 8.597 1.00 0.00 H new ATOM 2769 N SER B 89 -5.091 -11.442 10.192 1.00 0.00 N ATOM 2770 CA SER B 89 -5.745 -11.244 11.486 1.00 0.00 C ATOM 2771 C SER B 89 -6.858 -10.199 11.353 1.00 0.00 C ATOM 2772 O SER B 89 -7.439 -10.070 10.279 1.00 0.00 O ATOM 2773 CB SER B 89 -4.710 -10.831 12.538 1.00 0.00 C ATOM 2774 OG SER B 89 -3.677 -11.803 12.637 1.00 0.00 O ATOM 0 H SER B 89 -5.187 -12.386 9.818 1.00 0.00 H new ATOM 0 HA SER B 89 -6.199 -12.180 11.812 1.00 0.00 H new ATOM 0 HB2 SER B 89 -4.282 -9.864 12.274 1.00 0.00 H new ATOM 0 HB3 SER B 89 -5.196 -10.710 13.506 1.00 0.00 H new ATOM 0 HG SER B 89 -3.025 -11.520 13.312 1.00 0.00 H new