USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 990 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 56 CYS SG : rot -169:sc= 1.18 USER MOD Set 1.2: B 59 CYS SG : rot 1:sc= -0.26 USER MOD Set 1.3: B 74 HIS :FLIP no HE2:sc= 0.978 F(o=-2.1,f=1.9) USER MOD Set 2.1: A 56 CYS SG : rot -125:sc= 1.22 USER MOD Set 2.2: A 59 CYS SG : rot 180:sc= 1.04 USER MOD Set 3.1: A 55 GLN : amide:sc= 0.973 K(o=2.2,f=-0.68) USER MOD Set 3.2: A 62 SER OG : rot 84:sc= 1.24 USER MOD Set 4.1: A 18 TYR OH : rot 15:sc= 0.906 USER MOD Set 4.2: B 89 SER OG : rot 61:sc= 1.05 USER MOD Single : A 20 GLN : amide:sc= 0.553 K(o=0.55,f=-0.21) USER MOD Single : A 22 MET CE :methyl -177:sc= -0.27 (180deg=-0.298) USER MOD Single : A 23 THR OG1 : rot 33:sc= 0.738 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 141:sc= 1.26 (180deg=0.0711) USER MOD Single : A 35 THR OG1 : rot 142:sc= -1.71! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.8! USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN :FLIP amide:sc= 0.0371 F(o=-1.2,f=0.037) USER MOD Single : A 57 LYS NZ :NH3+ -122:sc= -0.674 (180deg=-0.729) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0.165 K(o=0.16,f=-2.4!) USER MOD Single : A 78 CYS SG : rot -45:sc= 0.121 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN :FLIP amide:sc= -1.33! C(o=-2.4!,f=-1.3!) USER MOD Single : A 88 SER OG : rot -42:sc= 0.647 USER MOD Single : A 89 SER OG : rot -84:sc= 2.26 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= -0.876 K(o=-0.88,f=-1.7) USER MOD Single : B 22 MET CE :methyl 139:sc= -0.242 (180deg=-0.973) USER MOD Single : B 23 THR OG1 : rot 119:sc= 1.13 USER MOD Single : B 25 THR OG1 : rot 122:sc= 0.627 USER MOD Single : B 32 LYS NZ :NH3+ -156:sc= -0.0914 (180deg=-0.506) USER MOD Single : B 35 THR OG1 : rot 75:sc= 1.2 USER MOD Single : B 39 LYS NZ :NH3+ -169:sc= -0.0121 (180deg=-0.172) USER MOD Single : B 40 THR OG1 : rot 168:sc= -0.576 USER MOD Single : B 46 SER OG : rot 180:sc= 0.0203 USER MOD Single : B 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 54 ASN :FLIP amide:sc= -0.852 F(o=-3.3!,f=-0.85) USER MOD Single : B 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 57 LYS NZ :NH3+ 179:sc= 1.5 (180deg=1.48) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 67 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 CYS SG : rot -108:sc= -3.5! USER MOD Single : B 84 LYS NZ :NH3+ 159:sc= -0.208 (180deg=-0.384) USER MOD Single : B 85 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : B 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N LEU A 17 7.622 -6.052 16.551 1.00 0.00 N ATOM 240 CA LEU A 17 8.032 -6.406 15.195 1.00 0.00 C ATOM 241 C LEU A 17 7.132 -7.531 14.689 1.00 0.00 C ATOM 242 O LEU A 17 7.151 -8.637 15.229 1.00 0.00 O ATOM 243 CB LEU A 17 9.509 -6.839 15.176 1.00 0.00 C ATOM 244 CG LEU A 17 10.220 -6.756 13.815 1.00 0.00 C ATOM 245 CD1 LEU A 17 11.721 -6.907 13.997 1.00 0.00 C ATOM 246 CD2 LEU A 17 9.709 -7.819 12.854 1.00 0.00 C ATOM 0 HA LEU A 17 7.932 -5.539 14.541 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.057 -6.221 15.888 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.570 -7.867 15.533 1.00 0.00 H new ATOM 0 HG LEU A 17 10.002 -5.778 13.387 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.213 -6.847 13.026 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.091 -6.110 14.642 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.937 -7.873 14.454 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.233 -7.731 11.902 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.888 -8.808 13.277 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.640 -7.681 12.694 1.00 0.00 H new ATOM 258 N TYR A 18 6.332 -7.245 13.667 1.00 0.00 N ATOM 259 CA TYR A 18 5.371 -8.222 13.167 1.00 0.00 C ATOM 260 C TYR A 18 5.422 -8.358 11.643 1.00 0.00 C ATOM 261 O TYR A 18 5.418 -9.474 11.125 1.00 0.00 O ATOM 262 CB TYR A 18 3.952 -7.847 13.612 1.00 0.00 C ATOM 263 CG TYR A 18 2.898 -8.863 13.220 1.00 0.00 C ATOM 264 CD1 TYR A 18 2.627 -9.959 14.030 1.00 0.00 C ATOM 265 CD2 TYR A 18 2.177 -8.729 12.038 1.00 0.00 C ATOM 266 CE1 TYR A 18 1.672 -10.894 13.672 1.00 0.00 C ATOM 267 CE2 TYR A 18 1.222 -9.660 11.672 1.00 0.00 C ATOM 268 CZ TYR A 18 0.974 -10.740 12.494 1.00 0.00 C ATOM 269 OH TYR A 18 0.024 -11.673 12.134 1.00 0.00 O ATOM 0 H TYR A 18 6.329 -6.353 13.172 1.00 0.00 H new ATOM 0 HA TYR A 18 5.644 -9.188 13.591 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.941 -7.726 14.695 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.690 -6.881 13.181 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.171 -10.083 14.955 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.366 -7.883 11.394 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.475 -11.741 14.313 1.00 0.00 H new ATOM 0 HE2 TYR A 18 0.674 -9.542 10.749 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.199 -12.229 12.910 1.00 0.00 H new ATOM 279 N PHE A 19 5.463 -7.230 10.928 1.00 0.00 N ATOM 280 CA PHE A 19 5.385 -7.254 9.462 1.00 0.00 C ATOM 281 C PHE A 19 6.690 -7.767 8.849 1.00 0.00 C ATOM 282 O PHE A 19 6.983 -8.960 8.894 1.00 0.00 O ATOM 283 CB PHE A 19 5.056 -5.862 8.900 1.00 0.00 C ATOM 284 CG PHE A 19 3.770 -5.263 9.408 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.736 -6.068 9.861 1.00 0.00 C ATOM 286 CD2 PHE A 19 3.599 -3.889 9.424 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.557 -5.513 10.319 1.00 0.00 C ATOM 288 CE2 PHE A 19 2.421 -3.329 9.882 1.00 0.00 C ATOM 289 CZ PHE A 19 1.399 -4.143 10.331 1.00 0.00 C ATOM 0 H PHE A 19 5.549 -6.298 11.333 1.00 0.00 H new ATOM 0 HA PHE A 19 4.580 -7.937 9.192 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.876 -5.185 9.141 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.006 -5.927 7.813 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.854 -7.142 9.856 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.395 -3.248 9.075 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.759 -6.152 10.668 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.300 -2.256 9.889 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.478 -3.707 10.691 1.00 0.00 H new ATOM 299 N GLN A 20 7.474 -6.865 8.277 1.00 0.00 N ATOM 300 CA GLN A 20 8.784 -7.223 7.770 1.00 0.00 C ATOM 301 C GLN A 20 9.856 -6.668 8.697 1.00 0.00 C ATOM 302 O GLN A 20 10.917 -7.267 8.872 1.00 0.00 O ATOM 303 CB GLN A 20 8.971 -6.704 6.342 1.00 0.00 C ATOM 304 CG GLN A 20 10.271 -7.150 5.695 1.00 0.00 C ATOM 305 CD GLN A 20 10.373 -6.752 4.235 1.00 0.00 C ATOM 306 OE1 GLN A 20 11.009 -7.443 3.441 1.00 0.00 O ATOM 307 NE2 GLN A 20 9.757 -5.641 3.867 1.00 0.00 N ATOM 0 H GLN A 20 7.224 -5.884 8.154 1.00 0.00 H new ATOM 0 HA GLN A 20 8.872 -8.309 7.740 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.136 -7.043 5.729 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.936 -5.615 6.353 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.109 -6.720 6.243 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.359 -8.233 5.778 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.239 -5.094 4.554 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.800 -5.332 2.896 1.00 0.00 H new ATOM 316 N GLY A 21 9.564 -5.522 9.302 1.00 0.00 N ATOM 317 CA GLY A 21 10.463 -4.962 10.288 1.00 0.00 C ATOM 318 C GLY A 21 9.936 -3.683 10.905 1.00 0.00 C ATOM 319 O GLY A 21 9.763 -2.683 10.215 1.00 0.00 O ATOM 0 H GLY A 21 8.722 -4.973 9.126 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.634 -5.696 11.075 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.428 -4.764 9.822 1.00 0.00 H new ATOM 323 N MET A 22 9.667 -3.718 12.203 1.00 0.00 N ATOM 324 CA MET A 22 9.305 -2.513 12.935 1.00 0.00 C ATOM 325 C MET A 22 10.562 -1.837 13.463 1.00 0.00 C ATOM 326 O MET A 22 11.667 -2.270 13.149 1.00 0.00 O ATOM 327 CB MET A 22 8.366 -2.819 14.103 1.00 0.00 C ATOM 328 CG MET A 22 6.890 -2.874 13.743 1.00 0.00 C ATOM 329 SD MET A 22 6.437 -4.316 12.759 1.00 0.00 S ATOM 330 CE MET A 22 4.657 -4.122 12.721 1.00 0.00 C ATOM 0 H MET A 22 9.693 -4.566 12.769 1.00 0.00 H new ATOM 0 HA MET A 22 8.782 -1.851 12.245 1.00 0.00 H new ATOM 0 HB2 MET A 22 8.654 -3.775 14.540 1.00 0.00 H new ATOM 0 HB3 MET A 22 8.509 -2.061 14.873 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.301 -2.871 14.660 1.00 0.00 H new ATOM 0 HG3 MET A 22 6.626 -1.971 13.192 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.210 -4.965 12.194 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.273 -4.087 13.741 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.403 -3.196 12.206 1.00 0.00 H new ATOM 340 N THR A 23 10.371 -0.789 14.272 1.00 0.00 N ATOM 341 CA THR A 23 11.465 -0.001 14.862 1.00 0.00 C ATOM 342 C THR A 23 12.458 0.489 13.806 1.00 0.00 C ATOM 343 O THR A 23 13.257 -0.283 13.276 1.00 0.00 O ATOM 344 CB THR A 23 12.202 -0.762 15.993 1.00 0.00 C ATOM 345 OG1 THR A 23 12.642 -2.055 15.557 1.00 0.00 O ATOM 346 CG2 THR A 23 11.297 -0.918 17.208 1.00 0.00 C ATOM 0 H THR A 23 9.444 -0.459 14.540 1.00 0.00 H new ATOM 0 HA THR A 23 10.993 0.874 15.309 1.00 0.00 H new ATOM 0 HB THR A 23 13.078 -0.173 16.264 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.876 -2.017 14.606 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.830 -1.455 17.993 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.007 0.067 17.575 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.405 -1.478 16.928 1.00 0.00 H new ATOM 354 N ASP A 24 12.390 1.792 13.517 1.00 0.00 N ATOM 355 CA ASP A 24 13.161 2.423 12.435 1.00 0.00 C ATOM 356 C ASP A 24 12.616 1.987 11.080 1.00 0.00 C ATOM 357 O ASP A 24 12.083 2.796 10.321 1.00 0.00 O ATOM 358 CB ASP A 24 14.663 2.097 12.523 1.00 0.00 C ATOM 359 CG ASP A 24 15.305 2.576 13.809 1.00 0.00 C ATOM 360 OD1 ASP A 24 15.559 3.786 13.935 1.00 0.00 O ATOM 361 OD2 ASP A 24 15.584 1.731 14.693 1.00 0.00 O ATOM 0 H ASP A 24 11.796 2.445 14.028 1.00 0.00 H new ATOM 0 HA ASP A 24 13.052 3.502 12.547 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.800 1.019 12.436 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.177 2.553 11.677 1.00 0.00 H new ATOM 366 N THR A 25 12.720 0.692 10.810 1.00 0.00 N ATOM 367 CA THR A 25 12.269 0.111 9.554 1.00 0.00 C ATOM 368 C THR A 25 10.753 0.240 9.393 1.00 0.00 C ATOM 369 O THR A 25 10.247 0.306 8.275 1.00 0.00 O ATOM 370 CB THR A 25 12.662 -1.382 9.486 1.00 0.00 C ATOM 371 OG1 THR A 25 14.024 -1.542 9.909 1.00 0.00 O ATOM 372 CG2 THR A 25 12.502 -1.930 8.073 1.00 0.00 C ATOM 0 H THR A 25 13.121 0.014 11.458 1.00 0.00 H new ATOM 0 HA THR A 25 12.753 0.658 8.745 1.00 0.00 H new ATOM 0 HB THR A 25 11.999 -1.939 10.148 1.00 0.00 H new ATOM 0 HG1 THR A 25 14.270 -2.490 9.867 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.786 -2.982 8.057 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.463 -1.830 7.759 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.143 -1.371 7.391 1.00 0.00 H new ATOM 380 N ALA A 26 10.045 0.317 10.519 1.00 0.00 N ATOM 381 CA ALA A 26 8.579 0.311 10.531 1.00 0.00 C ATOM 382 C ALA A 26 7.982 1.381 9.626 1.00 0.00 C ATOM 383 O ALA A 26 6.996 1.137 8.935 1.00 0.00 O ATOM 384 CB ALA A 26 8.069 0.495 11.949 1.00 0.00 C ATOM 0 H ALA A 26 10.467 0.385 11.445 1.00 0.00 H new ATOM 0 HA ALA A 26 8.261 -0.657 10.143 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.979 0.489 11.947 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.435 -0.318 12.576 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.426 1.446 12.344 1.00 0.00 H new ATOM 390 N ALA A 27 8.584 2.559 9.627 1.00 0.00 N ATOM 391 CA ALA A 27 8.063 3.671 8.850 1.00 0.00 C ATOM 392 C ALA A 27 8.224 3.418 7.355 1.00 0.00 C ATOM 393 O ALA A 27 7.333 3.724 6.567 1.00 0.00 O ATOM 394 CB ALA A 27 8.759 4.963 9.250 1.00 0.00 C ATOM 0 H ALA A 27 9.431 2.769 10.155 1.00 0.00 H new ATOM 0 HA ALA A 27 6.998 3.765 9.061 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.360 5.789 8.661 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.587 5.156 10.309 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.830 4.871 9.067 1.00 0.00 H new ATOM 400 N GLU A 28 9.349 2.827 6.980 1.00 0.00 N ATOM 401 CA GLU A 28 9.694 2.656 5.577 1.00 0.00 C ATOM 402 C GLU A 28 9.059 1.385 5.008 1.00 0.00 C ATOM 403 O GLU A 28 8.683 1.335 3.837 1.00 0.00 O ATOM 404 CB GLU A 28 11.217 2.617 5.427 1.00 0.00 C ATOM 405 CG GLU A 28 11.707 2.839 4.008 1.00 0.00 C ATOM 406 CD GLU A 28 11.201 4.139 3.415 1.00 0.00 C ATOM 407 OE1 GLU A 28 11.414 5.204 4.031 1.00 0.00 O ATOM 408 OE2 GLU A 28 10.587 4.095 2.334 1.00 0.00 O ATOM 0 H GLU A 28 10.041 2.456 7.631 1.00 0.00 H new ATOM 0 HA GLU A 28 9.302 3.501 5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.654 3.378 6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.581 1.652 5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.797 2.840 4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.384 2.008 3.381 1.00 0.00 H new ATOM 415 N ASP A 29 8.927 0.373 5.859 1.00 0.00 N ATOM 416 CA ASP A 29 8.350 -0.916 5.469 1.00 0.00 C ATOM 417 C ASP A 29 6.916 -0.737 4.975 1.00 0.00 C ATOM 418 O ASP A 29 6.512 -1.331 3.974 1.00 0.00 O ATOM 419 CB ASP A 29 8.389 -1.881 6.664 1.00 0.00 C ATOM 420 CG ASP A 29 8.068 -3.318 6.289 1.00 0.00 C ATOM 421 OD1 ASP A 29 8.441 -3.736 5.169 1.00 0.00 O ATOM 422 OD2 ASP A 29 7.479 -4.044 7.127 1.00 0.00 O ATOM 0 H ASP A 29 9.215 0.419 6.836 1.00 0.00 H new ATOM 0 HA ASP A 29 8.939 -1.334 4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.379 -1.844 7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.679 -1.543 7.418 1.00 0.00 H new ATOM 427 N VAL A 30 6.159 0.109 5.665 1.00 0.00 N ATOM 428 CA VAL A 30 4.780 0.390 5.281 1.00 0.00 C ATOM 429 C VAL A 30 4.732 1.243 4.010 1.00 0.00 C ATOM 430 O VAL A 30 3.840 1.083 3.172 1.00 0.00 O ATOM 431 CB VAL A 30 4.014 1.104 6.420 1.00 0.00 C ATOM 432 CG1 VAL A 30 2.558 1.336 6.034 1.00 0.00 C ATOM 433 CG2 VAL A 30 4.098 0.302 7.711 1.00 0.00 C ATOM 0 H VAL A 30 6.477 0.612 6.493 1.00 0.00 H new ATOM 0 HA VAL A 30 4.295 -0.566 5.085 1.00 0.00 H new ATOM 0 HB VAL A 30 4.484 2.074 6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.041 1.839 6.851 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.513 1.957 5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.077 0.378 5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.553 0.822 8.499 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.659 -0.684 7.556 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.142 0.193 8.004 1.00 0.00 H new ATOM 443 N ARG A 31 5.711 2.130 3.861 1.00 0.00 N ATOM 444 CA ARG A 31 5.788 3.001 2.689 1.00 0.00 C ATOM 445 C ARG A 31 5.930 2.187 1.415 1.00 0.00 C ATOM 446 O ARG A 31 5.279 2.474 0.414 1.00 0.00 O ATOM 447 CB ARG A 31 6.970 3.960 2.802 1.00 0.00 C ATOM 448 CG ARG A 31 6.814 4.998 3.894 1.00 0.00 C ATOM 449 CD ARG A 31 8.066 5.849 4.038 1.00 0.00 C ATOM 450 NE ARG A 31 7.907 6.875 5.068 1.00 0.00 N ATOM 451 CZ ARG A 31 8.902 7.338 5.825 1.00 0.00 C ATOM 452 NH1 ARG A 31 10.144 6.890 5.661 1.00 0.00 N ATOM 453 NH2 ARG A 31 8.657 8.274 6.734 1.00 0.00 N ATOM 0 H ARG A 31 6.463 2.266 4.536 1.00 0.00 H new ATOM 0 HA ARG A 31 4.861 3.573 2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.876 3.384 2.988 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.106 4.468 1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.961 5.639 3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.599 4.502 4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.913 5.210 4.288 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.295 6.324 3.084 1.00 0.00 H new ATOM 0 HE ARG A 31 6.975 7.261 5.217 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.342 6.185 4.951 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.898 7.251 6.246 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.711 8.636 6.851 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.415 8.631 7.315 1.00 0.00 H new ATOM 467 N LYS A 32 6.771 1.164 1.475 1.00 0.00 N ATOM 468 CA LYS A 32 7.064 0.321 0.324 1.00 0.00 C ATOM 469 C LYS A 32 5.804 -0.326 -0.249 1.00 0.00 C ATOM 470 O LYS A 32 5.708 -0.547 -1.459 1.00 0.00 O ATOM 471 CB LYS A 32 8.095 -0.739 0.716 1.00 0.00 C ATOM 472 CG LYS A 32 9.506 -0.423 0.241 1.00 0.00 C ATOM 473 CD LYS A 32 9.925 0.989 0.615 1.00 0.00 C ATOM 474 CE LYS A 32 11.329 1.300 0.128 1.00 0.00 C ATOM 475 NZ LYS A 32 11.709 2.711 0.392 1.00 0.00 N ATOM 0 H LYS A 32 7.270 0.895 2.323 1.00 0.00 H new ATOM 0 HA LYS A 32 7.477 0.951 -0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.101 -0.844 1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.789 -1.701 0.304 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.205 -1.137 0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.561 -0.544 -0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.223 1.704 0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.879 1.109 1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.039 0.635 0.620 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.394 1.101 -0.