USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=37 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: A 57 LYS NZ :NH3+ -176:sc= 1.15 (180deg=-0.00517) USER MOD Set 1.2: B 40 THR OG1 : rot 90:sc= 1 USER MOD Set 2.1: A 54 ASN : amide:sc= -2.22! C(o=-0.25!,f=-0.32!) USER MOD Set 2.2: A 56 CYS SG : rot 10:sc= 0.71 USER MOD Set 2.3: A 84 LYS NZ :NH3+ -139:sc= 1.26 (180deg=-0.00319) USER MOD Single : A 18 TYR OH : rot 18:sc= 0.712 USER MOD Single : A 20 GLN : amide:sc= -0.423 K(o=-0.42,f=-1.5) USER MOD Single : A 22 MET CE :methyl 169:sc= -0.792 (180deg=-0.949) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0462 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0199 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -34:sc= 0.196 USER MOD Single : A 53 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.049) USER MOD Single : A 55 GLN : amide:sc= 0.269 X(o=0.27,f=0) USER MOD Single : A 59 CYS SG : rot -15:sc= -2.42! USER MOD Single : A 62 SER OG : rot 42:sc= 0.093 USER MOD Single : A 67 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.017) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.6!) USER MOD Single : A 78 CYS SG : rot -108:sc= -0.0909 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.0405 F(o=-0.71,f=-0.04) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -10:sc= 1.12 USER MOD Single : B 18 TYR OH : rot 36:sc= 1.23 USER MOD Single : B 20 GLN : amide:sc=-0.00207 X(o=-0.0021,f=-0.063) USER MOD Single : B 22 MET CE :methyl 147:sc= -0.616 (180deg=-2.15) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.275 USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 137:sc= 0.214 (180deg=0) USER MOD Single : B 35 THR OG1 : rot 94:sc= 1.25 USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 53 HIS : no HD1:sc= 0.334 K(o=0.33,f=-1.9) USER MOD Single : B 54 ASN :FLIP amide:sc= -1.86! C(o=-4.5!,f=-1.9!) USER MOD Single : B 55 GLN : amide:sc= -0.879 K(o=-0.88,f=-5.1!) USER MOD Single : B 56 CYS SG : rot 180:sc= -0.382 USER MOD Single : B 57 LYS NZ :NH3+ 176:sc= -0.413 (180deg=-0.713) USER MOD Single : B 59 CYS SG : rot 0:sc= 0.455 USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 67 GLN :FLIP amide:sc= -0.087 F(o=-2.4!,f=-0.087) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 74 HIS : no HE2:sc= 1.25 K(o=1.2,f=-3.7!) USER MOD Single : B 78 CYS SG : rot 180:sc= 0 USER MOD Single : B 84 LYS NZ :NH3+ -136:sc= -0.359 (180deg=-2.16!) USER MOD Single : B 85 GLN : amide:sc=-0.00361 X(o=-0.0036,f=-0.0036) USER MOD Single : B 88 SER OG : rot 61:sc= 1.31 USER MOD Single : B 89 SER OG : rot 9:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 239 N LEU A 17 9.091 -6.774 10.764 1.00 0.00 N ATOM 240 CA LEU A 17 8.572 -6.452 12.080 1.00 0.00 C ATOM 241 C LEU A 17 7.097 -6.089 11.984 1.00 0.00 C ATOM 242 O LEU A 17 6.693 -5.311 11.120 1.00 0.00 O ATOM 243 CB LEU A 17 9.374 -5.301 12.695 1.00 0.00 C ATOM 244 CG LEU A 17 10.846 -5.613 12.984 1.00 0.00 C ATOM 245 CD1 LEU A 17 11.592 -4.353 13.389 1.00 0.00 C ATOM 246 CD2 LEU A 17 10.961 -6.671 14.069 1.00 0.00 C ATOM 0 HA LEU A 17 8.672 -7.324 12.726 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.326 -4.445 12.021 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.893 -5.001 13.626 1.00 0.00 H new ATOM 0 HG LEU A 17 11.300 -6.001 12.072 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.635 -4.597 13.590 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.539 -3.623 12.581 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.138 -3.934 14.287 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.013 -6.881 14.262 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.490 -6.308 14.982 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.463 -7.584 13.742 1.00 0.00 H new ATOM 258 N TYR A 18 6.300 -6.666 12.864 1.00 0.00 N ATOM 259 CA TYR A 18 4.862 -6.450 12.856 1.00 0.00 C ATOM 260 C TYR A 18 4.495 -5.371 13.879 1.00 0.00 C ATOM 261 O TYR A 18 5.380 -4.769 14.489 1.00 0.00 O ATOM 262 CB TYR A 18 4.147 -7.779 13.159 1.00 0.00 C ATOM 263 CG TYR A 18 2.693 -7.824 12.728 1.00 0.00 C ATOM 264 CD1 TYR A 18 2.339 -7.616 11.400 1.00 0.00 C ATOM 265 CD2 TYR A 18 1.679 -8.070 13.647 1.00 0.00 C ATOM 266 CE1 TYR A 18 1.018 -7.653 11.000 1.00 0.00 C ATOM 267 CE2 TYR A 18 0.353 -8.107 13.253 1.00 0.00 C ATOM 268 CZ TYR A 18 0.029 -7.900 11.928 1.00 0.00 C ATOM 269 OH TYR A 18 -1.288 -7.926 11.531 1.00 0.00 O ATOM 0 H TYR A 18 6.626 -7.293 13.600 1.00 0.00 H new ATOM 0 HA TYR A 18 4.541 -6.103 11.874 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.685 -8.587 12.664 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.201 -7.970 14.231 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.110 -7.422 10.669 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.930 -8.235 14.684 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.761 -7.489 9.964 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.424 -8.297 13.979 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.334 -8.042 10.559 1.00 0.00 H new ATOM 279 N PHE A 19 3.198 -5.121 14.052 1.00 0.00 N ATOM 280 CA PHE A 19 2.714 -4.119 15.001 1.00 0.00 C ATOM 281 C PHE A 19 3.241 -4.390 16.412 1.00 0.00 C ATOM 282 O PHE A 19 3.650 -5.510 16.723 1.00 0.00 O ATOM 283 CB PHE A 19 1.180 -4.099 15.015 1.00 0.00 C ATOM 284 CG PHE A 19 0.561 -3.686 13.707 1.00 0.00 C ATOM 285 CD1 PHE A 19 0.471 -4.577 12.652 1.00 0.00 C ATOM 286 CD2 PHE A 19 0.070 -2.403 13.534 1.00 0.00 C ATOM 287 CE1 PHE A 19 -0.095 -4.198 11.450 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.497 -2.017 12.335 1.00 0.00 C ATOM 289 CZ PHE A 19 -0.579 -2.916 11.292 1.00 0.00 C ATOM 0 H PHE A 19 2.458 -5.603 13.542 1.00 0.00 H new ATOM 0 HA PHE A 19 3.086 -3.147 14.678 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.816 -5.092 15.280 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.843 -3.417 15.796 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.848 -5.582 12.770 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.131 -1.695 14.347 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.158 -4.904 10.635 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.876 -1.013 12.214 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.021 -2.617 10.353 1.00 0.00 H new ATOM 299 N GLN A 20 3.244 -3.337 17.237 1.00 0.00 N ATOM 300 CA GLN A 20 3.680 -3.395 18.639 1.00 0.00 C ATOM 301 C GLN A 20 5.211 -3.354 18.740 1.00 0.00 C ATOM 302 O GLN A 20 5.763 -2.748 19.660 1.00 0.00 O ATOM 303 CB GLN A 20 3.097 -4.631 19.353 1.00 0.00 C ATOM 304 CG GLN A 20 3.174 -4.586 20.876 1.00 0.00 C ATOM 305 CD GLN A 20 4.531 -4.982 21.428 1.00 0.00 C ATOM 306 OE1 GLN A 20 5.243 -5.798 20.845 1.00 0.00 O ATOM 307 NE2 GLN A 20 4.896 -4.407 22.562 1.00 0.00 N ATOM 0 H GLN A 20 2.940 -2.408 16.947 1.00 0.00 H new ATOM 0 HA GLN A 20 3.293 -2.513 19.149 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.053 -4.744 19.059 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.625 -5.518 19.003 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.934 -3.578 21.214 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.415 -5.250 21.290 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.277 -3.735 23.015 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.796 -4.636 22.983 1.00 0.00 H new ATOM 316 N GLY A 21 5.895 -3.973 17.786 1.00 0.00 N ATOM 317 CA GLY A 21 7.347 -3.977 17.804 1.00 0.00 C ATOM 318 C GLY A 21 7.949 -3.791 16.426 1.00 0.00 C ATOM 319 O GLY A 21 8.882 -4.498 16.051 1.00 0.00 O ATOM 0 H GLY A 21 5.473 -4.471 17.002 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.700 -3.182 18.461 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.699 -4.919 18.226 1.00 0.00 H new ATOM 323 N MET A 22 7.419 -2.837 15.667 1.00 0.00 N ATOM 324 CA MET A 22 7.904 -2.587 14.311 1.00 0.00 C ATOM 325 C MET A 22 9.073 -1.606 14.299 1.00 0.00 C ATOM 326 O MET A 22 9.892 -1.618 13.379 1.00 0.00 O ATOM 327 CB MET A 22 6.779 -2.072 13.414 1.00 0.00 C ATOM 328 CG MET A 22 6.132 -0.783 13.890 1.00 0.00 C ATOM 329 SD MET A 22 5.063 -0.052 12.631 1.00 0.00 S ATOM 330 CE MET A 22 4.010 -1.446 12.225 1.00 0.00 C ATOM 0 H MET A 22 6.658 -2.227 15.964 1.00 0.00 H new ATOM 0 HA MET A 22 8.260 -3.540 13.919 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.175 -1.916 12.410 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.011 -2.842 13.338 1.00 0.00 H new ATOM 0 HG2 MET A 22 5.549 -0.982 14.789 1.00 0.00 H new ATOM 0 HG3 MET A 22 6.908 -0.069 14.165 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.177 -1.106 11.610 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.587 -2.190 11.675 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.626 -1.891 13.143 1.00 0.00 H new ATOM 340 N THR A 23 9.143 -0.779 15.339 1.00 0.00 N ATOM 341 CA THR A 23 10.206 0.216 15.525 1.00 0.00 C ATOM 342 C THR A 23 10.458 1.102 14.294 1.00 0.00 C ATOM 343 O THR A 23 9.771 2.102 14.095 1.00 0.00 O ATOM 344 CB THR A 23 11.533 -0.427 15.996 1.00 0.00 C ATOM 345 OG1 THR A 23 11.937 -1.485 15.110 1.00 0.00 O ATOM 346 CG2 THR A 23 11.400 -0.975 17.408 1.00 0.00 C ATOM 0 H THR A 23 8.453 -0.778 16.091 1.00 0.00 H new ATOM 0 HA THR A 23 9.831 0.869 16.313 1.00 0.00 H new ATOM 0 HB THR A 23 12.294 0.353 15.987 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.778 -1.874 15.428 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.346 -1.421 17.716 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.142 -0.165 18.090 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.616 -1.732 17.432 1.00 0.00 H new ATOM 354 N ASP A 24 11.432 0.726 13.467 1.00 0.00 N ATOM 355 CA ASP A 24 11.901 1.602 12.393 1.00 0.00 C ATOM 356 C ASP A 24 11.670 1.007 11.007 1.00 0.00 C ATOM 357 O ASP A 24 10.906 1.547 10.211 1.00 0.00 O ATOM 358 CB ASP A 24 13.401 1.890 12.549 1.00 0.00 C ATOM 359 CG ASP A 24 13.744 2.667 13.804 1.00 0.00 C ATOM 360 OD1 ASP A 24 13.917 2.039 14.870 1.00 0.00 O ATOM 361 OD2 ASP A 24 13.877 3.907 13.727 1.00 0.00 O ATOM 0 H ASP A 24 11.910 -0.174 13.519 1.00 0.00 H new ATOM 0 HA ASP A 24 11.321 2.521 12.476 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.945 0.945 12.557 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.747 2.449 11.680 1.00 0.00 H new ATOM 366 N THR A 25 12.343 -0.109 10.735 1.00 0.00 N ATOM 367 CA THR A 25 12.431 -0.680 9.388 1.00 0.00 C ATOM 368 C THR A 25 11.062 -0.907 8.733 1.00 0.00 C ATOM 369 O THR A 25 10.926 -0.763 7.518 1.00 0.00 O ATOM 370 CB THR A 25 13.207 -2.009 9.429 1.00 0.00 C ATOM 371 OG1 THR A 25 14.366 -1.856 10.261 1.00 0.00 O ATOM 372 CG2 THR A 25 13.636 -2.437 8.032 1.00 0.00 C ATOM 0 H THR A 25 12.845 -0.646 11.442 1.00 0.00 H new ATOM 0 HA THR A 25 12.959 0.052 8.777 1.00 0.00 H new ATOM 0 HB THR A 25 12.552 -2.779 9.836 1.00 0.00 H new ATOM 0 HG1 THR A 25 14.861 -2.701 10.291 1.00 0.00 H new ATOM 0 HG21 THR A 25 14.182 -3.379 8.092 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.754 -2.568 7.405 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.279 -1.671 7.598 1.00 0.00 H new ATOM 380 N ALA A 26 10.053 -1.231 9.539 1.00 0.00 N ATOM 381 CA ALA A 26 8.714 -1.520 9.021 1.00 0.00 C ATOM 382 C ALA A 26 8.126 -0.330 8.266 1.00 0.00 C ATOM 383 O ALA A 26 7.270 -0.496 7.395 1.00 0.00 O ATOM 384 CB ALA A 26 7.786 -1.921 10.151 1.00 0.00 C ATOM 0 H ALA A 26 10.135 -1.300 10.553 1.00 0.00 H new ATOM 0 HA ALA A 26 8.810 -2.348 8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.795 -2.133 9.750 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.176 -2.812 10.643 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.719 -1.107 10.873 1.00 0.00 H new ATOM 390 N ALA A 27 8.592 0.870 8.603 1.00 0.00 N ATOM 391 CA ALA A 27 8.132 2.085 7.944 1.00 0.00 C ATOM 392 C ALA A 27 8.509 2.082 6.467 1.00 0.00 C ATOM 393 O ALA A 27 7.835 2.699 5.644 1.00 0.00 O ATOM 394 CB ALA A 27 8.704 3.313 8.635 1.00 0.00 C ATOM 0 H ALA A 27 9.290 1.025 9.331 1.00 0.00 H new ATOM 0 HA ALA A 27 7.045 2.118 8.016 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.351 4.212 8.130 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.379 3.329 9.675 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.793 3.279 8.595 1.00 0.00 H new ATOM 400 N GLU A 28 9.587 1.382 6.138 1.00 0.00 N ATOM 401 CA GLU A 28 10.070 1.325 4.770 1.00 0.00 C ATOM 402 C GLU A 28 9.326 0.240 3.991 1.00 0.00 C ATOM 403 O GLU A 28 8.996 0.424 2.818 1.00 0.00 O ATOM 404 CB GLU A 28 11.574 1.057 4.756 1.00 0.00 C ATOM 405 CG GLU A 28 12.276 1.620 3.533 1.00 0.00 C ATOM 406 CD GLU A 28 12.116 3.122 3.420 1.00 0.00 C ATOM 407 OE1 GLU A 28 12.394 3.834 4.410 1.00 0.00 O ATOM 408 OE2 GLU A 28 11.697 3.599 2.350 1.00 0.00 O ATOM 0 H GLU A 28 10.143 0.845 6.804 1.00 0.00 H new ATOM 0 HA GLU A 28 9.883 2.285 4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.021 1.488 5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.744 -0.019 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.336 1.372 3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.876 1.146 2.637 1.00 0.00 H new ATOM 415 N ASP A 29 9.056 -0.882 4.654 1.00 0.00 N ATOM 416 CA ASP A 29 8.286 -1.969 4.047 1.00 0.00 C ATOM 417 C ASP A 29 6.878 -1.491 3.710 1.00 0.00 C ATOM 418 O ASP A 29 6.375 -1.730 2.611 1.00 0.00 O ATOM 419 CB ASP A 29 8.205 -3.180 4.990 1.00 0.00 C ATOM 420 CG ASP A 29 9.538 -3.881 5.189 1.00 0.00 C ATOM 421 OD1 ASP A 29 9.915 -4.712 4.336 1.00 0.00 O ATOM 422 OD2 ASP A 29 10.215 -3.603 6.206 1.00 0.00 O ATOM 0 H ASP A 29 9.358 -1.064 5.611 1.00 0.00 H new ATOM 0 HA ASP A 29 8.796 -2.273 3.133 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.827 -2.852 5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.484 -3.894 4.592 1.00 0.00 H new ATOM 427 N VAL A 30 6.249 -0.797 4.656 1.00 0.00 N ATOM 428 CA VAL A 30 4.903 -0.275 4.445 1.00 0.00 C ATOM 429 C VAL A 30 4.920 0.867 3.434 1.00 0.00 C ATOM 430 O VAL A 30 3.955 1.081 2.699 1.00 0.00 O ATOM 431 CB VAL A 30 4.256 0.202 5.770 1.00 0.00 C ATOM 432 CG1 VAL A 30 4.893 1.489 6.279 1.00 0.00 C ATOM 433 CG2 VAL A 30 2.752 0.375 5.610 1.00 0.00 C ATOM 0 H VAL A 30 6.648 -0.585 5.570 1.00 0.00 H new ATOM 0 HA VAL A 30 4.299 -1.092 4.051 1.00 0.00 H new ATOM 0 HB VAL A 30 4.437 -0.573 6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.411 1.790 7.209 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.955 1.323 6.457 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.768 2.276 5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.322 0.710 6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.551 1.116 4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.304 -0.577 5.325 1.00 0.00 H new ATOM 443 N ARG A 31 6.026 1.596 3.395 1.00 0.00 N ATOM 444 CA ARG A 31 6.182 2.681 2.434 1.00 0.00 C ATOM 445 C ARG A 31 6.170 2.122 1.017 1.00 0.00 C ATOM 446 O ARG A 31 5.616 2.730 0.102 1.00 0.00 O ATOM 447 CB ARG A 31 7.485 3.448 2.666 1.00 0.00 C ATOM 448 CG ARG A 31 7.441 4.874 2.138 1.00 0.00 C ATOM 449 CD ARG A 31 8.829 5.494 2.010 1.00 0.00 C ATOM 450 NE ARG A 31 