USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=35 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 56 CYS SG : rot -123:sc= 0.028 USER MOD Set 1.2: B 59 CYS SG : rot 180:sc= -0.359 USER MOD Set 2.1: A 84 LYS NZ :NH3+ -124:sc= 0.204 (180deg=-0.0785) USER MOD Set 2.2: A 88 SER OG : rot -140:sc= -0.104 USER MOD Set 3.1: A 67 GLN : amide:sc= -0.0686 X(o=0.69,f=0.46) USER MOD Set 3.2: A 68 THR OG1 : rot -19:sc= 0.759 USER MOD Set 4.1: A 59 CYS SG : rot 180:sc= -0.539 USER MOD Set 4.2: A 78 CYS SG : rot 174:sc= -0.0236 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 22 MET CE :methyl 144:sc= -3.92! (180deg=-5.75!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -153:sc= -0.0676 (180deg=-0.455) USER MOD Single : A 35 THR OG1 : rot 67:sc= 1.21 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 69:sc= 0.845 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.0921 X(o=-0.092,f=-0.51) USER MOD Single : A 55 GLN : amide:sc= -1.78! K(o=-1.8!,f=-0.074) USER MOD Single : A 56 CYS SG : rot 180:sc= 0.418 USER MOD Single : A 57 LYS NZ :NH3+ -112:sc= 1.29 (180deg=-0.362) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.6!) USER MOD Single : A 85 GLN : amide:sc= -1.02 K(o=-1,f=-0.061) USER MOD Single : A 89 SER OG : rot -21:sc= 1.01 USER MOD Single : B 18 TYR OH : rot 180:sc= -0.0133 USER MOD Single : B 20 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.058) USER MOD Single : B 22 MET CE :methyl 175:sc= -0.61 (180deg=-0.659) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 THR OG1 : rot 180:sc=0.000614 USER MOD Single : B 32 LYS NZ :NH3+ 152:sc= 0.504 (180deg=0.325) USER MOD Single : B 35 THR OG1 : rot 81:sc= 1.27 USER MOD Single : B 39 LYS NZ :NH3+ -157:sc= -0.0918 (180deg=-0.528) USER MOD Single : B 40 THR OG1 : rot 180:sc= -0.409 USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 54 ASN : amide:sc= -0.0592 K(o=-0.059,f=-2!) USER MOD Single : B 55 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.5) USER MOD Single : B 57 LYS NZ :NH3+ 169:sc= 1.13 (180deg=1.04) USER MOD Single : B 62 SER OG : rot 34:sc= 0.00679 USER MOD Single : B 67 GLN : amide:sc= -1.25! K(o=-1.2!,f=-0.5) USER MOD Single : B 68 THR OG1 : rot -35:sc= 0.62 USER MOD Single : B 74 HIS : no HE2:sc= 0.374 K(o=0.37,f=-6.1!) USER MOD Single : B 78 CYS SG : rot 180:sc= -2.14! USER MOD Single : B 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 85 GLN : amide:sc= -0.373 X(o=-0.37,f=0) USER MOD Single : B 88 SER OG : rot 79:sc= 0.0373 USER MOD Single : B 89 SER OG : rot 49:sc= 0.2 USER MOD ----------------------------------------------------------------- ATOM 239 N LEU A 17 8.727 -7.447 12.729 1.00 0.00 N ATOM 240 CA LEU A 17 7.920 -7.460 13.934 1.00 0.00 C ATOM 241 C LEU A 17 6.442 -7.385 13.579 1.00 0.00 C ATOM 242 O LEU A 17 6.071 -7.512 12.413 1.00 0.00 O ATOM 243 CB LEU A 17 8.316 -6.301 14.857 1.00 0.00 C ATOM 244 CG LEU A 17 9.722 -6.402 15.454 1.00 0.00 C ATOM 245 CD1 LEU A 17 10.047 -5.157 16.265 1.00 0.00 C ATOM 246 CD2 LEU A 17 9.849 -7.648 16.321 1.00 0.00 C ATOM 0 HA LEU A 17 8.100 -8.395 14.465 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.241 -5.369 14.297 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.595 -6.242 15.672 1.00 0.00 H new ATOM 0 HG LEU A 17 10.437 -6.479 14.635 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.050 -5.246 16.682 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.999 -4.280 15.620 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.325 -5.052 17.075 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.856 -7.701 16.736 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.124 -7.602 17.133 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.659 -8.534 15.715 1.00 0.00 H new ATOM 258 N TYR A 18 5.611 -7.176 14.583 1.00 0.00 N ATOM 259 CA TYR A 18 4.171 -7.133 14.386 1.00 0.00 C ATOM 260 C TYR A 18 3.641 -5.751 14.750 1.00 0.00 C ATOM 261 O TYR A 18 4.411 -4.800 14.877 1.00 0.00 O ATOM 262 CB TYR A 18 3.499 -8.210 15.243 1.00 0.00 C ATOM 263 CG TYR A 18 2.453 -9.021 14.507 1.00 0.00 C ATOM 264 CD1 TYR A 18 2.825 -9.944 13.535 1.00 0.00 C ATOM 265 CD2 TYR A 18 1.099 -8.873 14.786 1.00 0.00 C ATOM 266 CE1 TYR A 18 1.879 -10.695 12.862 1.00 0.00 C ATOM 267 CE2 TYR A 18 0.148 -9.622 14.118 1.00 0.00 C ATOM 268 CZ TYR A 18 0.542 -10.532 13.157 1.00 0.00 C ATOM 269 OH TYR A 18 -0.406 -11.278 12.488 1.00 0.00 O ATOM 0 H TYR A 18 5.909 -7.033 15.548 1.00 0.00 H new ATOM 0 HA TYR A 18 3.942 -7.328 13.338 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.265 -8.885 15.625 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.034 -7.734 16.106 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.871 -10.076 13.302 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.785 -8.162 15.536 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.186 -11.406 12.109 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.900 -9.496 14.347 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.299 -11.042 12.816 1.00 0.00 H new ATOM 279 N PHE A 19 2.331 -5.639 14.919 1.00 0.00 N ATOM 280 CA PHE A 19 1.718 -4.368 15.278 1.00 0.00 C ATOM 281 C PHE A 19 2.026 -4.018 16.732 1.00 0.00 C ATOM 282 O PHE A 19 2.443 -4.882 17.507 1.00 0.00 O ATOM 283 CB PHE A 19 0.206 -4.413 15.043 1.00 0.00 C ATOM 284 CG PHE A 19 -0.166 -4.641 13.605 1.00 0.00 C ATOM 285 CD1 PHE A 19 0.135 -3.691 12.642 1.00 0.00 C ATOM 286 CD2 PHE A 19 -0.813 -5.800 13.217 1.00 0.00 C ATOM 287 CE1 PHE A 19 -0.202 -3.892 11.318 1.00 0.00 C ATOM 288 CE2 PHE A 19 -1.154 -6.010 11.895 1.00 0.00 C ATOM 289 CZ PHE A 19 -0.848 -5.054 10.944 1.00 0.00 C ATOM 0 H PHE A 19 1.673 -6.411 14.814 1.00 0.00 H new ATOM 0 HA PHE A 19 2.139 -3.591 14.640 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.226 -5.206 15.653 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.235 -3.475 15.381 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.640 -2.781 12.931 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.054 -6.550 13.956 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.039 -3.143 10.578 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.659 -6.920 11.605 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.114 -5.216 9.910 1.00 0.00 H new ATOM 299 N GLN A 20 1.831 -2.740 17.076 1.00 0.00 N ATOM 300 CA GLN A 20 2.106 -2.214 18.419 1.00 0.00 C ATOM 301 C GLN A 20 3.610 -2.088 18.659 1.00 0.00 C ATOM 302 O GLN A 20 4.110 -1.003 18.966 1.00 0.00 O ATOM 303 CB GLN A 20 1.451 -3.088 19.497 1.00 0.00 C ATOM 304 CG GLN A 20 1.526 -2.505 20.897 1.00 0.00 C ATOM 305 CD GLN A 20 0.780 -3.343 21.915 1.00 0.00 C ATOM 306 OE1 GLN A 20 0.684 -4.564 21.787 1.00 0.00 O ATOM 307 NE2 GLN A 20 0.225 -2.690 22.922 1.00 0.00 N ATOM 0 H GLN A 20 1.476 -2.037 16.427 1.00 0.00 H new ATOM 0 HA GLN A 20 1.670 -1.217 18.484 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.404 -3.245 19.236 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.930 -4.067 19.496 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.571 -2.420 21.196 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.114 -1.496 20.890 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.328 -1.678 22.992 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.306 -3.199 23.629 1.00 0.00 H new ATOM 316 N GLY A 21 4.327 -3.188 18.500 1.00 0.00 N ATOM 317 CA GLY A 21 5.765 -3.168 18.650 1.00 0.00 C ATOM 318 C GLY A 21 6.464 -2.928 17.328 1.00 0.00 C ATOM 319 O GLY A 21 7.016 -3.852 16.734 1.00 0.00 O ATOM 0 H GLY A 21 3.935 -4.101 18.268 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.046 -2.387 19.357 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.100 -4.116 19.072 1.00 0.00 H new ATOM 323 N MET A 22 6.432 -1.686 16.864 1.00 0.00 N ATOM 324 CA MET A 22 7.042 -1.326 15.590 1.00 0.00 C ATOM 325 C MET A 22 7.688 0.054 15.670 1.00 0.00 C ATOM 326 O MET A 22 7.225 0.925 16.409 1.00 0.00 O ATOM 327 CB MET A 22 6.005 -1.357 14.464 1.00 0.00 C ATOM 328 CG MET A 22 4.753 -0.547 14.753 1.00 0.00 C ATOM 329 SD MET A 22 3.629 -0.463 13.342 1.00 0.00 S ATOM 330 CE MET A 22 3.423 -2.201 12.955 1.00 0.00 C ATOM 0 H MET A 22 5.989 -0.908 17.352 1.00 0.00 H new ATOM 0 HA MET A 22 7.817 -2.060 15.370 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.465 -0.981 13.550 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.720 -2.392 14.275 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.230 -0.987 15.602 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.039 0.464 15.044 1.00 0.00 H new ATOM 0 HE1 MET A 22 2.400 -2.381 12.625 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.115 -2.482 12.161 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.628 -2.798 13.843 1.00 0.00 H new ATOM 340 N THR A 23 8.761 0.236 14.910 1.00 0.00 N ATOM 341 CA THR A 23 9.515 1.484 14.915 1.00 0.00 C ATOM 342 C THR A 23 9.797 1.954 13.476 1.00 0.00 C ATOM 343 O THR A 23 9.025 1.649 12.564 1.00 0.00 O ATOM 344 CB THR A 23 10.841 1.302 15.695 1.00 0.00 C ATOM 345 OG1 THR A 23 11.577 0.188 15.169 1.00 0.00 O ATOM 346 CG2 THR A 23 10.573 1.074 17.174 1.00 0.00 C ATOM 0 H THR A 23 9.131 -0.472 14.276 1.00 0.00 H new ATOM 0 HA THR A 23 8.918 2.248 15.412 1.00 0.00 H new ATOM 0 HB THR A 23 11.427 2.214 15.579 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.414 0.084 15.668 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.519 0.949 17.700 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.041 1.932 17.584 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.967 0.177 17.300 1.00 0.00 H new ATOM 354 N ASP A 24 10.901 2.693 13.286 1.00 0.00 N ATOM 355 CA ASP A 24 11.288 3.252 11.981 1.00 0.00 C ATOM 356 C ASP A 24 11.148 2.250 10.836 1.00 0.00 C ATOM 357 O ASP A 24 10.608 2.584 9.779 1.00 0.00 O ATOM 358 CB ASP A 24 12.742 3.738 12.025 1.00 0.00 C ATOM 359 CG ASP A 24 12.903 5.105 12.659 1.00 0.00 C ATOM 360 OD1 ASP A 24 12.759 5.219 13.895 1.00 0.00 O ATOM 361 OD2 ASP A 24 13.193 6.072 11.921 1.00 0.00 O ATOM 0 H ASP A 24 11.553 2.921 14.036 1.00 0.00 H new ATOM 0 HA ASP A 24 10.605 4.080 11.790 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.342 3.016 12.580 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.138 3.768 11.010 1.00 0.00 H new ATOM 366 N THR A 25 11.647 1.035 11.044 1.00 0.00 N ATOM 367 CA THR A 25 11.649 0.008 10.007 1.00 0.00 C ATOM 368 C THR A 25 10.251 -0.226 9.435 1.00 0.00 C ATOM 369 O THR A 25 10.075 -0.294 8.219 1.00 0.00 O ATOM 370 CB THR A 25 12.205 -1.317 10.561 1.00 0.00 C ATOM 371 OG1 THR A 25 13.462 -1.074 11.204 1.00 0.00 O ATOM 372 CG2 THR A 25 12.388 -2.342 9.452 1.00 0.00 C ATOM 0 H THR A 25 12.058 0.736 11.928 1.00 0.00 H new ATOM 0 HA THR A 25 12.291 0.366 9.202 1.00 0.00 H new ATOM 0 HB THR A 25 11.490 -1.717 11.280 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.816 -1.916 11.559 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.782 -3.267 9.873 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.427 -2.540 8.977 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.087 -1.955 8.710 1.00 0.00 H new ATOM 380 N ALA A 26 9.260 -0.308 10.313 1.00 0.00 N ATOM 381 CA ALA A 26 7.891 -0.581 9.895 1.00 0.00 C ATOM 382 C ALA A 26 7.350 0.556 9.035 1.00 0.00 C ATOM 383 O ALA A 26 6.668 0.323 8.039 1.00 0.00 O ATOM 384 CB ALA A 26 7.001 -0.799 11.108 1.00 0.00 C ATOM 0 H ALA A 26 9.378 -0.189 11.319 1.00 0.00 H new ATOM 0 HA ALA A 26 7.892 -1.491 9.295 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.982 -1.002 10.780 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.372 -1.647 11.684 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.010 0.095 11.731 1.00 0.00 H new ATOM 390 N ALA A 27 7.682 1.782 9.411 1.00 0.00 N ATOM 391 CA ALA A 27 7.208 2.954 8.690 1.00 0.00 C ATOM 392 C ALA A 27 7.773 2.987 7.274 1.00 0.00 C ATOM 393 O ALA A 27 7.078 3.345 6.322 1.00 0.00 O ATOM 394 CB ALA A 27 7.584 4.222 9.441 1.00 0.00 C ATOM 0 H ALA A 27 8.278 1.991 10.212 1.00 0.00 H new ATOM 0 HA ALA A 27 6.122 2.896 8.620 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.224 5.091 8.891 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.130 4.206 10.432 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.668 4.279 9.539 1.00 0.00 H new ATOM 400 N GLU A 28 9.033 2.599 7.137 1.00 0.00 N ATOM 401 CA GLU A 28 9.687 2.595 5.840 1.00 0.00 C ATOM 402 C GLU A 28 9.229 1.406 4.998 1.00 0.00 C ATOM 403 O GLU A 28 9.060 1.525 3.784 1.00 0.00 O ATOM 404 CB GLU A 28 11.205 2.578 6.006 1.00 0.00 C ATOM 405 CG GLU A 28 11.953 2.539 4.684 1.00 0.00 C ATOM 406 CD GLU A 28 13.394 2.958 4.820 1.00 0.00 C ATOM 407 OE1 GLU A 28 13.664 4.184 4.755 1.00 0.00 O ATOM 408 OE2 GLU A 28 14.261 2.072 4.991 1.00 0.00 O ATOM 0 H GLU A 28 9.621 2.283 7.909 1.00 0.00 H new ATOM 0 HA GLU A 28 9.404 3.509 5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.513 3.463 6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.489 1.711 6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.909 1.529 4.276 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.454 3.194 3.969 1.00 0.00 H new ATOM 415 N ASP A 29 9.015 0.271 5.648 1.00 0.00 N ATOM 416 CA ASP A 29 8.574 -0.936 4.953 1.00 0.00 C ATOM 417 C ASP A 29 7.189 -0.722 4.352 1.00 0.00 C ATOM 418 O ASP A 29 6.932 -1.095 3.208 1.00 0.00 O ATOM 419 CB ASP A 29 8.573 -2.132 5.907 1.00 0.00 C ATOM 420 CG ASP A 29 8.607 -3.457 5.168 1.00 0.00 C ATOM 421 OD1 ASP A 29 9.338 -3.556 4.158 1.00 0.00 O ATOM 422 OD2 ASP A 29 7.939 -4.412 5.618 1.00 0.00 O ATOM 0 H ASP A 29 9.139 0.158 6.654 1.00 0.00 H new ATOM 0 HA ASP A 29 9.272 -1.148 4.143 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.436 -2.066 6.570 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.684 -2.092 6.536 1.00 0.00 H new ATOM 427 N VAL A 30 6.309 -0.079 5.115 1.00 0.00 N ATOM 428 CA VAL A 30 4.981 0.266 4.619 1.00 0.00 C ATOM 429 C VAL A 30 5.075 1.356 3.546 1.00 0.00 C ATOM 430 O VAL A 30 4.304 1.360 2.586 1.00 0.00 O ATOM 431 CB VAL A 30 4.037 0.718 5.760 1.00 0.00 C ATOM 432 CG1 VAL A 30 2.678 1.141 5.218 1.00 0.00 C ATOM 433 CG2 VAL A 30 3.868 -0.397 6.778 1.00 0.00 C ATOM 0 H VAL A 30 6.491 0.212 6.075 1.00 0.00 H new ATOM 0 HA VAL A 30 4.556 -0.635 4.176 1.00 0.00 H new ATOM 0 HB VAL A 30 4.491 1.581 6.247 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.038 1.453 6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.806 1.972 4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.216 0.302 4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.202 -0.065 7.574 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.442 -1.274 6.290 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.839 -0.654 7.201 1.00 0.00 H new ATOM 443 N ARG A 31 6.036 2.269 3.698 1.00 0.00 N ATOM 444 CA ARG A 31 6.295 3.288 2.676 1.00 0.00 C ATOM 445 C ARG A 31 6.704 2.619 1.368 1.00 0.00 C ATOM 446 O ARG A 31 6.325 3.060 0.282 1.00 0.00 O ATOM 447 CB ARG A 31 7.411 4.242 3.112 1.00 0.00 C ATOM 448 CG ARG A 31 7.641 5.394 2.141 1.00 0.00 C ATOM 449 CD ARG A 31 9.016 6.017 2.315 1.00 0.00 C ATOM 450 NE ARG A 31 9.293 6.379 3.702 1.00 0.00 N ATOM 451 CZ ARG A 31 10.421 6.063 4.331 1.00 0.00 C ATOM 452 NH1 ARG A 31 11.386 5.415 3.683 1.00 0.00 N ATOM 453 NH2 ARG A 31 10.589 6.409 5.601 1.00 0.00 N ATOM 0 H ARG A 31 6.646 2.325 4.514 1.00 0.00 H new ATOM 0 HA ARG A 31 5.377 3.859 2.537 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.168 4.648 4.094 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.338 3.679 3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.533 5.033 1.118 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.876 6.155 2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.775 5.317 1.967 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.091 6.906 1.689 1.00 0.00 H new ATOM 0 HE ARG A 31 8.584 6.902 4.216 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.261 5.161 2.703 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.251 5.173 4.166 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.854 6.916 6.093 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.454 6.167 6.085 1.00 0.00 H new ATOM 467 N LYS A 32 7.485 1.552 1.488 1.00 0.00 N ATOM 468 CA LYS A 32 7.937 0.784 0.334 1.00 0.00 C ATOM 469 C LYS A 32 6.736 0.173 -0.391 1.00 0.00 C ATOM 470 O LYS A 32 6.686 0.145 -1.622 1.00 0.00 O ATOM 471 CB LYS A 32 8.905 -0.311 0.796 1.00 0.00 C ATOM 472 CG LYS A 32 9.598 -1.071 -0.329 1.00 0.00 C ATOM 473 CD LYS A 32 10.491 -0.165 -1.166 1.00 0.00 C ATOM 474 CE LYS A 32 9.828 0.216 -2.482 1.00 0.00 C ATOM 475 NZ LYS A 32 9.619 -0.963 -3.365 1.00 0.00 N ATOM 0 H LYS A 32 7.821 1.196 2.383 1.00 0.00 H new ATOM 0 HA LYS A 32 8.457 1.443 -0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.666 0.142 1.432 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.357 -1.024 1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.196 -1.878 0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.847 -1.533 -0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.725 0.738 -0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.436 -0.670 -1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.868 0.692 -2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.445 0.951 -2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.610 -0.655 -4.