USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=38 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 18 TYR OH : rot 0:sc= 1.72 USER MOD Set 1.2: B 89 SER OG : rot -67:sc= 1.21 USER MOD Set 2.1: A 59 CYS SG : rot -25:sc= -4.59! USER MOD Set 2.2: A 74 HIS : no HD1:sc= 0 X(o=-5.7,f=-5.7) USER MOD Set 2.3: A 78 CYS SG : rot 74:sc= -1.12 USER MOD Set 3.1: A 53 HIS : no HD1:sc= 0.415 K(o=0.86,f=-2.4) USER MOD Set 3.2: A 62 SER OG : rot 178:sc= 0.449 USER MOD Set 4.1: A 20 GLN : amide:sc= 1.02 X(o=2.2,f=1.7) USER MOD Set 4.2: B 23 THR OG1 : rot 54:sc= 1.21 USER MOD Single : A 22 MET CE :methyl 171:sc= -0.108 (180deg=-0.325) USER MOD Single : A 23 THR OG1 : rot 30:sc= 0.345 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 175:sc= 1.17 (180deg=0.974) USER MOD Single : A 35 THR OG1 : rot 68:sc= 1.11 USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= -0.0222 (180deg=-0.188) USER MOD Single : A 40 THR OG1 : rot -160:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -1.37! C(o=-3.1!,f=-1.4!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 CYS SG : rot -46:sc= -3.62! USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= 1.27! (180deg=0.744!) USER MOD Single : A 67 GLN : amide:sc= -0.0326 X(o=-0.033,f=-0.33) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -165:sc= -0.0162 (180deg=-0.237) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.184 F(o=-0.79,f=-0.18) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot -170:sc= 0.00269 USER MOD Single : B 20 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : B 22 MET CE :methyl 137:sc= -0.214 (180deg=-0.796) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ -158:sc= 1.85 (180deg=0.727) USER MOD Single : B 35 THR OG1 : rot 74:sc= 1.25 USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 THR OG1 : rot 180:sc= -0.44 USER MOD Single : B 46 SER OG : rot 180:sc= 0.0271 USER MOD Single : B 53 HIS : no HD1:sc= 0.805 K(o=0.8,f=-2.6!) USER MOD Single : B 54 ASN :FLIP amide:sc= -1.92 F(o=-8.8!,f=-1.9) USER MOD Single : B 55 GLN : amide:sc= -0.309 K(o=-0.31,f=-3!) USER MOD Single : B 56 CYS SG : rot 180:sc= -0.0568 USER MOD Single : B 57 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0302) USER MOD Single : B 59 CYS SG : rot 180:sc= 0.155 USER MOD Single : B 62 SER OG : rot 170:sc= -0.876 USER MOD Single : B 67 GLN :FLIP amide:sc= -0.139 F(o=-1.5,f=-0.14) USER MOD Single : B 68 THR OG1 : rot 180:sc= -0.12 USER MOD Single : B 74 HIS : no HE2:sc= 0.809 K(o=0.81,f=-3!) USER MOD Single : B 78 CYS SG : rot -110:sc= -1.73 USER MOD Single : B 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 85 GLN : amide:sc= -1.64! X(o=-1.6!,f=-1.2) USER MOD Single : B 88 SER OG : rot 77:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 239 N LEU A 17 8.374 -7.146 11.783 1.00 0.00 N ATOM 240 CA LEU A 17 7.902 -6.937 13.139 1.00 0.00 C ATOM 241 C LEU A 17 6.504 -6.353 13.087 1.00 0.00 C ATOM 242 O LEU A 17 6.286 -5.288 12.506 1.00 0.00 O ATOM 243 CB LEU A 17 8.843 -6.022 13.925 1.00 0.00 C ATOM 244 CG LEU A 17 10.177 -6.661 14.317 1.00 0.00 C ATOM 245 CD1 LEU A 17 11.012 -5.694 15.138 1.00 0.00 C ATOM 246 CD2 LEU A 17 9.950 -7.950 15.092 1.00 0.00 C ATOM 0 HA LEU A 17 7.881 -7.895 13.658 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.043 -5.132 13.329 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.334 -5.692 14.830 1.00 0.00 H new ATOM 0 HG LEU A 17 10.720 -6.899 13.402 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.957 -6.167 15.407 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.209 -4.796 14.553 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.470 -5.424 16.044 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.912 -8.387 15.360 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.384 -7.735 15.998 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.392 -8.653 14.474 1.00 0.00 H new ATOM 258 N TYR A 18 5.559 -7.072 13.669 1.00 0.00 N ATOM 259 CA TYR A 18 4.152 -6.715 13.568 1.00 0.00 C ATOM 260 C TYR A 18 3.851 -5.455 14.376 1.00 0.00 C ATOM 261 O TYR A 18 4.671 -5.013 15.181 1.00 0.00 O ATOM 262 CB TYR A 18 3.274 -7.882 14.029 1.00 0.00 C ATOM 263 CG TYR A 18 1.940 -7.956 13.313 1.00 0.00 C ATOM 264 CD1 TYR A 18 1.881 -7.938 11.924 1.00 0.00 C ATOM 265 CD2 TYR A 18 0.746 -8.054 14.018 1.00 0.00 C ATOM 266 CE1 TYR A 18 0.674 -8.015 11.258 1.00 0.00 C ATOM 267 CE2 TYR A 18 -0.466 -8.130 13.357 1.00 0.00 C ATOM 268 CZ TYR A 18 -0.497 -8.110 11.978 1.00 0.00 C ATOM 269 OH TYR A 18 -1.700 -8.192 11.314 1.00 0.00 O ATOM 0 H TYR A 18 5.741 -7.911 14.219 1.00 0.00 H new ATOM 0 HA TYR A 18 3.924 -6.504 12.523 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.814 -8.816 13.872 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.097 -7.792 15.101 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.796 -7.862 11.356 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.765 -8.071 15.098 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.648 -8.001 10.178 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.386 -8.205 13.919 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.542 -8.174 10.347 1.00 0.00 H new ATOM 279 N PHE A 19 2.665 -4.896 14.156 1.00 0.00 N ATOM 280 CA PHE A 19 2.277 -3.618 14.745 1.00 0.00 C ATOM 281 C PHE A 19 2.408 -3.622 16.262 1.00 0.00 C ATOM 282 O PHE A 19 2.293 -4.670 16.901 1.00 0.00 O ATOM 283 CB PHE A 19 0.843 -3.276 14.351 1.00 0.00 C ATOM 284 CG PHE A 19 0.630 -3.249 12.865 1.00 0.00 C ATOM 285 CD1 PHE A 19 1.186 -2.244 12.090 1.00 0.00 C ATOM 286 CD2 PHE A 19 -0.119 -4.233 12.242 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.000 -2.221 10.721 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.309 -4.216 10.874 1.00 0.00 C ATOM 289 CZ PHE A 19 0.250 -3.206 10.113 1.00 0.00 C ATOM 0 H PHE A 19 1.947 -5.315 13.565 1.00 0.00 H new ATOM 0 HA PHE A 19 2.958 -2.860 14.357 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.167 -4.006 14.796 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.580 -2.303 14.767 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.772 -1.469 12.562 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.560 -5.023 12.832 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.441 -1.433 10.128 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.893 -4.990 10.399 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.100 -3.188 9.044 1.00 0.00 H new ATOM 299 N GLN A 20 2.671 -2.432 16.815 1.00 0.00 N ATOM 300 CA GLN A 20 2.841 -2.224 18.257 1.00 0.00 C ATOM 301 C GLN A 20 4.237 -2.653 18.711 1.00 0.00 C ATOM 302 O GLN A 20 4.837 -2.024 19.581 1.00 0.00 O ATOM 303 CB GLN A 20 1.746 -2.942 19.056 1.00 0.00 C ATOM 304 CG GLN A 20 1.812 -2.714 20.556 1.00 0.00 C ATOM 305 CD GLN A 20 0.603 -3.276 21.271 1.00 0.00 C ATOM 306 OE1 GLN A 20 -0.399 -2.583 21.453 1.00 0.00 O ATOM 307 NE2 GLN A 20 0.685 -4.535 21.665 1.00 0.00 N ATOM 0 H GLN A 20 2.773 -1.577 16.267 1.00 0.00 H new ATOM 0 HA GLN A 20 2.741 -1.157 18.455 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.773 -2.612 18.693 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.813 -4.012 18.860 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.715 -3.177 20.953 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.887 -1.645 20.757 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.536 -5.069 21.492 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.103 -4.972 22.142 1.00 0.00 H new ATOM 316 N GLY A 21 4.758 -3.704 18.101 1.00 0.00 N ATOM 317 CA GLY A 21 6.113 -4.133 18.373 1.00 0.00 C ATOM 318 C GLY A 21 7.001 -3.911 17.170 1.00 0.00 C ATOM 319 O GLY A 21 7.737 -4.804 16.753 1.00 0.00 O ATOM 0 H GLY A 21 4.261 -4.273 17.416 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.508 -3.584 19.228 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.117 -5.189 18.643 1.00 0.00 H new ATOM 323 N MET A 22 6.918 -2.711 16.613 1.00 0.00 N ATOM 324 CA MET A 22 7.609 -2.387 15.374 1.00 0.00 C ATOM 325 C MET A 22 8.957 -1.732 15.656 1.00 0.00 C ATOM 326 O MET A 22 9.344 -1.557 16.811 1.00 0.00 O ATOM 327 CB MET A 22 6.743 -1.455 14.524 1.00 0.00 C ATOM 328 CG MET A 22 5.343 -1.992 14.272 1.00 0.00 C ATOM 329 SD MET A 22 4.309 -0.854 13.331 1.00 0.00 S ATOM 330 CE MET A 22 5.136 -0.884 11.744 1.00 0.00 C ATOM 0 H MET A 22 6.375 -1.941 17.003 1.00 0.00 H new ATOM 0 HA MET A 22 7.787 -3.313 14.828 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.669 -0.487 15.020 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.236 -1.285 13.567 1.00 0.00 H new ATOM 0 HG2 MET A 22 5.414 -2.938 13.735 1.00 0.00 H new ATOM 0 HG3 MET A 22 4.864 -2.203 15.228 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.529 -0.357 11.007 1.00 0.00 H new ATOM 0 HE2 MET A 22 6.107 -0.396 11.830 1.00 0.00 H new ATOM 0 HE3 MET A 22 5.276 -1.917 11.426 1.00 0.00 H new ATOM 340 N THR A 23 9.665 -1.370 14.596 1.00 0.00 N ATOM 341 CA THR A 23 10.972 -0.754 14.723 1.00 0.00 C ATOM 342 C THR A 23 11.297 0.049 13.460 1.00 0.00 C ATOM 343 O THR A 23 10.410 0.317 12.646 1.00 0.00 O ATOM 344 CB THR A 23 12.066 -1.820 14.987 1.00 0.00 C ATOM 345 OG1 THR A 23 13.320 -1.193 15.300 1.00 0.00 O ATOM 346 CG2 THR A 23 12.245 -2.733 13.780 1.00 0.00 C ATOM 0 H THR A 23 9.351 -1.495 13.634 1.00 0.00 H new ATOM 0 HA THR A 23 10.953 -0.077 15.577 1.00 0.00 H new ATOM 0 HB THR A 23 11.741 -2.420 15.837 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.155 -0.332 15.738 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.018 -3.471 13.993 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.306 -3.243 13.567 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.539 -2.139 12.915 1.00 0.00 H new ATOM 354 N ASP A 24 12.563 0.418 13.310 1.00 0.00 N ATOM 355 CA ASP A 24 13.025 1.260 12.209 1.00 0.00 C ATOM 356 C ASP A 24 12.646 0.693 10.842 1.00 0.00 C ATOM 357 O ASP A 24 11.961 1.353 10.058 1.00 0.00 O ATOM 358 CB ASP A 24 14.544 1.427 12.289 1.00 0.00 C ATOM 359 CG ASP A 24 15.094 2.300 11.178 1.00 0.00 C ATOM 360 OD1 ASP A 24 15.168 3.532 11.374 1.00 0.00 O ATOM 361 OD2 ASP A 24 15.464 1.756 10.114 1.00 0.00 O ATOM 0 H ASP A 24 13.305 0.140 13.953 1.00 0.00 H new ATOM 0 HA ASP A 24 12.531 2.226 12.312 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.808 1.863 13.253 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.017 0.446 12.243 1.00 0.00 H new ATOM 366 N THR A 25 13.092 -0.525 10.564 1.00 0.00 N ATOM 367 CA THR A 25 12.887 -1.140 9.258 1.00 0.00 C ATOM 368 C THR A 25 11.398 -1.322 8.950 1.00 0.00 C ATOM 369 O THR A 25 10.965 -1.130 7.814 1.00 0.00 O ATOM 370 CB THR A 25 13.606 -2.501 9.182 1.00 0.00 C ATOM 371 OG1 THR A 25 14.944 -2.367 9.691 1.00 0.00 O ATOM 372 CG2 THR A 25 13.660 -3.009 7.752 1.00 0.00 C ATOM 0 H THR A 25 13.600 -1.109 11.228 1.00 0.00 H new ATOM 0 HA THR A 25 13.310 -0.468 8.511 1.00 0.00 H new ATOM 0 HB THR A 25 13.048 -3.218 9.784 1.00 0.00 H new ATOM 0 HG1 THR A 25 15.400 -3.233 9.644 1.00 0.00 H new ATOM 0 HG21 THR A 25 14.172 -3.971 7.727 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.646 -3.128 7.370 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.200 -2.294 7.132 1.00 0.00 H new ATOM 380 N ALA A 26 10.618 -1.645 9.981 1.00 0.00 N ATOM 381 CA ALA A 26 9.181 -1.876 9.829 1.00 0.00 C ATOM 382 C ALA A 26 8.481 -0.680 9.187 1.00 0.00 C ATOM 383 O ALA A 26 7.536 -0.837 8.415 1.00 0.00 O ATOM 384 CB ALA A 26 8.551 -2.179 11.182 1.00 0.00 C ATOM 0 H ALA A 26 10.959 -1.753 10.936 1.00 0.00 H new ATOM 0 HA ALA A 26 9.054 -2.733 9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.482 -2.349 11.056 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.012 -3.070 11.607 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.707 -1.335 11.853 1.00 0.00 H new ATOM 390 N ALA A 27 8.957 0.515 9.501 1.00 0.00 N ATOM 391 CA ALA A 27 8.363 1.736 8.977 1.00 0.00 C ATOM 392 C ALA A 27 8.634 1.885 7.483 1.00 0.00 C ATOM 393 O ALA A 27 7.789 2.367 6.730 1.00 0.00 O ATOM 394 CB ALA A 27 8.901 2.945 9.730 1.00 0.00 C ATOM 0 H ALA A 27 9.755 0.666 10.118 1.00 0.00 H new ATOM 0 HA ALA A 27 7.284 1.675 9.120 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.450 3.853 9.330 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.655 2.854 10.788 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.983 2.995 9.612 1.00 0.00 H new ATOM 400 N GLU A 28 9.807 1.441 7.061 1.00 0.00 N ATOM 401 CA GLU A 28 10.250 1.633 5.690 1.00 0.00 C ATOM 402 C GLU A 28 9.523 0.678 4.742 1.00 0.00 C ATOM 403 O GLU A 28 9.185 1.045 3.619 1.00 0.00 O ATOM 404 CB GLU A 28 11.763 1.417 5.594 1.00 0.00 C ATOM 405 CG GLU A 28 12.396 2.010 4.343 1.00 0.00 C ATOM 406 CD GLU A 28 12.364 3.528 4.338 1.00 0.00 C ATOM 407 OE1 GLU A 28 13.178 4.144 5.060 1.00 0.00 O ATOM 408 OE2 GLU A 28 11.538 4.110 3.612 1.00 0.00 O ATOM 0 H GLU A 28 10.472 0.943 7.652 1.00 0.00 H new ATOM 0 HA GLU A 28 10.013 2.655 5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.238 1.855 6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.969 0.347 5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.429 1.671 4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.873 1.636 3.463 1.00 0.00 H new ATOM 415 N ASP A 29 9.277 -0.545 5.201 1.00 0.00 N ATOM 416 CA ASP A 29 8.620 -1.556 4.372 1.00 0.00 C ATOM 417 C ASP A 29 7.139 -1.255 4.174 1.00 0.00 C ATOM 418 O ASP A 29 6.597 -1.486 3.092 1.00 0.00 O ATOM 419 CB ASP A 29 8.817 -2.953 4.958 1.00 0.00 C ATOM 420 CG ASP A 29 10.199 -3.496 4.646 1.00 0.00 C ATOM 421 OD1 ASP A 29 10.408 -3.967 3.505 1.00 0.00 O ATOM 422 OD2 ASP A 29 11.082 -3.432 5.525 1.00 0.00 O ATOM 0 H ASP A 29 9.521 -0.862 6.139 1.00 0.00 H new ATOM 0 HA ASP A 29 9.091 -1.525 3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.673 -2.919 6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.061 -3.627 4.556 1.00 0.00 H new ATOM 427 N VAL A 30 6.483 -0.724 5.199 1.00 0.00 N ATOM 428 CA VAL A 30 5.089 -0.307 5.060 1.00 0.00 C ATOM 429 C VAL A 30 5.006 0.901 4.126 1.00 0.00 C ATOM 430 O VAL A 30 4.109 1.003 3.288 1.00 0.00 O ATOM 431 CB VAL A 30 4.450 0.036 6.426 1.00 0.00 C ATOM 432 CG1 VAL A 30 2.995 0.450 6.261 1.00 0.00 C ATOM 433 CG2 VAL A 30 4.554 -1.150 7.372 1.00 0.00 C ATOM 0 H VAL A 30 6.885 -0.573 6.124 1.00 0.00 H new ATOM 0 HA VAL A 30 4.530 -1.142 4.638 1.00 0.00 H new ATOM 0 HB VAL A 30 4.997 0.877 6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.571 0.685 7.237 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.937 1.329 5.619 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.433 -0.367 5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.100 -0.893 8.329 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.034 -2.006 6.942 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.603 -1.403 7.525 1.00 0.00 H new ATOM 443 N ARG A 31 5.976 1.795 4.269 1.00 0.00 N ATOM 444 CA ARG A 31 6.120 2.953 3.390 1.00 0.00 C ATOM 445 C ARG A 31 6.354 2.498 1.946 1.00 0.00 C ATOM 446 O ARG A 31 5.846 3.095 0.995 1.00 0.00 O ATOM 447 CB ARG A 31 7.300 3.792 3.887 1.00 0.00 C ATOM 448 CG ARG A 31 7.614 5.022 3.056 1.00 0.00 C ATOM 449 CD ARG A 31 8.865 5.701 3.582 1.00 0.00 C ATOM 450 NE ARG A 31 9.150 6.970 2.913 1.00 0.00 N ATOM 451 CZ ARG A 31 10.377 7.474 2.787 1.00 0.00 C ATOM 452 NH1 ARG A 31 11.432 6.753 3.155 1.00 0.00 N ATOM 453 NH2 ARG A 31 10.552 8.682 2.260 1.00 0.00 N ATOM 0 H ARG A 31 6.687 1.739 4.998 1.00 0.00 H new ATOM 0 HA ARG A 31 5.209 3.551 3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.096 4.107 4.910 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.187 3.159 3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.756 4.739 2.013 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.774 5.716 3.087 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.754 5.877 4.652 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.716 5.031 3.456 1.00 0.00 H new ATOM 0 HE ARG A 31 8.369 7.497 2.522 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.302 5.815 3.533 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.372 7.138 3.059 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.746 9.225 1.951 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.492 9.065 2.165 1.00 0.00 H new ATOM 467 N LYS A 32 7.123 1.428 1.813 1.00 0.00 N ATOM 468 CA LYS A 32 7.440 0.827 0.526 1.00 0.00 C ATOM 469 C LYS A 32 6.167 0.407 -0.206 1.00 0.00 C ATOM 470 O LYS A 32 6.017 0.654 -1.405 1.00 0.00 O ATOM 471 CB LYS A 32 8.342 -0.382 0.772 1.00 0.00 C ATOM 472 CG LYS A 32 8.836 -1.089 -0.478 1.00 0.00 C ATOM 473 CD LYS A 32 9.681 -2.301 -0.109 1.00 0.00 C ATOM 474 CE LYS A 32 10.858 -1.902 0.766 1.00 0.00 C ATOM 475 NZ LYS A 32 11.542 -3.078 1.367 1.00 0.00 N ATOM 0 H LYS A 32 7.550 0.947 2.605 1.00 0.00 H new ATOM 0 HA LYS A 32 7.953 1.554 -0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.206 -0.058 1.351 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.799 -1.101 1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.987 -1.402 -1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.424 -0.400 -1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.065 -3.031 0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.045 -2.784 -1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.573 -1.334 0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.509 -1.243 1.