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.706 2.753 0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.579 3.273 -0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.109 3.096 1.149 1.00 0.00 H new ATOM 489 N ILE A 33 4.842 -0.621 0.616 1.00 0.00 N ATOM 490 CA ILE A 33 3.574 -1.188 0.179 1.00 0.00 C ATOM 491 C ILE A 33 2.820 -0.192 -0.700 1.00 0.00 C ATOM 492 O ILE A 33 2.344 -0.531 -1.785 1.00 0.00 O ATOM 493 CB ILE A 33 2.683 -1.570 1.381 1.00 0.00 C ATOM 494 CG1 ILE A 33 3.458 -2.464 2.353 1.00 0.00 C ATOM 495 CG2 ILE A 33 1.416 -2.271 0.905 1.00 0.00 C ATOM 496 CD1 ILE A 33 2.701 -2.776 3.626 1.00 0.00 C ATOM 0 H ILE A 33 4.916 -0.477 1.623 1.00 0.00 H new ATOM 0 HA ILE A 33 3.801 -2.089 -0.392 1.00 0.00 H new ATOM 0 HB ILE A 33 2.394 -0.658 1.903 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.710 -3.399 1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.399 -1.977 2.610 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.800 -2.533 1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.857 -1.605 0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.684 -3.177 0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.312 -3.413 4.266 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.473 -1.848 4.150 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.773 -3.292 3.380 1.00 0.00 H new ATOM 508 N ALA A 34 2.746 1.046 -0.228 1.00 0.00 N ATOM 509 CA ALA A 34 1.992 2.091 -0.910 1.00 0.00 C ATOM 510 C ALA A 34 2.725 2.618 -2.143 1.00 0.00 C ATOM 511 O ALA A 34 2.096 2.998 -3.127 1.00 0.00 O ATOM 512 CB ALA A 34 1.690 3.231 0.053 1.00 0.00 C ATOM 0 H ALA A 34 3.203 1.353 0.631 1.00 0.00 H new ATOM 0 HA ALA A 34 1.057 1.650 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.127 4.006 -0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.102 2.854 0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.625 3.650 0.426 1.00 0.00 H new ATOM 518 N THR A 35 4.051 2.637 -2.093 1.00 0.00 N ATOM 519 CA THR A 35 4.847 3.234 -3.151 1.00 0.00 C ATOM 520 C THR A 35 4.658 2.540 -4.502 1.00 0.00 C ATOM 521 O THR A 35 4.747 3.179 -5.552 1.00 0.00 O ATOM 522 CB THR A 35 6.337 3.248 -2.772 1.00 0.00 C ATOM 523 OG1 THR A 35 6.691 2.037 -2.098 1.00 0.00 O ATOM 524 CG2 THR A 35 6.667 4.444 -1.893 1.00 0.00 C ATOM 0 H THR A 35 4.597 2.243 -1.327 1.00 0.00 H new ATOM 0 HA THR A 35 4.491 4.258 -3.261 1.00 0.00 H new ATOM 0 HB THR A 35 6.916 3.327 -3.692 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.586 1.755 -2.380 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.727 4.428 -1.640 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.435 5.364 -2.429 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.075 4.398 -0.979 1.00 0.00 H new ATOM 532 N ALA A 36 4.375 1.246 -4.471 1.00 0.00 N ATOM 533 CA ALA A 36 4.162 0.481 -5.697 1.00 0.00 C ATOM 534 C ALA A 36 2.943 0.999 -6.453 1.00 0.00 C ATOM 535 O ALA A 36 2.891 0.949 -7.682 1.00 0.00 O ATOM 536 CB ALA A 36 4.000 -0.996 -5.371 1.00 0.00 C ATOM 0 H ALA A 36 4.287 0.702 -3.613 1.00 0.00 H new ATOM 0 HA ALA A 36 5.035 0.605 -6.338 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.842 -1.557 -6.292 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.900 -1.360 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.142 -1.131 -4.712 1.00 0.00 H new ATOM 542 N LEU A 37 1.987 1.531 -5.704 1.00 0.00 N ATOM 543 CA LEU A 37 0.739 2.017 -6.272 1.00 0.00 C ATOM 544 C LEU A 37 0.965 3.320 -7.029 1.00 0.00 C ATOM 545 O LEU A 37 0.307 3.602 -8.028 1.00 0.00 O ATOM 546 CB LEU A 37 -0.285 2.237 -5.158 1.00 0.00 C ATOM 547 CG LEU A 37 -0.271 1.187 -4.047 1.00 0.00 C ATOM 548 CD1 LEU A 37 -1.285 1.541 -2.971 1.00 0.00 C ATOM 549 CD2 LEU A 37 -0.552 -0.199 -4.608 1.00 0.00 C ATOM 0 H LEU A 37 2.054 1.637 -4.692 1.00 0.00 H new ATOM 0 HA LEU A 37 0.361 1.270 -6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.110 3.216 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.281 2.262 -5.601 1.00 0.00 H new ATOM 0 HG LEU A 37 0.723 1.177 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.263 0.784 -2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.038 2.513 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.282 1.580 -3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.537 -0.929 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.532 -0.207 -5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.211 -0.456 -5.343 1.00 0.00 H new ATOM 561 N LEU A 38 1.907 4.114 -6.547 1.00 0.00 N ATOM 562 CA LEU A 38 2.214 5.391 -7.175 1.00 0.00 C ATOM 563 C LEU A 38 3.090 5.195 -8.404 1.00 0.00 C ATOM 564 O LEU A 38 3.038 5.992 -9.340 1.00 0.00 O ATOM 565 CB LEU A 38 2.897 6.344 -6.184 1.00 0.00 C ATOM 566 CG LEU A 38 1.960 7.047 -5.189 1.00 0.00 C ATOM 567 CD1 LEU A 38 1.349 6.060 -4.205 1.00 0.00 C ATOM 568 CD2 LEU A 38 2.708 8.141 -4.446 1.00 0.00 C ATOM 0 H LEU A 38 2.472 3.899 -5.725 1.00 0.00 H new ATOM 0 HA LEU A 38 1.271 5.839 -7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.641 5.782 -5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.434 7.105 -6.750 1.00 0.00 H new ATOM 0 HG LEU A 38 1.145 7.496 -5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.692 6.592 -3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.774 5.312 -4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.143 5.569 -3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.033 8.631 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.544 7.704 -3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.084 8.874 -5.160 1.00 0.00 H new ATOM 580 N LYS A 39 3.872 4.120 -8.411 1.00 0.00 N ATOM 581 CA LYS A 39 4.771 3.843 -9.525 1.00 0.00 C ATOM 582 C LYS A 39 3.983 3.410 -10.753 1.00 0.00 C ATOM 583 O LYS A 39 4.077 4.023 -11.816 1.00 0.00 O ATOM 584 CB LYS A 39 5.790 2.758 -9.158 1.00 0.00 C ATOM 585 CG LYS A 39 6.732 2.421 -10.306 1.00 0.00 C ATOM 586 CD LYS A 39 7.696 1.303 -9.956 1.00 0.00 C ATOM 587 CE LYS A 39 8.598 0.977 -11.137 1.00 0.00 C ATOM 588 NZ LYS A 39 9.592 -0.076 -10.811 1.00 0.00 N ATOM 0 H LYS A 39 3.901 3.429 -7.661 1.00 0.00 H new ATOM 0 HA LYS A 39 5.310 4.763 -9.751 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.374 3.090 -8.300 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.260 1.856 -8.853 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.147 2.132 -11.179 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.297 3.311 -10.581 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.303 1.595 -9.099 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.138 0.414 -9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.987 0.650 -11.978 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.119 1.880 -11.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.184 -0.265 -11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.193 0.245 -10.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.096 -0.947 -10.534 1.00 0.00 H new ATOM 602 N THR A 40 3.203 2.353 -10.600 1.00 0.00 N ATOM 603 CA THR A 40 2.401 1.852 -11.692 1.00 0.00 C ATOM 604 C THR A 40 1.203 1.067 -11.169 1.00 0.00 C ATOM 605 O THR A 40 1.271 -0.130 -10.890 1.00 0.00 O ATOM 606 CB THR A 40 3.241 1.015 -12.691 1.00 0.00 C ATOM 607 OG1 THR A 40 2.407 0.475 -13.726 1.00 0.00 O ATOM 608 CG2 THR A 40 4.005 -0.106 -11.993 1.00 0.00 C ATOM 0 H THR A 40 3.111 1.829 -9.730 1.00 0.00 H new ATOM 0 HA THR A 40 2.023 2.712 -12.244 1.00 0.00 H new ATOM 0 HB THR A 40 3.973 1.687 -13.139 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.955 -0.049 -14.348 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.580 -0.668 -12.729 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.682 0.321 -11.253 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.300 -0.773 -11.498 1.00 0.00 H new ATOM 616 N ALA A 41 0.129 1.798 -10.972 1.00 0.00 N ATOM 617 CA ALA A 41 -1.163 1.226 -10.630 1.00 0.00 C ATOM 618 C ALA A 41 -2.254 1.985 -11.361 1.00 0.00 C ATOM 619 O ALA A 41 -3.247 1.409 -11.794 1.00 0.00 O ATOM 620 CB ALA A 41 -1.397 1.260 -9.129 1.00 0.00 C ATOM 0 H ALA A 41 0.123 2.815 -11.044 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.181 0.181 -10.939 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.371 0.826 -8.903 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.618 0.686 -8.626 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.370 2.292 -8.780 1.00 0.00 H new ATOM 626 N ILE A 42 -2.054 3.293 -11.501 1.00 0.00 N ATOM 627 CA ILE A 42 -2.939 4.113 -12.306 1.00 0.00 C ATOM 628 C ILE A 42 -2.726 3.769 -13.774 1.00 0.00 C ATOM 629 O ILE A 42 -1.599 3.809 -14.273 1.00 0.00 O ATOM 630 CB ILE A 42 -2.683 5.618 -12.075 1.00 0.00 C ATOM 631 CG1 ILE A 42 -2.825 5.958 -10.587 1.00 0.00 C ATOM 632 CG2 ILE A 42 -3.643 6.451 -12.909 1.00 0.00 C ATOM 633 CD1 ILE A 42 -2.496 7.400 -10.254 1.00 0.00 C ATOM 0 H ILE A 42 -1.285 3.803 -11.065 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.969 3.907 -12.014 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.665 5.852 -12.387 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.847 5.746 -10.272 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.171 5.304 -10.010 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.451 7.510 -12.736 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.499 6.224 -13.965 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.669 6.217 -12.625 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.620 7.564 -9.183 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.465 7.613 -10.537 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.167 8.062 -10.802 1.00 0.00 H new ATOM 645 N GLU A 43 -3.795 3.403 -14.457 1.00 0.00 N ATOM 646 CA GLU A 43 -3.679 2.931 -15.820 1.00 0.00 C ATOM 647 C GLU A 43 -4.155 3.990 -16.805 1.00 0.00 C ATOM 648 O GLU A 43 -5.079 4.757 -16.520 1.00 0.00 O ATOM 649 CB GLU A 43 -4.467 1.633 -16.007 1.00 0.00 C ATOM 650 CG GLU A 43 -4.194 0.946 -17.336 1.00 0.00 C ATOM 651 CD GLU A 43 -2.727 0.609 -17.531 1.00 0.00 C ATOM 652 OE1 GLU A 43 -1.944 1.516 -17.891 1.00 0.00 O ATOM 653 OE2 GLU A 43 -2.349 -0.563 -17.341 1.00 0.00 O ATOM 0 H GLU A 43 -4.747 3.424 -14.091 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.627 2.730 -16.020 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.222 0.948 -15.195 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.533 1.849 -15.931 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.784 0.031 -17.395 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.525 1.592 -18.149 1.00 0.00 H new ATOM 660 N ILE A 44 -3.511 4.025 -17.957 1.00 0.00 N ATOM 661 CA ILE A 44 -3.868 4.952 -19.014 1.00 0.00 C ATOM 662 C ILE A 44 -4.658 4.220 -20.094 1.00 0.00 C ATOM 663 O ILE A 44 -4.229 3.181 -20.597 1.00 0.00 O ATOM 664 CB ILE A 44 -2.601 5.640 -19.605 1.00 0.00 C ATOM 665 CG1 ILE A 44 -2.935 6.487 -20.848 1.00 0.00 C ATOM 666 CG2 ILE A 44 -1.521 4.610 -19.922 1.00 0.00 C ATOM 667 CD1 ILE A 44 -2.831 5.740 -22.167 1.00 0.00 C ATOM 0 H ILE A 44 -2.728 3.413 -18.186 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.497 5.739 -18.597 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.215 6.319 -18.844 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.948 6.877 -20.745 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.264 7.346 -20.878 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.647 5.114 -20.333 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.241 4.084 -19.009 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.903 3.895 -20.650 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.083 6.413 -22.987 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.813 5.373 -22.298 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.522 4.897 -22.163 1.00 0.00 H new ATOM 679 N VAL A 45 -5.829 4.746 -20.424 1.00 0.00 N ATOM 680 CA VAL A 45 -6.665 4.150 -21.450 1.00 0.00 C ATOM 681 C VAL A 45 -6.539 4.927 -22.753 1.00 0.00 C ATOM 682 O VAL A 45 -6.634 6.157 -22.774 1.00 0.00 O ATOM 683 CB VAL A 45 -8.148 4.075 -21.017 1.00 0.00 C ATOM 684 CG1 VAL A 45 -8.311 3.148 -19.822 1.00 0.00 C ATOM 685 CG2 VAL A 45 -8.704 5.449 -20.689 1.00 0.00 C ATOM 0 H VAL A 45 -6.220 5.585 -19.995 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.314 3.129 -21.603 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.714 3.674 -21.858 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.361 3.109 -19.533 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.970 2.147 -20.089 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.718 3.523 -18.987 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.748 5.357 -20.389 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.129 5.889 -19.874 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.634 6.089 -21.569 1.00 0.00 H new ATOM 772 N HIS A 53 -6.049 8.815 -22.221 1.00 0.00 N ATOM 773 CA HIS A 53 -6.583 9.426 -21.010 1.00 0.00 C ATOM 774 C HIS A 53 -6.091 8.678 -19.780 1.00 0.00 C ATOM 775 O HIS A 53 -6.089 7.449 -19.753 1.00 0.00 O ATOM 776 CB HIS A 53 -8.114 9.438 -21.037 1.00 0.00 C ATOM 777 CG HIS A 53 -8.680 10.403 -22.030 1.00 0.00 C ATOM 778 ND1 HIS A 53 -8.992 11.706 -21.716 1.00 0.00 N ATOM 779 CD2 HIS A 53 -8.958 10.259 -23.347 1.00 0.00 C ATOM 780 CE1 HIS A 53 -9.431 12.323 -22.792 1.00 0.00 C ATOM 781 NE2 HIS A 53 -9.420 11.467 -23.797 1.00 0.00 N ATOM 0 HA HIS A 53 -6.229 10.456 -20.965 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -8.474 8.436 -21.269 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.486 9.689 -20.044 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.838 9.360 -23.933 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.747 13.355 -22.844 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.709 11.672 -24.754 1.00 0.00 H new ATOM 790 N ASN A 54 -5.669 9.420 -18.769 1.00 0.00 N ATOM 791 CA ASN A 54 -5.166 8.823 -17.537 1.00 0.00 C ATOM 792 C ASN A 54 -6.314 8.616 -16.558 1.00 0.00 C ATOM 793 O ASN A 54 -6.892 9.582 -16.055 1.00 0.00 O ATOM 794 CB ASN A 54 -4.094 9.722 -16.914 1.00 0.00 C ATOM 795 CG ASN A 54 -3.491 9.131 -15.652 1.00 0.00 C ATOM 796 OD1 ASN A 54 -4.074 9.450 -14.506 1.00 0.00 O flip ATOM 797 ND2 ASN A 54 -2.507 8.397 -15.708 1.00 0.00 N flip ATOM 0 H ASN A 54 -5.664 10.440 -18.775 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.718 7.856 -17.767 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.302 9.894 -17.643 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.531 10.693 -16.682 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.087 8.175 -16.611 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.110 8.010 -14.852 1.00 0.00 H new ATOM 804 N GLN A 55 -6.640 7.363 -16.284 1.00 0.00 N ATOM 805 CA GLN A 55 -7.799 7.043 -15.463 1.00 0.00 C ATOM 806 C GLN A 55 -7.391 6.502 -14.100 1.00 0.00 C ATOM 807 O GLN A 55 -6.833 5.406 -13.988 1.00 0.00 O ATOM 808 CB GLN A 55 -8.693 6.026 -16.177 1.00 0.00 C ATOM 809 CG GLN A 55 -9.407 6.583 -17.397 1.00 0.00 C ATOM 810 CD GLN A 55 -10.378 7.696 -17.052 1.00 0.00 C ATOM 811 OE1 GLN A 55 -10.017 8.872 -17.044 1.00 0.00 O ATOM 812 NE2 GLN A 55 -11.622 7.336 -16.781 1.00 0.00 N ATOM 0 H GLN A 55 -6.120 6.551 -16.617 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.354 7.968 -15.307 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.086 5.174 -16.481 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.436 5.652 -15.472 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.668 6.958 -18.105 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.947 5.778 -17.896 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.883 6.350 -16.798 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.320 8.044 -16.555 1.00 0.00 H new ATOM 821 N CYS A 56 -7.671 7.270 -13.058 1.00 0.00 N ATOM 822 CA CYS A 56 -7.455 6.801 -11.704 1.00 0.00 C ATOM 823 C CYS A 56 -8.706 6.079 -11.216 1.00 0.00 C ATOM 824 O CYS A 56 -9.637 6.700 -10.704 1.00 0.00 O ATOM 825 CB CYS A 56 -7.103 7.961 -10.774 1.00 0.00 C ATOM 826 SG CYS A 56 -6.734 7.453 -9.081 1.00 0.00 S ATOM 0 H CYS A 56 -8.046 8.216 -13.126 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.614 6.108 -11.698 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.242 8.491 -11.180 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.933 8.667 -10.759 1.00 0.00 H new ATOM 0 HG CYS A 56 -7.497 8.107 -8.256 1.00 0.00 H new ATOM 832 N LYS A 57 -8.719 4.761 -11.394 1.00 0.00 N ATOM 833 CA LYS A 57 -9.894 3.941 -11.090 1.00 0.00 C ATOM 834 C LYS A 57 -10.076 3.741 -9.588 1.00 0.00 C ATOM 835 O LYS A 57 -11.015 3.076 -9.146 1.00 0.00 O ATOM 836 CB LYS A 57 -9.805 2.574 -11.792 1.00 0.00 C ATOM 837 CG LYS A 57 -8.649 1.677 -11.348 1.00 0.00 C ATOM 838 CD LYS A 57 -7.309 2.134 -11.908 1.00 0.00 C ATOM 839 CE LYS A 57 -6.196 1.145 -11.593 1.00 0.00 C ATOM 840 NZ LYS A 57 -6.391 -0.165 -12.275 1.00 0.00 N ATOM 0 H LYS A 57 -7.923 4.232 -11.750 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.763 4.480 -11.466 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.740 2.039 -11.627 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.719 2.742 -12.866 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.599 1.666 -10.259 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.843 0.654 -11.669 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.390 2.258 -12.988 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.056 3.110 -11.493 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.239 1.570 -11.896 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.148 0.987 -10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.429 -0.924 -11.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.282 -0.148 -12.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.599 -0.339 -12.926 1.00 0.00 H new ATOM 854 N LEU A 58 -9.184 4.324 -8.811 1.00 0.00 N ATOM 855 CA LEU A 58 -9.218 4.166 -7.371 1.00 0.00 C ATOM 856 C LEU A 58 -10.140 5.204 -6.743 1.00 0.00 C ATOM 857 O LEU A 58 -11.084 4.855 -6.035 1.00 0.00 O ATOM 858 CB LEU A 58 -7.804 4.281 -6.812 1.00 0.00 C ATOM 859 CG LEU A 58 -7.433 3.227 -5.775 1.00 0.00 C ATOM 860 CD1 LEU A 58 -5.937 2.978 -5.807 1.00 0.00 C ATOM 861 CD2 LEU A 58 -7.874 3.658 -4.385 1.00 0.00 C ATOM 0 H LEU A 58 -8.425 4.913 -9.154 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.612 3.180 -7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.097 4.220 -7.639 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.686 5.267 -6.364 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.951 2.299 -6.018 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.678 2.224 -5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.648 2.626 -6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.409 3.905 -5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.599 2.890 -3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.385 4.596 -4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.955 3.797 -4.373 1.00 0.00 H new ATOM 873 N CYS A 59 -9.878 6.479 -7.015 1.00 0.00 N ATOM 874 CA CYS A 59 -10.717 7.549 -6.494 1.00 0.00 C ATOM 875 C CYS A 59 -11.796 7.939 -7.503 1.00 0.00 C ATOM 876 O CYS A 59 -12.887 8.369 -7.129 1.00 0.00 O ATOM 877 CB CYS A 59 -9.864 8.768 -6.132 1.00 0.00 C ATOM 878 SG CYS A 59 -8.810 9.363 -7.474 1.00 0.00 S ATOM 0 H CYS A 59 -9.096 6.793 -7.590 1.00 0.00 H new ATOM 0 HA CYS A 59 -11.209 7.184 -5.593 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.523 9.577 -5.817 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.236 8.517 -5.277 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.132 10.395 -7.068 1.00 0.00 H new ATOM 884 N GLY A 60 -11.494 7.765 -8.780 1.00 0.00 N ATOM 885 CA GLY A 60 -12.424 8.156 -9.822 1.00 0.00 C ATOM 886 C GLY A 60 -12.108 9.524 -10.382 1.00 0.00 C ATOM 887 O GLY A 60 -12.998 10.357 -10.556 1.00 0.00 O ATOM 0 H GLY A 60 -10.620 7.359 -9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.397 7.421 -10.626 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.438 8.154 -9.422 1.00 0.00 H new ATOM 891 N ALA A 61 -10.837 9.758 -10.659 1.00 0.00 N ATOM 892 CA ALA A 61 -10.399 11.030 -11.201 1.00 0.00 C ATOM 893 C ALA A 61 -9.793 10.842 -12.584 1.00 0.00 C ATOM 894 O ALA A 61 -9.003 9.919 -12.808 1.00 0.00 O ATOM 895 CB ALA A 61 -9.398 11.687 -10.266 1.00 0.00 C ATOM 0 H ALA A 61 -10.088 9.080 -10.516 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.267 11.683 -11.293 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.079 12.641 -10.687 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.864 11.856 -9.295 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.532 11.036 -10.144 1.00 0.00 H new ATOM 901 N SER A 62 -10.179 11.702 -13.510 1.00 0.00 N ATOM 902 CA SER A 62 -9.669 11.634 -14.862 1.00 0.00 C ATOM 903 C SER A 62 -8.591 12.690 -15.073 1.00 0.00 C ATOM 904 O SER A 62 -8.739 13.846 -14.663 1.00 0.00 O ATOM 905 CB SER A 62 -10.806 11.824 -15.869 1.00 0.00 C ATOM 906 OG SER A 62 -10.378 11.524 -17.186 1.00 0.00 O ATOM 0 H SER A 62 -10.846 12.456 -13.347 1.00 0.00 H new ATOM 0 HA SER A 62 -9.227 10.650 -15.019 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.644 11.181 -15.601 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.166 12.852 -15.826 1.00 0.00 H new ATOM 0 HG SER A 62 -10.437 10.558 -17.337 1.00 0.00 H new ATOM 912 N VAL A 63 -7.501 12.275 -15.694 1.00 0.00 N ATOM 913 CA VAL A 63 -6.389 13.164 -15.981 1.00 0.00 C ATOM 914 C VAL A 63 -6.105 13.163 -17.483 1.00 0.00 C ATOM 915 O VAL A 63 -6.102 12.103 -18.113 1.00 0.00 O ATOM 916 CB VAL A 63 -5.121 12.736 -15.202 1.00 0.00 C ATOM 917 CG1 VAL A 63 -3.966 13.689 -15.462 1.00 0.00 C ATOM 918 CG2 VAL A 63 -5.410 12.647 -13.710 1.00 0.00 C ATOM 0 H VAL A 63 -7.362 11.316 -16.012 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.660 14.171 -15.662 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.830 11.748 -15.560 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.091 13.361 -14.901 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.733 13.696 -16.527 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.245 14.694 -15.145 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.506 12.345 -13.182 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.736 13.621 -13.344 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.195 11.912 -13.535 1.00 0.00 H new ATOM 928 N PRO A 64 -5.881 14.347 -18.088 1.00 0.00 N ATOM 929 CA PRO A 64 -5.600 14.476 -19.531 1.00 0.00 C ATOM 930 C PRO A 64 -4.294 13.797 -19.960 1.00 0.00 C ATOM 931 O PRO A 64 -3.924 13.846 -21.136 1.00 0.00 O ATOM 932 CB PRO A 64 -5.503 15.994 -19.751 1.00 0.00 C ATOM 933 CG PRO A 64 -6.174 16.605 -18.571 1.00 0.00 C ATOM 934 CD PRO A 64 -5.925 15.664 -17.428 1.00 0.00 C ATOM 0 HA PRO A 64 -6.374 13.988 -20.123 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.464 16.316 -19.823 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.993 16.289 -20.679 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.768 17.594 -18.359 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -7.242 16.730 -18.749 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.990 15.890 -16.915 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -6.718 15.716 -16.682 1.00 0.00 H new ATOM 942 N TRP A 65 -3.608 13.179 -18.996 1.00 0.00 N ATOM 943 CA TRP A 65 -2.372 12.443 -19.230 1.00 0.00 C ATOM 944 C TRP A 65 -1.206 13.396 -19.511 1.00 0.00 C ATOM 945 O TRP A 65 -1.405 14.510 -20.008 1.00 0.00 O ATOM 946 CB TRP A 65 -2.563 11.419 -20.358 1.00 0.00 C ATOM 947 CG TRP A 65 -1.312 10.706 -20.748 1.00 0.00 C ATOM 948 CD1 TRP A 65 -0.564 10.956 -21.849 1.00 0.00 C ATOM 949 CD2 TRP A 65 -0.658 9.644 -20.044 1.00 0.00 C ATOM 950 NE1 TRP A 65 0.521 10.116 -21.886 1.00 0.00 N ATOM 951 CE2 TRP A 65 0.486 9.298 -20.788 1.00 0.00 C ATOM 952 CE3 TRP A 65 -0.925 8.952 -18.859 1.00 0.00 C ATOM 953 CZ2 TRP A 65 1.360 8.290 -20.388 1.00 0.00 C ATOM 954 CZ3 TRP A 65 -0.059 7.951 -18.463 1.00 0.00 C ATOM 955 CH2 TRP A 65 1.072 7.628 -19.225 1.00 0.00 C ATOM 0 H TRP A 65 -3.903 13.178 -18.019 1.00 0.00 H new ATOM 0 HA TRP A 65 -2.119 11.893 -18.324 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -3.306 10.685 -20.046 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.967 11.929 -21.233 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -0.789 11.708 -22.591 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.237 10.103 -22.613 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -1.793 9.196 -18.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 2.232 8.040 -20.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.257 7.408 -17.551 1.00 0.00 H new ATOM 0 HH2 TRP A 65 1.730 6.841 -18.888 1.00 0.00 H new ATOM 966 N LEU A 66 0.004 12.947 -19.151 1.00 0.00 N ATOM 967 CA LEU A 66 1.232 13.740 -19.261 1.00 0.00 C ATOM 968 C LEU A 66 1.243 14.832 -18.192 1.00 0.00 C ATOM 969 O LEU A 66 2.127 14.864 -17.337 1.00 0.00 O ATOM 970 CB LEU A 66 1.387 14.339 -20.670 1.00 0.00 C ATOM 971 CG LEU A 66 2.828 14.505 -21.174 1.00 0.00 C ATOM 972 CD1 LEU A 66 3.612 15.489 -20.315 1.00 0.00 C ATOM 973 CD2 LEU A 66 3.534 13.155 -21.212 1.00 0.00 C ATOM 0 H LEU A 66 0.157 12.013 -18.771 1.00 0.00 H new ATOM 0 HA LEU A 66 2.085 13.082 -19.096 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.847 13.706 -21.374 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.903 15.316 -20.684 1.00 0.00 H new ATOM 0 HG LEU A 66 2.782 14.911 -22.185 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.627 15.581 -20.702 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.124 16.463 -20.341 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.647 15.128 -19.287 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.554 13.288 -21.571 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.555 12.727 -20.210 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.998 12.483 -21.882 1.00 0.00 H new ATOM 985 N GLN A 67 0.254 15.711 -18.241 1.00 0.00 N ATOM 986 CA GLN A 67 0.081 16.734 -17.220 1.00 0.00 C ATOM 987 C GLN A 67 -0.389 16.092 -15.919 1.00 0.00 C ATOM 988 O GLN A 67 -1.417 15.421 -15.896 1.00 0.00 O ATOM 989 CB GLN A 67 -0.944 17.777 -17.679 1.00 0.00 C ATOM 990 CG GLN A 67 -1.212 18.865 -16.649 1.00 0.00 C ATOM 991 CD GLN A 67 -2.421 19.712 -16.993 1.00 0.00 C ATOM 992 OE1 GLN A 67 -2.312 20.735 -17.669 1.00 0.00 O ATOM 993 NE2 GLN A 67 -3.584 19.282 -16.534 1.00 0.00 N ATOM 0 H GLN A 67 -0.446 15.736 -18.982 1.00 0.00 H new ATOM 0 HA GLN A 67 1.038 17.228 -17.055 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.591 18.240 -18.600 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.881 17.273 -17.915 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.362 18.406 -15.672 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.335 19.507 -16.568 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.629 18.428 -15.977 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.437 19.804 -16.737 1.00 0.00 H new ATOM 1002 N THR A 68 0.355 16.299 -14.843 1.00 0.00 N ATOM 1003 CA THR A 68 -0.004 15.725 -13.554 1.00 0.00 C ATOM 1004 C THR A 68 -1.188 16.471 -12.931 1.00 0.00 C ATOM 1005 O THR A 68 -1.912 15.922 -12.100 1.00 0.00 O ATOM 1006 CB THR A 68 1.190 15.729 -12.572 1.00 0.00 C ATOM 1007 OG1 THR A 68 0.798 15.151 -11.321 1.00 0.00 O ATOM 1008 CG2 THR A 68 1.715 17.140 -12.338 1.00 0.00 C ATOM 0 H THR A 68 1.208 16.858 -14.836 1.00 0.00 H new ATOM 0 HA THR A 68 -0.292 14.690 -13.737 1.00 0.00 H new ATOM 0 HB THR A 68 1.989 15.137 -13.018 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.560 15.156 -10.705 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.554 17.105 -11.643 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.046 17.567 -13.285 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.922 17.759 -11.919 1.00 0.00 H new ATOM 1016 N GLY A 69 -1.371 17.727 -13.331 1.00 0.00 N ATOM 1017 CA GLY A 69 -2.476 18.520 -12.822 1.00 0.00 C ATOM 1018 C GLY A 69 -2.169 19.146 -11.475 1.00 0.00 C ATOM 1019 O GLY A 69 -3.001 19.858 -10.913 1.00 0.00 O ATOM 0 H GLY A 69 -0.772 18.210 -14.000 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.715 19.306 -13.538 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.361 17.890 -12.733 1.00 0.00 H new