USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 990 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 55 GLN :FLIP amide:sc= 0 F(o=-0.48,f=0.69) USER MOD Set 1.2: B 62 SER OG : rot 23:sc= 0.691 USER MOD Set 2.1: A 59 CYS SG : rot 180:sc= -0.129 USER MOD Set 2.2: A 78 CYS SG : rot -100:sc= -1.08 USER MOD Set 3.1: A 55 GLN : amide:sc= 0.474 K(o=0.92,f=-9.4!) USER MOD Set 3.2: A 57 LYS NZ :NH3+ 161:sc= 0.444! (180deg=-1.34!) USER MOD Set 4.1: A 40 THR OG1 : rot -62:sc= 1.44 USER MOD Set 4.2: B 56 CYS SG : rot 65:sc= -0.439 USER MOD Single : A 18 TYR OH : rot 32:sc= 0.973 USER MOD Single : A 20 GLN : amide:sc= 0.198 X(o=0.2,f=0) USER MOD Single : A 22 MET CE :methyl 173:sc= -1.96 (180deg=-2.44!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0841 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 157:sc= -0.0764 (180deg=-0.476) USER MOD Single : A 35 THR OG1 : rot 71:sc= 1.24 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 56 CYS SG : rot 180:sc= -5.75! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0177) USER MOD Single : A 85 GLN : amide:sc= 0.356 X(o=0.36,f=0) USER MOD Single : A 88 SER OG : rot 70:sc= 1.24 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot -96:sc= 1.01 USER MOD Single : B 20 GLN : amide:sc=-0.00712 K(o=-0.0071,f=-0.51) USER MOD Single : B 22 MET CE :methyl -131:sc= -0.737 (180deg=-2.79!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ -151:sc= -0.217 (180deg=-0.963) USER MOD Single : B 35 THR OG1 : rot 54:sc= 1.26 USER MOD Single : B 39 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0794) USER MOD Single : B 40 THR OG1 : rot -130:sc= -0.0348 USER MOD Single : B 46 SER OG : rot 29:sc= 1.11 USER MOD Single : B 53 HIS : no HD1:sc= 0.869 K(o=0.87,f=-4.8!) USER MOD Single : B 54 ASN :FLIP amide:sc= -1.67! C(o=-4.4!,f=-1.7!) USER MOD Single : B 57 LYS NZ :NH3+ -179:sc= 2.17 (180deg=2.17) USER MOD Single : B 59 CYS SG : rot 180:sc= 0 USER MOD Single : B 67 GLN : amide:sc= 0.528 K(o=0.53,f=-3.5!) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 74 HIS : no HD1:sc= -0.0445 X(o=-0.044,f=0) USER MOD Single : B 78 CYS SG : rot -69:sc= -2.73! USER MOD Single : B 84 LYS NZ :NH3+ 164:sc= -0.0646 (180deg=-0.311) USER MOD Single : B 85 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : B 88 SER OG : rot 83:sc= 1.29 USER MOD Single : B 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N LEU A 17 6.357 -6.051 17.689 1.00 0.00 N ATOM 240 CA LEU A 17 4.936 -6.360 17.765 1.00 0.00 C ATOM 241 C LEU A 17 4.253 -6.128 16.420 1.00 0.00 C ATOM 242 O LEU A 17 4.904 -5.887 15.408 1.00 0.00 O ATOM 243 CB LEU A 17 4.245 -5.509 18.844 1.00 0.00 C ATOM 244 CG LEU A 17 4.652 -5.786 20.299 1.00 0.00 C ATOM 245 CD1 LEU A 17 6.043 -5.248 20.603 1.00 0.00 C ATOM 246 CD2 LEU A 17 3.630 -5.186 21.249 1.00 0.00 C ATOM 0 HA LEU A 17 4.845 -7.413 18.031 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.442 -4.459 18.628 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.168 -5.656 18.757 1.00 0.00 H new ATOM 0 HG LEU A 17 4.680 -6.866 20.441 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.297 -5.462 21.641 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.770 -5.726 19.946 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.060 -4.170 20.440 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.927 -5.388 22.278 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.575 -4.109 21.092 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.653 -5.630 21.060 1.00 0.00 H new ATOM 258 N TYR A 18 2.934 -6.198 16.423 1.00 0.00 N ATOM 259 CA TYR A 18 2.151 -6.020 15.207 1.00 0.00 C ATOM 260 C TYR A 18 1.436 -4.679 15.229 1.00 0.00 C ATOM 261 O TYR A 18 0.345 -4.547 15.784 1.00 0.00 O ATOM 262 CB TYR A 18 1.152 -7.163 15.052 1.00 0.00 C ATOM 263 CG TYR A 18 0.298 -7.100 13.803 1.00 0.00 C ATOM 264 CD1 TYR A 18 0.847 -7.313 12.543 1.00 0.00 C ATOM 265 CD2 TYR A 18 -1.063 -6.830 13.889 1.00 0.00 C ATOM 266 CE1 TYR A 18 0.063 -7.262 11.406 1.00 0.00 C ATOM 267 CE2 TYR A 18 -1.853 -6.775 12.757 1.00 0.00 C ATOM 268 CZ TYR A 18 -1.285 -6.991 11.518 1.00 0.00 C ATOM 269 OH TYR A 18 -2.071 -6.924 10.389 1.00 0.00 O ATOM 0 H TYR A 18 2.377 -6.378 17.258 1.00 0.00 H new ATOM 0 HA TYR A 18 2.825 -6.033 14.350 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.698 -8.106 15.053 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.496 -7.173 15.923 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.903 -7.522 12.452 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.510 -6.660 14.857 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.503 -7.433 10.435 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.909 -6.564 12.841 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.729 -7.547 9.715 1.00 0.00 H new ATOM 279 N PHE A 19 2.109 -3.694 14.659 1.00 0.00 N ATOM 280 CA PHE A 19 1.616 -2.310 14.539 1.00 0.00 C ATOM 281 C PHE A 19 1.515 -1.584 15.885 1.00 0.00 C ATOM 282 O PHE A 19 1.956 -0.441 16.006 1.00 0.00 O ATOM 283 CB PHE A 19 0.277 -2.257 13.797 1.00 0.00 C ATOM 