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.386 -2.761 1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.894 -3.559 2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.825 -3.737 0.614 1.00 0.00 H new ATOM 489 N ILE A 33 5.246 -0.210 0.532 1.00 0.00 N ATOM 490 CA ILE A 33 3.971 -0.647 -0.031 1.00 0.00 C ATOM 491 C ILE A 33 3.185 0.548 -0.561 1.00 0.00 C ATOM 492 O ILE A 33 2.671 0.522 -1.681 1.00 0.00 O ATOM 493 CB ILE A 33 3.108 -1.383 1.018 1.00 0.00 C ATOM 494 CG1 ILE A 33 3.893 -2.529 1.655 1.00 0.00 C ATOM 495 CG2 ILE A 33 1.827 -1.910 0.378 1.00 0.00 C ATOM 496 CD1 ILE A 33 3.157 -3.197 2.794 1.00 0.00 C ATOM 0 H ILE A 33 5.360 -0.419 1.524 1.00 0.00 H new ATOM 0 HA ILE A 33 4.199 -1.335 -0.845 1.00 0.00 H new ATOM 0 HB ILE A 33 2.841 -0.673 1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.120 -3.273 0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.846 -2.148 2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.230 -2.426 1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.255 -1.077 -0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.080 -2.604 -0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.770 -4.001 3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.954 -2.464 3.575 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.216 -3.608 2.428 1.00 0.00 H new ATOM 508 N ALA A 34 3.119 1.599 0.250 1.00 0.00 N ATOM 509 CA ALA A 34 2.385 2.809 -0.101 1.00 0.00 C ATOM 510 C ALA A 34 2.961 3.469 -1.352 1.00 0.00 C ATOM 511 O ALA A 34 2.236 4.077 -2.136 1.00 0.00 O ATOM 512 CB ALA A 34 2.390 3.780 1.072 1.00 0.00 C ATOM 0 H ALA A 34 3.570 1.636 1.164 1.00 0.00 H new ATOM 0 HA ALA A 34 1.355 2.529 -0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.840 4.681 0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.916 3.311 1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.418 4.044 1.321 1.00 0.00 H new ATOM 518 N THR A 35 4.265 3.335 -1.538 1.00 0.00 N ATOM 519 CA THR A 35 4.939 3.951 -2.670 1.00 0.00 C ATOM 520 C THR A 35 4.599 3.232 -3.980 1.00 0.00 C ATOM 521 O THR A 35 4.475 3.859 -5.034 1.00 0.00 O ATOM 522 CB THR A 35 6.465 3.959 -2.454 1.00 0.00 C ATOM 523 OG1 THR A 35 6.772 4.564 -1.188 1.00 0.00 O ATOM 524 CG2 THR A 35 7.177 4.721 -3.563 1.00 0.00 C ATOM 0 H THR A 35 4.878 2.805 -0.919 1.00 0.00 H new ATOM 0 HA THR A 35 4.586 4.980 -2.744 1.00 0.00 H new ATOM 0 HB THR A 35 6.813 2.926 -2.468 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.449 3.989 -0.464 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.252 4.708 -3.381 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.966 4.249 -4.523 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.824 5.752 -3.580 1.00 0.00 H new ATOM 532 N ALA A 36 4.423 1.915 -3.901 1.00 0.00 N ATOM 533 CA ALA A 36 4.075 1.110 -5.070 1.00 0.00 C ATOM 534 C ALA A 36 2.716 1.514 -5.634 1.00 0.00 C ATOM 535 O ALA A 36 2.458 1.362 -6.827 1.00 0.00 O ATOM 536 CB ALA A 36 4.082 -0.369 -4.710 1.00 0.00 C ATOM 0 H ALA A 36 4.516 1.381 -3.037 1.00 0.00 H new ATOM 0 HA ALA A 36 4.824 1.290 -5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.821 -0.959 -5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.075 -0.654 -4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.355 -0.555 -3.920 1.00 0.00 H new ATOM 542 N LEU A 37 1.866 2.056 -4.766 1.00 0.00 N ATOM 543 CA LEU A 37 0.505 2.423 -5.133 1.00 0.00 C ATOM 544 C LEU A 37 0.483 3.503 -6.211 1.00 0.00 C ATOM 545 O LEU A 37 -0.443 3.568 -7.017 1.00 0.00 O ATOM 546 CB LEU A 37 -0.256 2.914 -3.899 1.00 0.00 C ATOM 547 CG LEU A 37 -0.185 1.989 -2.683 1.00 0.00 C ATOM 548 CD1 LEU A 37 -1.024 2.546 -1.543 1.00 0.00 C ATOM 549 CD2 LEU A 37 -0.644 0.585 -3.044 1.00 0.00 C ATOM 0 H LEU A 37 2.102 2.252 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 37 0.021 1.534 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.134 3.892 -3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.303 3.054 -4.169 1.00 0.00 H new ATOM 0 HG LEU A 37 0.853 1.934 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.963 1.876 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.649 3.530 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.062 2.631 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.585 -0.055 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.674 0.619 -3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.003 0.183 -3.828 1.00 0.00 H new ATOM 561 N LEU A 38 1.503 4.343 -6.227 1.00 0.00 N ATOM 562 CA LEU A 38 1.576 5.419 -7.205 1.00 0.00 C ATOM 563 C LEU A 38 1.826 4.861 -8.602 1.00 0.00 C ATOM 564 O LEU A 38 1.368 5.429 -9.598 1.00 0.00 O ATOM 565 CB LEU A 38 2.675 6.428 -6.839 1.00 0.00 C ATOM 566 CG LEU A 38 2.370 7.362 -5.657 1.00 0.00 C ATOM 567 CD1 LEU A 38 1.027 8.049 -5.848 1.00 0.00 C ATOM 568 CD2 LEU A 38 2.407 6.612 -4.334 1.00 0.00 C ATOM 0 H LEU A 38 2.289 4.303 -5.578 1.00 0.00 H new ATOM 0 HA LEU A 38 0.617 5.937 -7.198 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.587 5.875 -6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.883 7.041 -7.716 1.00 0.00 H new ATOM 0 HG LEU A 38 3.147 8.126 -5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.830 8.705 -5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.046 8.637 -6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.240 7.298 -5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.187 7.301 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.663 5.815 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.397 6.181 -4.188 1.00 0.00 H new ATOM 580 N LYS A 39 2.545 3.749 -8.670 1.00 0.00 N ATOM 581 CA LYS A 39 2.889 3.135 -9.937 1.00 0.00 C ATOM 582 C LYS A 39 1.871 2.082 -10.356 1.00 0.00 C ATOM 583 O LYS A 39 1.281 2.166 -11.432 1.00 0.00 O ATOM 584 CB LYS A 39 4.272 2.495 -9.849 1.00 0.00 C ATOM 585 CG LYS A 39 5.408 3.494 -9.730 1.00 0.00 C ATOM 586 CD LYS A 39 6.761 2.824 -9.915 1.00 0.00 C ATOM 587 CE LYS A 39 6.891 2.188 -11.295 1.00 0.00 C ATOM 588 NZ LYS A 39 6.726 3.184 -12.392 1.00 0.00 N ATOM 0 H LYS A 39 2.902 3.253 -7.853 1.00 0.00 H new ATOM 0 HA LYS A 39 2.889 3.923 -10.690 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.298 1.827 -8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.434 1.880 -10.735 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.284 4.278 -10.477 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.370 3.975 -8.753 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.553 3.560 -9.777 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.897 2.061 -9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.867 1.712 -11.383 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.142 1.403 -11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.020 2.758 -13.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.728 3.471 -12.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.315 4.018 -12.195 1.00 0.00 H new ATOM 602 N THR A 40 1.667 1.094 -9.499 1.00 0.00 N ATOM 603 CA THR A 40 0.904 -0.088 -9.871 1.00 0.00 C ATOM 604 C THR A 40 -0.377 -0.219 -9.040 1.00 0.00 C ATOM 605 O THR A 40 -0.743 -1.308 -8.604 1.00 0.00 O ATOM 606 CB THR A 40 1.776 -1.351 -9.705 1.00 0.00 C ATOM 607 OG1 THR A 40 3.124 -1.059 -10.106 1.00 0.00 O ATOM 608 CG2 THR A 40 1.244 -2.502 -10.552 1.00 0.00 C ATOM 0 H THR A 40 2.019 1.087 -8.542 1.00 0.00 H new ATOM 0 HA THR A 40 0.612 0.017 -10.916 1.00 0.00 H new ATOM 0 HB THR A 40 1.748 -1.648 -8.657 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.594 -1.895 -10.307 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.878 -3.378 -10.415 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.226 -2.739 -10.245 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.248 -2.212 -11.603 1.00 0.00 H new ATOM 616 N ALA A 41 -1.049 0.900 -8.815 1.00 0.00 N ATOM 617 CA ALA A 41 -2.361 0.885 -8.179 1.00 0.00 C ATOM 618 C ALA A 41 -3.268 1.926 -8.817 1.00 0.00 C ATOM 619 O ALA A 41 -4.258 2.357 -8.222 1.00 0.00 O ATOM 620 CB ALA A 41 -2.250 1.118 -6.683 1.00 0.00 C ATOM 0 H ALA A 41 -0.709 1.829 -9.062 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.799 -0.102 -8.330 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.245 1.101 -6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.639 0.333 -6.237 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.786 2.087 -6.499 1.00 0.00 H new ATOM 626 N ILE A 42 -2.919 2.314 -10.034 1.00 0.00 N ATOM 627 CA ILE A 42 -3.714 3.251 -10.813 1.00 0.00 C ATOM 628 C ILE A 42 -4.047 2.614 -12.155 1.00 0.00 C ATOM 629 O ILE A 42 -3.163 2.428 -12.993 1.00 0.00 O ATOM 630 CB ILE A 42 -2.963 4.585 -11.050 1.00 0.00 C ATOM 631 CG1 ILE A 42 -2.574 5.235 -9.718 1.00 0.00 C ATOM 632 CG2 ILE A 42 -3.811 5.541 -11.876 1.00 0.00 C ATOM 633 CD1 ILE A 42 -3.756 5.613 -8.846 1.00 0.00 C ATOM 0 H ILE A 42 -2.077 1.988 -10.509 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.623 3.476 -10.255 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.051 4.364 -11.605 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.932 4.549 -9.165 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.985 6.129 -9.921 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.265 6.471 -12.031 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.035 5.087 -12.841 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.742 5.750 -11.349 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.396 6.067 -7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.388 6.325 -9.378 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.335 4.720 -8.610 1.00 0.00 H new ATOM 645 N GLU A 43 -5.306 2.261 -12.346 1.00 0.00 N ATOM 646 CA GLU A 43 -5.707 1.501 -13.519 1.00 0.00 C ATOM 647 C GLU A 43 -6.516 2.340 -14.502 1.00 0.00 C ATOM 648 O GLU A 43 -7.059 3.394 -14.161 1.00 0.00 O ATOM 649 CB GLU A 43 -6.511 0.256 -13.116 1.00 0.00 C ATOM 650 CG GLU A 43 -7.724 0.541 -12.239 1.00 0.00 C ATOM 651 CD GLU A 43 -7.353 0.836 -10.799 1.00 0.00 C ATOM 652 OE1 GLU A 43 -7.075 -0.117 -10.051 1.00 0.00 O ATOM 653 OE2 GLU A 43 -7.332 2.021 -10.403 1.00 0.00 O ATOM 0 H GLU A 43 -6.067 2.487 -11.706 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.789 1.192 -14.019 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.844 -0.253 -14.020 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.851 -0.432 -12.588 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.272 1.390 -12.649 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.397 -0.316 -12.268 1.00 0.00 H new ATOM 660 N ILE A 44 -6.585 1.847 -15.728 1.00 0.00 N ATOM 661 CA ILE A 44 -7.352 2.483 -16.779 1.00 0.00 C ATOM 662 C ILE A 44 -8.431 1.527 -17.283 1.00 0.00 C ATOM 663 O ILE A 44 -8.146 0.384 -17.647 1.00 0.00 O ATOM 664 CB ILE A 44 -6.425 2.953 -17.939 1.00 0.00 C ATOM 665 CG1 ILE A 44 -7.222 3.566 -19.107 1.00 0.00 C ATOM 666 CG2 ILE A 44 -5.539 1.811 -18.425 1.00 0.00 C ATOM 667 CD1 ILE A 44 -7.679 2.572 -20.161 1.00 0.00 C ATOM 0 H ILE A 44 -6.109 0.993 -16.020 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.838 3.370 -16.373 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.785 3.740 -17.539 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.098 4.074 -18.703 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.607 4.326 -19.588 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.901 2.165 -19.235 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.918 1.457 -17.602 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.164 0.994 -18.786 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.231 3.097 -20.941 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.810 2.081 -20.599 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.325 1.824 -19.700 1.00 0.00 H new ATOM 679 N VAL A 45 -9.671 1.987 -17.279 1.00 0.00 N ATOM 680 CA VAL A 45 -10.778 1.175 -17.738 1.00 0.00 C ATOM 681 C VAL A 45 -11.076 1.466 -19.205 1.00 0.00 C ATOM 682 O VAL A 45 -11.186 2.625 -19.619 1.00 0.00 O ATOM 683 CB VAL A 45 -12.050 1.386 -16.880 1.00 0.00 C ATOM 684 CG1 VAL A 45 -11.827 0.861 -15.468 1.00 0.00 C ATOM 685 CG2 VAL A 45 -12.457 2.854 -16.844 1.00 0.00 C ATOM 0 H VAL A 45 -9.933 2.920 -16.962 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.482 0.131 -17.631 1.00 0.00 H new ATOM 0 HB VAL A 45 -12.864 0.826 -17.341 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.729 1.016 -14.876 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.597 -0.204 -15.508 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.995 1.395 -15.008 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.353 2.968 -16.234 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.648 3.445 -16.415 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.662 3.200 -17.857 1.00 0.00 H new ATOM 772 N HIS A 53 -10.363 5.401 -19.966 1.00 0.00 N ATOM 773 CA HIS A 53 -10.501 6.259 -18.799 1.00 0.00 C ATOM 774 C HIS A 53 -9.618 5.774 -17.666 