USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 990 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 TYR OH : rot 54:sc= 0.0445 USER MOD Set 1.2: B 89 SER OG : rot -36:sc= 0.576 USER MOD Set 2.1: A 56 CYS SG : rot 106:sc= 1.09 USER MOD Set 2.2: A 59 CYS SG : rot 180:sc= 1.28 USER MOD Set 2.3: A 74 HIS :FLIP no HE2:sc= 0.126 F(o=-1.3,f=0.16) USER MOD Set 2.4: A 78 CYS SG : rot -164:sc= -2.33 USER MOD Set 3.1: A 53 HIS : no HD1:sc= 1.13 K(o=2.4,f=-5.7!) USER MOD Set 3.2: A 62 SER OG : rot 131:sc= 1.28 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 MET CE :methyl -175:sc= 0 (180deg=-0.0195) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0422 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 32 LYS NZ :NH3+ 179:sc= 1.18 (180deg=1.15) USER MOD Single : A 35 THR OG1 : rot 80:sc= 0.507 USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= -0.0414 (180deg=-0.33) USER MOD Single : A 40 THR OG1 : rot 61:sc= -0.0397 USER MOD Single : A 54 ASN : amide:sc= -2.01! C(o=-2!,f=-6.7!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= 2.48 (180deg=2.31) 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 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0112 USER MOD Single : A 89 SER OG : rot -7:sc= 0.105! USER MOD Single : B 18 TYR OH : rot -117:sc= 0.0628 USER MOD Single : B 20 GLN : amide:sc= -0.673 K(o=-0.67,f=-4.8!) USER MOD Single : B 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.452 USER MOD Single : B 25 THR OG1 : rot -9:sc= 0.424 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 THR OG1 : rot 64:sc= 1.2 USER MOD Single : B 39 LYS NZ :NH3+ -163:sc= -0.06 (180deg=-0.347) USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 SER OG : rot 180:sc= -0.0437 USER MOD Single : B 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 54 ASN : amide:sc= -1.3 K(o=-1.3,f=-3.1!) USER MOD Single : B 55 GLN :FLIP amide:sc= -0.0189 F(o=-1.2!,f=-0.019) USER MOD Single : B 56 CYS SG : rot 59:sc= 0.405 USER MOD Single : B 57 LYS NZ :NH3+ 164:sc= 0.353 (180deg=-0.564!) USER MOD Single : B 59 CYS SG : rot -46:sc= -0.178 USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 67 GLN :FLIP amide:sc= -0.0291 F(o=-1.4!,f=-0.029) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 74 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 78 CYS SG : rot 134:sc= -2.98! USER MOD Single : B 84 LYS NZ :NH3+ 151:sc= -0.237 (180deg=-1.38!) USER MOD Single : B 85 GLN :FLIP amide:sc= -0.0224 F(o=-1.2!,f=-0.022) USER MOD Single : B 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N LEU A 17 8.437 -5.672 14.478 1.00 0.00 N ATOM 240 CA LEU A 17 7.741 -5.939 15.731 1.00 0.00 C ATOM 241 C LEU A 17 6.236 -6.023 15.497 1.00 0.00 C ATOM 242 O LEU A 17 5.451 -5.967 16.447 1.00 0.00 O ATOM 243 CB LEU A 17 8.030 -4.859 16.784 1.00 0.00 C ATOM 244 CG LEU A 17 9.486 -4.738 17.246 1.00 0.00 C ATOM 245 CD1 LEU A 17 10.304 -3.931 16.254 1.00 0.00 C ATOM 246 CD2 LEU A 17 9.555 -4.105 18.627 1.00 0.00 C ATOM 0 HA LEU A 17 8.110 -6.893 16.107 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.717 -3.896 16.382 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.409 -5.057 17.657 1.00 0.00 H new ATOM 0 HG LEU A 17 9.909 -5.741 17.300 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.334 -3.859 16.604 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.285 -4.423 15.281 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.881 -2.930 16.163 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.596 -4.027 18.940 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.110 -3.110 18.594 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.008 -4.724 19.339 1.00 0.00 H new ATOM 258 N TYR A 18 5.849 -6.174 14.225 1.00 0.00 N ATOM 259 CA TYR A 18 4.442 -6.169 13.817 1.00 0.00 C ATOM 260 C TYR A 18 3.816 -4.791 14.082 1.00 0.00 C ATOM 261 O TYR A 18 4.433 -3.924 14.703 1.00 0.00 O ATOM 262 CB TYR A 18 3.686 -7.305 14.537 1.00 0.00 C ATOM 263 CG TYR A 18 2.219 -7.444 14.177 1.00 0.00 C ATOM 264 CD1 TYR A 18 1.817 -7.744 12.879 1.00 0.00 C ATOM 265 CD2 TYR A 18 1.236 -7.282 15.145 1.00 0.00 C ATOM 266 CE1 TYR A 18 0.477 -7.879 12.559 1.00 0.00 C ATOM 267 CE2 TYR A 18 -0.103 -7.417 14.832 1.00 0.00 C ATOM 268 CZ TYR A 18 -0.478 -7.712 13.539 1.00 0.00 C ATOM 269 OH TYR A 18 -1.813 -7.845 13.227 1.00 0.00 O ATOM 0 H TYR A 18 6.502 -6.303 13.452 1.00 0.00 H new ATOM 0 HA TYR A 18 4.368 -6.353 12.745 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.187 -8.248 14.317 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.765 -7.146 15.612 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.563 -7.874 12.109 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.523 -7.047 16.159 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.181 -8.114 11.547 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.854 -7.292 15.598 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.962 -8.709 12.788 1.00 0.00 H new ATOM 279 N PHE A 19 2.595 -4.581 13.605 1.00 0.00 N ATOM 280 CA PHE A 19 1.927 -3.288 13.743 1.00 0.00 C ATOM 281 C PHE A 19 1.348 -3.088 15.141 1.00 0.00 C ATOM 282 O PHE A 19 0.376 -2.361 15.324 1.00 0.00 O ATOM 283 CB PHE A 19 0.827 -3.148 12.690 1.00 0.00 C ATOM 284 CG PHE A 19 1.362 -2.949 11.302 1.00 0.00 C ATOM 285 CD1 PHE A 19 1.608 -1.674 10.823 1.00 0.00 C ATOM 286 CD2 PHE A 19 1.625 -4.034 10.483 1.00 0.00 C ATOM 287 CE1 PHE A 19 2.108 -1.483 9.551 1.00 0.00 C ATOM 288 CE2 PHE A 19 2.124 -3.849 9.208 1.00 0.00 C ATOM 289 CZ PHE A 19 2.367 -2.571 8.742 1.00 0.00 C ATOM 0 H PHE A 19 2.045 -5.289 13.118 1.00 0.00 H new ATOM 0 HA PHE A 19 2.678 -2.513 13.587 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.201 -4.040 12.707 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.188 -2.304 12.951 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.406 -0.819 11.452 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.438 -5.034 10.844 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.296 -0.483 9.189 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.324 -4.702 8.576 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.759 -2.424 7.746 1.00 0.00 H new ATOM 299 N GLN A 20 1.958 -3.724 16.127 1.00 0.00 N ATOM 300 CA GLN A 20 1.578 -3.521 17.513 1.00 0.00 C ATOM 301 C GLN A 20 2.792 -3.016 18.284 1.00 0.00 C ATOM 302 O GLN A 20 2.809 -2.987 19.512 1.00 0.00 O ATOM 303 CB GLN A 20 1.046 -4.822 18.118 1.00 0.00 C ATOM 304 CG GLN A 20 0.155 -4.607 19.331 1.00 0.00 C ATOM 305 CD GLN A 20 -0.415 -5.903 19.877 1.00 0.00 C ATOM 306 OE1 GLN A 20 0.172 -6.531 20.757 1.00 0.00 O ATOM 307 NE2 GLN A 20 -1.560 -6.311 19.355 1.00 0.00 N ATOM 0 H GLN A 20 2.721 -4.387 15.992 1.00 0.00 H new ATOM 0 HA GLN A 20 0.780 -2.781 17.573 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.485 -5.365 17.357 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.889 -5.452 18.403 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.728 -4.109 20.113 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.664 -3.940 19.061 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.014 -5.760 18.627 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.989 -7.177 19.681 1.00 0.00 H new ATOM 316 N GLY A 21 3.812 -2.624 17.531 1.00 0.00 N ATOM 317 CA GLY A 21 5.024 -2.096 18.117 1.00 0.00 C ATOM 318 C GLY A 21 5.785 -1.234 17.133 1.00 0.00 C ATOM 319 O GLY A 21 5.340 -0.139 16.798 1.00 0.00 O ATOM 0 H GLY A 21 3.818 -2.664 16.512 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.776 -1.509 19.001 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.658 -2.919 18.448 1.00 0.00 H new ATOM 323 N MET A 22 6.920 -1.748 16.660 1.00 0.00 N ATOM 324 CA MET A 22 7.770 -1.051 15.691 1.00 0.00 C ATOM 325 C MET A 22 8.430 0.174 16.297 1.00 0.00 C ATOM 326 O MET A 22 7.793 0.995 16.954 1.00 0.00 O ATOM 327 CB MET A 22 6.988 -0.644 14.437 1.00 0.00 C ATOM 328 CG MET A 22 6.518 -1.808 13.581 1.00 0.00 C ATOM 329 SD MET A 22 7.883 -2.766 12.895 1.00 0.00 S ATOM 330 CE MET A 22 7.000 -3.802 11.732 1.00 0.00 C ATOM 0 H MET A 22 7.278 -2.662 16.938 1.00 0.00 H new ATOM 0 HA MET A 22 8.547 -1.759 15.403 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.120 -0.059 14.740 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.615 0.008 13.829 1.00 0.00 H new ATOM 0 HG2 MET A 22 5.886 -2.463 14.181 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.901 -1.428 12.767 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.690 -4.518 11.286 1.00 0.00 H new ATOM 0 HE2 MET A 22 6.206 -4.338 12.252 1.00 0.00 H new ATOM 0 HE3 MET A 22 6.565 -3.181 10.949 1.00 0.00 H new ATOM 340 N THR A 23 9.720 0.281 16.075 1.00 0.00 N ATOM 341 CA THR A 23 10.478 1.417 16.539 1.00 0.00 C ATOM 342 C THR A 23 10.201 2.636 15.652 1.00 0.00 C ATOM 343 O THR A 23 9.525 3.578 16.063 1.00 0.00 O ATOM 344 CB THR A 23 11.972 1.070 16.534 1.00 0.00 C ATOM 345 OG1 THR A 23 12.127 -0.351 16.704 1.00 0.00 O ATOM 346 CG2 THR A 23 12.682 1.784 17.664 1.00 0.00 C ATOM 0 H THR A 23 10.270 -0.414 15.570 1.00 0.00 H new ATOM 0 HA THR A 23 10.176 1.663 17.557 1.00 0.00 H new ATOM 0 HB THR A 23 12.406 1.386 15.585 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.080 -0.579 16.700 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.741 1.528 17.648 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.567 2.861 17.543 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.249 1.478 18.617 1.00 0.00 H new ATOM 354 N ASP A 24 10.722 2.599 14.434 1.00 0.00 N ATOM 355 CA ASP A 24 10.417 3.610 13.421 1.00 0.00 C ATOM 356 C ASP A 24 10.250 2.923 12.069 1.00 0.00 C ATOM 357 O ASP A 24 9.744 3.499 11.106 1.00 0.00 O ATOM 358 CB ASP A 24 11.542 4.657 13.362 1.00 0.00 C ATOM 359 CG ASP A 24 11.262 5.790 12.388 1.00 0.00 C ATOM 360 OD1 ASP A 24 10.611 6.782 12.785 1.00 0.00 O ATOM 361 OD2 ASP A 24 11.717 5.707 11.229 1.00 0.00 O ATOM 0 H ASP A 24 11.365 1.873 14.117 1.00 0.00 H new ATOM 0 HA ASP A 24 9.491 4.123 13.680 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.693 5.073 14.358 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.472 4.165 13.077 1.00 0.00 H new ATOM 366 N THR A 25 10.621 1.645 12.046 1.00 0.00 N ATOM 367 CA THR A 25 10.670 0.843 10.834 1.00 0.00 C ATOM 368 C THR A 25 9.292 0.660 10.189 1.00 0.00 C ATOM 369 O THR A 25 9.192 0.208 9.047 1.00 0.00 O ATOM 370 CB THR A 25 11.246 -0.536 11.168 1.00 0.00 C ATOM 371 OG1 THR A 25 12.012 -0.439 12.381 1.00 0.00 O ATOM 372 CG2 THR A 25 12.129 -1.051 10.039 1.00 0.00 C ATOM 0 H THR A 25 10.899 1.133 12.883 1.00 0.00 H new ATOM 0 HA THR A 25 11.300 1.373 10.120 1.00 0.00 H new ATOM 0 HB THR A 25 10.424 -1.239 11.297 1.00 0.00 H new ATOM 0 HG1 THR A 25 12.384 -1.318 12.604 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.524 -2.032 10.304 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.541 -1.132 9.125 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.955 -0.358 9.879 1.00 0.00 H new ATOM 380 N ALA A 26 8.237 1.007 10.925 1.00 0.00 N ATOM 381 CA ALA A 26 6.871 0.876 10.427 1.00 0.00 C ATOM 382 C ALA A 26 6.677 1.708 9.169 1.00 0.00 C ATOM 383 O ALA A 26 6.086 1.253 8.193 1.00 0.00 O ATOM 384 CB ALA A 26 5.876 1.298 11.496 1.00 0.00 C ATOM 0 H ALA A 26 8.304 1.382 11.871 1.00 0.00 H new ATOM 0 HA ALA A 26 6.695 -0.171 10.179 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.862 1.195 11.110 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.996 0.665 12.375 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.056 2.337 11.770 1.00 0.00 H new ATOM 390 N ALA A 27 7.202 2.922 9.193 1.00 0.00 N ATOM 391 CA ALA A 27 7.092 3.820 8.054 1.00 0.00 C ATOM 392 C ALA A 27 8.055 3.404 6.955 1.00 0.00 C ATOM 393 O ALA A 27 7.803 3.633 5.780 1.00 0.00 O ATOM 394 CB ALA A 27 7.355 5.254 8.481 1.00 0.00 C ATOM 0 H ALA A 27 7.709 3.309 9.989 1.00 0.00 H new ATOM 0 HA ALA A 27 6.077 3.759 7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.269 5.913 7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.626 5.548 9.236 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.359 5.331 8.897 1.00 0.00 H new ATOM 400 N GLU A 28 9.150 2.775 7.360 1.00 0.00 N ATOM 401 CA GLU A 28 10.229 2.415 6.453 1.00 0.00 C ATOM 402 C GLU A 28 9.792 1.390 5.404 1.00 0.00 C ATOM 403 O GLU A 28 10.027 1.582 4.209 1.00 0.00 O ATOM 404 CB GLU A 28 11.400 1.857 7.261 1.00 0.00 C ATOM 405 CG GLU A 28 11.911 2.812 8.328 1.00 0.00 C ATOM 406 CD GLU A 28 12.687 3.977 7.756 1.00 0.00 C ATOM 407 OE1 GLU A 28 12.066 4.918 7.214 1.00 0.00 O ATOM 408 OE2 GLU A 28 13.931 3.952 7.833 1.00 0.00 O ATOM 0 H GLU A 28 9.314 2.500 8.328 1.00 0.00 H new ATOM 0 HA GLU A 28 10.528 3.317 5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.092 0.925 7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.217 1.614 6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.066 3.192 8.902 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.548 2.265 9.023 1.00 0.00 H new ATOM 415 N ASP A 29 9.165 0.306 5.848 1.00 0.00 N ATOM 416 CA ASP A 29 8.823 -0.794 4.946 1.00 0.00 C ATOM 417 C ASP A 29 7.510 -0.535 4.215 1.00 0.00 C ATOM 418 O ASP A 29 7.396 -0.805 3.022 1.00 0.00 O ATOM 419 CB ASP A 29 8.751 -2.121 5.702 1.00 0.00 C ATOM 420 CG ASP A 29 8.599 -3.292 4.752 1.00 0.00 C ATOM 421 OD1 ASP A 29 9.598 -3.653 4.086 1.00 0.00 O ATOM 422 OD2 ASP A 29 7.489 -3.846 4.653 1.00 0.00 O ATOM 0 H ASP A 29 8.884 0.163 6.818 1.00 0.00 H new ATOM 0 HA ASP A 29 9.617 -0.857 4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.653 -2.250 6.300 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.910 -2.101 6.395 1.00 0.00 H new ATOM 427 N VAL A 30 6.526 0.013 4.914 1.00 0.00 N ATOM 428 CA VAL A 30 5.240 0.306 4.288 1.00 0.00 C ATOM 429 C VAL A 30 5.406 1.372 3.201 1.00 0.00 C ATOM 430 O VAL A 30 4.690 1.372 2.201 1.00 0.00 O ATOM 431 CB VAL A 30 4.183 0.756 5.321 1.00 0.00 C ATOM 432 CG1 VAL A 30 2.836 1.012 4.650 1.00 0.00 C ATOM 433 CG2 VAL A 30 4.042 -0.297 6.418 1.00 0.00 C ATOM 0 H VAL A 30 6.589 0.262 5.901 1.00 0.00 H new ATOM 0 HA VAL A 30 4.882 -0.617 3.833 1.00 0.00 H new ATOM 0 HB VAL A 30 4.517 1.691 5.770 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.110 1.327 5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.946 1.795 3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.488 0.097 4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.295 0.029 7.141 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.730 -1.243 5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.000 -0.429 6.921 1.00 0.00 H new ATOM 443 N ARG A 31 6.378 2.264 3.396 1.00 0.00 N ATOM 444 CA ARG A 31 6.735 3.260 2.386 1.00 0.00 C ATOM 445 C ARG A 31 7.102 2.577 1.072 1.00 0.00 C ATOM 446 O ARG A 31 6.785 3.069 -0.008 1.00 0.00 O ATOM 447 CB ARG A 31 7.913 4.106 2.877 1.00 0.00 C ATOM 448 CG ARG A 31 8.436 5.101 1.856 1.00 0.00 C ATOM 449 CD ARG A 31 9.567 5.939 2.431 1.00 0.00 C ATOM 450 NE ARG A 31 10.739 5.129 2.772 1.00 0.00 N ATOM 451 CZ ARG A 31 11.248 5.037 4.003 1.00 0.00 C ATOM 452 NH1 ARG A 31 10.657 5.643 5.024 1.00 0.00 N ATOM 453 NH2 ARG A 31 12.346 4.322 4.214 1.00 0.00 N ATOM 0 H ARG A 31 6.935 2.317 4.249 1.00 0.00 H new ATOM 0 HA ARG A 31 5.874 3.907 2.218 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.608 4.648 3.772 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.726 3.441 3.169 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.788 4.568 0.973 1.00 0.00 H new ATOM 0 HG3 ARG A 31 7.625 5.754 1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.854 6.703 1.709 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.215 6.458 3.322 1.00 0.00 H new ATOM 0 HE ARG A 31 11.193 4.604 2.025 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.806 6.185 4.872 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.053 5.567 5.961 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.800 3.843 3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.736 4.251 5.154 1.00 0.00 H new ATOM 467 N LYS A 32 7.755 1.431 1.188 1.00 0.00 N ATOM 468 CA LYS A 32 8.178 0.643 0.038 1.00 0.00 C ATOM 469 C LYS A 32 6.969 0.206 -0.787 1.00 0.00 C ATOM 470 O LYS A 32 6.957 0.331 -2.011 1.00 0.00 O ATOM 471 CB LYS A 32 8.953 -0.572 0.547 1.00 0.00 C ATOM 472 CG LYS A 32 9.470 -1.518 -0.522 1.00 0.00 C ATOM 473 CD LYS A 32 10.005 -2.791 0.118 1.00 0.00 C ATOM 474 CE LYS A 32 11.092 -2.483 1.137 1.00 0.00 C ATOM 475 NZ LYS A 32 11.297 -3.598 2.099 1.00 0.00 N ATOM 0 H LYS A 32 8.008 1.019 2.086 1.00 0.00 H new ATOM 0 HA LYS A 32 8.817 1.244 -0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.800 -0.219 1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.308 -1.134 1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.669 -1.762 -1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.258 -1.032 -1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.189 -3.327 0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.403 -3.449 -0.654 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.028 -2.279 0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.828 -1.578 1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.058 -3.349 2.