9.682 5.239 3.172 1.00 0.00 N ATOM 451 CZ ARG A 31 9.598 5.883 4.338 1.00 0.00 C ATOM 452 NH1 ARG A 31 8.677 6.825 4.526 1.00 0.00 N ATOM 453 NH2 ARG A 31 10.457 5.591 5.307 1.00 0.00 N ATOM 0 H ARG A 31 6.825 1.458 4.014 1.00 0.00 H new ATOM 0 HA ARG A 31 5.349 3.371 2.569 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.702 3.469 3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.304 2.914 2.185 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.952 4.882 1.164 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.834 5.486 2.805 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.315 5.101 1.117 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.728 6.570 1.870 1.00 0.00 H new ATOM 0 HE ARG A 31 10.394 4.514 3.084 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.028 7.060 3.776 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.621 7.312 5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.173 4.880 5.157 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.401 6.078 6.202 1.00 0.00 H new ATOM 467 N LYS A 32 6.779 0.953 0.850 1.00 0.00 N ATOM 468 CA LYS A 32 6.877 0.313 -0.454 1.00 0.00 C ATOM 469 C LYS A 32 5.507 -0.055 -1.014 1.00 0.00 C ATOM 470 O LYS A 32 5.201 0.276 -2.157 1.00 0.00 O ATOM 471 CB LYS A 32 7.774 -0.925 -0.383 1.00 0.00 C ATOM 472 CG LYS A 32 9.251 -0.602 -0.534 1.00 0.00 C ATOM 473 CD LYS A 32 10.085 -1.859 -0.728 1.00 0.00 C ATOM 474 CE LYS A 32 11.535 -1.521 -1.033 1.00 0.00 C ATOM 475 NZ LYS A 32 12.351 -2.737 -1.280 1.00 0.00 N ATOM 0 H LYS A 32 7.215 0.427 1.608 1.00 0.00 H new ATOM 0 HA LYS A 32 7.326 1.036 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.614 -1.428 0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.480 -1.625 -1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.393 0.064 -1.385 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.599 -0.067 0.350 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.034 -2.473 0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.669 -2.451 -1.543 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.579 -0.871 -1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.960 -0.963 -0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.333 -2.461 -1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.331 -3.346 -0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.962 -3.257 -2.092 1.00 0.00 H new ATOM 489 N ILE A 33 4.676 -0.719 -0.214 1.00 0.00 N ATOM 490 CA ILE A 33 3.353 -1.133 -0.684 1.00 0.00 C ATOM 491 C ILE A 33 2.466 0.079 -0.980 1.00 0.00 C ATOM 492 O ILE A 33 1.649 0.049 -1.900 1.00 0.00 O ATOM 493 CB ILE A 33 2.629 -2.068 0.318 1.00 0.00 C ATOM 494 CG1 ILE A 33 2.515 -1.415 1.699 1.00 0.00 C ATOM 495 CG2 ILE A 33 3.345 -3.410 0.412 1.00 0.00 C ATOM 496 CD1 ILE A 33 1.738 -2.240 2.702 1.00 0.00 C ATOM 0 H ILE A 33 4.889 -0.980 0.749 1.00 0.00 H new ATOM 0 HA ILE A 33 3.523 -1.693 -1.604 1.00 0.00 H new ATOM 0 HB ILE A 33 1.619 -2.242 -0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.517 -1.235 2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.034 -0.442 1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.822 -4.053 1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.357 -3.885 -0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.369 -3.253 0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.700 -1.713 3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.724 -2.399 2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.229 -3.203 2.839 1.00 0.00 H new ATOM 508 N ALA A 34 2.646 1.147 -0.210 1.00 0.00 N ATOM 509 CA ALA A 34 1.865 2.367 -0.392 1.00 0.00 C ATOM 510 C ALA A 34 2.335 3.146 -1.617 1.00 0.00 C ATOM 511 O ALA A 34 1.533 3.733 -2.339 1.00 0.00 O ATOM 512 CB ALA A 34 1.951 3.237 0.851 1.00 0.00 C ATOM 0 H ALA A 34 3.327 1.193 0.548 1.00 0.00 H new ATOM 0 HA ALA A 34 0.826 2.081 -0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.364 4.143 0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.559 2.688 1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.991 3.505 1.037 1.00 0.00 H new ATOM 518 N THR A 35 3.641 3.145 -1.852 1.00 0.00 N ATOM 519 CA THR A 35 4.211 3.866 -2.982 1.00 0.00 C ATOM 520 C THR A 35 3.977 3.103 -4.286 1.00 0.00 C ATOM 521 O THR A 35 3.834 3.707 -5.344 1.00 0.00 O ATOM 522 CB THR A 35 5.726 4.118 -2.788 1.00 0.00 C ATOM 523 OG1 THR A 35 5.951 4.786 -1.538 1.00 0.00 O ATOM 524 CG2 THR A 35 6.296 4.968 -3.918 1.00 0.00 C ATOM 0 H THR A 35 4.324 2.654 -1.276 1.00 0.00 H new ATOM 0 HA THR A 35 3.707 4.831 -3.038 1.00 0.00 H new ATOM 0 HB THR A 35 6.229 3.151 -2.793 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.970 4.126 -0.813 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.362 5.127 -3.752 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.149 4.455 -4.869 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.785 5.931 -3.942 1.00 0.00 H new ATOM 532 N ALA A 36 3.917 1.775 -4.195 1.00 0.00 N ATOM 533 CA ALA A 36 3.757 0.916 -5.368 1.00 0.00 C ATOM 534 C ALA A 36 2.560 1.328 -6.227 1.00 0.00 C ATOM 535 O ALA A 36 2.665 1.402 -7.454 1.00 0.00 O ATOM 536 CB ALA A 36 3.623 -0.539 -4.940 1.00 0.00 C ATOM 0 H ALA A 36 3.977 1.267 -3.313 1.00 0.00 H new ATOM 0 HA ALA A 36 4.651 1.032 -5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.504 -1.168 -5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.517 -0.842 -4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.751 -0.650 -4.295 1.00 0.00 H new ATOM 542 N LEU A 37 1.434 1.611 -5.583 1.00 0.00 N ATOM 543 CA LEU A 37 0.218 1.968 -6.301 1.00 0.00 C ATOM 544 C LEU A 37 0.347 3.336 -6.970 1.00 0.00 C ATOM 545 O LEU A 37 -0.174 3.553 -8.055 1.00 0.00 O ATOM 546 CB LEU A 37 -0.995 1.906 -5.357 1.00 0.00 C ATOM 547 CG LEU A 37 -0.903 2.729 -4.067 1.00 0.00 C ATOM 548 CD1 LEU A 37 -1.391 4.155 -4.291 1.00 0.00 C ATOM 549 CD2 LEU A 37 -1.700 2.060 -2.956 1.00 0.00 C ATOM 0 H LEU A 37 1.338 1.600 -4.568 1.00 0.00 H new ATOM 0 HA LEU A 37 0.062 1.241 -7.098 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.874 2.236 -5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.162 0.864 -5.085 1.00 0.00 H new ATOM 0 HG LEU A 37 0.144 2.776 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.315 4.716 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.778 4.634 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.430 4.137 -4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.626 2.655 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.745 1.982 -3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.300 1.063 -2.771 1.00 0.00 H new ATOM 561 N LEU A 38 1.075 4.241 -6.334 1.00 0.00 N ATOM 562 CA LEU A 38 1.281 5.578 -6.886 1.00 0.00 C ATOM 563 C LEU A 38 2.351 5.540 -7.974 1.00 0.00 C ATOM 564 O LEU A 38 2.378 6.372 -8.879 1.00 0.00 O ATOM 565 CB LEU A 38 1.691 6.546 -5.772 1.00 0.00 C ATOM 566 CG LEU A 38 1.787 8.019 -6.183 1.00 0.00 C ATOM 567 CD1 LEU A 38 0.438 8.526 -6.681 1.00 0.00 C ATOM 568 CD2 LEU A 38 2.273 8.861 -5.013 1.00 0.00 C ATOM 0 H LEU A 38 1.533 4.078 -5.437 1.00 0.00 H new ATOM 0 HA LEU A 38 0.347 5.925 -7.329 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.973 6.460 -4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.658 6.232 -5.379 1.00 0.00 H new ATOM 0 HG LEU A 38 2.506 8.105 -6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.527 9.574 -6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.125 7.939 -7.544 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.303 8.429 -5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.337 9.905 -5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.573 8.768 -4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.257 8.514 -4.699 1.00 0.00 H new ATOM 580 N LYS A 39 3.234 4.564 -7.854 1.00 0.00 N ATOM 581 CA LYS A 39 4.330 4.367 -8.795 1.00 0.00 C ATOM 582 C LYS A 39 3.841 3.774 -10.118 1.00 0.00 C ATOM 583 O LYS A 39 4.344 4.125 -11.186 1.00 0.00 O ATOM 584 CB LYS A 39 5.383 3.451 -8.146 1.00 0.00 C ATOM 585 CG LYS A 39 6.349 2.776 -9.114 1.00 0.00 C ATOM 586 CD LYS A 39 7.235 3.769 -9.849 1.00 0.00 C ATOM 587 CE LYS A 39 8.224 3.043 -10.745 1.00 0.00 C ATOM 588 NZ LYS A 39 9.042 3.975 -11.563 1.00 0.00 N ATOM 0 H LYS A 39 3.213 3.880 -7.097 1.00 0.00 H new ATOM 0 HA LYS A 39 4.773 5.336 -9.026 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.961 4.039 -7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.866 2.678 -7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.976 2.074 -8.564 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.781 2.195 -9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.619 4.440 -10.447 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.773 4.386 -9.130 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.883 2.430 -10.131 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.682 2.366 -11.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.700 3.430 -12.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.418 4.543 -12.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.582 4.605 -10.936 1.00 0.00 H new ATOM 602 N THR A 40 2.859 2.883 -10.054 1.00 0.00 N ATOM 603 CA THR A 40 2.443 2.155 -11.244 1.00 0.00 C ATOM 604 C THR A 40 0.924 2.123 -11.427 1.00 0.00 C ATOM 605 O THR A 40 0.415 2.540 -12.472 1.00 0.00 O ATOM 606 CB THR A 40 2.994 0.715 -11.227 1.00 0.00 C ATOM 607 OG1 THR A 40 2.849 0.146 -9.920 1.00 0.00 O ATOM 608 CG2 THR A 40 4.457 0.684 -11.640 1.00 0.00 C ATOM 0 H THR A 40 2.344 2.650 -9.205 1.00 0.00 H new ATOM 0 HA THR A 40 2.861 2.699 -12.091 1.00 0.00 H new ATOM 0 HB THR A 40 2.421 0.127 -11.944 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.959 0.847 -9.244 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.819 -0.344 -11.619 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.559 1.084 -12.649 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.043 1.289 -10.949 1.00 0.00 H new ATOM 616 N ALA A 41 0.205 1.628 -10.420 1.00 0.00 N ATOM 617 CA ALA A 41 -1.245 1.441 -10.526 1.00 0.00 C ATOM 618 C ALA A 41 -1.998 2.759 -10.351 1.00 0.00 C ATOM 619 O ALA A 41 -2.729 2.956 -9.375 1.00 0.00 O ATOM 620 CB ALA A 41 -1.722 0.414 -9.509 1.00 0.00 C ATOM 0 H ALA A 41 0.601 1.349 -9.522 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.460 1.071 -11.529 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.801 0.286 -9.600 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.226 -0.539 -9.694 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.481 0.759 -8.503 1.00 0.00 H new ATOM 626 N ILE A 42 -1.798 3.659 -11.297 1.00 0.00 N ATOM 627 CA ILE A 42 -2.437 4.959 -11.274 1.00 0.00 C ATOM 628 C ILE A 42 -2.720 5.420 -12.703 1.00 0.00 C ATOM 629 O ILE A 42 -2.050 4.984 -13.645 1.00 0.00 O ATOM 630 CB ILE A 42 -1.545 5.993 -10.542 1.00 0.00 C ATOM 631 CG1 ILE A 42 -2.330 7.263 -10.219 1.00 0.00 C ATOM 632 CG2 ILE A 42 -0.306 6.333 -11.362 1.00 0.00 C ATOM 633 CD1 ILE A 42 -3.444 7.042 -9.222 1.00 0.00 C ATOM 0 H ILE A 42 -1.189 3.508 -12.101 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.379 4.878 -10.732 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.221 5.539 -9.605 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.645 8.015 -9.827 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.751 7.665 -11.140 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.299 7.061 -10.822 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.278 5.428 -11.530 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.609 6.753 -12.321 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.960 7.984 -9.038 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.150 6.313 -9.621 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.027 6.669 -8.287 1.00 0.00 H new ATOM 645 N GLU A 43 -3.717 6.273 -12.876 1.00 0.00 N ATOM 646 CA GLU A 43 -4.043 6.776 -14.199 1.00 0.00 C ATOM 647 C GLU A 43 -3.580 8.216 -14.355 1.00 0.00 C ATOM 648 O GLU A 43 -3.646 9.018 -13.415 1.00 0.00 O ATOM 649 CB GLU A 43 -5.545 6.671 -14.483 1.00 0.00 C ATOM 650 CG GLU A 43 -6.415 7.538 -13.586 1.00 0.00 C ATOM 651 CD GLU A 43 -7.856 7.577 -14.049 1.00 0.00 C ATOM 652 OE1 GLU A 43 -8.179 8.397 -14.929 1.00 0.00 O ATOM 653 OE2 GLU A 43 -8.672 6.772 -13.552 1.00 0.00 O ATOM 0 H GLU A 43 -4.309 6.628 -12.125 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.517 6.156 -14.925 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.726 6.947 -15.522 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.852 5.631 -14.371 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.374 7.158 -12.565 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.015 8.552 -13.565 1.00 0.00 H new ATOM 660 N ILE A 44 -3.089 8.532 -15.538 1.00 0.00 N ATOM 661 CA ILE A 44 -2.672 9.875 -15.859 1.00 0.00 C ATOM 662 C ILE A 44 -3.224 10.301 -17.210 1.00 0.00 C ATOM 663 O ILE A 44 -3.190 9.545 -18.181 1.00 0.00 O ATOM 664 CB ILE A 44 -1.133 10.022 -15.854 1.00 0.00 C ATOM 665 CG1 ILE A 44 -0.425 8.712 -16.237 1.00 0.00 C ATOM 666 CG2 ILE A 44 -0.647 10.515 -14.501 1.00 0.00 C ATOM 667 CD1 ILE A 44 -0.377 8.439 -17.726 1.00 0.00 C ATOM 0 H ILE A 44 -2.970 7.863 -16.299 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.074 10.526 -15.083 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.877 10.762 -16.612 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.594 8.738 -15.852 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.931 7.882 -15.744 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.439 10.612 -14.518 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.095 11.485 -14.285 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.936 9.802 -13.729 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.139 7.496 -17.907 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.392 8.377 -18.118 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.157 9.247 -18.227 1.00 0.00 H new ATOM 679 N VAL A 45 -3.760 11.504 -17.261 1.00 0.00 N ATOM 680 CA VAL A 45 -4.248 12.066 -18.503 1.00 0.00 C ATOM 681 C VAL A 45 -3.282 13.139 -18.975 1.00 0.00 C ATOM 682 O VAL A 45 -2.567 13.730 -18.169 1.00 0.00 O ATOM 683 CB VAL A 45 -5.670 12.654 -18.358 1.00 0.00 C ATOM 684 CG1 VAL A 45 -6.688 11.542 -18.147 1.00 0.00 C ATOM 685 CG2 VAL A 45 -5.733 13.658 -17.214 1.00 0.00 C ATOM 0 H VAL A 45 -3.869 12.114 -16.451 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.309 11.264 -19.239 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.914 13.179 -19.282 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.684 11.974 -18.047 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.670 10.866 -19.002 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.440 10.989 -17.241 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.745 14.056 -17.135 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.463 13.164 -16.281 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.036 14.474 -17.407 1.00 0.00 H new ATOM 772 N HIS A 53 -1.371 15.109 -16.204 1.00 0.00 N ATOM 773 CA HIS A 53 -2.301 15.357 -15.118 1.00 0.00 C ATOM 774 C HIS A 53 -2.636 14.050 -14.413 1.00 0.00 C ATOM 775 O HIS A 53 -3.166 13.121 -15.022 1.00 0.00 O ATOM 776 CB HIS A 53 -3.568 16.013 -15.652 1.00 0.00 C ATOM 777 CG HIS A 53 -3.998 17.183 -14.839 1.00 0.00 C ATOM 778 ND1 HIS A 53 -4.943 17.099 -13.846 1.00 0.00 N ATOM 779 CD2 HIS A 53 -3.579 18.469 -14.854 1.00 0.00 C ATOM 780 CE1 HIS A 53 -5.081 18.278 -13.279 1.00 0.00 C ATOM 781 NE2 HIS A 53 -4.269 19.130 -13.871 1.00 0.00 N ATOM 0 HA HIS A 53 -1.837 16.033 -14.400 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.400 16.333 -16.680 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.371 15.277 -15.674 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.840 18.895 -15.516 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -5.750 18.509 -12.463 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.170 20.118 -13.637 1.00 0.00 H new ATOM 790 N ASN A 54 -2.318 13.986 -13.131 1.00 0.00 N ATOM 791 CA ASN A 54 -2.508 12.763 -12.354 1.00 0.00 C ATOM 792 C ASN A 54 -3.902 12.717 -11.747 1.00 0.00 C ATOM 793 O ASN A 54 -4.404 13.725 -11.253 1.00 0.00 O ATOM 794 CB ASN A 54 -1.450 12.665 -11.245 1.00 0.00 C ATOM 795 CG ASN A 54 -1.620 11.437 -10.362 1.00 0.00 C ATOM 796 OD1 ASN A 54 -2.295 11.482 -9.329 1.00 0.00 O ATOM 797 ND2 ASN A 54 -1.004 10.336 -10.757 1.00 0.00 N ATOM 0 H ASN A 54 -1.926 14.765 -12.602 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.396 11.914 -13.028 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.459 12.645 -11.698 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.499 13.560 -10.625 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.077 9.483 -10.202 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.455 10.339 -11.617 1.00 0.00 H new ATOM 804 N GLN A 55 -4.529 11.553 -11.803 1.00 0.00 N ATOM 805 CA GLN A 55 -5.821 11.361 -11.171 1.00 0.00 C ATOM 806 C GLN A 55 -5.750 10.171 -10.227 1.00 0.00 C ATOM 807 O GLN A 55 -5.606 9.031 -10.666 1.00 0.00 O ATOM 808 CB GLN A 55 -6.919 11.134 -12.218 1.00 0.00 C ATOM 809 CG GLN A 55 -6.761 11.988 -13.465 1.00 0.00 C ATOM 810 CD GLN A 55 -8.057 12.170 -14.227 1.00 0.00 C ATOM 811 OE1 GLN A 55 -8.775 13.146 -14.017 1.00 0.00 O ATOM 812 NE2 GLN A 55 -8.383 11.225 -15.088 1.00 0.00 N ATOM 0 H GLN A 55 -4.163 10.729 -12.280 1.00 0.00 H new ATOM 0 HA GLN A 55 -6.071 12.262 -10.610 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.922 10.083 -12.506 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.889 11.343 -11.766 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.372 12.966 -13.182 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.022 11.529 -14.121 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.760 10.431 -15.234 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.258 11.289 -15.608 1.00 0.00 H new ATOM 821 N CYS A 56 -5.816 10.440 -8.931 1.00 0.00 N ATOM 822 CA CYS A 56 -5.776 9.375 -7.945 1.00 0.00 C ATOM 823 C CYS A 56 -7.052 8.544 -8.042 1.00 0.00 C ATOM 824 O CYS A 56 -8.140 9.003 -7.683 1.00 0.00 O ATOM 825 CB CYS A 56 -5.577 9.954 -6.545 1.00 0.00 C ATOM 826 SG CYS A 56 -4.029 10.874 -6.363 1.00 0.00 S ATOM 0 H CYS A 56 -5.897 11.379 -8.542 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.929 8.719 -8.145 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.413 10.613 -6.310 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.597 9.142 -5.818 1.00 0.00 H new ATOM 0 HG CYS A 56 -3.479 11.034 -7.530 1.00 0.00 H new ATOM 832 N LYS A 57 -6.879 7.303 -8.495 1.00 0.00 N ATOM 833 CA LYS A 57 -7.962 6.472 -9.017 1.00 0.00 C ATOM 834 C LYS A 57 -8.795 5.840 -7.902 1.00 0.00 C ATOM 835 O LYS A 57 -9.243 4.701 -8.016 1.00 0.00 O ATOM 836 CB LYS A 57 -7.335 5.387 -9.901 1.00 0.00 C ATOM 837 CG LYS A 57 -8.274 4.794 -10.940 1.00 0.00 C ATOM 838 CD LYS A 57 -7.506 3.961 -11.962 1.00 0.00 C ATOM 839 CE LYS A 57 -7.033 2.634 -11.390 1.00 0.00 C ATOM 840 NZ LYS A 57 -8.148 1.654 -11.262 1.00 0.00 N ATOM 0 H LYS A 57 -5.970 6.841 -8.510 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.645 7.096 -9.593 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.469 5.809 -10.412 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.968 4.584 -9.262 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.021 4.172 -10.447 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.811 5.595 -11.449 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.143 3.775 -12.827 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.645 4.528 -12.316 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.256 2.218 -12.032 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.582 2.801 -10.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.798 0.787 -10.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.908 2.066 -10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.518 1.423 -12.206 1.00 0.00 H new ATOM 854 N LEU A 58 -9.025 6.592 -6.838 1.00 0.00 N ATOM 855 CA LEU A 58 -9.804 6.091 -5.717 1.00 0.00 C ATOM 856 C LEU A 58 -10.400 7.238 -4.905 1.00 0.00 C ATOM 857 O LEU A 58 -10.896 7.032 -3.798 1.00 0.00 O ATOM 858 CB LEU A 58 -8.920 5.227 -4.818 1.00 0.00 C ATOM 859 CG LEU A 58 -9.623 4.030 -4.175 1.00 0.00 C ATOM 860 CD1 LEU A 58 -10.052 3.044 -5.247 1.00 0.00 C ATOM 861 CD2 LEU A 58 -8.715 3.352 -3.158 1.00 0.00 C ATOM 0 H LEU A 58 -8.685 7.547 -6.727 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.623 5.490 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.078 4.862 -5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.509 5.855 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.509 4.388 -3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.552 2.195 -4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.738 3.534 -5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.175 2.695 -5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.236 2.504 -2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.810 3.002 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.448 4.064 -2.377 1.00 0.00 H new ATOM 873 N CYS A 59 -10.369 8.442 -5.461 1.00 0.00 N ATOM 874 CA CYS A 59 -10.842 9.618 -4.731 1.00 0.00 C ATOM 875 C CYS A 59 -11.358 10.702 -5.670 1.00 0.00 C ATOM 876 O CYS A 59 -12.254 11.467 -5.313 1.00 0.00 O ATOM 877 CB CYS A 59 -9.727 10.177 -3.847 1.00 0.00 C ATOM 878 SG CYS A 59 -8.213 10.594 -4.742 1.00 0.00 S ATOM 0 H CYS A 59 -10.027 8.632 -6.403 1.00 0.00 H new ATOM 0 HA CYS A 59 -11.675 9.300 -4.105 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.094 11.069 -3.339 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.490 9.446 -3.074 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.245 10.053 -5.924 1.00 0.00 H new ATOM 884 N GLY A 60 -10.785 10.780 -6.864 1.00 0.00 N ATOM 885 CA GLY A 60 -11.231 11.763 -7.827 1.00 0.00 C ATOM 886 C GLY A 60 -10.459 13.066 -7.751 1.00 0.00 C ATOM 887 O GLY A 60 -10.777 14.014 -8.467 1.00 0.00 O ATOM 0 H GLY A 60 -10.022 10.182 -7.180 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.134 11.349 -8.831 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.290 11.965 -7.666 1.00 0.00 H new ATOM 891 N ALA A 61 -9.459 13.125 -6.878 1.00 0.00 N ATOM 892 CA ALA A 61 -8.628 14.316 -6.758 1.00 0.00 C ATOM 893 C ALA A 61 -7.618 14.371 -7.898 1.00 0.00 C ATOM 894 O ALA A 61 -7.021 13.350 -8.254 1.00 0.00 O ATOM 895 CB ALA A 61 -7.912 14.335 -5.412 1.00 0.00 C ATOM 0 H ALA A 61 -9.206 12.365 -6.246 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.270 15.195 -6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.296 15.231 -5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.648 14.335 -4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.279 13.452 -5.324 1.00 0.00 H new ATOM 901 N SER A 62 -7.429 15.555 -8.469 1.00 0.00 N ATOM 902 CA SER A 62 -6.503 15.713 -9.574 1.00 0.00 C ATOM 903 C SER A 62 -5.182 16.288 -9.077 1.00 0.00 C ATOM 904 O SER A 62 -5.136 17.352 -8.465 1.00 0.00 O ATOM 905 CB SER A 62 -7.111 16.599 -10.668 1.00 0.00 C ATOM 906 OG SER A 62 -7.500 17.866 -10.168 1.00 0.00 O ATOM 0 H SER A 62 -7.903 16.412 -8.184 1.00 0.00 H new ATOM 0 HA SER A 62 -6.308 14.732 -10.008 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.386 16.733 -11.471 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.977 16.098 -11.101 1.00 0.00 H new ATOM 0 HG SER A 62 -6.810 18.204 -9.560 1.00 0.00 H new ATOM 912 N VAL A 63 -4.114 15.572 -9.358 1.00 0.00 N ATOM 913 CA VAL A 63 -2.798 15.910 -8.852 1.00 0.00 C ATOM 914 C VAL A 63 -1.928 16.486 -9.965 1.00 0.00 C ATOM 915 O VAL A 63 -2.045 16.075 -11.120 1.00 0.00 O ATOM 916 CB VAL A 63 -2.126 14.650 -8.243 1.00 0.00 C ATOM 917 CG1 VAL A 63 -0.713 14.931 -7.751 1.00 0.00 C ATOM 918 CG2 VAL A 63 -2.980 14.099 -7.112 1.00 0.00 C ATOM 0 H VAL A 63 -4.132 14.738 -9.944 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.906 16.666 -8.074 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.048 13.906 -9.035 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.285 14.019 -7.334 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.099 15.272 -8.584 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.742 15.703 -6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.500 13.215 -6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.089 14.857 -6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.964 13.829 -7.497 1.00 0.00 H new ATOM 928 N PRO A 64 -1.071 17.473 -9.631 1.00 0.00 N ATOM 929 CA PRO A 64 -0.069 18.048 -10.557 1.00 0.00 C ATOM 930 C PRO A 64 0.901 17.019 -11.166 1.00 0.00 C ATOM 931 O PRO A 64 1.888 17.406 -11.783 1.00 0.00 O ATOM 932 CB PRO A 64 0.700 19.029 -9.671 1.00 0.00 C ATOM 933 CG PRO A 64 -0.265 19.408 -8.606 1.00 0.00 C ATOM 934 CD PRO A 64 -1.061 18.167 -8.328 1.00 0.00 C ATOM 0 HA PRO A 64 -0.558 18.493 -11.424 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.593 18.567 -9.250 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.028 19.901 -10.237 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.253 19.751 -7.710 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.910 20.223 -8.933 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.599 17.558 -7.551 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.070 18.403 -7.990 1.00 0.00 H new ATOM 942 N TRP A 65 0.640 15.729 -10.922 1.00 0.00 N ATOM 943 CA TRP A 65 1.360 14.595 -11.533 1.00 0.00 C ATOM 944 C TRP A 65 2.626 14.236 -10.764 1.00 0.00 C ATOM 945 O TRP A 65 2.972 13.061 -10.646 1.00 0.00 O ATOM 946 CB TRP A 65 1.640 14.823 -13.038 1.00 0.00 C ATOM 947 CG TRP A 65 3.088 15.007 -13.423 1.00 0.00 C ATOM 948 CD1 TRP A 65 3.749 16.191 -13.582 1.00 0.00 C ATOM 949 CD2 TRP A 65 4.037 13.973 -13.721 1.00 0.00 C ATOM 950 NE1 TRP A 65 5.052 15.960 -13.942 1.00 0.00 N ATOM 951 CE2 TRP A 65 5.255 14.608 -14.035 1.00 0.00 C ATOM 952 CE3 TRP A 65 3.979 12.577 -13.743 1.00 0.00 C ATOM 953 CZ2 TRP A 65 6.401 13.893 -14.371 1.00 0.00 C ATOM 954 CZ3 TRP A 65 5.117 11.869 -14.077 1.00 0.00 C ATOM 955 CH2 TRP A 65 6.315 12.528 -14.385 1.00 0.00 C ATOM 0 H TRP A 65 -0.095 15.433 -10.279 1.00 0.00 H new ATOM 0 HA TRP A 65 0.696 13.733 -11.465 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.242 13.974 -13.594 1.00 0.00 H new ATOM 0 HB3 TRP A 65 1.084 15.703 -13.361 1.00 0.00 H new ATOM 0 HD1 TRP A 65 3.309 17.168 -13.444 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.756 16.678 -14.113 1.00 0.00 H new ATOM 0 HE3 TRP A 65 3.061 12.061 -13.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 7.325 14.398 -14.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 5.083 10.790 -14.101 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.189 11.946 -14.639 1.00 0.00 H new ATOM 966 N LEU A 66 3.300 15.233 -10.225 1.00 0.00 N ATOM 967 CA LEU A 66 4.529 14.998 -9.486 1.00 0.00 C ATOM 968 C LEU A 66 4.232 14.452 -8.085 1.00 0.00 C ATOM 969 O LEU A 66 4.222 15.200 -7.108 1.00 0.00 O ATOM 970 CB LEU A 66 5.346 16.289 -9.404 1.00 0.00 C ATOM 971 CG LEU A 66 6.755 16.135 -8.828 1.00 0.00 C ATOM 972 CD1 LEU A 66 7.581 15.183 -9.678 1.00 0.00 C ATOM 973 CD2 LEU A 66 7.440 17.490 -8.732 1.00 0.00 C ATOM 0 H LEU A 66 3.020 16.212 -10.284 1.00 0.00 H new ATOM 0 HA LEU A 66 5.114 14.247 -10.017 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.425 16.714 -10.405 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.799 17.008 -8.794 1.00 0.00 H new ATOM 0 HG LEU A 66 6.672 15.715 -7.825 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.579 15.087 -9.251 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.101 14.205 -9.700 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.656 15.573 -10.693 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.441 17.363 -8.320 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.509 17.934 -9.725 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.861 18.145 -8.082 1.00 0.00 H new ATOM 985 N GLN A 67 3.942 13.147 -8.023 1.00 0.00 N ATOM 986 CA GLN A 67 3.703 12.433 -6.764 1.00 0.00 C ATOM 987 C GLN A 67 2.498 12.993 -6.003 1.00 0.00 C ATOM 988 O GLN A 67 1.364 12.527 -6.168 1.00 0.00 O ATOM 989 CB GLN A 67 4.952 12.466 -5.874 1.00 0.00 C ATOM 990 CG GLN A 67 6.101 11.607 -6.383 1.00 0.00 C ATOM 991 CD GLN A 67 5.833 10.120 -6.230 1.00 0.00 C ATOM 992 OE1 GLN A 67 6.159 9.526 -5.201 1.00 0.00 O ATOM 993 NE2 GLN A 67 5.244 9.507 -7.245 1.00 0.00 N ATOM 0 H GLN A 67 3.866 12.554 -8.849 1.00 0.00 H new ATOM 0 HA GLN A 67 3.478 11.398 -7.023 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.295 13.497 -5.786 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.680 12.133 -4.872 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.281 11.833 -7.434 1.00 0.00 H new ATOM 0 HG3 GLN A 67 7.011 11.866 -5.841 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.989 10.034 -8.080 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.045 8.508 -7.191 1.00 0.00 H new ATOM 1002 N THR A 68 2.752 13.991 -5.176 1.00 0.00 N ATOM 1003 CA THR A 68 1.720 14.604 -4.364 1.00 0.00 C ATOM 1004 C THR A 68 1.303 15.945 -4.962 1.00 0.00 C ATOM 1005 O THR A 68 0.200 16.440 -4.716 1.00 0.00 O ATOM 1006 CB THR A 68 2.235 14.817 -2.922 1.00 0.00 C ATOM 1007 OG1 THR A 68 2.783 13.589 -2.425 1.00 0.00 O ATOM 1008 CG2 THR A 68 1.124 15.292 -1.994 1.00 0.00 C ATOM 0 H THR A 68 3.679 14.398 -5.049 1.00 0.00 H new ATOM 0 HA THR A 68 0.856 13.940 -4.342 1.00 0.00 H new ATOM 0 HB THR A 68 3.004 15.589 -2.948 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.111 13.723 -1.511 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.524 15.431 -0.989 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.724 16.238 -2.359 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.328 14.548 -1.968 1.00 0.00 H new ATOM 1016 N GLY A 69 2.178 16.510 -5.785 1.00 0.00 N ATOM 1017 CA GLY A 69 1.982 17.859 -6.268 1.00 0.00 C ATOM 1018 C GLY A 69 2.429 18.850 -5.223 1.00 0.00 C ATOM 1019 O GLY A 69 3.436 19.538 -5.404 1.00 0.00 O ATOM 0 H GLY A 69 3.024 16.053 -6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.545 18.010 -7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.931 18.019 -6.507 1.00 0.00 H new ATOM 1091 N HIS A 74 -7.678 16.771 0.611 1.00 0.00 N ATOM 1092 CA HIS A 74 -7.606 15.428 1.167 1.00 0.00 C ATOM 1093 C HIS A 74 -8.981 14.799 1.340 1.00 0.00 C ATOM 1094 O HIS A 74 -9.825 15.306 2.078 1.00 0.00 O ATOM 1095 CB HIS A 74 -6.844 15.424 2.510 1.00 0.00 C ATOM 1096 CG HIS A 74 -7.329 16.430 3.524 1.00 0.00 C ATOM 1097 ND1 HIS A 74 -8.182 16.119 4.569 1.00 0.00 N ATOM 1098 CD2 HIS A 74 -7.057 17.752 3.652 1.00 0.00 C ATOM 1099 CE1 HIS A 74 -8.411 17.206 5.285 1.00 0.00 C ATOM 1100 NE2 HIS A 74 -7.742 18.207 4.749 1.00 0.00 N ATOM 0 HA HIS A 74 -7.056 14.821 0.447 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -6.915 14.428 2.947 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.789 15.611 2.312 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -8.573 15.196 4.757 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -6.418 18.339 3.008 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.040 17.264 6.161 1.00 0.00 H new ATOM 1109 N ALA A 75 -9.194 13.696 0.637 1.00 0.00 N ATOM 1110 CA ALA A 75 -10.351 12.849 0.867 1.00 0.00 C ATOM 1111 C ALA A 75 -9.998 11.830 1.942 1.00 0.00 C ATOM 1112 O ALA A 75 -9.350 10.819 1.670 1.00 0.00 O ATOM 1113 CB ALA A 75 -10.785 12.164 -0.421 1.00 0.00 C ATOM 0 H ALA A 75 -8.574 13.366 -0.103 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.192 13.455 1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.653 11.535 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.044 12.918 -1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.969 11.548 -0.798 1.00 0.00 H new ATOM 1119 N ASP A 76 -10.413 12.122 3.164 1.00 0.00 N ATOM 1120 CA ASP A 76 -9.934 11.417 4.350 1.00 0.00 C ATOM 1121 C ASP A 76 -10.292 9.930 4.346 1.00 0.00 C ATOM 1122 O ASP A 76 -9.567 9.114 4.908 1.00 0.00 O ATOM 1123 CB ASP A 76 -10.506 12.081 5.602 1.00 0.00 C ATOM 1124 CG ASP A 76 -10.381 13.589 5.562 1.00 0.00 C ATOM 1125 OD1 ASP A 76 -9.335 14.125 5.980 1.00 0.00 O ATOM 1126 OD2 ASP A 76 -11.336 14.248 5.096 1.00 0.00 O ATOM 0 H ASP A 76 -11.093 12.855 3.366 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.846 11.481 4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.556 11.809 5.707 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.988 11.699 6.482 1.00 0.00 H new ATOM 1131 N ASP A 77 -11.403 9.578 3.713 1.00 0.00 N ATOM 1132 CA ASP A 77 -11.857 8.188 3.704 1.00 0.00 C ATOM 1133 C ASP A 77 -11.094 7.372 2.667 1.00 0.00 C ATOM 1134 O ASP A 77 -10.976 6.151 2.787 1.00 0.00 O ATOM 1135 CB ASP A 77 -13.363 8.106 3.427 1.00 0.00 C ATOM 1136 CG ASP A 77 -13.890 6.681 3.500 1.00 0.00 C ATOM 1137 OD1 ASP A 77 -14.053 6.158 4.624 1.00 0.00 O ATOM 1138 OD2 ASP A 77 -14.149 6.079 2.434 1.00 0.00 O ATOM 0 H ASP A 77 -12.003 10.226 3.203 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.659 7.770 4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.896 8.725 4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.571 8.517 2.439 1.00 0.00 H new ATOM 1143 N CYS A 78 -10.555 8.055 1.667 1.00 0.00 N ATOM 1144 CA CYS A 78 -9.876 7.390 0.569 1.00 0.00 C ATOM 1145 C CYS A 78 -8.450 7.004 0.960 1.00 0.00 C ATOM 1146 O CYS A 78 -7.617 7.865 1.256 1.00 0.00 O ATOM 1147 CB CYS A 78 -9.872 8.295 -0.660 1.00 0.00 C ATOM 1148 SG CYS A 78 -11.522 8.834 -1.163 1.00 0.00 S ATOM 0 H CYS A 78 -10.576 9.072 1.595 1.00 0.00 H new ATOM 0 HA CYS A 78 -10.414 6.472 0.331 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -9.259 9.172 -0.453 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -9.402 7.766 -1.489 1.00 0.00 H new ATOM 0 HG CYS A 78 -11.862 8.225 -2.260 1.00 0.00 H new ATOM 1154 N PRO A 79 -8.151 5.693 0.942 1.00 0.00 N ATOM 1155 CA PRO A 79 -6.859 5.153 1.388 1.00 0.00 C ATOM 1156 C PRO A 79 -5.674 5.690 0.589 1.00 0.00 C ATOM 1157 O PRO A 79 -4.552 5.699 1.079 1.00 0.00 O ATOM 1158 CB PRO A 79 -7.001 3.641 1.172 1.00 0.00 C ATOM 1159 CG PRO A 79 -8.469 3.398 1.113 1.00 0.00 C ATOM 1160 CD PRO A 79 -9.059 4.628 0.489 1.00 0.00 C ATOM 0 HA PRO A 79 -6.651 5.437 2.419 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.511 3.326 0.251 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -6.540 3.081 1.986 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -8.696 2.511 0.521 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -8.878 3.229 2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.087 4.556 -0.598 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.082 4.800 0.823 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.922 6.140 -0.635 1.00 0.00 N ATOM 1169 CA VAL A 80 -4.856 6.684 -1.473 1.00 0.00 C ATOM 1170 C VAL A 80 -4.336 7.999 -0.897 1.00 0.00 C ATOM 1171 O VAL A 80 -3.142 8.293 -0.968 1.00 0.00 O ATOM 1172 CB VAL A 80 -5.328 6.896 -2.929 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -4.233 7.539 -3.773 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -5.755 5.571 -3.540 1.00 0.00 C ATOM 0 H VAL A 80 -6.845 6.140 -1.069 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.046 5.954 -1.483 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.183 7.572 -2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.593 7.676 -4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.968 8.507 -3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.355 6.894 -3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.086 5.733 -4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.912 4.880 -3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.574 5.149 -2.957 1.00 0.00 H new ATOM 1184 N VAL A 81 -5.231 8.775 -0.302 1.00 0.00 N ATOM 1185 CA VAL A 81 -4.846 10.030 0.324 1.00 0.00 C ATOM 1186 C VAL A 81 -4.100 9.745 1.625 1.00 0.00 C ATOM 1187 O VAL A 81 -3.144 10.438 1.977 1.00 0.00 O ATOM 1188 CB VAL A 81 -6.073 10.923 0.606 1.00 0.00 C ATOM 1189 CG1 VAL A 81 -5.652 12.238 1.245 1.00 0.00 C ATOM 1190 CG2 VAL A 81 -6.857 11.178 -0.677 1.00 0.00 C ATOM 0 H VAL A 81 -6.226 8.558 -0.240 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.195 10.567 -0.365 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.721 10.397 1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.534 12.850 1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.141 12.038 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.979 12.770 0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.718 11.809 -0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.215 11.679 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.199 10.229 -1.089 1.00 0.00 H new ATOM 1200 N ILE A 82 -4.539 8.705 2.324 1.00 0.00 N ATOM 1201 CA ILE A 82 -3.869 8.262 3.539 1.00 0.00 C ATOM 1202 C ILE A 82 -2.472 7.744 3.204 1.00 0.00 C ATOM 1203 O ILE A 82 -1.489 8.132 3.832 1.00 0.00 O ATOM 1204 CB ILE A 82 -4.670 7.147 4.254 1.00 0.00 C ATOM 1205 CG1 ILE A 82 -6.098 7.613 4.554 1.00 0.00 C ATOM 1206 CG2 ILE A 82 -3.969 6.726 5.540 1.00 0.00 C ATOM 1207 CD1 ILE A 82 -6.172 8.780 5.519 1.00 0.00 C ATOM 0 H ILE A 82 -5.358 8.152 2.069 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.798 9.118 4.210 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.722 6.285 3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.582 7.896 3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.664 6.777 4.965 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.546 5.941 6.029 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.973 6.351 5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.886 7.584 6.207 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.215 9.052 5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.719 8.496 6.469 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.635 9.632 5.101 1.00 0.00 H new ATOM 1219 N ALA A 83 -2.401 6.895 2.180 1.00 0.00 N ATOM 1220 CA ALA A 83 -1.149 6.275 1.756 1.00 0.00 C ATOM 1221 C ALA A 83 -0.067 7.314 1.480 1.00 0.00 C ATOM 1222 O ALA A 83 1.079 7.136 1.884 1.00 0.00 O ATOM 1223 CB ALA A 83 -1.375 5.406 0.523 1.00 0.00 C ATOM 0 H ALA A 83 -3.209 6.619 1.622 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.801 5.646 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.432 4.951 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.096 4.623 0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.759 6.022 -0.291 1.00 0.00 H new ATOM 1229 N LYS A 84 -0.433 8.403 0.808 1.00 0.00 N ATOM 1230 CA LYS A 84 0.527 9.458 0.498 1.00 0.00 C ATOM 1231 C LYS A 84 1.073 10.083 1.776 1.00 0.00 C ATOM 1232 O LYS A 84 2.278 10.297 1.909 1.00 0.00 O ATOM 1233 CB LYS A 84 -0.106 10.531 -0.381 1.00 0.00 C ATOM 1234 CG LYS A 84 -0.457 10.040 -1.771 1.00 0.00 C ATOM 1235 CD LYS A 84 -0.793 11.193 -2.697 1.00 0.00 C ATOM 1236 CE LYS A 84 -1.060 10.707 -4.113 1.00 0.00 C ATOM 1237 NZ LYS A 84 -1.195 11.835 -5.074 1.00 0.00 N ATOM 0 H LYS A 84 -1.380 8.577 0.470 1.00 0.00 H new ATOM 0 HA LYS A 84 1.353 9.006 -0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.009 10.902 0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.580 11.374 -0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.380 9.474 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.305 9.358 -1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.669 11.721 -2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.030 11.907 -2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.247 10.055 -4.432 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.971 10.109 -4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.972 11.636 -5.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.399 12.712 -4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.308 11.946 -5.606 1.00 0.00 H new ATOM 1251 N GLN A 85 0.179 10.362 2.716 1.00 0.00 N ATOM 1252 CA GLN A 85 0.563 10.883 4.015 1.00 0.00 C ATOM 1253 C GLN A 85 1.505 9.909 4.727 1.00 0.00 C ATOM 1254 O GLN A 85 2.491 10.314 5.346 1.00 0.00 O ATOM 1255 CB GLN A 85 -0.692 11.130 4.855 1.00 0.00 C ATOM 1256 CG GLN A 85 -1.605 12.207 4.286 1.00 0.00 C ATOM 1257 CD GLN A 85 -2.900 12.342 5.060 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -3.901 11.579 4.661 1.00 0.00 O flip ATOM 1259 NE2 GLN A 85 -3.001 13.127 6.002 1.00 0.00 N flip ATOM 0 H GLN A 85 -0.826 10.233 2.598 1.00 0.00 H new ATOM 0 HA GLN A 85 1.094 11.826 3.880 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.252 10.198 4.939 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.393 11.415 5.864 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.081 13.163 4.292 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.831 11.974 3.245 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.202 13.698 6.278 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.883 13.206 6.507 1.00 0.00 H new ATOM 1268 N ILE A 86 1.203 8.622 4.606 1.00 0.00 N ATOM 1269 CA ILE A 86 2.010 7.568 5.210 1.00 0.00 C ATOM 1270 C ILE A 86 3.394 7.479 4.558 1.00 0.00 C ATOM 1271 O ILE A 86 4.415 7.499 5.248 1.00 0.00 O ATOM 1272 CB ILE A 86 1.299 6.200 5.093 1.00 0.00 C ATOM 1273 CG1 ILE A 86 -0.021 6.221 5.869 1.00 0.00 C ATOM 1274 CG2 ILE A 86 2.195 5.074 5.594 1.00 0.00 C ATOM 1275 CD1 ILE A 86 -0.836 4.953 5.724 1.00 0.00 C ATOM 0 H ILE A 86 0.394 8.280 4.088 1.00 0.00 H new ATOM 0 HA ILE A 86 2.137 7.821 6.263 1.00 0.00 H new ATOM 0 HB ILE A 86 1.084 6.016 4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.192 6.386 6.925 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.618 7.067 5.528 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.671 4.123 5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.109 5.045 5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.447 5.248 6.640 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.756 5.044 6.302 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.081 4.796 4.674 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.258 4.105 6.092 1.00 0.00 H new ATOM 1287 N LEU A 87 3.425 7.406 3.228 1.00 0.00 N ATOM 1288 CA LEU A 87 4.685 7.237 2.506 1.00 0.00 C ATOM 1289 C LEU A 87 5.551 8.490 2.582 1.00 0.00 C ATOM 1290 O LEU A 87 6.750 8.435 2.307 1.00 0.00 O ATOM 1291 CB LEU A 87 4.443 6.812 1.043 1.00 0.00 C ATOM 1292 CG LEU A 87 3.511 7.696 0.201 1.00 0.00 C ATOM 1293 CD1 LEU A 87 4.206 8.968 -0.261 1.00 0.00 C ATOM 1294 CD2 LEU A 87 2.986 6.918 -0.993 1.00 0.00 C ATOM 0 H LEU A 87 2.599 7.461 2.632 1.00 0.00 H new ATOM 0 HA LEU A 87 5.233 6.433 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.409 6.765 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.036 5.801 1.048 1.00 0.00 H new ATOM 0 HG LEU A 87 2.673 7.990 0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.514 9.566 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.530 9.542 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.073 8.709 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.327 7.556 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.822 6.592 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.432 6.047 -0.644 1.00 0.00 H new ATOM 1306 N SER A 88 4.943 9.611 2.949 1.00 0.00 N ATOM 1307 CA SER A 88 5.687 10.842 3.163 1.00 0.00 C ATOM 1308 C SER A 88 6.176 10.901 4.609 1.00 0.00 C ATOM 1309 O SER A 88 7.278 11.383 4.885 1.00 0.00 O ATOM 1310 CB SER A 88 4.814 12.059 2.836 1.00 0.00 C ATOM 1311 OG SER A 88 5.581 13.252 2.806 1.00 0.00 O ATOM 0 H SER A 88 3.938 9.691 3.104 1.00 0.00 H new ATOM 0 HA SER A 88 6.550 10.858 2.498 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.329 11.912 1.871 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.023 12.152 3.580 1.00 0.00 H new ATOM 0 HG SER A 88 4.998 14.011 2.594 1.00 0.00 H new ATOM 1317 N SER A 89 5.339 10.399 5.521 1.00 0.00 N ATOM 1318 CA SER A 89 5.684 10.283 6.939 1.00 0.00 C ATOM 1319 C SER A 89 5.860 11.656 7.593 1.00 0.00 C ATOM 1320 O SER A 89 6.517 11.781 8.626 1.00 0.00 O ATOM 1321 CB SER A 89 6.962 9.443 7.102 1.00 0.00 C ATOM 1322 OG SER A 89 6.849 8.197 6.424 1.00 0.00 O ATOM 0 H SER A 89 4.403 10.062 5.296 1.00 0.00 H new ATOM 0 HA SER A 89 4.858 9.783 7.445 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.816 9.996 6.712 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.153 9.268 8.161 1.00 0.00 H new ATOM 0 HG SER A 89 5.924 8.070 6.125 1.00 0.00 H new ATOM 1328 N ARG A 90 5.250 12.680 7.007 1.00 0.00 N ATOM 1329 CA ARG A 90 5.378 14.035 7.528 1.00 0.00 C ATOM 1330 C ARG A 90 4.024 14.699 7.739 1.00 0.00 C ATOM 1331 O ARG A 90 3.437 15.244 6.806 1.00 0.00 O ATOM 1332 CB ARG A 90 6.240 14.893 6.599 1.00 0.00 C ATOM 1333 CG ARG A 90 7.719 14.568 6.677 1.00 0.00 C ATOM 1334 CD ARG A 90 8.262 14.814 8.074 1.00 0.00 C ATOM 1335 NE ARG A 90 9.691 14.525 8.171 1.00 0.00 N ATOM 1336 CZ ARG A 90 10.380 14.537 9.313 1.00 0.00 C ATOM 1337 NH1 ARG A 90 9.784 14.873 10.455 1.00 0.00 N ATOM 1338 NH2 ARG A 90 11.672 14.239 9.307 1.00 0.00 N ATOM 0 H ARG A 90 4.665 12.598 6.175 1.00 0.00 H new ATOM 0 HA ARG A 90 5.865 13.956 8.500 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.900 14.758 5.572 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.093 15.944 6.848 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.880 13.526 6.399 