1.00 0.00 C ATOM 775 O HIS A 53 -9.792 4.664 -17.174 1.00 0.00 O ATOM 776 CB HIS A 53 -11.955 6.309 -18.326 1.00 0.00 C ATOM 777 CG HIS A 53 -12.832 7.123 -19.215 1.00 0.00 C ATOM 778 ND1 HIS A 53 -13.169 8.429 -18.938 1.00 0.00 N ATOM 779 CD2 HIS A 53 -13.423 6.823 -20.392 1.00 0.00 C ATOM 780 CE1 HIS A 53 -13.925 8.898 -19.910 1.00 0.00 C ATOM 781 NE2 HIS A 53 -14.094 7.943 -20.804 1.00 0.00 N ATOM 0 HA HIS A 53 -10.189 7.262 -19.090 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -12.347 5.294 -18.269 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -11.989 6.720 -17.317 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -13.375 5.877 -20.911 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.336 9.895 -19.965 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -14.637 8.026 -21.664 1.00 0.00 H new ATOM 790 N ASN A 54 -8.676 6.601 -17.251 1.00 0.00 N ATOM 791 CA ASN A 54 -7.840 6.274 -16.107 1.00 0.00 C ATOM 792 C ASN A 54 -8.620 6.618 -14.850 1.00 0.00 C ATOM 793 O ASN A 54 -8.792 7.787 -14.520 1.00 0.00 O ATOM 794 CB ASN A 54 -6.528 7.066 -16.168 1.00 0.00 C ATOM 795 CG ASN A 54 -5.550 6.678 -15.077 1.00 0.00 C ATOM 796 OD1 ASN A 54 -5.635 7.345 -13.935 1.00 0.00 O flip ATOM 797 ND2 ASN A 54 -4.721 5.792 -15.262 1.00 0.00 N flip ATOM 0 H ASN A 54 -8.470 7.500 -17.686 1.00 0.00 H new ATOM 0 HA ASN A 54 -7.585 5.214 -16.108 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.060 6.909 -17.140 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.749 8.130 -16.089 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.689 5.302 -16.156 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.064 5.545 -14.521 1.00 0.00 H new ATOM 804 N GLN A 55 -9.112 5.608 -14.156 1.00 0.00 N ATOM 805 CA GLN A 55 -10.112 5.837 -13.127 1.00 0.00 C ATOM 806 C GLN A 55 -9.675 5.295 -11.779 1.00 0.00 C ATOM 807 O GLN A 55 -9.200 4.170 -11.669 1.00 0.00 O ATOM 808 CB GLN A 55 -11.443 5.207 -13.542 1.00 0.00 C ATOM 809 CG GLN A 55 -12.564 5.426 -12.537 1.00 0.00 C ATOM 810 CD GLN A 55 -13.862 4.764 -12.950 1.00 0.00 C ATOM 811 OE1 GLN A 55 -14.695 5.366 -13.629 1.00 0.00 O ATOM 812 NE2 GLN A 55 -14.046 3.522 -12.540 1.00 0.00 N ATOM 0 H GLN A 55 -8.841 4.633 -14.283 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.236 6.915 -13.021 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.745 5.619 -14.505 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.299 4.136 -13.684 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.256 5.037 -11.566 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.731 6.496 -12.413 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.331 3.059 -11.979 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.903 3.026 -12.784 1.00 0.00 H new ATOM 821 N CYS A 56 -9.858 6.107 -10.752 1.00 0.00 N ATOM 822 CA CYS A 56 -9.570 5.687 -9.398 1.00 0.00 C ATOM 823 C CYS A 56 -10.740 4.880 -8.842 1.00 0.00 C ATOM 824 O CYS A 56 -11.837 5.409 -8.642 1.00 0.00 O ATOM 825 CB CYS A 56 -9.268 6.902 -8.520 1.00 0.00 C ATOM 826 SG CYS A 56 -10.443 8.266 -8.708 1.00 0.00 S ATOM 0 H CYS A 56 -10.206 7.062 -10.834 1.00 0.00 H new ATOM 0 HA CYS A 56 -8.687 5.048 -9.401 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.258 6.588 -7.476 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -8.267 7.265 -8.754 1.00 0.00 H new ATOM 0 HG CYS A 56 -10.652 8.488 -9.972 1.00 0.00 H new ATOM 832 N LYS A 57 -10.492 3.596 -8.609 1.00 0.00 N ATOM 833 CA LYS A 57 -11.525 2.659 -8.147 1.00 0.00 C ATOM 834 C LYS A 57 -12.112 3.045 -6.786 1.00 0.00 C ATOM 835 O LYS A 57 -13.162 2.538 -6.397 1.00 0.00 O ATOM 836 CB LYS A 57 -10.994 1.212 -8.108 1.00 0.00 C ATOM 837 CG LYS A 57 -9.474 1.077 -8.087 1.00 0.00 C ATOM 838 CD LYS A 57 -8.858 1.635 -6.817 1.00 0.00 C ATOM 839 CE LYS A 57 -7.450 2.158 -7.055 1.00 0.00 C ATOM 840 NZ LYS A 57 -6.617 1.210 -7.837 1.00 0.00 N ATOM 0 H LYS A 57 -9.573 3.170 -8.733 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.333 2.718 -8.876 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.399 0.717 -7.225 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.378 0.678 -8.977 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.205 0.025 -8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.054 1.596 -8.949 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.484 2.440 -6.432 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.833 0.858 -6.053 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.504 3.110 -7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.971 2.352 -6.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.615 1.471 -7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.758 0.245 -7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.894 1.249 -8.839 1.00 0.00 H new ATOM 854 N LEU A 58 -11.454 3.946 -6.073 1.00 0.00 N ATOM 855 CA LEU A 58 -11.985 4.442 -4.815 1.00 0.00 C ATOM 856 C LEU A 58 -11.732 5.933 -4.689 1.00 0.00 C ATOM 857 O LEU A 58 -10.686 6.371 -4.212 1.00 0.00 O ATOM 858 CB LEU A 58 -11.424 3.676 -3.605 1.00 0.00 C ATOM 859 CG LEU A 58 -10.111 2.910 -3.820 1.00 0.00 C ATOM 860 CD1 LEU A 58 -8.925 3.850 -3.969 1.00 0.00 C ATOM 861 CD2 LEU A 58 -9.874 1.956 -2.666 1.00 0.00 C ATOM 0 H LEU A 58 -10.556 4.347 -6.343 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.061 4.270 -4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.274 4.387 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.181 2.966 -3.271 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.205 2.346 -4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.016 3.268 -4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.084 4.503 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.824 4.454 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.941 1.416 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.812 2.519 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.698 1.245 -2.606 1.00 0.00 H new ATOM 873 N CYS A 59 -12.715 6.687 -5.153 1.00 0.00 N ATOM 874 CA CYS A 59 -12.717 8.137 -5.130 1.00 0.00 C ATOM 875 C CYS A 59 -13.869 8.595 -6.005 1.00 0.00 C ATOM 876 O CYS A 59 -14.584 9.545 -5.681 1.00 0.00 O ATOM 877 CB CYS A 59 -11.395 8.712 -5.649 1.00 0.00 C ATOM 878 SG CYS A 59 -11.261 10.506 -5.525 1.00 0.00 S ATOM 0 H CYS A 59 -13.559 6.293 -5.569 1.00 0.00 H new ATOM 0 HA CYS A 59 -12.832 8.492 -4.106 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.573 8.260 -5.094 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.272 8.422 -6.693 1.00 0.00 H new ATOM 0 HG CYS A 59 -12.450 11.031 -5.524 1.00 0.00 H new ATOM 884 N GLY A 60 -14.065 7.870 -7.105 1.00 0.00 N ATOM 885 CA GLY A 60 -15.189 8.139 -7.987 1.00 0.00 C ATOM 886 C GLY A 60 -14.878 9.201 -9.018 1.00 0.00 C ATOM 887 O GLY A 60 -15.781 9.860 -9.530 1.00 0.00 O ATOM 0 H GLY A 60 -13.465 7.100 -7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.476 7.218 -8.495 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.046 8.455 -7.392 1.00 0.00 H new ATOM 891 N ALA A 61 -13.602 9.366 -9.324 1.00 0.00 N ATOM 892 CA ALA A 61 -13.178 10.379 -10.282 1.00 0.00 C ATOM 893 C ALA A 61 -12.442 9.752 -11.462 1.00 0.00 C ATOM 894 O ALA A 61 -11.759 8.734 -11.311 1.00 0.00 O ATOM 895 CB ALA A 61 -12.302 11.416 -9.600 1.00 0.00 C ATOM 0 H ALA A 61 -12.842 8.815 -8.926 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.070 10.871 -10.669 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.993 12.166 -10.328 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.864 11.897 -8.799 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.420 10.930 -9.183 1.00 0.00 H new ATOM 901 N SER A 62 -12.588 10.358 -12.633 1.00 0.00 N ATOM 902 CA SER A 62 -11.905 9.886 -13.828 1.00 0.00 C ATOM 903 C SER A 62 -10.776 10.839 -14.209 1.00 0.00 C ATOM 904 O SER A 62 -10.976 12.045 -14.338 1.00 0.00 O ATOM 905 CB SER A 62 -12.894 9.740 -14.993 1.00 0.00 C ATOM 906 OG SER A 62 -12.273 9.173 -16.143 1.00 0.00 O ATOM 0 H SER A 62 -13.175 11.179 -12.780 1.00 0.00 H new ATOM 0 HA SER A 62 -11.477 8.907 -13.613 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.730 9.113 -14.684 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.305 10.717 -15.246 1.00 0.00 H new ATOM 0 HG SER A 62 -12.939 9.062 -16.853 1.00 0.00 H new ATOM 912 N VAL A 63 -9.594 10.279 -14.382 1.00 0.00 N ATOM 913 CA VAL A 63 -8.419 11.034 -14.780 1.00 0.00 C ATOM 914 C VAL A 63 -8.165 10.828 -16.272 1.00 0.00 C ATOM 915 O VAL A 63 -8.377 9.727 -16.789 1.00 0.00 O ATOM 916 CB VAL A 63 -7.180 10.579 -13.963 1.00 0.00 C ATOM 917 CG1 VAL A 63 -5.929 11.348 -14.360 1.00 0.00 C ATOM 918 CG2 VAL A 63 -7.441 10.723 -12.471 1.00 0.00 C ATOM 0 H VAL A 63 -9.420 9.283 -14.250 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.592 12.092 -14.583 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.007 9.527 -14.191 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.084 11.000 -13.766 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.721 11.184 -15.417 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.084 12.412 -14.182 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.561 10.399 -11.915 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.654 11.766 -12.238 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.295 10.107 -12.190 1.00 0.00 H new ATOM 928 N PRO A 64 -7.755 11.886 -16.996 1.00 0.00 N ATOM 929 CA PRO A 64 -7.390 11.780 -18.410 1.00 0.00 C ATOM 930 C PRO A 64 -6.343 10.697 -18.653 1.00 0.00 C ATOM 931 O PRO A 64 -5.368 10.581 -17.909 1.00 0.00 O ATOM 932 CB PRO A 64 -6.822 13.167 -18.754 1.00 0.00 C ATOM 933 CG PRO A 64 -6.617 13.854 -17.442 1.00 0.00 C ATOM 934 CD PRO A 64 -7.631 13.266 -16.508 1.00 0.00 C ATOM 0 HA PRO A 64 -8.244 11.500 -19.027 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.884 13.081 -19.302 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.511 13.727 -19.386 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.605 13.693 -17.071 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.754 14.931 -17.539 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.295 13.301 -15.472 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.581 13.799 -16.553 1.00 0.00 H new ATOM 942 N TRP A 65 -6.565 9.898 -19.688 1.00 0.00 N ATOM 943 CA TRP A 65 -5.648 8.823 -20.048 1.00 0.00 C ATOM 944 C TRP A 65 -4.280 9.387 -20.433 1.00 0.00 C ATOM 945 O TRP A 65 -4.193 10.469 -21.025 1.00 0.00 O ATOM 946 CB TRP A 65 -6.256 7.986 -21.187 1.00 0.00 C ATOM 947 CG TRP A 65 -5.334 6.962 -21.784 1.00 0.00 C ATOM 948 CD1 TRP A 65 -5.064 6.795 -23.112 1.00 0.00 C ATOM 949 CD2 TRP A 65 -4.562 5.969 -21.090 1.00 0.00 C ATOM 950 NE1 TRP A 65 -4.176 5.763 -23.288 1.00 0.00 N ATOM 951 CE2 TRP A 65 -3.851 5.242 -22.065 1.00 0.00 C ATOM 952 CE3 TRP A 65 -4.400 5.624 -19.743 1.00 0.00 C ATOM 953 CZ2 TRP A 65 -2.995 4.195 -21.738 1.00 0.00 C ATOM 954 CZ3 TRP A 65 -3.547 4.584 -19.420 1.00 0.00 C ATOM 955 CH2 TRP A 65 -2.855 3.880 -20.414 1.00 0.00 C ATOM 0 H TRP A 65 -7.379 9.975 -20.298 1.00 0.00 H new ATOM 0 HA TRP A 65 -5.498 8.173 -19.186 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.144 7.478 -20.810 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.586 8.660 -21.977 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -5.488 7.389 -23.908 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.817 5.437 -24.185 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.931 6.160 -18.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.460 3.650 -22.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -3.412 4.310 -18.384 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.197 3.072 -20.129 1.00 0.00 H new ATOM 966 N LEU A 66 -3.228 8.645 -20.068 1.00 0.00 N ATOM 967 CA LEU A 66 -1.837 9.044 -20.299 1.00 0.00 C ATOM 968 C LEU A 66 -1.409 10.121 -19.309 1.00 0.00 C ATOM 969 O LEU A 66 -0.557 10.961 -19.608 1.00 0.00 O ATOM 970 CB LEU A 66 -1.614 9.511 -21.745 1.00 0.00 C ATOM 971 CG LEU A 66 -1.804 8.434 -22.817 1.00 0.00 C ATOM 972 CD1 LEU A 66 -1.618 9.028 -24.204 1.00 0.00 C ATOM 973 CD2 LEU A 66 -0.833 7.283 -22.594 1.00 0.00 C ATOM 0 H LEU A 66 -3.320 7.743 -19.600 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.214 8.164 -20.139 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.299 10.333 -21.954 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.603 9.909 -21.829 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.820 8.046 -22.741 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.756 8.250 -24.955 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.351 9.819 -24.362 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.613 9.442 -24.291 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.982 6.527 -23.365 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.190 7.655 -22.644 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.011 6.842 -21.613 1.00 0.00 H new ATOM 985 N GLN A 67 -2.001 10.080 -18.123 1.00 0.00 N ATOM 986 CA GLN A 67 -1.602 10.952 -17.029 1.00 0.00 C ATOM 987 C GLN A 67 -0.943 10.127 -15.930 1.00 0.00 C ATOM 988 O GLN A 67 -1.049 8.900 -15.921 1.00 0.00 O ATOM 989 CB GLN A 67 -2.813 11.710 -16.479 1.00 0.00 C ATOM 990 CG GLN A 67 -2.797 13.197 -16.801 1.00 0.00 C ATOM 991 CD GLN A 67 -1.726 13.940 -16.029 1.00 0.00 C ATOM 992 OE1 GLN A 67 -0.584 14.053 -16.475 1.00 0.00 O ATOM 993 NE2 GLN A 67 -2.087 14.455 -14.864 1.00 0.00 N ATOM 0 H GLN A 67 -2.766 9.446 -17.894 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.885 11.684 -17.401 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.723 11.268 -16.885 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.851 11.581 -15.397 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.632 13.333 -17.870 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.772 13.627 -16.571 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.044 14.339 -14.530 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.408 14.968 -14.301 1.00 0.00 H new ATOM 1002 N THR A 68 -0.267 10.807 -15.011 1.00 0.00 N ATOM 1003 CA THR A 68 0.458 10.147 -13.931 1.00 0.00 C ATOM 1004 C THR A 68 -0.480 9.343 -13.026 1.00 0.00 C ATOM 1005 O THR A 68 -0.136 8.251 -12.567 1.00 0.00 O ATOM 1006 CB THR A 68 1.231 11.185 -13.092 1.00 0.00 C ATOM 1007 OG1 THR A 68 2.057 11.976 -13.960 1.00 0.00 O ATOM 1008 CG2 THR A 68 2.102 10.510 -12.041 1.00 0.00 C ATOM 0 H THR A 68 -0.206 11.825 -14.993 1.00 0.00 H new ATOM 0 HA THR A 68 1.162 9.452 -14.388 1.00 0.00 H new ATOM 0 HB THR A 68 0.507 11.818 -12.579 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.548 12.638 -13.430 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.633 11.269 -11.467 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.474 9.922 -11.372 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.823 9.855 -12.531 1.00 0.00 H new ATOM 1016 N GLY A 69 -1.666 9.884 -12.780 1.00 0.00 N ATOM 1017 CA GLY A 69 -2.624 9.210 -11.930 1.00 0.00 C ATOM 1018 C GLY A 69 -3.084 10.092 -10.789 1.00 0.00 C ATOM 1019 O GLY A 69 -4.148 10.708 -10.863 1.00 0.00 O ATOM 0 H GLY A 69 -1.981 10.779 -13.155 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.486 