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.418 -3.766 2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.559 -4.460 1.580 1.00 0.00 H new ATOM 489 N ILE A 33 5.945 -0.281 -0.100 1.00 0.00 N ATOM 490 CA ILE A 33 4.726 -0.733 -0.759 1.00 0.00 C ATOM 491 C ILE A 33 3.913 0.465 -1.249 1.00 0.00 C ATOM 492 O ILE A 33 3.378 0.460 -2.359 1.00 0.00 O ATOM 493 CB ILE A 33 3.852 -1.579 0.197 1.00 0.00 C ATOM 494 CG1 ILE A 33 4.718 -2.580 0.966 1.00 0.00 C ATOM 495 CG2 ILE A 33 2.761 -2.313 -0.579 1.00 0.00 C ATOM 496 CD1 ILE A 33 3.972 -3.310 2.062 1.00 0.00 C ATOM 0 H ILE A 33 5.934 -0.374 0.916 1.00 0.00 H new ATOM 0 HA ILE A 33 5.021 -1.352 -1.607 1.00 0.00 H new ATOM 0 HB ILE A 33 3.376 -0.907 0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.124 -3.310 0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.566 -2.053 1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.157 -2.902 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.126 -1.588 -1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.220 -2.974 -1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.648 -4.002 2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.589 -2.589 2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.140 -3.865 1.628 1.00 0.00 H new ATOM 508 N ALA A 34 3.846 1.498 -0.412 1.00 0.00 N ATOM 509 CA ALA A 34 3.056 2.692 -0.703 1.00 0.00 C ATOM 510 C ALA A 34 3.583 3.439 -1.926 1.00 0.00 C ATOM 511 O ALA A 34 2.806 3.861 -2.784 1.00 0.00 O ATOM 512 CB ALA A 34 3.029 3.612 0.507 1.00 0.00 C ATOM 0 H ALA A 34 4.335 1.531 0.482 1.00 0.00 H new ATOM 0 HA ALA A 34 2.040 2.368 -0.930 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.437 4.498 0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.584 3.088 1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.046 3.911 0.760 1.00 0.00 H new ATOM 518 N THR A 35 4.900 3.594 -2.013 1.00 0.00 N ATOM 519 CA THR A 35 5.510 4.309 -3.128 1.00 0.00 C ATOM 520 C THR A 35 5.226 3.589 -4.446 1.00 0.00 C ATOM 521 O THR A 35 5.084 4.220 -5.498 1.00 0.00 O ATOM 522 CB THR A 35 7.036 4.456 -2.934 1.00 0.00 C ATOM 523 OG1 THR A 35 7.310 5.058 -1.663 1.00 0.00 O ATOM 524 CG2 THR A 35 7.652 5.309 -4.033 1.00 0.00 C ATOM 0 H THR A 35 5.564 3.235 -1.327 1.00 0.00 H new ATOM 0 HA THR A 35 5.069 5.305 -3.160 1.00 0.00 H new ATOM 0 HB THR A 35 7.476 3.460 -2.978 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.240 4.381 -0.958 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.726 5.394 -3.869 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.469 4.843 -5.001 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.203 6.302 -4.018 1.00 0.00 H new ATOM 532 N ALA A 36 5.119 2.268 -4.370 1.00 0.00 N ATOM 533 CA ALA A 36 4.826 1.454 -5.536 1.00 0.00 C ATOM 534 C ALA A 36 3.375 1.624 -5.972 1.00 0.00 C ATOM 535 O ALA A 36 3.105 1.936 -7.129 1.00 0.00 O ATOM 536 CB ALA A 36 5.129 -0.008 -5.246 1.00 0.00 C ATOM 0 H ALA A 36 5.232 1.738 -3.506 1.00 0.00 H new ATOM 0 HA ALA A 36 5.463 1.788 -6.355 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.905 -0.608 -6.128 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.183 -0.117 -4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.516 -0.348 -4.411 1.00 0.00 H new ATOM 542 N LEU A 37 2.448 1.454 -5.035 1.00 0.00 N ATOM 543 CA LEU A 37 1.021 1.491 -5.346 1.00 0.00 C ATOM 544 C LEU A 37 0.586 2.868 -5.849 1.00 0.00 C ATOM 545 O LEU A 37 -0.409 2.989 -6.560 1.00 0.00 O ATOM 546 CB LEU A 37 0.194 1.062 -4.120 1.00 0.00 C ATOM 547 CG LEU A 37 0.363 1.902 -2.848 1.00 0.00 C ATOM 548 CD1 LEU A 37 -0.546 3.126 -2.868 1.00 0.00 C ATOM 549 CD2 LEU A 37 0.081 1.055 -1.617 1.00 0.00 C ATOM 0 H LEU A 37 2.659 1.289 -4.051 1.00 0.00 H new ATOM 0 HA LEU A 37 0.837 0.783 -6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.860 1.075 -4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.448 0.029 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 37 1.395 2.251 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.403 3.701 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.300 3.748 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.586 2.806 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.204 1.663 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.941 0.677 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.777 0.216 -1.585 1.00 0.00 H new ATOM 561 N LEU A 38 1.331 3.903 -5.481 1.00 0.00 N ATOM 562 CA LEU A 38 1.019 5.254 -5.931 1.00 0.00 C ATOM 563 C LEU A 38 1.163 5.366 -7.447 1.00 0.00 C ATOM 564 O LEU A 38 0.392 6.065 -8.108 1.00 0.00 O ATOM 565 CB LEU A 38 1.929 6.271 -5.234 1.00 0.00 C ATOM 566 CG LEU A 38 1.601 7.742 -5.511 1.00 0.00 C ATOM 567 CD1 LEU A 38 0.221 8.096 -4.971 1.00 0.00 C ATOM 568 CD2 LEU A 38 2.663 8.652 -4.908 1.00 0.00 C ATOM 0 H LEU A 38 2.150 3.834 -4.877 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.016 5.472 -5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.879 6.101 -4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.958 6.082 -5.539 1.00 0.00 H new ATOM 0 HG LEU A 38 1.595 7.893 -6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.007 9.145 -5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.530 7.471 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.197 7.926 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.412 9.692 -5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.705 8.497 -3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.633 8.419 -5.346 1.00 0.00 H new ATOM 580 N LYS A 39 2.172 4.697 -7.987 1.00 0.00 N ATOM 581 CA LYS A 39 2.403 4.679 -9.418 1.00 0.00 C ATOM 582 C LYS A 39 1.752 3.468 -10.082 1.00 0.00 C ATOM 583 O LYS A 39 0.941 3.604 -10.998 1.00 0.00 O ATOM 584 CB LYS A 39 3.901 4.684 -9.697 1.00 0.00 C ATOM 585 CG LYS A 39 4.585 5.993 -9.330 1.00 0.00 C ATOM 586 CD LYS A 39 4.066 7.151 -10.173 1.00 0.00 C ATOM 587 CE LYS A 39 4.613 8.490 -9.699 1.00 0.00 C ATOM 588 NZ LYS A 39 4.156 8.817 -8.323 1.00 0.00 N ATOM 0 H LYS A 39 2.847 4.156 -7.447 1.00 0.00 H new ATOM 0 HA LYS A 39 1.946 5.573 -9.842 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.368 3.871 -9.141 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.066 4.482 -10.755 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.419 6.208 -8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.661 5.894 -9.470 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.344 6.994 -11.215 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.977 7.169 -10.133 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.702 8.467 -9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.295 9.276 -10.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.313 9.828 -8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.143 8.601 -8.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.693 8.251 -7.635 1.00 0.00 H new ATOM 602 N THR A 40 2.098 2.282 -9.604 1.00 0.00 N ATOM 603 CA THR A 40 1.723 1.048 -10.279 1.00 0.00 C ATOM 604 C THR A 40 0.496 0.382 -9.658 1.00 0.00 C ATOM 605 O THR A 40 0.510 -0.808 -9.342 1.00 0.00 O ATOM 606 CB THR A 40 2.897 0.053 -10.302 1.00 0.00 C ATOM 607 OG1 THR A 40 3.525 -0.002 -9.018 1.00 0.00 O ATOM 608 CG2 THR A 40 3.924 0.445 -11.353 1.00 0.00 C ATOM 0 H THR A 40 2.639 2.148 -8.750 1.00 0.00 H new ATOM 0 HA THR A 40 1.463 1.328 -11.300 1.00 0.00 H new ATOM 0 HB THR A 40 2.498 -0.930 -10.553 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.877 -0.309 -8.350 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.743 -0.275 -11.348 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.454 0.453 -12.336 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.313 1.438 -11.129 1.00 0.00 H new ATOM 616 N ALA A 41 -0.559 1.158 -9.487 1.00 0.00 N ATOM 617 CA ALA A 41 -1.863 0.617 -9.123 1.00 0.00 C ATOM 618 C ALA A 41 -2.951 1.349 -9.898 1.00 0.00 C ATOM 619 O ALA A 41 -4.147 1.158 -9.670 1.00 0.00 O ATOM 620 CB ALA A 41 -2.100 0.725 -7.625 1.00 0.00 C ATOM 0 H ALA A 41 -0.541 2.172 -9.594 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.891 -0.441 -9.383 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.080 0.314 -7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.330 0.166 -7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.061 1.772 -7.325 1.00 0.00 H new ATOM 626 N ILE A 42 -2.509 2.184 -10.829 1.00 0.00 N ATOM 627 CA ILE A 42 -3.405 3.002 -11.627 1.00 0.00 C ATOM 628 C ILE A 42 -3.318 2.596 -13.098 1.00 0.00 C ATOM 629 O ILE A 42 -2.227 2.368 -13.627 1.00 0.00 O ATOM 630 CB ILE A 42 -3.073 4.514 -11.480 1.00 0.00 C ATOM 631 CG1 ILE A 42 -3.467 5.048 -10.089 1.00 0.00 C ATOM 632 CG2 ILE A 42 -3.759 5.326 -12.568 1.00 0.00 C ATOM 633 CD1 ILE A 42 -2.515 4.654 -8.975 1.00 0.00 C ATOM 0 H ILE A 42 -1.521 2.311 -11.050 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.419 2.838 -11.263 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.994 4.622 -11.589 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.525 6.136 -10.134 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.465 4.685 -9.843 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.512 6.381 -12.445 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.418 4.985 -13.546 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.839 5.195 -12.494 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.867 5.071 -8.031 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.474 3.567 -8.899 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.519 5.040 -9.194 1.00 0.00 H new ATOM 645 N GLU A 43 -4.468 2.503 -13.750 1.00 0.00 N ATOM 646 CA GLU A 43 -4.527 2.145 -15.158 1.00 0.00 C ATOM 647 C GLU A 43 -4.813 3.380 -16.004 1.00 0.00 C ATOM 648 O GLU A 43 -5.556 4.272 -15.587 1.00 0.00 O ATOM 649 CB GLU A 43 -5.610 1.085 -15.397 1.00 0.00 C ATOM 650 CG GLU A 43 -6.968 1.472 -14.840 1.00 0.00 C ATOM 651 CD GLU A 43 -8.072 0.513 -15.243 1.00 0.00 C ATOM 652 OE1 GLU A 43 -7.888 -0.714 -15.120 1.00 0.00 O ATOM 653 OE2 GLU A 43 -9.150 0.987 -15.659 1.00 0.00 O ATOM 0 H GLU A 43 -5.378 2.672 -13.322 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.562 1.731 -15.449 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.703 0.907 -16.468 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.294 0.145 -14.944 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.910 1.513 -13.752 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.223 2.475 -15.183 1.00 0.00 H new ATOM 660 N ILE A 44 -4.201 3.442 -17.174 1.00 0.00 N ATOM 661 CA ILE A 44 -4.459 4.517 -18.105 1.00 0.00 C ATOM 662 C ILE A 44 -5.380 4.035 -19.217 1.00 0.00 C ATOM 663 O ILE A 44 -5.011 3.177 -20.021 1.00 0.00 O ATOM 664 CB ILE A 44 -3.158 5.079 -18.716 1.00 0.00 C ATOM 665 CG1 ILE A 44 -2.251 3.955 -19.233 1.00 0.00 C ATOM 666 CG2 ILE A 44 -2.424 5.941 -17.702 1.00 0.00 C ATOM 667 CD1 ILE A 44 -1.048 4.453 -20.007 1.00 0.00 C ATOM 0 H ILE A 44 -3.520 2.756 -17.499 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.940 5.321 -17.548 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.430 5.701 -19.569 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.907 3.359 -18.387 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.835 3.293 -19.872 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.509 6.329 -18.149 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.062 6.772 -17.401 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.174 5.341 -16.827 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.453 3.603 -20.341 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.383 5.024 -20.873 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.441 5.091 -19.365 1.00 0.00 H new ATOM 679 N VAL A 45 -6.587 4.566 -19.242 1.00 0.00 N ATOM 680 CA VAL A 45 -7.546 4.198 -20.266 1.00 0.00 C ATOM 681 C VAL A 45 -7.572 5.271 -21.335 1.00 0.00 C ATOM 682 O VAL A 45 -7.791 6.446 -21.039 1.00 0.00 O ATOM 683 CB VAL A 45 -8.969 4.038 -19.704 1.00 0.00 C ATOM 684 CG1 VAL A 45 -9.834 3.230 -20.655 1.00 0.00 C ATOM 685 CG2 VAL A 45 -8.951 3.417 -18.315 1.00 0.00 C ATOM 0 H VAL A 45 -6.926 5.252 -18.567 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.232 3.238 -20.675 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.406 5.032 -19.610 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.836 3.129 -20.238 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.891 3.739 -21.617 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.397 2.241 -20.793 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.972 3.318 -17.947 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.486 2.433 -18.363 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.382 4.055 -17.639 1.00 0.00 H new ATOM 772 N HIS A 53 -6.523 8.706 -20.401 1.00 0.00 N ATOM 773 CA HIS A 53 -6.896 9.224 -19.097 1.00 0.00 C ATOM 774 C HIS A 53 -6.235 8.407 -18.004 1.00 0.00 C ATOM 775 O HIS A 53 -6.536 7.225 -17.822 1.00 0.00 O ATOM 776 CB HIS A 53 -8.411 9.217 -18.904 1.00 0.00 C ATOM 777 CG HIS A 53 -9.069 10.504 -19.297 1.00 0.00 C ATOM 778 ND1 HIS A 53 -9.435 11.467 -18.381 1.00 0.00 N ATOM 779 CD2 HIS A 53 -9.416 10.992 -20.510 1.00 0.00 C ATOM 780 CE1 HIS A 53 -9.970 12.489 -19.015 1.00 0.00 C ATOM 781 NE2 HIS A 53 -9.976 12.230 -20.305 1.00 0.00 N ATOM 0 HA HIS A 53 -6.553 10.257 -19.039 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -8.840 8.405 -19.490 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.635 9.008 -17.858 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -9.279 10.500 -21.462 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.343 13.391 -18.553 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -10.337 12.847 -21.033 1.00 0.00 H new ATOM 790 N ASN A 54 -5.324 9.042 -17.291 1.00 0.00 N ATOM 791 CA ASN A 54 -4.662 8.411 -16.161 1.00 0.00 C ATOM 792 C ASN A 54 -5.585 8.509 -14.959 1.00 0.00 C ATOM 793 O ASN A 54 -5.735 9.577 -14.369 1.00 0.00 O ATOM 794 CB ASN A 54 -3.319 9.118 -15.894 1.00 0.00 C ATOM 795 CG ASN A 54 -2.497 8.492 -14.780 1.00 0.00 C ATOM 796 OD1 ASN A 54 -3.025 7.961 -13.810 1.00 0.00 O ATOM 797 ND2 ASN A 54 -1.182 8.560 -14.919 1.00 0.00 N ATOM 0 H ASN A 54 -5.023 9.999 -17.474 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.452 7.361 -16.366 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.730 9.114 -16.811 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.513 10.161 -15.645 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.572 8.162 -14.204 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.779 9.010 -15.741 1.00 0.00 H new ATOM 804 N GLN A 55 -6.218 7.397 -14.607 1.00 0.00 N ATOM 805 CA GLN A 55 -7.279 7.419 -13.612 1.00 0.00 C ATOM 806 C GLN A 55 -7.059 6.400 -12.506 1.00 0.00 C ATOM 807 O GLN A 55 -6.924 5.203 -12.762 1.00 0.00 O ATOM 808 CB GLN A 55 -8.634 7.160 -14.280 1.00 0.00 C ATOM 809 CG GLN A 55 -9.767 6.957 -13.285 1.00 0.00 C ATOM 810 CD GLN A 55 -11.111 6.721 -13.946 1.00 0.00 C ATOM 811 OE1 GLN A 55 -11.872 7.659 -14.181 1.00 0.00 O ATOM 812 NE2 GLN A 55 -11.402 5.471 -14.264 1.00 0.00 N ATOM 0 H GLN A 55 -6.016 6.475 -14.994 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.267 8.410 -13.157 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.877 8.000 -14.930 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.555 6.278 -14.915 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.531 6.107 -12.644 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.836 7.833 -12.640 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.742 4.724 -14.051 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.287 5.254 -14.723 1.00 0.00 H new ATOM 821 N CYS A 56 -7.031 6.887 -11.276 1.00 0.00 N ATOM 822 CA CYS A 56 -7.034 6.012 -10.119 1.00 0.00 C ATOM 823 C CYS A 56 -8.356 5.252 -10.065 1.00 0.00 C ATOM 824 O CYS A 56 -9.427 5.852 -9.956 1.00 0.00 O ATOM 825 CB CYS A 56 -6.804 6.820 -8.842 1.00 0.00 C ATOM 826 SG CYS A 56 -7.779 8.339 -8.739 1.00 0.00 S ATOM 0 H CYS A 56 -7.006 7.882 -11.055 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.221 5.290 -10.202 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.038 6.193 -7.982 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.747 7.075 -8.773 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.747 8.176 -7.886 1.00 0.00 H new ATOM 832 N LYS A 57 -8.263 3.931 -10.131 1.00 0.00 N ATOM 833 CA LYS A 57 -9.421 3.072 -10.350 1.00 0.00 C ATOM 834 C LYS A 57 -10.246 2.911 -9.075 1.00 0.00 C ATOM 835 O LYS A 57 -11.335 2.340 -9.089 1.00 0.00 O ATOM 836 CB LYS A 57 -8.922 1.712 -10.847 1.00 0.00 C ATOM 837 CG LYS A 57 -9.984 0.839 -11.492 1.00 0.00 C ATOM 838 CD LYS A 57 -9.345 -0.374 -12.147 1.00 0.00 C ATOM 839 CE LYS A 57 -10.347 -1.188 -12.945 1.00 0.00 C ATOM 840 NZ LYS A 57 -9.666 -2.191 -13.808 1.00 0.00 N ATOM 0 H LYS A 57 -7.383 3.424 -10.034 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.074 3.528 -11.094 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.121 1.876 -11.567 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.489 1.171 -10.006 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.705 0.517 -10.741 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.535 1.415 -12.236 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.539 -0.048 -12.804 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.896 -1.005 -11.380 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.030 -1.695 -12.264 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.949 -0.522 -13.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.379 -2.776 -14.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.084 -1.701 -14.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.058 -2.798 -13.222 1.00 0.00 H new ATOM 854 N LEU A 58 -9.722 3.434 -7.979 1.00 0.00 N ATOM 855 CA LEU A 58 -10.362 3.288 -6.683 1.00 0.00 C ATOM 856 C LEU A 58 -11.572 4.214 -6.558 1.00 0.00 C ATOM 857 O LEU A 58 -12.683 3.760 -6.274 1.00 0.00 O ATOM 858 CB LEU A 58 -9.353 3.579 -5.571 1.00 0.00 C ATOM 859 CG LEU A 58 -9.672 2.930 -4.230 1.00 0.00 C ATOM 860 CD1 LEU A 58 -9.679 1.418 -4.374 1.00 0.00 C ATOM 861 CD2 LEU A 58 -8.666 3.360 -3.175 1.00 0.00 C ATOM 0 H LEU A 58 -8.852 3.965 -7.962 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.716 2.261 -6.588 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.369 3.242 -5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.290 4.658 -5.430 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.661 3.257 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.908 0.962 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.435 1.125 -5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.699 1.080 -4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.911 2.886 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.665 3.059 -3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.700 4.443 -3.060 1.00 0.00 H new ATOM 873 N CYS A 59 -11.354 5.505 -6.774 1.00 0.00 N ATOM 874 CA CYS A 59 -12.420 6.493 -6.647 1.00 0.00 C ATOM 875 C CYS A 59 -12.937 6.918 -8.017 1.00 0.00 C ATOM 876 O CYS A 59 -14.075 7.364 -8.156 1.00 0.00 O ATOM 877 CB CYS A 59 -11.914 7.711 -5.874 1.00 0.00 C ATOM 878 SG CYS A 59 -10.383 8.421 -6.529 1.00 0.00 S ATOM 0 H CYS A 59 -10.449 5.893 -7.038 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.245 6.038 -6.099 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.688 8.478 -5.879 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.754 7.427 -4.834 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.038 9.447 -5.809 1.00 0.00 H new ATOM 884 N GLY A 60 -12.093 6.777 -9.029 1.00 0.00 N ATOM 885 CA GLY A 60 -12.467 7.181 -10.367 1.00 0.00 C ATOM 886 C GLY A 60 -12.185 8.649 -10.625 1.00 0.00 C ATOM 887 O GLY A 60 -13.103 9.436 -10.867 1.00 0.00 O ATOM 0 H GLY A 60 -11.153 6.389 -8.946 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.923 6.576 -11.092 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.528 6.985 -10.520 1.00 0.00 H new ATOM 891 N ALA A 61 -10.916 9.018 -10.542 1.00 0.00 N ATOM 892 CA ALA A 61 -10.481 10.375 -10.847 1.00 0.00 C ATOM 893 C ALA A 61 -9.265 10.325 -11.760 1.00 0.00 C ATOM 894 O ALA A 61 -8.310 9.593 -11.477 1.00 0.00 O ATOM 895 CB ALA A 61 -10.162 11.137 -9.567 1.00 0.00 C ATOM 0 H ALA A 61 -10.162 8.391 -10.263 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.287 10.902 -11.357 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.839 12.148 -9.816 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.053 11.185 -8.940 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.366 10.624 -9.027 1.00 0.00 H new ATOM 901 N SER A 62 -9.294 11.086 -12.847 1.00 0.00 N ATOM 902 CA SER A 62 -8.241 11.000 -13.848 1.00 0.00 C ATOM 903 C SER A 62 -7.552 12.340 -14.089 1.00 0.00 C ATOM 904 O SER A 62 -8.071 13.402 -13.735 1.00 0.00 O ATOM 905 CB SER A 62 -8.807 10.462 -15.159 1.00 0.00 C ATOM 906 OG SER A 62 -9.893 11.251 -15.619 1.00 0.00 O ATOM 0 H SER A 62 -10.028 11.763 -13.056 1.00 0.00 H new ATOM 0 HA SER A 62 -7.487 10.314 -13.462 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.022 10.445 -15.915 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.137 9.433 -15.019 1.00 0.00 H new ATOM 0 HG SER A 62 -9.760 11.470 -16.565 1.00 0.00 H new ATOM 912 N VAL A 63 -6.379 12.270 -14.698 1.00 0.00 N ATOM 913 CA VAL A 63 -5.611 13.449 -15.054 1.00 0.00 C ATOM 914 C VAL A 63 -5.115 13.315 -16.498 1.00 0.00 C ATOM 915 O VAL A 63 -4.821 12.203 -16.949 1.00 0.00 O ATOM 916 CB VAL A 63 -4.410 13.635 -14.088 1.00 0.00 C ATOM 917 CG1 VAL A 63 -3.388 12.523 -14.264 1.00 0.00 C ATOM 918 CG2 VAL A 63 -3.757 14.993 -14.272 1.00 0.00 C ATOM 0 H VAL A 63 -5.933 11.391 -14.959 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.251 14.327 -14.970 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.799 13.584 -13.071 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.558 12.679 -13.575 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.857 11.561 -14.055 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.015 12.530 -15.288 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.920 15.091 -13.581 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.395 15.087 -15.296 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.487 15.778 -14.072 1.00 0.00 H new ATOM 928 N PRO A 64 -5.082 14.422 -17.262 1.00 0.00 N ATOM 929 CA PRO A 64 -4.495 14.445 -18.608 1.00 0.00 C ATOM 930 C PRO A 64 -3.067 13.895 -18.620 1.00 0.00 C ATOM 931 O PRO A 64 -2.211 14.340 -17.847 1.00 0.00 O ATOM 932 CB PRO A 64 -4.498 15.934 -18.989 1.00 0.00 C ATOM 933 CG PRO A 64 -4.834 16.673 -17.735 1.00 0.00 C ATOM 934 CD PRO A 64 -5.643 15.728 -16.900 1.00 0.00 C ATOM 0 HA PRO A 64 -5.055 13.820 -19.304 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.526 16.241 -19.376 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.230 16.136 -19.771 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.930 16.981 -17.210 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.398 17.579 -17.956 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.536 15.934 -15.835 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -6.706 15.791 -17.131 1.00 0.00 H new ATOM 942 N TRP A 65 -2.823 12.926 -19.497 1.00 0.00 N ATOM 943 CA TRP A 65 -1.529 12.249 -19.573 1.00 0.00 C ATOM 944 C TRP A 65 -0.402 13.206 -19.966 1.00 0.00 C ATOM 945 O TRP A 65 0.746 13.015 -19.569 1.00 0.00 O ATOM 946 CB TRP A 65 -1.593 11.067 -20.557 1.00 0.00 C ATOM 947 CG TRP A 65 -1.828 11.453 -21.994 1.00 0.00 C ATOM 948 CD1 TRP A 65 -2.833 12.238 -22.487 1.00 0.00 C ATOM 949 CD2 TRP A 65 -1.058 11.037 -23.128 1.00 0.00 C ATOM 950 NE1 TRP A 65 -2.716 12.360 -23.850 1.00 0.00 N ATOM 951 CE2 TRP A 65 -1.637 11.628 -24.268 1.00 0.00 C ATOM 952 CE3 TRP A 65 0.078 10.233 -23.291 1.00 0.00 C ATOM 953 CZ2 TRP A 65 -1.126 11.433 -25.550 1.00 0.00 C ATOM 954 CZ3 TRP A 65 0.580 10.041 -24.563 1.00 0.00 C ATOM 955 CH2 TRP A 65 -0.017 10.641 -25.678 1.00 0.00 C ATOM 0 H TRP A 65 -3.510 12.588 -20.171 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.305 11.870 -18.576 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.659 10.509 -20.494 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.389 10.393 -20.242 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.608 12.696 -21.890 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.332 12.906 -24.452 1.00 0.00 H new ATOM 0 HE3 TRP A 65 0.552 9.772 -22.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -1.589 11.891 -26.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 1.450 9.416 -24.700 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.406 10.476 -26.658 1.00 0.00 H new ATOM 966 N LEU A 66 -0.729 14.249 -20.721 1.00 0.00 N ATOM 967 CA LEU A 66 0.285 15.187 -21.184 1.00 0.00 C ATOM 968 C LEU A 66 0.467 16.346 -20.210 1.00 0.00 C ATOM 969 O LEU A 66 1.025 17.384 -20.567 1.00 0.00 O ATOM 970 CB LEU A 66 -0.067 15.719 -22.575 1.00 0.00 C ATOM 971 CG LEU A 66 0.007 14.690 -23.702 1.00 0.00 C ATOM 972 CD1 LEU A 66 -0.362 15.326 -25.030 1.00 0.00 C ATOM 973 CD2 LEU A 66 1.397 14.074 -23.776 1.00 0.00 C ATOM 0 H LEU A 66 -1.679 14.465 -21.023 1.00 0.00 H new ATOM 0 HA LEU A 66 1.229 14.644 -21.240 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.076 16.130 -22.545 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.606 16.543 -22.812 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.710 13.897 -23.488 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.304 14.578 -25.820 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.378 15.718 -24.976 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.330 16.139 -25.249 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.429 13.344 -24.585 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.132 14.856 -23.964 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.627 13.580 -22.832 1.00 0.00 H new ATOM 985 N GLN A 67 -0.005 16.179 -18.979 1.00 0.00 N ATOM 986 CA GLN A 67 0.230 17.179 -17.948 1.00 0.00 C ATOM 987 C GLN A 67 1.562 16.907 -17.254 1.00 0.00 C ATOM 988 O GLN A 67 2.503 17.693 -17.363 1.00 0.00 O ATOM 989 CB GLN A 67 -0.909 17.200 -16.923 1.00 0.00 C ATOM 990 CG GLN A 67 -0.746 18.281 -15.867 1.00 0.00 C ATOM 991 CD GLN A 67 -1.933 18.384 -14.933 1.00 0.00 C ATOM 992 OE1 GLN A 67 -2.882 19.116 -15.198 1.00 0.00 O ATOM 993 NE2 GLN A 67 -1.890 17.654 -13.828 1.00 0.00 N ATOM 0 H GLN A 67 -0.546 15.370 -18.675 1.00 0.00 H new ATOM 0 HA GLN A 67 0.267 18.158 -18.425 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.855 17.350 -17.444 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.966 16.228 -16.433 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.151 18.077 -15.283 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.595 19.242 -16.360 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.084 17.057 -13.642 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.663 17.689 -13.163 1.00 0.00 H new ATOM 1002 N THR A 68 1.637 15.775 -16.558 1.00 0.00 N ATOM 1003 CA THR A 68 2.851 15.372 -15.853 1.00 0.00 C ATOM 1004 C THR A 68 2.620 14.073 -15.077 1.00 0.00 C ATOM 1005 O THR A 68 3.512 13.225 -14.993 1.00 0.00 O ATOM 1006 CB THR A 68 3.362 16.479 -14.890 1.00 0.00 C ATOM 1007 OG1 THR A 68 4.549 16.047 -14.208 1.00 0.00 O ATOM 1008 CG2 THR A 68 2.299 16.870 -13.872 1.00 0.00 C ATOM 0 H THR A 68 0.864 15.116 -16.467 1.00 0.00 H new ATOM 0 HA THR A 68 3.618 15.208 -16.610 1.00 0.00 H new ATOM 0 HB THR A 68 3.594 17.355 -15.496 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.858 16.757 -13.607 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.692 17.646 -13.216 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.418 17.246 -14.392 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.025 15.998 -13.279 1.00 0.00 H new ATOM 1016 N GLY A 69 1.420 13.910 -14.529 1.00 0.00 N ATOM 1017 CA GLY A 69 1.117 12.725 -13.750 1.00 0.00 C ATOM 1018 C GLY A 69 1.587 12.863 -12.316 1.00 0.00 C ATOM 1019 O GLY A 69 1.766 13.985 -11.835 1.00 0.00 O ATOM 0 H GLY A 69 0.653 14.577 -14.611 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.042 12.544 -13.765 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.593 11.857 -14.207 1.00 0.00 H new ATOM 1091 N HIS A 74 -6.810 13.166 -5.059 1.00 0.00 N ATOM 1092 CA HIS A 74 -7.737 12.098 -4.708 1.00 0.00 C ATOM 1093 C HIS A 74 -8.813 12.610 -3.761 1.00 0.00 C ATOM 1094 O HIS A 74 -8.790 13.772 -3.354 1.00 0.00 O ATOM 1095 CB HIS A 74 -6.992 10.937 -4.037 1.00 0.00 C ATOM 1096 CG HIS A 74 -5.985 10.254 -4.913 1.00 0.00 C ATOM 1097 ND1 HIS A 74 -6.149 9.404 -5.954 1.00 0.00 N flip ATOM 1098 CD2 HIS A 74 -4.620 10.387 -4.745 1.00 0.00 C flip ATOM 1099 CE1 HIS A 74 -4.897 9.046 -6.392 1.00 0.00 C flip ATOM 1100 NE2 HIS A 74 -3.993 9.652 -5.646 1.00 0.00 N flip ATOM 0 HA HIS A 74 -8.203 11.747 -5.628 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -6.486 11.313 -3.148 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -7.721 10.200 -3.701 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -7.038 9.088 -6.342 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.140 10.997 -3.994 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.687 8.377 -7.214 1.00 0.00 H new ATOM 1109 N ALA A 75 -9.746 11.736 -3.412 1.00 0.00 N ATOM 1110 CA ALA A 75 -10.756 12.056 -2.425 1.00 0.00 C ATOM 1111 C ALA A 75 -10.224 11.748 -1.033 1.00 0.00 C ATOM 1112 O ALA A 75 -9.394 10.853 -0.867 1.00 0.00 O ATOM 1113 CB ALA A 75 -12.034 11.274 -2.699 1.00 0.00 C ATOM 0 H ALA A 75 -9.821 10.797 -3.802 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.992 13.118 -2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.783 11.526 -1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.412 11.530 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.823 10.205 -2.656 1.00 0.00 H new ATOM 1119 N ASP A 76 -10.706 12.481 -0.042 1.00 0.00 N ATOM 1120 CA ASP A 76 -10.256 12.310 1.342 1.00 0.00 C ATOM 1121 C ASP A 76 -10.743 10.971 1.895 1.00 0.00 C ATOM 1122 O ASP A 76 -10.277 10.495 2.925 1.00 0.00 O ATOM 1123 CB ASP A 76 -10.782 13.461 2.207 1.00 0.00 C ATOM 1124 CG ASP A 76 -10.069 13.578 3.542 1.00 0.00 C ATOM 1125 OD1 ASP A 76 -9.057 14.305 3.612 1.00 0.00 O ATOM 1126 OD2 ASP A 76 -10.527 12.965 4.531 1.00 0.00 O ATOM 0 H ASP A 76 -11.413 13.206 -0.165 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.166 12.320 1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.672 14.398 1.660 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.848 13.317 2.383 1.00 0.00 H new ATOM 1131 N ASP A 77 -11.677 10.366 1.175 1.00 0.00 N ATOM 1132 CA ASP A 77 -12.284 9.103 1.579 1.00 0.00 C ATOM 1133 C ASP A 77 -11.404 7.920 1.173 1.00 0.00 C ATOM 1134 O ASP A 77 -11.602 6.794 1.630 1.00 0.00 O ATOM 1135 CB ASP A 77 -13.666 8.984 0.928 1.00 0.00 C ATOM 1136 CG ASP A 77 -14.455 7.783 1.406 1.00 0.00 C ATOM 1137 OD1 ASP A 77 -15.088 7.875 2.480 1.00 0.00 O ATOM 1138 OD2 ASP A 77 -14.466 6.751 0.700 1.00 0.00 O ATOM 0 H ASP A 77 -12.036 10.735 0.295 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.385 9.086 2.664 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -14.236 9.890 1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.546 8.923 -0.154 1.00 0.00 H new ATOM 1143 N CYS A 78 -10.421 8.190 0.325 1.00 0.00 N ATOM 1144 CA CYS A 78 -9.560 7.145 -0.211 1.00 0.00 C ATOM 1145 C CYS A 78 -8.379 6.862 0.717 1.00 0.00 C ATOM 1146 O CYS A 78 -7.723 7.785 1.201 1.00 0.00 O ATOM 1147 CB CYS A 78 -9.038 7.557 -1.588 1.00 0.00 C ATOM 1148 SG CYS A 78 -10.332 8.001 -2.765 1.00 0.00 S ATOM 0 H CYS A 78 -10.199 9.128 -0.008 1.00 0.00 H new ATOM 0 HA CYS A 78 -10.154 6.235 -0.296 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -8.363 8.405 -1.470 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -8.451 6.737 -2.002 1.00 0.00 H new ATOM 0 HG CYS A 78 -9.839 8.013 -3.968 1.00 0.00 H new ATOM 1154 N PRO A 79 -8.074 5.574 0.953 1.00 0.00 N ATOM 1155 CA PRO A 79 -6.924 5.163 1.772 1.00 0.00 C ATOM 1156 C PRO A 79 -5.586 5.487 1.103 1.00 0.00 C ATOM 1157 O PRO A 79 -4.520 5.166 1.621 1.00 0.00 O ATOM 1158 CB PRO A 79 -7.105 3.648 1.910 1.00 0.00 C ATOM 1159 CG PRO A 79 -7.936 3.252 0.739 1.00 0.00 C ATOM 1160 CD PRO A 79 -8.844 4.416 0.463 1.00 0.00 C ATOM 0 HA PRO A 79 -6.896 5.689 2.727 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.144 3.133 1.904 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -7.598 3.393 2.848 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -7.311 3.031 -0.126 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -8.511 2.351 0.955 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.071 4.505 -0.599 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.795 4.316 0.985 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.654 6.126 -0.055 1.00 0.00 N ATOM 1169 CA VAL A 80 -4.461 6.549 -0.770 1.00 0.00 C ATOM 1170 C VAL A 80 -3.836 7.762 -0.078 1.00 0.00 C ATOM 1171 O VAL A 80 -2.623 7.957 -0.117 1.00 0.00 O ATOM 1172 CB VAL A 80 -4.780 6.892 -2.244 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -3.504 7.169 -3.025 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -5.572 5.768 -2.897 1.00 0.00 C ATOM 0 H VAL A 80 -6.529 6.364 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.753 5.720 -0.760 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.389 7.796 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.755 7.408 -4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.978 8.011 -2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.864 6.287 -3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.786 6.029 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.989 4.847 -2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.508 5.622 -2.358 1.00 0.00 H new ATOM 1184 N VAL A 81 -4.678 8.566 0.565 1.00 0.00 N ATOM 1185 CA VAL A 81 -4.222 9.773 1.246 1.00 0.00 C ATOM 1186 C VAL A 81 -3.225 9.434 2.350 1.00 0.00 C ATOM 1187 O VAL A 81 -2.134 10.004 2.408 1.00 0.00 O ATOM 1188 CB VAL A 81 -5.406 10.554 1.852 1.00 0.00 C ATOM 1189 CG1 VAL A 81 -4.928 11.822 2.540 1.00 0.00 C ATOM 1190 CG2 VAL A 81 -6.422 10.891 0.776 1.00 0.00 C ATOM 0 H VAL A 81 -5.683 8.402 0.629 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.732 10.397 0.499 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.882 9.920 2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.783 12.353 2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.235 11.563 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.423 12.461 1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.252 11.442 1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.949 11.503 0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.796 9.971 0.328 1.00 0.00 H new ATOM 1200 N ILE A 82 -3.598 8.500 3.214 1.00 0.00 N ATOM 1201 CA ILE A 82 -2.721 8.071 4.293 1.00 0.00 C ATOM 1202 C ILE A 82 -1.475 7.390 3.730 1.00 0.00 C ATOM 1203 O ILE A 82 -0.356 7.677 4.152 1.00 0.00 O ATOM 1204 CB ILE A 82 -3.455 7.131 5.279 1.00 0.00 C ATOM 1205 CG1 ILE A 82 -2.523 6.659 6.395 1.00 0.00 C ATOM 1206 CG2 ILE A 82 -4.072 5.942 4.567 1.00 0.00 C ATOM 1207 CD1 ILE A 82 -2.128 7.748 7.366 1.00 0.00 C ATOM 0 H ILE A 82 -4.501 8.026 3.188 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.415 8.959 4.847 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.263 7.709 5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.010 5.854 6.946 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.621 6.239 5.949 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.578 5.306 5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.792 6.294 3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.289 5.371 4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.467 7.334 8.127 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.611 8.544 6.830 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.021 8.152 7.842 1.00 0.00 H new ATOM 1219 N ALA A 83 -1.681 6.523 2.744 1.00 0.00 N ATOM 1220 CA ALA A 83 -0.587 5.804 2.090 1.00 0.00 C ATOM 1221 C ALA A 83 0.466 6.763 1.533 1.00 0.00 C ATOM 1222 O ALA A 83 1.669 6.521 1.662 1.00 0.00 O ATOM 1223 CB ALA A 83 -1.129 4.916 0.981 1.00 0.00 C ATOM 0 H ALA A 83 -2.605 6.298 2.375 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.103 5.182 2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.305 4.387 0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.828 4.194 1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.643 5.530 0.242 1.00 0.00 H new ATOM 1229 N LYS A 84 0.012 7.856 0.929 1.00 0.00 N ATOM 1230 CA LYS A 84 0.921 8.848 0.367 1.00 0.00 C ATOM 1231 C LYS A 84 1.755 9.502 1.464 1.00 0.00 C ATOM 1232 O LYS A 84 2.930 9.814 1.273 1.00 0.00 O ATOM 1233 CB LYS A 84 0.154 9.919 -0.405 1.00 0.00 C ATOM 1234 CG LYS A 84 1.066 10.921 -1.091 1.00 0.00 C ATOM 1235 CD LYS A 84 0.282 11.957 -1.869 1.00 0.00 C ATOM 1236 CE LYS A 84 1.208 12.832 -2.697 1.00 0.00 C ATOM 1237 NZ LYS A 84 0.461 13.773 -3.567 1.00 0.00 N ATOM 0 H LYS A 84 -0.977 8.077 0.816 1.00 0.00 H new ATOM 0 HA LYS A 84 1.588 8.330 -0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.477 9.439 -1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.509 10.448 0.279 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.685 11.419 -0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.741 10.395 -1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.435 11.460 -2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.291 12.578 -1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.862 13.396 -2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.847 12.200 -3.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.133 14.349 -4.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.145 13.236 -4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.130 14.395 -2.979 1.00 0.00 H new ATOM 1251 N GLN A 85 1.138 9.719 2.612 1.00 0.00 N ATOM 1252 CA GLN A 85 1.838 10.262 3.756 1.00 0.00 C ATOM 1253 C GLN A 85 2.866 9.261 4.274 1.00 0.00 C ATOM 1254 O GLN A 85 3.970 9.640 4.675 1.00 0.00 O ATOM 1255 CB GLN A 85 0.838 10.624 4.847 1.00 0.00 C ATOM 1256 CG GLN A 85 -0.193 11.647 4.404 1.00 0.00 C ATOM 1257 CD GLN A 85 -1.115 12.083 5.524 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -1.342 11.202 6.487 1.00 0.00 O flip ATOM 1259 NE2 GLN A 85 -1.615 13.210 5.524 1.00 0.00 N flip ATOM 0 H GLN A 85 0.150 9.526 2.774 1.00 0.00 H new ATOM 0 HA GLN A 85 2.368 11.165 3.455 1.00 0.00 H new ATOM 0 HB2 GLN A 85 0.325 9.720 5.174 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.378 11.013 5.710 1.00 0.00 H new ATOM 0 HG2 GLN A 85 0.320 12.521 4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.789 11.227 3.594 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -1.413 13.857 4.762 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.230 13.495 6.286 1.00 0.00 H new ATOM 1268 N ILE A 86 2.504 7.981 4.236 1.00 0.00 N ATOM 1269 CA ILE A 86 3.402 6.913 4.661 1.00 0.00 C ATOM 1270 C ILE A 86 4.646 6.868 3.779 1.00 0.00 C ATOM 1271 O ILE A 86 5.769 6.784 4.279 1.00 0.00 O ATOM 1272 CB ILE A 86 2.710 5.530 4.617 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.441 5.525 5.475 1.00 0.00 C ATOM 1274 CG2 ILE A 86 3.667 4.442 5.084 1.00 0.00 C ATOM 1275 CD1 ILE A 86 1.684 5.877 6.925 1.00 0.00 C ATOM 0 H ILE A 86 1.592 7.659 3.914 1.00 0.00 H new ATOM 0 HA ILE A 86 3.686 7.132 5.690 1.00 0.00 H new ATOM 0 HB ILE A 86 2.425 5.327 3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.726 6.232 5.054 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.982 4.538 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.165 3.475 5.047 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.541 4.422 4.433 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.982 4.649 6.107 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.740 5.853 7.469 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.374 5.156 7.364 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.114 6.876 6.990 1.00 0.00 H new ATOM 1287 N LEU A 87 4.442 6.941 2.466 1.00 0.00 N ATOM 1288 CA LEU A 87 5.551 6.865 1.521 1.00 0.00 C ATOM 1289 C LEU A 87 6.423 8.115 1.581 1.00 0.00 C ATOM 1290 O LEU A 87 7.544 8.123 1.079 1.00 0.00 O ATOM 1291 CB LEU A 87 5.046 6.607 0.090 1.00 0.00 C ATOM 1292 CG LEU A 87 4.129 7.675 -0.525 1.00 0.00 C ATOM 1293 CD1 LEU A 87 4.937 8.808 -1.145 1.00 0.00 C ATOM 1294 CD2 LEU A 87 3.210 7.046 -1.562 1.00 0.00 C ATOM 0 H LEU A 87 3.524 7.052 2.035 1.00 0.00 H new ATOM 0 HA LEU A 87 6.172 6.018 1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.913 6.489 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.512 5.657 0.085 1.00 0.00 H new ATOM 0 HG LEU A 87 3.521 8.099 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.259 9.547 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.551 9.279 -0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.580 8.409 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.565 7.814 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.809 6.593 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.596 6.280 -1.088 1.00 0.00 H new ATOM 1306 N SER A 88 5.907 9.172 2.194 1.00 0.00 N ATOM 1307 CA SER A 88 6.690 10.378 2.401 1.00 0.00 C ATOM 1308 C SER A 88 7.484 10.244 3.700 1.00 0.00 C ATOM 1309 O SER A 88 8.632 10.686 3.786 1.00 0.00 O ATOM 1310 CB SER A 88 5.779 11.611 2.439 1.00 0.00 C ATOM 1311 OG SER A 88 6.530 12.813 2.373 1.00 0.00 O ATOM 0 H SER A 88 4.954 9.217 2.554 1.00 0.00 H new ATOM 0 HA SER A 88 7.385 10.507 1.571 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.078 11.573 1.606 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.187 11.600 3.354 1.00 0.00 H new ATOM 0 HG SER A 88 5.921 13.581 2.398 1.00 0.00 H new ATOM 1317 N SER A 89 6.849 9.627 4.706 1.00 0.00 N ATOM 1318 CA SER A 89 7.498 9.299 5.981 1.00 0.00 C ATOM 1319 C SER A 89 7.908 10.552 6.758 1.00 0.00 C ATOM 1320 O SER A 89 8.711 10.479 7.690 1.00 0.00 O ATOM 1321 CB SER A 89 8.719 8.404 5.739 1.00 0.00 C ATOM 1322 OG SER A 89 8.359 7.229 5.026 1.00 0.00 O ATOM 0 H SER A 89 5.871 9.342 4.658 1.00 0.00 H new ATOM 0 HA SER A 89 6.769 8.762 6.588 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.473 8.956 5.179 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.168 8.130 6.694 1.00 0.00 H new ATOM 0 HG SER A 89 7.384 7.183 4.943 1.00 0.00 H new ATOM 1328 N ARG A 90 7.340 11.691 6.399 1.00 0.00 N ATOM 1329 CA ARG A 90 7.680 12.942 7.055 1.00 0.00 C ATOM 1330 C ARG A 90 6.443 13.813 7.229 1.00 0.00 C ATOM 1331 O ARG A 90 5.471 13.679 6.481 1.00 0.00 O ATOM 1332 CB ARG A 90 8.736 13.701 6.248 1.00 0.00 C ATOM 1333 CG ARG A 90 8.295 14.023 4.833 1.00 0.00 C ATOM 1334 CD ARG A 90 9.278 14.943 4.141 1.00 0.00 C ATOM 1335 NE ARG A 90 8.934 15.153 2.736 1.00 0.00 N ATOM 1336 CZ ARG A 90 9.230 16.256 2.052 1.00 0.00 C ATOM 1337 NH1 ARG A 90 9.826 17.278 2.655 1.00 0.00 N ATOM 1338 NH2 ARG A 90 8.907 16.343 0.769 1.00 0.00 N ATOM 0 H ARG A 90 6.643 11.775 5.659 1.00 0.00 H new ATOM 0 HA ARG A 90 8.086 12.707 8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.980 14.629 6.765 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.650 13.108 6.210 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.196 13.099 4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.311 14.491 4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.301 