284 CG PHE A 19 0.420 -2.478 12.319 1.00 0.00 C ATOM 285 CD1 PHE A 19 0.968 -1.493 11.513 1.00 0.00 C ATOM 286 CD2 PHE A 19 0.015 -3.664 11.737 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.110 -1.690 10.154 1.00 0.00 C ATOM 288 CE2 PHE A 19 0.153 -3.866 10.377 1.00 0.00 C ATOM 289 CZ PHE A 19 0.701 -2.879 9.585 1.00 0.00 C ATOM 0 H PHE A 19 3.036 -3.825 14.254 1.00 0.00 H new ATOM 0 HA PHE A 19 2.364 -1.778 13.952 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.392 -3.013 14.209 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.191 -1.288 13.971 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.288 -0.560 11.953 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.414 -4.441 12.352 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.540 -0.915 9.537 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.168 -4.797 9.934 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.810 -3.036 8.522 1.00 0.00 H new ATOM 299 N GLN A 20 0.941 -2.243 16.883 1.00 0.00 N ATOM 300 CA GLN A 20 0.807 -1.668 18.219 1.00 0.00 C ATOM 301 C GLN A 20 2.182 -1.298 18.777 1.00 0.00 C ATOM 302 O GLN A 20 2.338 -0.303 19.481 1.00 0.00 O ATOM 303 CB GLN A 20 0.104 -2.664 19.144 1.00 0.00 C ATOM 304 CG GLN A 20 -0.201 -2.111 20.526 1.00 0.00 C ATOM 305 CD GLN A 20 -0.825 -3.145 21.438 1.00 0.00 C ATOM 306 OE1 GLN A 20 -0.124 -3.867 22.149 1.00 0.00 O ATOM 307 NE2 GLN A 20 -2.145 -3.229 21.428 1.00 0.00 N ATOM 0 H GLN A 20 0.557 -3.184 16.793 1.00 0.00 H new ATOM 0 HA GLN A 20 0.206 -0.761 18.157 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.828 -2.983 18.677 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.728 -3.551 19.248 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.720 -1.741 20.977 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.875 -1.259 20.433 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.691 -2.613 20.825 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.617 -3.910 22.023 1.00 0.00 H new ATOM 316 N GLY A 21 3.170 -2.116 18.443 1.00 0.00 N ATOM 317 CA GLY A 21 4.543 -1.829 18.794 1.00 0.00 C ATOM 318 C GLY A 21 5.446 -2.042 17.603 1.00 0.00 C ATOM 319 O GLY A 21 5.449 -3.124 17.017 1.00 0.00 O ATOM 0 H GLY A 21 3.040 -2.986 17.927 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.628 -0.800 19.144 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.857 -2.472 19.616 1.00 0.00 H new ATOM 323 N MET A 22 6.198 -1.020 17.229 1.00 0.00 N ATOM 324 CA MET A 22 6.996 -1.068 16.005 1.00 0.00 C ATOM 325 C MET A 22 8.412 -0.573 16.266 1.00 0.00 C ATOM 326 O MET A 22 8.726 -0.117 17.367 1.00 0.00 O ATOM 327 CB MET A 22 6.352 -0.200 14.914 1.00 0.00 C ATOM 328 CG MET A 22 4.927 -0.594 14.542 1.00 0.00 C ATOM 329 SD MET A 22 4.826 -1.732 13.139 1.00 0.00 S ATOM 330 CE MET A 22 5.641 -3.184 13.791 1.00 0.00 C ATOM 0 H MET A 22 6.276 -0.147 17.751 1.00 0.00 H new ATOM 0 HA MET A 22 7.036 -2.105 15.670 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.352 0.838 15.248 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.972 -0.247 14.019 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.450 -1.055 15.407 1.00 0.00 H new ATOM 0 HG3 MET A 22 4.360 0.307 14.308 1.00 0.00 H new ATOM 0 HE1 MET A 22 5.543 -4.006 13.082 1.00 0.00 H new ATOM 0 HE2 MET A 22 6.697 -2.967 13.951 1.00 0.00 H new ATOM 0 HE3 MET A 22 5.181 -3.465 14.738 1.00 0.00 H new ATOM 340 N THR A 23 9.259 -0.670 15.253 1.00 0.00 N ATOM 341 CA THR A 23 10.599 -0.115 15.319 1.00 0.00 C ATOM 342 C THR A 23 10.791 0.882 14.173 1.00 0.00 C ATOM 343 O THR A 23 9.864 1.126 13.399 1.00 0.00 O ATOM 344 CB THR A 23 11.686 -1.222 15.268 1.00 0.00 C ATOM 345 OG1 THR A 23 12.979 -0.665 15.554 1.00 0.00 O ATOM 346 CG2 THR A 23 11.721 -1.910 13.909 1.00 0.00 C ATOM 0 H THR A 23 9.039 -1.131 14.370 1.00 0.00 H new ATOM 0 HA THR A 23 10.711 0.398 16.274 1.00 0.00 H new ATOM 0 HB THR A 23 11.431 -1.965 16.023 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.655 -1.374 15.520 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.494 -2.679 13.910 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.753 -2.369 13.708 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.942 -1.175 13.135 1.00 0.00 H new ATOM 354 N ASP A 24 11.983 1.453 14.065 1.00 0.00 N ATOM 355 CA ASP A 24 12.260 2.464 13.048 1.00 0.00 C ATOM 356 C ASP A 24 12.286 1.847 11.650 1.00 0.00 C ATOM 357 O ASP A 24 11.837 2.460 10.683 1.00 0.00 O ATOM 358 CB ASP A 24 13.590 3.155 13.345 1.00 0.00 C ATOM 359 CG ASP A 24 13.931 4.229 12.333 1.00 0.00 C ATOM 360 OD1 ASP A 24 13.465 5.378 12.496 1.00 0.00 O ATOM 361 OD2 ASP A 24 14.700 3.946 11.394 1.00 0.00 O ATOM 0 H ASP A 24 12.776 1.235 14.669 1.00 0.00 H new ATOM 0 HA ASP A 24 11.459 3.203 13.076 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.550 3.599 14.340 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.386 2.410 13.360 1.00 0.00 H new ATOM 366 N THR A 25 12.789 0.618 11.562 1.00 0.00 N ATOM 367 CA THR A 25 12.876 -0.099 10.293 1.00 0.00 C ATOM 368 C THR A 25 11.505 -0.223 9.616 1.00 0.00 