8.906 -12.524 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.177 8.301 -11.529 1.00 0.00 H new ATOM 1091 N HIS A 74 -9.553 13.950 -4.009 1.00 0.00 N ATOM 1092 CA HIS A 74 -9.793 12.598 -3.519 1.00 0.00 C ATOM 1093 C HIS A 74 -10.948 12.538 -2.521 1.00 0.00 C ATOM 1094 O HIS A 74 -11.538 13.562 -2.171 1.00 0.00 O ATOM 1095 CB HIS A 74 -8.524 12.021 -2.892 1.00 0.00 C ATOM 1096 CG HIS A 74 -7.438 11.738 -3.883 1.00 0.00 C ATOM 1097 ND1 HIS A 74 -7.540 10.762 -4.849 1.00 0.00 N ATOM 1098 CD2 HIS A 74 -6.220 12.302 -4.049 1.00 0.00 C ATOM 1099 CE1 HIS A 74 -6.430 10.738 -5.563 1.00 0.00 C ATOM 1100 NE2 HIS A 74 -5.613 11.661 -5.098 1.00 0.00 N ATOM 0 HA HIS A 74 -10.076 11.993 -4.381 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -8.149 12.720 -2.145 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -8.775 11.099 -2.368 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -5.803 13.108 -3.464 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -6.226 10.073 -6.389 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -4.681 11.865 -5.459 1.00 0.00 H new ATOM 1109 N ALA A 75 -11.251 11.322 -2.069 1.00 0.00 N ATOM 1110 CA ALA A 75 -12.385 11.068 -1.185 1.00 0.00 C ATOM 1111 C ALA A 75 -12.020 11.239 0.285 1.00 0.00 C ATOM 1112 O ALA A 75 -10.849 11.399 0.639 1.00 0.00 O ATOM 1113 CB ALA A 75 -12.930 9.671 -1.434 1.00 0.00 C ATOM 0 H ALA A 75 -10.717 10.486 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.153 11.807 -1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -13.776 9.487 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -13.256 9.587 -2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -12.149 8.936 -1.238 1.00 0.00 H new ATOM 1119 N ASP A 76 -13.045 11.166 1.130 1.00 0.00 N ATOM 1120 CA ASP A 76 -12.918 11.401 2.568 1.00 0.00 C ATOM 1121 C ASP A 76 -12.141 10.286 3.257 1.00 0.00 C ATOM 1122 O ASP A 76 -11.423 10.519 4.230 1.00 0.00 O ATOM 1123 CB ASP A 76 -14.315 11.518 3.187 1.00 0.00 C ATOM 1124 CG ASP A 76 -14.290 11.628 4.695 1.00 0.00 C ATOM 1125 OD1 ASP A 76 -13.935 12.702 5.211 1.00 0.00 O ATOM 1126 OD2 ASP A 76 -14.639 10.638 5.369 1.00 0.00 O ATOM 0 H ASP A 76 -13.995 10.940 0.835 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.363 12.328 2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.817 12.393 2.773 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.906 10.647 2.902 1.00 0.00 H new ATOM 1131 N ASP A 77 -12.289 9.076 2.745 1.00 0.00 N ATOM 1132 CA ASP A 77 -11.624 7.912 3.333 1.00 0.00 C ATOM 1133 C ASP A 77 -10.704 7.282 2.299 1.00 0.00 C ATOM 1134 O ASP A 77 -10.259 6.145 2.440 1.00 0.00 O ATOM 1135 CB ASP A 77 -12.661 6.896 3.823 1.00 0.00 C ATOM 1136 CG ASP A 77 -12.146 6.006 4.948 1.00 0.00 C ATOM 1137 OD1 ASP A 77 -11.489 4.979 4.666 1.00 0.00 O ATOM 1138 OD2 ASP A 77 -12.425 6.311 6.128 1.00 0.00 O ATOM 0 H ASP A 77 -12.861 8.868 1.926 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.032 8.230 4.191 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.547 7.429 4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.970 6.270 2.986 1.00 0.00 H new ATOM 1143 N CYS A 78 -10.428 8.054 1.254 1.00 0.00 N ATOM 1144 CA CYS A 78 -9.608 7.601 0.138 1.00 0.00 C ATOM 1145 C CYS A 78 -8.257 7.086 0.628 1.00 0.00 C ATOM 1146 O CYS A 78 -7.452 7.850 1.165 1.00 0.00 O ATOM 1147 CB CYS A 78 -9.401 8.752 -0.848 1.00 0.00 C ATOM 1148 SG CYS A 78 -8.446 8.323 -2.323 1.00 0.00 S ATOM 0 H CYS A 78 -10.767 9.011 1.157 1.00 0.00 H new ATOM 0 HA CYS A 78 -10.125 6.781 -0.361 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -10.377 9.125 -1.160 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -8.898 9.569 -0.331 1.00 0.00 H new ATOM 0 HG CYS A 78 -9.180 7.607 -3.122 1.00 0.00 H new ATOM 1154 N PRO A 79 -7.996 5.779 0.447 1.00 0.00 N ATOM 1155 CA PRO A 79 -6.749 5.138 0.887 1.00 0.00 C ATOM 1156 C PRO A 79 -5.512 5.833 0.336 1.00 0.00 C ATOM 1157 O PRO A 79 -4.454 5.816 0.959 1.00 0.00 O ATOM 1158 CB PRO A 79 -6.862 3.718 0.329 1.00 0.00 C ATOM 1159 CG PRO A 79 -8.324 3.486 0.200 1.00 0.00 C ATOM 1160 CD PRO A 79 -8.916 4.813 -0.179 1.00 0.00 C ATOM 0 HA PRO A 79 -6.633 5.175 1.970 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.359 3.628 -0.634 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -6.402 2.991 0.998 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -8.535 2.732 -0.559 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -8.747 3.122 1.137 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.960 4.941 -1.261 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.933 4.923 0.197 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.658 6.459 -0.828 1.00 0.00 N ATOM 1169 CA VAL A 80 -4.572 7.221 -1.435 1.00 0.00 C ATOM 1170 C VAL A 80 -4.113 8.350 -0.505 1.00 0.00 C ATOM 1171 O VAL A 80 -2.928 8.671 -0.442 1.00 0.00 O ATOM 1172 CB VAL A 80 -4.995 7.817 -2.799 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -3.852 8.578 -3.449 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -5.504 6.721 -3.727 1.00 0.00 C ATOM 0 H VAL A 80 -6.521 6.453 -1.371 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.744 6.531 -1.598 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.805 8.524 -2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.182 8.984 -4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.541 9.394 -2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.012 7.903 -3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.797 7.159 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.714 5.988 -3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.365 6.231 -3.273 1.00 0.00 H new ATOM 1184 N VAL A 81 -5.054 8.936 0.234 1.00 0.00 N ATOM 1185 CA VAL A 81 -4.727 10.004 1.172 1.00 0.00 C ATOM 1186 C VAL A 81 -4.011 9.430 2.389 1.00 0.00 C ATOM 1187 O VAL A 81 -3.074 10.028 2.916 1.00 0.00 O ATOM 1188 CB VAL A 81 -5.988 10.771 1.628 1.00 0.00 C ATOM 1189 CG1 VAL A 81 -5.629 11.921 2.559 1.00 0.00 C ATOM 1190 CG2 VAL A 81 -6.766 11.281 0.429 1.00 0.00 C ATOM 0 H VAL A 81 -6.043 8.690 0.201 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.073 10.706 0.655 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.619 10.076 2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.538 12.441 2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.123 11.530 3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.969 12.616 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.650 11.818 0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.136 11.953 -0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.071 10.439 -0.192 1.00 0.00 H new ATOM 1200 N ILE A 82 -4.455 8.257 2.822 1.00 0.00 N ATOM 1201 CA ILE A 82 -3.817 7.553 3.930 1.00 0.00 C ATOM 1202 C ILE A 82 -2.407 7.122 3.533 1.00 0.00 C ATOM 1203 O ILE A 82 -1.460 7.252 4.309 1.00 0.00 O ATOM 1204 CB ILE A 82 -4.636 6.310 4.360 1.00 0.00 C ATOM 1205 CG1 ILE A 82 -6.075 6.710 4.717 1.00 0.00 C ATOM 1206 CG2 ILE A 82 -3.976 5.604 5.538 1.00 0.00 C ATOM 1207 CD1 ILE A 82 -6.173 7.710 5.851 1.00 0.00 C ATOM 0 H ILE A 82 -5.257 7.771 2.422 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.769 8.239 4.775 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.664 5.617 3.519 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.554 7.130 3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.634 5.814 4.987 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.570 4.735 5.821 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.974 5.282 5.254 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.911 6.289 6.383 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.221 7.941 6.043 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.725 7.286 6.750 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.644 8.623 5.578 1.00 0.00 H new ATOM 1219 N ALA A 83 -2.278 6.634 2.305 1.00 0.00 N ATOM 1220 CA ALA A 83 -0.995 6.191 1.775 1.00 0.00 C ATOM 1221 C ALA A 83 0.035 7.310 1.818 1.00 0.00 C ATOM 1222 O ALA A 83 1.184 7.086 2.192 1.00 0.00 O ATOM 1223 CB ALA A 83 -1.167 5.683 0.354 1.00 0.00 C ATOM 0 H ALA A 83 -3.055 6.535 1.652 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.630 5.378 2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.203 5.354 -0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.865 4.846 0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.557 6.484 -0.274 1.00 0.00 H new ATOM 1229 N LYS A 84 -0.389 8.515 1.447 1.00 0.00 N ATOM 1230 CA LYS A 84 0.489 9.681 1.458 1.00 0.00 C ATOM 1231 C LYS A 84 1.052 9.928 2.855 1.00 0.00 C ATOM 1232 O LYS A 84 2.206 10.318 3.012 1.00 0.00 O ATOM 1233 CB LYS A 84 -0.268 10.922 0.982 1.00 0.00 C ATOM 1234 CG LYS A 84 -0.681 10.870 -0.477 1.00 0.00 C ATOM 1235 CD LYS A 84 -1.532 12.074 -0.848 1.00 0.00 C ATOM 1236 CE LYS A 84 -1.866 12.093 -2.329 1.00 0.00 C ATOM 1237 NZ LYS A 84 -0.654 12.254 -3.176 1.00 0.00 N ATOM 0 H LYS A 84 -1.340 8.710 1.134 1.00 0.00 H new ATOM 0 HA LYS A 84 1.318 9.482 0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.159 11.050 1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.358 11.800 1.141 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.207 10.840 -1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.239 9.953 -0.668 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.454 12.060 -0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.002 12.989 -0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.374 11.167 -2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.561 12.908 -2.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.938 12.515 -4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.050 13.002 -2.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.126 11.358 -3.200 1.00 0.00 H new ATOM 1251 N GLN A 85 0.219 9.691 3.858 1.00 0.00 N ATOM 1252 CA GLN A 85 0.611 9.823 5.251 1.00 0.00 C ATOM 1253 C GLN A 85 1.570 8.705 5.657 1.00 0.00 C ATOM 1254 O GLN A 85 2.530 8.934 6.392 1.00 0.00 O ATOM 1255 CB GLN A 85 -0.641 9.792 6.126 1.00 0.00 C ATOM 1256 CG GLN A 85 -1.505 11.037 6.007 1.00 0.00 C ATOM 1257 CD GLN A 85 -2.876 10.850 6.622 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -3.834 10.435 5.808 1.00 0.00 O flip ATOM 1259 NE2 GLN A 85 -3.079 11.084 7.813 1.00 0.00 N flip ATOM 0 H GLN A 85 -0.750 9.401 3.727 1.00 0.00 H new ATOM 0 HA GLN A 85 1.131 10.772 5.386 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.238 8.920 5.859 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.342 9.667 7.167 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.002 11.873 6.494 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.615 11.300 4.955 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.314 11.402 8.408 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.012 10.960 8.205 1.00 0.00 H new ATOM 1268 N ILE A 86 1.311 7.502 5.161 1.00 0.00 N ATOM 1269 CA ILE A 86 2.125 6.336 5.496 1.00 0.00 C ATOM 1270 C ILE A 86 3.503 6.402 4.836 1.00 0.00 C ATOM 1271 O ILE A 86 4.511 6.058 5.451 1.00 0.00 O ATOM 1272 CB ILE A 86 1.418 5.023 5.086 1.00 0.00 C ATOM 1273 CG1 ILE A 86 0.089 4.883 5.834 1.00 0.00 C ATOM 1274 CG2 ILE A 86 2.311 3.819 5.359 1.00 0.00 C ATOM 1275 CD1 ILE A 86 -0.706 3.653 5.445 1.00 0.00 C ATOM 0 H ILE A 86 0.540 7.306 4.522 1.00 0.00 H new ATOM 0 HA ILE A 86 2.257 6.345 6.578 1.00 0.00 H new ATOM 0 HB ILE A 86 1.217 5.060 4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.287 4.852 6.905 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.517 5.770 5.648 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.793 2.907 5.063 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.234 3.914 4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.546 3.774 6.422 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.634 3.623 6.017 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.937 3.691 4.380 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.120 2.759 5.658 1.00 0.00 H new ATOM 1287 N LEU A 87 3.550 6.850 3.586 1.00 0.00 N ATOM 1288 CA LEU A 87 4.812 6.924 2.858 1.00 0.00 C ATOM 1289 C LEU A 87 5.591 8.177 3.238 1.00 0.00 C ATOM 1290 O LEU A 87 6.701 8.411 2.749 1.00 0.00 O ATOM 1291 CB LEU A 87 4.575 6.855 1.340 1.00 0.00 C ATOM 1292 CG LEU A 87 3.683 7.945 0.720 1.00 0.00 C ATOM 1293 CD1 LEU A 87 4.445 9.247 0.515 1.00 0.00 C ATOM 1294 CD2 LEU A 87 3.108 7.459 -0.602 1.00 0.00 C ATOM 0 H LEU A 87 2.736 7.165 3.059 1.00 0.00 H new ATOM 0 HA LEU A 87 5.415 6.061 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.545 6.889 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.134 5.885 1.110 1.00 0.00 H new ATOM 0 HG LEU A 87 2.869 8.145 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.781 9.992 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.811 9.609 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.289 9.074 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.478 8.237 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.922 7.228 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.512 6.563 -0.432 1.00 0.00 H new ATOM 1306 N SER A 88 5.009 8.975 4.114 1.00 0.00 N ATOM 1307 CA SER A 88 5.638 10.207 4.548 1.00 0.00 C ATOM 1308 C SER A 88 6.468 9.961 5.808 1.00 0.00 C ATOM 1309 O SER A 88 6.486 8.851 6.344 1.00 0.00 O ATOM 1310 CB SER A 88 4.575 11.278 4.800 1.00 0.00 C ATOM 1311 OG SER A 88 5.111 12.578 4.615 1.00 0.00 O ATOM 0 H SER A 88 4.100 8.791 4.539 1.00 0.00 H new ATOM 0 HA SER A 88 6.305 10.561 3.762 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.734 11.128 4.123 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.189 11.181 5.815 1.00 0.00 H new ATOM 0 HG SER A 88 4.413 13.246 4.780 1.00 0.00 H new ATOM 1317 N SER A 89 7.156 11.003 6.262 1.00 0.00 N ATOM 1318 CA SER A 89 8.043 10.929 7.419 1.00 0.00 C ATOM 1319 C SER A 89 8.718 12.278 7.621 1.00 0.00 C ATOM 1320 O SER A 89 8.956 12.716 8.750 1.00 0.00 O ATOM 1321 CB SER A 89 9.095 9.827 7.233 1.00 0.00 C ATOM 1322 OG SER A 89 9.656 9.871 5.929 1.00 0.00 O ATOM 0 H SER A 89 7.114 11.929 5.836 1.00 0.00 H new ATOM 0 HA SER A 89 7.454 10.681 8.302 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.884 9.944 7.976 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.639 8.852 7.403 1.00 0.00 H new ATOM 0 HG SER A 89 10.324 9.160 5.836 1.00 0.00 H new ATOM 1328 N ARG A 90 9.035 12.924 6.508 1.00 0.00 N ATOM 1329 CA ARG A 90 9.563 14.276 6.526 1.00 0.00 C ATOM 1330 C ARG A 90 8.423 15.263 6.348 1.00 0.00 C ATOM 1331 O ARG A 90 7.667 15.159 5.385 1.00 0.00 O ATOM 1332 CB ARG A 90 10.594 14.474 5.417 1.00 0.00 C ATOM 1333 CG ARG A 90 11.866 13.669 5.609 1.00 0.00 C ATOM 1334 CD ARG A 90 12.882 13.989 4.528 1.00 0.00 C ATOM 1335 NE ARG A 90 14.152 13.299 4.742 1.00 0.00 N ATOM 1336 CZ ARG A 90 15.318 13.726 4.262 1.00 0.00 C ATOM 1337 NH1 ARG A 90 15.377 14.837 3.537 1.00 0.00 N ATOM 1338 NH2 ARG A 90 16.428 13.046 4.512 1.00 0.00 N ATOM 0 H ARG A 90 8.933 12.527 5.574 1.00 0.00 H new ATOM 0 HA ARG A 90 10.055 14.446 7.484 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.144 14.201 4.463 