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.267 15.178 5.958 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.084 15.852 8.353 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.719 14.194 8.787 1.00 0.00 H new ATOM 0 HE ARG A 90 10.193 14.300 7.312 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.795 15.123 10.460 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.316 14.880 11.325 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.137 14.001 8.431 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.201 14.247 10.179 1.00 0.00 H new ATOM 1710 N TYR B 18 1.985 6.585 15.864 1.00 0.00 N ATOM 1711 CA TYR B 18 2.102 6.036 14.523 1.00 0.00 C ATOM 1712 C TYR B 18 3.563 6.050 14.095 1.00 0.00 C ATOM 1713 O TYR B 18 4.249 7.058 14.264 1.00 0.00 O ATOM 1714 CB TYR B 18 1.239 6.838 13.543 1.00 0.00 C ATOM 1715 CG TYR B 18 0.859 6.081 12.288 1.00 0.00 C ATOM 1716 CD1 TYR B 18 -0.219 5.204 12.288 1.00 0.00 C ATOM 1717 CD2 TYR B 18 1.572 6.241 11.107 1.00 0.00 C ATOM 1718 CE1 TYR B 18 -0.574 4.505 11.149 1.00 0.00 C ATOM 1719 CE2 TYR B 18 1.221 5.548 9.961 1.00 0.00 C ATOM 1720 CZ TYR B 18 0.148 4.681 9.989 1.00 0.00 C ATOM 1721 OH TYR B 18 -0.197 3.983 8.857 1.00 0.00 O ATOM 0 HA TYR B 18 1.745 5.006 14.521 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.329 7.154 14.053 1.00 0.00 H new ATOM 0 HB3 TYR B 18 1.777 7.743 13.259 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.790 5.066 13.194 1.00 0.00 H new ATOM 0 HD2 TYR B 18 2.414 6.917 11.082 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.413 3.825 11.169 1.00 0.00 H new ATOM 0 HE2 TYR B 18 1.784 5.685 9.050 1.00 0.00 H new ATOM 0 HH TYR B 18 -1.172 3.891 8.814 1.00 0.00 H new ATOM 1731 N PHE B 19 4.030 4.917 13.574 1.00 0.00 N ATOM 1732 CA PHE B 19 5.443 4.726 13.221 1.00 0.00 C ATOM 1733 C PHE B 19 6.325 4.786 14.462 1.00 0.00 C ATOM 1734 O PHE B 19 7.540 4.964 14.375 1.00 0.00 O ATOM 1735 CB PHE B 19 5.909 5.746 12.175 1.00 0.00 C ATOM 1736 CG PHE B 19 5.389 5.471 10.791 1.00 0.00 C ATOM 1737 CD1 PHE B 19 5.187 4.168 10.363 1.00 0.00 C ATOM 1738 CD2 PHE B 19 5.109 6.510 9.920 1.00 0.00 C ATOM 1739 CE1 PHE B 19 4.716 3.905 9.093 1.00 0.00 C ATOM 1740 CE2 PHE B 19 4.639 6.254 8.645 1.00 0.00 C ATOM 1741 CZ PHE B 19 4.443 4.950 8.231 1.00 0.00 C ATOM 0 H PHE B 19 3.444 4.104 13.383 1.00 0.00 H new ATOM 0 HA PHE B 19 5.537 3.734 12.778 1.00 0.00 H new ATOM 0 HB2 PHE B 19 5.589 6.741 12.483 1.00 0.00 H new ATOM 0 HB3 PHE B 19 6.999 5.755 12.149 1.00 0.00 H new ATOM 0 HD1 PHE B 19 5.401 3.348 11.032 1.00 0.00 H new ATOM 0 HD2 PHE B 19 5.259 7.531 10.240 1.00 0.00 H new ATOM 0 HE1 PHE B 19 4.561 2.885 8.773 1.00 0.00 H new ATOM 0 HE2 PHE B 19 4.425 7.072 7.973 1.00 0.00 H new ATOM 0 HZ PHE B 19 4.077 4.748 7.235 1.00 0.00 H new ATOM 1751 N GLN B 20 5.697 4.622 15.617 1.00 0.00 N ATOM 1752 CA GLN B 20 6.411 4.578 16.880 1.00 0.00 C ATOM 1753 C GLN B 20 6.309 3.183 17.479 1.00 0.00 C ATOM 1754 O GLN B 20 7.259 2.681 18.074 1.00 0.00 O ATOM 1755 CB GLN B 20 5.838 5.614 17.852 1.00 0.00 C ATOM 1756 CG GLN B 20 6.581 5.701 19.178 1.00 0.00 C ATOM 1757 CD GLN B 20 8.016 6.163 19.018 1.00 0.00 C ATOM 1758 OE1 GLN B 20 8.297 7.362 19.034 1.00 0.00 O ATOM 1759 NE2 GLN B 20 8.936 5.220 18.895 1.00 0.00 N ATOM 0 H GLN B 20 4.686 4.517 15.703 1.00 0.00 H new ATOM 0 HA GLN B 20 7.460 4.814 16.702 1.00 0.00 H new ATOM 0 HB2 GLN B 20 5.855 6.593 17.374 1.00 0.00 H new ATOM 0 HB3 GLN B 20 4.793 5.373 18.048 1.00 0.00 H new ATOM 0 HG2 GLN B 20 6.054 6.389 19.840 1.00 0.00 H new ATOM 0 HG3 GLN B 20 6.570 4.723 19.660 1.00 0.00 H new ATOM 0 HE21 GLN B 20 8.661 4.238 18.886 1.00 0.00 H new ATOM 0 HE22 GLN B 20 9.920 5.475 18.809 1.00 0.00 H new ATOM 1768 N GLY B 21 5.154 2.556 17.294 1.00 0.00 N ATOM 1769 CA GLY B 21 4.924 1.240 17.852 1.00 0.00 C ATOM 1770 C GLY B 21 3.727 0.560 17.224 1.00 0.00 C ATOM 1771 O GLY B 21 3.786 -0.629 16.914 1.00 0.00 O ATOM 0 H GLY B 21 4.370 2.939 16.765 1.00 0.00 H new ATOM 0 HA2 GLY B 21 5.810 0.623 17.704 1.00 0.00 H new ATOM 0 HA3 GLY B 21 4.770 1.324 18.928 1.00 0.00 H new ATOM 1775 N MET B 22 2.650 1.334 17.028 1.00 0.00 N ATOM 1776 CA MET B 22 1.402 0.844 16.433 1.00 0.00 C ATOM 1777 C MET B 22 0.579 0.045 17.438 1.00 0.00 C ATOM 1778 O MET B 22 1.095 -0.827 18.134 1.00 0.00 O ATOM 1779 CB MET B 22 1.667 0.000 15.186 1.00 0.00 C ATOM 1780 CG MET B 22 1.525 0.752 13.872 1.00 0.00 C ATOM 1781 SD MET B 22 2.643 2.154 13.722 1.00 0.00 S ATOM 1782 CE MET B 22 2.407 2.545 11.988 1.00 0.00 C ATOM 0 H MET B 22 2.622 2.322 17.280 1.00 0.00 H new ATOM 0 HA MET B 22 0.828 1.723 16.138 1.00 0.00 H new ATOM 0 HB2 MET B 22 2.675 -0.410 15.248 1.00 0.00 H new ATOM 0 HB3 MET B 22 0.979 -0.845 15.182 1.00 0.00 H new ATOM 0 HG2 MET B 22 1.706 0.063 13.047 1.00 0.00 H new ATOM 0 HG3 MET B 22 0.498 1.104 13.773 1.00 0.00 H new ATOM 0 HE1 MET B 22 2.504 3.621 11.841 1.00 0.00 H new ATOM 0 HE2 MET B 22 3.160 2.028 11.393 1.00 0.00 H new ATOM 0 HE3 MET B 22 1.413 2.224 11.675 1.00 0.00 H new ATOM 1792 N THR B 23 -0.707 0.359 17.503 1.00 0.00 N ATOM 1793 CA THR B 23 -1.623 -0.320 18.407 1.00 0.00 C ATOM 1794 C THR B 23 -2.725 -1.034 17.611 1.00 0.00 C ATOM 1795 O THR B 23 -2.646 -1.131 16.385 1.00 0.00 O ATOM 1796 CB THR B 23 -2.237 0.682 19.418 1.00 0.00 C ATOM 1797 OG1 THR B 23 -3.065 0.006 20.375 1.00 0.00 O ATOM 1798 CG2 THR B 23 -3.052 1.752 18.704 1.00 0.00 C ATOM 0 H THR B 23 -1.142 1.086 16.935 1.00 0.00 H new ATOM 0 HA THR B 23 -1.064 -1.068 18.970 1.00 0.00 H new ATOM 0 HB THR B 23 -1.410 1.161 19.942 1.00 0.00 H new ATOM 0 HG1 THR B 23 -3.439 0.659 21.003 1.00 0.00 H new ATOM 0 HG21 THR B 23 -3.471 2.441 19.438 1.00 0.00 H new ATOM 0 HG22 THR B 23 -2.409 2.301 18.017 1.00 0.00 H new ATOM 0 HG23 THR B 23 -3.861 1.281 18.146 1.00 0.00 H new ATOM 1806 N ASP B 24 -3.741 -1.520 18.319 1.00 0.00 N ATOM 1807 CA ASP B 24 -4.839 -2.287 17.727 1.00 0.00 C ATOM 1808 C ASP B 24 -5.520 -1.530 16.590 1.00 0.00 C ATOM 1809 O ASP B 24 -5.795 -2.099 15.530 1.00 0.00 O ATOM 1810 CB ASP B 24 -5.869 -2.627 18.809 1.00 0.00 C ATOM 1811 CG ASP B 24 -7.121 -3.275 18.252 1.00 0.00 C ATOM 1812 OD1 ASP B 24 -7.107 -4.501 18.007 1.00 0.00 O ATOM 1813 OD2 ASP B 24 -8.134 -2.563 18.071 1.00 0.00 O ATOM 0 H ASP B 24 -3.828 -1.393 19.327 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.417 -3.201 17.308 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -5.414 -3.297 19.539 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -6.144 -1.716 19.340 1.00 0.00 H new ATOM 1818 N THR B 25 -5.775 -0.247 16.808 1.00 0.00 N ATOM 1819 CA THR B 25 -6.482 0.575 15.835 1.00 0.00 C ATOM 1820 C THR B 25 -5.663 0.757 14.555 1.00 0.00 C ATOM 1821 O THR B 25 -6.212 0.834 13.455 1.00 0.00 O ATOM 1822 CB THR B 25 -6.809 1.952 16.441 1.00 0.00 C ATOM 1823 OG1 THR B 25 -7.378 1.776 17.746 1.00 0.00 O ATOM 1824 CG2 THR B 25 -7.784 2.722 15.562 1.00 0.00 C ATOM 0 H THR B 25 -5.501 0.250 17.656 1.00 0.00 H new ATOM 0 HA THR B 25 -7.408 0.061 15.577 1.00 0.00 H new ATOM 0 HB THR B 25 -5.884 2.525 16.510 1.00 0.00 H new ATOM 0 HG1 THR B 25 -7.585 2.652 18.133 1.00 0.00 H new ATOM 0 HG21 THR B 25 -7.996 3.690 16.015 1.00 0.00 H new ATOM 0 HG22 THR B 25 -7.345 2.872 14.576 1.00 0.00 H new ATOM 0 HG23 THR B 25 -8.711 2.156 15.464 1.00 0.00 H new ATOM 1832 N ALA B 26 -4.342 0.784 14.704 1.00 0.00 N ATOM 1833 CA ALA B 26 -3.446 1.001 13.573 1.00 0.00 C ATOM 1834 C ALA B 26 -3.532 -0.146 12.574 1.00 0.00 C ATOM 1835 O ALA B 26 -3.215 0.016 11.396 1.00 0.00 O ATOM 1836 CB ALA B 26 -2.017 1.175 14.061 1.00 0.00 C ATOM 0 H ALA B 26 -3.868 0.658 15.598 1.00 0.00 H new ATOM 0 HA ALA B 26 -3.758 1.912 13.063 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -1.358 1.336 13.208 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -1.963 2.035 14.729 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -1.704 0.279 14.597 1.00 0.00 H new ATOM 1842 N ALA B 27 -3.978 -1.305 13.049 1.00 0.00 N ATOM 1843 CA ALA B 27 -4.097 -2.482 12.203 1.00 0.00 C ATOM 1844 C ALA B 27 -5.144 -2.278 11.115 1.00 0.00 C ATOM 1845 O ALA B 27 -5.028 -2.828 10.022 1.00 0.00 O ATOM 1846 CB ALA B 27 -4.431 -3.709 13.038 1.00 0.00 C ATOM 0 H ALA B 27 -4.263 -1.452 14.017 1.00 0.00 H new ATOM 0 HA ALA B 27 -3.134 -2.641 11.717 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -4.516 -4.580 12.388 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -3.640 -3.878 13.769 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -5.376 -3.550 13.557 1.00 0.00 H new ATOM 1852 N GLU B 28 -6.157 -1.469 11.404 1.00 0.00 N ATOM 1853 CA GLU B 28 -7.234 -1.247 10.452 1.00 0.00 C ATOM 1854 C GLU B 28 -6.802 -0.264 9.367 1.00 0.00 C ATOM 1855 O GLU B 28 -7.163 -0.419 8.203 1.00 0.00 O ATOM 1856 CB GLU B 28 -8.492 -0.739 11.156 1.00 0.00 C ATOM 1857 CG GLU B 28 -9.705 -0.671 10.240 1.00 0.00 C ATOM 1858 CD GLU B 28 -10.964 -0.228 10.952 1.00 0.00 C ATOM 1859 OE1 GLU B 28 -11.633 -1.082 11.568 1.00 0.00 O ATOM 1860 OE2 GLU B 28 -11.307 0.969 10.871 1.00 0.00 O ATOM 0 H GLU B 28 -6.253 -0.961 12.283 1.00 0.00 H new ATOM 0 HA GLU B 28 -7.467 -2.203 9.983 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -8.718 -1.392 11.999 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -8.297 0.253 11.564 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -9.496 0.018 9.422 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -9.872 -1.652 9.796 1.00 0.00 H new ATOM 1867 N ASP B 29 -6.019 0.734 9.755 1.00 0.00 N ATOM 1868 CA ASP B 29 -5.518 1.729 8.809 1.00 0.00 C ATOM 1869 C ASP B 29 -4.591 1.080 7.785 1.00 0.00 C ATOM 1870 O ASP B 29 -4.811 1.181 6.574 1.00 0.00 O ATOM 1871 CB ASP B 29 -4.775 2.837 9.555 1.00 0.00 C ATOM 1872 CG ASP B 29 -4.069 3.798 8.615 1.00 0.00 C ATOM 1873 OD1 ASP B 29 -4.762 4.494 7.849 1.00 0.00 O ATOM 1874 OD2 ASP B 29 -2.820 3.851 8.652 1.00 0.00 O ATOM 0 H ASP B 29 -5.716 0.878 10.718 1.00 0.00 H new ATOM 0 HA ASP B 29 -6.369 2.161 8.283 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -5.481 3.391 10.173 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -4.044 2.390 10.229 1.00 0.00 H new ATOM 1879 N VAL B 30 -3.586 0.374 8.285 1.00 0.00 N ATOM 1880 CA VAL B 30 -2.601 -0.275 7.426 1.00 0.00 C ATOM 1881 C VAL B 30 -3.247 -1.352 6.550 1.00 0.00 C ATOM 1882 O VAL B 30 -2.848 -1.550 5.401 1.00 0.00 O ATOM 1883 CB VAL B 30 -1.451 -0.885 8.261 1.00 0.00 C ATOM 1884 CG1 VAL B 30 -0.423 -1.572 7.372 1.00 0.00 C ATOM 1885 CG2 VAL B 30 -0.782 0.186 9.112 1.00 0.00 C ATOM 0 H VAL B 30 -3.430 0.235 9.283 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.186 0.492 6.772 1.00 0.00 H new ATOM 0 HB VAL B 30 -1.883 -1.639 8.919 1.00 0.00 H new ATOM 0 HG11 VAL B 30 0.371 -1.990 7.990 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -0.905 -2.372 6.810 1.00 0.00 H new ATOM 0 HG13 VAL B 30 0.001 -0.846 6.678 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.025 -0.262 9.693 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.375 0.963 8.465 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -1.516 0.624 9.788 1.00 0.00 H new ATOM 1895 N ARG B 31 -4.255 -2.046 7.072 1.00 0.00 N ATOM 1896 CA ARG B 31 -4.930 -3.065 6.280 1.00 0.00 C ATOM 1897 C ARG B 31 -5.821 -2.422 5.217 1.00 0.00 C ATOM 1898 O ARG B 31 -6.015 -2.985 4.141 1.00 0.00 O ATOM 1899 CB ARG B 31 -5.747 -4.029 7.155 1.00 0.00 C ATOM 1900 CG ARG B 31 -7.085 -3.483 7.634 1.00 0.00 C ATOM 1901 CD ARG B 31 -7.858 -4.528 8.426 1.00 0.00 C ATOM 1902 NE ARG B 31 -8.100 -5.745 7.647 1.00 0.00 N ATOM 1903 CZ ARG B 31 -8.525 -6.895 8.166 1.00 0.00 C ATOM 1904 NH1 ARG B 31 -8.831 -6.974 9.459 1.00 0.00 N ATOM 1905 NH2 ARG B 31 -8.675 -7.954 7.378 1.00 0.00 N ATOM 0 H ARG B 31 -4.615 -1.925 8.019 1.00 0.00 H new ATOM 0 HA ARG B 31 -4.156 -3.651 5.784 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -5.926 -4.945 6.592 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -5.150 -4.301 8.025 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -6.919 -2.602 8.255 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -7.677 -3.162 6.777 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -7.303 -4.781 9.329 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -8.812 -4.107 8.745 1.00 0.00 H new ATOM 0 HE ARG B 31 -7.932 -5.709 6.642 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -8.740 -6.152 10.056 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -9.156 -7.857 9.853 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -8.465 -7.883 6.382 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -9.000 -8.838 7.769 1.00 0.00 H new ATOM 1919 N LYS B 32 -6.344 -1.233 5.515 1.00 0.00 N ATOM 1920 CA LYS B 32 -7.238 -0.538 4.596 1.00 0.00 C ATOM 1921 C LYS B 32 -6.494 -0.127 3.332 1.00 0.00 C ATOM 1922 O LYS B 32 -6.988 -0.330 2.222 1.00 0.00 O ATOM 1923 CB LYS B 32 -7.874 0.685 5.272 1.00 0.00 C ATOM 1924 CG LYS B 32 -8.858 1.432 4.378 1.00 0.00 C ATOM 1925 CD LYS B 32 -9.659 2.475 5.147 1.00 0.00 C ATOM 1926 CE LYS B 32 -10.625 3.217 4.231 1.00 0.00 C ATOM 1927 NZ LYS B 32 -11.544 4.115 4.987 1.00 0.00 N ATOM 0 H LYS B 32 -6.163 -0.733 6.385 1.00 0.00 H new ATOM 0 HA LYS B 32 -8.037 -1.224 4.316 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -8.390 0.363 6.177 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -7.085 1.370 5.582 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -8.313 1.919 3.569 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -9.542 0.719 3.918 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -10.215 1.991 5.950 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -8.979 3.187 5.615 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -10.058 3.805 3.509 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -11.212 2.495 3.664 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -11.628 5.024 4.489 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -12.482 3.671 5.058 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -11.164 4.277 5.942 1.00 0.00 H new ATOM 1941 N ILE B 33 -5.298 0.429 3.495 1.00 0.00 N ATOM 1942 CA ILE B 33 -4.494 0.832 2.344 1.00 0.00 C ATOM 1943 C ILE B 33 -3.997 -0.390 1.574 1.00 0.00 C ATOM 1944 O ILE B 33 -3.891 -0.360 0.348 1.00 0.00 O ATOM 1945 CB ILE B 33 -3.291 1.717 2.748 1.00 0.00 C ATOM 1946 CG1 ILE B 33 -2.383 0.985 3.740 1.00 0.00 C ATOM 1947 CG2 ILE B 33 -3.779 3.030 3.340 1.00 0.00 C ATOM 1948 CD1 ILE B 33 -1.110 1.731 4.075 1.00 0.00 C ATOM 0 H ILE B 33 -4.867 0.610 4.401 1.00 0.00 H new ATOM 0 HA ILE B 33 -5.145 1.426 1.702 1.00 0.00 H new ATOM 0 HB ILE B 33 -2.708 1.932 1.853 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -2.939 0.804 4.660 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -2.123 0.010 3.328 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -2.923 3.643 3.620 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -4.380 3.561 2.602 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -4.385 2.828 4.223 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -0.522 1.147 4.783 