C ATOM 369 O THR A 25 11.414 -0.265 8.386 1.00 0.00 O ATOM 370 CB THR A 25 13.473 -1.506 10.505 1.00 0.00 C ATOM 371 OG1 THR A 25 14.752 -1.401 11.141 1.00 0.00 O ATOM 372 CG2 THR A 25 13.627 -2.246 9.187 1.00 0.00 C ATOM 0 H THR A 25 13.145 0.095 12.362 1.00 0.00 H new ATOM 0 HA THR A 25 13.530 0.480 9.641 1.00 0.00 H new ATOM 0 HB THR A 25 12.787 -2.068 11.138 1.00 0.00 H new ATOM 0 HG1 THR A 25 15.125 -2.297 11.275 1.00 0.00 H new ATOM 0 HG21 THR A 25 14.050 -3.233 9.371 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.651 -2.352 8.713 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.290 -1.684 8.530 1.00 0.00 H new ATOM 380 N ALA A 26 10.442 -0.243 10.425 1.00 0.00 N ATOM 381 CA ALA A 26 9.078 -0.383 9.914 1.00 0.00 C ATOM 382 C ALA A 26 8.708 0.768 8.985 1.00 0.00 C ATOM 383 O ALA A 26 7.864 0.617 8.099 1.00 0.00 O ATOM 384 CB ALA A 26 8.080 -0.464 11.063 1.00 0.00 C ATOM 0 H ALA A 26 10.502 -0.164 11.440 1.00 0.00 H new ATOM 0 HA ALA A 26 9.038 -1.309 9.341 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.072 -0.568 10.662 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.313 -1.327 11.687 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.141 0.444 11.662 1.00 0.00 H new ATOM 390 N ALA A 27 9.353 1.914 9.181 1.00 0.00 N ATOM 391 CA ALA A 27 9.094 3.088 8.361 1.00 0.00 C ATOM 392 C ALA A 27 9.480 2.828 6.914 1.00 0.00 C ATOM 393 O ALA A 27 8.912 3.418 5.995 1.00 0.00 O ATOM 394 CB ALA A 27 9.845 4.295 8.897 1.00 0.00 C ATOM 0 H ALA A 27 10.060 2.053 9.903 1.00 0.00 H new ATOM 0 HA ALA A 27 8.026 3.299 8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.637 5.161 8.269 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.522 4.501 9.918 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.916 4.090 8.890 1.00 0.00 H new ATOM 400 N GLU A 28 10.453 1.947 6.715 1.00 0.00 N ATOM 401 CA GLU A 28 10.914 1.616 5.379 1.00 0.00 C ATOM 402 C GLU A 28 9.910 0.703 4.685 1.00 0.00 C ATOM 403 O GLU A 28 9.532 0.951 3.543 1.00 0.00 O ATOM 404 CB GLU A 28 12.293 0.950 5.431 1.00 0.00 C ATOM 405 CG GLU A 28 12.953 0.808 4.068 1.00 0.00 C ATOM 406 CD GLU A 28 14.308 0.138 4.134 1.00 0.00 C ATOM 407 OE1 GLU A 28 15.208 0.672 4.813 1.00 0.00 O ATOM 408 OE2 GLU A 28 14.485 -0.926 3.500 1.00 0.00 O ATOM 0 H GLU A 28 10.936 1.451 7.464 1.00 0.00 H new ATOM 0 HA GLU A 28 11.002 2.540 4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.944 1.533 6.082 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.193 -0.037 5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.300 0.231 3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.063 1.795 3.619 1.00 0.00 H new ATOM 415 N ASP A 29 9.454 -0.326 5.397 1.00 0.00 N ATOM 416 CA ASP A 29 8.528 -1.312 4.833 1.00 0.00 C ATOM 417 C ASP A 29 7.277 -0.646 4.295 1.00 0.00 C ATOM 418 O ASP A 29 6.932 -0.811 3.127 1.00 0.00 O ATOM 419 CB ASP A 29 8.106 -2.333 5.898 1.00 0.00 C ATOM 420 CG ASP A 29 9.217 -3.268 6.316 1.00 0.00 C ATOM 421 OD1 ASP A 29 10.113 -2.844 7.073 1.00 0.00 O ATOM 422 OD2 ASP A 29 9.205 -4.443 5.891 1.00 0.00 O ATOM 0 H ASP A 29 9.710 -0.501 6.369 1.00 0.00 H new ATOM 0 HA ASP A 29 9.054 -1.813 4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.742 -1.800 6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.273 -2.922 5.515 1.00 0.00 H new ATOM 427 N VAL A 30 6.616 0.129 5.142 1.00 0.00 N ATOM 428 CA VAL A 30 5.359 0.751 4.770 1.00 0.00 C ATOM 429 C VAL A 30 5.564 1.749 3.635 1.00 0.00 C ATOM 430 O VAL A 30 4.742 1.840 2.727 1.00 0.00 O ATOM 431 CB VAL A 30 4.698 1.456 5.973 1.00 0.00 C ATOM 432 CG1 VAL A 30 3.351 2.049 5.586 1.00 0.00 C ATOM 433 CG2 VAL A 30 4.537 0.488 7.137 1.00 0.00 C ATOM 0 H VAL A 30 6.930 0.340 6.089 1.00 0.00 H new ATOM 0 HA VAL A 30 4.693 -0.043 4.431 1.00 0.00 H new ATOM 0 HB VAL A 30 5.350 2.271 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.907 2.540 6.452 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.490 2.778 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.689 1.255 5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.069 1.003 7.976 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.910 -0.349 6.830 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.516 0.116 7.439 1.00 0.00 H new ATOM 443 N ARG A 31 6.678 2.473 3.673 1.00 0.00 N ATOM 444 CA ARG A 31 6.973 3.464 2.647 1.00 0.00 C ATOM 445 C ARG A 31 7.236 2.789 1.305 1.00 0.00 C ATOM 446 O ARG A 31 6.741 3.232 0.267 1.00 0.00 O ATOM 447 CB ARG A 31 8.184 4.308 3.048 1.00 0.00 C ATOM 448 CG ARG A 31 8.434 5.492 2.127 1.00 0.00 C ATOM 449 CD ARG A 31 9.631 6.310 2.578 1.00 0.00 C ATOM 450 NE ARG A 31 9.752 7.559 1.827 1.00 0.00 N ATOM 451 CZ ARG A 31 10.915 8.119 1.497 1.00 0.00 C ATOM 452 NH1 ARG A 31 12.054 7.520 1.820 1.00 0.00 N ATOM 453 NH2 ARG A 31 10.933 9.274 0.843 1.00 0.00 N ATOM 0 H ARG A 31 7.388 2.392 4.401 1.00 0.00 H new ATOM 0 HA ARG A 31 6.105 4.115 2.548 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.041 4.674 4.065 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.070 3.674 