15.903 4.656 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.280 14.521 4.210 1.00 0.00 H new ATOM 0 HE ARG A 90 8.436 14.408 2.249 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.059 17.220 3.646 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.051 18.121 2.127 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.433 15.566 0.309 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.133 17.187 0.242 1.00 0.00 H new ATOM 1710 N TYR B 18 2.714 8.009 12.418 1.00 0.00 N ATOM 1711 CA TYR B 18 2.913 7.083 11.319 1.00 0.00 C ATOM 1712 C TYR B 18 1.689 6.199 11.103 1.00 0.00 C ATOM 1713 O TYR B 18 1.288 5.958 9.974 1.00 0.00 O ATOM 1714 CB TYR B 18 4.152 6.231 11.582 1.00 0.00 C ATOM 1715 CG TYR B 18 5.419 7.047 11.699 1.00 0.00 C ATOM 1716 CD1 TYR B 18 5.937 7.717 10.599 1.00 0.00 C ATOM 1717 CD2 TYR B 18 6.085 7.164 12.912 1.00 0.00 C ATOM 1718 CE1 TYR B 18 7.089 8.472 10.701 1.00 0.00 C ATOM 1719 CE2 TYR B 18 7.235 7.921 13.022 1.00 0.00 C ATOM 1720 CZ TYR B 18 7.731 8.574 11.914 1.00 0.00 C ATOM 1721 OH TYR B 18 8.873 9.334 12.020 1.00 0.00 O ATOM 0 HA TYR B 18 3.061 7.661 10.407 1.00 0.00 H new ATOM 0 HB2 TYR B 18 4.007 5.663 12.501 1.00 0.00 H new ATOM 0 HB3 TYR B 18 4.266 5.508 10.775 1.00 0.00 H new ATOM 0 HD1 TYR B 18 5.431 7.647 9.648 1.00 0.00 H new ATOM 0 HD2 TYR B 18 5.698 6.655 13.783 1.00 0.00 H new ATOM 0 HE1 TYR B 18 7.484 8.980 9.833 1.00 0.00 H new ATOM 0 HE2 TYR B 18 7.743 8.001 13.972 1.00 0.00 H new ATOM 0 HH TYR B 18 9.627 8.759 12.266 1.00 0.00 H new ATOM 1731 N PHE B 19 1.104 5.717 12.189 1.00 0.00 N ATOM 1732 CA PHE B 19 -0.082 4.871 12.107 1.00 0.00 C ATOM 1733 C PHE B 19 -1.032 5.190 13.246 1.00 0.00 C ATOM 1734 O PHE B 19 -0.615 5.741 14.268 1.00 0.00 O ATOM 1735 CB PHE B 19 0.294 3.384 12.136 1.00 0.00 C ATOM 1736 CG PHE B 19 0.822 2.871 10.827 1.00 0.00 C ATOM 1737 CD1 PHE B 19 -0.052 2.497 9.819 1.00 0.00 C ATOM 1738 CD2 PHE B 19 2.185 2.766 10.599 1.00 0.00 C ATOM 1739 CE1 PHE B 19 0.421 2.029 8.610 1.00 0.00 C ATOM 1740 CE2 PHE B 19 2.665 2.300 9.391 1.00 0.00 C ATOM 1741 CZ PHE B 19 1.782 1.933 8.394 1.00 0.00 C ATOM 0 H PHE B 19 1.430 5.896 13.139 1.00 0.00 H new ATOM 0 HA PHE B 19 -0.578 5.077 11.158 1.00 0.00 H new ATOM 0 HB2 PHE B 19 1.045 3.223 12.909 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -0.583 2.802 12.418 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -1.117 2.573 9.982 1.00 0.00 H new ATOM 0 HD2 PHE B 19 2.880 3.052 11.375 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -0.272 1.738 7.834 1.00 0.00 H new ATOM 0 HE2 PHE B 19 3.729 2.223 9.226 1.00 0.00 H new ATOM 0 HZ PHE B 19 2.155 1.572 7.447 1.00 0.00 H new ATOM 1751 N GLN B 20 -2.298 4.832 13.071 1.00 0.00 N ATOM 1752 CA GLN B 20 -3.335 5.129 14.058 1.00 0.00 C ATOM 1753 C GLN B 20 -3.202 4.246 15.300 1.00 0.00 C ATOM 1754 O GLN B 20 -4.015 3.355 15.526 1.00 0.00 O ATOM 1755 CB GLN B 20 -4.724 4.945 13.437 1.00 0.00 C ATOM 1756 CG GLN B 20 -5.041 5.933 12.326 1.00 0.00 C ATOM 1757 CD GLN B 20 -5.313 7.335 12.835 1.00 0.00 C ATOM 1758 OE1 GLN B 20 -4.782 7.759 13.862 1.00 0.00 O ATOM 1759 NE2 GLN B 20 -6.161 8.059 12.126 1.00 0.00 N ATOM 0 H GLN B 20 -2.636 4.332 12.249 1.00 0.00 H new ATOM 0 HA GLN B 20 -3.208 6.167 14.367 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -4.803 3.932 13.042 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -5.476 5.041 14.220 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -4.206 5.963 11.626 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -5.910 5.580 11.771 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -6.580 7.671 11.281 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -6.397 9.006 12.424 1.00 0.00 H new ATOM 1768 N GLY B 21 -2.163 4.495 16.090 1.00 0.00 N ATOM 1769 CA GLY B 21 -1.961 3.755 17.323 1.00 0.00 C ATOM 1770 C GLY B 21 -1.444 2.351 17.083 1.00 0.00 C ATOM 1771 O GLY B 21 -2.122 1.535 16.463 1.00 0.00 O ATOM 0 H GLY B 21 -1.453 5.201 15.897 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -1.256 4.295 17.955 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -2.903 3.703 17.869 1.00 0.00 H new ATOM 1775 N MET B 22 -0.247 2.059 17.579 1.00 0.00 N ATOM 1776 CA MET B 22 0.348 0.742 17.395 1.00 0.00 C ATOM 1777 C MET B 22 -0.423 -0.309 18.174 1.00 0.00 C ATOM 1778 O MET B 22 -0.292 -0.426 19.392 1.00 0.00 O ATOM 1779 CB MET B 22 1.821 0.744 17.792 1.00 0.00 C ATOM 1780 CG MET B 22 2.688 1.507 16.810 1.00 0.00 C ATOM 1781 SD MET B 22 2.523 0.870 15.128 1.00 0.00 S ATOM 1782 CE MET B 22 3.443 2.097 14.206 1.00 0.00 C ATOM 0 H MET B 22 0.328 2.714 18.109 1.00 0.00 H new ATOM 0 HA MET B 22 0.290 0.491 16.336 1.00 0.00 H new ATOM 0 HB2 MET B 22 1.926 1.186 18.783 1.00 0.00 H new ATOM 0 HB3 MET B 22 2.176 -0.284 17.862 1.00 0.00 H new ATOM 0 HG2 MET B 22 2.414 2.562 16.827 1.00 0.00 H new ATOM 0 HG3 MET B 22 3.731 1.444 17.121 1.00 0.00 H new ATOM 0 HE1 MET B 22 3.432 1.840 13.147 1.00 0.00 H new ATOM 0 HE2 MET B 22 2.986 3.076 14.347 1.00 0.00 H new ATOM 0 HE3 MET B 22 4.473 2.123 14.562 1.00 0.00 H new ATOM 1792 N THR B 23 -1.226 -1.059 17.440 1.00 0.00 N ATOM 1793 CA THR B 23 -2.154 -2.021 18.001 1.00 0.00 C ATOM 1794 C THR B 23 -2.997 -2.590 16.854 1.00 0.00 C ATOM 1795 O THR B 23 -2.551 -2.587 15.705 1.00 0.00 O ATOM 1796 CB THR B 23 -3.054 -1.357 19.080 1.00 0.00 C ATOM 1797 OG1 THR B 23 -3.874 -2.335 19.734 1.00 0.00 O ATOM 1798 CG2 THR B 23 -3.937 -0.266 18.479 1.00 0.00 C ATOM 0 H THR B 23 -1.251 -1.015 16.421 1.00 0.00 H new ATOM 0 HA THR B 23 -1.608 -2.825 18.494 1.00 0.00 H new ATOM 0 HB THR B 23 -2.391 -0.899 19.814 1.00 0.00 H new ATOM 0 HG1 THR B 23 -4.431 -1.896 20.410 1.00 0.00 H new ATOM 0 HG21 THR B 23 -4.553 0.176 19.262 1.00 0.00 H new ATOM 0 HG22 THR B 23 -3.309 0.505 18.032 1.00 0.00 H new ATOM 0 HG23 THR B 23 -4.580 -0.699 17.713 1.00 0.00 H new ATOM 1806 N ASP B 24 -4.196 -3.074 17.150 1.00 0.00 N ATOM 1807 CA ASP B 24 -5.097 -3.581 16.114 1.00 0.00 C ATOM 1808 C ASP B 24 -5.420 -2.493 15.088 1.00 0.00 C ATOM 1809 O ASP B 24 -5.641 -2.778 13.912 1.00 0.00 O ATOM 1810 CB ASP B 24 -6.399 -4.099 16.739 1.00 0.00 C ATOM 1811 CG ASP B 24 -7.175 -3.016 17.472 1.00 0.00 C ATOM 1812 OD1 ASP B 24 -7.803 -2.165 16.804 1.00 0.00 O ATOM 1813 OD2 ASP B 24 -7.165 -3.021 18.720 1.00 0.00 O ATOM 0 H ASP B 24 -4.570 -3.128 18.097 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.590 -4.402 15.607 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -7.028 -4.523 15.957 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -6.167 -4.906 17.434 1.00 0.00 H new ATOM 1818 N THR B 25 -5.420 -1.245 15.537 1.00 0.00 N ATOM 1819 CA THR B 25 -5.812 -0.125 14.696 1.00 0.00 C ATOM 1820 C THR B 25 -4.707 0.246 13.700 1.00 0.00 C ATOM 1821 O THR B 25 -4.993 0.646 12.572 1.00 0.00 O ATOM 1822 CB THR B 25 -6.185 1.083 15.568 1.00 0.00 C ATOM 1823 OG1 THR B 25 -7.054 0.646 16.625 1.00 0.00 O ATOM 1824 CG2 THR B 25 -6.885 2.155 14.746 1.00 0.00 C ATOM 0 H THR B 25 -5.151 -0.983 16.485 1.00 0.00 H new ATOM 0 HA THR B 25 -6.684 -0.427 14.117 1.00 0.00 H new ATOM 0 HB THR B 25 -5.272 1.512 15.981 1.00 0.00 H new ATOM 0 HG1 THR B 25 -7.324 -0.282 16.464 1.00 0.00 H new ATOM 0 HG21 THR B 25 -7.138 2.999 15.388 1.00 0.00 H new ATOM 0 HG22 THR B 25 -6.223 2.492 13.948 1.00 0.00 H new ATOM 0 HG23 THR B 25 -7.796 1.744 14.312 1.00 0.00 H new ATOM 1832 N ALA B 26 -3.450 0.092 14.111 1.00 0.00 N ATOM 1833 CA ALA B 26 -2.323 0.300 13.201 1.00 0.00 C ATOM 1834 C ALA B 26 -2.375 -0.715 12.069 1.00 0.00 C ATOM 1835 O ALA B 26 -2.092 -0.397 10.915 1.00 0.00 O ATOM 1836 CB ALA B 26 -1.000 0.190 13.942 1.00 0.00 C ATOM 0 H ALA B 26 -3.186 -0.174 15.060 1.00 0.00 H new ATOM 0 HA ALA B 26 -2.398 1.305 12.785 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.178 0.348 13.244 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.959 0.944 14.728 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -0.913 -0.802 14.386 1.00 0.00 H new ATOM 1842 N ALA B 27 -2.752 -1.940 12.412 1.00 0.00 N ATOM 1843 CA ALA B 27 -2.918 -2.987 11.420 1.00 0.00 C ATOM 1844 C ALA B 27 -4.109 -2.679 10.519 1.00 0.00 C ATOM 1845 O ALA B 27 -4.061 -2.908 9.316 1.00 0.00 O ATOM 1846 CB ALA B 27 -3.091 -4.336 12.100 1.00 0.00 C ATOM 0 H ALA B 27 -2.948 -2.230 13.370 1.00 0.00 H new ATOM 0 HA ALA B 27 -2.022 -3.028 10.801 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -3.214 -5.111 11.344 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -2.210 -4.555 12.704 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -3.973 -4.310 12.740 1.00 0.00 H new ATOM 1852 N GLU B 28 -5.165 -2.133 11.113 1.00 0.00 N ATOM 1853 CA GLU B 28 -6.372 -1.766 10.375 1.00 0.00 C ATOM 1854 C GLU B 28 -6.072 -0.708 9.311 1.00 0.00 C ATOM 1855 O GLU B 28 -6.556 -0.803 8.185 1.00 0.00 O ATOM 1856 CB GLU B 28 -7.444 -1.244 11.340 1.00 0.00 C ATOM 1857 CG GLU B 28 -8.714 -0.768 10.653 1.00 0.00 C ATOM 1858 CD GLU B 28 -9.444 -1.877 9.921 1.00 0.00 C ATOM 1859 OE1 GLU B 28 -10.183 -2.638 10.575 1.00 0.00 O ATOM 1860 OE2 GLU B 28 -9.298 -1.985 8.691 1.00 0.00 O ATOM 0 H GLU B 28 -5.210 -1.933 12.112 1.00 0.00 H new ATOM 0 HA GLU B 28 -6.742 -2.660 9.873 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -7.699 -2.035 12.046 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -7.027 -0.421 11.920 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -9.381 -0.331 11.397 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -8.463 0.023 9.946 1.00 0.00 H new ATOM 1867 N ASP B 29 -5.266 0.287 9.666 1.00 0.00 N ATOM 1868 CA ASP B 29 -4.946 1.380 8.747 1.00 0.00 C ATOM 1869 C ASP B 29 -4.283 0.852 7.475 1.00 0.00 C ATOM 1870 O ASP B 29 -4.755 1.104 6.362 1.00 0.00 O ATOM 1871 CB ASP B 29 -4.031 2.397 9.426 1.00 0.00 C ATOM 1872 CG ASP B 29 -3.861 3.656 8.599 1.00 0.00 C ATOM 1873 OD1 ASP B 29 -2.939 3.702 7.763 1.00 0.00 O ATOM 1874 OD2 ASP B 29 -4.657 4.604 8.796 1.00 0.00 O ATOM 0 H ASP B 29 -4.822 0.362 10.581 1.00 0.00 H new ATOM 0 HA ASP B 29 -5.880 1.869 8.471 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -4.441 2.658 10.402 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -3.055 1.945 9.601 1.00 0.00 H new ATOM 1879 N VAL B 30 -3.213 0.085 7.646 1.00 0.00 N ATOM 1880 CA VAL B 30 -2.496 -0.484 6.509 1.00 0.00 C ATOM 1881 C VAL B 30 -3.361 -1.526 5.790 1.00 0.00 C ATOM 1882 O VAL B 30 -3.312 -1.658 4.563 1.00 0.00 O ATOM 1883 CB VAL B 30 -1.147 -1.105 6.944 1.00 0.00 C ATOM 1884 CG1 VAL B 30 -1.346 -2.294 7.872 1.00 0.00 C ATOM 1885 CG2 VAL B 30 -0.314 -1.502 5.731 1.00 0.00 C ATOM 0 H VAL B 30 -2.823 -0.157 8.557 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.280 0.328 5.815 1.00 0.00 H new ATOM 0 HB VAL B 30 -0.604 -0.341 7.501 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -0.375 -2.702 8.155 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -1.879 -1.972 8.767 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.927 -3.062 7.360 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.629 -1.936 6.063 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.861 -2.235 5.138 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.113 -0.620 5.123 1.00 0.00 H new ATOM 1895 N ARG B 31 -4.161 -2.249 6.564 1.00 0.00 N ATOM 1896 CA ARG B 31 -5.110 -3.212 6.015 1.00 0.00 C ATOM 1897 C ARG B 31 -6.114 -2.510 5.109 1.00 0.00 C ATOM 1898 O ARG B 31 -6.439 -3.005 4.029 1.00 0.00 O ATOM 1899 CB ARG B 31 -5.821 -3.956 7.158 1.00 0.00 C ATOM 1900 CG ARG B 31 -6.958 -4.876 6.728 1.00 0.00 C ATOM 1901 CD ARG B 31 -8.299 -4.159 6.736 1.00 0.00 C ATOM 1902 NE ARG B 31 -9.404 -5.052 6.400 1.00 0.00 N ATOM 1903 CZ ARG B 31 -10.626 -4.949 6.919 1.00 0.00 C ATOM 1904 NH1 ARG B 31 -10.909 -3.978 7.784 1.00 0.00 N ATOM 1905 NH2 ARG B 31 -11.570 -5.815 6.567 1.00 0.00 N ATOM 0 H ARG B 31 -4.172 -2.186 7.582 1.00 0.00 H new ATOM 0 HA ARG B 31 -4.570 -3.943 5.413 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -5.082 -4.547 7.700 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -6.216 -3.220 7.858 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -6.757 -5.259 5.728 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -7.002 -5.736 7.396 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -8.471 -3.725 7.721 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -8.272 -3.334 6.025 1.00 0.00 H new ATOM 0 HE ARG B 31 -9.230 -5.799 5.728 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -10.188 -3.308 8.052 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -11.847 -3.904 8.178 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -11.358 -6.557 5.900 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -12.507 -5.738 6.964 1.00 0.00 H new ATOM 1919 N LYS B 32 -6.581 -1.351 5.548 1.00 0.00 N ATOM 1920 CA LYS B 32 -7.559 -0.569 4.804 1.00 0.00 C ATOM 1921 C LYS B 32 -7.034 -0.251 3.409 1.00 0.00 C ATOM 1922 O LYS B 32 -7.742 -0.414 2.416 1.00 0.00 O ATOM 1923 CB LYS B 32 -7.864 0.727 5.560 1.00 0.00 C ATOM 1924 CG LYS B 32 -9.089 1.474 5.058 1.00 0.00 C ATOM 1925 CD LYS B 32 -10.366 0.688 5.310 1.00 0.00 C ATOM 1926 CE LYS B 32 -10.561 0.381 6.790 1.00 0.00 C ATOM 1927 NZ LYS B 32 -11.828 -0.359 7.043 1.00 0.00 N ATOM 0 H LYS B 32 -6.293 -0.926 6.429 1.00 0.00 H new ATOM 0 HA LYS B 32 -8.475 -1.151 4.704 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -8.003 0.493 6.615 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -6.998 1.386 5.491 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -9.154 2.443 5.554 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -8.985 1.668 3.990 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -11.220 1.255 4.941 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -10.336 -0.245 4.747 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -9.718 -0.208 7.152 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -10.566 1.312 7.356 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -11.922 -0.548 8.061 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -12.634 0.213 6.721 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -11.813 -1.260 6.524 1.00 0.00 H new ATOM 1941 N ILE B 33 -5.782 0.190 3.354 1.00 0.00 N ATOM 1942 CA ILE B 33 -5.128 0.524 2.091 1.00 0.00 C ATOM 1943 C ILE B 33 -4.976 -0.716 1.216 1.00 0.00 C ATOM 1944 O ILE B 33 -5.409 -0.742 0.061 1.00 0.00 O ATOM 1945 CB ILE B 33 -3.727 1.131 2.330 1.00 0.00 C ATOM 1946 CG1 ILE B 33 -3.793 2.244 3.380 1.00 0.00 C ATOM 1947 CG2 ILE B 33 -3.157 1.669 1.023 1.00 0.00 C ATOM 1948 CD1 ILE B 33 -2.432 2.753 3.805 1.00 0.00 C ATOM 0 H ILE B 33 -5.194 0.326 4.176 1.00 0.00 H new ATOM 0 HA ILE B 33 -5.759 1.257 1.588 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.069 0.346 2.703 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -4.375 3.075 2.981 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -4.324 1.875 4.257 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -2.170 2.094 1.204 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -3.075 0.857 0.300 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -3.818 2.441 0.628 