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.390 -1.646 -3.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.710 -1.413 -3.134 1.00 0.00 H new ATOM 489 N ILE A 33 5.768 -0.300 0.387 1.00 0.00 N ATOM 490 CA ILE A 33 4.524 -0.830 -0.161 1.00 0.00 C ATOM 491 C ILE A 33 3.711 0.291 -0.807 1.00 0.00 C ATOM 492 O ILE A 33 3.183 0.135 -1.909 1.00 0.00 O ATOM 493 CB ILE A 33 3.672 -1.512 0.931 1.00 0.00 C ATOM 494 CG1 ILE A 33 4.475 -2.623 1.607 1.00 0.00 C ATOM 495 CG2 ILE A 33 2.389 -2.076 0.332 1.00 0.00 C ATOM 496 CD1 ILE A 33 3.777 -3.246 2.797 1.00 0.00 C ATOM 0 H ILE A 33 5.822 -0.327 1.405 1.00 0.00 H new ATOM 0 HA ILE A 33 4.787 -1.575 -0.912 1.00 0.00 H new ATOM 0 HB ILE A 33 3.404 -0.767 1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.688 -3.401 0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.434 -2.219 1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.801 -2.553 1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.810 -1.268 -0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.637 -2.811 -0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.409 -4.025 3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.588 -2.481 3.550 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.830 -3.681 2.477 1.00 0.00 H new ATOM 508 N ALA A 34 3.628 1.424 -0.115 1.00 0.00 N ATOM 509 CA ALA A 34 2.920 2.591 -0.626 1.00 0.00 C ATOM 510 C ALA A 34 3.514 3.057 -1.952 1.00 0.00 C ATOM 511 O ALA A 34 2.785 3.413 -2.876 1.00 0.00 O ATOM 512 CB ALA A 34 2.950 3.718 0.393 1.00 0.00 C ATOM 0 H ALA A 34 4.045 1.558 0.806 1.00 0.00 H new ATOM 0 HA ALA A 34 1.883 2.306 -0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.417 4.582 -0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.471 3.388 1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.984 3.994 0.600 1.00 0.00 H new ATOM 518 N THR A 35 4.836 3.033 -2.047 1.00 0.00 N ATOM 519 CA THR A 35 5.522 3.418 -3.271 1.00 0.00 C ATOM 520 C THR A 35 5.121 2.495 -4.423 1.00 0.00 C ATOM 521 O THR A 35 4.964 2.933 -5.564 1.00 0.00 O ATOM 522 CB THR A 35 7.053 3.374 -3.080 1.00 0.00 C ATOM 523 OG1 THR A 35 7.428 4.178 -1.953 1.00 0.00 O ATOM 524 CG2 THR A 35 7.776 3.873 -4.323 1.00 0.00 C ATOM 0 H THR A 35 5.456 2.750 -1.288 1.00 0.00 H new ATOM 0 HA THR A 35 5.228 4.439 -3.512 1.00 0.00 H new ATOM 0 HB THR A 35 7.342 2.338 -2.905 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.082 3.771 -1.131 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.853 3.831 -4.159 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.513 3.244 -5.174 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.480 4.902 -4.527 1.00 0.00 H new ATOM 532 N ALA A 36 4.923 1.221 -4.107 1.00 0.00 N ATOM 533 CA ALA A 36 4.553 0.236 -5.111 1.00 0.00 C ATOM 534 C ALA A 36 3.135 0.473 -5.616 1.00 0.00 C ATOM 535 O ALA A 36 2.887 0.433 -6.821 1.00 0.00 O ATOM 536 CB ALA A 36 4.696 -1.170 -4.556 1.00 0.00 C ATOM 0 H ALA A 36 5.013 0.847 -3.162 1.00 0.00 H new ATOM 0 HA ALA A 36 5.232 0.345 -5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.415 -1.894 -5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.731 -1.340 -4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.045 -1.287 -3.689 1.00 0.00 H new ATOM 542 N LEU A 37 2.205 0.740 -4.703 1.00 0.00 N ATOM 543 CA LEU A 37 0.819 0.955 -5.088 1.00 0.00 C ATOM 544 C LEU A 37 0.655 2.270 -5.855 1.00 0.00 C ATOM 545 O LEU A 37 -0.266 2.414 -6.655 1.00 0.00 O ATOM 546 CB LEU A 37 -0.111 0.884 -3.866 1.00 0.00 C ATOM 547 CG LEU A 37 0.145 1.887 -2.734 1.00 0.00 C ATOM 548 CD1 LEU A 37 -0.533 3.221 -3.015 1.00 0.00 C ATOM 549 CD2 LEU A 37 -0.335 1.319 -1.407 1.00 0.00 C ATOM 0 H LEU A 37 2.386 0.812 -3.702 1.00 0.00 H new ATOM 0 HA LEU A 37 0.528 0.151 -5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.136 1.019 -4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.045 -0.121 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 37 1.219 2.062 -2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.333 3.911 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.143 3.639 -3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.608 3.070 -3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.147 2.041 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.404 1.113 -1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.201 0.395 -1.191 1.00 0.00 H new ATOM 561 N LEU A 38 1.563 3.217 -5.628 1.00 0.00 N ATOM 562 CA LEU A 38 1.588 4.454 -6.408 1.00 0.00 C ATOM 563 C LEU A 38 1.969 4.153 -7.851 1.00 0.00 C ATOM 564 O LEU A 38 1.502 4.805 -8.783 1.00 0.00 O ATOM 565 CB LEU A 38 2.586 5.457 -5.821 1.00 0.00 C ATOM 566 CG LEU A 38 2.236 6.013 -4.440 1.00 0.00 C ATOM 567 CD1 LEU A 38 3.306 6.994 -3.988 1.00 0.00 C ATOM 568 CD2 LEU A 38 0.868 6.683 -4.459 1.00 0.00 C ATOM 0 H LEU A 38 2.288 3.153 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 38 0.591 4.892 -6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.563 4.977 -5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.683 6.292 -6.514 1.00 0.00 H new ATOM 0 HG LEU A 38 2.196 5.186 -3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.049 7.385 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.268 6.484 -3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.369 7.817 -4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.639 7.071 -3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.874 7.503 -5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.110 5.955 -4.747 1.00 0.00 H new ATOM 580 N LYS A 39 2.817 3.151 -8.020 1.00 0.00 N ATOM 581 CA LYS A 39 3.270 2.737 -9.339 1.00 0.00 C ATOM 582 C LYS A 39 2.232 1.817 -9.979 1.00 0.00 C ATOM 583 O LYS A 39 2.306 1.495 -11.163 1.00 0.00 O ATOM 584 CB LYS A 39 4.609 2.008 -9.215 1.00 0.00 C ATOM 585 CG LYS A 39 5.443 2.028 -10.484 1.00 0.00 C ATOM 586 CD LYS A 39 5.864 3.442 -10.840 1.00 0.00 C ATOM 587 CE LYS A 39 6.847 3.457 -11.996 1.00 0.00 C ATOM 588 NZ LYS A 39 7.305 4.834 -12.308 1.00 0.00 N ATOM 0 H LYS A 39 3.209 2.605 -7.253 1.00 0.00 H new ATOM 0 HA LYS A 39 3.398 3.617 -9.969 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.184 2.461 -8.407 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.422 0.972 -8.931 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.327 1.405 -10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.870 1.598 -11.306 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.984 4.029 -11.102 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.317 3.917 -9.970 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.707 2.834 -11.751 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.378 3.020 -12.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.975 4.805 -13.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.487 5.422 -12.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.774 5.241 -11.474 1.00 0.00 H new ATOM 602 N THR A 40 1.272 1.397 -9.168 1.00 0.00 N ATOM 603 CA THR A 40 0.243 0.466 -9.606 1.00 0.00 C ATOM 604 C THR A 40 -1.046 1.196 -9.993 1.00 0.00 C ATOM 605 O THR A 40 -1.593 0.985 -11.077 1.00 0.00 O ATOM 606 CB THR A 40 -0.064 -0.555 -8.489 1.00 0.00 C ATOM 607 OG1 THR A 40 1.149 -1.172 -8.048 1.00 0.00 O ATOM 608 CG2 THR A 40 -1.022 -1.630 -8.969 1.00 0.00 C ATOM 0 H THR A 40 1.185 1.689 -8.195 1.00 0.00 H new ATOM 0 HA THR A 40 0.623 -0.053 -10.486 1.00 0.00 H new ATOM 0 HB THR A 40 -0.532 -0.016 -7.665 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.697 -0.513 -7.572 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.217 -2.332 -8.158 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.959 -1.169 -9.283 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.580 -2.162 -9.811 1.00 0.00 H new ATOM 616 N ALA A 41 -1.519 2.066 -9.108 1.00 0.00 N ATOM 617 CA ALA A 41 -2.812 2.712 -9.289 1.00 0.00 C ATOM 618 C ALA A 41 -2.698 4.061 -9.992 1.00 0.00 C ATOM 619 O ALA A 41 -3.711 4.698 -10.279 1.00 0.00 O ATOM 620 CB ALA A 41 -3.496 2.881 -7.944 1.00 0.00 C ATOM 0 H ALA A 41 -1.026 2.340 -8.258 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.411 2.066 -9.931 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.463 3.365 -8.086 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.643 1.903 -7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.874 3.497 -7.294 1.00 0.00 H new ATOM 626 N ILE A 42 -1.478 4.504 -10.257 1.00 0.00 N ATOM 627 CA ILE A 42 -1.271 5.776 -10.939 1.00 0.00 C ATOM 628 C ILE A 42 -0.449 5.566 -12.203 1.00 0.00 C ATOM 629 O ILE A 42 0.714 5.154 -12.137 1.00 0.00 O ATOM 630 CB ILE A 42 -0.563 6.811 -10.035 1.00 0.00 C ATOM 631 CG1 ILE A 42 -1.367 7.034 -8.748 1.00 0.00 C ATOM 632 CG2 ILE A 42 -0.371 8.127 -10.784 1.00 0.00 C ATOM 633 CD1 ILE A 42 -0.704 7.980 -7.772 1.00 0.00 C ATOM 0 H ILE A 42 -0.621 4.007 -10.013 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.255 6.168 -11.195 1.00 0.00 H new ATOM 0 HB ILE A 42 0.419 6.423 -9.764 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.351 7.425 -9.008 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.525 6.073 -8.258 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.129 8.846 -10.135 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.238 7.955 -11.671 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.343 8.521 -11.082 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.331 8.088 -6.887 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.268 7.581 -7.482 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.570 8.954 -8.243 1.00 0.00 H new ATOM 645 N GLU A 43 -1.054 5.851 -13.348 1.00 0.00 N ATOM 646 CA GLU A 43 -0.399 5.632 -14.632 1.00 0.00 C ATOM 647 C GLU A 43 -0.500 6.875 -15.516 1.00 0.00 C ATOM 648 O GLU A 43 -1.369 7.730 -15.315 1.00 0.00 O ATOM 649 CB GLU A 43 -1.020 4.417 -15.338 1.00 0.00 C ATOM 650 CG GLU A 43 -0.312 4.017 -16.625 1.00 0.00 C ATOM 651 CD GLU A 43 1.156 3.726 -16.410 1.00 0.00 C ATOM 652 OE1 GLU A 43 1.948 4.684 -16.297 1.00 0.00 O ATOM 653 OE2 GLU A 43 1.527 2.538 -16.363 1.00 0.00 O ATOM 0 H GLU A 43 -1.997 6.234 -13.415 1.00 0.00 H new ATOM 0 HA GLU A 43 0.658 5.434 -14.451 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.012 3.569 -14.653 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.064 4.635 -15.563 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.797 3.135 -17.044 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.417 4.817 -17.358 1.00 0.00 H new ATOM 660 N ILE A 44 0.403 6.970 -16.485 1.00 0.00 N ATOM 661 CA ILE A 44 0.411 8.077 -17.426 1.00 0.00 C ATOM 662 C ILE A 44 -0.525 7.804 -18.595 1.00 0.00 C ATOM 663 O ILE A 44 -0.372 6.819 -19.317 1.00 0.00 O ATOM 664 CB ILE A 44 1.831 8.338 -17.977 1.00 0.00 C ATOM 665 CG1 ILE A 44 2.777 8.799 -16.863 1.00 0.00 C ATOM 666 CG2 ILE A 44 1.796 9.365 -19.102 1.00 0.00 C ATOM 667 CD1 ILE A 44 2.412 10.144 -16.277 1.00 0.00 C ATOM 0 H ILE A 44 1.144 6.286 -16.638 1.00 0.00 H new ATOM 0 HA ILE A 44 0.071 8.958 -16.882 1.00 0.00 H new ATOM 0 HB ILE A 44 2.209 7.398 -18.379 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.778 8.054 -16.068 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.792 8.847 -17.257 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.807 9.532 -19.474 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.168 8.995 -19.913 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.388 10.303 -18.726 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.125 10.406 -15.495 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.439 10.901 -17.060 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.409 10.096 -15.853 1.00 0.00 H new ATOM 679 N VAL A 45 -1.500 8.675 -18.768 1.00 0.00 N ATOM 680 CA VAL A 45 -2.362 8.631 -19.932 1.00 0.00 C ATOM 681 C VAL A 45 -2.196 9.920 -20.732 1.00 0.00 C ATOM 682 O VAL A 45 -2.645 10.990 -20.324 1.00 0.00 O ATOM 683 CB VAL A 45 -3.839 8.403 -19.547 1.00 0.00 C ATOM 684 CG1 VAL A 45 -4.072 6.945 -19.175 1.00 0.00 C ATOM 685 CG2 VAL A 45 -4.252 9.303 -18.395 1.00 0.00 C ATOM 0 H VAL A 45 -1.715 9.426 -18.112 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.066 7.782 -20.549 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.451 8.653 -20.413 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.118 6.801 -18.906 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.825 6.309 -20.025 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.440 6.680 -18.327 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.297 9.119 -18.147 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.630 9.090 -17.526 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.126 10.346 -18.685 1.00 0.00 H new ATOM 772 N HIS A 53 -0.724 12.932 -18.927 1.00 0.00 N ATOM 773 CA HIS A 53 -1.578 13.263 -17.795 1.00 0.00 C ATOM 774 C HIS A 53 -1.568 12.135 -16.778 1.00 0.00 C ATOM 775 O HIS A 53 -1.683 10.962 -17.136 1.00 0.00 O ATOM 776 CB HIS A 53 -3.012 13.552 -18.251 1.00 0.00 C ATOM 777 CG HIS A 53 -3.178 14.904 -18.868 1.00 0.00 C ATOM 778 ND1 HIS A 53 -3.625 15.996 -18.161 1.00 0.00 N ATOM 779 CD2 HIS A 53 -2.930 15.348 -20.124 1.00 0.00 C ATOM 780 CE1 HIS A 53 -3.642 17.050 -18.949 1.00 0.00 C ATOM 781 NE2 HIS A 53 -3.229 16.686 -20.144 1.00 0.00 N ATOM 0 HA HIS A 53 -1.182 14.165 -17.327 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.316 12.792 -18.971 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.682 13.467 -17.395 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.566 14.759 -20.953 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.944 18.047 -18.663 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -3.145 17.300 -20.954 1.00 0.00 H new ATOM 790 N ASN A 54 -1.402 12.489 -15.515 1.00 0.00 N ATOM 791 CA ASN A 54 -1.427 11.510 -14.437 1.00 0.00 C ATOM 792 C ASN A 54 -2.853 11.291 -13.959 1.00 0.00 C ATOM 793 O ASN A 54 -3.513 12.234 -13.529 1.00 0.00 O ATOM 794 CB ASN A 54 -0.571 11.977 -13.256 1.00 0.00 C ATOM 795 CG ASN A 54 0.909 12.056 -13.579 1.00 0.00 C ATOM 796 OD1 ASN A 54 1.394 13.068 -14.079 1.00 0.00 O ATOM 797 ND2 ASN A 54 1.640 10.994 -13.277 1.00 0.00 N ATOM 0 H ASN A 54 -1.248 13.450 -15.208 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.021 10.576 -14.824 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.917 12.958 -12.931 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.717 11.294 -12.419 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.644 10.997 -13.459 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.199 10.173 -12.863 1.00 0.00 H new ATOM 804 N GLN A 55 -3.333 10.061 -14.056 1.00 0.00 N ATOM 805 CA GLN A 55 -4.634 9.712 -13.501 1.00 0.00 C ATOM 806 C GLN A 55 -4.513 8.504 -12.587 1.00 0.00 C ATOM 807 O GLN A 55 -3.798 7.549 -12.898 1.00 0.00 O ATOM 808 CB GLN A 55 -5.671 9.423 -14.593 1.00 0.00 C ATOM 809 CG GLN A 55 -6.190 10.663 -15.302 1.00 0.00 C ATOM 810 CD GLN A 55 -7.570 10.452 -15.908 1.00 0.00 C ATOM 811 OE1 GLN A 55 -8.590 10.689 -15.257 1.00 0.00 O ATOM 812 NE2 GLN A 55 -7.617 10.015 -17.155 1.00 0.00 N ATOM 0 H GLN A 55 -2.845 9.290 -14.511 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.978 10.575 -12.931 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.228 8.754 -15.331 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.513 8.893 -14.148 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.230 11.492 -14.595 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.491 10.948 -16.088 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.752 9.829 -17.663 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.518 9.864 -17.609 1.00 0.00 H new ATOM 821 N CYS A 56 -5.200 8.554 -11.457 1.00 0.00 N ATOM 822 CA CYS A 56 -5.217 7.434 -10.535 1.00 0.00 C ATOM 823 C CYS A 56 -6.489 6.619 -10.728 1.00 0.00 C ATOM 824 O CYS A 56 -7.582 7.173 -10.856 1.00 0.00 O ATOM 825 CB CYS A 56 -5.103 7.923 -9.088 1.00 0.00 C ATOM 826 SG CYS A 56 -6.345 9.147 -8.616 1.00 0.00 S ATOM 0 H CYS A 56 -5.752 9.358 -11.158 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.358 6.796 -10.744 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.183 7.066 -8.420 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.112 8.352 -8.939 1.00 0.00 H new ATOM 0 HG CYS A 56 -6.164 9.493 -7.376 1.00 0.00 H new ATOM 832 N LYS A 57 -6.335 5.304 -10.732 1.00 0.00 N ATOM 833 CA LYS A 57 -7.437 4.386 -10.987 1.00 0.00 C ATOM 834 C LYS A 57 -8.356 4.312 -9.770 1.00 0.00 C ATOM 835 O LYS A 57 -9.455 3.764 -9.838 1.00 0.00 O ATOM 836 CB LYS A 57 -6.873 2.993 -11.308 1.00 0.00 C ATOM 837 CG LYS A 57 -7.904 1.958 -11.753 1.00 0.00 C ATOM 838 CD LYS A 57 -8.206 2.036 -13.247 1.00 0.00 C ATOM 839 CE LYS A 57 -9.010 3.272 -13.620 1.00 0.00 C ATOM 840 NZ LYS A 57 -9.346 3.296 -15.070 1.00 0.00 N ATOM 0 H LYS A 57 -5.442 4.842 -10.559 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.017 4.747 -11.836 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.123 3.095 -12.092 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.360 2.614 -10.424 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.539 0.960 -11.511 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.827 2.105 -11.191 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.269 2.036 -13.803 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.756 1.145 -13.549 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.928 3.299 -13.034 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.442 4.166 -13.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.829 4.070 -15.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.075 2.391 -15.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.369 3.444 -15.187 1.00 0.00 H new ATOM 854 N LEU A 58 -7.902 4.885 -8.665 1.00 0.00 N ATOM 855 CA LEU A 58 -8.600 4.756 -7.397 1.00 0.00 C ATOM 856 C LEU A 58 -9.583 5.906 -7.161 1.00 0.00 C ATOM 857 O LEU A 58 -10.735 5.679 -6.800 1.00 0.00 O ATOM 858 CB LEU A 58 -7.584 4.696 -6.256 1.00 0.00 C ATOM 859 CG LEU A 58 -8.066 3.965 -5.007 1.00 0.00 C ATOM 860 CD1 LEU A 58 -8.346 2.507 -5.334 1.00 0.00 C ATOM 861 CD2 LEU A 58 -7.035 4.076 -3.896 1.00 0.00 C ATOM 0 H LEU A 58 -7.051 5.445 -8.622 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.179 3.833 -7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.680 4.208 -6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.308 5.714 -5.980 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.990 4.429 -4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.690 1.992 -4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.116 2.448 -6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.434 2.034 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.394 3.549 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.096 3.632 -4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.875 5.126 -3.652 1.00 0.00 H new ATOM 873 N CYS A 59 -9.127 7.138 -7.359 1.00 0.00 N ATOM 874 CA CYS A 59 -9.947 8.302 -7.035 1.00 0.00 C ATOM 875 C CYS A 59 -10.317 9.116 -8.271 1.00 0.00 C ATOM 876 O CYS A 59 -11.035 10.111 -8.165 1.00 0.00 O ATOM 877 CB CYS A 59 -9.216 9.192 -6.030 1.00 0.00 C ATOM 878 SG CYS A 59 -8.837 8.374 -4.463 1.00 0.00 S ATOM 0 H CYS A 59 -8.205 7.356 -7.738 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.875 7.931 -6.599 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.287 9.542 -6.479 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.826 10.073 -5.830 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.217 9.205 -3.679 1.00 0.00 H new ATOM 884 N GLY A 60 -9.818 8.707 -9.434 1.00 0.00 N ATOM 885 CA GLY A 60 -10.126 9.420 -10.663 1.00 0.00 C ATOM 886 C GLY A 60 -9.617 10.850 -10.652 1.00 0.00 C ATOM 887 O GLY A 60 -10.314 11.769 -11.085 1.00 0.00 O ATOM 0 H GLY A 60 -9.208 7.898 -9.548 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.686 8.888 -11.507 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.205 9.424 -10.816 1.00 0.00 H new ATOM 891 N ALA A 61 -8.410 11.044 -10.138 1.00 0.00 N ATOM 892 CA ALA A 61 -7.799 12.362 -10.104 1.00 0.00 C ATOM 893 C ALA A 61 -6.805 12.498 -11.240 1.00 0.00 C ATOM 894 O ALA A 61 -5.971 11.614 -11.450 1.00 0.00 O ATOM 895 CB ALA A 61 -7.118 12.604 -8.766 1.00 0.00 C ATOM 0 H ALA A 61 -7.835 10.302 -9.738 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.579 13.113 -10.226 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.667 13.596 -8.762 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.855 12.537 -7.965 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.344 11.853 -8.611 1.00 0.00 H new ATOM 901 N SER A 62 -6.906 13.589 -11.980 1.00 0.00 N ATOM 902 CA SER A 62 -6.029 13.826 -13.110 1.00 0.00 C ATOM 903 C SER A 62 -5.221 15.107 -12.925 1.00 0.00 C ATOM 904 O SER A 62 -5.717 16.094 -12.378 1.00 0.00 O ATOM 905 CB SER A 62 -6.853 13.888 -14.393 1.00 0.00 C ATOM 906 OG SER A 62 -8.052 14.621 -14.193 1.00 0.00 O ATOM 0 H SER A 62 -7.591 14.327 -11.816 1.00 0.00 H new ATOM 0 HA SER A 62 -5.320 13.001 -13.179 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.266 14.354 -15.184 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.091 12.878 -14.725 1.00 0.00 H new ATOM 0 HG SER A 62 -8.562 14.648 -15.029 1.00 0.00 H new ATOM 912 N VAL A 63 -3.971 15.079 -13.367 1.00 0.00 N ATOM 913 CA VAL A 63 -3.095 16.239 -13.274 1.00 0.00 C ATOM 914 C VAL A 63 -2.098 16.236 -14.439 1.00 0.00 C ATOM 915 O VAL A 63 -1.654 15.171 -14.873 1.00 0.00 O ATOM 916 CB VAL A 63 -2.343 16.254 -11.914 1.00 0.00 C ATOM 917 CG1 VAL A 63 -1.403 15.067 -11.789 1.00 0.00 C ATOM 918 CG2 VAL A 63 -1.588 17.559 -11.709 1.00 0.00 C ATOM 0 H VAL A 63 -3.539 14.261 -13.796 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.704 17.141 -13.333 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.095 16.174 -11.129 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.892 15.107 -10.827 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.974 14.141 -11.858 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.667 15.100 -12.592 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.074 17.535 -10.748 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.858 17.686 -12.508 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -2.291 18.392 -11.724 1.00 0.00 H new ATOM 928 N PRO A 64 -1.789 17.415 -15.008 1.00 0.00 N ATOM 929 CA PRO A 64 -0.758 17.549 -16.043 1.00 0.00 C ATOM 930 C PRO A 64 0.605 17.042 -15.567 1.00 0.00 C ATOM 931 O PRO A 64 1.019 17.300 -14.434 1.00 0.00 O ATOM 932 CB PRO A 64 -0.709 19.056 -16.327 1.00 0.00 C ATOM 933 CG PRO A 64 -1.420 19.700 -15.185 1.00 0.00 C ATOM 934 CD PRO A 64 -2.437 18.701 -14.720 1.00 0.00 C ATOM 0 HA PRO A 64 -0.992 16.955 -16.926 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.320 19.409 -16.398 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.193 19.293 -17.274 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.725 19.952 -14.384 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.898 20.629 -15.496 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.658 18.813 -13.659 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.381 18.807 -15.255 1.00 0.00 H new ATOM 942 N TRP A 65 1.291 16.321 -16.447 1.00 0.00 N ATOM 943 CA TRP A 65 2.567 15.681 -16.121 1.00 0.00 C ATOM 944 C TRP A 65 3.632 16.681 -15.657 1.00 0.00 C ATOM 945 O TRP A 65 4.473 16.355 -14.814 1.00 0.00 O ATOM 946 CB TRP A 65 3.089 14.915 -17.344 1.00 0.00 C ATOM 947 CG TRP A 65 3.505 15.805 -18.484 1.00 0.00 C ATOM 948 CD1 TRP A 65 2.687 16.505 -19.329 1.00 0.00 C ATOM 949 CD2 TRP A 65 4.845 16.090 -18.901 1.00 0.00 C ATOM 950 NE1 TRP A 65 3.436 17.206 -20.239 1.00 0.00 N ATOM 951 CE2 TRP A 65 4.764 16.969 -19.997 1.00 0.00 C ATOM 952 CE3 TRP A 65 6.108 15.691 -18.449 1.00 0.00 C ATOM 953 CZ2 TRP A 65 5.893 17.450 -20.649 1.00 0.00 C ATOM 954 CZ3 TRP A 65 7.229 16.170 -19.101 1.00 0.00 C ATOM 955 CH2 TRP A 65 7.115 17.044 -20.188 1.00 0.00 C ATOM 0 H TRP A 65 0.982 16.162 -17.406 1.00 0.00 H new ATOM 0 HA TRP A 65 2.378 14.999 -15.292 1.00 0.00 H new ATOM 0 HB2 TRP A 65 3.940 14.304 -17.043 1.00 0.00 H new ATOM 0 HB3 TRP A 65 2.314 14.232 -17.692 1.00 0.00 H new ATOM 0 HD1 TRP A 65 1.608 16.505 -19.285 1.00 0.00 H new ATOM 0 HE1 TRP A 65 3.065 17.806 -20.976 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.205 15.022 -17.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.808 18.121 -21.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 8.209 15.865 -18.766 1.00 0.00 H new ATOM 0 HH2 TRP A 65 8.010 17.405 -20.673 1.00 0.00 H new ATOM 966 N LEU A 66 3.590 17.893 -16.194 1.00 0.00 N ATOM 967 CA LEU A 66 4.659 18.858 -15.970 1.00 0.00 C ATOM 968 C LEU A 66 4.494 19.577 -14.634 1.00 0.00 C ATOM 969 O LEU A 66 5.324 20.404 -14.258 1.00 0.00 O ATOM 970 CB LEU A 66 4.714 19.865 -17.124 1.00 0.00 C ATOM 971 CG LEU A 66 5.953 20.770 -17.144 1.00 0.00 C ATOM 972 CD1 LEU A 66 7.224 19.939 -17.226 1.00 0.00 C ATOM 973 CD2 LEU A 66 5.886 21.749 -18.304 1.00 0.00 C ATOM 0 H LEU A 66 2.831 18.231 -16.785 1.00 0.00 H new ATOM 0 HA LEU A 66 5.602 18.313 -15.933 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.669 19.317 -18.065 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.825 20.494 -17.078 1.00 0.00 H new ATOM 0 HG LEU A 66 5.971 21.339 -16.214 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.091 20.600 -17.239 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.284 19.279 -16.360 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.210 19.341 -18.137 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.774 22.381 -18.299 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.838 21.198 -19.243 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.997 22.372 -18.203 1.00 0.00 H new ATOM 985 N GLN A 67 3.428 19.258 -13.912 1.00 0.00 N ATOM 986 CA GLN A 67 3.246 19.803 -12.578 1.00 0.00 C ATOM 987 C GLN A 67 4.234 19.144 -11.622 1.00 0.00 C ATOM 988 O GLN A 67 5.274 19.717 -11.296 1.00 0.00 O ATOM 989 CB GLN A 67 1.803 19.604 -12.098 1.00 0.00 C ATOM 990 CG GLN A 67 1.558 20.058 -10.663 1.00 0.00 C ATOM 991 CD GLN A 67 1.918 21.514 -10.429 1.00 0.00 C ATOM 992 OE1 GLN A 67 3.054 21.839 -10.076 1.00 0.00 O ATOM 993 NE2 GLN A 67 0.953 22.399 -10.609 1.00 0.00 N ATOM 0 H GLN A 67 2.686 18.632 -14.225 1.00 0.00 H new ATOM 0 HA GLN A 67 3.438 20.876 -12.603 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.132 20.151 -12.761 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.545 18.548 -12.183 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.508 19.905 -10.414 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.140 19.433 -9.986 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.026 22.090 -10.902 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.135 23.391 -10.455 1.00 0.00 H new ATOM 1002 N THR A 68 3.917 17.927 -11.199 1.00 0.00 N ATOM 1003 CA THR A 68 4.777 17.165 -10.303 1.00 0.00 C ATOM 1004 C THR A 68 4.347 15.704 -10.288 1.00 0.00 C ATOM 1005 O THR A 68 5.120 14.811 -10.630 1.00 0.00 O ATOM 1006 CB THR A 68 4.731 17.694 -8.844 1.00 0.00 C ATOM 1007 OG1 THR A 68 5.047 19.093 -8.791 1.00 0.00 O ATOM 1008 CG2 THR A 68 5.704 16.928 -7.957 1.00 0.00 C ATOM 0 H THR A 68 3.060 17.442 -11.466 1.00 0.00 H new ATOM 0 HA THR A 68 5.794 17.273 -10.680 1.00 0.00 H new ATOM 0 HB THR A 68 3.715 17.544 -8.478 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.507 19.356 -9.616 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.653 17.317 -6.940 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.439 15.871 -7.955 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.717 17.047 -8.341 1.00 0.00 H new ATOM 1016 N GLY A 69 3.092 15.481 -9.923 1.00 0.00 N ATOM 1017 CA GLY A 69 2.624 14.139 -9.665 1.00 0.00 C ATOM 1018 C GLY A 69 2.731 13.830 -8.189 1.00 0.00 C ATOM 1019 O GLY A 69 3.245 14.662 -7.439 1.00 0.00 O ATOM 0 H GLY A 69 2.389 16.210 -9.801 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.589 14.036 -9.993 