3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.600 5.134 1.111 1.00 0.00 H new ATOM 0 HG3 ARG A 31 7.548 6.127 2.101 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.539 6.533 3.641 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.540 5.722 2.454 1.00 0.00 H new ATOM 0 HE ARG A 31 8.894 8.030 1.538 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.039 6.631 2.321 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.945 7.948 1.568 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.057 9.732 0.593 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.823 9.703 0.590 1.00 0.00 H new ATOM 467 N LYS A 32 8.009 1.712 1.340 1.00 0.00 N ATOM 468 CA LYS A 32 8.348 0.969 0.133 1.00 0.00 C ATOM 469 C LYS A 32 7.100 0.358 -0.496 1.00 0.00 C ATOM 470 O LYS A 32 6.925 0.398 -1.716 1.00 0.00 O ATOM 471 CB LYS A 32 9.374 -0.123 0.449 1.00 0.00 C ATOM 472 CG LYS A 32 10.733 0.417 0.868 1.00 0.00 C ATOM 473 CD LYS A 32 11.789 -0.676 0.900 1.00 0.00 C ATOM 474 CE LYS A 32 12.337 -0.963 -0.489 1.00 0.00 C ATOM 475 NZ LYS A 32 13.096 0.197 -1.032 1.00 0.00 N ATOM 0 H LYS A 32 8.415 1.332 2.195 1.00 0.00 H new ATOM 0 HA LYS A 32 8.786 1.664 -0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.983 -0.756 1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.500 -0.756 -0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.042 1.201 0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.654 0.875 1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.604 -0.377 1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.359 -1.586 1.318 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.987 -1.837 -0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.515 -1.207 -1.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.762 -0.134 -1.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.433 0.879 -1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.624 0.657 -0.263 1.00 0.00 H new ATOM 489 N ILE A 33 6.231 -0.203 0.339 1.00 0.00 N ATOM 490 CA ILE A 33 4.989 -0.793 -0.140 1.00 0.00 C ATOM 491 C ILE A 33 4.057 0.283 -0.691 1.00 0.00 C ATOM 492 O ILE A 33 3.586 0.179 -1.824 1.00 0.00 O ATOM 493 CB ILE A 33 4.266 -1.585 0.973 1.00 0.00 C ATOM 494 CG1 ILE A 33 5.158 -2.724 1.476 1.00 0.00 C ATOM 495 CG2 ILE A 33 2.933 -2.136 0.463 1.00 0.00 C ATOM 496 CD1 ILE A 33 4.561 -3.493 2.634 1.00 0.00 C ATOM 0 H ILE A 33 6.365 -0.261 1.349 1.00 0.00 H new ATOM 0 HA ILE A 33 5.251 -1.487 -0.939 1.00 0.00 H new ATOM 0 HB ILE A 33 4.061 -0.908 1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.351 -3.413 0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.121 -2.313 1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.439 -2.690 1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.295 -1.311 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.113 -2.800 -0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.247 -4.284 2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.393 -2.817 3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.612 -3.934 2.328 1.00 0.00 H new ATOM 508 N ALA A 34 3.827 1.327 0.102 1.00 0.00 N ATOM 509 CA ALA A 34 2.888 2.388 -0.258 1.00 0.00 C ATOM 510 C ALA A 34 3.251 3.049 -1.581 1.00 0.00 C ATOM 511 O ALA A 34 2.371 3.420 -2.362 1.00 0.00 O ATOM 512 CB ALA A 34 2.815 3.433 0.846 1.00 0.00 C ATOM 0 H ALA A 34 4.282 1.462 1.005 1.00 0.00 H new ATOM 0 HA ALA A 34 1.909 1.924 -0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.111 4.215 0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.480 2.963 1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.802 3.871 0.999 1.00 0.00 H new ATOM 518 N THR A 35 4.539 3.184 -1.843 1.00 0.00 N ATOM 519 CA THR A 35 4.992 3.829 -3.064 1.00 0.00 C ATOM 520 C THR A 35 4.754 2.928 -4.278 1.00 0.00 C ATOM 521 O THR A 35 4.483 3.409 -5.381 1.00 0.00 O ATOM 522 CB THR A 35 6.485 4.218 -2.980 1.00 0.00 C ATOM 523 OG1 THR A 35 6.725 4.984 -1.791 1.00 0.00 O ATOM 524 CG2 THR A 35 6.913 5.029 -4.196 1.00 0.00 C ATOM 0 H THR A 35 5.287 2.858 -1.231 1.00 0.00 H new ATOM 0 HA THR A 35 4.408 4.742 -3.182 1.00 0.00 H new ATOM 0 HB THR A 35 7.070 3.298 -2.953 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.658 4.400 -1.007 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.968 5.288 -4.108 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.758 4.439 -5.100 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.319 5.941 -4.252 1.00 0.00 H new ATOM 532 N ALA A 36 4.833 1.623 -4.065 1.00 0.00 N ATOM 533 CA ALA A 36 4.581 0.667 -5.132 1.00 0.00 C ATOM 534 C ALA A 36 3.102 0.658 -5.496 1.00 0.00 C ATOM 535 O ALA A 36 2.736 0.456 -6.656 1.00 0.00 O ATOM 536 CB ALA A 36 5.040 -0.721 -4.719 1.00 0.00 C ATOM 0 H ALA A 36 5.069 1.203 -3.166 1.00 0.00 H new ATOM 0 HA ALA A 36 5.150 0.968 -6.012 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.844 -1.425 -5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.109 -0.702 -4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.497 -1.034 -3.827 1.00 0.00 H new ATOM 542 N LEU A 37 2.259 0.903 -4.496 1.00 0.00 N