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -0.531 1.889 3.165 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -1.359 2.695 4.518 1.00 0.00 H new ATOM 1960 N ALA B 34 -3.716 -1.471 2.295 1.00 0.00 N ATOM 1961 CA ALA B 34 -3.269 -2.713 1.672 1.00 0.00 C ATOM 1962 C ALA B 34 -4.393 -3.348 0.860 1.00 0.00 C ATOM 1963 O ALA B 34 -4.160 -3.944 -0.189 1.00 0.00 O ATOM 1964 CB ALA B 34 -2.760 -3.683 2.729 1.00 0.00 C ATOM 0 H ALA B 34 -3.790 -1.512 3.311 1.00 0.00 H new ATOM 0 HA ALA B 34 -2.450 -2.479 0.992 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -2.430 -4.604 2.249 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -1.923 -3.233 3.263 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -3.561 -3.907 3.433 1.00 0.00 H new ATOM 1970 N THR B 35 -5.616 -3.204 1.346 1.00 0.00 N ATOM 1971 CA THR B 35 -6.779 -3.723 0.648 1.00 0.00 C ATOM 1972 C THR B 35 -7.136 -2.826 -0.539 1.00 0.00 C ATOM 1973 O THR B 35 -7.641 -3.294 -1.554 1.00 0.00 O ATOM 1974 CB THR B 35 -7.992 -3.849 1.596 1.00 0.00 C ATOM 1975 OG1 THR B 35 -7.617 -4.586 2.769 1.00 0.00 O ATOM 1976 CG2 THR B 35 -9.156 -4.549 0.912 1.00 0.00 C ATOM 0 H THR B 35 -5.828 -2.730 2.224 1.00 0.00 H new ATOM 0 HA THR B 35 -6.528 -4.718 0.280 1.00 0.00 H new ATOM 0 HB THR B 35 -8.309 -2.844 1.873 1.00 0.00 H new ATOM 0 HG1 THR B 35 -7.343 -3.962 3.474 1.00 0.00 H new ATOM 0 HG21 THR B 35 -9.994 -4.622 1.605 1.00 0.00 H new ATOM 0 HG22 THR B 35 -9.459 -3.978 0.035 1.00 0.00 H new ATOM 0 HG23 THR B 35 -8.850 -5.549 0.606 1.00 0.00 H new ATOM 1984 N ALA B 36 -6.844 -1.536 -0.407 1.00 0.00 N ATOM 1985 CA ALA B 36 -7.168 -0.558 -1.441 1.00 0.00 C ATOM 1986 C ALA B 36 -6.443 -0.857 -2.748 1.00 0.00 C ATOM 1987 O ALA B 36 -7.036 -0.767 -3.822 1.00 0.00 O ATOM 1988 CB ALA B 36 -6.829 0.843 -0.965 1.00 0.00 C ATOM 0 H ALA B 36 -6.381 -1.141 0.411 1.00 0.00 H new ATOM 0 HA ALA B 36 -8.239 -0.624 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -7.076 1.562 -1.746 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -7.403 1.071 -0.067 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -5.764 0.903 -0.740 1.00 0.00 H new ATOM 1994 N LEU B 37 -5.168 -1.219 -2.660 1.00 0.00 N ATOM 1995 CA LEU B 37 -4.395 -1.525 -3.853 1.00 0.00 C ATOM 1996 C LEU B 37 -4.907 -2.804 -4.514 1.00 0.00 C ATOM 1997 O LEU B 37 -4.850 -2.952 -5.732 1.00 0.00 O ATOM 1998 CB LEU B 37 -2.897 -1.614 -3.513 1.00 0.00 C ATOM 1999 CG LEU B 37 -2.497 -2.632 -2.439 1.00 0.00 C ATOM 2000 CD1 LEU B 37 -2.270 -4.012 -3.042 1.00 0.00 C ATOM 2001 CD2 LEU B 37 -1.252 -2.159 -1.705 1.00 0.00 C ATOM 0 H LEU B 37 -4.654 -1.307 -1.783 1.00 0.00 H new ATOM 0 HA LEU B 37 -4.521 -0.716 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.354 -1.852 -4.427 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -2.562 -0.628 -3.190 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.318 -2.712 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -1.988 -4.711 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.187 -4.355 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -1.472 -3.959 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -0.978 -2.890 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.432 -2.048 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -1.453 -1.199 -1.229 1.00 0.00 H new ATOM 2013 N LEU B 38 -5.430 -3.714 -3.700 1.00 0.00 N ATOM 2014 CA LEU B 38 -5.991 -4.965 -4.195 1.00 0.00 C ATOM 2015 C LEU B 38 -7.406 -4.752 -4.731 1.00 0.00 C ATOM 2016 O LEU B 38 -7.886 -5.505 -5.576 1.00 0.00 O ATOM 2017 CB LEU B 38 -6.007 -6.004 -3.072 1.00 0.00 C ATOM 2018 CG LEU B 38 -6.378 -7.425 -3.506 1.00 0.00 C ATOM 2019 CD1 LEU B 38 -5.362 -7.972 -4.498 1.00 0.00 C ATOM 2020 CD2 LEU B 38 -6.486 -8.341 -2.298 1.00 0.00 C ATOM 0 H LEU B 38 -5.477 -3.607 -2.687 1.00 0.00 H new ATOM 0 HA LEU B 38 -5.367 -5.325 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -5.021 -6.029 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -6.712 -5.679 -2.307 1.00 0.00 H new ATOM 0 HG LEU B 38 -7.349 -7.385 -3.999 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -5.647 -8.982 -4.791 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.334 -7.332 -5.380 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -4.376 -7.994 -4.034 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -6.750 -9.346 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -5.529 -8.369 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.256 -7.965 -1.624 1.00 0.00 H new ATOM 2032 N LYS B 39 -8.067 -3.727 -4.207 1.00 0.00 N ATOM 2033 CA LYS B 39 -9.439 -3.398 -4.581 1.00 0.00 C ATOM 2034 C LYS B 39 -9.565 -3.178 -6.087 1.00 0.00 C ATOM 2035 O LYS B 39 -10.561 -3.563 -6.700 1.00 0.00 O ATOM 2036 CB LYS B 39 -9.891 -2.147 -3.826 1.00 0.00 C ATOM 2037 CG LYS B 39 -11.391 -1.888 -3.867 1.00 0.00 C ATOM 2038 CD LYS B 39 -12.169 -2.887 -3.018 1.00 0.00 C ATOM 2039 CE LYS B 39 -12.522 -4.149 -3.791 1.00 0.00 C ATOM 2040 NZ LYS B 39 -13.312 -5.100 -2.965 1.00 0.00 N ATOM 0 H LYS B 39 -7.667 -3.099 -3.510 1.00 0.00 H new ATOM 0 HA LYS B 39 -10.080 -4.238 -4.312 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -9.579 -2.235 -2.785 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -9.375 -1.282 -4.242 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -11.594 -0.877 -3.513 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -11.739 -1.941 -4.898 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -11.578 -3.154 -2.142 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -13.084 -2.418 -2.655 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -13.091 -3.882 -4.682 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -11.607 -4.635 -4.130 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -13.533 -5.947 -3.527 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -12.760 -5.374 -2.128 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -14.197 -4.645 -2.662 1.00 0.00 H new ATOM 2054 N THR B 40 -8.556 -2.556 -6.678 1.00 0.00 N ATOM 2055 CA THR B 40 -8.535 -2.364 -8.115 1.00 0.00 C ATOM 2056 C THR B 40 -7.398 -3.179 -8.745 1.00 0.00 C ATOM 2057 O THR B 40 -7.668 -4.187 -9.400 1.00 0.00 O ATOM 2058 CB THR B 40 -8.465 -0.858 -8.497 1.00 0.00 C ATOM 2059 OG1 THR B 40 -8.214 -0.708 -9.899 1.00 0.00 O ATOM 2060 CG2 THR B 40 -7.411 -0.100 -7.698 1.00 0.00 C ATOM 0 H THR B 40 -7.746 -2.178 -6.186 1.00 0.00 H new ATOM 0 HA THR B 40 -9.475 -2.735 -8.523 1.00 0.00 H new ATOM 0 HB THR B 40 -9.435 -0.426 -8.250 1.00 0.00 H new ATOM 0 HG1 THR B 40 -9.066 -0.674 -10.382 1.00 0.00 H new ATOM 0 HG21 THR B 40 -7.405 0.946 -8.005 1.00 0.00 H new ATOM 0 HG22 THR B 40 -7.644 -0.165 -6.635 1.00 0.00 H new ATOM 0 HG23 THR B 40 -6.430 -0.538 -7.882 1.00 0.00 H new ATOM 2068 N ALA B 41 -6.146 -2.753 -8.525 1.00 0.00 N ATOM 2069 CA ALA B 41 -4.942 -3.490 -8.938 1.00 0.00 C ATOM 2070 C ALA B 41 -4.754 -3.586 -10.458 1.00 0.00 C ATOM 2071 O ALA B 41 -3.640 -3.418 -10.960 1.00 0.00 O ATOM 2072 CB ALA B 41 -4.933 -4.884 -8.320 1.00 0.00 C ATOM 0 H ALA B 41 -5.938 -1.875 -8.049 1.00 0.00 H new ATOM 0 HA ALA B 41 -4.098 -2.909 -8.566 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -4.036 -5.416 -8.636 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -4.942 -4.800 -7.233 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -5.815 -5.433 -8.649 1.00 0.00 H new ATOM 2078 N ILE B 42 -5.826 -3.870 -11.181 1.00 0.00 N ATOM 2079 CA ILE B 42 -5.727 -4.175 -12.602 1.00 0.00 C ATOM 2080 C ILE B 42 -6.577 -3.224 -13.444 1.00 0.00 C ATOM 2081 O ILE B 42 -7.798 -3.382 -13.523 1.00 0.00 O ATOM 2082 CB ILE B 42 -6.199 -5.622 -12.895 1.00 0.00 C ATOM 2083 CG1 ILE B 42 -5.735 -6.601 -11.806 1.00 0.00 C ATOM 2084 CG2 ILE B 42 -5.692 -6.080 -14.252 1.00 0.00 C ATOM 2085 CD1 ILE B 42 -4.234 -6.768 -11.722 1.00 0.00 C ATOM 0 H ILE B 42 -6.775 -3.896 -10.808 1.00 0.00 H new ATOM 0 HA ILE B 42 -4.676 -4.060 -12.868 1.00 0.00 H new ATOM 0 HB ILE B 42 -7.289 -5.616 -12.901 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -6.106 -6.256 -10.841 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -6.188 -7.575 -11.992 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -6.032 -7.098 -14.443 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -6.077 -5.417 -15.027 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -4.602 -6.054 -14.261 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -3.990 -7.475 -10.929 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -3.856 -7.144 -12.673 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -3.772 -5.805 -11.504 1.00 0.00 H new ATOM 2097 N GLU B 43 -5.948 -2.232 -14.060 1.00 0.00 N ATOM 2098 CA GLU B 43 -6.645 -1.380 -15.020 1.00 0.00 C ATOM 2099 C GLU B 43 -6.085 -1.620 -16.425 1.00 0.00 C ATOM 2100 O GLU B 43 -5.216 -2.477 -16.611 1.00 0.00 O ATOM 2101 CB GLU B 43 -6.565 0.110 -14.636 1.00 0.00 C ATOM 2102 CG GLU B 43 -5.167 0.701 -14.637 1.00 0.00 C ATOM 2103 CD GLU B 43 -4.341 0.261 -13.450 1.00 0.00 C ATOM 2104 OE1 GLU B 43 -4.375 0.951 -12.416 1.00 0.00 O ATOM 2105 OE2 GLU B 43 -3.648 -0.769 -13.563 1.00 0.00 O ATOM 0 H GLU B 43 -4.966 -1.997 -13.916 1.00 0.00 H new ATOM 0 HA GLU B 43 -7.701 -1.648 -15.007 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -7.185 0.681 -15.327 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -6.996 0.237 -13.643 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -4.656 0.412 -15.556 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -5.238 1.789 -14.641 1.00 0.00 H new ATOM 2112 N ILE B 44 -6.597 -0.903 -17.418 1.00 0.00 N ATOM 2113 CA ILE B 44 -6.197 -1.133 -18.794 1.00 0.00 C ATOM 2114 C ILE B 44 -5.361 0.012 -19.367 1.00 0.00 C ATOM 2115 O ILE B 44 -5.597 1.183 -19.069 1.00 0.00 O ATOM 2116 CB ILE B 44 -7.420 -1.346 -19.706 1.00 0.00 C ATOM 2117 CG1 ILE B 44 -8.376 -0.150 -19.635 1.00 0.00 C ATOM 2118 CG2 ILE B 44 -8.141 -2.635 -19.344 1.00 0.00 C ATOM 2119 CD1 ILE B 44 -9.541 -0.242 -20.599 1.00 0.00 C ATOM 0 H ILE B 44 -7.286 -0.162 -17.294 1.00 0.00 H new ATOM 0 HA ILE B 44 -5.584 -2.034 -18.772 1.00 0.00 H new ATOM 0 HB ILE B 44 -7.064 -1.429 -20.733 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -8.762 -0.065 -18.619 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -7.817 0.763 -19.841 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -9.002 -2.767 -20.000 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -7.461 -3.478 -19.464 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -8.478 -2.585 -18.309 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -10.173 0.639 -20.491 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -9.165 -0.295 -21.621 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -10.125 -1.136 -20.380 1.00 0.00 H new ATOM 2131 N VAL B 45 -4.373 -0.351 -20.176 1.00 0.00 N ATOM 2132 CA VAL B 45 -3.659 0.605 -21.011 1.00 0.00 C ATOM 2133 C VAL B 45 -4.005 0.339 -22.473 1.00 0.00 C ATOM 2134 O VAL B 45 -3.993 -0.810 -22.920 1.00 0.00 O ATOM 2135 CB VAL B 45 -2.127 0.548 -20.810 1.00 0.00 C ATOM 2136 CG1 VAL B 45 -1.745 1.166 -19.475 1.00 0.00 C ATOM 2137 CG2 VAL B 45 -1.610 -0.883 -20.902 1.00 0.00 C ATOM 0 H VAL B 45 -4.046 -1.312 -20.271 1.00 0.00 H new ATOM 0 HA VAL B 45 -3.975 1.606 -20.717 1.00 0.00 H new ATOM 0 HB VAL B 45 -1.662 1.124 -21.610 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -0.663 1.118 -19.348 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -2.068 2.207 -19.450 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -2.230 0.617 -18.668 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -0.530 -0.890 -20.757 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -2.084 -1.491 -20.131 1.00 0.00 H new ATOM 0 HG23 VAL B 45 -1.846 -1.293 -21.884 1.00 0.00 H new ATOM 2147 N SER B 46 -4.339 1.387 -23.204 1.00 0.00 N ATOM 2148 CA SER B 46 -4.862 1.229 -24.550 1.00 0.00 C ATOM 2149 C SER B 46 -3.750 1.179 -25.597 1.00 0.00 C ATOM 2150 O SER B 46 -2.803 1.968 -25.559 1.00 0.00 O ATOM 2151 CB SER B 46 -5.821 2.374 -24.869 1.00 0.00 C ATOM 2152 OG SER B 46 -6.756 2.564 -23.820 1.00 0.00 O ATOM 0 H SER B 46 -4.258 2.354 -22.890 1.00 0.00 H new ATOM 0 HA SER B 46 -5.392 0.277 -24.588 1.00 0.00 H new ATOM 0 HB2 SER B 46 -5.256 3.292 -25.027 1.00 0.00 H new ATOM 0 HB3 SER B 46 -6.350 2.161 -25.798 1.00 0.00 H new ATOM 0 HG SER B 46 -7.357 3.304 -24.048 1.00 0.00 H new ATOM 2158 N GLU B 47 -3.883 0.242 -26.528 1.00 0.00 N ATOM 2159 CA GLU B 47 -2.991 0.150 -27.675 1.00 0.00 C ATOM 2160 C GLU B 47 -3.288 1.291 -28.640 1.00 0.00 C ATOM 2161 O GLU B 47 -4.418 1.783 -28.692 1.00 0.00 O ATOM 2162 CB GLU B 47 -3.182 -1.188 -28.390 1.00 0.00 C ATOM 2163 CG GLU B 47 -2.581 -2.379 -27.662 1.00 0.00 C ATOM 2164 CD GLU B 47 -1.100 -2.538 -27.936 1.00 0.00 C ATOM 2165 OE1 GLU B 47 -0.617 -1.984 -28.946 1.00 0.00 O ATOM 2166 OE2 GLU B 47 -0.420 -3.250 -27.171 1.00 0.00 O ATOM 0 H GLU B 47 -4.610 -0.473 -26.509 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.960 0.220 -27.329 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -4.249 -1.363 -28.529 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.738 -1.122 -29.383 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -2.739 -2.263 -26.590 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -3.103 -3.287 -27.964 1.00 0.00 H new ATOM 2173 N GLU B 48 -2.295 1.703 -29.411 1.00 0.00 N ATOM 2174 CA GLU B 48 -2.479 2.814 -30.332 1.00 0.00 C ATOM 2175 C GLU B 48 -3.168 2.332 -31.603 1.00 0.00 C ATOM 2176 O GLU B 48 -4.005 3.034 -32.177 1.00 0.00 O ATOM 2177 CB GLU B 48 -1.140 3.473 -30.665 1.00 0.00 C ATOM 2178 CG GLU B 48 -1.284 4.867 -31.247 1.00 0.00 C ATOM 2179 CD GLU B 48 0.045 5.495 -31.611 1.00 0.00 C ATOM 2180 OE1 GLU B 48 0.943 5.559 -30.744 1.00 0.00 O ATOM 2181 OE2 GLU B 48 0.196 5.935 -32.770 1.00 0.00 O ATOM 0 H GLU B 48 -1.362 1.290 -29.419 1.00 0.00 H new ATOM 0 HA GLU B 48 -3.111 3.560 -29.851 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -0.534 3.526 -29.760 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -0.600 2.845 -31.374 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -1.914 4.821 -32.136 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -1.796 5.505 -30.526 1.00 0.00 H new ATOM 2188 N ASP B 49 -2.823 1.124 -32.030 1.00 0.00 N ATOM 2189 CA ASP B 49 -3.446 0.520 -33.208 1.00 0.00 C ATOM 2190 C ASP B 49 -4.904 0.168 -32.924 1.00 0.00 C ATOM 2191 O ASP B 49 -5.790 0.468 -33.722 1.00 0.00 O ATOM 2192 CB ASP B 49 -2.680 -0.732 -33.648 1.00 0.00 C ATOM 2193 CG ASP B 49 -3.342 -1.432 -34.821 1.00 0.00 C ATOM 2194 OD1 ASP B 49 -3.237 -0.935 -35.962 1.00 0.00 O ATOM 2195 OD2 ASP B 49 -3.976 -2.487 -34.605 1.00 0.00 O ATOM 0 H ASP B 49 -2.116 0.541 -31.581 1.00 0.00 H new ATOM 0 HA ASP B 49 -3.412 1.250 -34.017 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -1.662 -0.455 -33.921 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -2.608 -1.424 -32.809 1.00 0.00 H new ATOM 2200 N GLY B 50 -5.148 -0.464 -31.784 1.00 0.00 N ATOM 2201 CA GLY B 50 -6.509 -0.809 -31.411 1.00 0.00 C ATOM 2202 C GLY B 50 -6.571 -2.018 -30.502 1.00 0.00 C ATOM 2203 O GLY B 50 -6.615 -3.155 -30.970 1.00 0.00 O ATOM 0 H GLY B 50 -4.433 -0.744 -31.112 1.00 0.00 H new ATOM 0 HA2 GLY B 50 -6.972 0.042 -30.911 1.00 0.00 H new ATOM 0 HA3 GLY B 50 -7.091 -1.005 -32.312 1.00 0.00 H new ATOM 2207 N GLY B 51 -6.576 -1.768 -29.200 1.00 0.00 N ATOM 2208 CA GLY B 51 -6.638 -2.831 -28.224 1.00 0.00 C ATOM 2209 C GLY B 51 -6.390 -2.294 -26.836 1.00 0.00 C ATOM 2210 O GLY B 51 -6.254 -1.084 -26.656 1.00 0.00 O ATOM 0 H GLY B 51 -6.537 -0.830 -28.800 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -7.615 -3.312 -28.264 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -5.897 -3.594 -28.462 1.00 0.00 H new ATOM 2214 N ALA B 52 -6.322 -3.178 -25.858 1.00 0.00 N ATOM 2215 CA ALA B 52 -6.083 -2.775 -24.479 1.00 0.00 C ATOM 2216 C ALA B 52 -5.387 -3.875 -23.691 1.00 0.00 C ATOM 2217 O ALA B 52 -5.658 -5.059 -23.878 1.00 0.00 O ATOM 2218 CB ALA B 52 -7.393 -2.389 -23.806 1.00 0.00 C ATOM 0 H ALA B 52 -6.429 -4.184 -25.991 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.423 -1.907 -24.494 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -7.199 -2.090 -22.776 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -7.848 -1.558 -24.345 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -8.072 -3.242 -23.814 1.00 0.00 H new ATOM 2224 N HIS B 53 -4.469 -3.478 -22.831 1.00 0.00 N ATOM 2225 CA HIS B 53 -3.800 -4.419 -21.946 1.00 0.00 C ATOM 2226 C HIS B 53 -4.307 -4.261 -20.526 1.00 0.00 C ATOM 2227 O HIS B 53 -4.075 -3.236 -19.883 1.00 0.00 O ATOM 2228 CB HIS B 53 -2.284 -4.232 -21.959 1.00 0.00 C ATOM 2229 CG HIS B 53 -1.618 -4.765 -23.181 1.00 0.00 C ATOM 2230 ND1 HIS B 53 -1.263 -6.088 -23.328 1.00 0.00 N ATOM 2231 CD2 HIS B 53 -1.236 -4.146 -24.316 1.00 0.00 C ATOM 2232 CE1 HIS B 53 -0.690 -6.257 -24.504 1.00 0.00 C ATOM 2233 NE2 HIS B 53 -0.664 -5.092 -25.121 1.00 0.00 N ATOM 0 H HIS B 53 -4.167 -2.509 -22.724 1.00 0.00 H new ATOM 0 HA HIS B 53 -4.027 -5.420 -22.312 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -2.059 -3.169 -21.869 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -1.860 -4.723 -21.083 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -1.359 -3.098 -24.547 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -0.308 -7.189 -24.894 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -0.279 -4.923 -26.050 1.00 0.00 H new ATOM 2242 N ASN B 54 -5.008 -5.268 -20.047 1.00 0.00 N ATOM 2243 CA ASN B 54 -5.477 -5.272 -18.675 1.00 0.00 C ATOM 2244 C ASN B 54 -4.484 -6.055 -17.832 1.00 0.00 C ATOM 2245 O ASN B 54 -4.412 -7.278 -17.922 1.00 0.00 O ATOM 2246 CB ASN B 54 -6.875 -5.898 -18.599 1.00 0.00 C ATOM 2247 CG ASN B 54 -7.560 -5.692 -17.255 1.00 0.00 C ATOM 2248 OD1 ASN B 54 -7.251 -4.595 -16.580 1.00 0.00 O flip ATOM 2249 ND2 ASN B 54 -8.378 -6.509 -16.834 1.00 0.00 N flip ATOM 0 H ASN B 54 -5.266 -6.094 -20.586 1.00 0.00 H new ATOM 0 HA ASN B 54 -5.549 -4.252 -18.296 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -7.499 -5.472 -19.385 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -6.797 -6.967 -18.798 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -8.593 -7.344 -17.380 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -8.842 -6.352 -15.939 1.00 0.00 H new ATOM 2256 N GLN B 55 -3.693 -5.349 -17.041 1.00 0.00 N ATOM 2257 CA GLN B 55 -2.618 -5.978 -16.298 1.00 0.00 C ATOM 2258 C GLN B 55 -2.245 -5.152 -15.079 1.00 0.00 C ATOM 2259 O GLN B 55 -2.506 -3.952 -15.031 1.00 0.00 O ATOM 2260 CB GLN B 55 -1.391 -6.155 -17.201 1.00 0.00 C ATOM 2261 CG GLN B 55 -0.785 -4.846 -17.695 1.00 0.00 C ATOM 2262 CD GLN B 55 0.306 -5.060 -18.728 1.00 0.00 C ATOM 2263 OE1 GLN B 55 0.038 -5.099 -19.929 1.00 0.00 O ATOM 2264 NE2 GLN B 55 1.540 -5.198 -18.275 1.00 0.00 N ATOM 0 H GLN B 55 -3.776 -4.342 -16.898 1.00 0.00 H new ATOM 0 HA GLN B 55 -2.963 -6.955 -15.960 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -0.629 -6.712 -16.655 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -1.672 -6.760 -18.063 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -1.571 -4.226 -18.126 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -0.375 -4.297 -16.847 1.00 0.00 H new ATOM 0 HE21 GLN B 55 1.722 -5.160 -17.272 1.00 0.00 H new ATOM 0 HE22 GLN B 55 2.310 -5.343 -18.928 1.00 0.00 H new ATOM 2273 N CYS B 56 -1.642 -5.803 -14.097 1.00 0.00 N ATOM 2274 CA CYS B 56 -1.129 -5.112 -12.932 1.00 0.00 C ATOM 2275 C CYS B 56 0.128 -4.365 -13.334 1.00 0.00 C ATOM 2276 O CYS B 56 1.076 -4.970 -13.838 1.00 0.00 O ATOM 2277 CB CYS B 56 -0.825 -6.102 -11.806 1.00 0.00 C ATOM 2278 SG CYS B 56 -0.270 -5.328 -10.272 1.00 0.00 S ATOM 0 H CYS B 56 -1.497 -6.813 -14.087 1.00 0.00 H new ATOM 0 HA CYS B 56 -1.877 -4.411 -12.562 1.00 0.00 H new ATOM 0 HB2 CYS B 56 -1.721 -6.688 -11.601 1.00 0.00 H new ATOM 0 HB3 CYS B 56 -0.059 -6.799 -12.146 1.00 0.00 H new ATOM 0 HG CYS B 56 -0.041 -6.246 -9.381 1.00 0.00 H new ATOM 2284 N LYS B 57 0.131 -3.059 -13.116 1.00 0.00 N ATOM 2285 CA LYS B 57 1.198 -2.192 -13.608 1.00 0.00 C ATOM 2286 C LYS B 57 2.561 -2.528 -13.004 1.00 0.00 C ATOM 2287 O LYS B 57 3.584 -2.027 -13.464 1.00 0.00 O ATOM 2288 CB LYS B 57 0.846 -0.738 -13.329 1.00 0.00 C ATOM 2289 CG LYS B 57 -0.476 -0.313 -13.940 1.00 0.00 C ATOM 2290 CD LYS B 57 -0.472 -0.465 -15.453 1.00 0.00 C ATOM 2291 CE LYS B 57 -1.784 0.002 -16.058 1.00 0.00 C ATOM 2292 NZ LYS B 57 -2.133 1.375 -15.611 1.00 0.00 N ATOM 0 H LYS B 57 -0.599 -2.570 -12.597 1.00 0.00 H new ATOM 0 HA LYS B 57 1.280 -2.358 -14.682 1.00 0.00 H new ATOM 0 HB2 LYS B 57 0.807 -0.581 -12.251 1.00 0.00 H new ATOM 0 HB3 LYS B 57 1.639 -0.099 -13.716 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -1.282 -0.912 -13.516 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -0.680 0.725 -13.679 1.00 0.00 H new ATOM 0 HD2 LYS B 57 0.351 0.110 -15.876 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -0.299 -1.509 -15.715 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -1.712 -0.020 -17.145 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -2.581 -0.687 -15.777 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -2.998 1.688 -16.095 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -2.292 1.376 -14.583 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -1.353 2.024 -15.841 1.00 0.00 H new ATOM 2306 N LEU B 58 2.576 -3.359 -11.971 1.00 0.00 N ATOM 2307 CA LEU B 58 3.830 -3.848 -11.421 1.00 0.00 C ATOM 2308 C LEU B 58 4.321 -5.037 -12.249 1.00 0.00 C ATOM 2309 O LEU B 58 4.799 -4.864 -13.370 1.00 0.00 O ATOM 2310 CB LEU B 58 3.691 -4.248 -9.939 1.00 0.00 C ATOM 2311 CG LEU B 58 3.369 -3.113 -8.959 1.00 0.00 C ATOM 2312 CD1 LEU B 58 1.897 -2.730 -9.023 1.00 0.00 C ATOM 2313 CD2 LEU B 58 3.755 -3.517 -7.546 1.00 0.00 C ATOM 0 H LEU B 58 1.740 -3.706 -11.501 1.00 0.00 H new ATOM 0 HA LEU B 58 4.559 -3.039 -11.470 1.00 0.00 H new ATOM 0 HB2 LEU B 58 2.908 -5.002 -9.860 1.00 0.00 H new ATOM 0 HB3 LEU B 58 4.621 -4.720 -9.623 1.00 0.00 H new ATOM 0 HG LEU B 58 3.952 -2.238 -9.248 1.00 0.00 H new ATOM 0 HD11 LEU B 58 1.700 -1.923 -8.317 1.00 0.00 H new ATOM 0 HD12 LEU B 58 1.651 -2.398 -10.032 1.00 0.00 H new ATOM 0 HD13 LEU B 58 1.285 -3.594 -8.766 1.00 0.00 H new ATOM 0 HD21 LEU B 58 3.522 -2.704 -6.859 1.00 0.00 H new ATOM 0 HD22 LEU B 58 3.197 -4.408 -7.257 1.00 0.00 H new ATOM 0 HD23 LEU B 58 4.823 -3.730 -7.507 1.00 0.00 H new ATOM 2325 N CYS B 59 4.183 -6.240 -11.703 1.00 0.00 N ATOM 2326 CA CYS B 59 4.532 -7.464 -12.420 1.00 0.00 C ATOM 2327 C CYS B 59 3.672 -8.614 -11.911 1.00 0.00 C ATOM 2328 O CYS B 59 3.921 -9.778 -12.218 1.00 0.00 O ATOM 2329 CB CYS B 59 6.015 -7.806 -12.224 1.00 0.00 C ATOM 2330 SG CYS B 59 7.160 -6.536 -12.806 1.00 0.00 S ATOM 0 H CYS B 59 3.829 -6.396 -10.759 1.00 0.00 H new ATOM 0 HA CYS B 59 4.350 -7.308 -13.483 1.00 0.00 H new ATOM 0 HB2 CYS B 59 6.197 -7.983 -11.164 1.00 0.00 H new ATOM 0 HB3 CYS B 59 6.232 -8.739 -12.745 1.00 0.00 H new ATOM 0 HG CYS B 59 6.488 -5.538 -13.299 1.00 0.00 H new ATOM 2336 N GLY B 60 2.634 -8.269 -11.156 1.00 0.00 N ATOM 2337 CA GLY B 60 1.870 -9.273 -10.444 1.00 0.00 C ATOM 2338 C GLY B 60 0.736 -9.873 -11.252 1.00 0.00 C ATOM 2339 O GLY B 60 0.140 -10.862 -10.829 1.00 0.00 O ATOM 0 H GLY B 60 2.309 -7.311 -11.025 1.00 0.00 H new ATOM 0 HA2 GLY B 60 2.542 -10.072 -10.131 1.00 0.00 H new ATOM 0 HA3 GLY B 60 1.460 -8.828 -9.537 1.00 0.00 H new ATOM 2343 N ALA B 61 0.395 -9.263 -12.380 1.00 0.00 N ATOM 2344 CA ALA B 61 -0.663 -9.795 -13.229 1.00 0.00 C ATOM 2345 C ALA B 61 -0.517 -9.339 -14.674 1.00 0.00 C ATOM 2346 O ALA B 61 -0.338 -8.154 -14.941 1.00 0.00 O ATOM 2347 CB ALA B 61 -2.030 -9.396 -12.692 1.00 0.00 C ATOM 0 H ALA B 61 0.831 -8.408 -12.726 1.00 0.00 H new ATOM 0 HA ALA B 61 -0.574 -10.881 -13.213 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -2.808 -9.802 -13.339 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -2.154 -9.791 -11.684 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.109 -8.309 -12.669 1.00 0.00 H new ATOM 2353 N SER B 62 -0.593 -10.287 -15.594 1.00 0.00 N ATOM 2354 CA SER B 62 -0.692 -9.982 -17.011 1.00 0.00 C ATOM 2355 C SER B 62 -1.684 -10.937 -17.662 1.00 0.00 C ATOM 2356 O SER B 62 -1.534 -12.158 -17.574 1.00 0.00 O ATOM 2357 CB SER B 62 0.674 -10.088 -17.698 1.00 0.00 C ATOM 2358 OG SER B 62 0.560 -9.875 -19.097 1.00 0.00 O ATOM 0 H SER B 62 -0.588 -11.284 -15.381 1.00 0.00 H new ATOM 0 HA SER B 62 -1.041 -8.956 -17.124 1.00 0.00 H new ATOM 0 HB2 SER B 62 1.358 -9.355 -17.270 1.00 0.00 H new ATOM 0 HB3 SER B 62 1.103 -11.072 -17.511 1.00 0.00 H new ATOM 0 HG SER B 62 1.445 -9.946 -19.512 1.00 0.00 H new ATOM 2364 N VAL B 63 -2.698 -10.382 -18.304 1.00 0.00 N ATOM 2365 CA VAL B 63 -3.737 -11.184 -18.930 1.00 0.00 C ATOM 2366 C VAL B 63 -4.250 -10.492 -20.194 1.00 0.00 C ATOM 2367 O VAL B 63 -4.376 -9.266 -20.229 1.00 0.00 O ATOM 2368 CB VAL B 63 -4.906 -11.449 -17.939 1.00 0.00 C ATOM 2369 CG1 VAL B 63 -5.550 -10.151 -17.479 1.00 0.00 C ATOM 2370 CG2 VAL B 63 -5.952 -12.371 -18.546 1.00 0.00 C ATOM 0 H VAL B 63 -2.825 -9.375 -18.406 1.00 0.00 H new ATOM 0 HA VAL B 63 -3.307 -12.146 -19.209 1.00 0.00 H new ATOM 0 HB VAL B 63 -4.479 -11.945 -17.068 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -6.363 -10.373 -16.788 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -4.805 -9.533 -16.977 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -5.944 -9.615 -18.342 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -6.754 -12.535 -17.826 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -6.361 -11.914 -19.447 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -5.492 -13.326 -18.800 1.00 0.00 H new ATOM 2380 N PRO B 64 -4.480 -11.256 -21.270 1.00 0.00 N ATOM 2381 CA PRO B 64 -5.096 -10.725 -22.485 1.00 0.00 C ATOM 2382 C PRO B 64 -6.527 -10.265 -22.225 1.00 0.00 C ATOM 2383 O PRO B 64 -7.270 -10.915 -21.490 1.00 0.00 O ATOM 2384 CB PRO B 64 -5.082 -11.911 -23.458 1.00 0.00 C ATOM 2385 CG PRO B 64 -4.104 -12.880 -22.887 1.00 0.00 C ATOM 2386 CD PRO B 64 -4.140 -12.679 -21.401 1.00 0.00 C ATOM 0 HA PRO B 64 -4.566 -9.853 -22.869 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -6.072 -12.358 -23.547 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -4.784 -11.595 -24.458 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -4.371 -13.904 -23.149 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -3.103 -12.702 -23.280 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -4.884 -13.318 -20.925 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -3.180 -12.909 -20.939 1.00 0.00 H new ATOM 2394 N TRP B 65 -6.910 -9.150 -22.834 1.00 0.00 N ATOM 2395 CA TRP B 65 -8.250 -8.595 -22.652 1.00 0.00 C ATOM 2396 C TRP B 65 -9.303 -9.477 -23.323 1.00 0.00 C ATOM 2397 O TRP B 65 -10.504 -9.310 -23.113 1.00 0.00 O ATOM 2398 CB TRP B 65 -8.310 -7.164 -23.206 1.00 0.00 C ATOM 2399 CG TRP B 65 -8.104 -7.063 -24.692 1.00 0.00 C ATOM 2400 CD1 TRP B 65 -6.982 -7.397 -25.399 1.00 0.00 C ATOM 2401 CD2 TRP B 65 -9.047 -6.572 -25.653 1.00 0.00 C ATOM 2402 NE1 TRP B 65 -7.173 -7.151 -26.736 1.00 0.00 N ATOM 2403 CE2 TRP B 65 -8.430 -6.642 -26.918 1.00 0.00 C ATOM 2404 CE3 TRP B 65 -10.350 -6.078 -25.567 1.00 0.00 C ATOM 2405 CZ2 TRP B 65 -9.077 -6.243 -28.085 1.00 0.00 C ATOM 2406 CZ3 TRP B 65 -10.991 -5.682 -26.725 1.00 0.00 C ATOM 2407 CH2 TRP B 65 -10.353 -5.763 -27.970 1.00 0.00 C ATOM 0 H TRP B 65 -6.312 -8.610 -23.460 1.00 0.00 H new ATOM 0 HA TRP B 65 -8.468 -8.566 -21.584 1.00 0.00 H new ATOM 0 HB2 TRP B 65 -9.278 -6.731 -22.956 1.00 0.00 H new ATOM 0 HB3 TRP B 65 -7.552 -6.562 -22.705 1.00 0.00 H new ATOM 0 HD1 TRP B 65 -6.076 -7.797 -24.968 1.00 0.00 H new ATOM 0 HE1 TRP B 65 -6.489 -7.320 -27.474 1.00 0.00 H new ATOM 0 HE3 TRP B 65 -10.848 -6.007 -24.612 1.00 0.00 H new ATOM 0 HZ2 TRP B 65 -8.589 -6.310 -29.046 1.00 0.00 H new ATOM 0 HZ3 TRP B 65 -12.001 -5.304 -26.670 1.00 0.00 H new ATOM 0 HH2 TRP B 65 -10.879 -5.440 -28.856 1.00 0.00 H new ATOM 2418 N LEU B 66 -8.835 -10.422 -24.127 1.00 0.00 N ATOM 2419 CA LEU B 66 -9.713 -11.375 -24.788 1.00 0.00 C ATOM 2420 C LEU B 66 -9.834 -12.653 -23.956 1.00 0.00 C ATOM 2421 O LEU B 66 -10.167 -13.720 -24.474 1.00 0.00 O ATOM 2422 CB LEU B 66 -9.174 -11.705 -26.184 1.00 0.00 C ATOM 2423 CG LEU B 66 -9.063 -10.512 -27.137 1.00 0.00 C ATOM 2424 CD1 LEU B 66 -8.441 -10.941 -28.458 1.00 0.00 C ATOM 2425 CD2 LEU B 66 -10.429 -9.884 -27.373 1.00 0.00 C ATOM 0 H LEU B 66 -7.845 -10.548 -24.338 1.00 0.00 H new ATOM 0 HA LEU B 66 -10.702 -10.928 -24.887 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -8.188 -12.158 -26.078 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -9.822 -12.454 -26.639 1.00 0.00 H new ATOM 0 HG LEU B 66 -8.417 -9.765 -26.676 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -8.370 -10.080 -29.123 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -7.444 -11.343 -28.277 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -9.063 -11.707 -28.921 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -10.328 -9.038 -28.053 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -11.099 -10.624 -27.811 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -10.840 -9.540 -26.424 1.00 0.00 H new ATOM 2437 N GLN B 67 -9.564 -12.537 -22.664 1.00 0.00 N ATOM 2438 CA GLN B 67 -9.635 -13.675 -21.763 1.00 0.00 C ATOM 2439 C GLN B 67 -10.138 -13.228 -20.398 1.00 0.00 C ATOM 2440 O GLN B 67 -10.121 -12.039 -20.085 1.00 0.00 O ATOM 2441 CB GLN B 67 -8.258 -14.317 -21.612 1.00 0.00 C ATOM 2442 CG GLN B 67 -8.311 -15.745 -21.092 1.00 0.00 C ATOM 2443 CD GLN B 67 -6.965 -16.267 -20.638 1.00 0.00 C ATOM 2444 OE1 GLN B 67 -6.157 -15.407 -20.036 1.00 0.00 O flip ATOM 2445 NE2 GLN B 67 -6.667 -17.451 -20.790 1.00 0.00 N flip ATOM 0 H GLN B 67 -9.293 -11.662 -22.216 1.00 0.00 H new ATOM 0 HA GLN B 67 -10.326 -14.406 -22.182 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -7.753 -14.309 -22.578 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -7.656 -13.713 -20.933 