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.213 13.423 -10.239 1.00 0.00 H new ATOM 1091 N HIS A 74 -7.788 13.889 -4.131 1.00 0.00 N ATOM 1092 CA HIS A 74 -9.135 14.120 -4.644 1.00 0.00 C ATOM 1093 C HIS A 74 -10.185 13.592 -3.667 1.00 0.00 C ATOM 1094 O HIS A 74 -11.385 13.811 -3.838 1.00 0.00 O ATOM 1095 CB HIS A 74 -9.293 13.454 -6.020 1.00 0.00 C ATOM 1096 CG HIS A 74 -10.619 13.701 -6.686 1.00 0.00 C ATOM 1097 ND1 HIS A 74 -11.342 12.710 -7.323 1.00 0.00 N ATOM 1098 CD2 HIS A 74 -11.346 14.837 -6.825 1.00 0.00 C ATOM 1099 CE1 HIS A 74 -12.452 13.227 -7.816 1.00 0.00 C ATOM 1100 NE2 HIS A 74 -12.479 14.512 -7.527 1.00 0.00 N ATOM 0 HA HIS A 74 -9.287 15.194 -4.753 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -8.499 13.812 -6.676 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -9.152 12.379 -5.907 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -11.062 11.732 -7.400 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -11.082 15.816 -6.452 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -13.210 12.687 -8.364 1.00 0.00 H new ATOM 1109 N ALA A 75 -9.724 12.901 -2.640 1.00 0.00 N ATOM 1110 CA ALA A 75 -10.622 12.309 -1.662 1.00 0.00 C ATOM 1111 C ALA A 75 -9.914 12.087 -0.340 1.00 0.00 C ATOM 1112 O ALA A 75 -8.994 11.275 -0.247 1.00 0.00 O ATOM 1113 CB ALA A 75 -11.187 10.999 -2.189 1.00 0.00 C ATOM 0 H ALA A 75 -8.734 12.735 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.446 13.002 -1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.858 10.567 -1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.738 11.185 -3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.371 10.305 -2.388 1.00 0.00 H new ATOM 1119 N ASP A 76 -10.345 12.817 0.679 1.00 0.00 N ATOM 1120 CA ASP A 76 -9.790 12.684 2.015 1.00 0.00 C ATOM 1121 C ASP A 76 -10.263 11.391 2.666 1.00 0.00 C ATOM 1122 O ASP A 76 -9.658 10.903 3.617 1.00 0.00 O ATOM 1123 CB ASP A 76 -10.192 13.879 2.885 1.00 0.00 C ATOM 1124 CG ASP A 76 -9.513 15.173 2.475 1.00 0.00 C ATOM 1125 OD1 ASP A 76 -8.395 15.441 2.958 1.00 0.00 O ATOM 1126 OD2 ASP A 76 -10.104 15.942 1.683 1.00 0.00 O ATOM 0 H ASP A 76 -11.086 13.514 0.602 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.704 12.658 1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.273 14.011 2.833 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.948 13.662 3.925 1.00 0.00 H new ATOM 1131 N ASP A 77 -11.349 10.848 2.135 1.00 0.00 N ATOM 1132 CA ASP A 77 -11.939 9.619 2.658 1.00 0.00 C ATOM 1133 C ASP A 77 -11.155 8.390 2.207 1.00 0.00 C ATOM 1134 O ASP A 77 -11.055 7.401 2.934 1.00 0.00 O ATOM 1135 CB ASP A 77 -13.395 9.504 2.196 1.00 0.00 C ATOM 1136 CG ASP A 77 -14.035 8.180 2.576 1.00 0.00 C ATOM 1137 OD1 ASP A 77 -14.563 8.069 3.702 1.00 0.00 O ATOM 1138 OD2 ASP A 77 -14.030 7.249 1.736 1.00 0.00 O ATOM 0 H ASP A 77 -11.845 11.242 1.335 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.902 9.663 3.746 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.974 10.319 2.631 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.438 9.625 1.114 1.00 0.00 H new ATOM 1143 N CYS A 78 -10.587 8.466 1.012 1.00 0.00 N ATOM 1144 CA CYS A 78 -9.898 7.329 0.420 1.00 0.00 C ATOM 1145 C CYS A 78 -8.526 7.113 1.061 1.00 0.00 C ATOM 1146 O CYS A 78 -7.920 8.053 1.583 1.00 0.00 O ATOM 1147 CB CYS A 78 -9.761 7.529 -1.091 1.00 0.00 C ATOM 1148 SG CYS A 78 -11.340 7.584 -1.971 1.00 0.00 S ATOM 0 H CYS A 78 -10.590 9.305 0.432 1.00 0.00 H new ATOM 0 HA CYS A 78 -10.493 6.435 0.607 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -9.220 8.457 -1.277 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -9.156 6.720 -1.501 1.00 0.00 H new ATOM 0 HG CYS A 78 -11.132 7.887 -3.218 1.00 0.00 H new ATOM 1154 N PRO A 79 -8.016 5.866 1.015 1.00 0.00 N ATOM 1155 CA PRO A 79 -6.742 5.494 1.648 1.00 0.00 C ATOM 1156 C PRO A 79 -5.526 6.175 1.022 1.00 0.00 C ATOM 1157 O PRO A 79 -4.397 5.954 1.455 1.00 0.00 O ATOM 1158 CB PRO A 79 -6.667 3.977 1.440 1.00 0.00 C ATOM 1159 CG PRO A 79 -7.540 3.707 0.268 1.00 0.00 C ATOM 1160 CD PRO A 79 -8.652 4.712 0.352 1.00 0.00 C ATOM 0 HA PRO A 79 -6.719 5.805 2.692 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -5.643 3.654 1.252 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -7.014 3.440 2.323 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -6.987 3.812 -0.665 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -7.929 2.689 0.295 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.033 4.975 -0.635 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.496 4.332 0.928 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.757 7.003 0.011 1.00 0.00 N ATOM 1169 CA VAL A 80 -4.678 7.738 -0.636 1.00 0.00 C ATOM 1170 C VAL A 80 -4.005 8.677 0.360 1.00 0.00 C ATOM 1171 O VAL A 80 -2.782 8.784 0.394 1.00 0.00 O ATOM 1172 CB VAL A 80 -5.193 8.545 -1.848 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -4.058 9.316 -2.513 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -5.871 7.622 -2.846 1.00 0.00 C ATOM 0 H VAL A 80 -6.682 7.182 -0.379 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.951 7.010 -0.995 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.925 9.269 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.448 9.876 -3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.618 10.007 -1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.296 8.617 -2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.229 8.204 -3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.158 6.875 -3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.714 7.124 -2.367 1.00 0.00 H new ATOM 1184 N VAL A 81 -4.812 9.328 1.194 1.00 0.00 N ATOM 1185 CA VAL A 81 -4.293 10.274 2.176 1.00 0.00 C ATOM 1186 C VAL A 81 -3.526 9.556 3.284 1.00 0.00 C ATOM 1187 O VAL A 81 -2.453 10.001 3.692 1.00 0.00 O ATOM 1188 CB VAL A 81 -5.424 11.125 2.797 1.00 0.00 C ATOM 1189 CG1 VAL A 81 -4.870 12.115 3.811 1.00 0.00 C ATOM 1190 CG2 VAL A 81 -6.195 11.853 1.709 1.00 0.00 C ATOM 0 H VAL A 81 -5.826 9.218 1.209 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.610 10.937 1.646 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.105 10.454 3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.687 12.700 4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.363 11.573 4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.162 12.782 3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.988 12.448 2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.518 12.508 1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.632 11.126 1.024 1.00 0.00 H new ATOM 1200 N ILE A 82 -4.062 8.439 3.757 1.00 0.00 N ATOM 1201 CA ILE A 82 -3.419 7.699 4.835 1.00 0.00 C ATOM 1202 C ILE A 82 -2.099 7.093 4.355 1.00 0.00 C ATOM 1203 O ILE A 82 -1.110 7.077 5.082 1.00 0.00 O ATOM 1204 CB ILE A 82 -4.352 6.604 5.424 1.00 0.00 C ATOM 1205 CG1 ILE A 82 -3.850 6.162 6.800 1.00 0.00 C ATOM 1206 CG2 ILE A 82 -4.479 5.399 4.499 1.00 0.00 C ATOM 1207 CD1 ILE A 82 -3.885 7.259 7.844 1.00 0.00 C ATOM 0 H ILE A 82 -4.931 8.028 3.416 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.206 8.405 5.638 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.344 7.044 5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.456 5.324 7.146 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.827 5.797 6.704 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.140 4.660 4.952 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.892 5.717 3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.495 4.957 4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.515 6.870 8.793 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.256 8.089 7.521 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.910 7.608 7.970 1.00 0.00 H new ATOM 1219 N ALA A 83 -2.086 6.637 3.107 1.00 0.00 N ATOM 1220 CA ALA A 83 -0.873 6.115 2.492 1.00 0.00 C ATOM 1221 C ALA A 83 0.121 7.242 2.262 1.00 0.00 C ATOM 1222 O ALA A 83 1.329 7.073 2.436 1.00 0.00 O ATOM 1223 CB ALA A 83 -1.198 5.423 1.176 1.00 0.00 C ATOM 0 H ALA A 83 -2.906 6.619 2.500 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.428 5.383 3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.280 5.039 0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.885 4.597 1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.661 6.136 0.495 1.00 0.00 H new ATOM 1229 N LYS A 84 -0.410 8.401 1.878 1.00 0.00 N ATOM 1230 CA LYS A 84 0.404 9.583 1.629 1.00 0.00 C ATOM 1231 C LYS A 84 1.154 9.975 2.890 1.00 0.00 C ATOM 1232 O LYS A 84 2.321 10.352 2.835 1.00 0.00 O ATOM 1233 CB LYS A 84 -0.473 10.752 1.169 1.00 0.00 C ATOM 1234 CG LYS A 84 0.284 11.824 0.404 1.00 0.00 C ATOM 1235 CD LYS A 84 0.776 11.289 -0.926 1.00 0.00 C ATOM 1236 CE LYS A 84 1.342 12.391 -1.802 1.00 0.00 C ATOM 1237 NZ LYS A 84 2.661 12.876 -1.323 1.00 0.00 N ATOM 0 H LYS A 84 -1.409 8.544 1.732 1.00 0.00 H new ATOM 0 HA LYS A 84 1.120 9.347 0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.274 10.366 0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.944 11.206 2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.364 12.685 0.238 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.130 12.172 0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.542 10.533 -0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.046 10.797 -1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.442 12.024 -2.823 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.640 13.225 -1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.617 13.903 -1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.903 12.400 -0.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.388 12.665 -2.036 1.00 0.00 H new ATOM 1251 N GLN A 85 0.472 9.881 4.025 1.00 0.00 N ATOM 1252 CA GLN A 85 1.071 10.169 5.318 1.00 0.00 C ATOM 1253 C GLN A 85 2.309 9.307 5.555 1.00 0.00 C ATOM 1254 O GLN A 85 3.305 9.768 6.112 1.00 0.00 O ATOM 1255 CB GLN A 85 0.050 9.921 6.427 1.00 0.00 C ATOM 1256 CG GLN A 85 -1.092 10.924 6.459 1.00 0.00 C ATOM 1257 CD GLN A 85 -2.090 10.637 7.567 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -3.276 10.934 7.440 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -1.618 10.063 8.664 1.00 0.00 N ATOM 0 H GLN A 85 -0.508 9.604 4.073 1.00 0.00 H new ATOM 0 HA GLN A 85 1.376 11.215 5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.364 8.920 6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.563 9.941 7.389 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -0.686 11.927 6.591 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.608 10.913 5.499 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -0.627 9.831 8.732 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.246 9.853 9.440 1.00 0.00 H new ATOM 1268 N ILE A 86 2.240 8.058 5.118 1.00 0.00 N ATOM 1269 CA ILE A 86 3.324 7.111 5.333 1.00 0.00 C ATOM 1270 C ILE A 86 4.491 7.385 4.393 1.00 0.00 C ATOM 1271 O ILE A 86 5.642 7.499 4.828 1.00 0.00 O ATOM 1272 CB ILE A 86 2.851 5.653 5.134 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.544 5.390 5.893 1.00 0.00 C ATOM 1274 CG2 ILE A 86 3.929 4.675 5.582 1.00 0.00 C ATOM 1275 CD1 ILE A 86 1.623 5.653 7.383 1.00 0.00 C ATOM 0 H ILE A 86 1.442 7.676 4.611 1.00 0.00 H new ATOM 0 HA ILE A 86 3.653 7.241 6.364 1.00 0.00 H new ATOM 0 HB ILE A 86 2.663 5.503 4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.759 6.014 5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.248 4.353 5.734 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.578 3.654 5.434 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.833 4.836 4.995 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.149 4.834 6.638 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.657 5.442 7.841 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.383 5.010 7.826 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.886 6.697 7.555 1.00 0.00 H new ATOM 1287 N LEU A 87 4.192 7.496 3.104 1.00 0.00 N ATOM 1288 CA LEU A 87 5.226 7.683 2.095 1.00 0.00 C ATOM 1289 C LEU A 87 5.856 9.071 2.199 1.00 0.00 C ATOM 1290 O LEU A 87 7.004 9.274 1.803 1.00 0.00 O ATOM 1291 CB LEU A 87 4.661 7.417 0.691 1.00 0.00 C ATOM 1292 CG LEU A 87 3.465 8.273 0.272 1.00 0.00 C ATOM 1293 CD1 LEU A 87 3.925 9.536 -0.430 1.00 0.00 C ATOM 1294 CD2 LEU A 87 2.526 7.477 -0.617 1.00 0.00 C ATOM 0 H LEU A 87 3.242 7.460 2.734 1.00 0.00 H new ATOM 0 HA LEU A 87 6.020 6.959 2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.461 7.567 -0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.369 6.368 0.632 1.00 0.00 H new ATOM 0 HG LEU A 87 2.923 8.565 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.057 10.129 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.554 10.118 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.495 9.270 -1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.681 8.102 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.059 7.152 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.163 6.604 -0.074 1.00 0.00 H new ATOM 1306 N SER A 88 5.111 10.013 2.756 1.00 0.00 N ATOM 1307 CA SER A 88 5.627 11.336 3.013 1.00 0.00 C ATOM 1308 C SER A 88 5.946 11.457 4.498 1.00 0.00 C ATOM 1309 O SER A 88 5.243 12.133 5.252 1.00 0.00 O ATOM 1310 CB SER A 88 4.612 12.396 2.584 1.00 0.00 C ATOM 1311 OG SER A 88 4.303 12.292 1.199 1.00 0.00 O ATOM 0 H SER A 88 4.140 9.878 3.038 1.00 0.00 H new ATOM 0 HA SER A 88 6.537 11.497 2.435 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.700 12.286 3.171 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.010 13.389 2.796 1.00 0.00 H new ATOM 0 HG SER A 88 4.230 13.189 0.812 1.00 0.00 H new ATOM 1317 N SER A 89 6.997 10.763 4.910 1.00 0.00 N ATOM 1318 CA SER A 89 7.346 10.645 6.316 1.00 0.00 C ATOM 1319 C SER A 89 7.839 11.975 6.887 1.00 0.00 C ATOM 1320 O SER A 89 7.563 12.299 8.042 1.00 0.00 O ATOM 1321 CB SER A 89 8.430 9.577 6.482 1.00 0.00 C ATOM 1322 OG SER A 89 8.096 8.386 5.777 1.00 0.00 O ATOM 0 H SER A 89 7.629 10.268 4.281 1.00 0.00 H new ATOM 0 HA SER A 89 6.450 10.358 6.866 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.382 9.963 6.118 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.562 9.351 7.540 1.00 0.00 H new ATOM 0 HG SER A 89 7.130 8.361 5.617 1.00 0.00 H new ATOM 1328 N ARG A 90 8.548 12.740 6.058 1.00 0.00 N ATOM 1329 CA ARG A 90 9.224 13.966 6.499 1.00 0.00 C ATOM 1330 C ARG A 90 10.136 13.676 7.694 1.00 0.00 C ATOM 1331 O ARG A 90 9.759 13.905 8.846 1.00 0.00 O ATOM 1332 CB ARG A 90 8.229 15.074 6.868 1.00 0.00 C ATOM 1333 CG ARG A 90 7.275 15.468 5.751 1.00 0.00 C ATOM 1334 CD ARG A 90 6.525 16.743 6.108 1.00 0.00 C ATOM 1335 NE ARG A 90 5.435 17.036 5.180 1.00 0.00 N ATOM 1336 CZ ARG A 90 5.123 18.265 4.763 1.00 0.00 C ATOM 1337 NH1 ARG A 90 5.869 19.304 5.114 1.00 0.00 N ATOM 1338 NH2 ARG A 90 4.069 18.453 3.978 1.00 0.00 N ATOM 0 H ARG A 90 8.672 12.532 5.067 1.00 0.00 H new ATOM 0 HA ARG A 90 9.822 14.319 5.659 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.645 14.747 7.728 