ATOM 543 CA LEU A 37 0.815 0.943 -4.691 1.00 0.00 C ATOM 544 C LEU A 37 0.450 2.032 -5.682 1.00 0.00 C ATOM 545 O LEU A 37 -0.420 1.851 -6.530 1.00 0.00 O ATOM 546 CB LEU A 37 0.100 1.220 -3.366 1.00 0.00 C ATOM 547 CG LEU A 37 0.648 0.470 -2.156 1.00 0.00 C ATOM 548 CD1 LEU A 37 -0.168 0.799 -0.916 1.00 0.00 C ATOM 549 CD2 LEU A 37 0.658 -1.033 -2.405 1.00 0.00 C ATOM 0 H LEU A 37 2.556 1.078 -3.536 1.00 0.00 H new ATOM 0 HA LEU A 37 0.500 -0.027 -5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.151 2.290 -3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.954 0.967 -3.482 1.00 0.00 H new ATOM 0 HG LEU A 37 1.676 0.792 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.235 0.256 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.119 1.870 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.206 0.506 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.053 -1.545 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.358 -1.377 -2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.286 -1.255 -3.268 1.00 0.00 H new ATOM 561 N LEU A 38 1.141 3.157 -5.578 1.00 0.00 N ATOM 562 CA LEU A 38 0.878 4.313 -6.424 1.00 0.00 C ATOM 563 C LEU A 38 0.965 3.956 -7.904 1.00 0.00 C ATOM 564 O LEU A 38 0.197 4.460 -8.720 1.00 0.00 O ATOM 565 CB LEU A 38 1.873 5.430 -6.107 1.00 0.00 C ATOM 566 CG LEU A 38 1.901 5.886 -4.647 1.00 0.00 C ATOM 567 CD1 LEU A 38 3.022 6.889 -4.428 1.00 0.00 C ATOM 568 CD2 LEU A 38 0.559 6.484 -4.243 1.00 0.00 C ATOM 0 H LEU A 38 1.897 3.295 -4.908 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.137 4.653 -6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.872 5.094 -6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.640 6.290 -6.735 1.00 0.00 H new ATOM 0 HG LEU A 38 2.087 5.016 -4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.029 7.204 -3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.978 6.426 -4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.864 7.757 -5.068 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.601 6.802 -3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.338 7.344 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.224 5.735 -4.363 1.00 0.00 H new ATOM 580 N LYS A 39 1.893 3.076 -8.250 1.00 0.00 N ATOM 581 CA LYS A 39 2.121 2.733 -9.638 1.00 0.00 C ATOM 582 C LYS A 39 1.286 1.532 -10.076 1.00 0.00 C ATOM 583 O LYS A 39 1.134 1.289 -11.274 1.00 0.00 O ATOM 584 CB LYS A 39 3.604 2.457 -9.864 1.00 0.00 C ATOM 585 CG LYS A 39 4.498 3.650 -9.558 1.00 0.00 C ATOM 586 CD LYS A 39 5.865 3.527 -10.222 1.00 0.00 C ATOM 587 CE LYS A 39 6.640 2.309 -9.744 1.00 0.00 C ATOM 588 NZ LYS A 39 8.003 2.264 -10.341 1.00 0.00 N ATOM 0 H LYS A 39 2.497 2.590 -7.587 1.00 0.00 H new ATOM 0 HA LYS A 39 1.810 3.582 -10.247 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.908 1.616 -9.240 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.755 2.156 -10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.011 4.564 -9.898 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.626 3.739 -8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.736 3.470 -11.303 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.446 4.426 -10.018 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.718 2.329 -8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.095 1.403 -10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.506 1.422 -9.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.927 2.221 -11.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.530 3.118 -10.068 1.00 0.00 H new ATOM 602 N THR A 40 0.742 0.784 -9.124 1.00 0.00 N ATOM 603 CA THR A 40 -0.003 -0.423 -9.461 1.00 0.00 C ATOM 604 C THR A 40 -1.519 -0.230 -9.303 1.00 0.00 C ATOM 605 O THR A 40 -2.305 -0.955 -9.910 1.00 0.00 O ATOM 606 CB THR A 40 0.472 -1.628 -8.612 1.00 0.00 C ATOM 607 OG1 THR A 40 -0.015 -2.852 -9.168 1.00 0.00 O ATOM 608 CG2 THR A 40 0.009 -1.515 -7.166 1.00 0.00 C ATOM 0 H THR A 40 0.801 0.987 -8.126 1.00 0.00 H new ATOM 0 HA THR A 40 0.198 -0.632 -10.512 1.00 0.00 H new ATOM 0 HB THR A 40 1.562 -1.624 -8.627 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.995 -2.852 -9.150 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.362 -2.379 -6.602 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.413 -0.604 -6.725 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.080 -1.481 -7.134 1.00 0.00 H new ATOM 616 N ALA A 41 -1.925 0.743 -8.492 1.00 0.00 N ATOM 617 CA ALA A 41 -3.344 1.002 -8.259 1.00 0.00 C ATOM 618 C ALA A 41 -3.857 2.118 -9.162 1.00 0.00 C ATOM 619 O ALA A 41 -5.062 2.266 -9.360 1.00 0.00 O ATOM 620 CB ALA A 41 -3.586 1.345 -6.796 1.00 0.00 C ATOM 0 H ALA A 41 -1.294 1.364 -7.986 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.897 0.095 -8.503 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.648 1.535 -6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.270 0.511 -6.170 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.014 2.235 -6.532 1.00 0.00 H new ATOM 626 N ILE A 42 -2.940 2.914 -9.689 1.00 0.00 N ATOM 627 CA ILE A 