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.851 15.532 5.357 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.292 13.885 6.589 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.633 12.604 5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.477 13.707 3.556 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.055 15.065 4.501 1.00 0.00 H new ATOM 0 HE ARG A 90 14.145 12.440 5.291 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.527 15.367 3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 90 16.273 15.160 3.171 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.389 12.195 5.073 1.00 0.00 H new ATOM 0 HH22 ARG A 90 17.321 13.374 4.144 1.00 0.00 H new ATOM 1710 N TYR B 18 6.750 7.529 13.797 1.00 0.00 N ATOM 1711 CA TYR B 18 5.692 7.168 14.725 1.00 0.00 C ATOM 1712 C TYR B 18 5.359 5.683 14.662 1.00 0.00 C ATOM 1713 O TYR B 18 4.545 5.189 15.439 1.00 0.00 O ATOM 1714 CB TYR B 18 4.444 8.009 14.453 1.00 0.00 C ATOM 1715 CG TYR B 18 3.865 7.879 13.057 1.00 0.00 C ATOM 1716 CD1 TYR B 18 3.012 6.831 12.726 1.00 0.00 C ATOM 1717 CD2 TYR B 18 4.159 8.816 12.073 1.00 0.00 C ATOM 1718 CE1 TYR B 18 2.465 6.728 11.463 1.00 0.00 C ATOM 1719 CE2 TYR B 18 3.621 8.716 10.805 1.00 0.00 C ATOM 1720 CZ TYR B 18 2.778 7.670 10.505 1.00 0.00 C ATOM 1721 OH TYR B 18 2.232 7.572 9.246 1.00 0.00 O ATOM 0 HA TYR B 18 6.052 7.375 15.733 1.00 0.00 H new ATOM 0 HB2 TYR B 18 3.675 7.732 15.174 1.00 0.00 H new ATOM 0 HB3 TYR B 18 4.686 9.057 14.632 1.00 0.00 H new ATOM 0 HD1 TYR B 18 2.774 6.085 13.470 1.00 0.00 H new ATOM 0 HD2 TYR B 18 4.821 9.638 12.305 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.796 5.914 11.226 1.00 0.00 H new ATOM 0 HE2 TYR B 18 3.860 9.454 10.053 1.00 0.00 H new ATOM 0 HH TYR B 18 2.666 8.217 8.650 1.00 0.00 H new ATOM 1731 N PHE B 19 5.980 4.979 13.729 1.00 0.00 N ATOM 1732 CA PHE B 19 5.795 3.538 13.615 1.00 0.00 C ATOM 1733 C PHE B 19 6.536 2.809 14.730 1.00 0.00 C ATOM 1734 O PHE B 19 6.203 1.676 15.067 1.00 0.00 O ATOM 1735 CB PHE B 19 6.262 3.034 12.249 1.00 0.00 C ATOM 1736 CG PHE B 19 5.365 3.447 11.116 1.00 0.00 C ATOM 1737 CD1 PHE B 19 4.194 2.750 10.857 1.00 0.00 C ATOM 1738 CD2 PHE B 19 5.694 4.523 10.309 1.00 0.00 C ATOM 1739 CE1 PHE B 19 3.367 3.120 9.813 1.00 0.00 C ATOM 1740 CE2 PHE B 19 4.871 4.898 9.264 1.00 0.00 C ATOM 1741 CZ PHE B 19 3.706 4.196 9.016 1.00 0.00 C ATOM 0 H PHE B 19 6.616 5.380 13.040 1.00 0.00 H new ATOM 0 HA PHE B 19 4.730 3.328 13.712 1.00 0.00 H new ATOM 0 HB2 PHE B 19 7.269 3.406 12.059 1.00 0.00 H new ATOM 0 HB3 PHE B 19 6.324 1.946 12.274 1.00 0.00 H new ATOM 0 HD1 PHE B 19 3.925 1.908 11.478 1.00 0.00 H new ATOM 0 HD2 PHE B 19 6.603 5.075 10.498 1.00 0.00 H new ATOM 0 HE1 PHE B 19 2.458 2.569 9.621 1.00 0.00 H new ATOM 0 HE2 PHE B 19 5.138 5.739 8.641 1.00 0.00 H new ATOM 0 HZ PHE B 19 3.062 4.489 8.200 1.00 0.00 H new ATOM 1751 N GLN B 20 7.537 3.464 15.306 1.00 0.00 N ATOM 1752 CA GLN B 20 8.264 2.892 16.431 1.00 0.00 C ATOM 1753 C GLN B 20 7.433 3.020 17.703 1.00 0.00 C ATOM 1754 O GLN B 20 7.256 2.058 18.449 1.00 0.00 O ATOM 1755 CB GLN B 20 9.618 3.583 16.610 1.00 0.00 C ATOM 1756 CG GLN B 20 10.574 3.386 15.443 1.00 0.00 C ATOM 1757 CD GLN B 20 11.908 4.065 15.676 1.00 0.00 C ATOM 1758 OE1 GLN B 20 12.346 4.217 16.815 1.00 0.00 O ATOM 1759 NE2 GLN B 20 12.564 4.479 14.604 1.00 0.00 N ATOM 0 H GLN B 20 7.862 4.386 15.014 1.00 0.00 H new ATOM 0 HA GLN B 20 8.445 1.837 16.228 1.00 0.00 H new ATOM 0 HB2 GLN B 20 9.453 4.651 16.754 1.00 0.00 H new ATOM 0 HB3 GLN B 20 10.088 3.207 17.519 1.00 0.00 H new ATOM 0 HG2 GLN B 20 10.734 2.320 15.282 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.121 3.781 14.534 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.167 4.334 13.676 1.00 0.00 H new ATOM 0 HE22 GLN B 20 13.467 4.943 14.706 1.00 0.00 H new ATOM 1768 N GLY B 21 6.904 4.215 17.935 1.00 0.00 N ATOM 1769 CA GLY B 21 6.022 4.429 19.063 1.00 0.00 C ATOM 1770 C GLY B 21 4.577 4.183 18.689 1.00 0.00 C ATOM 1771 O GLY B 21 3.720 5.046 18.873 1.00 0.00 O ATOM 0 H GLY B 21 7.071 5.041 17.360 1.00 0.00 H new ATOM 0 HA2 GLY B 21 6.306 3.765 19.880 1.00 0.00 H new ATOM 0 HA3 GLY B 21 6.136 5.450 19.427 1.00 0.00 H new ATOM 1775 N MET B 22 4.313 3.007 18.146 1.00 0.00 N ATOM 1776 CA MET B 22 2.984 2.662 17.670 1.00 0.00 C ATOM 1777 C MET B 22 2.348 1.613 18.574 1.00 0.00 C ATOM 1778 O MET B 22 3.035 0.735 19.093 1.00 0.00 O ATOM 1779 CB MET B 22 3.071 2.139 16.231 1.00 0.00 C ATOM 1780 CG MET B 22 1.737 1.712 15.638 1.00 0.00 C ATOM 1781 SD MET B 22 0.536 3.054 15.570 1.00 0.00 S ATOM 1782 CE MET B 22 1.344 4.183 14.437 1.00 0.00 C ATOM 0 H MET B 22 5.007 2.270 18.023 1.00 0.00 H new ATOM 0 HA MET B 22 2.359 3.555 17.690 1.00 0.00 H new ATOM 0 HB2 MET B 22 3.504 2.916 15.600 1.00 0.00 H new ATOM 0 HB3 MET B 22 3.755 1.290 16.206 1.00 0.00 H new ATOM 0 HG2 MET B 22 1.900 1.326 14.632 1.00 0.00 H new ATOM 0 HG3 MET B 22 1.327 0.894 16.231 1.00 0.00 H new ATOM 0 HE1 MET B 22 0.612 4.577 13.732 1.00 0.00 H new ATOM 0 HE2 MET B 22 1.787 5.006 14.998 1.00 0.00 H new ATOM 0 HE3 MET B 22 2.125 3.654 13.892 1.00 0.00 H new ATOM 1792 N THR B 23 1.044 1.721 18.776 1.00 0.00 N ATOM 1793 CA THR B 23 0.297 0.730 19.528 1.00 0.00 C ATOM 1794 C THR B 23 -1.124 0.630 18.987 1.00 0.00 C ATOM 1795 O THR B 23 -1.939 1.540 19.164 1.00 0.00 O ATOM 1796 CB THR B 23 0.291 1.026 21.046 1.00 0.00 C ATOM 1797 OG1 THR B 23 -0.604 0.136 21.729 1.00 0.00 O ATOM 1798 CG2 THR B 23 -0.086 2.476 21.339 1.00 0.00 C ATOM 0 H THR B 23 0.478 2.494 18.425 1.00 0.00 H new ATOM 0 HA THR B 23 0.797 -0.230 19.400 1.00 0.00 H new ATOM 0 HB THR B 23 1.305 0.864 21.413 1.00 0.00 H new ATOM 0 HG1 THR B 23 -0.377 -0.791 21.506 1.00 0.00 H new ATOM 0 HG21 THR B 23 -0.079 2.643 22.416 1.00 0.00 H new ATOM 0 HG22 THR B 23 0.634 3.142 20.863 1.00 0.00 H new ATOM 0 HG23 THR B 23 -1.083 2.679 20.947 1.00 0.00 H new ATOM 1806 N ASP B 24 -1.391 -0.479 18.302 1.00 0.00 N ATOM 1807 CA ASP B 24 -2.675 -0.702 17.630 1.00 0.00 C ATOM 1808 C ASP B 24 -2.906 0.395 16.580 1.00 0.00 C ATOM 1809 O ASP B 24 -1.969 1.112 16.227 1.00 0.00 O ATOM 1810 CB ASP B 24 -3.813 -0.723 18.660 1.00 0.00 C ATOM 1811 CG ASP B 24 -4.951 -1.647 18.272 1.00 0.00 C ATOM 1812 OD1 ASP B 24 -5.732 -1.298 17.361 1.00 0.00 O ATOM 1813 OD2 ASP B 24 -5.073 -2.724 18.887 1.00 0.00 O ATOM 0 H ASP B 24 -0.729 -1.247 18.195 1.00 0.00 H new ATOM 0 HA ASP B 24 -2.657 -1.668 17.125 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.415 -1.033 19.626 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -4.201 0.288 18.785 1.00 0.00 H new ATOM 1818 N THR B 25 -4.127 0.486 16.052 1.00 0.00 N ATOM 1819 CA THR B 25 -4.530 1.586 15.162 1.00 0.00 C ATOM 1820 C THR B 25 -3.908 1.498 13.762 1.00 0.00 C ATOM 1821 O THR B 25 -4.591 1.744 12.764 1.00 0.00 O ATOM 1822 CB THR B 25 -4.190 2.954 15.798 1.00 0.00 C ATOM 1823 OG1 THR B 25 -4.792 3.047 17.097 1.00 0.00 O ATOM 1824 CG2 THR B 25 -4.672 4.109 14.934 1.00 0.00 C ATOM 0 H THR B 25 -4.865 -0.196 16.226 1.00 0.00 H new ATOM 0 HA THR B 25 -5.609 1.491 15.037 1.00 0.00 H new ATOM 0 HB THR B 25 -3.105 3.022 15.882 1.00 0.00 H new ATOM 0 HG1 THR B 25 -4.573 3.914 17.498 1.00 0.00 H new ATOM 0 HG21 THR B 25 -4.415 5.054 15.413 1.00 0.00 H new ATOM 0 HG22 THR B 25 -4.193 4.056 13.956 1.00 0.00 H new ATOM 0 HG23 THR B 25 -5.753 4.046 14.813 1.00 0.00 H new ATOM 1832 N ALA B 26 -2.634 1.153 13.685 1.00 0.00 N ATOM 1833 CA ALA B 26 -1.929 1.099 12.416 1.00 0.00 C ATOM 1834 C ALA B 26 -2.613 0.152 11.436 1.00 0.00 C ATOM 1835 O ALA B 26 -2.852 0.512 10.285 1.00 0.00 O ATOM 1836 CB ALA B 26 -0.485 0.684 12.638 1.00 0.00 C ATOM 0 H ALA B 26 -2.063 0.904 14.493 1.00 0.00 H new ATOM 0 HA ALA B 26 -1.949 2.097 11.977 1.00 0.00 H new ATOM 0 HB1 ALA B 26 0.034 0.647 11.680 1.00 0.00 H new ATOM 0 HB2 ALA B 26 0.006 1.408 13.289 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -0.457 -0.301 13.104 1.00 0.00 H new ATOM 1842 N ALA B 27 -2.965 -1.040 11.906 1.00 0.00 N ATOM 1843 CA ALA B 27 -3.558 -2.056 11.041 1.00 0.00 C ATOM 1844 C ALA B 27 -4.897 -1.589 10.489 1.00 0.00 C ATOM 1845 O ALA B 27 -5.298 -1.978 9.390 1.00 0.00 O ATOM 1846 CB ALA B 27 -3.729 -3.367 11.794 1.00 0.00 C ATOM 0 H ALA B 27 -2.851 -1.327 12.878 1.00 0.00 H new ATOM 0 HA ALA B 27 -2.880 -2.219 10.203 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -4.172 -4.111 11.133 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -2.756 -3.719 12.137 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -4.381 -3.211 12.653 1.00 0.00 H new ATOM 1852 N GLU B 28 -5.567 -0.736 11.257 1.00 0.00 N ATOM 1853 CA GLU B 28 -6.877 -0.217 10.893 1.00 0.00 C ATOM 1854 C GLU B 28 -6.834 0.500 9.539 1.00 0.00 C ATOM 1855 O GLU B 28 -7.645 0.226 8.656 1.00 0.00 O ATOM 1856 CB GLU B 28 -7.388 0.727 11.992 1.00 0.00 C ATOM 1857 CG GLU B 28 -7.596 0.042 13.336 1.00 0.00 C ATOM 1858 CD GLU B 28 -8.269 0.944 14.354 1.00 0.00 C ATOM 1859 OE1 GLU B 28 -9.506 1.098 14.289 1.00 0.00 O ATOM 1860 OE2 GLU B 28 -7.571 1.504 15.224 1.00 0.00 O ATOM 0 H GLU B 28 -5.216 -0.386 12.148 1.00 0.00 H new ATOM 0 HA GLU B 28 -7.566 -1.056 10.798 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -6.678 1.544 12.116 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -8.330 1.170 11.670 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -8.201 -0.853 13.193 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -6.632 -0.284 13.726 1.00 0.00 H new ATOM 1867 N ASP B 29 -5.875 1.409 9.375 1.00 0.00 N ATOM 1868 CA ASP B 29 -5.741 2.154 8.121 1.00 0.00 C ATOM 1869 C ASP B 29 -4.853 1.434 7.114 1.00 0.00 C ATOM 1870 O ASP B 29 -4.988 1.643 5.910 1.00 0.00 O ATOM 1871 CB ASP B 29 -5.229 3.574 8.368 1.00 0.00 C ATOM 1872 CG ASP B 29 -6.351 4.519 8.751 1.00 0.00 C ATOM 1873 OD1 ASP B 29 -7.243 4.764 7.908 1.00 0.00 O ATOM 1874 OD2 ASP B 29 -6.361 5.007 9.899 1.00 0.00 O ATOM 0 H ASP B 29 -5.184 1.647 10.087 1.00 0.00 H new ATOM 0 HA ASP B 29 -6.740 2.218 7.690 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -4.481 3.558 9.161 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -4.734 3.943 7.470 1.00 0.00 H new ATOM 1879 N VAL B 30 -3.945 0.587 7.591 1.00 0.00 N ATOM 1880 CA VAL B 30 -3.122 -0.215 6.686 1.00 0.00 C ATOM 1881 C VAL B 30 -4.012 -1.113 5.830 1.00 0.00 C ATOM 1882 O VAL B 30 -3.765 -1.299 4.637 1.00 0.00 O ATOM 1883 CB VAL B 30 -2.075 -1.073 7.437 1.00 0.00 C ATOM 1884 CG1 VAL B 30 -1.450 -2.115 6.514 1.00 0.00 C ATOM 1885 CG2 VAL B 30 -0.989 -0.184 8.023 1.00 0.00 C ATOM 0 H VAL B 30 -3.761 0.438 8.583 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.573 0.480 6.051 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.588 -1.595 8.245 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -0.719 -2.702 7.070 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.228 -2.774 6.130 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -0.956 -1.614 5.682 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.259 -0.800 8.549 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.493 0.362 7.220 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -1.436 0.524 8.721 1.00 0.00 H new ATOM 1895 N ARG B 31 -5.067 -1.645 6.437 1.00 0.00 N ATOM 1896 CA ARG B 31 -6.023 -2.474 5.716 1.00 0.00 C ATOM 1897 C ARG B 31 -6.714 -1.698 4.598 1.00 0.00 C ATOM 1898 O ARG B 31 -7.119 -2.289 3.600 1.00 0.00 O ATOM 1899 CB ARG B 31 -7.055 -3.095 6.661 1.00 0.00 C ATOM 1900 CG ARG B 31 -6.628 -4.456 7.187 1.00 0.00 C ATOM 1901 CD ARG B 31 -7.756 -5.162 7.917 1.00 0.00 C ATOM 1902 NE ARG B 31 -7.482 -6.591 8.074 1.00 0.00 N ATOM 1903 CZ ARG B 31 -8.419 -7.512 8.314 1.00 0.00 C ATOM 1904 NH1 ARG B 31 -9.673 -7.149 8.549 1.00 0.00 N ATOM 1905 NH2 ARG B 31 -8.090 -8.796 8.336 1.00 0.00 N ATOM 0 H ARG B 31 -5.281 -1.517 7.426 1.00 0.00 H new ATOM 0 HA ARG B 31 -5.456 -3.284 5.258 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -7.222 -2.422 7.502 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -8.006 -3.195 6.138 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -6.289 -5.076 6.357 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -5.780 -4.335 7.861 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -7.897 -4.708 8.898 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -8.687 -5.027 7.367 1.00 0.00 H new ATOM 0 HE ARG B 31 -6.514 -6.903 7.995 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -9.927 -6.161 8.547 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -10.383 -7.858 8.732 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -7.124 -9.078 8.170 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -8.803 -9.502 8.519 1.00 0.00 H new ATOM 1919 N LYS B 32 -6.855 -0.382 4.762 1.00 0.00 N ATOM 1920 CA LYS B 32 -7.445 0.453 3.712 1.00 0.00 C ATOM 1921 C LYS B 32 -6.682 0.293 2.399 1.00 0.00 C ATOM 1922 O LYS B 32 -7.263 -0.063 1.373 1.00 0.00 O ATOM 1923 CB LYS B 32 -7.451 1.938 4.103 1.00 0.00 C ATOM 1924 CG LYS B 32 -8.742 2.437 4.738 1.00 0.00 C ATOM 1925 CD LYS B 32 -8.802 2.130 6.224 1.00 0.00 C ATOM 1926 CE LYS B 32 -9.918 2.905 6.906 1.00 0.00 C ATOM 1927 NZ LYS B 32 -9.748 4.379 6.768 1.00 0.00 N ATOM 0 H LYS B 32 -6.573 0.125 5.601 1.00 0.00 H new ATOM 0 HA LYS B 32 -8.474 0.118 3.585 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -6.630 2.117 4.798 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -7.250 2.533 3.212 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -8.828 3.513 4.587 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -9.594 1.976 4.238 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -8.957 1.061 6.370 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -7.848 2.380 6.687 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -10.876 2.610 6.478 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -9.947 2.642 7.963 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -10.277 4.862 7.522 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -8.739 4.621 6.843 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -10.109 4.685 5.842 1.00 0.00 H new ATOM 1941 N ILE B 33 -5.376 0.536 2.438 1.00 0.00 N ATOM 1942 CA ILE B 33 -4.560 0.449 1.234 1.00 0.00 C ATOM 1943 C ILE B 33 -4.330 -1.004 0.834 1.00 0.00 C ATOM 1944 O ILE B 33 -4.282 -1.330 -0.353 1.00 0.00 O ATOM 1945 CB ILE B 33 -3.197 1.163 1.392 1.00 0.00 C ATOM 1946 CG1 ILE B 33 -2.387 0.559 2.546 1.00 0.00 C ATOM 1947 CG2 ILE B 33 -3.402 2.657 1.605 1.00 0.00 C ATOM 1948 CD1 ILE B 33 -0.990 1.126 2.675 1.00 0.00 C ATOM 0 H ILE B 33 -4.864 0.792 3.282 1.00 0.00 H new ATOM 0 HA ILE B 33 -5.117 0.959 0.448 1.00 0.00 H new ATOM 0 HB ILE B 33 -2.630 1.017 0.473 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -2.924 0.725 3.480 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -2.319 -0.520 2.404 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -2.434 3.145 1.714 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -3.926 3.078 0.747 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -3.993 2.818 2.506 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -0.480 0.650 3.512 