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -2.554 3.539 4.550 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -1.855 1.934 4.233 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -1.906 3.153 2.938 1.00 0.00 H new ATOM 1960 N ALA B 34 -4.381 -1.753 1.789 1.00 0.00 N ATOM 1961 CA ALA B 34 -4.054 -2.968 1.050 1.00 0.00 C ATOM 1962 C ALA B 34 -5.300 -3.693 0.535 1.00 0.00 C ATOM 1963 O ALA B 34 -5.305 -4.201 -0.582 1.00 0.00 O ATOM 1964 CB ALA B 34 -3.216 -3.892 1.915 1.00 0.00 C ATOM 0 H ALA B 34 -4.112 -1.778 2.773 1.00 0.00 H new ATOM 0 HA ALA B 34 -3.478 -2.672 0.173 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -2.977 -4.796 1.356 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -2.293 -3.386 2.200 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -3.776 -4.158 2.812 1.00 0.00 H new ATOM 1970 N THR B 35 -6.353 -3.729 1.338 1.00 0.00 N ATOM 1971 CA THR B 35 -7.574 -4.417 0.942 1.00 0.00 C ATOM 1972 C THR B 35 -8.233 -3.712 -0.247 1.00 0.00 C ATOM 1973 O THR B 35 -8.830 -4.354 -1.113 1.00 0.00 O ATOM 1974 CB THR B 35 -8.567 -4.495 2.116 1.00 0.00 C ATOM 1975 OG1 THR B 35 -7.916 -5.054 3.262 1.00 0.00 O ATOM 1976 CG2 THR B 35 -9.775 -5.345 1.760 1.00 0.00 C ATOM 0 H THR B 35 -6.388 -3.294 2.260 1.00 0.00 H new ATOM 0 HA THR B 35 -7.302 -5.430 0.646 1.00 0.00 H new ATOM 0 HB THR B 35 -8.909 -3.484 2.337 1.00 0.00 H new ATOM 0 HG1 THR B 35 -7.195 -4.457 3.553 1.00 0.00 H new ATOM 0 HG21 THR B 35 -10.458 -5.381 2.609 1.00 0.00 H new ATOM 0 HG22 THR B 35 -10.286 -4.909 0.902 1.00 0.00 H new ATOM 0 HG23 THR B 35 -9.449 -6.356 1.514 1.00 0.00 H new ATOM 1984 N ALA B 36 -8.091 -2.393 -0.307 1.00 0.00 N ATOM 1985 CA ALA B 36 -8.691 -1.612 -1.379 1.00 0.00 C ATOM 1986 C ALA B 36 -7.966 -1.836 -2.703 1.00 0.00 C ATOM 1987 O ALA B 36 -8.600 -1.993 -3.751 1.00 0.00 O ATOM 1988 CB ALA B 36 -8.699 -0.136 -1.015 1.00 0.00 C ATOM 0 H ALA B 36 -7.566 -1.844 0.374 1.00 0.00 H new ATOM 0 HA ALA B 36 -9.720 -1.948 -1.505 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -9.150 0.436 -1.826 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -9.276 0.010 -0.102 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -7.676 0.205 -0.856 1.00 0.00 H new ATOM 1994 N LEU B 37 -6.638 -1.866 -2.659 1.00 0.00 N ATOM 1995 CA LEU B 37 -5.850 -2.061 -3.866 1.00 0.00 C ATOM 1996 C LEU B 37 -5.960 -3.501 -4.359 1.00 0.00 C ATOM 1997 O LEU B 37 -5.924 -3.764 -5.558 1.00 0.00 O ATOM 1998 CB LEU B 37 -4.388 -1.652 -3.626 1.00 0.00 C ATOM 1999 CG LEU B 37 -3.617 -2.428 -2.546 1.00 0.00 C ATOM 2000 CD1 LEU B 37 -2.994 -3.700 -3.114 1.00 0.00 C ATOM 2001 CD2 LEU B 37 -2.543 -1.546 -1.931 1.00 0.00 C ATOM 0 H LEU B 37 -6.090 -1.758 -1.806 1.00 0.00 H new ATOM 0 HA LEU B 37 -6.249 -1.418 -4.650 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -3.848 -1.754 -4.567 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -4.371 -0.595 -3.362 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.326 -2.719 -1.771 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -2.456 -4.225 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.779 -4.345 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -2.301 -3.440 -3.914 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.004 -2.107 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.846 -1.227 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.007 -0.670 -1.477 1.00 0.00 H new ATOM 2013 N LEU B 38 -6.124 -4.432 -3.432 1.00 0.00 N ATOM 2014 CA LEU B 38 -6.320 -5.834 -3.781 1.00 0.00 C ATOM 2015 C LEU B 38 -7.612 -5.997 -4.574 1.00 0.00 C ATOM 2016 O LEU B 38 -7.762 -6.916 -5.377 1.00 0.00 O ATOM 2017 CB LEU B 38 -6.375 -6.683 -2.510 1.00 0.00 C ATOM 2018 CG LEU B 38 -6.421 -8.201 -2.726 1.00 0.00 C ATOM 2019 CD1 LEU B 38 -5.161 -8.681 -3.428 1.00 0.00 C ATOM 2020 CD2 LEU B 38 -6.594 -8.916 -1.396 1.00 0.00 C ATOM 0 H LEU B 38 -6.126 -4.243 -2.430 1.00 0.00 H new ATOM 0 HA LEU B 38 -5.484 -6.168 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -5.503 -6.448 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -7.254 -6.389 -1.937 1.00 0.00 H new ATOM 0 HG LEU B 38 -7.275 -8.434 -3.361 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -5.213 -9.760 -3.572 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.075 -8.190 -4.397 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -4.290 -8.438 -2.819 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -6.625 -9.993 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -5.757 -8.674 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.525 -8.594 -0.928 1.00 0.00 H new ATOM 2032 N LYS B 39 -8.533 -5.080 -4.343 1.00 0.00 N ATOM 2033 CA LYS B 39 -9.840 -5.135 -4.963 1.00 0.00 C ATOM 2034 C LYS B 39 -9.862 -4.375 -6.294 1.00 0.00 C ATOM 2035 O LYS B 39 -10.405 -4.867 -7.286 1.00 0.00 O ATOM 2036 CB LYS B 39 -10.880 -4.549 -4.003 1.00 0.00 C ATOM 2037 CG LYS B 39 -12.260 -5.193 -4.092 1.00 0.00 C ATOM 2038 CD LYS B 39 -12.935 -4.933 -5.431 1.00 0.00 C ATOM 2039 CE LYS B 39 -14.262 -5.667 -5.547 1.00 0.00 C ATOM 2040 NZ LYS B 39 -14.091 -7.142 -5.455 1.00 0.00 N ATOM 0 H LYS B 39 -8.396 -4.281 -3.724 1.00 0.00 H new ATOM 0 HA LYS B 39 -10.078 -6.177 -5.175 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -10.511 -4.651 -2.982 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -10.978 -3.482 -4.202 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -12.167 -6.268 -3.937 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -12.890 -4.809 -3.290 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -13.100 -3.862 -5.553 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -12.274 -5.248 -6.238 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -14.934 -5.330 -4.757 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -14.734 -5.415 -6.496 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -14.944 -7.614 -5.818 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -13.267 -7.432 -6.020 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -13.942 -7.413 -4.462 1.00 0.00 H new ATOM 2054 N THR B 40 -9.267 -3.184 -6.328 1.00 0.00 N ATOM 2055 CA THR B 40 -9.459 -2.297 -7.472 1.00 0.00 C ATOM 2056 C THR B 40 -8.152 -1.688 -8.005 1.00 0.00 C ATOM 2057 O THR B 40 -8.156 -0.579 -8.542 1.00 0.00 O ATOM 2058 CB THR B 40 -10.428 -1.156 -7.096 1.00 0.00 C ATOM 2059 OG1 THR B 40 -11.276 -1.571 -6.013 1.00 0.00 O ATOM 2060 CG2 THR B 40 -11.293 -0.764 -8.287 1.00 0.00 C ATOM 0 H THR B 40 -8.661 -2.817 -5.594 1.00 0.00 H new ATOM 0 HA THR B 40 -9.873 -2.915 -8.268 1.00 0.00 H new ATOM 0 HB THR B 40 -9.835 -0.294 -6.792 1.00 0.00 H new ATOM 0 HG1 THR B 40 -11.887 -0.842 -5.778 1.00 0.00 H new ATOM 0 HG21 THR B 40 -11.968 0.042 -7.997 1.00 0.00 H new ATOM 0 HG22 THR B 40 -10.656 -0.427 -9.105 1.00 0.00 H new ATOM 0 HG23 THR B 40 -11.876 -1.626 -8.613 1.00 0.00 H new ATOM 2068 N ALA B 41 -7.043 -2.407 -7.888 1.00 0.00 N ATOM 2069 CA ALA B 41 -5.777 -1.939 -8.459 1.00 0.00 C ATOM 2070 C ALA B 41 -5.278 -2.903 -9.528 1.00 0.00 C ATOM 2071 O ALA B 41 -4.073 -3.055 -9.744 1.00 0.00 O ATOM 2072 CB ALA B 41 -4.730 -1.762 -7.372 1.00 0.00 C ATOM 0 H ALA B 41 -6.989 -3.306 -7.410 1.00 0.00 H new ATOM 0 HA ALA B 41 -5.954 -0.970 -8.926 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -3.798 -1.414 -7.818 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -5.080 -1.029 -6.645 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.559 -2.716 -6.872 1.00 0.00 H new ATOM 2078 N ILE B 42 -6.216 -3.543 -10.206 1.00 0.00 N ATOM 2079 CA ILE B 42 -5.893 -4.494 -11.259 1.00 0.00 C ATOM 2080 C ILE B 42 -6.508 -4.030 -12.580 1.00 0.00 C ATOM 2081 O ILE B 42 -7.673 -3.623 -12.614 1.00 0.00 O ATOM 2082 CB ILE B 42 -6.402 -5.912 -10.893 1.00 0.00 C ATOM 2083 CG1 ILE B 42 -5.843 -6.335 -9.528 1.00 0.00 C ATOM 2084 CG2 ILE B 42 -6.012 -6.925 -11.956 1.00 0.00 C ATOM 2085 CD1 ILE B 42 -6.270 -7.720 -9.091 1.00 0.00 C ATOM 0 H ILE B 42 -7.216 -3.420 -10.045 1.00 0.00 H new ATOM 0 HA ILE B 42 -4.810 -4.542 -11.368 1.00 0.00 H new ATOM 0 HB ILE B 42 -7.490 -5.880 -10.840 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -4.754 -6.296 -9.565 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -6.163 -5.613 -8.776 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -6.382 -7.910 -11.673 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -6.447 -6.635 -12.912 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -4.926 -6.958 -12.047 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -5.834 -7.945 -8.118 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -7.357 -7.760 -9.020 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -5.927 -8.454 -9.820 1.00 0.00 H new ATOM 2097 N GLU B 43 -5.729 -4.073 -13.659 1.00 0.00 N ATOM 2098 CA GLU B 43 -6.172 -3.538 -14.940 1.00 0.00 C ATOM 2099 C GLU B 43 -6.516 -4.660 -15.915 1.00 0.00 C ATOM 2100 O GLU B 43 -5.975 -5.762 -15.827 1.00 0.00 O ATOM 2101 CB GLU B 43 -5.083 -2.653 -15.557 1.00 0.00 C ATOM 2102 CG GLU B 43 -3.878 -3.433 -16.068 1.00 0.00 C ATOM 2103 CD GLU B 43 -2.831 -2.550 -16.712 1.00 0.00 C ATOM 2104 OE1 GLU B 43 -3.190 -1.500 -17.284 1.00 0.00 O ATOM 2105 OE2 GLU B 43 -1.630 -2.897 -16.649 1.00 0.00 O ATOM 0 H GLU B 43 -4.790 -4.472 -13.670 1.00 0.00 H new ATOM 0 HA GLU B 43 -7.066 -2.943 -14.756 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -5.513 -2.084 -16.381 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -4.748 -1.931 -14.812 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -3.426 -3.977 -15.239 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -4.213 -4.176 -16.791 1.00 0.00 H new ATOM 2112 N ILE B 44 -7.412 -4.371 -16.844 1.00 0.00 N ATOM 2113 CA ILE B 44 -7.746 -5.309 -17.894 1.00 0.00 C ATOM 2114 C ILE B 44 -7.229 -4.806 -19.238 1.00 0.00 C ATOM 2115 O ILE B 44 -7.718 -3.813 -19.776 1.00 0.00 O ATOM 2116 CB ILE B 44 -9.271 -5.539 -17.984 1.00 0.00 C ATOM 2117 CG1 ILE B 44 -10.038 -4.217 -17.868 1.00 0.00 C ATOM 2118 CG2 ILE B 44 -9.731 -6.518 -16.918 1.00 0.00 C ATOM 2119 CD1 ILE B 44 -11.538 -4.363 -18.035 1.00 0.00 C ATOM 0 H ILE B 44 -7.922 -3.489 -16.889 1.00 0.00 H new ATOM 0 HA ILE B 44 -7.268 -6.258 -17.649 1.00 0.00 H new ATOM 0 HB ILE B 44 -9.486 -5.968 -18.963 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -9.832 -3.772 -16.894 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -9.664 -3.523 -18.621 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -10.808 -6.665 -17.000 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -9.223 -7.472 -17.057 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -9.493 -6.120 -15.932 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -12.011 -3.386 -17.940 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -11.756 -4.778 -19.019 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -11.926 -5.031 -17.266 1.00 0.00 H new ATOM 2131 N VAL B 45 -6.235 -5.492 -19.777 1.00 0.00 N ATOM 2132 CA VAL B 45 -5.695 -5.148 -21.081 1.00 0.00 C ATOM 2133 C VAL B 45 -6.127 -6.174 -22.125 1.00 0.00 C ATOM 2134 O VAL B 45 -5.667 -7.318 -22.132 1.00 0.00 O ATOM 2135 CB VAL B 45 -4.151 -5.011 -21.060 1.00 0.00 C ATOM 2136 CG1 VAL B 45 -3.743 -3.725 -20.357 1.00 0.00 C ATOM 2137 CG2 VAL B 45 -3.494 -6.210 -20.386 1.00 0.00 C ATOM 0 H VAL B 45 -5.785 -6.291 -19.331 1.00 0.00 H new ATOM 0 HA VAL B 45 -6.100 -4.173 -21.351 1.00 0.00 H new ATOM 0 HB VAL B 45 -3.807 -4.977 -22.094 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -2.656 -3.643 -20.350 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -4.168 -2.871 -20.885 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -4.112 -3.738 -19.332 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -2.412 -6.081 -20.389 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -3.848 -6.288 -19.358 1.00 0.00 H new ATOM 0 HG23 VAL B 45 -3.752 -7.119 -20.929 1.00 0.00 H new ATOM 2147 N SER B 46 -7.044 -5.770 -22.984 1.00 0.00 N ATOM 2148 CA SER B 46 -7.564 -6.650 -24.014 1.00 0.00 C ATOM 2149 C SER B 46 -7.033 -6.231 -25.382 1.00 0.00 C ATOM 2150 O SER B 46 -6.955 -5.039 -25.685 1.00 0.00 O ATOM 2151 CB SER B 46 -9.094 -6.616 -23.995 1.00 0.00 C ATOM 2152 OG SER B 46 -9.584 -6.827 -22.677 1.00 0.00 O ATOM 0 H SER B 46 -7.446 -4.833 -22.989 1.00 0.00 H new ATOM 0 HA SER B 46 -7.233 -7.670 -23.817 1.00 0.00 H new ATOM 0 HB2 SER B 46 -9.446 -5.655 -24.370 1.00 0.00 H new ATOM 0 HB3 SER B 46 -9.488 -7.382 -24.662 1.00 0.00 H new ATOM 0 HG SER B 46 -10.564 -6.800 -22.684 1.00 0.00 H new ATOM 2158 N GLU B 47 -6.657 -7.208 -26.196 1.00 0.00 N ATOM 2159 CA GLU B 47 -6.112 -6.919 -27.516 1.00 0.00 C ATOM 2160 C GLU B 47 -7.217 -6.502 -28.471 1.00 0.00 C ATOM 2161 O GLU B 47 -8.392 -6.801 -28.246 1.00 0.00 O ATOM 2162 CB GLU B 47 -5.348 -8.115 -28.087 1.00 0.00 C ATOM 2163 CG GLU B 47 -4.016 -8.378 -27.399 1.00 0.00 C ATOM 2164 CD GLU B 47 -3.125 -7.153 -27.376 1.00 0.00 C ATOM 2165 OE1 GLU B 47 -2.674 -6.714 -28.458 1.00 0.00 O ATOM 2166 OE2 GLU B 47 -2.877 -6.612 -26.282 1.00 0.00 O ATOM 0 H GLU B 47 -6.718 -8.200 -25.968 1.00 0.00 H new ATOM 0 HA GLU B 47 -5.408 -6.094 -27.404 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -5.971 -9.005 -28.004 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -5.171 -7.948 -29.149 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.198 -8.711 -26.377 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -3.500 -9.190 -27.911 1.00 0.00 H new ATOM 2173 N GLU B 48 -6.828 -5.803 -29.529 1.00 0.00 N ATOM 2174 CA GLU B 48 -7.770 -5.318 -30.527 1.00 0.00 C ATOM 2175 C GLU B 48 -8.557 -6.475 -31.141 1.00 0.00 C ATOM 2176 O GLU B 48 -9.749 -6.351 -31.427 1.00 0.00 O ATOM 2177 CB GLU B 48 -7.017 -4.530 -31.600 1.00 0.00 C ATOM 2178 CG GLU B 48 -7.913 -3.820 -32.598 1.00 0.00 C ATOM 2179 CD GLU B 48 -7.153 -2.802 -33.419 1.00 0.00 C ATOM 2180 OE1 GLU B 48 -6.398 -3.204 -34.324 1.00 0.00 O ATOM 2181 OE2 GLU B 48 -7.292 -1.592 -33.145 1.00 0.00 O ATOM 0 H GLU B 48 -5.856 -5.558 -29.718 1.00 0.00 H new ATOM 0 HA GLU B 48 -8.489 -4.655 -30.046 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -6.380 -3.792 -31.112 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -6.360 -5.211 -32.140 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -8.368 -4.554 -33.262 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -8.725 -3.324 -32.067 1.00 0.00 H new ATOM 2188 N ASP B 49 -7.887 -7.606 -31.324 1.00 0.00 N ATOM 2189 CA ASP B 49 -8.551 -8.816 -31.798 1.00 0.00 C ATOM 2190 C ASP B 49 -9.075 -9.626 -30.615 1.00 0.00 C ATOM 2191 O ASP B 49 -10.284 -9.774 -30.438 1.00 0.00 O ATOM 2192 CB ASP B 49 -7.599 -9.674 -32.639 1.00 0.00 C ATOM 2193 CG ASP B 49 -8.264 -10.931 -33.174 1.00 0.00 C ATOM 2194 OD1 ASP B 49 -8.284 -11.956 -32.457 1.00 0.00 O ATOM 2195 OD2 ASP B 49 -8.764 -10.905 -34.317 1.00 0.00 O ATOM 0 H ASP B 49 -6.887 -7.712 -31.152 1.00 0.00 H new ATOM 0 HA ASP B 49 -9.389 -8.517 -32.428 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -7.224 -9.082 -33.474 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -6.737 -9.953 -32.034 1.00 0.00 H new ATOM 2200 N GLY B 50 -8.159 -10.139 -29.801 1.00 0.00 N ATOM 2201 CA GLY B 50 -8.549 -10.927 -28.650 1.00 0.00 C ATOM 2202 C GLY B 50 -7.932 -10.425 -27.362 1.00 0.00 C ATOM 2203 O GLY B 50 -8.532 -9.604 -26.659 1.00 0.00 O ATOM 0 H GLY B 50 -7.153 -10.022 -29.919 1.00 0.00 H new ATOM 0 HA2 GLY B 50 -9.635 -10.914 -28.557 1.00 0.00 H new ATOM 0 HA3 GLY B 50 -8.255 -11.965 -28.809 1.00 0.00 H new ATOM 2207 N GLY B 51 -6.717 -10.888 -27.079 1.00 0.00 N ATOM 2208 CA GLY B 51 -6.048 -10.563 -25.843 1.00 0.00 C ATOM 2209 C GLY B 51 -6.872 -10.892 -24.629 1.00 0.00 C ATOM 2210 O GLY B 51 -7.245 -12.042 -24.398 1.00 0.00 O ATOM 0 H GLY B 51 -6.181 -11.493 -27.701 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -5.104 -11.105 -25.793 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -5.806 -9.500 -25.835 1.00 0.00 H new ATOM 2214 N ALA B 52 -7.103 -9.852 -23.854 1.00 0.00 N ATOM 2215 CA ALA B 52 -7.921 -9.885 -22.645 1.00 0.00 C ATOM 2216 C ALA B 52 -7.164 -10.505 -21.478 1.00 0.00 C ATOM 2217 O ALA B 52 -7.274 -11.697 -21.194 1.00 0.00 O ATOM 2218 CB ALA B 52 -9.254 -10.596 -22.874 1.00 0.00 C ATOM 0 H ALA B 52 -6.717 -8.928 -24.049 1.00 0.00 H new ATOM 0 HA ALA B 52 -8.146 -8.850 -22.387 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -9.830 -10.597 -21.948 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -9.815 -10.076 -23.650 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -9.069 -11.624 -23.187 1.00 0.00 H new ATOM 2224 N HIS B 53 -6.375 -9.678 -20.811 1.00 0.00 N ATOM 2225 CA HIS B 53 -5.610 -10.102 -19.652 1.00 0.00 C ATOM 2226 C HIS B 53 -5.842 -9.150 -18.486 1.00 0.00 C ATOM 2227 O HIS B 53 -5.583 -7.953 -18.590 1.00 0.00 O ATOM 2228 CB HIS B 53 -4.118 -10.182 -19.991 1.00 0.00 C ATOM 2229 CG HIS B 53 -3.756 -11.447 -20.701 1.00 0.00 C ATOM 2230 ND1 HIS B 53 -3.067 -12.470 -20.093 1.00 0.00 N ATOM 2231 CD2 HIS B 53 -4.027 -11.875 -21.959 1.00 0.00 C ATOM 2232 CE1 HIS B 53 -2.940 -13.474 -20.935 1.00 0.00 C ATOM 2233 NE2 HIS B 53 -3.512 -13.138 -22.073 1.00 0.00 N ATOM 0 H HIS B 53 -6.248 -8.697 -21.058 1.00 0.00 H new ATOM 0 HA HIS B 53 -5.949 -11.096 -19.360 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -3.844 -9.330 -20.613 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -3.536 -10.106 -19.072 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -4.550 -11.323 -22.726 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -2.450 -14.414 -20.728 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -3.563 -13.725 -22.906 1.00 0.00 H new ATOM 2242 N ASN B 54 -6.352 -9.687 -17.394 1.00 0.00 N ATOM 2243 CA ASN B 54 -6.590 -8.911 -16.189 1.00 0.00 C ATOM 2244 C ASN B 54 -5.404 -9.086 -15.257 1.00 0.00 C ATOM 2245 O ASN B 54 -5.211 -10.155 -14.679 1.00 0.00 O ATOM 2246 CB ASN B 54 -7.875 -9.385 -15.508 1.00 0.00 C ATOM 2247 CG ASN B 54 -8.265 -8.543 -14.310 1.00 0.00 C ATOM 2248 OD1 ASN B 54 -8.008 -7.343 -14.265 1.00 0.00 O ATOM 2249 ND2 ASN B 54 -8.899 -9.168 -13.329 1.00 0.00 N ATOM 0 H ASN B 54 -6.613 -10.670 -17.316 1.00 0.00 H new ATOM 0 HA ASN B 54 -6.705 -7.857 -16.441 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -8.689 -9.371 -16.233 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -7.749 -10.420 -15.190 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -9.191 -8.651 -12.500 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -9.095 -10.166 -13.403 1.00 0.00 H new ATOM 2256 N GLN B 55 -4.598 -8.050 -15.136 1.00 0.00 N ATOM 2257 CA GLN B 55 -3.347 -8.151 -14.412 1.00 0.00 C ATOM 2258 C GLN B 55 -3.080 -6.903 -13.592 1.00 0.00 C ATOM 2259 O GLN B 55 -3.457 -5.795 -13.972 1.00 0.00 O ATOM 2260 CB GLN B 55 -2.195 -8.389 -15.388 1.00 0.00 C ATOM 2261 CG GLN B 55 -2.101 -7.349 -16.496 1.00 0.00 C ATOM 2262 CD GLN B 55 -0.979 -7.636 -17.473 1.00 0.00 C ATOM 2263 OE1 GLN B 55 -0.655 -8.908 -17.648 1.00 0.00 O flip ATOM 2264 NE2 GLN B 55 -0.406 -6.721 -18.065 1.00 0.00 N flip ATOM 0 H GLN B 55 -4.787 -7.128 -15.530 1.00 0.00 H new ATOM 0 HA GLN B 55 -3.423 -8.995 -13.727 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -1.257 -8.400 -14.832 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -2.310 -9.375 -15.838 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -3.047 -7.313 -17.036 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -1.949 -6.365 -16.053 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -0.686 -5.754 -17.902 1.00 0.00 H new ATOM 0 HE22 GLN B 55 0.349 -6.930 -18.719 1.00 0.00 H new ATOM 2273 N CYS B 56 -2.451 -7.091 -12.448 1.00 0.00 N ATOM 2274 CA CYS B 56 -2.020 -5.972 -11.635 1.00 0.00 C ATOM 2275 C CYS B 56 -0.665 -5.486 -12.132 1.00 0.00 C ATOM 2276 O CYS B 56 0.157 -6.289 -12.576 1.00 0.00 O ATOM 2277 CB CYS B 56 -1.942 -6.375 -10.161 1.00 0.00 C ATOM 2278 SG CYS B 56 -1.514 -5.019 -9.043 1.00 0.00 S ATOM 0 H CYS B 56 -2.227 -8.008 -12.061 1.00 0.00 H new ATOM 0 HA CYS B 56 -2.746 -5.163 -11.721 1.00 0.00 H new ATOM 0 HB2 CYS B 56 -2.903 -6.791 -9.858 1.00 0.00 H new ATOM 0 HB3 CYS B 56 -1.203 -7.168 -10.052 1.00 0.00 H new ATOM 0 HG CYS B 56 -2.395 -4.070 -9.155 1.00 0.00 H new ATOM 2284 N LYS B 57 -0.440 -4.177 -12.050 1.00 0.00 N ATOM 2285 CA LYS B 57 0.805 -3.568 -12.530 1.00 0.00 C ATOM 2286 C LYS B 57 2.031 -4.242 -11.928 1.00 0.00 C ATOM 2287 O LYS B 57 3.044 -4.432 -12.598 1.00 0.00 O ATOM 2288 CB LYS B 57 0.842 -2.084 -12.174 1.00 0.00 C ATOM 2289 CG LYS B 57 -0.207 -1.243 -12.872 1.00 0.00 C ATOM 2290 CD LYS B 57 0.003 -1.229 -14.373 1.00 0.00 C ATOM 2291 CE LYS B 57 -0.889 -0.203 -15.043 1.00 0.00 C ATOM 2292 NZ LYS B 57 -0.776 -0.258 -16.522 1.00 0.00 N ATOM 0 H LYS B 57 -1.105 -3.512 -11.654 1.00 0.00 H new ATOM 0 HA LYS B 57 0.827 -3.698 -13.612 1.00 0.00 H new ATOM 0 HB2 LYS B 57 0.716 -1.979 -11.096 1.00 0.00 H new ATOM 0 HB3 LYS B 57 1.828 -1.689 -12.419 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -1.199 -1.634 -12.646 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -0.172 -0.223 -12.489 1.00 0.00 H new ATOM 0 HD2 LYS B 57 1.047 -1.007 -14.594 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -0.206 -2.218 -14.781 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -1.925 -0.375 -14.751 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -0.621 0.795 -14.695 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -1.576 0.249 -16.950 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 0.116 0.188 -16.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -0.788 -1.250 -16.834 1.00 0.00 H new ATOM 2306 N LEU B 58 1.919 -4.600 -10.661 1.00 0.00 N ATOM 2307 CA LEU B 58 3.033 -5.172 -9.917 1.00 0.00 C ATOM 2308 C LEU B 58 3.132 -6.685 -10.112 1.00 0.00 C ATOM 2309 O LEU B 58 3.931 -7.350 -9.453 1.00 0.00 O ATOM 2310 CB LEU B 58 2.869 -4.825 -8.439 1.00 0.00 C ATOM 2311 CG LEU B 58 3.070 -3.343 -8.107 1.00 0.00 C ATOM 2312 CD1 LEU B 58 2.121 -2.905 -7.002 1.00 0.00 C ATOM 2313 CD2 LEU B 58 4.512 -3.089 -7.698 1.00 0.00 C ATOM 0 H LEU B 58 1.060 -4.504 -10.119 1.00 0.00 H new ATOM 0 HA LEU B 58 3.962 -4.746 -10.296 1.00 0.00 H new ATOM 0 HB2 LEU B 58 1.871 -5.124 -8.117 1.00 0.00 H new ATOM 0 HB3 LEU B 58 3.580 -5.414 -7.860 1.00 0.00 H new ATOM 0 HG LEU B 58 2.849 -2.756 -8.999 1.00 0.00 H new ATOM 0 HD11 LEU B 58 2.281 -1.849 -6.782 1.00 0.00 H new ATOM 0 HD12 LEU B 58 1.091 -3.056 -7.326 1.00 0.00 H new ATOM 0 HD13 LEU B 58 2.310 -3.495 -6.105 1.00 0.00 H new ATOM 0 HD21 LEU B 58 4.643 -2.032 -7.464 1.00 0.00 H new ATOM 0 HD22 LEU B 58 4.752 -3.687 -6.819 1.00 0.00 H new ATOM 0 HD23 LEU B 58 5.176 -3.365 -8.517 1.00 0.00 H new ATOM 2325 N CYS B 59 2.305 -7.216 -11.014 1.00 0.00 N ATOM 2326 CA CYS B 59 2.325 -8.633 -11.370 1.00 0.00 C ATOM 2327 C CYS B 59 1.915 -9.493 -10.179 1.00 0.00 C ATOM 2328 O CYS B 59 2.204 -10.691 -10.126 1.00 0.00 O ATOM 2329 CB CYS B 59 3.712 -9.038 -11.889 1.00 0.00 C ATOM 2330 SG CYS B 59 3.769 -10.660 -12.692 1.00 0.00 S ATOM 0 H CYS B 59 1.603 -6.674 -11.518 1.00 0.00 H new ATOM 0 HA CYS B 59 1.602 -8.798 -12.169 1.00 0.00 H new ATOM 0 HB2 CYS B 59 4.055 -8.284 -12.597 1.00 0.00 H new ATOM 0 HB3 CYS B 59 4.413 -9.035 -11.055 1.00 0.00 H new ATOM 0 HG CYS B 59 3.127 -11.526 -11.966 1.00 0.00 H new ATOM 2336 N GLY B 60 1.216 -8.878 -9.234 1.00 0.00 N ATOM 2337 CA GLY B 60 0.712 -9.615 -8.096 1.00 0.00 C ATOM 2338 C GLY B 60 -0.247 -10.703 -8.522 1.00 0.00 C ATOM 2339 O GLY B 60 -0.265 -11.787 -7.945 1.00 0.00 O ATOM 0 H GLY B 60 0.990 -7.883 -9.237 1.00 0.00 H new ATOM 0 HA2 GLY B 60 1.545 -10.056 -7.549 1.00 0.00 H new ATOM 0 HA3 GLY B 60 0.208 -8.932 -7.412 1.00 0.00 H new ATOM 2343 N ALA B 61 -1.040 -10.408 -9.544 1.00 0.00 N ATOM 2344 CA ALA B 61 -1.978 -11.374 -10.096 1.00 0.00 C ATOM 2345 C ALA B 61 -2.270 -11.053 -11.555 1.00 0.00 C ATOM 2346 O ALA B 61 -2.533 -9.898 -11.895 1.00 0.00 O ATOM 2347 CB ALA B 61 -3.265 -11.395 -9.281 1.00 0.00 C ATOM 0 H ALA B 61 -1.051 -9.500 -10.009 1.00 0.00 H new ATOM 0 HA ALA B 61 -1.527 -12.365 -10.045 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.954 -12.123 -9.708 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -3.039 -11.671 -8.251 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -3.724 -10.406 -9.300 1.00 0.00 H new ATOM 2353 N SER B 62 -2.193 -12.065 -12.407 1.00 0.00 N ATOM 2354 CA SER B 62 -2.505 -11.915 -13.820 1.00 0.00 C ATOM 2355 C SER B 62 -3.337 -13.104 -14.294 1.00 0.00 C ATOM 2356 O SER B 62 -2.929 -14.256 -14.134 1.00 0.00 O ATOM 2357 CB SER B 62 -1.215 -11.821 -14.636 1.00 0.00 C ATOM 2358 OG SER B 62 -0.342 -10.833 -14.106 1.00 0.00 O ATOM 0 H SER B 62 -1.914 -13.009 -12.140 1.00 0.00 H new ATOM 0 HA SER B 62 -3.078 -10.999 -13.962 1.00 0.00 H new ATOM 0 HB2 SER B 62 -0.713 -12.789 -14.640 1.00 0.00 H new ATOM 0 HB3 SER B 62 -1.454 -11.581 -15.672 1.00 0.00 H new ATOM 0 HG SER B 62 0.475 -10.795 -14.646 1.00 0.00 H new ATOM 2364 N VAL B 63 -4.497 -12.826 -14.868 1.00 0.00 N ATOM 2365 CA VAL B 63 -5.409 -13.875 -15.305 1.00 0.00 C ATOM 2366 C VAL B 63 -6.258 -13.379 -16.485 1.00 0.00 C ATOM 2367 O VAL B 63 -6.591 -12.200 -16.545 1.00 0.00 O ATOM 2368 CB VAL B 63 -6.315 -14.322 -14.125 1.00 0.00 C ATOM 2369 CG1 VAL B 63 -7.194 -13.178 -13.642 1.00 0.00 C ATOM 2370 CG2 VAL B 63 -7.152 -15.535 -14.497 1.00 0.00 C ATOM 0 H VAL B 63 -4.832 -11.879 -15.043 1.00 0.00 H new ATOM 0 HA VAL B 63 -4.828 -14.735 -15.637 1.00 0.00 H new ATOM 0 HB VAL B 63 -5.662 -14.612 -13.302 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -7.817 -13.521 -12.816 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -6.566 -12.354 -13.305 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -7.830 -12.838 -14.459 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -7.774 -15.822 -13.649 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -7.788 -15.291 -15.348 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -6.495 -16.363 -14.761 1.00 0.00 H new ATOM 2380 N PRO B 64 -6.565 -14.249 -17.471 1.00 0.00 N ATOM 2381 CA PRO B 64 -7.407 -13.891 -18.624 1.00 0.00 C ATOM 2382 C PRO B 64 -8.750 -13.265 -18.226 1.00 0.00 C ATOM 2383 O PRO B 64 -9.659 -13.958 -17.760 1.00 0.00 O ATOM 2384 CB PRO B 64 -7.635 -15.226 -19.351 1.00 0.00 C ATOM 2385 CG PRO B 64 -7.148 -16.284 -18.416 1.00 0.00 C ATOM 2386 CD PRO B 64 -6.095 -15.635 -17.568 1.00 0.00 C ATOM 0 HA PRO B 64 -6.920 -13.133 -19.238 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -8.690 -15.368 -19.588 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -7.090 -15.256 -20.294 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -7.963 -16.666 -17.801 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -6.739 -17.132 -18.965 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -6.018 -16.106 -16.588 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -5.109 -15.697 -18.029 1.00 0.00 H new ATOM 2394 N TRP B 65 -8.838 -11.945 -18.417 1.00 0.00 N ATOM 2395 CA TRP B 65 -10.052 -11.162 -18.164 1.00 0.00 C ATOM 2396 C TRP B 65 -10.536 -11.298 -16.713 1.00 0.00 C ATOM 2397 O TRP B 65 -9.805 -11.768 -15.842 1.00 0.00 O ATOM 2398 CB TRP B 65 -11.158 -11.560 -19.148 1.00 0.00 C ATOM 2399 CG TRP B 65 -12.010 -10.400 -19.579 1.00 0.00 C ATOM 2400 CD1 TRP B 65 -11.621 -9.351 -20.364 1.00 0.00 C ATOM 2401 CD2 TRP B 65 -13.389 -10.168 -19.257 1.00 0.00 C ATOM 2402 NE1 TRP B 65 -12.668 -8.482 -20.546 1.00 0.00 N ATOM 2403 CE2 TRP B 65 -13.766 -8.962 -19.878 1.00 0.00 C ATOM 2404 CE3 TRP B 65 -14.344 -10.862 -18.507 1.00 0.00 C ATOM 2405 CZ2 TRP B 65 -15.051 -8.436 -19.768 1.00 0.00 C ATOM 2406 CZ3 TRP B 65 -15.619 -10.340 -18.400 1.00 0.00 C ATOM 2407 CH2 TRP B 65 -15.963 -9.137 -19.027 1.00 0.00 C ATOM 0 H TRP B 65 -8.058 -11.383 -18.756 1.00 0.00 H new ATOM 0 HA TRP B 65 -9.803 -10.112 -18.319 1.00 0.00 H new ATOM 0 HB2 TRP B 65 -10.706 -12.017 -20.028 1.00 0.00 H new ATOM 0 HB3 TRP B 65 -11.792 -12.317 -18.686 1.00 0.00 H new ATOM 0 HD1 TRP B 65 -10.633 -9.224 -20.781 1.00 0.00 H new ATOM 0 HE1 TRP B 65 -12.635 -7.620 -21.090 1.00 0.00 H new ATOM 0 HE3 TRP B 65 -14.089 -11.791 -18.019 1.00 0.00 H new ATOM 0 HZ2 TRP B 65 -15.318 -7.507 -20.251 1.00 0.00 H new ATOM 0 HZ3 TRP B 65 -16.363 -10.869 -17.823 1.00 0.00 H new ATOM 0 HH2 TRP B 65 -16.968 -8.755 -18.924 1.00 0.00 H new ATOM 2418 N LEU B 66 -11.764 -10.856 -16.456 1.00 0.00 N ATOM 2419 CA LEU B 66 -12.336 -10.894 -15.117 1.00 0.00 C ATOM 2420 C LEU B 66 -12.741 -12.315 -14.753 1.00 0.00 C ATOM 2421 O LEU B 66 -13.888 -12.722 -14.950 1.00 0.00 O ATOM 2422 CB LEU B 66 -13.542 -9.956 -15.015 1.00 0.00 C ATOM 2423 CG LEU B 66 -13.246 -8.482 -15.302 1.00 0.00 C ATOM 2424 CD1 LEU B 66 -14.526 -7.667 -15.271 1.00 0.00 C ATOM 2425 CD2 LEU B 66 -12.242 -7.927 -14.301 1.00 0.00 C ATOM 0 H LEU B 66 -12.385 -10.465 -17.165 1.00 0.00 H new ATOM 0 HA LEU B 66 -11.577 -10.555 -14.412 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -14.308 -10.298 -15.710 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -13.962 -10.037 -14.012 1.00 0.00 H new ATOM 0 HG LEU B 66 -12.811 -8.411 -16.299 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -14.297 -6.622 -15.477 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -15.215 -8.043 -16.027 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -14.987 -7.750 -14.287 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -12.047 -6.878 -14.525 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -12.647 -8.014 -13.293 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -11.312 -8.491 -14.368 1.00 0.00 H new ATOM 2437 N GLN B 67 -11.777 -13.070 -14.265 1.00 0.00 N ATOM 2438 CA GLN B 67 -11.986 -14.465 -13.912 1.00 0.00 C ATOM 2439 C GLN B 67 -10.976 -14.904 -12.852 1.00 0.00 C ATOM 2440 O GLN B 67 -9.798 -15.038 -13.150 1.00 0.00 O ATOM 2441 CB GLN B 67 -11.840 -15.324 -15.171 1.00 0.00 C ATOM 2442 CG GLN B 67 -11.878 -16.825 -14.920 1.00 0.00 C ATOM 2443 CD GLN B 67 -11.596 -17.636 -16.173 1.00 0.00 C ATOM 2444 OE1 GLN B 67 -10.802 -17.082 -17.080 1.00 0.00 O flip ATOM 2445 NE2 GLN B 67 -12.083 -18.758 -16.325 1.00 0.00 N flip ATOM 0 H GLN B 67 -10.827 -12.737 -14.101 1.00 0.00 H new ATOM 0 HA GLN B 67 -12.987 -14.589 -13.499 