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -9.012 -15.795 -20.259 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -8.700 -16.395 -21.876 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -7.315 -18.084 -21.259 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -5.772 -17.800 -20.447 1.00 0.00 H new ATOM 2454 N THR B 68 -10.584 -14.180 -19.591 1.00 0.00 N ATOM 2455 CA THR B 68 -11.030 -13.885 -18.241 1.00 0.00 C ATOM 2456 C THR B 68 -9.829 -13.699 -17.311 1.00 0.00 C ATOM 2457 O THR B 68 -8.781 -14.325 -17.499 1.00 0.00 O ATOM 2458 CB THR B 68 -11.948 -15.005 -17.694 1.00 0.00 C ATOM 2459 OG1 THR B 68 -12.442 -14.663 -16.391 1.00 0.00 O ATOM 2460 CG2 THR B 68 -11.214 -16.335 -17.621 1.00 0.00 C ATOM 0 H THR B 68 -10.646 -15.165 -19.850 1.00 0.00 H new ATOM 0 HA THR B 68 -11.604 -12.959 -18.277 1.00 0.00 H new ATOM 0 HB THR B 68 -12.786 -15.105 -18.384 1.00 0.00 H new ATOM 0 HG1 THR B 68 -13.022 -15.381 -16.062 1.00 0.00 H new ATOM 0 HG21 THR B 68 -11.886 -17.101 -17.233 1.00 0.00 H new ATOM 0 HG22 THR B 68 -10.877 -16.620 -18.618 1.00 0.00 H new ATOM 0 HG23 THR B 68 -10.353 -16.239 -16.960 1.00 0.00 H new ATOM 2468 N GLY B 69 -9.982 -12.827 -16.326 1.00 0.00 N ATOM 2469 CA GLY B 69 -8.930 -12.601 -15.357 1.00 0.00 C ATOM 2470 C GLY B 69 -9.489 -12.532 -13.953 1.00 0.00 C ATOM 2471 O GLY B 69 -10.084 -11.527 -13.565 1.00 0.00 O ATOM 0 H GLY B 69 -10.823 -12.268 -16.180 1.00 0.00 H new ATOM 0 HA2 GLY B 69 -8.195 -13.403 -15.420 1.00 0.00 H new ATOM 0 HA3 GLY B 69 -8.409 -11.672 -15.591 1.00 0.00 H new ATOM 2543 N HIS B 74 0.039 -14.388 -8.984 1.00 0.00 N ATOM 2544 CA HIS B 74 0.746 -13.133 -8.805 1.00 0.00 C ATOM 2545 C HIS B 74 2.219 -13.375 -8.532 1.00 0.00 C ATOM 2546 O HIS B 74 2.586 -14.327 -7.837 1.00 0.00 O ATOM 2547 CB HIS B 74 0.114 -12.323 -7.671 1.00 0.00 C ATOM 2548 CG HIS B 74 -1.344 -12.057 -7.881 1.00 0.00 C ATOM 2549 ND1 HIS B 74 -1.833 -11.417 -8.996 1.00 0.00 N ATOM 2550 CD2 HIS B 74 -2.424 -12.374 -7.130 1.00 0.00 C ATOM 2551 CE1 HIS B 74 -3.146 -11.351 -8.924 1.00 0.00 C ATOM 2552 NE2 HIS B 74 -3.535 -11.927 -7.802 1.00 0.00 N ATOM 0 HA HIS B 74 0.664 -12.560 -9.729 1.00 0.00 H new ATOM 0 HB2 HIS B 74 0.248 -12.859 -6.731 1.00 0.00 H new ATOM 0 HB3 HIS B 74 0.640 -11.373 -7.574 1.00 0.00 H new ATOM 0 HD1 HIS B 74 -1.266 -11.050 -9.760 1.00 0.00 H new ATOM 0 HD2 HIS B 74 -2.414 -12.884 -6.178 1.00 0.00 H new ATOM 0 HE1 HIS B 74 -3.796 -10.901 -9.660 1.00 0.00 H new ATOM 2561 N ALA B 75 3.050 -12.513 -9.100 1.00 0.00 N ATOM 2562 CA ALA B 75 4.493 -12.618 -8.968 1.00 0.00 C ATOM 2563 C ALA B 75 4.946 -12.377 -7.536 1.00 0.00 C ATOM 2564 O ALA B 75 4.385 -11.547 -6.817 1.00 0.00 O ATOM 2565 CB ALA B 75 5.175 -11.635 -9.905 1.00 0.00 C ATOM 0 H ALA B 75 2.741 -11.722 -9.665 1.00 0.00 H new ATOM 0 HA ALA B 75 4.779 -13.634 -9.239 1.00 0.00 H new ATOM 0 HB1 ALA B 75 6.256 -11.721 -9.799 1.00 0.00 H new ATOM 0 HB2 ALA B 75 4.893 -11.858 -10.934 1.00 0.00 H new ATOM 0 HB3 ALA B 75 4.866 -10.620 -9.655 1.00 0.00 H new ATOM 2571 N ASP B 76 5.978 -13.105 -7.146 1.00 0.00 N ATOM 2572 CA ASP B 76 6.560 -12.994 -5.809 1.00 0.00 C ATOM 2573 C ASP B 76 7.484 -11.781 -5.742 1.00 0.00 C ATOM 2574 O ASP B 76 7.988 -11.405 -4.684 1.00 0.00 O ATOM 2575 CB ASP B 76 7.337 -14.273 -5.500 1.00 0.00 C ATOM 2576 CG ASP B 76 7.739 -14.401 -4.046 1.00 0.00 C ATOM 2577 OD1 ASP B 76 6.855 -14.683 -3.208 1.00 0.00 O ATOM 2578 OD2 ASP B 76 8.948 -14.270 -3.743 1.00 0.00 O ATOM 0 H ASP B 76 6.440 -13.791 -7.743 1.00 0.00 H new ATOM 0 HA ASP B 76 5.769 -12.863 -5.071 1.00 0.00 H new ATOM 0 HB2 ASP B 76 6.729 -15.134 -5.777 1.00 0.00 H new ATOM 0 HB3 ASP B 76 8.233 -14.303 -6.120 1.00 0.00 H new ATOM 2583 N ASP B 77 7.682 -11.175 -6.903 1.00 0.00 N ATOM 2584 CA ASP B 77 8.552 -10.010 -7.056 1.00 0.00 C ATOM 2585 C ASP B 77 7.893 -8.757 -6.502 1.00 0.00 C ATOM 2586 O ASP B 77 8.544 -7.723 -6.340 1.00 0.00 O ATOM 2587 CB ASP B 77 8.870 -9.785 -8.538 1.00 0.00 C ATOM 2588 CG ASP B 77 9.398 -11.025 -9.218 1.00 0.00 C ATOM 2589 OD1 ASP B 77 8.592 -11.928 -9.525 1.00 0.00 O ATOM 2590 OD2 ASP B 77 10.622 -11.119 -9.438 1.00 0.00 O ATOM 0 H ASP B 77 7.243 -11.477 -7.773 1.00 0.00 H new ATOM 0 HA ASP B 77 9.469 -10.205 -6.500 1.00 0.00 H new ATOM 0 HB2 ASP B 77 7.969 -9.450 -9.052 1.00 0.00 H new ATOM 0 HB3 ASP B 77 9.605 -8.985 -8.630 1.00 0.00 H new ATOM 2595 N CYS B 78 6.602 -8.846 -6.229 1.00 0.00 N ATOM 2596 CA CYS B 78 5.838 -7.701 -5.769 1.00 0.00 C ATOM 2597 C CYS B 78 5.673 -7.731 -4.248 1.00 0.00 C ATOM 2598 O CYS B 78 5.539 -8.798 -3.652 1.00 0.00 O ATOM 2599 CB CYS B 78 4.472 -7.683 -6.460 1.00 0.00 C ATOM 2600 SG CYS B 78 4.571 -7.625 -8.268 1.00 0.00 S ATOM 0 H CYS B 78 6.059 -9.705 -6.319 1.00 0.00 H new ATOM 0 HA CYS B 78 6.379 -6.791 -6.027 1.00 0.00 H new ATOM 0 HB2 CYS B 78 3.913 -8.571 -6.164 1.00 0.00 H new ATOM 0 HB3 CYS B 78 3.908 -6.819 -6.108 1.00 0.00 H new ATOM 0 HG CYS B 78 3.371 -7.615 -8.768 1.00 0.00 H new ATOM 2606 N PRO B 79 5.668 -6.548 -3.605 1.00 0.00 N ATOM 2607 CA PRO B 79 5.531 -6.418 -2.145 1.00 0.00 C ATOM 2608 C PRO B 79 4.141 -6.819 -1.644 1.00 0.00 C ATOM 2609 O PRO B 79 3.851 -6.723 -0.451 1.00 0.00 O ATOM 2610 CB PRO B 79 5.785 -4.922 -1.882 1.00 0.00 C ATOM 2611 CG PRO B 79 6.373 -4.388 -3.144 1.00 0.00 C ATOM 2612 CD PRO B 79 5.815 -5.236 -4.248 1.00 0.00 C ATOM 0 HA PRO B 79 6.222 -7.078 -1.620 1.00 0.00 H new ATOM 0 HB2 PRO B 79 4.859 -4.405 -1.632 1.00 0.00 H new ATOM 0 HB3 PRO B 79 6.465 -4.782 -1.042 1.00 0.00 H new ATOM 0 HG2 PRO B 79 6.109 -3.340 -3.285 1.00 0.00 H new ATOM 0 HG3 PRO B 79 7.461 -4.442 -3.122 1.00 0.00 H new ATOM 0 HD2 PRO B 79 4.861 -4.853 -4.610 1.00 0.00 H new ATOM 0 HD3 PRO B 79 6.487 -5.278 -5.105 1.00 0.00 H new ATOM 2620 N VAL B 80 3.291 -7.277 -2.559 1.00 0.00 N ATOM 2621 CA VAL B 80 1.951 -7.738 -2.211 1.00 0.00 C ATOM 2622 C VAL B 80 2.032 -8.913 -1.239 1.00 0.00 C ATOM 2623 O VAL B 80 1.164 -9.088 -0.385 1.00 0.00 O ATOM 2624 CB VAL B 80 1.156 -8.157 -3.468 1.00 0.00 C ATOM 2625 CG1 VAL B 80 -0.270 -8.549 -3.110 1.00 0.00 C ATOM 2626 CG2 VAL B 80 1.161 -7.033 -4.495 1.00 0.00 C ATOM 0 H VAL B 80 3.509 -7.339 -3.554 1.00 0.00 H new ATOM 0 HA VAL B 80 1.428 -6.908 -1.735 1.00 0.00 H new ATOM 0 HB VAL B 80 1.643 -9.030 -3.903 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.805 -8.839 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -0.253 -9.387 -2.414 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.775 -7.702 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL B 80 0.597 -7.342 -5.375 1.00 0.00 H new ATOM 0 HG22 VAL B 80 0.701 -6.144 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.188 -6.807 -4.782 1.00 0.00 H new ATOM 2636 N VAL B 81 3.100 -9.700 -1.372 1.00 0.00 N ATOM 2637 CA VAL B 81 3.361 -10.824 -0.476 1.00 0.00 C ATOM 2638 C VAL B 81 3.320 -10.373 0.983 1.00 0.00 C ATOM 2639 O VAL B 81 2.681 -11.003 1.828 1.00 0.00 O ATOM 2640 CB VAL B 81 4.742 -11.454 -0.767 1.00 0.00 C ATOM 2641 CG1 VAL B 81 4.987 -12.667 0.121 1.00 0.00 C ATOM 2642 CG2 VAL B 81 4.864 -11.834 -2.236 1.00 0.00 C ATOM 0 H VAL B 81 3.804 -9.577 -2.100 1.00 0.00 H new ATOM 0 HA VAL B 81 2.583 -11.567 -0.650 1.00 0.00 H new ATOM 0 HB VAL B 81 5.504 -10.708 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL B 81 5.966 -13.091 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL B 81 4.955 -12.364 1.168 1.00 0.00 H new ATOM 0 HG13 VAL B 81 4.216 -13.415 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.844 -12.275 -2.417 1.00 0.00 H new ATOM 0 HG22 VAL B 81 4.088 -12.556 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL B 81 4.747 -10.943 -2.853 1.00 0.00 H new ATOM 2652 N ILE B 82 3.982 -9.259 1.258 1.00 0.00 N ATOM 2653 CA ILE B 82 4.068 -8.720 2.606 1.00 0.00 C ATOM 2654 C ILE B 82 2.694 -8.286 3.092 1.00 0.00 C ATOM 2655 O ILE B 82 2.305 -8.573 4.224 1.00 0.00 O ATOM 2656 CB ILE B 82 5.029 -7.513 2.662 1.00 0.00 C ATOM 2657 CG1 ILE B 82 6.340 -7.840 1.942 1.00 0.00 C ATOM 2658 CG2 ILE B 82 5.304 -7.114 4.105 1.00 0.00 C ATOM 2659 CD1 ILE B 82 7.041 -9.066 2.480 1.00 0.00 C ATOM 0 H ILE B 82 4.473 -8.705 0.556 1.00 0.00 H new ATOM 0 HA ILE B 82 4.453 -9.509 3.252 1.00 0.00 H new ATOM 0 HB ILE B 82 4.554 -6.673 2.156 1.00 0.00 H new ATOM 0 HG12 ILE B 82 6.135 -7.986 0.882 1.00 0.00 H new ATOM 0 HG13 ILE B 82 7.011 -6.985 2.022 1.00 0.00 H new ATOM 0 HG21 ILE B 82 5.983 -6.262 4.124 1.00 0.00 H new ATOM 0 HG22 ILE B 82 4.368 -6.842 4.592 1.00 0.00 H new ATOM 0 HG23 ILE B 82 5.758 -7.952 4.634 1.00 0.00 H new ATOM 0 HD11 ILE B 82 7.961 -9.234 1.920 1.00 0.00 H new ATOM 0 HD12 ILE B 82 7.279 -8.916 3.533 1.00 0.00 H new ATOM 0 HD13 ILE B 82 6.389 -9.933 2.375 1.00 0.00 H new ATOM 2671 N ALA B 83 1.956 -7.614 2.213 1.00 0.00 N ATOM 2672 CA ALA B 83 0.622 -7.130 2.536 1.00 0.00 C ATOM 2673 C ALA B 83 -0.288 -8.278 2.954 1.00 0.00 C ATOM 2674 O ALA B 83 -1.010 -8.170 3.945 1.00 0.00 O ATOM 2675 CB ALA B 83 0.027 -6.379 1.354 1.00 0.00 C ATOM 0 H ALA B 83 2.264 -7.392 1.266 1.00 0.00 H new ATOM 0 HA ALA B 83 0.705 -6.442 3.377 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -0.971 -6.024 1.613 1.00 0.00 H new ATOM 0 HB2 ALA B 83 0.662 -5.528 1.107 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -0.037 -7.046 0.494 1.00 0.00 H new ATOM 2681 N LYS B 84 -0.225 -9.382 2.205 1.00 0.00 N ATOM 2682 CA LYS B 84 -1.026 -10.575 2.502 1.00 0.00 C ATOM 2683 C LYS B 84 -0.828 -11.014 3.942 1.00 0.00 C ATOM 2684 O LYS B 84 -1.786 -11.187 4.698 1.00 0.00 O ATOM 2685 CB LYS B 84 -0.612 -11.732 1.592 1.00 0.00 C ATOM 2686 CG LYS B 84 -0.804 -11.464 0.115 1.00 0.00 C ATOM 2687 CD LYS B 84 -0.074 -12.490 -0.743 1.00 0.00 C ATOM 2688 CE LYS B 84 -0.767 -13.851 -0.760 1.00 0.00 C ATOM 2689 NZ LYS B 84 -0.503 -14.650 0.470 1.00 0.00 N ATOM 0 H LYS B 84 0.375 -9.475 1.385 1.00 0.00 H new ATOM 0 HA LYS B 84 -2.072 -10.318 2.335 1.00 0.00 H new ATOM 0 HB2 LYS B 84 0.438 -11.964 1.774 1.00 0.00 H new ATOM 0 HB3 LYS B 84 -1.186 -12.617 1.866 1.00 0.00 H new ATOM 0 HG2 LYS B 84 -1.868 -11.481 -0.123 1.00 0.00 H new ATOM 0 HG3 LYS B 84 -0.440 -10.465 -0.124 1.00 0.00 H new ATOM 0 HD2 LYS B 84 0.003 -12.114 -1.763 1.00 0.00 H new ATOM 0 HD3 LYS B 84 0.943 -12.610 -0.370 1.00 0.00 H new ATOM 0 HE2 LYS B 84 -1.842 -13.705 -0.869 1.00 0.00 H new ATOM 0 HE3 LYS B 84 -0.432 -14.413 -1.632 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 -0.293 -15.634 0.206 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 0.310 -14.247 0.978 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 -1.341 -14.627 1.085 1.00 0.00 H new ATOM 2703 N GLN B 85 0.431 -11.178 4.312 1.00 0.00 N ATOM 2704 CA GLN B 85 0.790 -11.623 5.647 1.00 0.00 C ATOM 2705 C GLN B 85 0.374 -10.609 6.715 1.00 0.00 C ATOM 2706 O GLN B 85 -0.105 -10.989 7.785 1.00 0.00 O ATOM 2707 CB GLN B 85 2.293 -11.898 5.719 1.00 0.00 C ATOM 2708 CG GLN B 85 2.664 -13.352 5.447 1.00 0.00 C ATOM 2709 CD GLN B 85 2.279 -13.821 4.055 1.00 0.00 C ATOM 2710 OE1 GLN B 85 1.168 -14.313 3.831 1.00 0.00 O ATOM 2711 NE2 GLN B 85 3.199 -13.701 3.114 1.00 0.00 N ATOM 0 H GLN B 85 1.228 -11.007 3.699 1.00 0.00 H new ATOM 0 HA GLN B 85 0.248 -12.546 5.851 1.00 0.00 H new ATOM 0 HB2 GLN B 85 2.805 -11.261 4.998 1.00 0.00 H new ATOM 0 HB3 GLN B 85 2.658 -11.618 6.707 1.00 0.00 H new ATOM 0 HG2 GLN B 85 3.739 -13.476 5.580 1.00 0.00 H new ATOM 0 HG3 GLN B 85 2.176 -13.988 6.185 1.00 0.00 H new ATOM 0 HE21 GLN B 85 4.105 -13.289 3.336 1.00 0.00 H new ATOM 0 HE22 GLN B 85 3.003 -14.020 2.165 1.00 0.00 H new ATOM 2720 N ILE B 86 0.547 -9.324 6.418 1.00 0.00 N ATOM 2721 CA ILE B 86 0.201 -8.269 7.368 1.00 0.00 C ATOM 2722 C ILE B 86 -1.307 -8.204 7.624 1.00 0.00 C ATOM 2723 O ILE B 86 -1.747 -8.253 8.777 1.00 0.00 O ATOM 2724 CB ILE B 86 0.699 -6.883 6.893 1.00 0.00 C ATOM 2725 CG1 ILE B 86 2.231 -6.855 6.840 1.00 0.00 C ATOM 2726 CG2 ILE B 86 0.174 -5.779 7.806 1.00 0.00 C ATOM 2727 CD1 ILE B 86 2.797 -5.541 6.344 1.00 0.00 C ATOM 0 H ILE B 86 0.923 -8.988 5.531 1.00 0.00 H new ATOM 0 HA ILE B 86 0.704 -8.524 8.301 1.00 0.00 H new ATOM 0 HB ILE B 86 0.315 -6.706 5.889 1.00 0.00 H new ATOM 0 HG12 ILE B 86 2.624 -7.057 7.836 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.578 -7.659 6.191 1.00 0.00 H new ATOM 0 HG21 ILE B 86 0.536 -4.813 7.454 1.00 0.00 H new ATOM 0 HG22 ILE B 86 -0.916 -5.784 7.794 1.00 0.00 H new ATOM 0 HG23 ILE B 86 0.526 -5.950 8.823 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.886 -5.595 6.333 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.433 -5.346 5.335 1.00 0.00 H new ATOM 0 HD13 ILE B 86 2.480 -4.735 7.006 1.00 0.00 H new ATOM 2739 N LEU B 87 -2.097 -8.126 6.554 1.00 0.00 N ATOM 2740 CA LEU B 87 -3.537 -7.896 6.684 1.00 0.00 C ATOM 2741 C LEU B 87 -4.268 -9.109 7.256 1.00 0.00 C ATOM 2742 O LEU B 87 -5.405 -8.996 7.714 1.00 0.00 O ATOM 2743 CB LEU B 87 -4.152 -7.468 5.333 1.00 0.00 C ATOM 2744 CG LEU B 87 -3.998 -8.449 4.161 1.00 0.00 C ATOM 2745 CD1 LEU B 87 -5.020 -9.576 4.230 1.00 0.00 C ATOM 2746 CD2 LEU B 87 -4.119 -7.706 2.837 1.00 0.00 C ATOM 0 H LEU B 87 -1.768 -8.218 5.593 1.00 0.00 H new ATOM 0 HA LEU B 87 -3.666 -7.081 7.396 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -5.216 -7.286 5.486 1.00 0.00 H new ATOM 0 HB3 LEU B 87 -3.705 -6.518 5.042 1.00 0.00 H new ATOM 0 HG LEU B 87 -3.008 -8.899 4.232 1.00 0.00 H new ATOM 0 HD11 LEU B 87 -4.878 -10.248 3.384 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -4.889 -10.130 5.160 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -6.026 -9.158 4.196 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -4.008 -8.411 2.013 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -5.096 -7.227 2.776 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -3.339 -6.947 2.773 1.00 0.00 H new ATOM 2758 N SER B 88 -3.621 -10.269 7.231 1.00 0.00 N ATOM 2759 CA SER B 88 -4.232 -11.478 7.751 1.00 0.00 C ATOM 2760 C SER B 88 -4.331 -11.429 9.273 1.00 0.00 C ATOM 2761 O SER B 88 -5.407 -11.653 9.831 1.00 0.00 O ATOM 2762 CB SER B 88 -3.433 -12.705 7.316 1.00 0.00 C ATOM 2763 OG SER B 88 -3.463 -12.863 5.905 1.00 0.00 O ATOM 0 H SER B 88 -2.680 -10.394 6.858 1.00 0.00 H new ATOM 0 HA SER B 88 -5.241 -11.549 7.345 1.00 0.00 H new ATOM 0 HB2 SER B 88 -2.401 -12.608 7.652 1.00 0.00 H new ATOM 0 HB3 SER B 88 -3.841 -13.596 7.793 1.00 0.00 H new ATOM 0 HG SER B 88 -3.062 -12.077 5.479 1.00 0.00 H new ATOM 2769 N SER B 89 -3.204 -11.110 9.925 1.00 0.00 N ATOM 2770 CA SER B 89 -3.077 -11.109 11.391 1.00 0.00 C ATOM 2771 C SER B 89 -3.523 -12.445 12.003 1.00 0.00 C ATOM 2772 O SER B 89 -3.907 -13.367 11.279 1.00 0.00 O ATOM 2773 CB SER B 89 -3.835 -9.927 12.026 1.00 0.00 C ATOM 2774 OG SER B 89 -5.227 -9.966 11.757 1.00 0.00 O ATOM 0 H SER B 89 -2.345 -10.842 9.445 1.00 0.00 H new ATOM 0 HA SER B 89 -2.018 -10.983 11.617 1.00 0.00 H new ATOM 0 HB2 SER B 89 -3.676 -9.935 13.104 1.00 0.00 H new ATOM 0 HB3 SER B 89 -3.422 -8.991 11.650 1.00 0.00 H new ATOM 0 HG SER B 89 -5.454 -10.818 11.329 1.00 0.00 H new