ATOM 1091 N HIS A 74 -8.227 15.076 -4.549 1.00 0.00 N ATOM 1092 CA HIS A 74 -8.474 13.673 -4.267 1.00 0.00 C ATOM 1093 C HIS A 74 -9.845 13.447 -3.645 1.00 0.00 C ATOM 1094 O HIS A 74 -10.453 14.365 -3.094 1.00 0.00 O ATOM 1095 CB HIS A 74 -7.398 13.143 -3.307 1.00 0.00 C ATOM 1096 CG HIS A 74 -7.402 13.813 -1.956 1.00 0.00 C ATOM 1097 ND1 HIS A 74 -6.520 14.813 -1.602 1.00 0.00 N ATOM 1098 CD2 HIS A 74 -8.194 13.620 -0.872 1.00 0.00 C ATOM 1099 CE1 HIS A 74 -6.769 15.203 -0.363 1.00 0.00 C ATOM 1100 NE2 HIS A 74 -7.781 14.495 0.100 1.00 0.00 N ATOM 0 HA HIS A 74 -8.440 13.138 -5.216 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.542 12.071 -3.171 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.418 13.277 -3.765 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -9.002 12.908 -0.789 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -6.235 15.970 0.178 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -8.190 14.584 1.030 1.00 0.00 H new ATOM 1109 N ALA A 75 -10.307 12.213 -3.732 1.00 0.00 N ATOM 1110 CA ALA A 75 -11.438 11.765 -2.944 1.00 0.00 C ATOM 1111 C ALA A 75 -10.929 11.417 -1.551 1.00 0.00 C ATOM 1112 O ALA A 75 -9.995 10.631 -1.408 1.00 0.00 O ATOM 1113 CB ALA A 75 -12.106 10.564 -3.596 1.00 0.00 C ATOM 0 H ALA A 75 -9.912 11.500 -4.345 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.188 12.553 -2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.952 10.244 -2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.457 10.838 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.388 9.748 -3.677 1.00 0.00 H new ATOM 1119 N ASP A 76 -11.513 12.013 -0.532 1.00 0.00 N ATOM 1120 CA ASP A 76 -10.971 11.902 0.819 1.00 0.00 C ATOM 1121 C ASP A 76 -11.333 10.563 1.468 1.00 0.00 C ATOM 1122 O ASP A 76 -10.748 10.176 2.481 1.00 0.00 O ATOM 1123 CB ASP A 76 -11.461 13.071 1.676 1.00 0.00 C ATOM 1124 CG ASP A 76 -10.437 13.503 2.714 1.00 0.00 C ATOM 1125 OD1 ASP A 76 -9.526 14.294 2.369 1.00 0.00 O ATOM 1126 OD2 ASP A 76 -10.542 13.072 3.881 1.00 0.00 O ATOM 0 H ASP A 76 -12.359 12.578 -0.606 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.884 11.942 0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.697 13.917 1.030 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.385 12.786 2.179 1.00 0.00 H new ATOM 1131 N ASP A 77 -12.282 9.845 0.874 1.00 0.00 N ATOM 1132 CA ASP A 77 -12.706 8.551 1.413 1.00 0.00 C ATOM 1133 C ASP A 77 -11.766 7.429 0.979 1.00 0.00 C ATOM 1134 O ASP A 77 -11.641 6.415 1.666 1.00 0.00 O ATOM 1135 CB ASP A 77 -14.140 8.221 0.982 1.00 0.00 C ATOM 1136 CG ASP A 77 -14.648 6.914 1.574 1.00 0.00 C ATOM 1137 OD1 ASP A 77 -14.952 6.882 2.789 1.00 0.00 O ATOM 1138 OD2 ASP A 77 -14.761 5.913 0.829 1.00 0.00 O ATOM 0 H ASP A 77 -12.770 10.132 0.026 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.671 8.628 2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -14.801 9.033 1.285 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -14.183 8.163 -0.106 1.00 0.00 H new ATOM 1143 N CYS A 78 -11.088 7.609 -0.148 1.00 0.00 N ATOM 1144 CA CYS A 78 -10.238 6.552 -0.682 1.00 0.00 C ATOM 1145 C CYS A 78 -8.902 6.514 0.062 1.00 0.00 C ATOM 1146 O CYS A 78 -8.391 7.551 0.485 1.00 0.00 O ATOM 1147 CB CYS A 78 -10.016 6.736 -2.191 1.00 0.00 C ATOM 1148 SG CYS A 78 -9.099 8.224 -2.637 1.00 0.00 S ATOM 0 H CYS A 78 -11.109 8.464 -0.703 1.00 0.00 H new ATOM 0 HA CYS A 78 -10.744 5.598 -0.531 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -9.482 5.867 -2.575 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -10.986 6.760 -2.688 1.00 0.00 H new ATOM 0 HG CYS A 78 -9.563 9.237 -1.967 1.00 0.00 H new ATOM 1154 N PRO A 79 -8.317 5.309 0.225 1.00 0.00 N ATOM 1155 CA PRO A 79 -7.067 5.103 0.983 1.00 0.00 C ATOM 1156 C PRO A 79 -5.850 5.799 0.370 1.00 0.00 C ATOM 1157 O PRO A 79 -4.744 5.707 0.905 1.00 0.00 O ATOM 1158 CB PRO A 79 -6.873 3.580 0.958 1.00 0.00 C ATOM 1159 CG PRO A 79 -8.215 3.031 0.622 1.00 0.00 C ATOM 1160 CD PRO A 79 -8.842 4.037 -0.293 1.00 0.00 C ATOM 0 HA PRO A 79 -7.148 5.530 1.983 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.129 3.288 0.216 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -6.524 3.210 1.922 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -8.131 2.058 0.137 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -8.817 2.889 1.520 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.557 3.873 -1.332 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.931 4.000 -0.252 1.00 0.00 H new ATOM 1168 N VAL A 80 -6.056 6.499 -0.740 1.00 0.00 N ATOM 1169 CA VAL A 80 -4.982 7.251 -1.382 1.00 0.00 C ATOM 1170 C VAL A 80 -4.458 8.338 -0.442 1.00 0.00 C ATOM 1171 O VAL A 80 -3.272 8.679 -0.462 1.00 0.00 O ATOM 1172 CB VAL A 80 -5.456 7.894 -2.708 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -4.329 8.663 -3.383 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -6.006 6.834 -3.648 1.00 0.00 C ATOM 0 H VAL A 80 -6.957 6.562 -1.215 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.179 6.550 -1.609 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.251 8.600 -2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.694 9.103 -4.311 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.980 9.454 -2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.505 7.984 -3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.334 7.305 -4.575 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.228 6.103 -3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.851 6.333 -3.176 1.00 0.00 H new ATOM 1184 N VAL A 81 -5.348 8.866 0.396 1.00 0.00 N ATOM 1185 CA VAL A 81 -4.967 9.859 1.391 1.00 0.00 C ATOM 1186 C VAL A 81 -3.969 9.275 2.387 1.00 0.00 C ATOM 1187 O VAL A 81 -3.018 9.940 2.803 1.00 0.00 O ATOM 1188 CB VAL A 81 -6.195 10.404 2.156 1.00 0.00 C ATOM 1189 CG1 VAL A 81 -7.058 11.260 1.242 1.00 0.00 C ATOM 1190 CG2 VAL A 81 -7.018 9.273 2.760 1.00 0.00 C ATOM 0 H VAL A 81 -6.338 8.621 0.404 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.501 10.684 0.853 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.829 11.026 2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.917 11.634 1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.472 12.101 0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.404 10.659 0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.874 9.689 3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.369 8.614 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.400 8.705 3.456 1.00 0.00 H new ATOM 1200 N ILE A 82 -4.185 8.020 2.747 1.00 0.00 N ATOM 1201 CA ILE A 82 -3.317 7.331 3.687 1.00 0.00 C ATOM 1202 C ILE A 82 -2.009 6.952 3.005 1.00 0.00 C ATOM 1203 O ILE A 82 -0.936 7.063 3.594 1.00 0.00 O ATOM 1204 CB ILE A 82 -3.994 6.058 4.245 1.00 0.00 C ATOM 1205 CG1 ILE A 82 -5.406 6.370 4.751 1.00 0.00 C ATOM 1206 CG2 ILE A 82 -3.156 5.443 5.357 1.00 0.00 C ATOM 1207 CD1 ILE A 82 -5.451 7.395 5.865 1.00 0.00 C ATOM 0 H ILE A 82 -4.960 7.455 2.399 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.117 8.008 4.518 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.071 5.335 3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.008 6.729 3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.867 5.447 5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.652 4.549 5.734 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.174 5.176 4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.041 6.163 6.167 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.485 7.560 6.166 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.878 7.031 6.718 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.022 8.333 5.514 1.00 0.00 H new ATOM 1219 N ALA A 83 -2.111 6.530 1.750 1.00 0.00 N ATOM 1220 CA ALA A 83 -0.939 6.171 0.960 1.00 0.00 C ATOM 1221 C ALA A 83 0.062 7.320 0.930 1.00 0.00 C ATOM 1222 O ALA A 83 1.238 7.136 1.243 1.00 0.00 O ATOM 1223 CB ALA A 83 -1.351 5.786 -0.454 1.00 0.00 C ATOM 0 H ALA A 83 -2.997 6.428 1.256 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.459 5.312 1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.465 5.521 -1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.029 4.933 -0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.854 6.628 -0.928 1.00 0.00 H new ATOM 1229 N LYS A 84 -0.419 8.510 0.579 1.00 0.00 N ATOM 1230 CA LYS A 84 0.431 9.693 0.516 1.00 0.00 C ATOM 1231 C LYS A 84 1.043 10.016 1.872 1.00 0.00 C ATOM 1232 O LYS A 84 2.255 10.178 1.991 1.00 0.00 O ATOM 1233 CB LYS A 84 -0.353 10.917 0.043 1.00 0.00 C ATOM 1234 CG LYS A 84 -0.766 10.891 -1.418 1.00 0.00 C ATOM 1235 CD LYS A 84 -1.340 12.238 -1.823 1.00 0.00 C ATOM 1236 CE LYS A 84 -1.766 12.273 -3.277 1.00 0.00 C ATOM 1237 NZ LYS A 84 -2.197 13.639 -3.680 1.00 0.00 N ATOM 0 H LYS A 84 -1.394 8.679 0.334 1.00 0.00 H new ATOM 0 HA LYS A 84 1.223 9.463 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.249 11.015 0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.252 11.807 0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.094 10.651 -2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.506 10.108 -1.581 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.197 12.469 -1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.596 13.014 -1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.939 11.949 -3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.583 11.569 -3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.483 13.632 -4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.002 13.937 -3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.408 14.304 -3.550 1.00 0.00 H new ATOM 1251 N GLN A 85 0.198 10.095 2.895 1.00 0.00 N ATOM 1252 CA GLN A 85 0.620 10.555 4.203 1.00 0.00 C ATOM 1253 C GLN A 85 1.688 9.643 4.804 1.00 0.00 C ATOM 1254 O GLN A 85 2.543 10.097 5.563 1.00 0.00 O ATOM 1255 CB GLN A 85 -0.596 10.669 5.126 1.00 0.00 C ATOM 1256 CG GLN A 85 -1.189 9.344 5.563 1.00 0.00 C ATOM 1257 CD GLN A 85 -2.470 9.510 6.360 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -3.270 10.514 6.018 1.00 0.00 O flip ATOM 1259 NE2 GLN A 85 -2.752 8.731 7.267 1.00 0.00 N flip ATOM 0 H GLN A 85 -0.789 9.843 2.837 1.00 0.00 H new ATOM 0 HA GLN A 85 1.073 11.540 4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.309 11.233 6.014 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -1.368 11.246 4.617 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.390 8.733 4.683 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.458 8.805 6.166 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.114 7.971 7.503 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.624 8.844 7.784 1.00 0.00 H new ATOM 1268 N ILE A 86 1.652 8.366 4.455 1.00 0.00 N ATOM 1269 CA ILE A 86 2.632 7.422 4.962 1.00 0.00 C ATOM 1270 C ILE A 86 3.982 7.586 4.262 1.00 0.00 C ATOM 1271 O ILE A 86 5.017 7.720 4.918 1.00 0.00 O ATOM 1272 CB ILE A 86 2.149 5.960 4.824 1.00 0.00 C ATOM 1273 CG1 ILE A 86 0.887 5.735 5.661 1.00 0.00 C ATOM 1274 CG2 ILE A 86 3.241 4.984 5.249 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.315 4.335 5.545 1.00 0.00 C ATOM 0 H ILE A 86 0.958 7.962 3.826 1.00 0.00 H new ATOM 0 HA ILE A 86 2.756 7.645 6.022 1.00 0.00 H new ATOM 0 HB ILE A 86 1.915 5.778 3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.116 5.938 6.707 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.127 6.454 5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.877 3.962 5.143 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.119 5.124 4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.508 5.168 6.290 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.577 4.254 6.166 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.053 4.134 4.506 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.057 3.610 5.879 1.00 0.00 H new ATOM 1287 N LEU A 87 3.974 7.599 2.935 1.00 0.00 N ATOM 1288 CA LEU A 87 5.221 7.601 2.176 1.00 0.00 C ATOM 1289 C LEU A 87 5.832 8.993 2.062 1.00 0.00 C ATOM 1290 O LEU A 87 6.979 9.138 1.638 1.00 0.00 O ATOM 1291 CB LEU A 87 5.015 6.975 0.787 1.00 0.00 C ATOM 1292 CG LEU A 87 3.927 7.601 -0.099 1.00 0.00 C ATOM 1293 CD1 LEU A 87 4.415 8.881 -0.759 1.00 0.00 C ATOM 1294 CD2 LEU A 87 3.466 6.600 -1.149 1.00 0.00 C ATOM 0 H LEU A 87 3.128 7.608 2.365 1.00 0.00 H new ATOM 0 HA LEU A 87 5.933 6.990 2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.961 7.023 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.778 5.920 0.921 1.00 0.00 H new ATOM 0 HG LEU A 87 3.082 7.861 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.620 9.297 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.693 9.603 0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.283 8.662 -1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.695 7.054 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.312 6.311 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.060 5.716 -0.656 1.00 0.00 H new ATOM 1306 N SER A 88 5.080 10.013 2.443 1.00 0.00 N ATOM 1307 CA SER A 88 5.558 11.384 2.327 1.00 0.00 C ATOM 1308 C SER A 88 5.787 12.008 3.705 1.00 0.00 C ATOM 1309 O SER A 88 5.853 13.232 3.840 1.00 0.00 O ATOM 1310 CB SER A 88 4.562 12.223 1.516 1.00 0.00 C ATOM 1311 OG SER A 88 5.086 13.510 1.232 1.00 0.00 O ATOM 0 H SER A 88 4.142 9.920 2.833 1.00 0.00 H new ATOM 0 HA SER A 88 6.515 11.368 1.805 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.325 11.710 0.584 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.629 12.322 2.071 1.00 0.00 H new ATOM 0 HG SER A 88 5.532 13.865 2.029 1.00 0.00 H new ATOM 1317 N SER A 89 5.925 11.170 4.722 1.00 0.00 N ATOM 1318 CA SER A 89 6.167 11.655 6.072 1.00 0.00 C ATOM 1319 C SER A 89 7.653 11.958 6.286 1.00 0.00 C ATOM 1320 O SER A 89 8.426 11.095 6.696 1.00 0.00 O ATOM 1321 CB SER A 89 5.662 10.633 7.097 1.00 0.00 C ATOM 1322 OG SER A 89 6.092 9.320 6.768 1.00 0.00 O ATOM 0 H SER A 89 5.874 10.155 4.638 1.00 0.00 H new ATOM 0 HA SER A 89 5.617 12.586 6.211 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.025 10.899 8.089 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.573 10.662 7.138 1.00 0.00 H new ATOM 0 HG SER A 89 5.476 8.928 6.114 1.00 0.00 H new ATOM 1328 N ARG A 90 8.054 13.181 5.975 1.00 0.00 N ATOM 1329 CA ARG A 90 9.442 13.585 6.144 1.00 0.00 C ATOM 1330 C ARG A 90 9.676 14.092 7.562 1.00 0.00 C ATOM 1331 O ARG A 90 8.770 14.652 8.179 1.00 0.00 O ATOM 1332 CB ARG A 90 9.824 14.664 5.128 1.00 0.00 C ATOM 1333 CG ARG A 90 9.709 14.209 3.681 1.00 0.00 C ATOM 1334 CD ARG A 90 10.337 15.217 2.731 1.00 0.00 C ATOM 1335 NE ARG A 90 11.784 15.324 2.933 1.00 0.00 N ATOM 1336 CZ ARG A 90 12.493 16.430 2.715 1.00 0.00 C ATOM 1337 NH1 ARG A 90 11.895 17.543 2.302 1.00 0.00 N ATOM 1338 NH2 ARG A 90 13.805 16.418 2.921 1.00 0.00 N ATOM 0 H ARG A 90 7.442 13.908 5.606 1.00 0.00 H new ATOM 0 HA ARG A 90 10.073 12.713 5.971 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.185 15.534 5.278 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.848 14.984 5.319 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.197 13.242 3.562 