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -0.434 0.937 1.757 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -1.048 2.200 2.849 1.00 0.00 H new ATOM 1960 N ALA B 34 -4.215 -1.874 1.834 1.00 0.00 N ATOM 1961 CA ALA B 34 -3.973 -3.292 1.600 1.00 0.00 C ATOM 1962 C ALA B 34 -5.133 -3.934 0.848 1.00 0.00 C ATOM 1963 O ALA B 34 -4.926 -4.757 -0.042 1.00 0.00 O ATOM 1964 CB ALA B 34 -3.728 -4.013 2.917 1.00 0.00 C ATOM 0 H ALA B 34 -4.286 -1.618 2.819 1.00 0.00 H new ATOM 0 HA ALA B 34 -3.081 -3.383 0.980 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -3.549 -5.071 2.725 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -2.858 -3.582 3.412 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -4.602 -3.904 3.560 1.00 0.00 H new ATOM 1970 N THR B 35 -6.353 -3.553 1.197 1.00 0.00 N ATOM 1971 CA THR B 35 -7.524 -4.094 0.527 1.00 0.00 C ATOM 1972 C THR B 35 -7.668 -3.487 -0.867 1.00 0.00 C ATOM 1973 O THR B 35 -8.051 -4.168 -1.814 1.00 0.00 O ATOM 1974 CB THR B 35 -8.799 -3.842 1.352 1.00 0.00 C ATOM 1975 OG1 THR B 35 -8.600 -4.305 2.694 1.00 0.00 O ATOM 1976 CG2 THR B 35 -10.000 -4.552 0.751 1.00 0.00 C ATOM 0 H THR B 35 -6.556 -2.877 1.934 1.00 0.00 H new ATOM 0 HA THR B 35 -7.389 -5.171 0.430 1.00 0.00 H new ATOM 0 HB THR B 35 -8.997 -2.770 1.347 1.00 0.00 H new ATOM 0 HG1 THR B 35 -8.013 -3.682 3.171 1.00 0.00 H new ATOM 0 HG21 THR B 35 -10.882 -4.352 1.359 1.00 0.00 H new ATOM 0 HG22 THR B 35 -10.168 -4.188 -0.263 1.00 0.00 H new ATOM 0 HG23 THR B 35 -9.813 -5.625 0.725 1.00 0.00 H new ATOM 1984 N ALA B 36 -7.320 -2.211 -0.987 1.00 0.00 N ATOM 1985 CA ALA B 36 -7.412 -1.506 -2.258 1.00 0.00 C ATOM 1986 C ALA B 36 -6.565 -2.177 -3.335 1.00 0.00 C ATOM 1987 O ALA B 36 -7.053 -2.469 -4.426 1.00 0.00 O ATOM 1988 CB ALA B 36 -6.985 -0.059 -2.086 1.00 0.00 C ATOM 0 H ALA B 36 -6.970 -1.643 -0.216 1.00 0.00 H new ATOM 0 HA ALA B 36 -8.452 -1.540 -2.582 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -7.058 0.458 -3.043 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -7.635 0.428 -1.360 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -5.955 -0.023 -1.732 1.00 0.00 H new ATOM 1994 N LEU B 37 -5.299 -2.434 -3.014 1.00 0.00 N ATOM 1995 CA LEU B 37 -4.373 -3.020 -3.973 1.00 0.00 C ATOM 1996 C LEU B 37 -4.718 -4.483 -4.256 1.00 0.00 C ATOM 1997 O LEU B 37 -4.388 -5.017 -5.314 1.00 0.00 O ATOM 1998 CB LEU B 37 -2.925 -2.869 -3.477 1.00 0.00 C ATOM 1999 CG LEU B 37 -2.619 -3.402 -2.070 1.00 0.00 C ATOM 2000 CD1 LEU B 37 -2.409 -4.909 -2.084 1.00 0.00 C ATOM 2001 CD2 LEU B 37 -1.394 -2.703 -1.502 1.00 0.00 C ATOM 0 H LEU B 37 -4.894 -2.245 -2.097 1.00 0.00 H new ATOM 0 HA LEU B 37 -4.468 -2.480 -4.915 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.269 -3.377 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -2.665 -1.811 -3.504 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.478 -3.190 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -2.194 -5.256 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.311 -5.399 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -1.571 -5.154 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -1.185 -3.088 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.537 -2.888 -2.149 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -1.581 -1.631 -1.445 1.00 0.00 H new ATOM 2013 N LEU B 38 -5.394 -5.118 -3.308 1.00 0.00 N ATOM 2014 CA LEU B 38 -5.769 -6.518 -3.444 1.00 0.00 C ATOM 2015 C LEU B 38 -6.967 -6.654 -4.379 1.00 0.00 C ATOM 2016 O LEU B 38 -7.051 -7.597 -5.163 1.00 0.00 O ATOM 2017 CB LEU B 38 -6.080 -7.113 -2.059 1.00 0.00 C ATOM 2018 CG LEU B 38 -6.213 -8.642 -1.982 1.00 0.00 C ATOM 2019 CD1 LEU B 38 -5.977 -9.113 -0.556 1.00 0.00 C ATOM 2020 CD2 LEU B 38 -7.586 -9.100 -2.451 1.00 0.00 C ATOM 0 H LEU B 38 -5.694 -4.684 -2.435 1.00 0.00 H new ATOM 0 HA LEU B 38 -4.937 -7.072 -3.878 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -5.293 -6.804 -1.371 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -7.009 -6.671 -1.699 1.00 0.00 H new ATOM 0 HG LEU B 38 -5.462 -9.079 -2.641 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.073 -10.198 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -4.975 -8.824 -0.238 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -6.713 -8.655 0.105 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.649 -10.186 -2.385 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.354 -8.653 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.740 -8.790 -3.485 1.00 0.00 H new ATOM 2032 N LYS B 39 -7.877 -5.691 -4.312 1.00 0.00 N ATOM 2033 CA LYS B 39 -9.109 -5.754 -5.070 1.00 0.00 C ATOM 2034 C LYS B 39 -8.917 -5.217 -6.478 1.00 0.00 C ATOM 2035 O LYS B 39 -9.387 -5.810 -7.450 1.00 0.00 O ATOM 2036 CB LYS B 39 -10.204 -4.961 -4.359 1.00 0.00 C ATOM 2037 CG LYS B 39 -10.572 -5.519 -2.996 1.00 0.00 C ATOM 2038 CD LYS B 39 -11.803 -4.839 -2.417 1.00 0.00 C ATOM 2039 CE LYS B 39 -13.024 -5.033 -3.304 1.00 0.00 C ATOM 2040 NZ LYS B 39 -14.275 -4.582 -2.637 1.00 0.00 N ATOM 0 H LYS B 39 -7.779 -4.855 -3.736 1.00 0.00 H new ATOM 0 HA LYS B 39 -9.406 -6.800 -5.141 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -9.876 -3.928 -4.243 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -11.094 -4.943 -4.987 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -10.755 -6.590 -3.080 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -9.732 -5.392 -2.313 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -12.007 -5.240 -1.424 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -11.607 -3.774 -2.296 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -12.889 -4.479 -4.233 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -13.115 -6.086 -3.571 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -15.082 -4.732 -3.275 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -14.419 -5.128 -1.763 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -14.200 -3.571 -2.405 1.00 0.00 H new ATOM 2054 N THR B 40 -8.233 -4.089 -6.588 1.00 0.00 N ATOM 2055 CA THR B 40 -8.051 -3.436 -7.867 1.00 0.00 C ATOM 2056 C THR B 40 -6.846 -2.506 -7.810 1.00 0.00 C ATOM 2057 O THR B 40 -6.949 -1.359 -7.377 1.00 0.00 O ATOM 2058 CB THR B 40 -9.302 -2.625 -8.283 1.00 0.00 C ATOM 2059 OG1 THR B 40 -10.495 -3.365 -7.994 1.00 0.00 O ATOM 2060 CG2 THR B 40 -9.271 -2.306 -9.769 1.00 0.00 C ATOM 0 H THR B 40 -7.795 -3.608 -5.802 1.00 0.00 H new ATOM 0 HA THR B 40 -7.888 -4.216 -8.611 1.00 0.00 H new ATOM 0 HB THR B 40 -9.298 -1.695 -7.715 1.00 0.00 H new ATOM 0 HG1 THR B 40 -11.278 -2.840 -8.261 1.00 0.00 H new ATOM 0 HG21 THR B 40 -10.160 -1.736 -10.037 1.00 0.00 H new ATOM 0 HG22 THR B 40 -8.381 -1.719 -9.997 1.00 0.00 H new ATOM 0 HG23 THR B 40 -9.249 -3.234 -10.340 1.00 0.00 H new ATOM 2068 N ALA B 41 -5.693 -3.043 -8.156 1.00 0.00 N ATOM 2069 CA ALA B 41 -4.490 -2.237 -8.325 1.00 0.00 C ATOM 2070 C ALA B 41 -3.920 -2.441 -9.723 1.00 0.00 C ATOM 2071 O ALA B 41 -3.275 -1.560 -10.288 1.00 0.00 O ATOM 2072 CB ALA B 41 -3.453 -2.603 -7.276 1.00 0.00 C ATOM 0 H ALA B 41 -5.559 -4.039 -8.328 1.00 0.00 H new ATOM 0 HA ALA B 41 -4.752 -1.187 -8.199 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -2.562 -1.992 -7.417 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -3.862 -2.424 -6.282 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -3.190 -3.656 -7.376 1.00 0.00 H new ATOM 2078 N ILE B 42 -4.179 -3.622 -10.268 1.00 0.00 N ATOM 2079 CA ILE B 42 -3.696 -3.996 -11.586 1.00 0.00 C ATOM 2080 C ILE B 42 -4.823 -3.945 -12.611 1.00 0.00 C ATOM 2081 O ILE B 42 -5.982 -3.709 -12.254 1.00 0.00 O ATOM 2082 CB ILE B 42 -3.055 -5.399 -11.565 1.00 0.00 C ATOM 2083 CG1 ILE B 42 -3.679 -6.292 -10.478 1.00 0.00 C ATOM 2084 CG2 ILE B 42 -1.553 -5.284 -11.363 1.00 0.00 C ATOM 2085 CD1 ILE B 42 -5.139 -6.633 -10.706 1.00 0.00 C ATOM 0 H ILE B 42 -4.730 -4.346 -9.807 1.00 0.00 H new ATOM 0 HA ILE B 42 -2.931 -3.275 -11.875 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.250 -5.871 -12.528 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -3.108 -7.218 -10.415 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -3.582 -5.792 -9.515 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.110 -6.280 -11.350 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -1.119 -4.705 -12.178 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.350 -4.784 -10.416 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -5.496 -7.265 -9.893 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -5.726 -5.715 -10.738 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -5.245 -7.164 -11.652 1.00 0.00 H new ATOM 2097 N GLU B 43 -4.499 -4.172 -13.877 1.00 0.00 N ATOM 2098 CA GLU B 43 -5.490 -4.037 -14.929 1.00 0.00 C ATOM 2099 C GLU B 43 -5.890 -5.394 -15.504 1.00 0.00 C ATOM 2100 O GLU B 43 -5.090 -6.334 -15.562 1.00 0.00 O ATOM 2101 CB GLU B 43 -4.988 -3.115 -16.055 1.00 0.00 C ATOM 2102 CG GLU B 43 -3.872 -3.700 -16.914 1.00 0.00 C ATOM 2103 CD GLU B 43 -2.514 -3.677 -16.241 1.00 0.00 C ATOM 2104 OE1 GLU B 43 -2.194 -4.631 -15.498 1.00 0.00 O ATOM 2105 OE2 GLU B 43 -1.752 -2.719 -16.481 1.00 0.00 O ATOM 0 H GLU B 43 -3.570 -4.447 -14.195 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.372 -3.585 -14.476 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -5.829 -2.863 -16.700 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -4.636 -2.183 -15.612 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -4.124 -4.729 -17.171 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -3.814 -3.143 -17.849 1.00 0.00 H new ATOM 2112 N ILE B 44 -7.145 -5.491 -15.907 1.00 0.00 N ATOM 2113 CA ILE B 44 -7.628 -6.652 -16.624 1.00 0.00 C ATOM 2114 C ILE B 44 -7.960 -6.245 -18.055 1.00 0.00 C ATOM 2115 O ILE B 44 -8.771 -5.351 -18.290 1.00 0.00 O ATOM 2116 CB ILE B 44 -8.854 -7.303 -15.910 1.00 0.00 C ATOM 2117 CG1 ILE B 44 -9.382 -8.523 -16.683 1.00 0.00 C ATOM 2118 CG2 ILE B 44 -9.970 -6.296 -15.686 1.00 0.00 C ATOM 2119 CD1 ILE B 44 -10.348 -8.189 -17.804 1.00 0.00 C ATOM 0 H ILE B 44 -7.851 -4.772 -15.747 1.00 0.00 H new ATOM 0 HA ILE B 44 -6.847 -7.412 -16.640 1.00 0.00 H new ATOM 0 HB ILE B 44 -8.504 -7.646 -14.936 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -8.535 -9.067 -17.101 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -9.877 -9.195 -15.982 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -10.807 -6.785 -15.187 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -9.604 -5.479 -15.064 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -10.301 -5.901 -16.646 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -10.669 -9.108 -18.294 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -11.217 -7.674 -17.394 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -9.853 -7.544 -18.530 1.00 0.00 H new ATOM 2131 N VAL B 45 -7.298 -6.874 -19.008 1.00 0.00 N ATOM 2132 CA VAL B 45 -7.529 -6.575 -20.405 1.00 0.00 C ATOM 2133 C VAL B 45 -8.434 -7.629 -21.027 1.00 0.00 C ATOM 2134 O VAL B 45 -8.143 -8.827 -20.983 1.00 0.00 O ATOM 2135 CB VAL B 45 -6.208 -6.466 -21.202 1.00 0.00 C ATOM 2136 CG1 VAL B 45 -5.435 -5.228 -20.778 1.00 0.00 C ATOM 2137 CG2 VAL B 45 -5.347 -7.709 -21.021 1.00 0.00 C ATOM 0 H VAL B 45 -6.597 -7.595 -18.838 1.00 0.00 H new ATOM 0 HA VAL B 45 -8.021 -5.603 -20.454 1.00 0.00 H new ATOM 0 HB VAL B 45 -6.462 -6.383 -22.259 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -4.508 -5.165 -21.348 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -6.038 -4.340 -20.967 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -5.204 -5.290 -19.715 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -4.426 -7.600 -21.594 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -5.105 -7.833 -19.966 1.00 0.00 H new ATOM 0 HG23 VAL B 45 -5.893 -8.584 -21.374 1.00 0.00 H new ATOM 2147 N SER B 46 -9.549 -7.185 -21.566 1.00 0.00 N ATOM 2148 CA SER B 46 -10.493 -8.081 -22.204 1.00 0.00 C ATOM 2149 C SER B 46 -10.032 -8.412 -23.616 1.00 0.00 C ATOM 2150 O SER B 46 -9.305 -7.633 -24.239 1.00 0.00 O ATOM 2151 CB SER B 46 -11.878 -7.435 -22.228 1.00 0.00 C ATOM 2152 OG SER B 46 -11.800 -6.090 -22.677 1.00 0.00 O ATOM 0 H SER B 46 -9.826 -6.203 -21.576 1.00 0.00 H new ATOM 0 HA SER B 46 -10.547 -9.010 -21.636 1.00 0.00 H new ATOM 0 HB2 SER B 46 -12.538 -8.004 -22.883 1.00 0.00 H new ATOM 0 HB3 SER B 46 -12.316 -7.465 -21.230 1.00 0.00 H new ATOM 0 HG SER B 46 -12.697 -5.696 -22.687 1.00 0.00 H new ATOM 2158 N GLU B 47 -10.435 -9.575 -24.112 1.00 0.00 N ATOM 2159 CA GLU B 47 -10.134 -9.956 -25.483 1.00 0.00 C ATOM 2160 C GLU B 47 -10.983 -9.125 -26.440 1.00 0.00 C ATOM 2161 O GLU B 47 -11.788 -8.303 -25.994 1.00 0.00 O ATOM 2162 CB GLU B 47 -10.398 -11.447 -25.688 1.00 0.00 C ATOM 2163 CG GLU B 47 -9.647 -12.330 -24.701 1.00 0.00 C ATOM 2164 CD GLU B 47 -9.881 -13.807 -24.927 1.00 0.00 C ATOM 2165 OE1 GLU B 47 -10.987 -14.181 -25.367 1.00 0.00 O ATOM 2166 OE2 GLU B 47 -8.953 -14.606 -24.657 1.00 0.00 O ATOM 0 H GLU B 47 -10.969 -10.267 -23.587 1.00 0.00 H new ATOM 0 HA GLU B 47 -9.080 -9.766 -25.687 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -11.467 -11.636 -25.594 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -10.113 -11.724 -26.703 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -8.580 -12.122 -24.776 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -9.952 -12.071 -23.687 1.00 0.00 H new ATOM 2173 N GLU B 48 -10.798 -9.325 -27.743 1.00 0.00 N ATOM 2174 CA GLU B 48 -11.591 -8.617 -28.747 1.00 0.00 C ATOM 2175 C GLU B 48 -13.072 -8.744 -28.409 1.00 0.00 C ATOM 2176 O GLU B 48 -13.802 -7.752 -28.347 1.00 0.00 O ATOM 2177 CB GLU B 48 -11.311 -9.182 -30.141 1.00 0.00 C ATOM 2178 CG GLU B 48 -11.856 -8.325 -31.273 1.00 0.00 C ATOM 2179 CD GLU B 48 -11.234 -6.943 -31.308 1.00 0.00 C ATOM 2180 OE1 GLU B 48 -10.031 -6.834 -31.637 1.00 0.00 O ATOM 2181 OE2 GLU B 48 -11.946 -5.959 -31.026 1.00 0.00 O ATOM 0 H GLU B 48 -10.108 -9.970 -28.128 1.00 0.00 H new ATOM 0 HA GLU B 48 -11.314 -7.563 -28.744 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -10.234 -9.293 -30.268 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -11.745 -10.179 -30.212 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -11.673 -8.826 -32.224 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -12.937 -8.231 -31.165 1.00 0.00 H new ATOM 2188 N ASP B 49 -13.489 -9.980 -28.186 1.00 0.00 N ATOM 2189 CA ASP B 49 -14.799 -10.278 -27.625 1.00 0.00 C ATOM 2190 C ASP B 49 -14.899 -11.758 -27.300 1.00 0.00 C ATOM 2191 O ASP B 49 -14.982 -12.603 -28.192 1.00 0.00 O ATOM 2192 CB ASP B 49 -15.939 -9.867 -28.554 1.00 0.00 C ATOM 2193 CG ASP B 49 -17.297 -10.163 -27.945 1.00 0.00 C ATOM 2194 OD1 ASP B 49 -17.551 -9.723 -26.800 1.00 0.00 O ATOM 2195 OD2 ASP B 49 -18.117 -10.836 -28.603 1.00 0.00 O ATOM 0 H ASP B 49 -12.928 -10.807 -28.389 1.00 0.00 H new ATOM 0 HA ASP B 49 -14.901 -9.692 -26.712 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -15.863 -8.802 -28.773 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -15.843 -10.395 -29.503 1.00 0.00 H new ATOM 2200 N