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.788 15.957 7.179 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.832 15.615 4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.565 14.661 5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.123 16.652 7.117 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.223 17.580 6.117 1.00 0.00 H new ATOM 0 HE ARG A 90 4.880 16.255 4.830 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.688 19.167 5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.624 20.240 4.791 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.497 17.658 3.693 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.831 19.392 3.660 1.00 0.00 H new ATOM 1710 N TYR B 18 2.100 8.349 13.257 1.00 0.00 N ATOM 1711 CA TYR B 18 3.345 7.619 12.977 1.00 0.00 C ATOM 1712 C TYR B 18 3.424 6.258 13.695 1.00 0.00 C ATOM 1713 O TYR B 18 2.932 6.081 14.809 1.00 0.00 O ATOM 1714 CB TYR B 18 4.535 8.509 13.354 1.00 0.00 C ATOM 1715 CG TYR B 18 5.899 7.933 13.033 1.00 0.00 C ATOM 1716 CD1 TYR B 18 6.409 7.986 11.743 1.00 0.00 C ATOM 1717 CD2 TYR B 18 6.682 7.354 14.023 1.00 0.00 C ATOM 1718 CE1 TYR B 18 7.659 7.478 11.447 1.00 0.00 C ATOM 1719 CE2 TYR B 18 7.933 6.842 13.736 1.00 0.00 C ATOM 1720 CZ TYR B 18 8.418 6.907 12.446 1.00 0.00 C ATOM 1721 OH TYR B 18 9.667 6.406 12.157 1.00 0.00 O ATOM 0 HA TYR B 18 3.368 7.390 11.912 1.00 0.00 H new ATOM 0 HB2 TYR B 18 4.431 9.464 12.839 1.00 0.00 H new ATOM 0 HB3 TYR B 18 4.488 8.717 14.423 1.00 0.00 H new ATOM 0 HD1 TYR B 18 5.818 8.432 10.957 1.00 0.00 H new ATOM 0 HD2 TYR B 18 6.307 7.303 15.034 1.00 0.00 H new ATOM 0 HE1 TYR B 18 8.040 7.528 10.438 1.00 0.00 H new ATOM 0 HE2 TYR B 18 8.528 6.393 14.518 1.00 0.00 H new ATOM 0 HH TYR B 18 10.069 6.040 12.972 1.00 0.00 H new ATOM 1731 N PHE B 19 4.045 5.292 13.026 1.00 0.00 N ATOM 1732 CA PHE B 19 4.226 3.959 13.589 1.00 0.00 C ATOM 1733 C PHE B 19 5.283 3.953 14.693 1.00 0.00 C ATOM 1734 O PHE B 19 6.460 3.682 14.445 1.00 0.00 O ATOM 1735 CB PHE B 19 4.624 2.957 12.503 1.00 0.00 C ATOM 1736 CG PHE B 19 3.625 2.821 11.391 1.00 0.00 C ATOM 1737 CD1 PHE B 19 2.344 2.363 11.643 1.00 0.00 C ATOM 1738 CD2 PHE B 19 3.974 3.143 10.091 1.00 0.00 C ATOM 1739 CE1 PHE B 19 1.427 2.226 10.618 1.00 0.00 C ATOM 1740 CE2 PHE B 19 3.065 3.010 9.063 1.00 0.00 C ATOM 1741 CZ PHE B 19 1.789 2.553 9.325 1.00 0.00 C ATOM 0 H PHE B 19 4.433 5.408 12.090 1.00 0.00 H new ATOM 0 HA PHE B 19 3.270 3.664 14.021 1.00 0.00 H new ATOM 0 HB2 PHE B 19 5.582 3.259 12.080 1.00 0.00 H new ATOM 0 HB3 PHE B 19 4.773 1.980 12.963 1.00 0.00 H new ATOM 0 HD1 PHE B 19 2.057 2.109 12.653 1.00 0.00 H new ATOM 0 HD2 PHE B 19 4.970 3.503 9.879 1.00 0.00 H new ATOM 0 HE1 PHE B 19 0.431 1.865 10.827 1.00 0.00 H new ATOM 0 HE2 PHE B 19 3.351 3.263 8.053 1.00 0.00 H new ATOM 0 HZ PHE B 19 1.075 2.451 8.521 1.00 0.00 H new ATOM 1751 N GLN B 20 4.859 4.289 15.903 1.00 0.00 N ATOM 1752 CA GLN B 20 5.715 4.185 17.079 1.00 0.00 C ATOM 1753 C GLN B 20 4.836 3.992 18.309 1.00 0.00 C ATOM 1754 O GLN B 20 4.905 2.965 18.985 1.00 0.00 O ATOM 1755 CB GLN B 20 6.586 5.438 17.229 1.00 0.00 C ATOM 1756 CG GLN B 20 8.005 5.149 17.707 1.00 0.00 C ATOM 1757 CD GLN B 20 8.053 4.432 19.043 1.00 0.00 C ATOM 1758 OE1 GLN B 20 8.085 5.062 20.099 1.00 0.00 O ATOM 1759 NE2 GLN B 20 8.063 3.108 19.006 1.00 0.00 N ATOM 0 H GLN B 20 3.921 4.638 16.098 1.00 0.00 H new ATOM 0 HA GLN B 20 6.383 3.331 16.969 1.00 0.00 H new ATOM 0 HB2 GLN B 20 6.634 5.953 16.269 1.00 0.00 H new ATOM 0 HB3 GLN B 20 6.108 6.119 17.933 1.00 0.00 H new ATOM 0 HG2 GLN B 20 8.517 4.544 16.959 1.00 0.00 H new ATOM 0 HG3 GLN B 20 8.553 6.088 17.786 1.00 0.00 H new ATOM 0 HE21 GLN B 20 8.035 2.623 18.109 1.00 0.00 H new ATOM 0 HE22 GLN B 20 8.098 2.574 19.874 1.00 0.00 H new ATOM 1768 N GLY B 21 3.998 4.983 18.580 1.00 0.00 N ATOM 1769 CA GLY B 21 2.971 4.840 19.592 1.00 0.00 C ATOM 1770 C GLY B 21 1.645 4.499 18.946 1.00 0.00 C ATOM 1771 O GLY B 21 0.577 4.866 19.438 1.00 0.00 O ATOM 0 H GLY B 21 4.012 5.890 18.113 1.00 0.00 H new ATOM 0 HA2 GLY B 21 3.252 4.058 20.298 1.00 0.00 H new ATOM 0 HA3 GLY B 21 2.879 5.765 20.161 1.00 0.00 H new ATOM 1775 N MET B 22 1.741 3.785 17.832 1.00 0.00 N ATOM 1776 CA MET B 22 0.598 3.458 16.991 1.00 0.00 C ATOM 1777 C MET B 22 -0.229 2.364 17.625 1.00 0.00 C ATOM 1778 O MET B 22 -1.430 2.536 17.839 1.00 0.00 O ATOM 1779 CB MET B 22 1.110 3.029 15.615 1.00 0.00 C ATOM 1780 CG MET B 22 0.038 2.853 14.563 1.00 0.00 C ATOM 1781 SD MET B 22 -0.773 4.397 14.127 1.00 0.00 S ATOM 1782 CE MET B 22 -1.366 3.973 12.495 1.00 0.00 C ATOM 0 H MET B 22 2.624 3.413 17.484 1.00 0.00 H new ATOM 0 HA MET B 22 -0.044 4.332 16.882 1.00 0.00 H new ATOM 0 HB2 MET B 22 1.826 3.771 15.262 1.00 0.00 H new ATOM 0 HB3 MET B 22 1.652 2.089 15.722 1.00 0.00 H new ATOM 0 HG2 MET B 22 0.482 2.416 13.668 1.00 0.00 H new ATOM 0 HG3 MET B 22 -0.708 2.146 14.926 1.00 0.00 H new ATOM 0 HE1 MET B 22 -1.974 4.790 12.105 1.00 0.00 H new ATOM 0 HE2 MET B 22 -0.517 3.804 11.832 1.00 0.00 H new ATOM 0 HE3 MET B 22 -1.969 3.067 12.551 1.00 0.00 H new ATOM 1792 N THR B 23 0.413 1.242 17.908 1.00 0.00 N ATOM 1793 CA THR B 23 -0.201 0.201 18.707 1.00 0.00 C ATOM 1794 C THR B 23 -1.354 -0.523 17.981 1.00 0.00 C ATOM 1795 O THR B 23 -1.180 -1.649 17.517 1.00 0.00 O ATOM 1796 CB THR B 23 -0.675 0.807 20.044 1.00 0.00 C ATOM 1797 OG1 THR B 23 0.459 1.126 20.861 1.00 0.00 O ATOM 1798 CG2 THR B 23 -1.602 -0.120 20.791 1.00 0.00 C ATOM 0 H THR B 23 1.360 1.031 17.594 1.00 0.00 H new ATOM 0 HA THR B 23 0.552 -0.565 18.892 1.00 0.00 H new ATOM 0 HB THR B 23 -1.234 1.714 19.815 1.00 0.00 H new ATOM 0 HG1 THR B 23 0.153 1.512 21.708 1.00 0.00 H new ATOM 0 HG21 THR B 23 -1.910 0.349 21.726 1.00 0.00 H new ATOM 0 HG22 THR B 23 -2.482 -0.324 20.181 1.00 0.00 H new ATOM 0 HG23 THR B 23 -1.085 -1.055 21.007 1.00 0.00 H new ATOM 1806 N ASP B 24 -2.505 0.131 17.855 1.00 0.00 N ATOM 1807 CA ASP B 24 -3.722 -0.544 17.408 1.00 0.00 C ATOM 1808 C ASP B 24 -4.119 -0.128 15.994 1.00 0.00 C ATOM 1809 O ASP B 24 -4.429 -0.975 15.154 1.00 0.00 O ATOM 1810 CB ASP B 24 -4.867 -0.227 18.377 1.00 0.00 C ATOM 1811 CG ASP B 24 -6.132 -1.010 18.083 1.00 0.00 C ATOM 1812 OD1 ASP B 24 -6.888 -0.621 17.168 1.00 0.00 O ATOM 1813 OD2 ASP B 24 -6.394 -2.005 18.789 1.00 0.00 O ATOM 0 H ASP B 24 -2.622 1.124 18.055 1.00 0.00 H new ATOM 0 HA ASP B 24 -3.523 -1.616 17.395 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -4.543 -0.442 19.395 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -5.088 0.839 18.331 1.00 0.00 H new ATOM 1818 N THR B 25 -4.099 1.177 15.741 1.00 0.00 N ATOM 1819 CA THR B 25 -4.597 1.740 14.487 1.00 0.00 C ATOM 1820 C THR B 25 -3.922 1.122 13.261 1.00 0.00 C ATOM 1821 O THR B 25 -4.556 0.973 12.217 1.00 0.00 O ATOM 1822 CB THR B 25 -4.392 3.268 14.463 1.00 0.00 C ATOM 1823 OG1 THR B 25 -4.862 3.835 15.692 1.00 0.00 O ATOM 1824 CG2 THR B 25 -5.134 3.906 13.296 1.00 0.00 C ATOM 0 H THR B 25 -3.739 1.872 16.395 1.00 0.00 H new ATOM 0 HA THR B 25 -5.660 1.505 14.440 1.00 0.00 H new ATOM 0 HB THR B 25 -3.327 3.466 14.343 1.00 0.00 H new ATOM 0 HG1 THR B 25 -4.730 4.806 15.676 1.00 0.00 H new ATOM 0 HG21 THR B 25 -4.970 4.984 13.306 1.00 0.00 H new ATOM 0 HG22 THR B 25 -4.763 3.491 12.359 1.00 0.00 H new ATOM 0 HG23 THR B 25 -6.201 3.700 13.387 1.00 0.00 H new ATOM 1832 N ALA B 26 -2.658 0.724 13.416 1.00 0.00 N ATOM 1833 CA ALA B 26 -1.840 0.227 12.304 1.00 0.00 C ATOM 1834 C ALA B 26 -2.487 -0.953 11.581 1.00 0.00 C ATOM 1835 O ALA B 26 -2.254 -1.170 10.394 1.00 0.00 O ATOM 1836 CB ALA B 26 -0.461 -0.168 12.808 1.00 0.00 C ATOM 0 H ALA B 26 -2.172 0.736 14.313 1.00 0.00 H new ATOM 0 HA ALA B 26 -1.753 1.039 11.582 1.00 0.00 H new ATOM 0 HB1 ALA B 26 0.139 -0.536 11.976 1.00 0.00 H new ATOM 0 HB2 ALA B 26 0.027 0.700 13.251 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -0.559 -0.952 13.559 1.00 0.00 H new ATOM 1842 N ALA B 27 -3.294 -1.721 12.293 1.00 0.00 N ATOM 1843 CA ALA B 27 -3.944 -2.876 11.698 1.00 0.00 C ATOM 1844 C ALA B 27 -5.098 -2.450 10.801 1.00 0.00 C ATOM 1845 O ALA B 27 -5.444 -3.143 9.842 1.00 0.00 O ATOM 1846 CB ALA B 27 -4.427 -3.828 12.780 1.00 0.00 C ATOM 0 H ALA B 27 -3.514 -1.567 13.277 1.00 0.00 H new ATOM 0 HA ALA B 27 -3.214 -3.397 11.079 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -4.912 -4.688 12.318 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -3.577 -4.166 13.373 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -5.139 -3.314 13.426 1.00 0.00 H new ATOM 1852 N GLU B 28 -5.692 -1.313 11.121 1.00 0.00 N ATOM 1853 CA GLU B 28 -6.867 -0.832 10.413 1.00 0.00 C ATOM 1854 C GLU B 28 -6.466 -0.019 9.178 1.00 0.00 C ATOM 1855 O GLU B 28 -6.931 -0.282 8.066 1.00 0.00 O ATOM 1856 CB GLU B 28 -7.729 0.000 11.373 1.00 0.00 C ATOM 1857 CG GLU B 28 -9.197 0.102 10.985 1.00 0.00 C ATOM 1858 CD GLU B 28 -9.455 1.117 9.895 1.00 0.00 C ATOM 1859 OE1 GLU B 28 -9.434 2.327 10.193 1.00 0.00 O ATOM 1860 OE2 GLU B 28 -9.684 0.715 8.738 1.00 0.00 O ATOM 0 H GLU B 28 -5.377 -0.701 11.873 1.00 0.00 H new ATOM 0 HA GLU B 28 -7.450 -1.683 10.062 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -7.660 -0.435 12.370 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -7.313 1.006 11.434 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -9.547 -0.875 10.653 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -9.781 0.368 11.866 1.00 0.00 H new ATOM 1867 N ASP B 29 -5.557 0.930 9.361 1.00 0.00 N ATOM 1868 CA ASP B 29 -5.253 1.903 8.309 1.00 0.00 C ATOM 1869 C ASP B 29 -4.380 1.291 7.218 1.00 0.00 C ATOM 1870 O ASP B 29 -4.608 1.524 6.029 1.00 0.00 O ATOM 1871 CB ASP B 29 -4.591 3.162 8.892 1.00 0.00 C ATOM 1872 CG ASP B 29 -3.181 2.929 9.404 1.00 0.00 C ATOM 1873 OD1 ASP B 29 -2.970 1.941 10.132 1.00 0.00 O ATOM 1874 OD2 ASP B 29 -2.288 3.739 9.080 1.00 0.00 O ATOM 0 H ASP B 29 -5.019 1.050 10.219 1.00 0.00 H new ATOM 0 HA ASP B 29 -6.199 2.196 7.854 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -4.566 3.937 8.126 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -5.206 3.541 9.708 1.00 0.00 H new ATOM 1879 N VAL B 30 -3.400 0.490 7.620 1.00 0.00 N ATOM 1880 CA VAL B 30 -2.542 -0.201 6.669 1.00 0.00 C ATOM 1881 C VAL B 30 -3.344 -1.232 5.871 1.00 0.00 C ATOM 1882 O VAL B 30 -3.053 -1.499 4.705 1.00 0.00 O ATOM 1883 CB VAL B 30 -1.348 -0.884 7.377 1.00 0.00 C ATOM 1884 CG1 VAL B 30 -0.499 -1.673 6.389 1.00 0.00 C ATOM 1885 CG2 VAL B 30 -0.497 0.153 8.095 1.00 0.00 C ATOM 0 H VAL B 30 -3.181 0.304 8.599 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.144 0.545 5.982 1.00 0.00 H new ATOM 0 HB VAL B 30 -1.747 -1.584 8.111 1.00 0.00 H new ATOM 0 HG11 VAL B 30 0.332 -2.141 6.916 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -1.110 -2.443 5.918 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -0.111 -1.000 5.625 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.339 -0.342 8.589 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.117 0.875 7.372 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -1.104 0.670 8.839 1.00 0.00 H new ATOM 1895 N ARG B 31 -4.378 -1.792 6.489 1.00 0.00 N ATOM 1896 CA ARG B 31 -5.218 -2.761 5.804 1.00 0.00 C ATOM 1897 C ARG B 31 -6.046 -2.079 4.716 1.00 0.00 C ATOM 1898 O ARG B 31 -6.358 -2.688 3.691 1.00 0.00 O ATOM 1899 CB ARG B 31 -6.135 -3.500 6.782 1.00 0.00 C ATOM 1900 CG ARG B 31 -6.893 -4.639 6.124 1.00 0.00 C ATOM 1901 CD ARG B 31 -7.697 -5.451 7.122 1.00 0.00 C ATOM 1902 NE ARG B 31 -8.332 -6.602 6.478 1.00 0.00 N ATOM 1903 CZ ARG B 31 -8.967 -7.577 7.124 1.00 0.00 C ATOM 1904 NH1 ARG B 31 -9.059 -7.551 8.449 1.00 0.00 N ATOM 1905 NH2 ARG B 31 -9.517 -8.577 6.444 1.00 0.00 N ATOM 0 H ARG B 31 -4.651 -1.593 7.452 1.00 0.00 H new ATOM 0 HA ARG B 31 -4.561 -3.496 5.340 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -5.540 -3.893 7.606 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -6.847 -2.795 7.211 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -7.563 -4.235 5.365 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -6.188 -5.293 5.612 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -7.045 -5.794 7.925 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -8.459 -4.820 7.578 1.00 0.00 H new ATOM 0 HE ARG B 31 -8.284 -6.661 5.461 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -8.642 -6.782 8.974 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -9.546 -8.300 8.941 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -9.453 -8.598 5.426 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -10.004 -9.324 6.940 1.00 0.00 H new ATOM 1919 N LYS B 32 -6.388 -0.810 4.935 1.00 0.00 N ATOM 1920 CA LYS B 32 -7.153 -0.046 3.955 1.00 0.00 C ATOM 1921 C LYS B 32 -6.453 -0.023 2.600 1.00 0.00 C ATOM 1922 O LYS B 32 -7.062 -0.329 1.574 1.00 0.00 O ATOM 1923 CB LYS B 32 -7.387 1.391 4.430 1.00 0.00 C ATOM 1924 CG LYS B 32 -8.595 1.564 5.344 1.00 0.00 C ATOM 1925 CD LYS B 32 -9.035 3.023 5.388 1.00 0.00 C ATOM 1926 CE LYS B 32 -10.342 3.213 6.146 1.00 0.00 C ATOM 1927 NZ LYS B 32 -10.166 3.076 7.612 1.00 0.00 N ATOM 0 H LYS B 32 -6.148 -0.292 5.780 1.00 0.00 H new ATOM 0 HA LYS B 32 -8.116 -0.545 3.847 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -6.497 1.736 4.956 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -7.512 2.033 3.558 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -9.417 0.942 4.990 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -8.348 1.223 6.349 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -8.255 3.621 5.859 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -9.151 3.395 4.370 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -10.750 4.199 5.922 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -11.071 2.480 5.799 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -10.885 3.645 8.103 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -10.271 2.077 7.882 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -9.218 3.410 7.881 1.00 0.00 H new ATOM 1941 N ILE B 33 -5.169 0.324 2.596 1.00 0.00 N ATOM 1942 CA ILE B 33 -4.419 0.430 1.348 1.00 0.00 C ATOM 1943 C ILE B 33 -4.167 -0.944 0.735 1.00 0.00 C ATOM 1944 O ILE B 33 -4.155 -1.094 -0.485 1.00 0.00 O ATOM 1945 CB ILE B 33 -3.074 1.172 1.536 1.00 0.00 C ATOM 1946 CG1 ILE B 33 -2.178 0.456 2.549 1.00 0.00 C ATOM 1947 CG2 ILE B 33 -3.327 2.603 1.977 1.00 0.00 C ATOM 1948 CD1 ILE B 33 -0.818 1.102 2.733 1.00 0.00 C ATOM 0 H ILE B 33 -4.630 0.535 3.436 1.00 0.00 H new ATOM 0 HA ILE B 33 -5.036 1.016 0.667 1.00 0.00 H new ATOM 0 HB ILE B 33 -2.555 1.178 0.578 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -2.688 0.425 3.512 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -2.038 -0.577 2.229 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -2.375 3.117 2.107 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -3.917 3.118 1.219 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -3.871 2.602 2.922 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -0.243 0.536 3.466 