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.659 14.070 3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.134 14.922 1.701 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.876 16.193 2.880 1.00 0.00 H new ATOM 0 HE ARG A 90 12.281 14.497 3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.886 17.554 2.150 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.445 18.386 2.137 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.263 15.566 3.244 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.355 17.261 2.756 1.00 0.00 H new ATOM 1710 N TYR B 18 3.204 6.046 16.798 1.00 0.00 N ATOM 1711 CA TYR B 18 2.916 6.840 15.610 1.00 0.00 C ATOM 1712 C TYR B 18 1.508 6.535 15.106 1.00 0.00 C ATOM 1713 O TYR B 18 0.601 7.357 15.235 1.00 0.00 O ATOM 1714 CB TYR B 18 3.962 6.559 14.527 1.00 0.00 C ATOM 1715 CG TYR B 18 3.972 7.560 13.391 1.00 0.00 C ATOM 1716 CD1 TYR B 18 4.324 8.886 13.614 1.00 0.00 C ATOM 1717 CD2 TYR B 18 3.645 7.175 12.098 1.00 0.00 C ATOM 1718 CE1 TYR B 18 4.345 9.801 12.578 1.00 0.00 C ATOM 1719 CE2 TYR B 18 3.668 8.084 11.057 1.00 0.00 C ATOM 1720 CZ TYR B 18 4.019 9.396 11.302 1.00 0.00 C ATOM 1721 OH TYR B 18 4.048 10.305 10.268 1.00 0.00 O ATOM 0 HA TYR B 18 2.964 7.899 15.864 1.00 0.00 H new ATOM 0 HB2 TYR B 18 4.949 6.542 14.989 1.00 0.00 H new ATOM 0 HB3 TYR B 18 3.785 5.565 14.117 1.00 0.00 H new ATOM 0 HD1 TYR B 18 4.585 9.206 14.612 1.00 0.00 H new ATOM 0 HD2 TYR B 18 3.368 6.150 11.902 1.00 0.00 H new ATOM 0 HE1 TYR B 18 4.616 10.829 12.768 1.00 0.00 H new ATOM 0 HE2 TYR B 18 3.412 7.769 10.056 1.00 0.00 H new ATOM 0 HH TYR B 18 3.793 9.859 9.433 1.00 0.00 H new ATOM 1731 N PHE B 19 1.320 5.337 14.559 1.00 0.00 N ATOM 1732 CA PHE B 19 0.004 4.916 14.087 1.00 0.00 C ATOM 1733 C PHE B 19 -0.817 4.301 15.218 1.00 0.00 C ATOM 1734 O PHE B 19 -1.013 3.085 15.251 1.00 0.00 O ATOM 1735 CB PHE B 19 0.119 3.908 12.937 1.00 0.00 C ATOM 1736 CG PHE B 19 0.682 4.477 11.663 1.00 0.00 C ATOM 1737 CD1 PHE B 19 0.094 5.579 11.061 1.00 0.00 C ATOM 1738 CD2 PHE B 19 1.786 3.897 11.060 1.00 0.00 C ATOM 1739 CE1 PHE B 19 0.601 6.092 9.881 1.00 0.00 C ATOM 1740 CE2 PHE B 19 2.299 4.404 9.884 1.00 0.00 C ATOM 1741 CZ PHE B 19 1.707 5.503 9.293 1.00 0.00 C ATOM 0 H PHE B 19 2.058 4.644 14.432 1.00 0.00 H new ATOM 0 HA PHE B 19 -0.504 5.809 13.723 1.00 0.00 H new ATOM 0 HB2 PHE B 19 0.749 3.079 13.259 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -0.869 3.497 12.731 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -0.768 6.041 11.518 1.00 0.00 H new ATOM 0 HD2 PHE B 19 2.251 3.036 11.517 1.00 0.00 H new ATOM 0 HE1 PHE B 19 0.135 6.950 9.419 1.00 0.00 H new ATOM 0 HE2 PHE B 19 3.162 3.943 9.427 1.00 0.00 H new ATOM 0 HZ PHE B 19 2.107 5.903 8.373 1.00 0.00 H new ATOM 1751 N GLN B 20 -1.248 5.149 16.154 1.00 0.00 N ATOM 1752 CA GLN B 20 -2.150 4.753 17.243 1.00 0.00 C ATOM 1753 C GLN B 20 -1.714 3.439 17.902 1.00 0.00 C ATOM 1754 O GLN B 20 -2.312 2.382 17.676 1.00 0.00 O ATOM 1755 CB GLN B 20 -3.586 4.649 16.710 1.00 0.00 C ATOM 1756 CG GLN B 20 -4.647 4.444 17.784 1.00 0.00 C ATOM 1757 CD GLN B 20 -6.051 4.402 17.202 1.00 0.00 C ATOM 1758 OE1 GLN B 20 -6.333 5.042 16.189 1.00 0.00 O ATOM 1759 NE2 GLN B 20 -6.938 3.648 17.828 1.00 0.00 N ATOM 0 H GLN B 20 -0.982 6.133 16.180 1.00 0.00 H new ATOM 0 HA GLN B 20 -2.107 5.521 18.015 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -3.820 5.557 16.155 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -3.638 3.821 16.003 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -4.448 3.514 18.316 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -4.582 5.250 18.515 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -6.668 3.132 18.665 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -7.892 3.583 17.474 1.00 0.00 H new ATOM 1768 N GLY B 21 -0.649 3.506 18.688 1.00 0.00 N ATOM 1769 CA GLY B 21 -0.142 2.321 19.359 1.00 0.00 C ATOM 1770 C GLY B 21 0.823 1.530 18.493 1.00 0.00 C ATOM 1771 O GLY B 21 1.899 1.148 18.946 1.00 0.00 O ATOM 0 H GLY B 21 -0.124 4.361 18.875 1.00 0.00 H new ATOM 0 HA2 GLY B 21 0.360 2.616 20.280 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -0.978 1.682 19.642 1.00 0.00 H new ATOM 1775 N MET B 22 0.423 1.288 17.240 1.00 0.00 N ATOM 1776 CA MET B 22 1.224 0.534 16.268 1.00 0.00 C ATOM 1777 C MET B 22 1.347 -0.941 16.641 1.00 0.00 C ATOM 1778 O MET B 22 2.114 -1.686 16.030 1.00 0.00 O ATOM 1779 CB MET B 22 2.613 1.151 16.083 1.00 0.00 C ATOM 1780 CG MET B 22 2.578 2.542 15.481 1.00 0.00 C ATOM 1781 SD MET B 22 4.216 3.165 15.065 1.00 0.00 S ATOM 1782 CE MET B 22 4.722 1.975 13.822 1.00 0.00 C ATOM 0 H MET B 22 -0.470 1.611 16.869 1.00 0.00 H new ATOM 0 HA MET B 22 0.690 0.594 15.320 1.00 0.00 H new ATOM 0 HB2 MET B 22 3.115 1.194 17.049 1.00 0.00 H new ATOM 0 HB3 MET B 22 3.209 0.501 15.443 1.00 0.00 H new ATOM 0 HG2 MET B 22 1.961 2.529 14.583 1.00 0.00 H new ATOM 0 HG3 MET B 22 2.102 3.225 16.184 1.00 0.00 H new ATOM 0 HE1 MET B 22 5.231 2.492 13.009 1.00 0.00 H new ATOM 0 HE2 MET B 22 5.399 1.247 14.269 1.00 0.00 H new ATOM 0 HE3 MET B 22 3.844 1.461 13.431 1.00 0.00 H new ATOM 1792 N THR B 23 0.591 -1.361 17.634 1.00 0.00 N ATOM 1793 CA THR B 23 0.528 -2.760 17.995 1.00 0.00 C ATOM 1794 C THR B 23 -0.644 -3.433 17.291 1.00 0.00 C ATOM 1795 O THR B 23 -0.471 -4.375 16.519 1.00 0.00 O ATOM 1796 CB THR B 23 0.379 -2.923 19.518 1.00 0.00 C ATOM 1797 OG1 THR B 23 -0.695 -2.097 19.991 1.00 0.00 O ATOM 1798 CG2 THR B 23 1.672 -2.552 20.236 1.00 0.00 C ATOM 0 H THR B 23 0.010 -0.750 18.207 1.00 0.00 H new ATOM 0 HA THR B 23 1.458 -3.235 17.681 1.00 0.00 H new ATOM 0 HB THR B 23 0.157 -3.968 19.732 1.00 0.00 H new ATOM 0 HG1 THR B 23 -1.382 -2.659 20.406 1.00 0.00 H new ATOM 0 HG21 THR B 23 1.540 -2.676 21.311 1.00 0.00 H new ATOM 0 HG22 THR B 23 2.478 -3.200 19.892 1.00 0.00 H new ATOM 0 HG23 THR B 23 1.924 -1.514 20.019 1.00 0.00 H new ATOM 1806 N ASP B 24 -1.833 -2.910 17.547 1.00 0.00 N ATOM 1807 CA ASP B 24 -3.058 -3.473 17.003 1.00 0.00 C ATOM 1808 C ASP B 24 -3.531 -2.655 15.809 1.00 0.00 C ATOM 1809 O ASP B 24 -3.714 -3.177 14.711 1.00 0.00 O ATOM 1810 CB ASP B 24 -4.157 -3.479 18.075 1.00 0.00 C ATOM 1811 CG ASP B 24 -3.742 -4.161 19.368 1.00 0.00 C ATOM 1812 OD1 ASP B 24 -2.842 -3.636 20.058 1.00 0.00 O ATOM 1813 OD2 ASP B 24 -4.344 -5.196 19.723 1.00 0.00 O ATOM 0 H ASP B 24 -1.975 -2.088 18.134 1.00 0.00 H new ATOM 0 HA ASP B 24 -2.854 -4.495 16.683 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -4.446 -2.451 18.293 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -5.039 -3.980 17.676 1.00 0.00 H new ATOM 1818 N THR B 25 -3.701 -1.357 16.036 1.00 0.00 N ATOM 1819 CA THR B 25 -4.262 -0.454 15.039 1.00 0.00 C ATOM 1820 C THR B 25 -3.420 -0.400 13.763 1.00 0.00 C ATOM 1821 O THR B 25 -3.945 -0.143 12.682 1.00 0.00 O ATOM 1822 CB THR B 25 -4.380 0.965 15.613 1.00 0.00 C ATOM 1823 OG1 THR B 25 -4.699 0.897 17.010 1.00 0.00 O ATOM 1824 CG2 THR B 25 -5.453 1.755 14.881 1.00 0.00 C ATOM 0 H THR B 25 -3.454 -0.902 16.915 1.00 0.00 H new ATOM 0 HA THR B 25 -5.247 -0.844 14.782 1.00 0.00 H new ATOM 0 HB THR B 25 -3.424 1.472 15.480 1.00 0.00 H new ATOM 0 HG1 THR B 25 -4.004 1.356 17.527 1.00 0.00 H new ATOM 0 HG21 THR B 25 -5.519 2.757 15.304 1.00 0.00 H new ATOM 0 HG22 THR B 25 -5.197 1.824 13.824 1.00 0.00 H new ATOM 0 HG23 THR B 25 -6.413 1.251 14.989 1.00 0.00 H new ATOM 1832 N ALA B 26 -2.120 -0.651 13.893 1.00 0.00 N ATOM 1833 CA ALA B 26 -1.208 -0.587 12.753 1.00 0.00 C ATOM 1834 C ALA B 26 -1.648 -1.540 11.648 1.00 0.00 C ATOM 1835 O ALA B 26 -1.714 -1.165 10.480 1.00 0.00 O ATOM 1836 CB ALA B 26 0.212 -0.911 13.190 1.00 0.00 C ATOM 0 H ALA B 26 -1.674 -0.901 14.776 1.00 0.00 H new ATOM 0 HA ALA B 26 -1.232 0.429 12.359 1.00 0.00 H new ATOM 0 HB1 ALA B 26 0.878 -0.859 12.329 1.00 0.00 H new ATOM 0 HB2 ALA B 26 0.534 -0.191 13.942 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.243 -1.915 13.612 1.00 0.00 H new ATOM 1842 N ALA B 27 -1.978 -2.768 12.033 1.00 0.00 N ATOM 1843 CA ALA B 27 -2.391 -3.783 11.072 1.00 0.00 C ATOM 1844 C ALA B 27 -3.733 -3.421 10.448 1.00 0.00 C ATOM 1845 O ALA B 27 -4.018 -3.773 9.303 1.00 0.00 O ATOM 1846 CB ALA B 27 -2.466 -5.146 11.746 1.00 0.00 C ATOM 0 H ALA B 27 -1.967 -3.084 13.003 1.00 0.00 H new ATOM 0 HA ALA B 27 -1.648 -3.827 10.276 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -2.776 -5.896 11.018 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -1.486 -5.410 12.144 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -3.190 -5.110 12.560 1.00 0.00 H new ATOM 1852 N GLU B 28 -4.548 -2.697 11.201 1.00 0.00 N ATOM 1853 CA GLU B 28 -5.869 -2.312 10.737 1.00 0.00 C ATOM 1854 C GLU B 28 -5.798 -1.129 9.776 1.00 0.00 C ATOM 1855 O GLU B 28 -6.516 -1.091 8.778 1.00 0.00 O ATOM 1856 CB GLU B 28 -6.775 -1.983 11.925 1.00 0.00 C ATOM 1857 CG GLU B 28 -8.125 -1.422 11.516 1.00 0.00 C ATOM 1858 CD GLU B 28 -9.153 -1.484 12.621 1.00 0.00 C ATOM 1859 OE1 GLU B 28 -9.176 -0.567 13.467 1.00 0.00 O ATOM 1860 OE2 GLU B 28 -9.961 -2.441 12.632 1.00 0.00 O ATOM 0 H GLU B 28 -4.316 -2.365 12.137 1.00 0.00 H new ATOM 0 HA GLU B 28 -6.293 -3.157 10.194 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -6.929 -2.886 12.516 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -6.270 -1.263 12.569 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -8.001 -0.386 11.202 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -8.495 -1.975 10.653 1.00 0.00 H new ATOM 1867 N ASP B 29 -4.923 -0.173 10.061 1.00 0.00 N ATOM 1868 CA ASP B 29 -4.831 1.025 9.231 1.00 0.00 C ATOM 1869 C ASP B 29 -4.070 0.728 7.943 1.00 0.00 C ATOM 1870 O ASP B 29 -4.297 1.366 6.916 1.00 0.00 O ATOM 1871 CB ASP B 29 -4.177 2.177 9.998 1.00 0.00 C ATOM 1872 CG ASP B 29 -4.683 3.528 9.520 1.00 0.00 C ATOM 1873 OD1 ASP B 29 -5.920 3.727 9.527 1.00 0.00 O ATOM 1874 OD2 ASP B 29 -3.861 4.394 9.155 1.00 0.00 O ATOM 0 H ASP B 29 -4.275 -0.200 10.848 1.00 0.00 H new ATOM 0 HA ASP B 29 -5.843 1.333 8.967 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -4.381 2.068 11.063 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -3.095 2.129 9.874 1.00 0.00 H new ATOM 1879 N VAL B 30 -3.179 -0.258 7.989 1.00 0.00 N ATOM 1880 CA VAL B 30 -2.509 -0.727 6.780 1.00 0.00 C ATOM 1881 C VAL B 30 -3.484 -1.548 5.930 1.00 0.00 C ATOM 1882 O VAL B 30 -3.396 -1.566 4.701 1.00 0.00 O ATOM 1883 CB VAL B 30 -1.243 -1.558 7.105 1.00 0.00 C ATOM 1884 CG1 VAL B 30 -0.628 -2.135 5.839 1.00 0.00 C ATOM 1885 CG2 VAL B 30 -0.221 -0.705 7.841 1.00 0.00 C ATOM 0 H VAL B 30 -2.906 -0.744 8.843 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.185 0.148 6.217 1.00 0.00 H new ATOM 0 HB VAL B 30 -1.541 -2.386 7.749 1.00 0.00 H new ATOM 0 HG11 VAL B 30 0.259 -2.714 6.096 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -1.353 -2.782 5.345 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -0.349 -1.323 5.167 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.662 -1.305 8.062 1.00 0.00 H new ATOM 0 HG22 VAL B 30 0.062 0.143 7.217 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.654 -0.341 8.773 1.00 0.00 H new ATOM 1895 N ARG B 31 -4.430 -2.207 6.596 1.00 0.00 N ATOM 1896 CA ARG B 31 -5.495 -2.943 5.911 1.00 0.00 C ATOM 1897 C ARG B 31 -6.244 -2.017 4.954 1.00 0.00 C ATOM 1898 O ARG B 31 -6.753 -2.451 3.920 1.00 0.00 O ATOM 1899 CB ARG B 31 -6.469 -3.538 6.934 1.00 0.00 C ATOM 1900 CG ARG B 31 -7.597 -4.347 6.313 1.00 0.00 C ATOM 1901 CD ARG B 31 -8.552 -4.887 7.369 1.00 0.00 C ATOM 1902 NE ARG B 31 -9.349 -3.829 8.003 1.00 0.00 N ATOM 1903 CZ ARG B 31 -9.538 -3.721 9.322 1.00 0.00 C ATOM 1904 NH1 ARG B 31 -8.925 -4.554 10.153 1.00 0.00 N ATOM 1905 NH2 ARG B 31 -10.334 -2.777 9.813 1.00 0.00 N ATOM 0 H ARG B 31 -4.482 -2.247 7.614 1.00 0.00 H new ATOM 0 HA ARG B 31 -5.046 -3.754 5.338 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -5.914 -4.176 7.622 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -6.898 -2.729 7.526 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -8.148 -3.723 5.610 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -7.179 -5.176 5.743 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -9.221 -5.615 6.910 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -7.982 -5.415 8.133 1.00 0.00 H new ATOM 0 HE ARG B 31 -9.786 -3.133 7.399 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -8.308 -5.279 9.786 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -9.071 -4.470 11.159 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -10.806 -2.129 9.182 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -10.473 -2.701 10.821 1.00 0.00 H new ATOM 1919 N LYS B 32 -6.291 -0.739 5.316 1.00 0.00 N ATOM 1920 CA LYS B 32 -6.953 0.292 4.523 1.00 0.00 C ATOM 1921 C LYS B 32 -6.443 0.282 3.079 1.00 0.00 C ATOM 1922 O LYS B 32 -7.222 0.154 2.136 1.00 0.00 O ATOM 1923 CB LYS B 32 -6.680 1.658 5.157 1.00 0.00 C ATOM 1924 CG LYS B 32 -7.658 2.752 4.771 1.00 0.00 C ATOM 1925 CD LYS B 32 -9.023 2.521 5.398 1.00 0.00 C ATOM 1926 CE LYS B 32 -9.799 3.822 5.513 1.00 0.00 C ATOM 1927 NZ LYS B 32 -9.164 4.755 6.481 1.00 0.00 N ATOM 0 H LYS B 32 -5.868 -0.387 6.174 1.00 0.00 H new ATOM 0 HA LYS B 32 -8.024 0.093 4.507 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -6.692 1.547 6.241 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -5.675 1.976 4.880 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -7.269 3.719 5.089 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -7.756 2.789 3.686 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -9.588 1.809 4.796 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -8.902 2.077 6.386 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -9.859 4.298 4.534 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -10.821 3.610 5.828 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -9.878 5.419 6.843 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -8.762 4.213 7.272 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -8.407 5.287 6.005 1.00 0.00 H new ATOM 1941 N ILE B 33 -5.130 0.403 2.916 1.00 0.00 N ATOM 1942 CA ILE B 33 -4.528 0.416 1.586 1.00 0.00 C ATOM 1943 C ILE B 33 -4.448 -0.991 1.006 1.00 0.00 C ATOM 1944 O ILE B 33 -4.489 -1.175 -0.211 1.00 0.00 O ATOM 1945 CB ILE B 33 -3.117 1.050 1.591 1.00 0.00 C ATOM 1946 CG1 ILE B 33 -2.206 0.364 2.614 1.00 0.00 C ATOM 1947 CG2 ILE B 33 -3.211 2.543 1.874 1.00 0.00 C ATOM 1948 CD1 ILE B 33 -0.778 0.873 2.602 1.00 0.00 C ATOM 0 H ILE B 33 -4.464 0.493 3.684 1.00 0.00 H new ATOM 0 HA ILE B 33 -5.176 1.029 0.960 1.00 0.00 H new ATOM 0 HB ILE B 33 -2.677 0.907 0.604 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -2.624 0.506 3.611 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -2.201 -0.709 2.420 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -2.211 2.977 1.875 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -3.814 3.022 1.103 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -3.675 2.700 2.847 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -0.195 