GLY B 50 -14.877 -12.058 -26.018 1.00 0.00 N ATOM 2201 CA GLY B 50 -14.913 -13.435 -25.575 1.00 0.00 C ATOM 2202 C GLY B 50 -14.541 -13.571 -24.118 1.00 0.00 C ATOM 2203 O GLY B 50 -15.414 -13.673 -23.254 1.00 0.00 O ATOM 0 H GLY B 50 -14.835 -11.369 -25.267 1.00 0.00 H new ATOM 0 HA2 GLY B 50 -15.912 -13.841 -25.733 1.00 0.00 H new ATOM 0 HA3 GLY B 50 -14.228 -14.029 -26.181 1.00 0.00 H new ATOM 2207 N GLY B 51 -13.249 -13.556 -23.833 1.00 0.00 N ATOM 2208 CA GLY B 51 -12.796 -13.695 -22.471 1.00 0.00 C ATOM 2209 C GLY B 51 -12.068 -12.466 -21.969 1.00 0.00 C ATOM 2210 O GLY B 51 -12.174 -11.380 -22.548 1.00 0.00 O ATOM 0 H GLY B 51 -12.506 -13.450 -24.524 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -13.652 -13.894 -21.826 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -12.135 -14.559 -22.399 1.00 0.00 H new ATOM 2214 N ALA B 52 -11.308 -12.655 -20.909 1.00 0.00 N ATOM 2215 CA ALA B 52 -10.605 -11.573 -20.243 1.00 0.00 C ATOM 2216 C ALA B 52 -9.264 -12.063 -19.703 1.00 0.00 C ATOM 2217 O ALA B 52 -9.095 -13.250 -19.429 1.00 0.00 O ATOM 2218 CB ALA B 52 -11.464 -11.023 -19.116 1.00 0.00 C ATOM 0 H ALA B 52 -11.159 -13.569 -20.481 1.00 0.00 H new ATOM 0 HA ALA B 52 -10.412 -10.777 -20.962 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -10.934 -10.211 -18.618 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -12.402 -10.647 -19.524 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -11.672 -11.815 -18.397 1.00 0.00 H new ATOM 2224 N HIS B 53 -8.307 -11.158 -19.572 1.00 0.00 N ATOM 2225 CA HIS B 53 -6.984 -11.511 -19.073 1.00 0.00 C ATOM 2226 C HIS B 53 -6.534 -10.517 -18.012 1.00 0.00 C ATOM 2227 O HIS B 53 -6.268 -9.354 -18.312 1.00 0.00 O ATOM 2228 CB HIS B 53 -5.965 -11.554 -20.219 1.00 0.00 C ATOM 2229 CG HIS B 53 -6.252 -12.610 -21.237 1.00 0.00 C ATOM 2230 ND1 HIS B 53 -5.894 -13.928 -21.070 1.00 0.00 N ATOM 2231 CD2 HIS B 53 -6.887 -12.542 -22.431 1.00 0.00 C ATOM 2232 CE1 HIS B 53 -6.296 -14.625 -22.115 1.00 0.00 C ATOM 2233 NE2 HIS B 53 -6.903 -13.809 -22.958 1.00 0.00 N ATOM 0 H HIS B 53 -8.420 -10.171 -19.804 1.00 0.00 H new ATOM 0 HA HIS B 53 -7.044 -12.503 -18.624 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -5.944 -10.582 -20.712 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -4.971 -11.722 -19.804 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -7.304 -11.655 -22.885 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -6.153 -15.686 -22.258 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -7.315 -14.076 -23.852 1.00 0.00 H new ATOM 2242 N ASN B 54 -6.458 -10.971 -16.771 1.00 0.00 N ATOM 2243 CA ASN B 54 -6.067 -10.104 -15.668 1.00 0.00 C ATOM 2244 C ASN B 54 -4.625 -10.396 -15.272 1.00 0.00 C ATOM 2245 O ASN B 54 -4.309 -11.494 -14.810 1.00 0.00 O ATOM 2246 CB ASN B 54 -7.000 -10.319 -14.473 1.00 0.00 C ATOM 2247 CG ASN B 54 -6.979 -9.183 -13.457 1.00 0.00 C ATOM 2248 OD1 ASN B 54 -5.855 -8.489 -13.325 1.00 0.00 O flip ATOM 2249 ND2 ASN B 54 -7.980 -8.926 -12.792 1.00 0.00 N flip ATOM 0 H ASN B 54 -6.661 -11.933 -16.501 1.00 0.00 H new ATOM 0 HA ASN B 54 -6.144 -9.064 -15.985 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -8.019 -10.446 -14.839 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -6.723 -11.246 -13.971 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -8.830 -9.477 -12.915 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -7.961 -8.162 -12.117 1.00 0.00 H new ATOM 2256 N GLN B 55 -3.753 -9.415 -15.461 1.00 0.00 N ATOM 2257 CA GLN B 55 -2.331 -9.595 -15.191 1.00 0.00 C ATOM 2258 C GLN B 55 -1.904 -8.793 -13.969 1.00 0.00 C ATOM 2259 O GLN B 55 -2.586 -7.852 -13.568 1.00 0.00 O ATOM 2260 CB GLN B 55 -1.480 -9.188 -16.402 1.00 0.00 C ATOM 2261 CG GLN B 55 -1.345 -10.262 -17.475 1.00 0.00 C ATOM 2262 CD GLN B 55 -2.645 -10.595 -18.184 1.00 0.00 C ATOM 2263 OE1 GLN B 55 -3.380 -11.495 -17.777 1.00 0.00 O ATOM 2264 NE2 GLN B 55 -2.934 -9.877 -19.256 1.00 0.00 N ATOM 0 H GLN B 55 -4.004 -8.486 -15.800 1.00 0.00 H new ATOM 0 HA GLN B 55 -2.169 -10.654 -14.992 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -1.916 -8.296 -16.852 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -0.484 -8.914 -16.054 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -0.614 -9.933 -18.214 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -0.950 -11.169 -17.018 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -2.299 -9.139 -19.562 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -3.792 -10.061 -19.777 1.00 0.00 H new ATOM 2273 N CYS B 56 -0.799 -9.196 -13.359 1.00 0.00 N ATOM 2274 CA CYS B 56 -0.240 -8.470 -12.230 1.00 0.00 C ATOM 2275 C CYS B 56 1.193 -8.044 -12.533 1.00 0.00 C ATOM 2276 O CYS B 56 2.119 -8.857 -12.481 1.00 0.00 O ATOM 2277 CB CYS B 56 -0.279 -9.333 -10.968 1.00 0.00 C ATOM 2278 SG CYS B 56 -1.941 -9.866 -10.503 1.00 0.00 S ATOM 0 H CYS B 56 -0.270 -10.026 -13.629 1.00 0.00 H new ATOM 0 HA CYS B 56 -0.842 -7.578 -12.059 1.00 0.00 H new ATOM 0 HB2 CYS B 56 0.346 -10.213 -11.121 1.00 0.00 H new ATOM 0 HB3 CYS B 56 0.158 -8.772 -10.142 1.00 0.00 H new ATOM 0 HG CYS B 56 -1.879 -10.592 -9.427 1.00 0.00 H new ATOM 2284 N LYS B 57 1.370 -6.763 -12.836 1.00 0.00 N ATOM 2285 CA LYS B 57 2.663 -6.232 -13.257 1.00 0.00 C ATOM 2286 C LYS B 57 3.562 -5.931 -12.066 1.00 0.00 C ATOM 2287 O LYS B 57 3.943 -4.783 -11.843 1.00 0.00 O ATOM 2288 CB LYS B 57 2.466 -4.958 -14.075 1.00 0.00 C ATOM 2289 CG LYS B 57 1.849 -5.188 -15.442 1.00 0.00 C ATOM 2290 CD LYS B 57 1.558 -3.873 -16.147 1.00 0.00 C ATOM 2291 CE LYS B 57 2.785 -2.970 -16.203 1.00 0.00 C ATOM 2292 NZ LYS B 57 3.936 -3.616 -16.890 1.00 0.00 N ATOM 0 H LYS B 57 0.626 -6.066 -12.797 1.00 0.00 H new ATOM 0 HA LYS B 57 3.147 -6.995 -13.867 1.00 0.00 H new ATOM 0 HB2 LYS B 57 1.832 -4.273 -13.513 1.00 0.00 H new ATOM 0 HB3 LYS B 57 3.431 -4.468 -14.202 1.00 0.00 H new ATOM 0 HG2 LYS B 57 2.525 -5.788 -16.052 1.00 0.00 H new ATOM 0 HG3 LYS B 57 0.926 -5.757 -15.335 1.00 0.00 H new ATOM 0 HD2 LYS B 57 1.210 -4.074 -17.160 1.00 0.00 H new ATOM 0 HD3 LYS B 57 0.750 -3.355 -15.629 1.00 0.00 H new ATOM 0 HE2 LYS B 57 2.529 -2.046 -16.721 1.00 0.00 H new ATOM 0 HE3 LYS B 57 3.078 -2.697 -15.189 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 4.722 -2.939 -16.962 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 4.244 -4.447 -16.345 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 3.648 -3.915 -17.844 1.00 0.00 H new ATOM 2306 N LEU B 58 3.899 -6.960 -11.306 1.00 0.00 N ATOM 2307 CA LEU B 58 4.766 -6.790 -10.152 1.00 0.00 C ATOM 2308 C LEU B 58 5.339 -8.130 -9.710 1.00 0.00 C ATOM 2309 O LEU B 58 6.541 -8.363 -9.797 1.00 0.00 O ATOM 2310 CB LEU B 58 3.992 -6.152 -8.992 1.00 0.00 C ATOM 2311 CG LEU B 58 4.834 -5.302 -8.041 1.00 0.00 C ATOM 2312 CD1 LEU B 58 5.138 -3.948 -8.662 1.00 0.00 C ATOM 2313 CD2 LEU B 58 4.128 -5.136 -6.708 1.00 0.00 C ATOM 0 H LEU B 58 3.587 -7.918 -11.466 1.00 0.00 H new ATOM 0 HA LEU B 58 5.587 -6.132 -10.438 1.00 0.00 H new ATOM 0 HB2 LEU B 58 3.198 -5.530 -9.404 1.00 0.00 H new ATOM 0 HB3 LEU B 58 3.511 -6.944 -8.418 1.00 0.00 H new ATOM 0 HG LEU B 58 5.779 -5.816 -7.865 1.00 0.00 H new ATOM 0 HD11 LEU B 58 5.738 -3.357 -7.970 1.00 0.00 H new ATOM 0 HD12 LEU B 58 5.690 -4.090 -9.591 1.00 0.00 H new ATOM 0 HD13 LEU B 58 4.204 -3.425 -8.870 1.00 0.00 H new ATOM 0 HD21 LEU B 58 4.743 -4.528 -6.044 1.00 0.00 H new ATOM 0 HD22 LEU B 58 3.167 -4.645 -6.864 1.00 0.00 H new ATOM 0 HD23 LEU B 58 3.966 -6.115 -6.257 1.00 0.00 H new ATOM 2325 N CYS B 59 4.465 -9.022 -9.269 1.00 0.00 N ATOM 2326 CA CYS B 59 4.882 -10.285 -8.669 1.00 0.00 C ATOM 2327 C CYS B 59 4.980 -11.411 -9.699 1.00 0.00 C ATOM 2328 O CYS B 59 5.078 -12.585 -9.335 1.00 0.00 O ATOM 2329 CB CYS B 59 3.896 -10.662 -7.566 1.00 0.00 C ATOM 2330 SG CYS B 59 2.170 -10.363 -8.012 1.00 0.00 S ATOM 0 H CYS B 59 3.454 -8.895 -9.315 1.00 0.00 H new ATOM 0 HA CYS B 59 5.880 -10.150 -8.252 1.00 0.00 H new ATOM 0 HB2 CYS B 59 4.023 -11.716 -7.321 1.00 0.00 H new ATOM 0 HB3 CYS B 59 4.134 -10.095 -6.666 1.00 0.00 H new ATOM 0 HG CYS B 59 1.400 -10.711 -7.024 1.00 0.00 H new ATOM 2336 N GLY B 60 4.952 -11.049 -10.977 1.00 0.00 N ATOM 2337 CA GLY B 60 5.073 -12.036 -12.035 1.00 0.00 C ATOM 2338 C GLY B 60 3.978 -13.083 -11.974 1.00 0.00 C ATOM 2339 O GLY B 60 4.257 -14.283 -11.888 1.00 0.00 O ATOM 0 H GLY B 60 4.847 -10.087 -11.300 1.00 0.00 H new ATOM 0 HA2 GLY B 60 5.039 -11.534 -13.002 1.00 0.00 H new ATOM 0 HA3 GLY B 60 6.044 -12.525 -11.963 1.00 0.00 H new ATOM 2343 N ALA B 61 2.735 -12.629 -12.007 1.00 0.00 N ATOM 2344 CA ALA B 61 1.595 -13.523 -11.923 1.00 0.00 C ATOM 2345 C ALA B 61 0.464 -13.032 -12.814 1.00 0.00 C ATOM 2346 O ALA B 61 0.337 -11.834 -13.066 1.00 0.00 O ATOM 2347 CB ALA B 61 1.122 -13.648 -10.482 1.00 0.00 C ATOM 0 H ALA B 61 2.491 -11.642 -12.092 1.00 0.00 H new ATOM 0 HA ALA B 61 1.904 -14.508 -12.272 1.00 0.00 H new ATOM 0 HB1 ALA B 61 0.267 -14.322 -10.437 1.00 0.00 H new ATOM 0 HB2 ALA B 61 1.930 -14.045 -9.867 1.00 0.00 H new ATOM 0 HB3 ALA B 61 0.831 -12.666 -10.108 1.00 0.00 H new ATOM 2353 N SER B 62 -0.332 -13.961 -13.313 1.00 0.00 N ATOM 2354 CA SER B 62 -1.483 -13.628 -14.135 1.00 0.00 C ATOM 2355 C SER B 62 -2.628 -14.587 -13.833 1.00 0.00 C ATOM 2356 O SER B 62 -2.398 -15.712 -13.392 1.00 0.00 O ATOM 2357 CB SER B 62 -1.105 -13.698 -15.618 1.00 0.00 C ATOM 2358 OG SER B 62 0.013 -12.868 -15.895 1.00 0.00 O ATOM 0 H SER B 62 -0.201 -14.961 -13.162 1.00 0.00 H new ATOM 0 HA SER B 62 -1.806 -12.612 -13.906 1.00 0.00 H new ATOM 0 HB2 SER B 62 -0.875 -14.728 -15.891 1.00 0.00 H new ATOM 0 HB3 SER B 62 -1.953 -13.388 -16.229 1.00 0.00 H new ATOM 0 HG SER B 62 0.337 -13.048 -16.802 1.00 0.00 H new ATOM 2364 N VAL B 63 -3.853 -14.140 -14.054 1.00 0.00 N ATOM 2365 CA VAL B 63 -5.022 -14.975 -13.818 1.00 0.00 C ATOM 2366 C VAL B 63 -5.973 -14.888 -15.015 1.00 0.00 C ATOM 2367 O VAL B 63 -6.151 -13.815 -15.598 1.00 0.00 O ATOM 2368 CB VAL B 63 -5.745 -14.575 -12.499 1.00 0.00 C ATOM 2369 CG1 VAL B 63 -6.316 -13.171 -12.575 1.00 0.00 C ATOM 2370 CG2 VAL B 63 -6.836 -15.566 -12.135 1.00 0.00 C ATOM 0 H VAL B 63 -4.065 -13.203 -14.397 1.00 0.00 H new ATOM 0 HA VAL B 63 -4.693 -16.008 -13.706 1.00 0.00 H new ATOM 0 HB VAL B 63 -4.991 -14.593 -11.712 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -6.813 -12.929 -11.635 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -5.510 -12.459 -12.753 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -7.036 -13.115 -13.391 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -7.318 -15.253 -11.209 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -7.576 -15.602 -12.934 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -6.399 -16.555 -12.000 1.00 0.00 H new ATOM 2380 N PRO B 64 -6.567 -16.025 -15.425 1.00 0.00 N ATOM 2381 CA PRO B 64 -7.487 -16.078 -16.571 1.00 0.00 C ATOM 2382 C PRO B 64 -8.805 -15.347 -16.326 1.00 0.00 C ATOM 2383 O PRO B 64 -9.670 -15.321 -17.206 1.00 0.00 O ATOM 2384 CB PRO B 64 -7.747 -17.576 -16.755 1.00 0.00 C ATOM 2385 CG PRO B 64 -7.470 -18.178 -15.424 1.00 0.00 C ATOM 2386 CD PRO B 64 -6.358 -17.361 -14.835 1.00 0.00 C ATOM 0 HA PRO B 64 -7.054 -15.586 -17.442 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -8.774 -17.763 -17.067 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -7.098 -17.998 -17.522 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -8.356 -18.150 -14.789 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -7.179 -19.224 -15.520 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -6.413 -17.333 -13.747 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -5.380 -17.767 -15.095 1.00 0.00 H new ATOM 2394 N TRP B 65 -8.946 -14.767 -15.128 1.00 0.00 N ATOM 2395 CA TRP B 65 -10.152 -14.043 -14.731 1.00 0.00 C ATOM 2396 C TRP B 65 -11.322 -15.011 -14.520 1.00 0.00 C ATOM 2397 O TRP B 65 -11.360 -16.088 -15.117 1.00 0.00 O ATOM 2398 CB TRP B 65 -10.482 -12.951 -15.767 1.00 0.00 C ATOM 2399 CG TRP B 65 -11.871 -12.392 -15.671 1.00 0.00 C ATOM 2400 CD1 TRP B 65 -12.940 -12.758 -16.427 1.00 0.00 C ATOM 2401 CD2 TRP B 65 -12.338 -11.368 -14.783 1.00 0.00 C ATOM 2402 NE1 TRP B 65 -14.047 -12.035 -16.065 1.00 0.00 N ATOM 2403 CE2 TRP B 65 -13.706 -11.177 -15.054 1.00 0.00 C ATOM 2404 CE3 TRP B 65 -11.738 -10.605 -13.780 1.00 0.00 C ATOM 2405 CZ2 TRP B 65 -14.479 -10.247 -14.368 1.00 0.00 C ATOM 2406 CZ3 TRP B 65 -12.508 -9.680 -13.095 1.00 0.00 C ATOM 2407 CH2 TRP B 65 -13.867 -9.512 -13.390 1.00 0.00 C ATOM 0 H TRP B 65 -8.224 -14.789 -14.408 1.00 0.00 H new ATOM 0 HA TRP B 65 -9.972 -13.548 -13.777 1.00 0.00 H new ATOM 0 HB2 TRP B 65 -9.768 -12.135 -15.654 1.00 0.00 H new ATOM 0 HB3 TRP B 65 -10.339 -13.363 -16.766 1.00 0.00 H new ATOM 0 HD1 TRP B 65 -12.920 -13.510 -17.202 1.00 0.00 H new ATOM 0 HE1 TRP B 65 -14.974 -12.122 -16.481 1.00 0.00 H new ATOM 0 HE3 TRP B 65 -10.692 -10.734 -13.542 1.00 0.00 H new ATOM 0 HZ2 TRP B 65 -15.525 -10.110 -14.599 1.00 0.00 H new ATOM 0 HZ3 TRP B 65 -12.054 -9.079 -12.321 1.00 0.00 H new ATOM 0 HH2 TRP B 65 -14.443 -8.787 -12.834 1.00 0.00 H new ATOM 2418 N LEU B 66 -12.228 -14.643 -13.610 1.00 0.00 N ATOM 2419 CA LEU B 66 -13.442 -15.416 -13.321 1.00 0.00 C ATOM 2420 C LEU B 66 -13.142 -16.628 -12.436 1.00 0.00 C ATOM 2421 O LEU B 66 -13.841 -16.864 -11.448 1.00 0.00 O ATOM 2422 CB LEU B 66 -14.143 -15.860 -14.612 1.00 0.00 C ATOM 2423 CG LEU B 66 -15.420 -16.678 -14.418 1.00 0.00 C ATOM 2424 CD1 LEU B 66 -16.517 -15.827 -13.797 1.00 0.00 C ATOM 2425 CD2 LEU B 66 -15.879 -17.265 -15.743 1.00 0.00 C ATOM 0 H LEU B 66 -12.141 -13.796 -13.049 1.00 0.00 H new ATOM 0 HA LEU B 66 -14.116 -14.756 -12.774 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -14.386 -14.973 -15.197 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -13.441 -16.449 -15.202 1.00 0.00 H new ATOM 0 HG LEU B 66 -15.202 -17.499 -13.734 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -17.416 -16.430 -13.668 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -16.186 -15.458 -12.826 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -16.737 -14.983 -14.451 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -16.789 -17.845 -15.588 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -16.078 -16.459 -16.449 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -15.100 -17.913 -16.143 1.00 0.00 H new ATOM 2437 N GLN B 67 -12.106 -17.388 -12.788 1.00 0.00 N ATOM 2438 CA GLN B 67 -11.725 -18.574 -12.023 1.00 0.00 C ATOM 2439 C GLN B 67 -11.381 -18.180 -10.589 1.00 0.00 C ATOM 2440 O GLN B 67 -11.794 -18.836 -9.635 1.00 0.00 O ATOM 2441 CB GLN B 67 -10.536 -19.281 -12.694 1.00 0.00 C ATOM 2442 CG GLN B 67 -10.479 -20.781 -12.427 1.00 0.00 C ATOM 2443 CD GLN B 67 -9.964 -21.139 -11.044 1.00 0.00 C ATOM 2444 OE1 GLN B 67 -8.963 -20.413 -10.566 1.00 0.00 O flip ATOM 2445 NE2 GLN B 67 -10.427 -22.103 -10.432 1.00 0.00 N flip ATOM 0 H GLN B 67 -11.515 -17.203 -13.599 1.00 0.00 H new ATOM 0 HA GLN B 67 -12.565 -19.268 -12.000 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -10.587 -19.115 -13.770 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -9.610 -18.824 -12.345 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -11.477 -21.201 -12.553 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -9.839 -21.250 -13.175 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -11.198 -22.638 -10.832 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -10.039 -22.366 -9.526 1.00 0.00 H new ATOM 2454 N THR B 68 -10.634 -17.096 -10.447 1.00 0.00 N ATOM 2455 CA THR B 68 -10.316 -16.544 -9.139 1.00 0.00 C ATOM 2456 C THR B 68 -9.817 -15.112 -9.286 1.00 0.00 C ATOM 2457 O THR B 68 -9.401 -14.699 -10.372 1.00 0.00 O ATOM 2458 CB THR B 68 -9.257 -17.390 -8.387 1.00 0.00 C ATOM 2459 OG1 THR B 68 -8.980 -16.805 -7.106 1.00 0.00 O ATOM 2460 CG2 THR B 68 -7.964 -17.492 -9.184 1.00 0.00 C ATOM 0 H THR B 68 -10.234 -16.577 -11.229 1.00 0.00 H new ATOM 0 HA THR B 68 -11.232 -16.561 -8.549 1.00 0.00 H new ATOM 0 HB THR B 68 -9.663 -18.393 -8.256 1.00 0.00 H new ATOM 0 HG1 THR B 68 -8.311 -17.346 -6.637 1.00 0.00 H new ATOM 0 HG21 THR B 68 -7.241 -18.091 -8.630 1.00 0.00 H new ATOM 0 HG22 THR B 68 -8.166 -17.964 -10.146 1.00 0.00 H new ATOM 0 HG23 THR B 68 -7.558 -16.494 -9.348 1.00 0.00 H new ATOM 2468 N GLY B 69 -9.882 -14.352 -8.206 1.00 0.00 N ATOM 2469 CA GLY B 69 -9.379 -12.997 -8.225 1.00 0.00 C ATOM 2470 C GLY B 69 -8.257 -12.812 -7.230 1.00 0.00 C ATOM 2471 O GLY B 69 -7.839 -11.691 -6.954 1.00 0.00 O ATOM 0 H GLY B 69 -10.276 -14.651 -7.314 1.00 0.00 H new ATOM 0 HA2 GLY B 69 -9.024 -12.753 -9.226 1.00 0.00 H new ATOM 0 HA3 GLY B 69 -10.188 -12.304 -7.996 1.00 0.00 H new ATOM 2543 N HIS B 74 2.663 -15.404 -6.174 1.00 0.00 N ATOM 2544 CA HIS B 74 3.786 -16.001 -6.892 1.00 0.00 C ATOM 2545 C HIS B 74 5.111 -15.372 -6.459 1.00 0.00 C ATOM 2546 O HIS B 74 6.182 -15.768 -6.919 1.00 0.00 O ATOM 2547 CB HIS B 74 3.581 -15.846 -8.402 1.00 0.00 C ATOM 2548 CG HIS B 74 4.269 -16.901 -9.212 1.00 0.00 C ATOM 2549 ND1 HIS B 74 4.804 -16.667 -10.459 1.00 0.00 N ATOM 2550 CD2 HIS B 74 4.478 -18.213 -8.955 1.00 0.00 C ATOM 2551 CE1 HIS B 74 5.313 -17.789 -10.933 1.00 0.00 C ATOM 2552 NE2 HIS B 74 5.128 -18.744 -10.037 1.00 0.00 N ATOM 0 HA HIS B 74 3.828 -17.063 -6.649 1.00 0.00 H new ATOM 0 HB2 HIS B 74 2.513 -15.871 -8.620 1.00 0.00 H new ATOM 0 HB3 HIS B 74 3.946 -14.867 -8.711 1.00 0.00 H new ATOM 0 HD1 HIS B 74 4.807 -15.768 -10.941 1.00 0.00 H new ATOM 0 HD2 HIS B 74 4.186 -18.744 -8.061 1.00 0.00 H new ATOM 0 HE1 HIS B 74 5.798 -17.907 -11.891 1.00 0.00 H new ATOM 2561 N ALA B 75 5.019 -14.394 -5.575 1.00 0.00 N ATOM 2562 CA ALA B 75 6.183 -13.763 -4.975 1.00 0.00 C ATOM 2563 C ALA B 75 5.811 -13.275 -3.586 1.00 0.00 C ATOM 2564 O ALA B 75 4.657 -12.925 -3.346 1.00 0.00 O ATOM 2565 CB ALA B 75 6.687 -12.617 -5.838 1.00 0.00 C ATOM 0 H ALA B 75 4.130 -14.013 -5.251 1.00 0.00 H new ATOM 0 HA ALA B 75 6.992 -14.489 -4.901 1.00 0.00 H new ATOM 0 HB1 ALA B 75 7.558 -12.162 -5.366 1.00 0.00 H new ATOM 0 HB2 ALA B 75 6.964 -12.997 -6.822 1.00 0.00 H new ATOM 0 HB3 ALA B 75 5.901 -11.869 -5.945 1.00 0.00 H new ATOM 2571 N ASP B 76 6.763 -13.281 -2.668 1.00 0.00 N ATOM 2572 CA ASP B 76 6.476 -12.926 -1.282 1.00 0.00 C ATOM 2573 C ASP B 76 7.061 -11.564 -0.928 1.00 0.00 C ATOM 2574 O ASP B 76 6.601 -10.905 0.000 1.00 0.00 O ATOM 2575 CB ASP B 76 7.036 -14.002 -0.344 1.00 0.00 C ATOM 2576 CG ASP B 76 6.623 -13.809 1.104 1.00 0.00 C ATOM 2577 OD1 ASP B 76 5.482 -14.176 1.455 1.00 0.00 O ATOM 2578 OD2 ASP B 76 7.449 -13.327 1.908 1.00 0.00 O ATOM 0 H ASP B 76 7.736 -13.526 -2.852 1.00 0.00 H new ATOM 0 HA ASP B 76 5.394 -12.867 -1.161 1.00 0.00 H new ATOM 0 HB2 ASP B 76 6.699 -14.981 -0.683 1.00 0.00 H new ATOM 0 HB3 ASP B 76 8.124 -14.000 -0.408 1.00 0.00 H new ATOM 2583 N ASP B 77 8.057 -11.139 -1.695 1.00 0.00 N ATOM 2584 CA ASP B 77 8.790 -9.908 -1.398 1.00 0.00 C ATOM 2585 C ASP B 77 8.177 -8.695 -2.094 1.00 0.00 C ATOM 2586 O ASP B 77 8.597 -7.561 -1.865 1.00 0.00 O ATOM 2587 CB ASP B 77 10.253 -10.050 -1.818 1.00 0.00 C ATOM 2588 CG ASP B 77 10.449 -10.053 -3.323 1.00 0.00 C ATOM 2589 OD1 ASP B 77 9.727 -10.791 -4.028 1.00 0.00 O ATOM 2590 OD2 ASP B 77 11.337 -9.317 -3.809 1.00 0.00 O ATOM 0 H ASP B 77 8.379 -11.628 -2.530 1.00 0.00 H new ATOM 0 HA ASP B 77 8.727 -9.747 -0.322 1.00 0.00 H new ATOM 0 HB2 ASP B 77 10.829 -9.232 -1.385 1.00 0.00 H new ATOM 0 HB3 ASP B 77 10.654 -10.975 -1.405 1.00 0.00 H new ATOM 2595 N CYS B 78 7.189 -8.936 -2.942 1.00 0.00 N ATOM 2596 CA CYS B 78 6.533 -7.856 -3.671 1.00 0.00 C ATOM 2597 C CYS B 78 5.556 -7.104 -2.771 1.00 0.00 C ATOM 2598 O CYS B 78 4.750 -7.719 -2.076 1.00 0.00 O ATOM 2599 CB CYS B 78 5.813 -8.411 -4.898 1.00 0.00 C ATOM 2600 SG CYS B 78 6.915 -9.236 -6.067 1.00 0.00 S ATOM 0 H CYS B 78 6.823 -9.866 -3.144 1.00 0.00 H new ATOM 0 HA CYS B 78 7.296 -7.151 -4.001 1.00 0.00 H new ATOM 0 HB2 CYS B 78 5.048 -9.116 -4.573 1.00 0.00 H new ATOM 0 HB3 CYS B 78 5.300 -7.596 -5.408 1.00 0.00 H new ATOM 0 HG CYS B 78 7.017 -8.520 -7.147 1.00 0.00 H new ATOM 2606 N PRO B 79 5.618 -5.756 -2.790 1.00 0.00 N ATOM 2607 CA PRO B 79 4.820 -4.885 -1.906 1.00 0.00 C ATOM 2608 C PRO B 79 3.336 -5.250 -1.850 1.00 0.00 C ATOM 2609 O PRO B 79 2.743 -5.281 -0.772 1.00 0.00 O ATOM 2610 CB PRO B 79 5.000 -3.503 -2.530 1.00 0.00 C ATOM 2611 CG PRO B 79 6.339 -3.559 -3.175 1.00 0.00 C ATOM 2612 CD PRO B 79 6.500 -4.969 -3.675 1.00 0.00 C ATOM 0 HA PRO B 79 5.152 -4.966 -0.871 1.00 0.00 H new ATOM 0 HB2 PRO B 79 4.217 -3.291 -3.258 1.00 0.00 H new ATOM 0 HB3 PRO B 79 4.955 -2.718 -1.776 1.00 0.00 H new ATOM 0 HG2 PRO B 79 6.407 -2.844 -3.995 1.00 0.00 H new ATOM 0 HG3 PRO B 79 7.125 -3.305 -2.464 1.00 0.00 H new ATOM 0 HD2 PRO B 79 6.203 -5.060 -4.720 1.00 0.00 H new ATOM 0 HD3 PRO B 79 7.536 -5.302 -3.608 1.00 0.00 H new ATOM 2620 N VAL B 80 2.742 -5.522 -3.009 1.00 0.00 N ATOM 2621 CA VAL B 80 1.332 -5.901 -3.075 1.00 0.00 C ATOM 2622 C VAL B 80 1.065 -7.154 -2.238 1.00 0.00 C ATOM 2623 O VAL B 80 0.089 -7.219 -1.488 1.00 0.00 O ATOM 2624 CB VAL B 80 0.876 -6.139 -4.537 1.00 0.00 C ATOM 2625 CG1 VAL B 80 -0.533 -6.712 -4.590 1.00 0.00 C ATOM 2626 CG2 VAL B 80 0.947 -4.842 -5.332 1.00 0.00 C ATOM 0 H VAL B 80 3.213 -5.487 -3.913 1.00 0.00 H new ATOM 0 HA VAL B 80 0.755 -5.071 -2.666 1.00 0.00 H new ATOM 0 HB VAL B 80 1.553 -6.867 -4.984 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.824 -6.868 -5.629 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -0.559 -7.664 -4.060 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -1.227 -6.015 -4.120 1.00 0.00 H new ATOM 0 HG21 VAL B 80 0.624 -5.025 -6.357 1.00 0.00 H new ATOM 0 HG22 VAL B 80 0.296 -4.098 -4.873 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.973 -4.473 -5.336 1.00 0.00 H new ATOM 2636 N VAL B 81 1.945 -8.135 -2.351 1.00 0.00 N ATOM 2637 CA VAL B 81 1.790 -9.380 -1.618 1.00 0.00 C ATOM 2638 C VAL B 81 2.127 -9.174 -0.140 1.00 0.00 C ATOM 2639 O VAL B 81 1.504 -9.775 0.733 1.00 0.00 O ATOM 2640 CB VAL B 81 2.667 -10.502 -2.208 1.00 0.00 C ATOM 2641 CG1 VAL B 81 2.218 -11.853 -1.677 1.00 0.00 C ATOM 2642 CG2 VAL B 81 2.619 -10.482 -3.730 1.00 0.00 C ATOM 0 H VAL B 81 2.774 -8.093 -2.943 1.00 0.00 H new ATOM 0 HA VAL B 81 0.748 -9.687 -1.710 1.00 0.00 H new ATOM 0 HB VAL B 81 3.699 -10.331 -1.900 1.00 0.00 H new ATOM 0 HG11 VAL B 81 2.845 -12.637 -2.101 1.00 0.00 H new ATOM 0 HG12 VAL B 81 2.307 -11.865 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL B 81 1.179 -12.027 -1.958 1.00 0.00 H new ATOM 0 HG21 VAL B 81 3.245 -11.282 -4.124 1.00 0.00 H new ATOM 0 HG22 VAL B 81 1.592 -10.627 -4.064 1.00 0.00 H new ATOM 0 HG23 VAL B 81 2.986 -9.522 -4.093 1.00 0.00 H new ATOM 2652 N ILE B 82 3.107 -8.309 0.130 1.00 0.00 N ATOM 2653 CA ILE B 82 3.477 -7.951 1.501 1.00 0.00 C ATOM 2654 C ILE B 82 2.243 -7.494 2.275 1.00 0.00 C ATOM 2655 O ILE B 82 2.001 -7.931 3.403 1.00 0.00 O ATOM 2656 CB ILE B 82 4.534 -6.817 1.528 1.00 0.00 C ATOM 2657 CG1 ILE B 82 5.852 -7.272 0.893 1.00 0.00 C ATOM 2658 CG2 ILE B 82 4.776 -6.343 2.957 1.00 0.00 C ATOM 2659 CD1 ILE B 82 6.647 -8.235 1.750 1.00 0.00 C ATOM 0 H ILE B 82 3.661 -7.841 -0.587 1.00 0.00 H new ATOM 0 HA ILE B 82 3.905 -8.839 1.966 1.00 0.00 H new ATOM 0 HB ILE B 82 4.143 -5.985 0.942 1.00 0.00 H new ATOM 0 HG12 ILE B 82 5.638 -7.746 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE B 82 6.465 -6.395 0.685 1.00 0.00 H new ATOM 0 HG21 ILE B 82 5.521 -5.547 2.955 1.00 0.00 H new ATOM 0 HG22 ILE B 82 3.844 -5.967 3.378 1.00 0.00 H new ATOM 0 HG23 ILE B 82 5.137 -7.176 3.560 1.00 0.00 H new ATOM 0 HD11 ILE B 82 7.566 -8.510 1.232 1.00 0.00 H new ATOM 0 HD12 ILE B 82 6.894 -7.759 2.699 1.00 0.00 H new ATOM 0 HD13 ILE B 82 6.054 -9.130 1.937 1.00 0.00 H new ATOM 2671 N ALA B 83 1.452 -6.635 1.638 1.00 0.00 N ATOM 2672 CA ALA B 83 0.234 -6.115 2.239 1.00 0.00 C ATOM 2673 C ALA B 83 -0.721 -7.248 2.595 1.00 0.00 C ATOM 2674 O ALA B 83 -1.398 -7.199 3.623 1.00 0.00 O ATOM 2675 CB ALA B 83 -0.433 -5.126 1.294 1.00 0.00 C ATOM 0 H ALA B 83 1.638 -6.284 0.698 1.00 0.00 H new ATOM 0 HA ALA B 83 0.496 -5.596 3.161 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -1.344 -4.742 1.753 1.00 0.00 H new ATOM 0 HB2 ALA B 83 0.248 -4.299 1.093 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -0.681 -5.627 0.359 1.00 0.00 H new ATOM 2681 N LYS B 84 -0.753 -8.278 1.754 1.00 0.00 N ATOM 2682 CA LYS B 84 -1.613 -9.428 1.995 1.00 0.00 C ATOM 2683 C LYS B 84 -1.187 -10.164 3.260 1.00 0.00 C ATOM 2684 O LYS B 84 -2.025 -10.543 4.078 1.00 0.00 O ATOM 2685 CB LYS B 84 -1.593 -10.390 0.808 1.00 0.00 C ATOM 2686 CG LYS B 84 -2.148 -9.802 -0.475 1.00 0.00 C ATOM 2687 CD LYS B 84 -2.309 -10.875 -1.537 1.00 0.00 C ATOM 2688 CE LYS B 84 -2.935 -10.321 -2.806 1.00 0.00 C ATOM 2689 NZ LYS B 84 -3.296 -11.406 -3.756 1.00 0.00 N ATOM 0 H LYS B 84 -0.194 -8.338 0.903 1.00 0.00 H new ATOM 0 HA LYS B 84 -2.630 -9.057 2.124 1.00 0.00 H new ATOM 0 HB2 LYS B 84 -0.567 -10.713 0.633 1.00 0.00 H new ATOM 0 HB3 LYS B 84 -2.167 -11.280 1.066 1.00 0.00 H new ATOM 0 HG2 LYS B 84 -3.112 -9.332 -0.278 1.00 0.00 H new ATOM 0 HG3 LYS B 84 -1.481 -9.021 -0.840 1.00 0.00 H new ATOM 0 HD2 LYS B 84 -1.335 -11.306 -1.770 1.00 0.00 H new ATOM 0 HD3 LYS B 84 -2.929 -11.682 -1.148 1.00 0.00 H new ATOM 0 HE2 LYS B 84 -3.826 -9.747 -2.552 1.00 0.00 H new ATOM 0 HE3 LYS B 84 -2.239 -9.633 -3.286 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 -3.720 -10.992 -4.611 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 -2.441 -11.938 -4.017 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 -3.979 -12.048 -3.306 1.00 0.00 H new ATOM 2703 N GLN B 85 0.118 -10.365 3.416 1.00 0.00 N ATOM 2704 CA GLN B 85 0.659 -10.996 4.612 1.00 0.00 C ATOM 2705 C GLN B 85 0.300 -10.202 5.863 1.00 0.00 C ATOM 2706 O GLN B 85 0.023 -10.774 6.918 1.00 0.00 O ATOM 2707 CB GLN B 85 2.181 -11.129 4.512 1.00 0.00 C ATOM 2708 CG GLN B 85 2.655 -12.387 3.795 1.00 0.00 C ATOM 2709 CD GLN B 85 2.503 -12.304 2.292 1.00 0.00 C ATOM 2710 OE1 GLN B 85 1.465 -12.669 1.737 1.00 0.00 O ATOM 2711 NE2 GLN B 85 3.543 -11.830 1.620 1.00 0.00 N ATOM 0 H GLN B 85 0.821 -10.099 2.726 1.00 0.00 H new ATOM 0 HA GLN B 85 0.216 -11.989 4.687 1.00 0.00 H new ATOM 0 HB2 GLN B 85 2.577 -10.257 3.991 1.00 0.00 H new ATOM 0 HB3 GLN B 85 2.602 -11.118 5.517 1.00 0.00 H new ATOM 0 HG2 GLN B 85 3.702 -12.565 4.039 1.00 0.00 H new ATOM 0 HG3 GLN B 85 2.091 -13.243 4.165 1.00 0.00 H new ATOM 0 HE21 GLN B 85 4.383 -11.539 2.120 1.00 0.00 H new ATOM 0 HE22 GLN B 85 3.503 -11.756 0.603 1.00 0.00 H new ATOM 2720 N ILE B 86 0.303 -8.885 5.730 1.00 0.00 N ATOM 2721 CA ILE B 86 0.002 -7.997 6.843 1.00 0.00 C ATOM 2722 C ILE B 86 -1.480 -8.054 7.223 1.00 0.00 C ATOM 2723 O ILE B 86 -1.819 -8.183 8.402 1.00 0.00 O ATOM 2724 CB ILE B 86 0.392 -6.539 6.510 1.00 0.00 C ATOM 2725 CG1 ILE B 86 1.906 -6.426 6.294 1.00 0.00 C ATOM 2726 CG2 ILE B 86 -0.060 -5.597 7.614 1.00 0.00 C ATOM 2727 CD1 ILE B 86 2.370 -5.035 5.915 1.00 0.00 C ATOM 0 H ILE B 86 0.512 -8.404 4.855 1.00 0.00 H new ATOM 0 HA ILE B 86 0.592 -8.340 7.692 1.00 0.00 H new ATOM 0 HB ILE B 86 -0.112 -6.251 5.587 1.00 0.00 H new ATOM 0 HG12 ILE B 86 2.417 -6.733 7.207 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.205 -7.124 5.512 1.00 0.00 H new ATOM 0 HG21 ILE B 86 0.224 -4.576 7.360 1.00 0.00 H new ATOM 0 HG22 ILE B 86 -1.143 -5.656 7.722 1.00 0.00 H new ATOM 0 HG23 ILE B 86 0.414 -5.883 8.553 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.452 -5.036 5.780 1.00 0.00 H new ATOM 0 HD12 ILE B 86 1.888 -4.731 4.985 1.00 0.00 H new ATOM 0 HD13 ILE B 86 2.104 -4.335 6.707 1.00 0.00 H new ATOM 2739 N LEU B 87 -2.358 -7.978 6.225 1.00 0.00 N ATOM 2740 CA LEU B 87 -3.795 -7.905 6.478 1.00 0.00 C ATOM 2741 C LEU B 87 -4.359 -9.243 6.960 1.00 0.00 C ATOM 2742 O LEU B 87 -5.482 -9.302 7.469 1.00 0.00 O ATOM 2743 CB LEU B 87 -4.547 -7.413 5.225 1.00 0.00 C ATOM 2744 CG LEU B 87 -4.412 -8.272 3.957 1.00 0.00 C ATOM 2745 CD1 LEU B 87 -5.343 -9.478 3.991 1.00 0.00 C ATOM 2746 CD2 LEU B 87 -4.686 -7.434 2.718 1.00 0.00 C ATOM 0 H LEU B 87 -2.101 -7.965 5.238 1.00 0.00 H new ATOM 0 HA LEU B 87 -3.947 -7.182 7.279 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -5.606 -7.335 5.472 1.00 0.00 H new ATOM 0 HB3 LEU B 87 -4.199 -6.406 4.993 1.00 0.00 H new ATOM 0 HG LEU B 87 -3.388 -8.643 3.919 1.00 0.00 H new ATOM 0 HD11 LEU B 87 -5.218 -10.060 3.078 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -5.102 -10.100 4.853 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -6.376 -9.138 4.066 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -4.587 -8.056 1.829 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -5.698 -7.031 2.768 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -3.971 -6.613 2.668 1.00 0.00 H new ATOM 2758 N SER B 88 -3.580 -10.309 6.804 1.00 0.00 N ATOM 2759 CA SER B 88 -4.011 -11.642 7.193 1.00 0.00 C ATOM 2760 C SER B 88 -3.878 -11.852 8.704 1.00 0.00 C ATOM 2761 O SER B 88 -3.212 -12.780 9.167 1.00 0.00 O ATOM 2762 CB SER B 88 -3.199 -12.687 6.429 1.00 0.00 C ATOM 2763 OG SER B 88 -3.435 -12.589 5.033 1.00 0.00 O ATOM 0 H SER B 88 -2.641 -10.272 6.408 1.00 0.00 H new ATOM 0 HA SER B 88 -5.066 -11.752 6.940 1.00 0.00 H new ATOM 0 HB2 SER B 88 -2.137 -12.549 6.633 1.00 0.00 H new ATOM 0 HB3 SER B 88 -3.464 -13.685 6.778 1.00 0.00 H new ATOM 0 HG SER B 88 -2.936 -11.828 4.669 1.00 0.00 H new ATOM 2769 N SER B 89 -4.507 -10.972 9.464 1.00 0.00 N ATOM 2770 CA SER B 89 -4.540 -11.089 10.908 1.00 0.00 C ATOM 2771 C SER B 89 -5.534 -12.175 11.312 1.00 0.00 C ATOM 2772 O SER B 89 -6.738 -12.038 11.088 1.00 0.00 O ATOM 2773 CB SER B 89 -4.947 -9.747 11.514 1.00 0.00 C ATOM 2774 OG SER B 89 -4.329 -8.672 10.823 1.00 0.00 O ATOM 0 H SER B 89 -5.006 -10.161 9.098 1.00 0.00 H new ATOM 0 HA SER B 89 -3.552 -11.363 11.278 1.00 0.00 H new ATOM 0 HB2 SER B 89 -6.031 -9.637 11.471 1.00 0.00 H new ATOM 0 HB3 SER B 89 -4.665 -9.718 12.567 1.00 0.00 H new ATOM 0 HG SER B 89 -3.362 -8.696 10.979 1.00 0.00 H new