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -0.287 1.108 1.781 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -0.946 2.126 3.084 1.00 0.00 H new ATOM 1960 N ALA B 34 -3.993 -1.944 1.588 1.00 0.00 N ATOM 1961 CA ALA B 34 -3.748 -3.305 1.132 1.00 0.00 C ATOM 1962 C ALA B 34 -4.991 -3.903 0.479 1.00 0.00 C ATOM 1963 O ALA B 34 -4.894 -4.702 -0.452 1.00 0.00 O ATOM 1964 CB ALA B 34 -3.288 -4.168 2.293 1.00 0.00 C ATOM 0 H ALA B 34 -4.017 -1.838 2.602 1.00 0.00 H new ATOM 0 HA ALA B 34 -2.961 -3.275 0.379 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -3.107 -5.184 1.942 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -2.367 -3.758 2.708 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -4.059 -4.182 3.064 1.00 0.00 H new ATOM 1970 N THR B 35 -6.159 -3.504 0.964 1.00 0.00 N ATOM 1971 CA THR B 35 -7.417 -4.014 0.440 1.00 0.00 C ATOM 1972 C THR B 35 -7.713 -3.432 -0.942 1.00 0.00 C ATOM 1973 O THR B 35 -8.344 -4.080 -1.777 1.00 0.00 O ATOM 1974 CB THR B 35 -8.586 -3.721 1.405 1.00 0.00 C ATOM 1975 OG1 THR B 35 -8.289 -4.264 2.697 1.00 0.00 O ATOM 1976 CG2 THR B 35 -9.889 -4.322 0.899 1.00 0.00 C ATOM 0 H THR B 35 -6.261 -2.828 1.721 1.00 0.00 H new ATOM 0 HA THR B 35 -7.316 -5.095 0.345 1.00 0.00 H new ATOM 0 HB THR B 35 -8.707 -2.640 1.468 1.00 0.00 H new ATOM 0 HG1 THR B 35 -7.704 -3.647 3.184 1.00 0.00 H new ATOM 0 HG21 THR B 35 -10.691 -4.097 1.602 1.00 0.00 H new ATOM 0 HG22 THR B 35 -10.131 -3.898 -0.075 1.00 0.00 H new ATOM 0 HG23 THR B 35 -9.780 -5.403 0.807 1.00 0.00 H new ATOM 1984 N ALA B 36 -7.239 -2.216 -1.187 1.00 0.00 N ATOM 1985 CA ALA B 36 -7.415 -1.583 -2.488 1.00 0.00 C ATOM 1986 C ALA B 36 -6.753 -2.413 -3.586 1.00 0.00 C ATOM 1987 O ALA B 36 -7.175 -2.390 -4.745 1.00 0.00 O ATOM 1988 CB ALA B 36 -6.847 -0.173 -2.470 1.00 0.00 C ATOM 0 H ALA B 36 -6.732 -1.651 -0.505 1.00 0.00 H new ATOM 0 HA ALA B 36 -8.482 -1.525 -2.701 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -6.985 0.288 -3.448 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -7.364 0.418 -1.714 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -5.783 -0.212 -2.235 1.00 0.00 H new ATOM 1994 N LEU B 37 -5.728 -3.166 -3.199 1.00 0.00 N ATOM 1995 CA LEU B 37 -5.000 -4.025 -4.120 1.00 0.00 C ATOM 1996 C LEU B 37 -5.855 -5.226 -4.517 1.00 0.00 C ATOM 1997 O LEU B 37 -5.671 -5.816 -5.582 1.00 0.00 O ATOM 1998 CB LEU B 37 -3.708 -4.512 -3.462 1.00 0.00 C ATOM 1999 CG LEU B 37 -2.917 -3.438 -2.712 1.00 0.00 C ATOM 2000 CD1 LEU B 37 -1.680 -4.039 -2.060 1.00 0.00 C ATOM 2001 CD2 LEU B 37 -2.528 -2.303 -3.645 1.00 0.00 C ATOM 0 H LEU B 37 -5.381 -3.196 -2.240 1.00 0.00 H new ATOM 0 HA LEU B 37 -4.760 -3.452 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -3.953 -5.314 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -3.067 -4.943 -4.231 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.557 -3.032 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -1.132 -3.259 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -1.981 -4.813 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -1.041 -4.476 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -1.967 -1.552 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.910 -2.693 -4.454 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.428 -1.850 -4.061 1.00 0.00 H new ATOM 2013 N LEU B 38 -6.779 -5.592 -3.638 1.00 0.00 N ATOM 2014 CA LEU B 38 -7.684 -6.706 -3.882 1.00 0.00 C ATOM 2015 C LEU B 38 -8.830 -6.280 -4.791 1.00 0.00 C ATOM 2016 O LEU B 38 -9.327 -7.068 -5.593 1.00 0.00 O ATOM 2017 CB LEU B 38 -8.245 -7.231 -2.557 1.00 0.00 C ATOM 2018 CG LEU B 38 -7.201 -7.741 -1.561 1.00 0.00 C ATOM 2019 CD1 LEU B 38 -7.855 -8.077 -0.231 1.00 0.00 C ATOM 2020 CD2 LEU B 38 -6.483 -8.957 -2.119 1.00 0.00 C ATOM 0 H LEU B 38 -6.921 -5.128 -2.741 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.122 -7.500 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -8.817 -6.434 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.943 -8.040 -2.772 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.468 -6.951 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -7.098 -8.438 0.466 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -8.328 -7.184 0.178 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.609 -8.850 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -5.744 -9.306 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -7.206 -9.750 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -5.983 -8.689 -3.050 1.00 0.00 H new ATOM 2032 N LYS B 39 -9.240 -5.025 -4.657 1.00 0.00 N ATOM 2033 CA LYS B 39 -10.384 -4.509 -5.374 1.00 0.00 C ATOM 2034 C LYS B 39 -10.071 -4.247 -6.845 1.00 0.00 C ATOM 2035 O LYS B 39 -10.860 -4.599 -7.725 1.00 0.00 O ATOM 2036 CB LYS B 39 -10.853 -3.231 -4.690 1.00 0.00 C ATOM 2037 CG LYS B 39 -11.913 -2.475 -5.458 1.00 0.00 C ATOM 2038 CD LYS B 39 -12.358 -1.247 -4.697 1.00 0.00 C ATOM 2039 CE LYS B 39 -13.325 -1.592 -3.575 1.00 0.00 C ATOM 2040 NZ LYS B 39 -14.582 -2.201 -4.089 1.00 0.00 N ATOM 0 H LYS B 39 -8.786 -4.343 -4.049 1.00 0.00 H new ATOM 0 HA LYS B 39 -11.175 -5.259 -5.353 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -11.243 -3.481 -3.703 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -9.994 -2.577 -4.537 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -11.522 -2.182 -6.432 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -12.769 -3.125 -5.640 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -11.486 -0.742 -4.282 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -12.834 -0.547 -5.384 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -12.845 -2.283 -2.882 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -13.563 -0.690 -3.012 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -15.343 -2.066 -3.393 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -14.848 -1.745 -4.985 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -14.435 -3.218 -4.249 1.00 0.00 H new ATOM 2054 N THR B 40 -8.937 -3.617 -7.116 1.00 0.00 N ATOM 2055 CA THR B 40 -8.579 -3.266 -8.482 1.00 0.00 C ATOM 2056 C THR B 40 -7.064 -3.164 -8.629 1.00 0.00 C ATOM 2057 O THR B 40 -6.450 -3.982 -9.312 1.00 0.00 O ATOM 2058 CB THR B 40 -9.232 -1.930 -8.910 1.00 0.00 C ATOM 2059 OG1 THR B 40 -10.648 -1.974 -8.666 1.00 0.00 O ATOM 2060 CG2 THR B 40 -8.982 -1.644 -10.384 1.00 0.00 C ATOM 0 H THR B 40 -8.253 -3.340 -6.412 1.00 0.00 H new ATOM 0 HA THR B 40 -8.952 -4.057 -9.132 1.00 0.00 H new ATOM 0 HB THR B 40 -8.781 -1.132 -8.320 1.00 0.00 H new ATOM 0 HG1 THR B 40 -11.053 -1.124 -8.938 1.00 0.00 H new ATOM 0 HG21 THR B 40 -9.452 -0.699 -10.656 1.00 0.00 H new ATOM 0 HG22 THR B 40 -7.909 -1.581 -10.565 1.00 0.00 H new ATOM 0 HG23 THR B 40 -9.405 -2.447 -10.987 1.00 0.00 H new ATOM 2068 N ALA B 41 -6.482 -2.162 -7.963 1.00 0.00 N ATOM 2069 CA ALA B 41 -5.040 -1.910 -7.976 1.00 0.00 C ATOM 2070 C ALA B 41 -4.555 -1.428 -9.344 1.00 0.00 C ATOM 2071 O ALA B 41 -4.161 -0.275 -9.496 1.00 0.00 O ATOM 2072 CB ALA B 41 -4.260 -3.142 -7.531 1.00 0.00 C ATOM 0 H ALA B 41 -7.005 -1.497 -7.394 1.00 0.00 H new ATOM 0 HA ALA B 41 -4.852 -1.109 -7.261 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -3.192 -2.924 -7.551 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -4.556 -3.413 -6.518 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.473 -3.971 -8.206 1.00 0.00 H new ATOM 2078 N ILE B 42 -4.604 -2.308 -10.332 1.00 0.00 N ATOM 2079 CA ILE B 42 -4.057 -2.014 -11.655 1.00 0.00 C ATOM 2080 C ILE B 42 -5.156 -1.869 -12.700 1.00 0.00 C ATOM 2081 O ILE B 42 -6.344 -1.817 -12.373 1.00 0.00 O ATOM 2082 CB ILE B 42 -3.055 -3.093 -12.133 1.00 0.00 C ATOM 2083 CG1 ILE B 42 -3.091 -4.343 -11.241 1.00 0.00 C ATOM 2084 CG2 ILE B 42 -1.648 -2.524 -12.204 1.00 0.00 C ATOM 2085 CD1 ILE B 42 -4.311 -5.217 -11.453 1.00 0.00 C ATOM 0 H ILE B 42 -5.018 -3.236 -10.246 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.528 -1.067 -11.549 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.358 -3.399 -13.134 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -2.195 -4.936 -11.427 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -3.056 -4.033 -10.197 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -0.959 -3.298 -12.542 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -1.628 -1.689 -12.905 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.346 -2.176 -11.216 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -4.262 -6.078 -10.787 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -5.212 -4.643 -11.238 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -4.338 -5.560 -12.487 1.00 0.00 H new ATOM 2097 N GLU B 43 -4.746 -1.815 -13.960 1.00 0.00 N ATOM 2098 CA GLU B 43 -5.672 -1.600 -15.062 1.00 0.00 C ATOM 2099 C GLU B 43 -5.680 -2.812 -15.991 1.00 0.00 C ATOM 2100 O GLU B 43 -4.721 -3.590 -16.025 1.00 0.00 O ATOM 2101 CB GLU B 43 -5.283 -0.328 -15.832 1.00 0.00 C ATOM 2102 CG GLU B 43 -6.225 0.026 -16.977 1.00 0.00 C ATOM 2103 CD GLU B 43 -7.644 0.290 -16.512 1.00 0.00 C ATOM 2104 OE1 GLU B 43 -8.356 -0.682 -16.182 1.00 0.00 O ATOM 2105 OE2 GLU B 43 -8.056 1.469 -16.483 1.00 0.00 O ATOM 0 H GLU B 43 -3.772 -1.918 -14.245 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.677 -1.471 -14.662 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -5.248 0.509 -15.134 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -4.276 -0.453 -16.231 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -5.847 0.909 -17.493 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -6.231 -0.788 -17.701 1.00 0.00 H new ATOM 2112 N ILE B 44 -6.765 -2.976 -16.730 1.00 0.00 N ATOM 2113 CA ILE B 44 -6.889 -4.076 -17.663 1.00 0.00 C ATOM 2114 C ILE B 44 -6.775 -3.571 -19.103 1.00 0.00 C ATOM 2115 O ILE B 44 -7.516 -2.682 -19.530 1.00 0.00 O ATOM 2116 CB ILE B 44 -8.218 -4.847 -17.458 1.00 0.00 C ATOM 2117 CG1 ILE B 44 -8.373 -5.949 -18.509 1.00 0.00 C ATOM 2118 CG2 ILE B 44 -9.410 -3.900 -17.490 1.00 0.00 C ATOM 2119 CD1 ILE B 44 -9.572 -6.845 -18.278 1.00 0.00 C ATOM 0 H ILE B 44 -7.574 -2.356 -16.699 1.00 0.00 H new ATOM 0 HA ILE B 44 -6.071 -4.771 -17.470 1.00 0.00 H new ATOM 0 HB ILE B 44 -8.187 -5.315 -16.474 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -8.458 -5.490 -19.494 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -7.470 -6.560 -18.518 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -10.329 -4.467 -17.344 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -9.309 -3.161 -16.695 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -9.446 -3.393 -18.454 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -9.617 -7.601 -19.061 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -9.480 -7.333 -17.308 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -10.483 -6.247 -18.299 1.00 0.00 H new ATOM 2131 N VAL B 45 -5.826 -4.127 -19.841 1.00 0.00 N ATOM 2132 CA VAL B 45 -5.628 -3.756 -21.232 1.00 0.00 C ATOM 2133 C VAL B 45 -6.414 -4.697 -22.131 1.00 0.00 C ATOM 2134 O VAL B 45 -6.755 -5.804 -21.727 1.00 0.00 O ATOM 2135 CB VAL B 45 -4.135 -3.772 -21.633 1.00 0.00 C ATOM 2136 CG1 VAL B 45 -3.356 -2.737 -20.834 1.00 0.00 C ATOM 2137 CG2 VAL B 45 -3.533 -5.157 -21.448 1.00 0.00 C ATOM 0 H VAL B 45 -5.180 -4.838 -19.498 1.00 0.00 H new ATOM 0 HA VAL B 45 -5.989 -2.735 -21.355 1.00 0.00 H new ATOM 0 HB VAL B 45 -4.067 -3.515 -22.690 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -2.307 -2.763 -21.130 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -3.764 -1.745 -21.029 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -3.439 -2.961 -19.770 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -2.482 -5.139 -21.738 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -3.616 -5.453 -20.402 1.00 0.00 H new ATOM 0 HG23 VAL B 45 -4.069 -5.873 -22.071 1.00 0.00 H new ATOM 2147 N SER B 46 -6.721 -4.265 -23.334 1.00 0.00 N ATOM 2148 CA SER B 46 -7.530 -5.071 -24.225 1.00 0.00 C ATOM 2149 C SER B 46 -6.938 -5.109 -25.625 1.00 0.00 C ATOM 2150 O SER B 46 -6.310 -4.142 -26.069 1.00 0.00 O ATOM 2151 CB SER B 46 -8.956 -4.517 -24.256 1.00 0.00 C ATOM 2152 OG SER B 46 -8.954 -3.095 -24.300 1.00 0.00 O ATOM 0 H SER B 46 -6.426 -3.367 -23.717 1.00 0.00 H new ATOM 0 HA SER B 46 -7.548 -6.095 -23.852 1.00 0.00 H new ATOM 0 HB2 SER B 46 -9.483 -4.910 -25.126 1.00 0.00 H new ATOM 0 HB3 SER B 46 -9.500 -4.856 -23.374 1.00 0.00 H new ATOM 0 HG SER B 46 -9.877 -2.767 -24.321 1.00 0.00 H new ATOM 2158 N GLU B 47 -7.123 -6.232 -26.307 1.00 0.00 N ATOM 2159 CA GLU B 47 -6.717 -6.341 -27.701 1.00 0.00 C ATOM 2160 C GLU B 47 -7.601 -5.441 -28.555 1.00 0.00 C ATOM 2161 O GLU B 47 -8.594 -4.893 -28.063 1.00 0.00 O ATOM 2162 CB GLU B 47 -6.831 -7.787 -28.189 1.00 0.00 C ATOM 2163 CG GLU B 47 -5.963 -8.772 -27.427 1.00 0.00 C ATOM 2164 CD GLU B 47 -4.489 -8.430 -27.486 1.00 0.00 C ATOM 2165 OE1 GLU B 47 -3.855 -8.676 -28.534 1.00 0.00 O ATOM 2166 OE2 GLU B 47 -3.954 -7.919 -26.481 1.00 0.00 O ATOM 0 H GLU B 47 -7.549 -7.075 -25.920 1.00 0.00 H new ATOM 0 HA GLU B 47 -5.676 -6.030 -27.788 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -7.871 -8.103 -28.113 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -6.562 -7.824 -29.245 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -6.283 -8.799 -26.385 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -6.115 -9.772 -27.833 1.00 0.00 H new ATOM 2173 N GLU B 48 -7.258 -5.289 -29.827 1.00 0.00 N ATOM 2174 CA GLU B 48 -8.074 -4.495 -30.726 1.00 0.00 C ATOM 2175 C GLU B 48 -9.432 -5.155 -30.861 1.00 0.00 C ATOM 2176 O GLU B 48 -10.473 -4.519 -30.697 1.00 0.00 O ATOM 2177 CB GLU B 48 -7.410 -4.352 -32.094 1.00 0.00 C ATOM 2178 CG GLU B 48 -8.033 -3.259 -32.939 1.00 0.00 C ATOM 2179 CD GLU B 48 -7.937 -1.903 -32.275 1.00 0.00 C ATOM 2180 OE1 GLU B 48 -8.853 -1.542 -31.508 1.00 0.00 O ATOM 2181 OE2 GLU B 48 -6.940 -1.194 -32.512 1.00 0.00 O ATOM 0 H GLU B 48 -6.428 -5.702 -30.253 1.00 0.00 H new ATOM 0 HA GLU B 48 -8.188 -3.492 -30.314 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -6.350 -4.139 -31.957 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -7.479 -5.300 -32.627 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -7.537 -3.223 -33.909 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -9.080 -3.498 -33.126 1.00 0.00 H new ATOM 2188 N ASP B 49 -9.398 -6.447 -31.134 1.00 0.00 N ATOM 2189 CA ASP B 49 -10.590 -7.271 -31.102 1.00 0.00 C ATOM 2190 C ASP B 49 -10.199 -8.719 -30.889 1.00 0.00 C ATOM 2191 O ASP B 49 -9.747 -9.405 -31.811 1.00 0.00 O ATOM 2192 CB ASP B 49 -11.411 -7.130 -32.376 1.00 0.00 C ATOM 2193 CG ASP B 49 -12.767 -7.791 -32.253 1.00 0.00 C ATOM 2194 OD1 ASP B 49 -13.721 -7.118 -31.799 1.00 0.00 O ATOM 2195 OD2 ASP B 49 -12.891 -8.982 -32.596 1.00 0.00 O ATOM 0 H ASP B 49 -8.547 -6.951 -31.383 1.00 0.00 H new ATOM 0 HA ASP B 49 -11.213 -6.932 -30.275 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -11.543 -6.073 -32.607 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -10.866 -7.573 -33.209 1.00 0.00 