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -12.638 -15.065 -15.867 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -10.898 -15.074 -15.659 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -11.145 -17.080 -14.155 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -12.857 -17.099 -14.528 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -12.690 -19.152 -15.606 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -11.879 -19.292 -17.170 1.00 0.00 H new ATOM 2454 N THR B 68 -11.444 -15.100 -11.618 1.00 0.00 N ATOM 2455 CA THR B 68 -10.592 -15.564 -10.518 1.00 0.00 C ATOM 2456 C THR B 68 -9.675 -14.447 -10.004 1.00 0.00 C ATOM 2457 O THR B 68 -9.188 -13.611 -10.771 1.00 0.00 O ATOM 2458 CB THR B 68 -9.751 -16.795 -10.937 1.00 0.00 C ATOM 2459 OG1 THR B 68 -10.622 -17.864 -11.331 1.00 0.00 O ATOM 2460 CG2 THR B 68 -8.849 -17.272 -9.806 1.00 0.00 C ATOM 0 H THR B 68 -12.416 -14.943 -11.353 1.00 0.00 H new ATOM 0 HA THR B 68 -11.256 -15.860 -9.706 1.00 0.00 H new ATOM 0 HB THR B 68 -9.119 -16.496 -11.773 1.00 0.00 H new ATOM 0 HG1 THR B 68 -10.087 -18.641 -11.597 1.00 0.00 H new ATOM 0 HG21 THR B 68 -8.275 -18.137 -10.138 1.00 0.00 H new ATOM 0 HG22 THR B 68 -8.166 -16.471 -9.522 1.00 0.00 H new ATOM 0 HG23 THR B 68 -9.459 -17.550 -8.947 1.00 0.00 H new ATOM 2468 N GLY B 69 -9.462 -14.421 -8.695 1.00 0.00 N ATOM 2469 CA GLY B 69 -8.584 -13.434 -8.100 1.00 0.00 C ATOM 2470 C GLY B 69 -8.027 -13.900 -6.771 1.00 0.00 C ATOM 2471 O GLY B 69 -8.691 -14.652 -6.053 1.00 0.00 O ATOM 0 H GLY B 69 -9.885 -15.070 -8.032 1.00 0.00 H new ATOM 0 HA2 GLY B 69 -7.762 -13.221 -8.783 1.00 0.00 H new ATOM 0 HA3 GLY B 69 -9.130 -12.501 -7.958 1.00 0.00 H new ATOM 2543 N HIS B 74 1.298 -16.368 -8.182 1.00 0.00 N ATOM 2544 CA HIS B 74 1.627 -14.962 -8.005 1.00 0.00 C ATOM 2545 C HIS B 74 3.126 -14.772 -7.833 1.00 0.00 C ATOM 2546 O HIS B 74 3.827 -15.683 -7.397 1.00 0.00 O ATOM 2547 CB HIS B 74 0.887 -14.397 -6.784 1.00 0.00 C ATOM 2548 CG HIS B 74 1.164 -15.130 -5.506 1.00 0.00 C ATOM 2549 ND1 HIS B 74 2.226 -14.833 -4.680 1.00 0.00 N ATOM 2550 CD2 HIS B 74 0.506 -16.155 -4.912 1.00 0.00 C ATOM 2551 CE1 HIS B 74 2.210 -15.643 -3.639 1.00 0.00 C ATOM 2552 NE2 HIS B 74 1.178 -16.453 -3.755 1.00 0.00 N ATOM 0 HA HIS B 74 1.312 -14.424 -8.899 1.00 0.00 H new ATOM 0 HB2 HIS B 74 1.164 -13.350 -6.657 1.00 0.00 H new ATOM 0 HB3 HIS B 74 -0.185 -14.422 -6.979 1.00 0.00 H new ATOM 0 HD2 HIS B 74 -0.382 -16.646 -5.281 1.00 0.00 H new ATOM 0 HE1 HIS B 74 2.923 -15.642 -2.828 1.00 0.00 H new ATOM 0 HE2 HIS B 74 0.921 -17.184 -3.091 1.00 0.00 H new ATOM 2561 N ALA B 75 3.610 -13.586 -8.169 1.00 0.00 N ATOM 2562 CA ALA B 75 5.018 -13.262 -7.992 1.00 0.00 C ATOM 2563 C ALA B 75 5.368 -13.218 -6.509 1.00 0.00 C ATOM 2564 O ALA B 75 4.719 -12.521 -5.733 1.00 0.00 O ATOM 2565 CB ALA B 75 5.347 -11.938 -8.658 1.00 0.00 C ATOM 0 H ALA B 75 3.049 -12.832 -8.566 1.00 0.00 H new ATOM 0 HA ALA B 75 5.616 -14.041 -8.466 1.00 0.00 H new ATOM 0 HB1 ALA B 75 6.404 -11.712 -8.516 1.00 0.00 H new ATOM 0 HB2 ALA B 75 5.130 -12.003 -9.724 1.00 0.00 H new ATOM 0 HB3 ALA B 75 4.743 -11.147 -8.213 1.00 0.00 H new ATOM 2571 N ASP B 76 6.383 -13.975 -6.123 1.00 0.00 N ATOM 2572 CA ASP B 76 6.788 -14.079 -4.722 1.00 0.00 C ATOM 2573 C ASP B 76 7.681 -12.901 -4.333 1.00 0.00 C ATOM 2574 O ASP B 76 7.747 -12.507 -3.169 1.00 0.00 O ATOM 2575 CB ASP B 76 7.519 -15.407 -4.495 1.00 0.00 C ATOM 2576 CG ASP B 76 7.796 -15.697 -3.033 1.00 0.00 C ATOM 2577 OD1 ASP B 76 6.907 -16.258 -2.353 1.00 0.00 O ATOM 2578 OD2 ASP B 76 8.914 -15.397 -2.564 1.00 0.00 O ATOM 0 H ASP B 76 6.948 -14.532 -6.763 1.00 0.00 H new ATOM 0 HA ASP B 76 5.899 -14.051 -4.092 1.00 0.00 H new ATOM 0 HB2 ASP B 76 6.922 -16.218 -4.912 1.00 0.00 H new ATOM 0 HB3 ASP B 76 8.463 -15.392 -5.040 1.00 0.00 H new ATOM 2583 N ASP B 77 8.349 -12.333 -5.332 1.00 0.00 N ATOM 2584 CA ASP B 77 9.224 -11.174 -5.129 1.00 0.00 C ATOM 2585 C ASP B 77 8.400 -9.902 -4.930 1.00 0.00 C ATOM 2586 O ASP B 77 8.892 -8.894 -4.419 1.00 0.00 O ATOM 2587 CB ASP B 77 10.163 -11.014 -6.337 1.00 0.00 C ATOM 2588 CG ASP B 77 10.983 -9.733 -6.308 1.00 0.00 C ATOM 2589 OD1 ASP B 77 12.045 -9.709 -5.648 1.00 0.00 O ATOM 2590 OD2 ASP B 77 10.576 -8.745 -6.961 1.00 0.00 O ATOM 0 H ASP B 77 8.303 -12.656 -6.298 1.00 0.00 H new ATOM 0 HA ASP B 77 9.819 -11.339 -4.231 1.00 0.00 H new ATOM 0 HB2 ASP B 77 10.840 -11.868 -6.376 1.00 0.00 H new ATOM 0 HB3 ASP B 77 9.571 -11.035 -7.252 1.00 0.00 H new ATOM 2595 N CYS B 78 7.135 -9.971 -5.316 1.00 0.00 N ATOM 2596 CA CYS B 78 6.260 -8.814 -5.281 1.00 0.00 C ATOM 2597 C CYS B 78 5.837 -8.497 -3.849 1.00 0.00 C ATOM 2598 O CYS B 78 5.381 -9.377 -3.114 1.00 0.00 O ATOM 2599 CB CYS B 78 5.031 -9.062 -6.159 1.00 0.00 C ATOM 2600 SG CYS B 78 4.054 -7.582 -6.496 1.00 0.00 S ATOM 0 H CYS B 78 6.691 -10.823 -5.659 1.00 0.00 H new ATOM 0 HA CYS B 78 6.806 -7.954 -5.670 1.00 0.00 H new ATOM 0 HB2 CYS B 78 5.356 -9.493 -7.106 1.00 0.00 H new ATOM 0 HB3 CYS B 78 4.394 -9.802 -5.673 1.00 0.00 H new ATOM 0 HG CYS B 78 3.759 -7.536 -7.761 1.00 0.00 H new ATOM 2606 N PRO B 79 5.982 -7.224 -3.437 1.00 0.00 N ATOM 2607 CA PRO B 79 5.670 -6.777 -2.073 1.00 0.00 C ATOM 2608 C PRO B 79 4.192 -6.934 -1.715 1.00 0.00 C ATOM 2609 O PRO B 79 3.815 -6.840 -0.549 1.00 0.00 O ATOM 2610 CB PRO B 79 6.060 -5.292 -2.073 1.00 0.00 C ATOM 2611 CG PRO B 79 6.952 -5.120 -3.255 1.00 0.00 C ATOM 2612 CD PRO B 79 6.484 -6.119 -4.270 1.00 0.00 C ATOM 0 HA PRO B 79 6.203 -7.374 -1.333 1.00 0.00 H new ATOM 0 HB2 PRO B 79 5.179 -4.654 -2.149 1.00 0.00 H new ATOM 0 HB3 PRO B 79 6.573 -5.020 -1.150 1.00 0.00 H new ATOM 0 HG2 PRO B 79 6.889 -4.105 -3.648 1.00 0.00 H new ATOM 0 HG3 PRO B 79 7.994 -5.294 -2.987 1.00 0.00 H new ATOM 0 HD2 PRO B 79 5.703 -5.709 -4.910 1.00 0.00 H new ATOM 0 HD3 PRO B 79 7.295 -6.442 -4.923 1.00 0.00 H new ATOM 2620 N VAL B 80 3.357 -7.176 -2.717 1.00 0.00 N ATOM 2621 CA VAL B 80 1.933 -7.363 -2.488 1.00 0.00 C ATOM 2622 C VAL B 80 1.665 -8.609 -1.648 1.00 0.00 C ATOM 2623 O VAL B 80 0.689 -8.658 -0.908 1.00 0.00 O ATOM 2624 CB VAL B 80 1.137 -7.450 -3.806 1.00 0.00 C ATOM 2625 CG1 VAL B 80 1.321 -6.183 -4.624 1.00 0.00 C ATOM 2626 CG2 VAL B 80 1.532 -8.677 -4.615 1.00 0.00 C ATOM 0 H VAL B 80 3.642 -7.247 -3.694 1.00 0.00 H new ATOM 0 HA VAL B 80 1.593 -6.483 -1.942 1.00 0.00 H new ATOM 0 HB VAL B 80 0.082 -7.549 -3.553 1.00 0.00 H new ATOM 0 HG11 VAL B 80 0.752 -6.262 -5.550 1.00 0.00 H new ATOM 0 HG12 VAL B 80 0.966 -5.326 -4.052 1.00 0.00 H new ATOM 0 HG13 VAL B 80 2.378 -6.051 -4.857 1.00 0.00 H new ATOM 0 HG21 VAL B 80 0.952 -8.707 -5.537 1.00 0.00 H new ATOM 0 HG22 VAL B 80 2.594 -8.628 -4.856 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.334 -9.576 -4.032 1.00 0.00 H new ATOM 2636 N VAL B 81 2.544 -9.606 -1.759 1.00 0.00 N ATOM 2637 CA VAL B 81 2.374 -10.865 -1.037 1.00 0.00 C ATOM 2638 C VAL B 81 2.372 -10.645 0.475 1.00 0.00 C ATOM 2639 O VAL B 81 1.497 -11.144 1.181 1.00 0.00 O ATOM 2640 CB VAL B 81 3.476 -11.881 -1.399 1.00 0.00 C ATOM 2641 CG1 VAL B 81 3.248 -13.202 -0.676 1.00 0.00 C ATOM 2642 CG2 VAL B 81 3.531 -12.098 -2.900 1.00 0.00 C ATOM 0 H VAL B 81 3.380 -9.565 -2.342 1.00 0.00 H new ATOM 0 HA VAL B 81 1.408 -11.269 -1.341 1.00 0.00 H new ATOM 0 HB VAL B 81 4.434 -11.474 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.036 -13.905 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.263 -13.035 0.401 1.00 0.00 H new ATOM 0 HG13 VAL B 81 2.281 -13.613 -0.966 1.00 0.00 H new ATOM 0 HG21 VAL B 81 4.315 -12.818 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL B 81 2.571 -12.480 -3.248 1.00 0.00 H new ATOM 0 HG23 VAL B 81 3.747 -11.152 -3.397 1.00 0.00 H new ATOM 2652 N ILE B 82 3.343 -9.897 0.973 1.00 0.00 N ATOM 2653 CA ILE B 82 3.401 -9.602 2.390 1.00 0.00 C ATOM 2654 C ILE B 82 2.348 -8.562 2.771 1.00 0.00 C ATOM 2655 O ILE B 82 1.814 -8.590 3.876 1.00 0.00 O ATOM 2656 CB ILE B 82 4.815 -9.160 2.834 1.00 0.00 C ATOM 2657 CG1 ILE B 82 5.346 -7.990 1.999 1.00 0.00 C ATOM 2658 CG2 ILE B 82 5.781 -10.335 2.773 1.00 0.00 C ATOM 2659 CD1 ILE B 82 5.017 -6.633 2.579 1.00 0.00 C ATOM 0 H ILE B 82 4.095 -9.487 0.420 1.00 0.00 H new ATOM 0 HA ILE B 82 3.177 -10.525 2.925 1.00 0.00 H new ATOM 0 HB ILE B 82 4.736 -8.813 3.864 1.00 0.00 H new ATOM 0 HG12 ILE B 82 6.428 -8.083 1.905 1.00 0.00 H new ATOM 0 HG13 ILE B 82 4.932 -8.056 0.993 1.00 0.00 H new ATOM 0 HG21 ILE B 82 6.772 -10.008 3.088 1.00 0.00 H new ATOM 0 HG22 ILE B 82 5.432 -11.127 3.435 1.00 0.00 H new ATOM 0 HG23 ILE B 82 5.831 -10.712 1.752 1.00 0.00 H new ATOM 0 HD11 ILE B 82 5.424 -5.854 1.935 1.00 0.00 H new ATOM 0 HD12 ILE B 82 3.935 -6.519 2.647 1.00 0.00 H new ATOM 0 HD13 ILE B 82 5.454 -6.547 3.574 1.00 0.00 H new ATOM 2671 N ALA B 83 2.040 -7.657 1.846 1.00 0.00 N ATOM 2672 CA ALA B 83 0.999 -6.654 2.064 1.00 0.00 C ATOM 2673 C ALA B 83 -0.357 -7.315 2.316 1.00 0.00 C ATOM 2674 O ALA B 83 -1.018 -7.031 3.316 1.00 0.00 O ATOM 2675 CB ALA B 83 0.915 -5.705 0.877 1.00 0.00 C ATOM 0 H ALA B 83 2.497 -7.597 0.936 1.00 0.00 H new ATOM 0 HA ALA B 83 1.266 -6.080 2.951 1.00 0.00 H new ATOM 0 HB1 ALA B 83 0.135 -4.965 1.057 1.00 0.00 H new ATOM 0 HB2 ALA B 83 1.872 -5.199 0.747 1.00 0.00 H new ATOM 0 HB3 ALA B 83 0.678 -6.270 -0.025 1.00 0.00 H new ATOM 2681 N LYS B 84 -0.769 -8.205 1.411 1.00 0.00 N ATOM 2682 CA LYS B 84 -2.016 -8.953 1.584 1.00 0.00 C ATOM 2683 C LYS B 84 -1.936 -9.850 2.816 1.00 0.00 C ATOM 2684 O LYS B 84 -2.950 -10.145 3.448 1.00 0.00 O ATOM 2685 CB LYS B 84 -2.343 -9.801 0.346 1.00 0.00 C ATOM 2686 CG LYS B 84 -1.278 -10.828 0.002 1.00 0.00 C ATOM 2687 CD LYS B 84 -1.727 -11.795 -1.087 1.00 0.00 C ATOM 2688 CE LYS B 84 -2.478 -12.992 -0.515 1.00 0.00 C ATOM 2689 NZ LYS B 84 -3.904 -12.696 -0.218 1.00 0.00 N ATOM 0 H LYS B 84 -0.260 -8.425 0.555 1.00 0.00 H new ATOM 0 HA LYS B 84 -2.816 -8.225 1.719 1.00 0.00 H new ATOM 0 HB2 LYS B 84 -3.290 -10.316 0.510 1.00 0.00 H new ATOM 0 HB3 LYS B 84 -2.484 -9.139 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS B 84 -0.374 -10.313 -0.324 1.00 0.00 H new ATOM 0 HG3 LYS B 84 -1.018 -11.391 0.898 1.00 0.00 H new ATOM 0 HD2 LYS B 84 -2.368 -11.270 -1.796 1.00 0.00 H new ATOM 0 HD3 LYS B 84 -0.857 -12.145 -1.642 1.00 0.00 H new ATOM 0 HE2 LYS B 84 -2.424 -13.819 -1.223 1.00 0.00 H new ATOM 0 HE3 LYS B 84 -1.983 -13.321 0.399 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 -4.466 -13.566 -0.312 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 -3.988 -12.332 0.753 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 -4.257 -11.982 -0.887 1.00 0.00 H new ATOM 2703 N GLN B 85 -0.727 -10.275 3.148 1.00 0.00 N ATOM 2704 CA GLN B 85 -0.498 -11.110 4.319 1.00 0.00 C ATOM 2705 C GLN B 85 -0.827 -10.323 5.585 1.00 0.00 C ATOM 2706 O GLN B 85 -1.439 -10.847 6.516 1.00 0.00 O ATOM 2707 CB GLN B 85 0.960 -11.578 4.343 1.00 0.00 C ATOM 2708 CG GLN B 85 1.216 -12.780 5.243 1.00 0.00 C ATOM 2709 CD GLN B 85 2.628 -13.337 5.101 1.00 0.00 C ATOM 2710 OE1 GLN B 85 3.196 -13.236 3.905 1.00 0.00 O flip ATOM 2711 NE2 GLN B 85 3.199 -13.864 6.056 1.00 0.00 N flip ATOM 0 H GLN B 85 0.117 -10.054 2.619 1.00 0.00 H new ATOM 0 HA GLN B 85 -1.146 -11.986 4.273 1.00 0.00 H new ATOM 0 HB2 GLN B 85 1.266 -11.827 3.327 1.00 0.00 H new ATOM 0 HB3 GLN B 85 1.590 -10.751 4.672 1.00 0.00 H new ATOM 0 HG2 GLN B 85 1.047 -12.493 6.281 1.00 0.00 H new ATOM 0 HG3 GLN B 85 0.496 -13.564 5.007 1.00 0.00 H new ATOM 0 HE21 GLN B 85 2.731 -13.924 6.960 1.00 0.00 H new ATOM 0 HE22 GLN B 85 4.140 -14.241 5.943 1.00 0.00 H new ATOM 2720 N ILE B 86 -0.433 -9.052 5.595 1.00 0.00 N ATOM 2721 CA ILE B 86 -0.703 -8.166 6.721 1.00 0.00 C ATOM 2722 C ILE B 86 -2.200 -7.892 6.866 1.00 0.00 C ATOM 2723 O ILE B 86 -2.745 -7.965 7.968 1.00 0.00 O ATOM 2724 CB ILE B 86 0.050 -6.823 6.568 1.00 0.00 C ATOM 2725 CG1 ILE B 86 1.563 -7.060 6.540 1.00 0.00 C ATOM 2726 CG2 ILE B 86 -0.320 -5.876 7.702 1.00 0.00 C ATOM 2727 CD1 ILE B 86 2.372 -5.815 6.240 1.00 0.00 C ATOM 0 H ILE B 86 0.078 -8.612 4.830 1.00 0.00 H new ATOM 0 HA ILE B 86 -0.348 -8.674 7.618 1.00 0.00 H new ATOM 0 HB ILE B 86 -0.245 -6.364 5.624 1.00 0.00 H new ATOM 0 HG12 ILE B 86 1.876 -7.462 7.504 1.00 0.00 H new ATOM 0 HG13 ILE B 86 1.789 -7.818 5.790 1.00 0.00 H new ATOM 0 HG21 ILE B 86 0.218 -4.936 7.581 1.00 0.00 H new ATOM 0 HG22 ILE B 86 -1.393 -5.686 7.682 1.00 0.00 H new ATOM 0 HG23 ILE B 86 -0.050 -6.328 8.656 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.433 -6.063 6.237 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.088 -5.423 5.263 1.00 0.00 H new ATOM 0 HD13 ILE B 86 2.177 -5.062 7.003 1.00 0.00 H new ATOM 2739 N LEU B 87 -2.870 -7.593 5.753 1.00 0.00 N ATOM 2740 CA LEU B 87 -4.303 -7.298 5.792 1.00 0.00 C ATOM 2741 C LEU B 87 -5.086 -8.544 6.191 1.00 0.00 C ATOM 2742 O LEU B 87 -6.200 -8.457 6.712 1.00 0.00 O ATOM 2743 CB LEU B 87 -4.800 -6.736 4.442 1.00 0.00 C ATOM 2744 CG LEU B 87 -4.956 -7.734 3.283 1.00 0.00 C ATOM 2745 CD1 LEU B 87 -6.312 -8.431 3.331 1.00 0.00 C ATOM 2746 CD2 LEU B 87 -4.784 -7.028 1.949 1.00 0.00 C ATOM 0 H LEU B 87 -2.451 -7.549 4.824 1.00 0.00 H new ATOM 0 HA LEU B 87 -4.472 -6.527 6.544 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -5.765 -6.258 4.609 1.00 0.00 H new ATOM 0 HB3 LEU B 87 -4.108 -5.955 4.125 1.00 0.00 H new ATOM 0 HG LEU B 87 -4.179 -8.491 3.390 1.00 0.00 H new ATOM 0 HD11 LEU B 87 -6.391 -9.130 2.499 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -6.409 -8.974 4.271 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -7.106 -7.688 3.258 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -4.897 -7.748 1.139 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -5.539 -6.249 1.850 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -3.792 -6.580 1.900 1.00 0.00 H new ATOM 2758 N SER B 88 -4.495 -9.704 5.929 1.00 0.00 N ATOM 2759 CA SER B 88 -5.091 -10.971 6.300 1.00 0.00 C ATOM 2760 C SER B 88 -4.929 -11.190 7.804 1.00 0.00 C ATOM 2761 O SER B 88 -5.905 -11.432 8.515 1.00 0.00 O ATOM 2762 CB SER B 88 -4.429 -12.102 5.502 1.00 0.00 C ATOM 2763 OG SER B 88 -5.117 -13.330 5.653 1.00 0.00 O ATOM 0 H SER B 88 -3.595 -9.787 5.456 1.00 0.00 H new ATOM 0 HA SER B 88 -6.156 -10.965 6.067 1.00 0.00 H new ATOM 0 HB2 SER B 88 -4.398 -11.831 4.447 1.00 0.00 H new ATOM 0 HB3 SER B 88 -3.397 -12.222 5.831 1.00 0.00 H new ATOM 0 HG SER B 88 -4.666 -14.024 5.129 1.00 0.00 H new ATOM 2769 N SER B 89 -3.680 -11.103 8.265 1.00 0.00 N ATOM 2770 CA SER B 89 -3.337 -11.192 9.688 1.00 0.00 C ATOM 2771 C SER B 89 -3.675 -12.565 10.286 1.00 0.00 C ATOM 2772 O SER B 89 -3.487 -12.790 11.484 1.00 0.00 O ATOM 2773 CB SER B 89 -4.024 -10.070 10.482 1.00 0.00 C ATOM 2774 OG SER B 89 -3.558 -10.028 11.823 1.00 0.00 O ATOM 0 H SER B 89 -2.871 -10.968 7.658 1.00 0.00 H new ATOM 0 HA SER B 89 -2.257 -11.068 9.765 1.00 0.00 H new ATOM 0 HB2 SER B 89 -3.835 -9.111 9.999 1.00 0.00 H new ATOM 0 HB3 SER B 89 -5.103 -10.224 10.474 1.00 0.00 H new ATOM 0 HG SER B 89 -3.387 -10.940 12.138 1.00 0.00 H new