42 -3.294 3.967 -10.630 1.00 0.00 C ATOM 628 C ILE A 42 -2.943 3.522 -12.046 1.00 0.00 C ATOM 629 O ILE A 42 -1.765 3.358 -12.382 1.00 0.00 O ATOM 630 CB ILE A 42 -2.572 5.293 -10.299 1.00 0.00 C ATOM 631 CG1 ILE A 42 -2.952 5.773 -8.891 1.00 0.00 C ATOM 632 CG2 ILE A 42 -2.901 6.359 -11.334 1.00 0.00 C ATOM 633 CD1 ILE A 42 -2.244 7.042 -8.462 1.00 0.00 C ATOM 0 H ILE A 42 -1.943 2.851 -9.481 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.366 4.146 -10.553 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.497 5.114 -10.325 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.029 5.939 -8.853 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.726 4.983 -8.175 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.382 7.284 -11.081 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.580 6.021 -12.319 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.976 6.537 -11.344 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.565 7.316 -7.457 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.167 6.877 -8.466 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.490 7.848 -9.154 1.00 0.00 H new ATOM 645 N GLU A 43 -3.954 3.314 -12.869 1.00 0.00 N ATOM 646 CA GLU A 43 -3.739 2.763 -14.194 1.00 0.00 C ATOM 647 C GLU A 43 -3.854 3.830 -15.275 1.00 0.00 C ATOM 648 O GLU A 43 -4.439 4.894 -15.070 1.00 0.00 O ATOM 649 CB GLU A 43 -4.739 1.637 -14.487 1.00 0.00 C ATOM 650 CG GLU A 43 -6.192 2.094 -14.562 1.00 0.00 C ATOM 651 CD GLU A 43 -6.920 1.993 -13.238 1.00 0.00 C ATOM 652 OE1 GLU A 43 -7.492 0.915 -12.965 1.00 0.00 O ATOM 653 OE2 GLU A 43 -6.945 2.985 -12.481 1.00 0.00 O ATOM 0 H GLU A 43 -4.928 3.517 -12.645 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.725 2.362 -14.208 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.470 1.164 -15.431 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.649 0.876 -13.712 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.223 3.127 -14.908 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.717 1.493 -15.304 1.00 0.00 H new ATOM 660 N ILE A 44 -3.277 3.540 -16.425 1.00 0.00 N ATOM 661 CA ILE A 44 -3.484 4.350 -17.605 1.00 0.00 C ATOM 662 C ILE A 44 -4.283 3.565 -18.629 1.00 0.00 C ATOM 663 O ILE A 44 -3.920 2.455 -19.007 1.00 0.00 O ATOM 664 CB ILE A 44 -2.161 4.860 -18.224 1.00 0.00 C ATOM 665 CG1 ILE A 44 -0.983 3.928 -17.908 1.00 0.00 C ATOM 666 CG2 ILE A 44 -1.862 6.272 -17.741 1.00 0.00 C ATOM 667 CD1 ILE A 44 -0.946 2.652 -18.726 1.00 0.00 C ATOM 0 H ILE A 44 -2.657 2.742 -16.565 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.042 5.235 -17.299 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.289 4.871 -19.306 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.053 4.473 -18.069 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.019 3.665 -16.851 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.928 6.618 -18.184 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.673 6.937 -18.037 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.770 6.273 -16.655 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.080 2.057 -18.434 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.856 2.079 -18.548 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.875 2.901 -19.785 1.00 0.00 H new ATOM 679 N VAL A 45 -5.390 4.131 -19.050 1.00 0.00 N ATOM 680 CA VAL A 45 -6.281 3.450 -19.967 1.00 0.00 C ATOM 681 C VAL A 45 -6.137 4.009 -21.376 1.00 0.00 C ATOM 682 O VAL A 45 -6.432 5.176 -21.638 1.00 0.00 O ATOM 683 CB VAL A 45 -7.756 3.522 -19.504 1.00 0.00 C ATOM 684 CG1 VAL A 45 -7.974 2.624 -18.293 1.00 0.00 C ATOM 685 CG2 VAL A 45 -8.169 4.953 -19.176 1.00 0.00 C ATOM 0 H VAL A 45 -5.698 5.063 -18.773 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.992 2.399 -19.975 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.380 3.172 -20.327 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.016 2.684 -17.978 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.734 1.594 -18.556 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.329 2.950 -17.477 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.210 4.966 -18.854 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.537 5.340 -18.376 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.055 5.577 -20.062 1.00 0.00 H new ATOM 772 N HIS A 53 -5.709 7.805 -21.223 1.00 0.00 N ATOM 773 CA HIS A 53 -6.119 8.603 -20.076 1.00 0.00 C ATOM 774 C HIS A 53 -5.511 8.043 -18.800 1.00 0.00 C ATOM 775 O HIS A 53 -5.455 6.828 -18.616 1.00 0.00 O ATOM 776 CB HIS A 53 -7.647 8.621 -19.948 1.00 0.00 C ATOM 777 CG HIS A 53 -8.333 9.192 -21.145 1.00 0.00 C ATOM 778 ND1 HIS A 53 -8.583 10.533 -21.294 1.00 0.00 N ATOM 779 CD2 HIS A 53 -8.782 8.600 -22.271 1.00 0.00 C ATOM 780 CE1 HIS A 53 -9.149 10.743 -22.464 1.00 0.00 C ATOM 781 NE2 HIS A 53 -9.284 9.586 -23.080 1.00 0.00 N ATOM 0 HA HIS A 53 -5.764 9.622 -20.228 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -8.003 7.604 -19.785 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -7.924 9.201 -19.068 