H new ATOM 2200 N GLY B 50 -10.347 -9.158 -29.660 1.00 0.00 N ATOM 2201 CA GLY B 50 -9.964 -10.502 -29.289 1.00 0.00 C ATOM 2202 C GLY B 50 -10.306 -10.813 -27.849 1.00 0.00 C ATOM 2203 O GLY B 50 -11.262 -11.541 -27.575 1.00 0.00 O ATOM 0 H GLY B 50 -10.732 -8.601 -28.897 1.00 0.00 H new ATOM 0 HA2 GLY B 50 -10.466 -11.215 -29.943 1.00 0.00 H new ATOM 0 HA3 GLY B 50 -8.892 -10.629 -29.442 1.00 0.00 H new ATOM 2207 N GLY B 51 -9.539 -10.249 -26.925 1.00 0.00 N ATOM 2208 CA GLY B 51 -9.774 -10.492 -25.521 1.00 0.00 C ATOM 2209 C GLY B 51 -8.988 -9.546 -24.640 1.00 0.00 C ATOM 2210 O GLY B 51 -7.856 -9.183 -24.951 1.00 0.00 O ATOM 0 H GLY B 51 -8.757 -9.626 -27.127 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -10.838 -10.385 -25.308 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -9.502 -11.520 -25.281 1.00 0.00 H new ATOM 2214 N ALA B 52 -9.601 -9.128 -23.553 1.00 0.00 N ATOM 2215 CA ALA B 52 -8.950 -8.256 -22.588 1.00 0.00 C ATOM 2216 C ALA B 52 -7.989 -9.043 -21.702 1.00 0.00 C ATOM 2217 O ALA B 52 -8.170 -10.240 -21.475 1.00 0.00 O ATOM 2218 CB ALA B 52 -9.990 -7.541 -21.743 1.00 0.00 C ATOM 0 H ALA B 52 -10.559 -9.379 -23.311 1.00 0.00 H new ATOM 0 HA ALA B 52 -8.370 -7.512 -23.134 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -9.491 -6.891 -21.024 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -10.634 -6.942 -22.388 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -10.593 -8.276 -21.210 1.00 0.00 H new ATOM 2224 N HIS B 53 -6.965 -8.362 -21.208 1.00 0.00 N ATOM 2225 CA HIS B 53 -5.951 -8.978 -20.362 1.00 0.00 C ATOM 2226 C HIS B 53 -5.612 -8.053 -19.203 1.00 0.00 C ATOM 2227 O HIS B 53 -5.263 -6.894 -19.413 1.00 0.00 O ATOM 2228 CB HIS B 53 -4.678 -9.269 -21.163 1.00 0.00 C ATOM 2229 CG HIS B 53 -4.856 -10.299 -22.233 1.00 0.00 C ATOM 2230 ND1 HIS B 53 -4.749 -11.646 -21.995 1.00 0.00 N ATOM 2231 CD2 HIS B 53 -5.143 -10.174 -23.550 1.00 0.00 C ATOM 2232 CE1 HIS B 53 -4.969 -12.308 -23.110 1.00 0.00 C ATOM 2233 NE2 HIS B 53 -5.207 -11.441 -24.075 1.00 0.00 N ATOM 0 H HIS B 53 -6.813 -7.368 -21.382 1.00 0.00 H new ATOM 0 HA HIS B 53 -6.351 -9.917 -19.980 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -4.328 -8.343 -21.619 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -3.898 -9.602 -20.478 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -5.294 -9.250 -24.088 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -4.957 -13.383 -23.217 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -5.405 -11.673 -25.048 1.00 0.00 H new ATOM 2242 N ASN B 54 -5.721 -8.552 -17.987 1.00 0.00 N ATOM 2243 CA ASN B 54 -5.339 -7.768 -16.818 1.00 0.00 C ATOM 2244 C ASN B 54 -3.832 -7.855 -16.634 1.00 0.00 C ATOM 2245 O ASN B 54 -3.242 -8.912 -16.851 1.00 0.00 O ATOM 2246 CB ASN B 54 -6.059 -8.267 -15.563 1.00 0.00 C ATOM 2247 CG ASN B 54 -5.712 -7.452 -14.329 1.00 0.00 C ATOM 2248 OD1 ASN B 54 -4.763 -7.762 -13.613 1.00 0.00 O ATOM 2249 ND2 ASN B 54 -6.481 -6.403 -14.071 1.00 0.00 N ATOM 0 H ASN B 54 -6.067 -9.488 -17.779 1.00 0.00 H new ATOM 0 HA ASN B 54 -5.631 -6.730 -16.975 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -7.136 -8.230 -15.727 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -5.798 -9.311 -15.390 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -6.293 -5.822 -13.254 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -7.260 -6.177 -14.689 1.00 0.00 H new ATOM 2256 N GLN B 55 -3.207 -6.751 -16.257 1.00 0.00 N ATOM 2257 CA GLN B 55 -1.758 -6.699 -16.207 1.00 0.00 C ATOM 2258 C GLN B 55 -1.258 -6.042 -14.926 1.00 0.00 C ATOM 2259 O GLN B 55 -1.552 -4.878 -14.655 1.00 0.00 O ATOM 2260 CB GLN B 55 -1.218 -5.935 -17.419 1.00 0.00 C ATOM 2261 CG GLN B 55 0.299 -5.902 -17.492 1.00 0.00 C ATOM 2262 CD GLN B 55 0.814 -4.995 -18.592 1.00 0.00 C ATOM 2263 OE1 GLN B 55 1.899 -4.426 -18.480 1.00 0.00 O ATOM 2264 NE2 GLN B 55 0.043 -4.848 -19.661 1.00 0.00 N ATOM 0 H GLN B 55 -3.676 -5.888 -15.984 1.00 0.00 H new ATOM 0 HA GLN B 55 -1.393 -7.726 -16.224 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -1.607 -6.392 -18.329 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -1.594 -4.912 -17.390 1.00 0.00 H new ATOM 0 HG2 GLN B 55 0.697 -5.566 -16.534 1.00 0.00 H new ATOM 0 HG3 GLN B 55 0.672 -6.913 -17.656 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -0.850 -5.337 -19.717 1.00 0.00 H new ATOM 0 HE22 GLN B 55 0.343 -4.246 -20.428 1.00 0.00 H new ATOM 2273 N CYS B 56 -0.501 -6.793 -14.143 1.00 0.00 N ATOM 2274 CA CYS B 56 0.200 -6.232 -13.006 1.00 0.00 C ATOM 2275 C CYS B 56 1.588 -5.812 -13.464 1.00 0.00 C ATOM 2276 O CYS B 56 2.478 -6.648 -13.633 1.00 0.00 O ATOM 2277 CB CYS B 56 0.297 -7.246 -11.865 1.00 0.00 C ATOM 2278 SG CYS B 56 1.154 -6.624 -10.399 1.00 0.00 S ATOM 0 H CYS B 56 -0.358 -7.794 -14.277 1.00 0.00 H new ATOM 0 HA CYS B 56 -0.348 -5.370 -12.627 1.00 0.00 H new ATOM 0 HB2 CYS B 56 -0.709 -7.556 -11.581 1.00 0.00 H new ATOM 0 HB3 CYS B 56 0.814 -8.135 -12.226 1.00 0.00 H new ATOM 0 HG CYS B 56 2.161 -7.399 -10.124 1.00 0.00 H new ATOM 2284 N LYS B 57 1.762 -4.515 -13.676 1.00 0.00 N ATOM 2285 CA LYS B 57 2.961 -3.986 -14.323 1.00 0.00 C ATOM 2286 C LYS B 57 4.178 -3.977 -13.393 1.00 0.00 C ATOM 2287 O LYS B 57 5.189 -3.341 -13.690 1.00 0.00 O ATOM 2288 CB LYS B 57 2.674 -2.576 -14.849 1.00 0.00 C ATOM 2289 CG LYS B 57 1.425 -2.515 -15.717 1.00 0.00 C ATOM 2290 CD LYS B 57 1.187 -1.128 -16.291 1.00 0.00 C ATOM 2291 CE LYS B 57 2.254 -0.745 -17.305 1.00 0.00 C ATOM 2292 NZ LYS B 57 1.943 0.545 -17.973 1.00 0.00 N ATOM 0 H LYS B 57 1.083 -3.802 -13.408 1.00 0.00 H new ATOM 0 HA LYS B 57 3.211 -4.648 -15.152 1.00 0.00 H new ATOM 0 HB2 LYS B 57 2.559 -1.895 -14.006 1.00 0.00 H new ATOM 0 HB3 LYS B 57 3.530 -2.227 -15.426 1.00 0.00 H new ATOM 0 HG2 LYS B 57 1.517 -3.232 -16.533 1.00 0.00 H new ATOM 0 HG3 LYS B 57 0.560 -2.814 -15.126 1.00 0.00 H new ATOM 0 HD2 LYS B 57 0.206 -1.094 -16.765 1.00 0.00 H new ATOM 0 HD3 LYS B 57 1.175 -0.397 -15.482 1.00 0.00 H new ATOM 0 HE2 LYS B 57 3.220 -0.672 -16.806 1.00 0.00 H new ATOM 0 HE3 LYS B 57 2.341 -1.531 -18.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 2.772 0.865 -18.514 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 1.137 0.417 -18.618 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 1.702 1.258 -17.256 1.00 0.00 H new ATOM 2306 N LEU B 58 4.086 -4.692 -12.279 1.00 0.00 N ATOM 2307 CA LEU B 58 5.214 -4.829 -11.367 1.00 0.00 C ATOM 2308 C LEU B 58 6.001 -6.099 -11.685 1.00 0.00 C ATOM 2309 O LEU B 58 7.131 -6.037 -12.170 1.00 0.00 O ATOM 2310 CB LEU B 58 4.751 -4.853 -9.901 1.00 0.00 C ATOM 2311 CG LEU B 58 4.363 -3.496 -9.299 1.00 0.00 C ATOM 2312 CD1 LEU B 58 3.100 -2.944 -9.943 1.00 0.00 C ATOM 2313 CD2 LEU B 58 4.178 -3.622 -7.793 1.00 0.00 C ATOM 0 H LEU B 58 3.243 -5.185 -11.986 1.00 0.00 H new ATOM 0 HA LEU B 58 5.859 -3.961 -11.505 1.00 0.00 H new ATOM 0 HB2 LEU B 58 3.894 -5.522 -9.822 1.00 0.00 H new ATOM 0 HB3 LEU B 58 5.549 -5.283 -9.295 1.00 0.00 H new ATOM 0 HG LEU B 58 5.173 -2.795 -9.500 1.00 0.00 H new ATOM 0 HD11 LEU B 58 2.853 -1.982 -9.494 1.00 0.00 H new ATOM 0 HD12 LEU B 58 3.264 -2.813 -11.013 1.00 0.00 H new ATOM 0 HD13 LEU B 58 2.277 -3.640 -9.785 1.00 0.00 H new ATOM 0 HD21 LEU B 58 3.903 -2.652 -7.378 1.00 0.00 H new ATOM 0 HD22 LEU B 58 3.389 -4.344 -7.582 1.00 0.00 H new ATOM 0 HD23 LEU B 58 5.110 -3.960 -7.339 1.00 0.00 H new ATOM 2325 N CYS B 59 5.385 -7.245 -11.433 1.00 0.00 N ATOM 2326 CA CYS B 59 6.024 -8.533 -11.678 1.00 0.00 C ATOM 2327 C CYS B 59 5.810 -8.982 -13.123 1.00 0.00 C ATOM 2328 O CYS B 59 6.424 -9.946 -13.583 1.00 0.00 O ATOM 2329 CB CYS B 59 5.471 -9.578 -10.707 1.00 0.00 C ATOM 2330 SG CYS B 59 3.664 -9.606 -10.615 1.00 0.00 S ATOM 0 H CYS B 59 4.439 -7.311 -11.057 1.00 0.00 H new ATOM 0 HA CYS B 59 7.096 -8.426 -11.515 1.00 0.00 H new ATOM 0 HB2 CYS B 59 5.825 -10.564 -11.008 1.00 0.00 H new ATOM 0 HB3 CYS B 59 5.873 -9.385 -9.712 1.00 0.00 H new ATOM 0 HG CYS B 59 3.287 -10.521 -9.772 1.00 0.00 H new ATOM 2336 N GLY B 60 4.946 -8.273 -13.838 1.00 0.00 N ATOM 2337 CA GLY B 60 4.642 -8.637 -15.208 1.00 0.00 C ATOM 2338 C GLY B 60 3.603 -9.733 -15.276 1.00 0.00 C ATOM 2339 O GLY B 60 3.657 -10.601 -16.144 1.00 0.00 O ATOM 0 H GLY B 60 4.450 -7.451 -13.493 1.00 0.00 H new ATOM 0 HA2 GLY B 60 4.282 -7.760 -15.747 1.00 0.00 H new ATOM 0 HA3 GLY B 60 5.553 -8.967 -15.708 1.00 0.00 H new ATOM 2343 N ALA B 61 2.657 -9.687 -14.353 1.00 0.00 N ATOM 2344 CA ALA B 61 1.626 -10.706 -14.260 1.00 0.00 C ATOM 2345 C ALA B 61 0.480 -10.408 -15.211 1.00 0.00 C ATOM 2346 O ALA B 61 -0.029 -9.288 -15.250 1.00 0.00 O ATOM 2347 CB ALA B 61 1.112 -10.801 -12.838 1.00 0.00 C ATOM 0 H ALA B 61 2.582 -8.949 -13.653 1.00 0.00 H new ATOM 0 HA ALA B 61 2.066 -11.662 -14.544 1.00 0.00 H new ATOM 0 HB1 ALA B 61 0.340 -11.568 -12.781 1.00 0.00 H new ATOM 0 HB2 ALA B 61 1.933 -11.063 -12.171 1.00 0.00 H new ATOM 0 HB3 ALA B 61 0.693 -9.841 -12.538 1.00 0.00 H new ATOM 2353 N SER B 62 0.082 -11.409 -15.974 1.00 0.00 N ATOM 2354 CA SER B 62 -1.011 -11.259 -16.912 1.00 0.00 C ATOM 2355 C SER B 62 -2.159 -12.196 -16.551 1.00 0.00 C ATOM 2356 O SER B 62 -1.951 -13.386 -16.300 1.00 0.00 O ATOM 2357 CB SER B 62 -0.517 -11.524 -18.334 1.00 0.00 C ATOM 2358 OG SER B 62 0.205 -12.746 -18.416 1.00 0.00 O ATOM 0 H SER B 62 0.503 -12.338 -15.961 1.00 0.00 H new ATOM 0 HA SER B 62 -1.384 -10.236 -16.859 1.00 0.00 H new ATOM 0 HB2 SER B 62 -1.367 -11.556 -19.015 1.00 0.00 H new ATOM 0 HB3 SER B 62 0.120 -10.701 -18.658 1.00 0.00 H new ATOM 0 HG SER B 62 -0.175 -13.393 -17.786 1.00 0.00 H new ATOM 2364 N VAL B 63 -3.364 -11.650 -16.501 1.00 0.00 N ATOM 2365 CA VAL B 63 -4.548 -12.428 -16.173 1.00 0.00 C ATOM 2366 C VAL B 63 -5.626 -12.244 -17.236 1.00 0.00 C ATOM 2367 O VAL B 63 -6.138 -11.140 -17.435 1.00 0.00 O ATOM 2368 CB VAL B 63 -5.118 -12.040 -14.791 1.00 0.00 C ATOM 2369 CG1 VAL B 63 -6.433 -12.754 -14.524 1.00 0.00 C ATOM 2370 CG2 VAL B 63 -4.111 -12.356 -13.693 1.00 0.00 C ATOM 0 H VAL B 63 -3.548 -10.664 -16.685 1.00 0.00 H new ATOM 0 HA VAL B 63 -4.246 -13.475 -16.141 1.00 0.00 H new ATOM 0 HB VAL B 63 -5.309 -10.967 -14.793 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -6.813 -12.463 -13.545 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -7.158 -12.480 -15.290 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -6.273 -13.832 -14.545 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -4.528 -12.077 -12.725 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -3.890 -13.423 -13.698 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -3.193 -11.794 -13.868 1.00 0.00 H new ATOM 2380 N PRO B 64 -5.955 -13.319 -17.959 1.00 0.00 N ATOM 2381 CA PRO B 64 -7.026 -13.304 -18.956 1.00 0.00 C ATOM 2382 C PRO B 64 -8.379 -12.954 -18.339 1.00 0.00 C ATOM 2383 O PRO B 64 -8.730 -13.433 -17.258 1.00 0.00 O ATOM 2384 CB PRO B 64 -7.036 -14.738 -19.498 1.00 0.00 C ATOM 2385 CG PRO B 64 -5.688 -15.275 -19.177 1.00 0.00 C ATOM 2386 CD PRO B 64 -5.301 -14.632 -17.877 1.00 0.00 C ATOM 0 HA PRO B 64 -6.857 -12.551 -19.725 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -7.820 -15.332 -19.029 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -7.223 -14.754 -20.572 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -5.709 -16.361 -19.087 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -4.972 -15.034 -19.963 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -5.653 -15.207 -17.020 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -4.220 -14.540 -17.777 1.00 0.00 H new ATOM 2394 N TRP B 65 -9.126 -12.103 -19.029 1.00 0.00 N ATOM 2395 CA TRP B 65 -10.448 -11.692 -18.575 1.00 0.00 C ATOM 2396 C TRP B 65 -11.411 -12.886 -18.590 1.00 0.00 C ATOM 2397 O TRP B 65 -11.144 -13.887 -19.256 1.00 0.00 O ATOM 2398 CB TRP B 65 -10.961 -10.549 -19.461 1.00 0.00 C ATOM 2399 CG TRP B 65 -12.201 -9.874 -18.950 1.00 0.00 C ATOM 2400 CD1 TRP B 65 -13.330 -9.597 -19.664 1.00 0.00 C ATOM 2401 CD2 TRP B 65 -12.439 -9.386 -17.623 1.00 0.00 C ATOM 2402 NE1 TRP B 65 -14.256 -8.973 -18.865 1.00 0.00 N ATOM 2403 CE2 TRP B 65 -13.735 -8.831 -17.609 1.00 0.00 C ATOM 2404 CE3 TRP B 65 -11.686 -9.367 -16.444 1.00 0.00 C ATOM 2405 CZ2 TRP B 65 -14.289 -8.263 -16.466 1.00 0.00 C ATOM 2406 CZ3 TRP B 65 -12.238 -8.803 -15.311 1.00 0.00 C ATOM 2407 CH2 TRP B 65 -13.530 -8.259 -15.328 1.00 0.00 C ATOM 0 H TRP B 65 -8.836 -11.681 -19.911 1.00 0.00 H new ATOM 0 HA TRP B 65 -10.386 -11.332 -17.548 1.00 0.00 H new ATOM 0 HB2 TRP B 65 -10.172 -9.803 -19.563 1.00 0.00 H new ATOM 0 HB3 TRP B 65 -11.161 -10.941 -20.458 1.00 0.00 H new ATOM 0 HD1 TRP B 65 -13.475 -9.834 -20.708 1.00 0.00 H new ATOM 0 HE1 TRP B 65 -15.182 -8.665 -19.161 1.00 0.00 H new ATOM 0 HE3 TRP B 65 -10.691 -9.786 -16.421 1.00 0.00 H new ATOM 0 HZ2 TRP B 65 -15.283 -7.840 -16.477 1.00 0.00 H new ATOM 0 HZ3 TRP B 65 -11.665 -8.781 -14.396 1.00 0.00 H new ATOM 0 HH2 TRP B 65 -13.934 -7.828 -14.424 1.00 0.00 H new ATOM 2418 N LEU B 66 -12.519 -12.756 -17.848 1.00 0.00 N ATOM 2419 CA LEU B 66 -13.513 -13.827 -17.649 1.00 0.00 C ATOM 2420 C LEU B 66 -13.090 -14.783 -16.539 1.00 0.00 C ATOM 2421 O LEU B 66 -13.914 -15.530 -16.009 1.00 0.00 O ATOM 2422 CB LEU B 66 -13.811 -14.618 -18.934 1.00 0.00 C ATOM 2423 CG LEU B 66 -14.847 -14.001 -19.881 1.00 0.00 C ATOM 2424 CD1 LEU B 66 -16.161 -13.762 -19.156 1.00 0.00 C ATOM 2425 CD2 LEU B 66 -14.332 -12.712 -20.502 1.00 0.00 C ATOM 0 H LEU B 66 -12.756 -11.892 -17.361 1.00 0.00 H new ATOM 0 HA LEU B 66 -14.433 -13.323 -17.355 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -12.878 -14.745 -19.483 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -14.154 -15.614 -18.652 1.00 0.00 H new ATOM 0 HG LEU B 66 -15.023 -14.711 -20.689 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -16.883 -13.324 -19.846 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -16.547 -14.710 -18.781 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -15.997 -13.081 -18.321 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -15.091 -12.300 -21.168 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -14.111 -11.992 -19.714 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -13.425 -12.919 -21.070 1.00 0.00 H new ATOM 2437 N GLN B 67 -11.814 -14.754 -16.181 1.00 0.00 N ATOM 2438 CA GLN B 67 -11.319 -15.564 -15.074 1.00 0.00 C ATOM 2439 C GLN B 67 -11.707 -14.949 -13.732 1.00 0.00 C ATOM 2440 O GLN B 67 -12.228 -13.835 -13.678 1.00 0.00 O ATOM 2441 CB GLN B 67 -9.799 -15.738 -15.156 1.00 0.00 C ATOM 2442 CG GLN B 67 -9.355 -16.696 -16.252 1.00 0.00 C ATOM 2443 CD GLN B 67 -7.863 -16.982 -16.228 1.00 0.00 C ATOM 2444 OE1 GLN B 67 -7.256 -17.253 -17.263 1.00 0.00 O ATOM 2445 NE2 GLN B 67 -7.262 -16.946 -15.049 1.00 0.00 N ATOM 0 H GLN B 67 -11.104 -14.181 -16.638 1.00 0.00 H new ATOM 0 HA GLN B 67 -11.783 -16.547 -15.152 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -9.339 -14.765 -15.327 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -9.431 -16.101 -14.196 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -9.900 -17.634 -16.148 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -9.623 -16.277 -17.222 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -7.797 -16.717 -14.211 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -6.264 -17.147 -14.979 1.00 0.00 H new ATOM 2454 N THR B 68 -11.445 -15.677 -12.652 1.00 0.00 N ATOM 2455 CA THR B 68 -11.822 -15.238 -11.308 1.00 0.00 C ATOM 2456 C THR B 68 -10.829 -14.217 -10.748 1.00 0.00 C ATOM 2457 O THR B 68 -10.936 -13.788 -9.600 1.00 0.00 O ATOM 2458 CB THR B 68 -11.919 -16.442 -10.344 1.00 0.00 C ATOM 2459 OG1 THR B 68 -12.471 -16.034 -9.082 1.00 0.00 O ATOM 2460 CG2 THR B 68 -10.553 -17.076 -10.118 1.00 0.00 C ATOM 0 H THR B 68 -10.970 -16.579 -12.679 1.00 0.00 H new ATOM 0 HA THR B 68 -12.799 -14.761 -11.390 1.00 0.00 H new ATOM 0 HB THR B 68 -12.576 -17.180 -10.804 1.00 0.00 H new ATOM 0 HG1 THR B 68 -12.169 -15.126 -8.871 1.00 0.00 H new ATOM 0 HG21 THR B 68 -10.652 -17.920 -9.436 1.00 0.00 H new ATOM 0 HG22 THR B 68 -10.151 -17.424 -11.070 1.00 0.00 H new ATOM 0 HG23 THR B 68 -9.876 -16.338 -9.686 1.00 0.00 H new ATOM 2468 N GLY B 69 -9.860 -13.841 -11.560 1.00 0.00 N ATOM 2469 CA GLY B 69 -8.847 -12.902 -11.123 1.00 0.00 C ATOM 2470 C GLY B 69 -7.504 -13.573 -10.978 1.00 0.00 C ATOM 2471 O GLY B 69 -6.465 -12.932 -11.128 1.00 0.00 O ATOM 0 H GLY B 69 -9.753 -14.169 -12.520 1.00 0.00 H new ATOM 0 HA2 GLY B 69 -8.772 -12.085 -11.840 1.00 0.00 H new ATOM 0 HA3 GLY B 69 -9.142 -12.463 -10.170 1.00 0.00 H new ATOM 2543 N HIS B 74 2.216 -14.213 -9.020 1.00 0.00 N ATOM 2544 CA HIS B 74 3.158 -13.275 -8.441 1.00 0.00 C ATOM 2545 C HIS B 74 4.368 -13.977 -7.844 1.00 0.00 C ATOM 2546 O HIS B 74 4.364 -15.191 -7.643 1.00 0.00 O ATOM 2547 CB HIS B 74 2.454 -12.490 -7.327 1.00 0.00 C ATOM 2548 CG HIS B 74 1.909 -13.374 -6.233 1.00 0.00 C ATOM 2549 ND1 HIS B 74 2.640 -13.738 -5.121 1.00 0.00 N ATOM 2550 CD2 HIS B 74 0.708 -13.986 -6.101 1.00 0.00 C ATOM 2551 CE1 HIS B 74 1.914 -14.534 -4.358 1.00 0.00 C ATOM 2552 NE2 HIS B 74 0.737 -14.700 -4.929 1.00 0.00 N ATOM 0 HA HIS B 74 3.504 -12.615 -9.237 1.00 0.00 H new ATOM 0 HB2 HIS B 74 3.156 -11.777 -6.894 1.00 0.00 H new ATOM 0 HB3 HIS B 74 1.637 -11.911 -7.759 1.00 0.00 H new ATOM 0 HD1 HIS B 74 3.594 -13.438 -4.920 1.00 0.00 H new ATOM 0 HD2 HIS B 74 -0.120 -13.924 -6.791 1.00 0.00 H new ATOM 0 HE1 HIS B 74 2.230 -14.975 -3.424 1.00 0.00 H new ATOM 2561 N ALA B 75 5.390 -13.190 -7.552 1.00 0.00 N ATOM 2562 CA ALA B 75 6.477 -13.633 -6.710 1.00 0.00 C ATOM 2563 C ALA B 75 6.068 -13.379 -5.265 1.00 0.00 C ATOM 2564 O ALA B 75 5.146 -12.602 -5.014 1.00 0.00 O ATOM 2565 CB ALA B 75 7.762 -12.896 -7.060 1.00 0.00 C ATOM 0 H ALA B 75 5.485 -12.233 -7.892 1.00 0.00 H new ATOM 0 HA ALA B 75 6.673 -14.695 -6.861 1.00 0.00 H new ATOM 0 HB1 ALA B 75 8.568 -13.244 -6.415 1.00 0.00 H new ATOM 0 HB2 ALA B 75 8.021 -13.090 -8.101 1.00 0.00 H new ATOM 0 HB3 ALA B 75 7.618 -11.825 -6.916 1.00 0.00 H new ATOM 2571 N ASP B 76 6.721 -14.022 -4.322 1.00 0.00 N ATOM 2572 CA ASP B 76 6.316 -13.913 -2.923 1.00 0.00 C ATOM 2573 C ASP B 76 6.939 -12.679 -2.269 1.00 0.00 C ATOM 2574 O ASP B 76 6.443 -12.176 -1.264 1.00 0.00 O ATOM 2575 CB ASP B 76 6.704 -15.185 -2.163 1.00 0.00 C ATOM 2576 CG ASP B 76 6.069 -15.268 -0.789 1.00 0.00 C ATOM 2577 OD1 ASP B 76 4.835 -15.441 -0.708 1.00 0.00 O ATOM 2578 OD2 ASP B 76 6.806 -15.191 0.216 1.00 0.00 O ATOM 0 H ASP B 76 7.529 -14.623 -4.488 1.00 0.00 H new ATOM 0 HA ASP B 76 5.233 -13.800 -2.884 1.00 0.00 H new ATOM 0 HB2 ASP B 76 6.408 -16.056 -2.748 1.00 0.00 H new ATOM 0 HB3 ASP B 76 7.788 -15.224 -2.060 1.00 0.00 H new ATOM 2583 N ASP B 77 8.007 -12.176 -2.876 1.00 0.00 N ATOM 2584 CA ASP B 77 8.743 -11.033 -2.331 1.00 0.00 C ATOM 2585 C ASP B 77 8.109 -9.701 -2.752 1.00 0.00 C ATOM 2586 O ASP B 77 8.499 -8.634 -2.274 1.00 0.00 O ATOM 2587 CB ASP B 77 10.204 -11.091 -2.792 1.00 0.00 C ATOM 2588 CG ASP B 77 11.075 -10.047 -2.121 1.00 0.00 C ATOM 2589 OD1 ASP B 77 11.432 -10.238 -0.940 1.00 0.00 O ATOM 2590 OD2 ASP B 77 11.408 -9.033 -2.768 1.00 0.00 O ATOM 0 H ASP B 77 8.387 -12.541 -3.750 1.00 0.00 H new ATOM 0 HA ASP B 77 8.700 -11.090 -1.243 1.00 0.00 H new ATOM 0 HB2 ASP B 77 10.607 -12.082 -2.583 1.00 0.00 H new ATOM 0 HB3 ASP B 77 10.245 -10.952 -3.872 1.00 0.00 H new ATOM 2595 N CYS B 78 7.121 -9.770 -3.638 1.00 0.00 N ATOM 2596 CA CYS B 78 6.458 -8.570 -4.148 1.00 0.00 C ATOM 2597 C CYS B 78 5.753 -7.800 -3.026 1.00 0.00 C ATOM 2598 O CYS B 78 5.112 -8.397 -2.159 1.00 0.00 O ATOM 2599 CB CYS B 78 5.451 -8.947 -5.238 1.00 0.00 C ATOM 2600 SG CYS B 78 6.185 -9.805 -6.648 1.00 0.00 S ATOM 0 H CYS B 78 6.760 -10.644 -4.020 1.00 0.00 H new ATOM 0 HA CYS B 78 7.223 -7.920 -4.573 1.00 0.00 H new ATOM 0 HB2 CYS B 78 4.679 -9.580 -4.802 1.00 0.00 H new ATOM 0 HB3 CYS B 78 4.958 -8.042 -5.593 1.00 0.00 H new ATOM 0 HG CYS B 78 5.258 -10.085 -7.516 1.00 0.00 H new ATOM 2606 N PRO B 79 5.857 -6.456 -3.046 1.00 0.00 N ATOM 2607 CA PRO B 79 5.273 -5.586 -2.010 1.00 0.00 C ATOM 2608 C PRO B 79 3.770 -5.791 -1.855 1.00 0.00 C ATOM 2609 O PRO B 79 3.234 -5.742 -0.750 1.00 0.00 O ATOM 2610 CB PRO B 79 5.566 -4.169 -2.514 1.00 0.00 C ATOM 2611 CG PRO B 79 6.714 -4.319 -3.452 1.00 0.00 C ATOM 2612 CD PRO B 79 6.562 -5.677 -4.080 1.00 0.00 C ATOM 0 HA PRO B 79 5.694 -5.797 -1.027 1.00 0.00 H new ATOM 0 HB2 PRO B 79 4.699 -3.743 -3.018 1.00 0.00 H new ATOM 0 HB3 PRO B 79 5.816 -3.501 -1.689 1.00 0.00 H new ATOM 0 HG2 PRO B 79 6.704 -3.535 -4.210 1.00 0.00 H new ATOM 0 HG3 PRO B 79 7.663 -4.238 -2.923 1.00 0.00 H new ATOM 0 HD2 PRO B 79 5.990 -5.629 -5.007 1.00 0.00 H new ATOM 0 HD3 PRO B 79 7.529 -6.117 -4.325 1.00 0.00 H new ATOM 2620 N VAL B 80 3.095 -6.029 -2.970 1.00 0.00 N ATOM 2621 CA VAL B 80 1.660 -6.287 -2.954 1.00 0.00 C ATOM 2622 C VAL B 80 1.347 -7.535 -2.129 1.00 0.00 C ATOM 2623 O VAL B 80 0.363 -7.583 -1.397 1.00 0.00 O ATOM 2624 CB VAL B 80 1.116 -6.472 -4.388 1.00 0.00 C ATOM 2625 CG1 VAL B 80 -0.391 -6.687 -4.382 1.00 0.00 C ATOM 2626 CG2 VAL B 80 1.481 -5.273 -5.252 1.00 0.00 C ATOM 0 H VAL B 80 3.517 -6.049 -3.898 1.00 0.00 H new ATOM 0 HA VAL B 80 1.174 -5.423 -2.500 1.00 0.00 H new ATOM 0 HB VAL B 80 1.579 -7.363 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.744 -6.814 -5.405 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -0.629 -7.579 -3.803 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.880 -5.822 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.091 -5.418 -6.259 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.049 -4.370 -4.822 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.565 -5.172 -5.294 1.00 0.00 H new ATOM 2636 N VAL B 81 2.220 -8.527 -2.233 1.00 0.00 N ATOM 2637 CA VAL B 81 2.028 -9.802 -1.558 1.00 0.00 C ATOM 2638 C VAL B 81 2.285 -9.678 -0.059 1.00 0.00 C ATOM 2639 O VAL B 81 1.525 -10.204 0.755 1.00 0.00 O ATOM 2640 CB VAL B 81 2.954 -10.882 -2.149 1.00 0.00 C ATOM 2641 CG1 VAL B 81 2.659 -12.245 -1.536 1.00 0.00 C ATOM 2642 CG2 VAL B 81 2.806 -10.925 -3.657 1.00 0.00 C ATOM 0 H VAL B 81 3.076 -8.471 -2.784 1.00 0.00 H new ATOM 0 HA VAL B 81 0.990 -10.097 -1.713 1.00 0.00 H new ATOM 0 HB VAL B 81 3.986 -10.625 -1.908 1.00 0.00 H new ATOM 0 HG11 VAL B 81 3.325 -12.991 -1.969 1.00 0.00 H new ATOM 0 HG12 VAL B 81 2.816 -12.201 -0.458 1.00 0.00 H new ATOM 0 HG13 VAL B 81 1.624 -12.520 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL B 81 3.465 -11.691 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL B 81 1.773 -11.159 -3.915 1.00 0.00 H new ATOM 0 HG23 VAL B 81 3.074 -9.955 -4.077 1.00 0.00 H new ATOM 2652 N ILE B 82 3.351 -8.969 0.299 1.00 0.00 N ATOM 2653 CA ILE B 82 3.711 -8.790 1.700 1.00 0.00 C ATOM 2654 C ILE B 82 2.613 -8.006 2.422 1.00 0.00 C ATOM 2655 O ILE B 82 2.284 -8.296 3.568 1.00 0.00 O ATOM 2656 CB ILE B 82 5.107 -8.109 1.842 1.00 0.00 C ATOM 2657 CG1 ILE B 82 5.721 -8.368 3.231 1.00 0.00 C ATOM 2658 CG2 ILE B 82 5.038 -6.614 1.562 1.00 0.00 C ATOM 2659 CD1 ILE B 82 5.205 -7.464 4.336 1.00 0.00 C ATOM 0 H ILE B 82 3.979 -8.510 -0.361 1.00 0.00 H new ATOM 0 HA ILE B 82 3.793 -9.769 2.172 1.00 0.00 H new ATOM 0 HB ILE B 82 5.756 -8.561 1.092 1.00 0.00 H new ATOM 0 HG12 ILE B 82 5.529 -9.404 3.510 1.00 0.00 H new ATOM 0 HG13 ILE B 82 6.803 -8.252 3.162 1.00 0.00 H new ATOM 0 HG21 ILE B 82 6.031 -6.177 1.671 1.00 0.00 H new ATOM 0 HG22 ILE B 82 4.680 -6.450 0.546 1.00 0.00 H new ATOM 0 HG23 ILE B 82 4.354 -6.143 2.268 1.00 0.00 H new ATOM 0 HD11 ILE B 82 5.695 -7.721 5.275 1.00 0.00 H new ATOM 0 HD12 ILE B 82 5.421 -6.425 4.087 1.00 0.00 H new ATOM 0 HD13 ILE B 82 4.128 -7.595 4.440 1.00 0.00 H new ATOM 2671 N ALA B 83 2.013 -7.051 1.717 1.00 0.00 N ATOM 2672 CA ALA B 83 0.901 -6.273 2.259 1.00 0.00 C ATOM 2673 C ALA B 83 -0.331 -7.146 2.476 1.00 0.00 C ATOM 2674 O ALA B 83 -1.038 -7.001 3.474 1.00 0.00 O ATOM 2675 CB ALA B 83 0.571 -5.110 1.338 1.00 0.00 C ATOM 0 H ALA B 83 2.279 -6.796 0.766 1.00 0.00 H new ATOM 0 HA ALA B 83 1.207 -5.879 3.228 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -0.259 -4.540 1.755 1.00 0.00 H new ATOM 0 HB2 ALA B 83 1.443 -4.463 1.242 1.00 0.00 H new ATOM 0 HB3 ALA B 83 0.292 -5.492 0.356 1.00 0.00 H new ATOM 2681 N LYS B 84 -0.576 -8.061 1.546 1.00 0.00 N ATOM 2682 CA LYS B 84 -1.706 -8.977 1.652 1.00 0.00 C ATOM 2683 C LYS B 84 -1.542 -9.902 2.849 1.00 0.00 C ATOM 2684 O LYS B 84 -2.511 -10.244 3.523 1.00 0.00 O ATOM 2685 CB LYS B 84 -1.853 -9.805 0.378 1.00 0.00 C ATOM 2686 CG LYS B 84 -2.312 -9.009 -0.828 1.00 0.00 C ATOM 2687 CD LYS B 84 -2.513 -9.912 -2.027 1.00 0.00 C ATOM 2688 CE LYS B 84 -3.138 -9.163 -3.189 1.00 0.00 C ATOM 2689 NZ LYS B 84 -3.541 -10.085 -4.282 1.00 0.00 N ATOM 0 H LYS B 84 -0.007 -8.189 0.709 1.00 0.00 H new ATOM 0 HA LYS B 84 -2.607 -8.379 1.790 1.00 0.00 H new ATOM 0 HB2 LYS B 84 -0.895 -10.272 0.149 1.00 0.00 H new ATOM 0 HB3 LYS B 84 -2.565 -10.610 0.561 1.00 0.00 H new ATOM 0 HG2 LYS B 84 -3.244 -8.494 -0.595 1.00 0.00 H new ATOM 0 HG3 LYS B 84 -1.574 -8.242 -1.065 1.00 0.00 H new ATOM 0 HD2 LYS B 84 -1.554 -10.328 -2.335 1.00 0.00 H new ATOM 0 HD3 LYS B 84 -3.150 -10.751 -1.749 1.00 0.00 H new ATOM 0 HE2 LYS B 84 -4.010 -8.610 -2.839 1.00 0.00 H new ATOM 0 HE3 LYS B 84 -2.429 -8.430 -3.574 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 -3.964 -9.538 -5.059 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 -2.705 -10.594 -4.632 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 -4.237 -10.769 -3.921 1.00 0.00 H new ATOM 2703 N GLN B 85 -0.312 -10.312 3.102 1.00 0.00 N ATOM 2704 CA GLN B 85 -0.012 -11.152 4.244 1.00 0.00 C ATOM 2705 C GLN B 85 -0.213 -10.396 5.553 1.00 0.00 C ATOM 2706 O GLN B 85 -0.486 -11.003 6.584 1.00 0.00 O ATOM 2707 CB GLN B 85 1.412 -11.674 4.136 1.00 0.00 C ATOM 2708 CG GLN B 85 1.596 -12.673 3.006 1.00 0.00 C ATOM 2709 CD GLN B 85 3.036 -13.107 2.841 1.00 0.00 C ATOM 2710 OE1 GLN B 85 3.476 -14.082 3.448 1.00 0.00 O ATOM 2711 NE2 GLN B 85 3.777 -12.390 2.012 1.00 0.00 N ATOM 0 H GLN B 85 0.497 -10.075 2.528 1.00 0.00 H new ATOM 0 HA GLN B 85 -0.701 -11.996 4.245 1.00 0.00 H new ATOM 0 HB2 GLN B 85 2.090 -10.834 3.985 1.00 0.00 H new ATOM 0 HB3 GLN B 85 1.693 -12.144 5.078 1.00 0.00 H new ATOM 0 HG2 GLN B 85 0.976 -13.549 3.196 1.00 0.00 H new ATOM 0 HG3 GLN B 85 1.245 -12.230 2.074 1.00 0.00 H new ATOM 0 HE21 GLN B 85 3.371 -11.589 1.529 1.00 0.00 H new ATOM 0 HE22 GLN B 85 4.754 -12.639 1.856 1.00 0.00 H new ATOM 2720 N ILE B 86 -0.080 -9.073 5.498 1.00 0.00 N ATOM 2721 CA ILE B 86 -0.274 -8.230 6.675 1.00 0.00 C ATOM 2722 C ILE B 86 -1.756 -8.122 7.035 1.00 0.00 C ATOM 2723 O ILE B 86 -2.124 -8.217 8.206 1.00 0.00 O ATOM 2724 CB ILE B 86 0.301 -6.809 6.457 1.00 0.00 C ATOM 2725 CG1 ILE B 86 1.819 -6.867 6.266 1.00 0.00 C ATOM 2726 CG2 ILE B 86 -0.055 -5.896 7.622 1.00 0.00 C ATOM 2727 CD1 ILE B 86 2.446 -5.523 5.960 1.00 0.00 C ATOM 0 H ILE B 86 0.162 -8.561 4.650 1.00 0.00 H new ATOM 0 HA ILE B 86 0.263 -8.705 7.496 1.00 0.00 H new ATOM 0 HB ILE B 86 -0.146 -6.397 5.552 1.00 0.00 H new ATOM 0 HG12 ILE B 86 2.275 -7.273 7.169 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.048 -7.558 5.455 1.00 0.00 H new ATOM 0 HG21 ILE B 86 0.360 -4.903 7.446 1.00 0.00 H new ATOM 0 HG22 ILE B 86 -1.139 -5.826 7.711 1.00 0.00 H new ATOM 0 HG23 ILE B 86 0.359 -6.304 8.544 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.522 -5.643 5.838 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.019 -5.123 5.040 1.00 0.00 H new ATOM 0 HD13 ILE B 86 2.249 -4.834 6.781 1.00 0.00 H new ATOM 2739 N LEU B 87 -2.606 -7.936 6.027 1.00 0.00 N ATOM 2740 CA LEU B 87 -4.037 -7.771 6.266 1.00 0.00 C ATOM 2741 C LEU B 87 -4.656 -9.055 6.816 1.00 0.00 C ATOM 2742 O LEU B 87 -5.683 -9.016 7.496 1.00 0.00 O ATOM 2743 CB LEU B 87 -4.764 -7.296 4.994 1.00 0.00 C ATOM 2744 CG LEU B 87 -4.727 -8.230 3.776 1.00 0.00 C ATOM 2745 CD1 LEU B 87 -5.808 -9.302 3.858 1.00 0.00 C ATOM 2746 CD2 LEU B 87 -4.873 -7.428 2.491 1.00 0.00 C ATOM 0 H LEU B 87 -2.331 -7.896 5.045 1.00 0.00 H new ATOM 0 HA LEU B 87 -4.161 -6.996 7.022 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -5.808 -7.114 5.249 1.00 0.00 H new ATOM 0 HB3 LEU B 87 -4.337 -6.338 4.698 1.00 0.00 H new ATOM 0 HG LEU B 87 -3.760 -8.734 3.773 1.00 0.00 H new ATOM 0 HD11 LEU B 87 -5.751 -9.944 2.979 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -5.658 -9.902 4.756 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -6.789 -8.828 3.898 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -4.845 -8.103 1.636 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -5.823 -6.894 2.501 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -4.055 -6.711 2.414 1.00 0.00 H new ATOM 2758 N SER B 88 -4.027 -10.186 6.519 1.00 0.00 N ATOM 2759 CA SER B 88 -4.453 -11.458 7.062 1.00 0.00 C ATOM 2760 C SER B 88 -3.952 -11.605 8.496 1.00 0.00 C ATOM 2761 O SER B 88 -2.812 -12.013 8.730 1.00 0.00 O ATOM 2762 CB SER B 88 -3.929 -12.604 6.198 1.00 0.00 C ATOM 2763 OG SER B 88 -4.423 -12.523 4.870 1.00 0.00 O ATOM 0 H SER B 88 -3.217 -10.242 5.902 1.00 0.00 H new ATOM 0 HA SER B 88 -5.542 -11.495 7.063 1.00 0.00 H new ATOM 0 HB2 SER B 88 -2.839 -12.581 6.184 1.00 0.00 H new ATOM 0 HB3 SER B 88 -4.222 -13.557 6.639 1.00 0.00 H new ATOM 0 HG SER B 88 -3.910 -11.854 4.370 1.00 0.00 H new ATOM 2769 N SER B 89 -4.806 -11.251 9.448 1.00 0.00 N ATOM 2770 CA SER B 89 -4.450 -11.279 10.857 1.00 0.00 C ATOM 2771 C SER B 89 -4.342 -12.712 11.364 1.00 0.00 C ATOM 2772 O SER B 89 -5.337 -13.321 11.759 1.00 0.00 O ATOM 2773 CB SER B 89 -5.484 -10.494 11.670 1.00 0.00 C ATOM 2774 OG SER B 89 -6.806 -10.888 11.325 1.00 0.00 O ATOM 0 H SER B 89 -5.759 -10.938 9.265 1.00 0.00 H new ATOM 0 HA SER B 89 -3.474 -10.809 10.979 1.00 0.00 H new ATOM 0 HB2 SER B 89 -5.317 -10.659 12.734 1.00 0.00 H new ATOM 0 HB3 SER B 89 -5.360 -9.426 11.490 1.00 0.00 H new ATOM 0 HG SER B 89 -6.870 -11.866 11.340 1.00 0.00 H new