0.340 3.353 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -0.341 0.706 1.618 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -0.770 1.940 2.827 1.00 0.00 H new ATOM 1960 N ALA B 34 -4.344 -1.982 1.884 1.00 0.00 N ATOM 1961 CA ALA B 34 -4.296 -3.381 1.473 1.00 0.00 C ATOM 1962 C ALA B 34 -5.596 -3.791 0.783 1.00 0.00 C ATOM 1963 O ALA B 34 -5.598 -4.632 -0.118 1.00 0.00 O ATOM 1964 CB ALA B 34 -4.022 -4.278 2.672 1.00 0.00 C ATOM 0 H ALA B 34 -4.291 -1.841 2.893 1.00 0.00 H new ATOM 0 HA ALA B 34 -3.482 -3.498 0.758 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -3.989 -5.318 2.348 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -3.065 -4.007 3.118 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -4.815 -4.152 3.409 1.00 0.00 H new ATOM 1970 N THR B 35 -6.698 -3.192 1.212 1.00 0.00 N ATOM 1971 CA THR B 35 -7.992 -3.450 0.601 1.00 0.00 C ATOM 1972 C THR B 35 -8.082 -2.767 -0.764 1.00 0.00 C ATOM 1973 O THR B 35 -8.677 -3.298 -1.703 1.00 0.00 O ATOM 1974 CB THR B 35 -9.143 -2.950 1.507 1.00 0.00 C ATOM 1975 OG1 THR B 35 -8.981 -3.472 2.835 1.00 0.00 O ATOM 1976 CG2 THR B 35 -10.496 -3.378 0.956 1.00 0.00 C ATOM 0 H THR B 35 -6.721 -2.523 1.982 1.00 0.00 H new ATOM 0 HA THR B 35 -8.091 -4.528 0.473 1.00 0.00 H new ATOM 0 HB THR B 35 -9.107 -1.861 1.532 1.00 0.00 H new ATOM 0 HG1 THR B 35 -8.263 -2.987 3.292 1.00 0.00 H new ATOM 0 HG21 THR B 35 -11.287 -3.014 1.611 1.00 0.00 H new ATOM 0 HG22 THR B 35 -10.631 -2.961 -0.042 1.00 0.00 H new ATOM 0 HG23 THR B 35 -10.540 -4.466 0.904 1.00 0.00 H new ATOM 1984 N ALA B 36 -7.457 -1.600 -0.868 1.00 0.00 N ATOM 1985 CA ALA B 36 -7.491 -0.809 -2.093 1.00 0.00 C ATOM 1986 C ALA B 36 -6.866 -1.563 -3.261 1.00 0.00 C ATOM 1987 O ALA B 36 -7.489 -1.715 -4.310 1.00 0.00 O ATOM 1988 CB ALA B 36 -6.783 0.523 -1.887 1.00 0.00 C ATOM 0 H ALA B 36 -6.917 -1.178 -0.113 1.00 0.00 H new ATOM 0 HA ALA B 36 -8.537 -0.620 -2.336 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -6.818 1.100 -2.811 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -7.279 1.080 -1.092 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -5.744 0.344 -1.610 1.00 0.00 H new ATOM 1994 N LEU B 37 -5.645 -2.048 -3.064 1.00 0.00 N ATOM 1995 CA LEU B 37 -4.912 -2.743 -4.116 1.00 0.00 C ATOM 1996 C LEU B 37 -5.624 -4.025 -4.547 1.00 0.00 C ATOM 1997 O LEU B 37 -5.423 -4.512 -5.659 1.00 0.00 O ATOM 1998 CB LEU B 37 -3.473 -3.030 -3.660 1.00 0.00 C ATOM 1999 CG LEU B 37 -3.315 -3.808 -2.345 1.00 0.00 C ATOM 2000 CD1 LEU B 37 -3.405 -5.312 -2.579 1.00 0.00 C ATOM 2001 CD2 LEU B 37 -1.998 -3.452 -1.673 1.00 0.00 C ATOM 0 H LEU B 37 -5.140 -1.972 -2.181 1.00 0.00 H new ATOM 0 HA LEU B 37 -4.874 -2.092 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.969 -3.588 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -2.951 -2.079 -3.559 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.134 -3.522 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -3.290 -5.835 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -4.375 -5.555 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -2.615 -5.622 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -1.901 -4.012 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.171 -3.705 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -1.976 -2.384 -1.458 1.00 0.00 H new ATOM 2013 N LEU B 38 -6.448 -4.567 -3.664 1.00 0.00 N ATOM 2014 CA LEU B 38 -7.178 -5.793 -3.955 1.00 0.00 C ATOM 2015 C LEU B 38 -8.385 -5.497 -4.845 1.00 0.00 C ATOM 2016 O LEU B 38 -8.682 -6.250 -5.769 1.00 0.00 O ATOM 2017 CB LEU B 38 -7.618 -6.453 -2.635 1.00 0.00 C ATOM 2018 CG LEU B 38 -8.143 -7.897 -2.731 1.00 0.00 C ATOM 2019 CD1 LEU B 38 -8.063 -8.572 -1.371 1.00 0.00 C ATOM 2020 CD2 LEU B 38 -9.579 -7.936 -3.233 1.00 0.00 C ATOM 0 H LEU B 38 -6.629 -4.178 -2.739 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.527 -6.482 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -6.771 -6.443 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.397 -5.836 -2.188 1.00 0.00 H new ATOM 0 HG LEU B 38 -7.516 -8.431 -3.445 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -8.437 -9.593 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -7.027 -8.590 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.668 -8.018 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -9.917 -8.971 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -10.219 -7.381 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -9.631 -7.484 -4.223 1.00 0.00 H new ATOM 2032 N LYS B 39 -9.062 -4.393 -4.568 1.00 0.00 N ATOM 2033 CA LYS B 39 -10.316 -4.078 -5.229 1.00 0.00 C ATOM 2034 C LYS B 39 -10.100 -3.227 -6.476 1.00 0.00 C ATOM 2035 O LYS B 39 -10.774 -3.416 -7.494 1.00 0.00 O ATOM 2036 CB LYS B 39 -11.243 -3.354 -4.254 1.00 0.00 C ATOM 2037 CG LYS B 39 -11.648 -4.189 -3.045 1.00 0.00 C ATOM 2038 CD LYS B 39 -12.410 -5.446 -3.445 1.00 0.00 C ATOM 2039 CE LYS B 39 -13.739 -5.122 -4.114 1.00 0.00 C ATOM 2040 NZ LYS B 39 -14.662 -4.385 -3.209 1.00 0.00 N ATOM 0 H LYS B 39 -8.760 -3.698 -3.886 1.00 0.00 H new ATOM 0 HA LYS B 39 -10.774 -5.015 -5.546 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -10.750 -2.446 -3.907 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -12.142 -3.044 -4.786 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -10.757 -4.469 -2.484 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -12.267 -3.587 -2.380 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -11.798 -6.040 -4.124 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -12.589 -6.057 -2.561 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -13.557 -4.526 -5.008 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -14.215 -6.047 -4.439 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -15.610 -4.350 -3.634 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -14.712 -4.873 -2.292 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -14.310 -3.417 -3.068 1.00 0.00 H new ATOM 2054 N THR B 40 -9.169 -2.290 -6.398 1.00 0.00 N ATOM 2055 CA THR B 40 -8.918 -1.385 -7.501 1.00 0.00 C ATOM 2056 C THR B 40 -7.448 -0.974 -7.565 1.00 0.00 C ATOM 2057 O THR B 40 -7.014 0.014 -6.974 1.00 0.00 O ATOM 2058 CB THR B 40 -9.844 -0.146 -7.447 1.00 0.00 C ATOM 2059 OG1 THR B 40 -9.461 0.813 -8.438 1.00 0.00 O ATOM 2060 CG2 THR B 40 -9.847 0.501 -6.065 1.00 0.00 C ATOM 0 H THR B 40 -8.576 -2.139 -5.582 1.00 0.00 H new ATOM 0 HA THR B 40 -9.150 -1.926 -8.418 1.00 0.00 H new ATOM 0 HB THR B 40 -10.857 -0.490 -7.656 1.00 0.00 H new ATOM 0 HG1 THR B 40 -10.161 1.494 -8.522 1.00 0.00 H new ATOM 0 HG21 THR B 40 -10.509 1.367 -6.070 1.00 0.00 H new ATOM 0 HG22 THR B 40 -10.198 -0.220 -5.327 1.00 0.00 H new ATOM 0 HG23 THR B 40 -8.836 0.819 -5.810 1.00 0.00 H new ATOM 2068 N ALA B 41 -6.688 -1.791 -8.263 1.00 0.00 N ATOM 2069 CA ALA B 41 -5.291 -1.514 -8.562 1.00 0.00 C ATOM 2070 C ALA B 41 -4.875 -2.333 -9.767 1.00 0.00 C ATOM 2071 O ALA B 41 -4.518 -1.792 -10.812 1.00 0.00 O ATOM 2072 CB ALA B 41 -4.396 -1.838 -7.376 1.00 0.00 C ATOM 0 H ALA B 41 -7.022 -2.676 -8.645 1.00 0.00 H new ATOM 0 HA ALA B 41 -5.182 -0.451 -8.776 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -3.359 -1.620 -7.632 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -4.693 -1.233 -6.520 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.493 -2.894 -7.125 1.00 0.00 H new ATOM 2078 N ILE B 42 -4.965 -3.644 -9.618 1.00 0.00 N ATOM 2079 CA ILE B 42 -4.675 -4.562 -10.705 1.00 0.00 C ATOM 2080 C ILE B 42 -5.834 -4.554 -11.695 1.00 0.00 C ATOM 2081 O ILE B 42 -6.964 -4.894 -11.340 1.00 0.00 O ATOM 2082 CB ILE B 42 -4.452 -5.994 -10.170 1.00 0.00 C ATOM 2083 CG1 ILE B 42 -3.329 -6.014 -9.128 1.00 0.00 C ATOM 2084 CG2 ILE B 42 -4.143 -6.959 -11.302 1.00 0.00 C ATOM 2085 CD1 ILE B 42 -1.985 -5.554 -9.660 1.00 0.00 C ATOM 0 H ILE B 42 -5.239 -4.099 -8.747 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.762 -4.238 -11.204 1.00 0.00 H new ATOM 0 HB ILE B 42 -5.375 -6.319 -9.691 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -3.614 -5.378 -8.290 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -3.227 -7.027 -8.739 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -3.991 -7.959 -10.896 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -4.977 -6.975 -12.004 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -3.240 -6.636 -11.819 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -1.244 -5.597 -8.862 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -1.676 -6.204 -10.478 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -2.069 -4.529 -10.023 1.00 0.00 H new ATOM 2097 N GLU B 43 -5.565 -4.142 -12.920 1.00 0.00 N ATOM 2098 CA GLU B 43 -6.614 -4.005 -13.917 1.00 0.00 C ATOM 2099 C GLU B 43 -6.560 -5.132 -14.934 1.00 0.00 C ATOM 2100 O GLU B 43 -5.619 -5.932 -14.960 1.00 0.00 O ATOM 2101 CB GLU B 43 -6.537 -2.648 -14.632 1.00 0.00 C ATOM 2102 CG GLU B 43 -5.218 -2.372 -15.335 1.00 0.00 C ATOM 2103 CD GLU B 43 -4.094 -2.081 -14.367 1.00 0.00 C ATOM 2104 OE1 GLU B 43 -3.929 -0.909 -13.977 1.00 0.00 O ATOM 2105 OE2 GLU B 43 -3.373 -3.025 -13.989 1.00 0.00 O ATOM 0 H GLU B 43 -4.631 -3.896 -13.249 1.00 0.00 H new ATOM 0 HA GLU B 43 -7.565 -4.061 -13.388 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -7.342 -2.593 -15.365 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -6.716 -1.858 -13.903 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -4.951 -3.232 -15.949 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -5.340 -1.525 -16.010 1.00 0.00 H new ATOM 2112 N ILE B 44 -7.578 -5.182 -15.773 1.00 0.00 N ATOM 2113 CA ILE B 44 -7.711 -6.233 -16.761 1.00 0.00 C ATOM 2114 C ILE B 44 -8.154 -5.649 -18.095 1.00 0.00 C ATOM 2115 O ILE B 44 -9.125 -4.895 -18.165 1.00 0.00 O ATOM 2116 CB ILE B 44 -8.703 -7.325 -16.264 1.00 0.00 C ATOM 2117 CG1 ILE B 44 -8.928 -8.433 -17.314 1.00 0.00 C ATOM 2118 CG2 ILE B 44 -10.028 -6.706 -15.839 1.00 0.00 C ATOM 2119 CD1 ILE B 44 -10.034 -8.149 -18.317 1.00 0.00 C ATOM 0 H ILE B 44 -8.333 -4.497 -15.788 1.00 0.00 H new ATOM 0 HA ILE B 44 -6.740 -6.706 -16.906 1.00 0.00 H new ATOM 0 HB ILE B 44 -8.246 -7.796 -15.394 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -7.997 -8.593 -17.858 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -9.158 -9.364 -16.795 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -10.703 -7.490 -15.496 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -9.855 -5.997 -15.030 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -10.476 -6.187 -16.687 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -10.117 -8.984 -19.013 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -10.979 -8.021 -17.790 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -9.800 -7.238 -18.868 1.00 0.00 H new ATOM 2131 N VAL B 45 -7.414 -5.973 -19.143 1.00 0.00 N ATOM 2132 CA VAL B 45 -7.771 -5.555 -20.487 1.00 0.00 C ATOM 2133 C VAL B 45 -8.428 -6.710 -21.234 1.00 0.00 C ATOM 2134 O VAL B 45 -7.790 -7.724 -21.534 1.00 0.00 O ATOM 2135 CB VAL B 45 -6.550 -5.023 -21.277 1.00 0.00 C ATOM 2136 CG1 VAL B 45 -6.135 -3.654 -20.751 1.00 0.00 C ATOM 2137 CG2 VAL B 45 -5.372 -5.990 -21.205 1.00 0.00 C ATOM 0 H VAL B 45 -6.559 -6.527 -19.087 1.00 0.00 H new ATOM 0 HA VAL B 45 -8.479 -4.731 -20.399 1.00 0.00 H new ATOM 0 HB VAL B 45 -6.846 -4.931 -22.322 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -5.276 -3.292 -21.316 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -6.963 -2.955 -20.864 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -5.869 -3.735 -19.697 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -4.533 -5.584 -21.770 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -5.076 -6.126 -20.165 1.00 0.00 H new ATOM 0 HG23 VAL B 45 -5.664 -6.951 -21.628 1.00 0.00 H new ATOM 2147 N SER B 46 -9.714 -6.571 -21.496 1.00 0.00 N ATOM 2148 CA SER B 46 -10.485 -7.640 -22.101 1.00 0.00 C ATOM 2149 C SER B 46 -10.653 -7.450 -23.600 1.00 0.00 C ATOM 2150 O SER B 46 -11.131 -6.416 -24.068 1.00 0.00 O ATOM 2151 CB SER B 46 -11.852 -7.748 -21.424 1.00 0.00 C ATOM 2152 OG SER B 46 -12.392 -6.465 -21.137 1.00 0.00 O ATOM 0 H SER B 46 -10.248 -5.725 -21.298 1.00 0.00 H new ATOM 0 HA SER B 46 -9.931 -8.567 -21.953 1.00 0.00 H new ATOM 0 HB2 SER B 46 -12.537 -8.296 -22.070 1.00 0.00 H new ATOM 0 HB3 SER B 46 -11.758 -8.320 -20.501 1.00 0.00 H new ATOM 0 HG SER B 46 -13.266 -6.567 -20.706 1.00 0.00 H new ATOM 2158 N GLU B 47 -10.234 -8.456 -24.344 1.00 0.00 N ATOM 2159 CA GLU B 47 -10.483 -8.509 -25.767 1.00 0.00 C ATOM 2160 C GLU B 47 -11.818 -9.176 -26.020 1.00 0.00 C ATOM 2161 O GLU B 47 -12.016 -10.345 -25.680 1.00 0.00 O ATOM 2162 CB GLU B 47 -9.367 -9.256 -26.494 1.00 0.00 C ATOM 2163 CG GLU B 47 -8.285 -8.347 -27.046 1.00 0.00 C ATOM 2164 CD GLU B 47 -8.810 -7.446 -28.143 1.00 0.00 C ATOM 2165 OE1 GLU B 47 -9.096 -7.955 -29.245 1.00 0.00 O ATOM 2166 OE2 GLU B 47 -8.946 -6.225 -27.912 1.00 0.00 O ATOM 0 H GLU B 47 -9.714 -9.254 -23.979 1.00 0.00 H new ATOM 0 HA GLU B 47 -10.507 -7.491 -26.156 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -8.913 -9.971 -25.808 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -9.800 -9.830 -27.313 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -7.877 -7.737 -26.240 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -7.466 -8.952 -27.434 1.00 0.00 H new ATOM 2173 N GLU B 48 -12.733 -8.417 -26.598 1.00 0.00 N ATOM 2174 CA GLU B 48 -14.067 -8.912 -26.893 1.00 0.00 C ATOM 2175 C GLU B 48 -13.991 -10.069 -27.877 1.00 0.00 C ATOM 2176 O GLU B 48 -14.836 -10.966 -27.872 1.00 0.00 O ATOM 2177 CB GLU B 48 -14.931 -7.794 -27.470 1.00 0.00 C ATOM 2178 CG GLU B 48 -16.386 -8.186 -27.647 1.00 0.00 C ATOM 2179 CD GLU B 48 -17.174 -7.144 -28.397 1.00 0.00 C ATOM 2180 OE1 GLU B 48 -17.215 -7.213 -29.641 1.00 0.00 O ATOM 2181 OE2 GLU B 48 -17.760 -6.253 -27.749 1.00 0.00 O ATOM 0 H GLU B 48 -12.575 -7.448 -26.874 1.00 0.00 H new ATOM 0 HA GLU B 48 -14.520 -9.264 -25.966 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -14.874 -6.926 -26.814 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -14.524 -7.492 -28.435 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -16.442 -9.134 -28.182 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -16.838 -8.345 -26.668 1.00 0.00 H new ATOM 2188 N ASP B 49 -12.972 -10.040 -28.720 1.00 0.00 N ATOM 2189 CA ASP B 49 -12.776 -11.091 -29.703 1.00 0.00 C ATOM 2190 C ASP B 49 -12.326 -12.384 -29.030 1.00 0.00 C ATOM 2191 O ASP B 49 -12.962 -13.427 -29.189 1.00 0.00 O ATOM 2192 CB ASP B 49 -11.755 -10.673 -30.759 1.00 0.00 C ATOM 2193 CG ASP B 49 -11.656 -11.690 -31.877 1.00 0.00 C ATOM 2194 OD1 ASP B 49 -12.531 -11.681 -32.770 1.00 0.00 O ATOM 2195 OD2 ASP B 49 -10.711 -12.507 -31.868 1.00 0.00 O ATOM 0 H ASP B 49 -12.269 -9.301 -28.743 1.00 0.00 H new ATOM 0 HA ASP B 49 -13.733 -11.264 -30.196 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -12.035 -9.704 -31.172 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -10.778 -10.550 -30.292 1.00 0.00 H new ATOM 2200 N GLY B 50 -11.241 -12.318 -28.270 1.00 0.00 N ATOM 2201 CA GLY B 50 -10.750 -13.511 -27.617 1.00 0.00 C ATOM 2202 C GLY B 50 -9.578 -13.270 -26.685 1.00 0.00 C ATOM 2203 O GLY B 50 -8.421 -13.330 -27.103 1.00 0.00 O ATOM 0 H GLY B 50 -10.700 -11.471 -28.097 1.00 0.00 H new ATOM 0 HA2 GLY B 50 -11.564 -13.963 -27.050 1.00 0.00 H new ATOM 0 HA3 GLY B 50 -10.453 -14.232 -28.378 1.00 0.00 H new ATOM 2207 N GLY B 51 -9.876 -12.979 -25.427 1.00 0.00 N ATOM 2208 CA GLY B 51 -8.854 -13.011 -24.400 1.00 0.00 C ATOM 2209 C GLY B 51 -8.912 -11.839 -23.449 1.00 0.00 C ATOM 2210 O GLY B 51 -8.819 -10.686 -23.854 1.00 0.00 O ATOM 0 H GLY B 51 -10.807 -12.721 -25.099 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -8.953 -13.935 -23.830 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -7.874 -13.033 -24.876 1.00 0.00 H new ATOM 2214 N ALA B 52 -9.034 -12.145 -22.178 1.00 0.00 N ATOM 2215 CA ALA B 52 -9.009 -11.134 -21.136 1.00 0.00 C ATOM 2216 C ALA B 52 -7.689 -11.217 -20.389 1.00 0.00 C ATOM 2217 O ALA B 52 -7.301 -12.287 -19.924 1.00 0.00 O ATOM 2218 CB ALA B 52 -10.181 -11.323 -20.188 1.00 0.00 C ATOM 0 H ALA B 52 -9.153 -13.098 -21.834 1.00 0.00 H new ATOM 0 HA ALA B 52 -9.100 -10.145 -21.586 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -10.149 -10.558 -19.412 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -11.115 -11.238 -20.743 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -10.121 -12.309 -19.727 1.00 0.00 H new ATOM 2224 N HIS B 53 -6.980 -10.103 -20.292 1.00 0.00 N ATOM 2225 CA HIS B 53 -5.658 -10.115 -19.686 1.00 0.00 C ATOM 2226 C HIS B 53 -5.646 -9.327 -18.386 1.00 0.00 C ATOM 2227 O HIS B 53 -5.739 -8.100 -18.393 1.00 0.00 O ATOM 2228 CB HIS B 53 -4.619 -9.532 -20.649 1.00 0.00 C ATOM 2229 CG HIS B 53 -4.587 -10.206 -21.987 1.00 0.00 C ATOM 2230 ND1 HIS B 53 -4.146 -11.496 -22.169 1.00 0.00 N ATOM 2231 CD2 HIS B 53 -4.954 -9.761 -23.213 1.00 0.00 C ATOM 2232 CE1 HIS B 53 -4.244 -11.819 -23.443 1.00 0.00 C ATOM 2233 NE2 HIS B 53 -4.731 -10.783 -24.102 1.00 0.00 N ATOM 0 H HIS B 53 -7.293 -9.190 -20.621 1.00 0.00 H new ATOM 0 HA HIS B 53 -5.403 -11.152 -19.469 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -4.825 -8.471 -20.792 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -3.632 -9.606 -20.192 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -5.349 -8.783 -23.447 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -3.972 -12.771 -23.875 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -4.911 -10.748 -25.105 1.00 0.00 H new ATOM 2242 N ASN B 54 -5.534 -10.037 -17.277 1.00 0.00 N ATOM 2243 CA ASN B 54 -5.379 -9.411 -15.973 1.00 0.00 C ATOM 2244 C ASN B 54 -3.893 -9.264 -15.682 1.00 0.00 C ATOM 2245 O ASN B 54 -3.176 -10.261 -15.567 1.00 0.00 O ATOM 2246 CB ASN B 54 -6.057 -10.255 -14.890 1.00 0.00 C ATOM 2247 CG ASN B 54 -6.055 -9.597 -13.521 1.00 0.00 C ATOM 2248 OD1 ASN B 54 -6.181 -8.278 -13.482 1.00 0.00 O flip ATOM 2249 ND2 ASN B 54 -5.963 -10.276 -12.501 1.00 0.00 N flip ATOM 0 H ASN B 54 -5.548 -11.057 -17.253 1.00 0.00 H new ATOM 0 HA ASN B 54 -5.853 -8.430 -15.975 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -7.087 -10.455 -15.187 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -5.552 -11.219 -14.822 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -5.867 -11.289 -12.570 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -5.982 -9.826 -11.586 1.00 0.00 H new ATOM 2256 N GLN B 55 -3.432 -8.028 -15.580 1.00 0.00 N ATOM 2257 CA GLN B 55 -2.003 -7.745 -15.553 1.00 0.00 C ATOM 2258 C GLN B 55 -1.504 -7.460 -14.144 1.00 0.00 C ATOM 2259 O GLN B 55 -1.938 -6.509 -13.502 1.00 0.00 O ATOM 2260 CB GLN B 55 -1.688 -6.544 -16.445 1.00 0.00 C ATOM 2261 CG GLN B 55 -2.205 -6.675 -17.868 1.00 0.00 C ATOM 2262 CD GLN B 55 -1.861 -5.467 -18.716 1.00 0.00 C ATOM 2263 OE1 GLN B 55 -0.820 -5.432 -19.371 1.00 0.00 O ATOM 2264 NE2 GLN B 55 -2.731 -4.470 -18.700 1.00 0.00 N ATOM 0 H GLN B 55 -4.027 -7.202 -15.514 1.00 0.00 H new ATOM 0 HA GLN B 55 -1.493 -8.634 -15.923 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -2.117 -5.649 -15.995 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -0.608 -6.400 -16.474 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -1.783 -7.570 -18.325 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -3.287 -6.807 -17.849 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -3.581 -4.544 -18.141 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -2.551 -3.628 -19.246 1.00 0.00 H new ATOM 2273 N CYS B 56 -0.580 -8.278 -13.673 1.00 0.00 N ATOM 2274 CA CYS B 56 0.075 -8.023 -12.404 1.00 0.00 C ATOM 2275 C CYS B 56 1.375 -7.265 -12.651 1.00 0.00 C ATOM 2276 O CYS B 56 2.466 -7.845 -12.638 1.00 0.00 O ATOM 2277 CB CYS B 56 0.335 -9.333 -11.666 1.00 0.00 C ATOM 2278 SG CYS B 56 -1.154 -10.322 -11.404 1.00 0.00 S ATOM 0 H CYS B 56 -0.267 -9.123 -14.150 1.00 0.00 H new ATOM 0 HA CYS B 56 -0.574 -7.413 -11.776 1.00 0.00 H new ATOM 0 HB2 CYS B 56 1.058 -9.922 -12.231 1.00 0.00 H new ATOM 0 HB3 CYS B 56 0.789 -9.112 -10.700 1.00 0.00 H new ATOM 0 HG CYS B 56 -0.892 -11.290 -10.577 1.00 0.00 H new ATOM 2284 N LYS B 57 1.234 -5.963 -12.870 1.00 0.00 N ATOM 2285 CA LYS B 57 2.329 -5.110 -13.346 1.00 0.00 C ATOM 2286 C LYS B 57 3.421 -4.890 -12.298 1.00 0.00 C ATOM 2287 O LYS B 57 4.419 -4.223 -12.574 1.00 0.00 O ATOM 2288 CB LYS B 57 1.764 -3.762 -13.800 1.00 0.00 C ATOM 2289 CG LYS B 57 0.852 -3.111 -12.769 1.00 0.00 C ATOM 2290 CD LYS B 57 0.229 -1.822 -13.284 1.00 0.00 C ATOM 2291 CE LYS B 57 -0.546 -2.039 -14.574 1.00 0.00 C ATOM 2292 NZ LYS B 57 -1.382 -0.859 -14.922 1.00 0.00 N ATOM 0 H LYS B 57 0.357 -5.463 -12.724 1.00 0.00 H new ATOM 0 HA LYS B 57 2.799 -5.629 -14.181 1.00 0.00 H new ATOM 0 HB2 LYS B 57 2.590 -3.086 -14.022 1.00 0.00 H new ATOM 0 HB3 LYS B 57 1.209 -3.903 -14.728 1.00 0.00 H new ATOM 0 HG2 LYS B 57 0.062 -3.809 -12.493 1.00 0.00 H new ATOM 0 HG3 LYS B 57 1.422 -2.901 -11.864 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -0.438 -1.413 -12.525 1.00 0.00 H new ATOM 0 HD3 LYS B 57 1.012 -1.083 -13.452 1.00 0.00 H new ATOM 0 HE2 LYS B 57 0.151 -2.243 -15.387 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -1.183 -2.918 -14.472 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -1.882 -1.039 -15.816 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -2.076 -0.690 -14.166 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -0.774 -0.022 -15.028 1.00 0.00 H new ATOM 2306 N LEU B 58 3.244 -5.449 -11.110 1.00 0.00 N ATOM 2307 CA LEU B 58 4.222 -5.275 -10.042 1.00 0.00 C ATOM 2308 C LEU B 58 5.288 -6.365 -10.081 1.00 0.00 C ATOM 2309 O LEU B 58 6.403 -6.169 -9.599 1.00 0.00 O ATOM 2310 CB LEU B 58 3.539 -5.266 -8.671 1.00 0.00 C ATOM 2311 CG LEU B 58 3.086 -3.890 -8.165 1.00 0.00 C ATOM 2312 CD1 LEU B 58 2.066 -3.260 -9.098 1.00 0.00 C ATOM 2313 CD2 LEU B 58 2.514 -4.009 -6.763 1.00 0.00 C ATOM 0 H LEU B 58 2.439 -6.023 -10.860 1.00 0.00 H new ATOM 0 HA LEU B 58 4.707 -4.312 -10.202 1.00 0.00 H new ATOM 0 HB2 LEU B 58 2.669 -5.922 -8.714 1.00 0.00 H new ATOM 0 HB3 LEU B 58 4.225 -5.694 -7.940 1.00 0.00 H new ATOM 0 HG LEU B 58 3.960 -3.239 -8.141 1.00 0.00 H new ATOM 0 HD11 LEU B 58 1.768 -2.287 -8.708 1.00 0.00 H new ATOM 0 HD12 LEU B 58 2.506 -3.135 -10.087 1.00 0.00 H new ATOM 0 HD13 LEU B 58 1.191 -3.906 -9.169 1.00 0.00 H new ATOM 0 HD21 LEU B 58 2.196 -3.026 -6.415 1.00 0.00 H new ATOM 0 HD22 LEU B 58 1.658 -4.684 -6.775 1.00 0.00 H new ATOM 0 HD23 LEU B 58 3.277 -4.403 -6.091 1.00 0.00 H new ATOM 2325 N CYS B 59 4.954 -7.504 -10.670 1.00 0.00 N ATOM 2326 CA CYS B 59 5.847 -8.653 -10.641 1.00 0.00 C ATOM 2327 C CYS B 59 6.062 -9.239 -12.030 1.00 0.00 C ATOM 2328 O CYS B 59 7.199 -9.378 -12.483 1.00 0.00 O ATOM 2329 CB CYS B 59 5.295 -9.713 -9.688 1.00 0.00 C ATOM 2330 SG CYS B 59 3.506 -9.944 -9.799 1.00 0.00 S ATOM 0 H CYS B 59 4.078 -7.657 -11.170 1.00 0.00 H new ATOM 0 HA CYS B 59 6.819 -8.316 -10.281 1.00 0.00 H new ATOM 0 HB2 CYS B 59 5.787 -10.664 -9.894 1.00 0.00 H new ATOM 0 HB3 CYS B 59 5.552 -9.436 -8.666 1.00 0.00 H new ATOM 0 HG CYS B 59 3.022 -9.155 -10.712 1.00 0.00 H new ATOM 2336 N GLY B 60 4.974 -9.561 -12.710 1.00 0.00 N ATOM 2337 CA GLY B 60 5.076 -10.214 -13.996 1.00 0.00 C ATOM 2338 C GLY B 60 4.246 -11.476 -14.050 1.00 0.00 C ATOM 2339 O GLY B 60 4.774 -12.583 -14.189 1.00 0.00 O ATOM 0 H GLY B 60 4.021 -9.381 -12.394 1.00 0.00 H new ATOM 0 HA2 GLY B 60 4.749 -9.530 -14.779 1.00 0.00 H new ATOM 0 HA3 GLY B 60 6.119 -10.456 -14.200 1.00 0.00 H new ATOM 2343 N ALA B 61 2.940 -11.309 -13.919 1.00 0.00 N ATOM 2344 CA ALA B 61 2.013 -12.426 -13.975 1.00 0.00 C ATOM 2345 C ALA B 61 0.796 -12.053 -14.802 1.00 0.00 C ATOM 2346 O ALA B 61 0.383 -10.890 -14.815 1.00 0.00 O ATOM 2347 CB ALA B 61 1.590 -12.844 -12.577 1.00 0.00 C ATOM 0 H ALA B 61 2.496 -10.403 -13.772 1.00 0.00 H new ATOM 0 HA ALA B 61 2.517 -13.269 -14.447 1.00 0.00 H new ATOM 0 HB1 ALA B 61 0.896 -13.682 -12.642 1.00 0.00 H new ATOM 0 HB2 ALA B 61 2.468 -13.144 -12.006 1.00 0.00 H new ATOM 0 HB3 ALA B 61 1.102 -12.006 -12.079 1.00 0.00 H new ATOM 2353 N SER B 62 0.231 -13.025 -15.494 1.00 0.00 N ATOM 2354 CA SER B 62 -0.935 -12.777 -16.318 1.00 0.00 C ATOM 2355 C SER B 62 -2.068 -13.727 -15.957 1.00 0.00 C ATOM 2356 O SER B 62 -1.899 -14.948 -15.947 1.00 0.00 O ATOM 2357 CB SER B 62 -0.568 -12.904 -17.797 1.00 0.00 C ATOM 2358 OG SER B 62 0.512 -12.037 -18.116 1.00 0.00 O ATOM 0 H SER B 62 0.560 -13.990 -15.501 1.00 0.00 H new ATOM 0 HA SER B 62 -1.282 -11.761 -16.131 1.00 0.00 H new ATOM 0 HB2 SER B 62 -0.294 -13.935 -18.023 1.00 0.00 H new ATOM 0 HB3 SER B 62 -1.432 -12.661 -18.415 1.00 0.00 H new ATOM 0 HG SER B 62 0.737 -12.130 -19.065 1.00 0.00 H new ATOM 2364 N VAL B 63 -3.212 -13.151 -15.635 1.00 0.00 N ATOM 2365 CA VAL B 63 -4.399 -13.918 -15.306 1.00 0.00 C ATOM 2366 C VAL B 63 -5.408 -13.819 -16.447 1.00 0.00 C ATOM 2367 O VAL B 63 -5.685 -12.727 -16.934 1.00 0.00 O ATOM 2368 CB VAL B 63 -5.039 -13.403 -13.995 1.00 0.00 C ATOM 2369 CG1 VAL B 63 -6.295 -14.187 -13.643 1.00 0.00 C ATOM 2370 CG2 VAL B 63 -4.040 -13.459 -12.849 1.00 0.00 C ATOM 0 H VAL B 63 -3.344 -12.140 -15.594 1.00 0.00 H new ATOM 0 HA VAL B 63 -4.110 -14.959 -15.163 1.00 0.00 H new ATOM 0 HB VAL B 63 -5.327 -12.364 -14.156 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -6.719 -13.799 -12.717 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -7.025 -14.085 -14.446 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -6.043 -15.239 -13.513 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -4.511 -13.092 -11.937 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -3.714 -14.488 -12.700 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -3.178 -12.836 -13.087 1.00 0.00 H new ATOM 2380 N PRO B 64 -5.955 -14.958 -16.904 1.00 0.00 N ATOM 2381 CA PRO B 64 -6.938 -14.992 -17.998 1.00 0.00 C ATOM 2382 C PRO B 64 -8.274 -14.356 -17.618 1.00 0.00 C ATOM 2383 O PRO B 64 -9.174 -14.244 -18.453 1.00 0.00 O ATOM 2384 CB PRO B 64 -7.126 -16.490 -18.277 1.00 0.00 C ATOM 2385 CG PRO B 64 -5.975 -17.165 -17.606 1.00 0.00 C ATOM 2386 CD PRO B 64 -5.630 -16.308 -16.425 1.00 0.00 C ATOM 0 HA PRO B 64 -6.589 -14.422 -18.859 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -8.077 -16.847 -17.881 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -7.131 -16.693 -19.348 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -6.242 -18.174 -17.292 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -5.126 -17.257 -18.284 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -6.213 -16.577 -15.544 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -4.579 -16.399 -16.151 1.00 0.00 H new ATOM 2394 N TRP B 65 -8.391 -13.951 -16.348 1.00 0.00 N ATOM 2395 CA TRP B 65 -9.581 -13.290 -15.830 1.00 0.00 C ATOM 2396 C TRP B 65 -10.792 -14.236 -15.832 1.00 0.00 C ATOM 2397 O TRP B 65 -10.776 -15.278 -16.487 1.00 0.00 O ATOM 2398 CB TRP B 65 -9.847 -12.010 -16.636 1.00 0.00 C ATOM 2399 CG TRP B 65 -11.112 -11.302 -16.271 1.00 0.00 C ATOM 2400 CD1 TRP B 65 -12.285 -11.350 -16.956 1.00 0.00 C ATOM 2401 CD2 TRP B 65 -11.338 -10.453 -15.138 1.00 0.00 C ATOM 2402 NE1 TRP B 65 -13.232 -10.579 -16.326 1.00 0.00 N ATOM 2403 CE2 TRP B 65 -12.674 -10.016 -15.209 1.00 0.00 C ATOM 2404 CE3 TRP B 65 -10.542 -10.018 -14.075 1.00 0.00 C ATOM 2405 CZ2 TRP B 65 -13.230 -9.169 -14.258 1.00 0.00 C ATOM 2406 CZ3 TRP B 65 -11.097 -9.176 -13.131 1.00 0.00 C ATOM 2407 CH2 TRP B 65 -12.429 -8.758 -13.227 1.00 0.00 C ATOM 0 H TRP B 65 -7.656 -14.076 -15.652 1.00 0.00 H new ATOM 0 HA TRP B 65 -9.411 -13.012 -14.790 1.00 0.00 H new ATOM 0 HB2 TRP B 65 -9.009 -11.327 -16.496 1.00 0.00 H new ATOM 0 HB3 TRP B 65 -9.879 -12.263 -17.696 1.00 0.00 H new ATOM 0 HD1 TRP B 65 -12.449 -11.912 -17.863 1.00 0.00 H new ATOM 0 HE1 TRP B 65 -14.194 -10.447 -16.639 1.00 0.00 H new ATOM 0 HE3 TRP B 65 -9.513 -10.334 -13.993 1.00 0.00 H new ATOM 0 HZ2 TRP B 65 -14.258 -8.846 -14.330 1.00 0.00 H new ATOM 0 HZ3 TRP B 65 -10.492 -8.834 -12.304 1.00 0.00 H new ATOM 0 HH2 TRP B 65 -12.833 -8.098 -12.473 1.00 0.00 H new ATOM 2418 N LEU B 66 -11.804 -13.895 -15.028 1.00 0.00 N ATOM 2419 CA LEU B 66 -13.069 -14.635 -14.964 1.00 0.00 C ATOM 2420 C LEU B 66 -12.907 -15.984 -14.251 1.00 0.00 C ATOM 2421 O LEU B 66 -13.886 -16.593 -13.827 1.00 0.00 O ATOM 2422 CB LEU B 66 -13.653 -14.826 -16.372 1.00 0.00 C ATOM 2423 CG LEU B 66 -15.072 -15.395 -16.428 1.00 0.00 C ATOM 2424 CD1 LEU B 66 -16.051 -14.470 -15.721 1.00 0.00 C ATOM 2425 CD2 LEU B 66 -15.494 -15.625 -17.872 1.00 0.00 C ATOM 0 H LEU B 66 -11.769 -13.093 -14.399 1.00 0.00 H new ATOM 0 HA LEU B 66 -13.768 -14.041 -14.375 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -13.647 -13.863 -16.882 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -12.993 -15.488 -16.933 1.00 0.00 H new ATOM 0 HG LEU B 66 -15.080 -16.354 -15.910 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -17.054 -14.894 -15.773 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -15.757 -14.359 -14.677 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -16.044 -13.494 -16.206 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -16.506 -16.030 -17.895 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -15.469 -14.679 -18.413 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -14.810 -16.331 -18.343 1.00 0.00 H new ATOM 2437 N GLN B 67 -11.667 -16.430 -14.088 1.00 0.00 N ATOM 2438 CA GLN B 67 -11.382 -17.684 -13.399 1.00 0.00 C ATOM 2439 C GLN B 67 -11.365 -17.477 -11.884 1.00 0.00 C ATOM 2440 O GLN B 67 -10.581 -18.110 -11.173 1.00 0.00 O ATOM 2441 CB GLN B 67 -10.033 -18.248 -13.854 1.00 0.00 C ATOM 2442 CG GLN B 67 -9.946 -18.522 -15.347 1.00 0.00 C ATOM 2443 CD GLN B 67 -8.654 -19.224 -15.739 1.00 0.00 C ATOM 2444 OE1 GLN B 67 -7.593 -18.998 -14.975 1.00 0.00 O flip ATOM 2445 NE2 GLN B 67 -8.611 -19.978 -16.711 1.00 0.00 N flip ATOM 0 H GLN B 67 -10.839 -15.939 -14.425 1.00 0.00 H new ATOM 0 HA GLN B 67 -12.171 -18.393 -13.650 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -9.246 -17.546 -13.578 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -9.838 -19.174 -13.314 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -10.795 -19.135 -15.650 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -10.023 -17.580 -15.891 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -9.446 -20.129 -17.277 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -7.740 -20.452 -16.951 1.00 0.00 H new ATOM 2454 N THR B 68 -12.235 -16.585 -11.404 1.00 0.00 N ATOM 2455 CA THR B 68 -12.321 -16.237 -9.984 1.00 0.00 C ATOM 2456 C THR B 68 -11.129 -15.376 -9.548 1.00 0.00 C ATOM 2457 O THR B 68 -11.299 -14.342 -8.905 1.00 0.00 O ATOM 2458 CB THR B 68 -12.413 -17.500 -9.094 1.00 0.00 C ATOM 2459 OG1 THR B 68 -13.453 -18.368 -9.580 1.00 0.00 O ATOM 2460 CG2 THR B 68 -12.697 -17.130 -7.643 1.00 0.00 C ATOM 0 H THR B 68 -12.901 -16.083 -11.991 1.00 0.00 H new ATOM 0 HA THR B 68 -13.235 -15.658 -9.854 1.00 0.00 H new ATOM 0 HB THR B 68 -11.453 -18.015 -9.138 1.00 0.00 H new ATOM 0 HG1 THR B 68 -13.505 -19.166 -9.013 1.00 0.00 H new ATOM 0 HG21 THR B 68 -12.756 -18.037 -7.041 1.00 0.00 H new ATOM 0 HG22 THR B 68 -11.895 -16.496 -7.266 1.00 0.00 H new ATOM 0 HG23 THR B 68 -13.643 -16.592 -7.583 1.00 0.00 H new ATOM 2468 N GLY B 69 -9.932 -15.800 -9.924 1.00 0.00 N ATOM 2469 CA GLY B 69 -8.731 -15.078 -9.564 1.00 0.00 C ATOM 2470 C GLY B 69 -7.484 -15.854 -9.930 1.00 0.00 C ATOM 2471 O GLY B 69 -6.410 -15.273 -10.082 1.00 0.00 O ATOM 0 H GLY B 69 -9.771 -16.641 -10.478 1.00 0.00 H new ATOM 0 HA2 GLY B 69 -8.721 -14.112 -10.070 1.00 0.00 H new ATOM 0 HA3 GLY B 69 -8.734 -14.877 -8.493 1.00 0.00 H new ATOM 2543 N HIS B 74 2.586 -14.488 -6.448 1.00 0.00 N ATOM 2544 CA HIS B 74 3.352 -13.382 -6.988 1.00 0.00 C ATOM 2545 C HIS B 74 4.686 -13.274 -6.273 1.00 0.00 C ATOM 2546 O HIS B 74 4.895 -13.925 -5.248 1.00 0.00 O ATOM 2547 CB HIS B 74 2.557 -12.080 -6.880 1.00 0.00 C ATOM 2548 CG HIS B 74 1.240 -12.148 -7.588 1.00 0.00 C ATOM 2549 ND1 HIS B 74 -0.023 -11.965 -7.138 1.00 0.00 N flip ATOM 2550 CD2 HIS B 74 1.125 -12.485 -8.917 1.00 0.00 C flip ATOM 2551 CE1 HIS B 74 -0.869 -12.194 -8.194 1.00 0.00 C flip ATOM 2552 NE2 HIS B 74 -0.148 -12.505 -9.253 1.00 0.00 N flip ATOM 0 HA HIS B 74 3.547 -13.566 -8.044 1.00 0.00 H new ATOM 0 HB2 HIS B 74 2.388 -11.848 -5.828 1.00 0.00 H new ATOM 0 HB3 HIS B 74 3.147 -11.263 -7.296 1.00 0.00 H new ATOM 0 HD1 HIS B 74 -0.296 -11.705 -6.190 1.00 0.00 H new ATOM 0 HD2 HIS B 74 1.950 -12.700 -9.581 1.00 0.00 H new ATOM 0 HE1 HIS B 74 -1.947 -12.130 -8.163 1.00 0.00 H new ATOM 2561 N ALA B 75 5.580 -12.467 -6.829 1.00 0.00 N ATOM 2562 CA ALA B 75 6.932 -12.319 -6.310 1.00 0.00 C ATOM 2563 C ALA B 75 6.937 -11.941 -4.834 1.00 0.00 C ATOM 2564 O ALA B 75 6.236 -11.018 -4.410 1.00 0.00 O ATOM 2565 CB ALA B 75 7.692 -11.282 -7.124 1.00 0.00 C ATOM 0 H ALA B 75 5.388 -11.897 -7.653 1.00 0.00 H new ATOM 0 HA ALA B 75 7.429 -13.285 -6.400 1.00 0.00 H new ATOM 0 HB1 ALA B 75 8.702 -11.178 -6.728 1.00 0.00 H new ATOM 0 HB2 ALA B 75 7.741 -11.601 -8.165 1.00 0.00 H new ATOM 0 HB3 ALA B 75 7.178 -10.323 -7.062 1.00 0.00 H new ATOM 2571 N ASP B 76 7.744 -12.658 -4.061 1.00 0.00 N ATOM 2572 CA ASP B 76 7.872 -12.419 -2.630 1.00 0.00 C ATOM 2573 C ASP B 76 8.596 -11.105 -2.366 1.00 0.00 C ATOM 2574 O ASP B 76 8.596 -10.595 -1.244 1.00 0.00 O ATOM 2575 CB ASP B 76 8.643 -13.565 -1.971 1.00 0.00 C ATOM 2576 CG ASP B 76 7.928 -14.897 -2.059 1.00 0.00 C ATOM 2577 OD1 ASP B 76 6.984 -15.131 -1.279 1.00 0.00 O ATOM 2578 OD2 ASP B 76 8.328 -15.733 -2.897 1.00 0.00 O ATOM 0 H ASP B 76 8.327 -13.420 -4.408 1.00 0.00 H new ATOM 0 HA ASP B 76 6.870 -12.362 -2.204 1.00 0.00 H new ATOM 0 HB2 ASP B 76 9.621 -13.654 -2.443 1.00 0.00 H new ATOM 0 HB3 ASP B 76 8.816 -13.322 -0.923 1.00 0.00 H new ATOM 2583 N ASP B 77 9.219 -10.570 -3.408 1.00 0.00 N ATOM 2584 CA ASP B 77 9.939 -9.305 -3.316 1.00 0.00 C ATOM 2585 C ASP B 77 9.000 -8.130 -3.541 1.00 0.00 C ATOM 2586 O ASP B 77 9.412 -6.971 -3.491 1.00 0.00 O ATOM 2587 CB ASP B 77 11.078 -9.260 -4.339 1.00 0.00 C ATOM 2588 CG ASP B 77 12.247 -10.145 -3.954 1.00 0.00 C ATOM 2589 OD1 ASP B 77 12.099 -11.388 -3.974 1.00 0.00 O ATOM 2590 OD2 ASP B 77 13.323 -9.602 -3.626 1.00 0.00 O ATOM 0 H ASP B 77 9.240 -10.996 -4.334 1.00 0.00 H new ATOM 0 HA ASP B 77 10.358 -9.230 -2.313 1.00 0.00 H new ATOM 0 HB2 ASP B 77 10.698 -9.570 -5.313 1.00 0.00 H new ATOM 0 HB3 ASP B 77 11.425 -8.232 -4.445 1.00 0.00 H new ATOM 2595 N CYS B 78 7.735 -8.431 -3.797 1.00 0.00 N ATOM 2596 CA CYS B 78 6.729 -7.400 -3.983 1.00 0.00 C ATOM 2597 C CYS B 78 5.961 -7.177 -2.685 1.00 0.00 C ATOM 2598 O CYS B 78 5.682 -8.128 -1.953 1.00 0.00 O ATOM 2599 CB CYS B 78 5.763 -7.796 -5.103 1.00 0.00 C ATOM 2600 SG CYS B 78 6.544 -7.976 -6.722 1.00 0.00 S ATOM 0 H CYS B 78 7.382 -9.384 -3.880 1.00 0.00 H new ATOM 0 HA CYS B 78 7.228 -6.472 -4.263 1.00 0.00 H new ATOM 0 HB2 CYS B 78 5.282 -8.737 -4.837 1.00 0.00 H new ATOM 0 HB3 CYS B 78 4.977 -7.044 -5.172 1.00 0.00 H new ATOM 0 HG CYS B 78 6.192 -6.985 -7.486 1.00 0.00 H new ATOM 2606 N PRO B 79 5.593 -5.918 -2.391 1.00 0.00 N ATOM 2607 CA PRO B 79 4.860 -5.564 -1.164 1.00 0.00 C ATOM 2608 C PRO B 79 3.472 -6.199 -1.109 1.00 0.00 C ATOM 2609 O PRO B 79 2.795 -6.144 -0.083 1.00 0.00 O ATOM 2610 CB PRO B 79 4.745 -4.039 -1.240 1.00 0.00 C ATOM 2611 CG PRO B 79 4.909 -3.711 -2.682 1.00 0.00 C ATOM 2612 CD PRO B 79 5.863 -4.736 -3.227 1.00 0.00 C ATOM 0 HA PRO B 79 5.372 -5.922 -0.271 1.00 0.00 H new ATOM 0 HB2 PRO B 79 3.780 -3.697 -0.865 1.00 0.00 H new ATOM 0 HB3 PRO B 79 5.512 -3.555 -0.636 1.00 0.00 H new ATOM 0 HG2 PRO B 79 3.953 -3.750 -3.203 1.00 0.00 H new ATOM 0 HG3 PRO B 79 5.302 -2.703 -2.812 1.00 0.00 H new ATOM 0 HD2 PRO B 79 5.679 -4.938 -4.282 1.00 0.00 H new ATOM 0 HD3 PRO B 79 6.899 -4.409 -3.141 1.00 0.00 H new ATOM 2620 N VAL B 80 3.058 -6.797 -2.220 1.00 0.00 N ATOM 2621 CA VAL B 80 1.776 -7.484 -2.298 1.00 0.00 C ATOM 2622 C VAL B 80 1.687 -8.586 -1.245 1.00 0.00 C ATOM 2623 O VAL B 80 0.662 -8.743 -0.582 1.00 0.00 O ATOM 2624 CB VAL B 80 1.556 -8.102 -3.695 1.00 0.00 C ATOM 2625 CG1 VAL B 80 0.177 -8.736 -3.801 1.00 0.00 C ATOM 2626 CG2 VAL B 80 1.741 -7.056 -4.780 1.00 0.00 C ATOM 0 H VAL B 80 3.597 -6.819 -3.085 1.00 0.00 H new ATOM 0 HA VAL B 80 1.000 -6.741 -2.113 1.00 0.00 H new ATOM 0 HB VAL B 80 2.302 -8.884 -3.836 1.00 0.00 H new ATOM 0 HG11 VAL B 80 0.049 -9.164 -4.795 1.00 0.00 H new ATOM 0 HG12 VAL B 80 0.080 -9.522 -3.052 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.587 -7.977 -3.631 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.581 -7.513 -5.757 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.022 -6.250 -4.635 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.753 -6.653 -4.729 1.00 0.00 H new ATOM 2636 N VAL B 81 2.774 -9.335 -1.088 1.00 0.00 N ATOM 2637 CA VAL B 81 2.812 -10.425 -0.123 1.00 0.00 C ATOM 2638 C VAL B 81 2.723 -9.877 1.294 1.00 0.00 C ATOM 2639 O VAL B 81 2.043 -10.437 2.153 1.00 0.00 O ATOM 2640 CB VAL B 81 4.092 -11.283 -0.287 1.00 0.00 C ATOM 2641 CG1 VAL B 81 5.347 -10.532 0.138 1.00 0.00 C ATOM 2642 CG2 VAL B 81 3.967 -12.595 0.472 1.00 0.00 C ATOM 0 H VAL B 81 3.637 -9.207 -1.616 1.00 0.00 H new ATOM 0 HA VAL B 81 1.952 -11.068 -0.312 1.00 0.00 H new ATOM 0 HB VAL B 81 4.193 -11.504 -1.349 1.00 0.00 H new ATOM 0 HG11 VAL B 81 6.218 -11.174 0.005 1.00 0.00 H new ATOM 0 HG12 VAL B 81 5.460 -9.637 -0.473 1.00 0.00 H new ATOM 0 HG13 VAL B 81 5.263 -10.247 1.187 1.00 0.00 H new ATOM 0 HG21 VAL B 81 4.878 -13.179 0.341 1.00 0.00 H new ATOM 0 HG22 VAL B 81 3.817 -12.389 1.532 1.00 0.00 H new ATOM 0 HG23 VAL B 81 3.117 -13.158 0.088 1.00 0.00 H new ATOM 2652 N ILE B 82 3.406 -8.768 1.518 1.00 0.00 N ATOM 2653 CA ILE B 82 3.383 -8.083 2.806 1.00 0.00 C ATOM 2654 C ILE B 82 1.960 -7.671 3.164 1.00 0.00 C ATOM 2655 O ILE B 82 1.460 -8.006 4.238 1.00 0.00 O ATOM 2656 CB ILE B 82 4.291 -6.828 2.798 1.00 0.00 C ATOM 2657 CG1 ILE B 82 5.735 -7.205 2.459 1.00 0.00 C ATOM 2658 CG2 ILE B 82 4.235 -6.113 4.143 1.00 0.00 C ATOM 2659 CD1 ILE B 82 6.408 -8.066 3.507 1.00 0.00 C ATOM 0 H ILE B 82 3.992 -8.315 0.817 1.00 0.00 H new ATOM 0 HA ILE B 82 3.762 -8.781 3.552 1.00 0.00 H new ATOM 0 HB ILE B 82 3.921 -6.150 2.029 1.00 0.00 H new ATOM 0 HG12 ILE B 82 5.748 -7.734 1.506 1.00 0.00 H new ATOM 0 HG13 ILE B 82 6.316 -6.293 2.325 1.00 0.00 H new ATOM 0 HG21 ILE B 82 4.880 -5.235 4.115 1.00 0.00 H new ATOM 0 HG22 ILE B 82 3.210 -5.804 4.349 1.00 0.00 H new ATOM 0 HG23 ILE B 82 4.575 -6.788 4.928 1.00 0.00 H new ATOM 0 HD11 ILE B 82 7.428 -8.290 3.194 1.00 0.00 H new ATOM 0 HD12 ILE B 82 6.429 -7.532 4.457 1.00 0.00 H new ATOM 0 HD13 ILE B 82 5.852 -8.996 3.626 1.00 0.00 H new ATOM 2671 N ALA B 83 1.306 -6.969 2.244 1.00 0.00 N ATOM 2672 CA ALA B 83 -0.055 -6.493 2.460 1.00 0.00 C ATOM 2673 C ALA B 83 -1.011 -7.645 2.764 1.00 0.00 C ATOM 2674 O ALA B 83 -1.830 -7.558 3.680 1.00 0.00 O ATOM 2675 CB ALA B 83 -0.537 -5.716 1.244 1.00 0.00 C ATOM 0 H ALA B 83 1.699 -6.716 1.337 1.00 0.00 H new ATOM 0 HA ALA B 83 -0.044 -5.833 3.327 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -1.555 -5.365 1.416 1.00 0.00 H new ATOM 0 HB2 ALA B 83 0.118 -4.861 1.075 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -0.520 -6.364 0.368 1.00 0.00 H new ATOM 2681 N LYS B 84 -0.897 -8.729 1.998 1.00 0.00 N ATOM 2682 CA LYS B 84 -1.761 -9.896 2.183 1.00 0.00 C ATOM 2683 C LYS B 84 -1.542 -10.536 3.552 1.00 0.00 C ATOM 2684 O LYS B 84 -2.495 -10.970 4.196 1.00 0.00 O ATOM 2685 CB LYS B 84 -1.537 -10.932 1.074 1.00 0.00 C ATOM 2686 CG LYS B 84 -2.504 -10.811 -0.093 1.00 0.00 C ATOM 2687 CD LYS B 84 -2.417 -9.454 -0.763 1.00 0.00 C ATOM 2688 CE LYS B 84 -3.272 -9.401 -2.010 1.00 0.00 C ATOM 2689 NZ LYS B 84 -4.715 -9.517 -1.683 1.00 0.00 N ATOM 0 H LYS B 84 -0.216 -8.824 1.244 1.00 0.00 H new ATOM 0 HA LYS B 84 -2.792 -9.548 2.128 1.00 0.00 H new ATOM 0 HB2 LYS B 84 -0.518 -10.833 0.699 1.00 0.00 H new ATOM 0 HB3 LYS B 84 -1.624 -11.931 1.502 1.00 0.00 H new ATOM 0 HG2 LYS B 84 -2.290 -11.591 -0.824 1.00 0.00 H new ATOM 0 HG3 LYS B 84 -3.522 -10.976 0.261 1.00 0.00 H new ATOM 0 HD2 LYS B 84 -2.739 -8.680 -0.066 1.00 0.00 H new ATOM 0 HD3 LYS B 84 -1.380 -9.239 -1.021 1.00 0.00 H new ATOM 0 HE2 LYS B 84 -3.091 -8.464 -2.537 1.00 0.00 H new ATOM 0 HE3 LYS B 84 -2.984 -10.207 -2.685 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 -5.281 -9.132 -2.466 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 -4.959 -10.518 -1.539 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 -4.918 -8.983 -0.814 1.00 0.00 H new ATOM 2703 N GLN B 85 -0.293 -10.582 3.995 1.00 0.00 N ATOM 2704 CA GLN B 85 0.029 -11.128 5.302 1.00 0.00 C ATOM 2705 C GLN B 85 -0.621 -10.300 6.409 1.00 0.00 C ATOM 2706 O GLN B 85 -1.154 -10.846 7.377 1.00 0.00 O ATOM 2707 CB GLN B 85 1.542 -11.153 5.491 1.00 0.00 C ATOM 2708 CG GLN B 85 2.251 -12.180 4.623 1.00 0.00 C ATOM 2709 CD GLN B 85 3.758 -12.111 4.756 1.00 0.00 C ATOM 2710 OE1 GLN B 85 4.385 -11.295 3.925 1.00 0.00 O flip ATOM 2711 NE2 GLN B 85 4.352 -12.781 5.597 1.00 0.00 N flip ATOM 0 H GLN B 85 0.513 -10.247 3.467 1.00 0.00 H new ATOM 0 HA GLN B 85 -0.360 -12.145 5.360 1.00 0.00 H new ATOM 0 HB2 GLN B 85 1.943 -10.164 5.269 1.00 0.00 H new ATOM 0 HB3 GLN B 85 1.765 -11.360 6.538 1.00 0.00 H new ATOM 0 HG2 GLN B 85 1.911 -13.179 4.896 1.00 0.00 H new ATOM 0 HG3 GLN B 85 1.974 -12.023 3.581 1.00 0.00 H new ATOM 0 HE21 GLN B 85 3.830 -13.398 6.219 1.00 0.00 H new ATOM 0 HE22 GLN B 85 5.367 -12.720 5.673 1.00 0.00 H new ATOM 2720 N ILE B 86 -0.583 -8.984 6.241 1.00 0.00 N ATOM 2721 CA ILE B 86 -1.147 -8.056 7.216 1.00 0.00 C ATOM 2722 C ILE B 86 -2.670 -8.160 7.269 1.00 0.00 C ATOM 2723 O ILE B 86 -3.259 -8.236 8.349 1.00 0.00 O ATOM 2724 CB ILE B 86 -0.744 -6.596 6.896 1.00 0.00 C ATOM 2725 CG1 ILE B 86 0.782 -6.466 6.882 1.00 0.00 C ATOM 2726 CG2 ILE B 86 -1.356 -5.636 7.908 1.00 0.00 C ATOM 2727 CD1 ILE B 86 1.275 -5.104 6.448 1.00 0.00 C ATOM 0 H ILE B 86 -0.163 -8.531 5.430 1.00 0.00 H new ATOM 0 HA ILE B 86 -0.741 -8.333 8.189 1.00 0.00 H new ATOM 0 HB ILE B 86 -1.127 -6.335 5.909 1.00 0.00 H new ATOM 0 HG12 ILE B 86 1.165 -6.679 7.880 1.00 0.00 H new ATOM 0 HG13 ILE B 86 1.195 -7.222 6.214 1.00 0.00 H new ATOM 0 HG21 ILE B 86 -1.061 -4.615 7.666 1.00 0.00 H new ATOM 0 HG22 ILE B 86 -2.442 -5.717 7.875 1.00 0.00 H new ATOM 0 HG23 ILE B 86 -1.003 -5.888 8.908 1.00 0.00 H new ATOM 0 HD11 ILE B 86 2.365 -5.090 6.464 1.00 0.00 H new ATOM 0 HD12 ILE B 86 0.924 -4.895 5.438 1.00 0.00 H new ATOM 0 HD13 ILE B 86 0.892 -4.344 7.130 1.00 0.00 H new ATOM 2739 N LEU B 87 -3.307 -8.179 6.102 1.00 0.00 N ATOM 2740 CA LEU B 87 -4.763 -8.227 6.044 1.00 0.00 C ATOM 2741 C LEU B 87 -5.288 -9.597 6.473 1.00 0.00 C ATOM 2742 O LEU B 87 -6.441 -9.721 6.878 1.00 0.00 O ATOM 2743 CB LEU B 87 -5.273 -7.838 4.643 1.00 0.00 C ATOM 2744 CG LEU B 87 -4.825 -8.720 3.467 1.00 0.00 C ATOM 2745 CD1 LEU B 87 -5.685 -9.970 3.352 1.00 0.00 C ATOM 2746 CD2 LEU B 87 -4.870 -7.932 2.168 1.00 0.00 C ATOM 0 H LEU B 87 -2.844 -8.162 5.193 1.00 0.00 H new ATOM 0 HA LEU B 87 -5.152 -7.494 6.751 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -6.363 -7.835 4.668 1.00 0.00 H new ATOM 0 HB3 LEU B 87 -4.956 -6.815 4.439 1.00 0.00 H new ATOM 0 HG LEU B 87 -3.799 -9.034 3.658 1.00 0.00 H new ATOM 0 HD11 LEU B 87 -5.342 -10.572 2.510 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -5.606 -10.552 4.270 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -6.724 -9.683 3.193 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -4.550 -8.570 1.344 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -5.888 -7.588 1.986 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -4.204 -7.072 2.241 1.00 0.00 H new ATOM 2758 N SER B 88 -4.437 -10.612 6.402 1.00 0.00 N ATOM 2759 CA SER B 88 -4.816 -11.950 6.821 1.00 0.00 C ATOM 2760 C SER B 88 -4.633 -12.096 8.332 1.00 0.00 C ATOM 2761 O SER B 88 -5.613 -12.110 9.079 1.00 0.00 O ATOM 2762 CB SER B 88 -3.984 -12.999 6.074 1.00 0.00 C ATOM 2763 OG SER B 88 -4.531 -14.301 6.221 1.00 0.00 O ATOM 0 H SER B 88 -3.480 -10.532 6.058 1.00 0.00 H new ATOM 0 HA SER B 88 -5.867 -12.111 6.579 1.00 0.00 H new ATOM 0 HB2 SER B 88 -3.937 -12.741 5.016 1.00 0.00 H new ATOM 0 HB3 SER B 88 -2.961 -12.989 6.451 1.00 0.00 H new ATOM 0 HG SER B 88 -3.978 -14.945 5.732 1.00 0.00 H new ATOM 2769 N SER B 89 -3.369 -12.156 8.767 1.00 0.00 N ATOM 2770 CA SER B 89 -3.011 -12.289 10.183 1.00 0.00 C ATOM 2771 C SER B 89 -3.823 -13.390 10.879 1.00 0.00 C ATOM 2772 O SER B 89 -4.886 -13.138 11.458 1.00 0.00 O ATOM 2773 CB SER B 89 -3.185 -10.944 10.903 1.00 0.00 C ATOM 2774 OG SER B 89 -2.706 -11.001 12.235 1.00 0.00 O ATOM 0 H SER B 89 -2.563 -12.113 8.144 1.00 0.00 H new ATOM 0 HA SER B 89 -1.963 -12.584 10.234 1.00 0.00 H new ATOM 0 HB2 SER B 89 -2.651 -10.166 10.357 1.00 0.00 H new ATOM 0 HB3 SER B 89 -4.239 -10.666 10.906 1.00 0.00 H new ATOM 0 HG SER B 89 -1.751 -11.220 12.230 1.00 0.00 H new