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.752 7.544 -22.494 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.452 11.703 -22.854 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.693 9.447 -24.004 1.00 0.00 H new ATOM 790 N ASN A 54 -5.050 8.920 -17.928 1.00 0.00 N ATOM 791 CA ASN A 54 -4.582 8.508 -16.615 1.00 0.00 C ATOM 792 C ASN A 54 -5.790 8.373 -15.703 1.00 0.00 C ATOM 793 O ASN A 54 -6.614 9.283 -15.639 1.00 0.00 O ATOM 794 CB ASN A 54 -3.603 9.539 -16.050 1.00 0.00 C ATOM 795 CG ASN A 54 -2.930 9.072 -14.772 1.00 0.00 C ATOM 796 OD1 ASN A 54 -3.460 9.238 -13.678 1.00 0.00 O ATOM 797 ND2 ASN A 54 -1.745 8.495 -14.905 1.00 0.00 N ATOM 0 H ASN A 54 -4.989 9.923 -18.104 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.058 7.555 -16.688 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.841 9.757 -16.798 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.135 10.470 -15.856 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.240 8.171 -14.080 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.337 8.375 -15.832 1.00 0.00 H new ATOM 804 N GLN A 55 -5.926 7.242 -15.038 1.00 0.00 N ATOM 805 CA GLN A 55 -7.103 6.991 -14.229 1.00 0.00 C ATOM 806 C GLN A 55 -6.721 6.524 -12.833 1.00 0.00 C ATOM 807 O GLN A 55 -5.756 5.787 -12.650 1.00 0.00 O ATOM 808 CB GLN A 55 -7.992 5.938 -14.900 1.00 0.00 C ATOM 809 CG GLN A 55 -9.256 5.613 -14.114 1.00 0.00 C ATOM 810 CD GLN A 55 -10.015 4.419 -14.664 1.00 0.00 C ATOM 811 OE1 GLN A 55 -10.678 3.696 -13.920 1.00 0.00 O ATOM 812 NE2 GLN A 55 -9.924 4.200 -15.966 1.00 0.00 N ATOM 0 H GLN A 55 -5.241 6.487 -15.041 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.654 7.927 -14.140 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.273 6.291 -15.892 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.415 5.023 -15.038 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.989 5.418 -13.075 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.911 6.484 -14.117 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.365 4.822 -16.550 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.413 3.410 -16.386 1.00 0.00 H new ATOM 821 N CYS A 56 -7.477 6.979 -11.852 1.00 0.00 N ATOM 822 CA CYS A 56 -7.384 6.451 -10.508 1.00 0.00 C ATOM 823 C CYS A 56 -8.712 5.798 -10.143 1.00 0.00 C ATOM 824 O CYS A 56 -9.614 6.451 -9.618 1.00 0.00 O ATOM 825 CB CYS A 56 -7.021 7.559 -9.514 1.00 0.00 C ATOM 826 SG CYS A 56 -8.115 8.999 -9.574 1.00 0.00 S ATOM 0 H CYS A 56 -8.168 7.720 -11.965 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.592 5.703 -10.462 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.038 7.146 -8.505 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.999 7.885 -9.708 1.00 0.00 H new ATOM 0 HG CYS A 56 -7.726 9.876 -8.697 1.00 0.00 H new ATOM 832 N LYS A 57 -8.839 4.513 -10.461 1.00 0.00 N ATOM 833 CA LYS A 57 -10.099 3.786 -10.289 1.00 0.00 C ATOM 834 C LYS A 57 -10.619 3.870 -8.848 1.00 0.00 C ATOM 835 O LYS A 57 -11.821 3.750 -8.603 1.00 0.00 O ATOM 836 CB LYS A 57 -9.913 2.326 -10.716 1.00 0.00 C ATOM 837 CG LYS A 57 -11.200 1.516 -10.746 1.00 0.00 C ATOM 838 CD LYS A 57 -10.988 0.145 -11.379 1.00 0.00 C ATOM 839 CE LYS A 57 -11.067 0.186 -12.906 1.00 0.00 C ATOM 840 NZ LYS A 57 -10.043 1.075 -13.519 1.00 0.00 N ATOM 0 H LYS A 57 -8.080 3.948 -10.842 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.850 4.256 -10.924 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.460 2.304 -11.707 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.211 1.846 -10.034 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.577 1.394 -9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.960 2.061 -11.305 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.015 -0.243 -11.079 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.739 -0.547 -10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.944 -0.824 -13.298 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.059 0.525 -13.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.925 0.828 -14.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.351 2.065 -13.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.137 0.954 -13.023 1.00 0.00 H new ATOM 854 N LEU A 58 -9.714 4.103 -7.904 1.00 0.00 N ATOM 855 CA LEU A 58 -10.086 4.254 -6.500 1.00 0.00 C ATOM 856 C LEU A 58 -10.921 5.516 -6.284 1.00 0.00 C ATOM 857 O LEU A 58 -11.857 5.524 -5.485 1.00 0.00 O ATOM 858 CB LEU A 58 -8.840 4.309 -5.607 1.00 0.00 C ATOM 859 CG LEU A 58 -8.156 2.965 -5.321 1.00 0.00 C ATOM 860 CD1 LEU A 58 -7.525 2.380 -6.578 1.00 0.00 C ATOM 861 CD2 LEU A 58 -7.108 3.136 -4.232 1.00 0.00 C ATOM 0 H LEU A 58 -8.714 4.192 -8.085 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.684 3.384 -6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.112 4.972 -6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.119 4.762 -4.655 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.918 2.265 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.050 1.429 -6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.296 2.220 -7.332 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.777 3.072 -6.965 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.628 2.177 -4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.359 3.857 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.586 3.496 -3.321 1.00 0.00 H new ATOM 873 N CYS A 59 -10.585 6.577 -7.006 1.00 0.00 N ATOM 874 CA CYS A 59 -11.258 7.859 -6.836 1.00 0.00 C ATOM 875 C CYS A 59 -12.310 8.056 -7.926 1.00 0.00 C ATOM 876 O CYS A 59 -13.397 8.580 -7.673 1.00 0.00 O ATOM 877 CB CYS A 59 -10.233 9.000 -6.873 1.00 0.00 C ATOM 878 SG CYS A 59 -10.893 10.614 -6.403 1.00 0.00 S ATOM 0 H CYS A 59 -9.851 6.576 -7.714 1.00 0.00 H new ATOM 0 HA CYS A 59 -11.758 7.867 -5.868 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.407 8.751 -6.207 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.821 9.069 -7.880 1.00 0.00 H new ATOM 0 HG CYS A 59 -9.948 11.504 -6.466 1.00 0.00 H new ATOM 884 N GLY A 60 -11.983 7.616 -9.134 1.00 0.00 N ATOM 885 CA GLY A 60 -12.896 7.756 -10.252 1.00 0.00 C ATOM 886 C GLY A 60 -12.510 8.894 -11.174 1.00 0.00 C ATOM 887 O GLY A 60 -13.266 9.256 -12.077 1.00 0.00 O ATOM 0 H GLY A 60 -11.098 7.163 -9.360 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.918 6.825 -10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.905 7.924 -9.875 1.00 0.00 H new ATOM 891 N ALA A 61 -11.329 9.455 -10.953 1.00 0.00 N ATOM 892 CA ALA A 61 -10.861 10.585 -11.743 1.00 0.00 C ATOM 893 C ALA A 61 -10.040 10.114 -12.937 1.00 0.00 C ATOM 894 O ALA A 61 -9.526 8.992 -12.944 1.00 0.00 O ATOM 895 CB ALA A 61 -10.040 11.532 -10.884 1.00 0.00 C ATOM 0 H ALA A 61 -10.677 9.145 -10.232 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.735 11.118 -12.117 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.699 12.370 -11.491 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.654 11.904 -10.064 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.178 11.002 -10.480 1.00 0.00 H new ATOM 901 N SER A 62 -9.922 10.978 -13.938 1.00 0.00 N ATOM 902 CA SER A 62 -9.162 10.665 -15.139 1.00 0.00 C ATOM 903 C SER A 62 -8.803 11.938 -15.908 1.00 0.00 C ATOM 904 O SER A 62 -9.587 12.890 -15.958 1.00 0.00 O ATOM 905 CB SER A 62 -9.953 9.698 -16.026 1.00 0.00 C ATOM 906 OG SER A 62 -11.280 10.156 -16.234 1.00 0.00 O ATOM 0 H SER A 62 -10.346 11.906 -13.940 1.00 0.00 H new ATOM 0 HA SER A 62 -8.231 10.183 -14.842 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.449 9.588 -16.986 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.975 8.712 -15.563 1.00 0.00 H new ATOM 0 HG SER A 62 -11.760 9.520 -16.805 1.00 0.00 H new ATOM 912 N VAL A 63 -7.612 11.949 -16.493 1.00 0.00 N ATOM 913 CA VAL A 63 -7.112 13.106 -17.225 1.00 0.00 C ATOM 914 C VAL A 63 -6.176 12.610 -18.340 1.00 0.00 C ATOM 915 O VAL A 63 -5.694 11.483 -18.260 1.00 0.00 O ATOM 916 CB VAL A 63 -6.360 14.063 -16.252 1.00 0.00 C ATOM 917 CG1 VAL A 63 -4.914 13.636 -16.049 1.00 0.00 C ATOM 918 CG2 VAL A 63 -6.441 15.511 -16.711 1.00 0.00 C ATOM 0 H VAL A 63 -6.967 11.159 -16.474 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.939 13.661 -17.669 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.864 13.994 -15.288 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.423 14.328 -15.365 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.887 12.630 -15.630 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.394 13.644 -17.007 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.905 16.147 -16.006 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.991 15.605 -17.699 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.485 15.820 -16.757 1.00 0.00 H new ATOM 928 N PRO A 64 -5.962 13.389 -19.425 1.00 0.00 N ATOM 929 CA PRO A 64 -4.968 13.065 -20.455 1.00 0.00 C ATOM 930 C PRO A 64 -3.659 12.556 -19.849 1.00 0.00 C ATOM 931 O PRO A 64 -3.082 13.200 -18.974 1.00 0.00 O ATOM 932 CB PRO A 64 -4.741 14.399 -21.185 1.00 0.00 C ATOM 933 CG PRO A 64 -5.645 15.398 -20.524 1.00 0.00 C ATOM 934 CD PRO A 64 -6.681 14.615 -19.769 1.00 0.00 C ATOM 0 HA PRO A 64 -5.312 12.267 -21.113 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.699 14.710 -21.113 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.973 14.306 -22.246 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.081 16.043 -19.850 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.114 16.045 -21.266 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.025 15.147 -18.882 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.561 14.412 -20.379 1.00 0.00 H new ATOM 942 N TRP A 65 -3.204 11.403 -20.335 1.00 0.00 N ATOM 943 CA TRP A 65 -2.074 10.684 -19.739 1.00 0.00 C ATOM 944 C TRP A 65 -0.783 11.502 -19.757 1.00 0.00 C ATOM 945 O TRP A 65 0.114 11.271 -18.949 1.00 0.00 O ATOM 946 CB TRP A 65 -1.849 9.355 -20.471 1.00 0.00 C ATOM 947 CG TRP A 65 -1.246 9.504 -21.840 1.00 0.00 C ATOM 948 CD1 TRP A 65 -1.821 10.075 -22.941 1.00 0.00 C ATOM 949 CD2 TRP A 65 0.054 9.064 -22.250 1.00 0.00 C ATOM 950 NE1 TRP A 65 -0.954 10.026 -24.004 1.00 0.00 N ATOM 951 CE2 TRP A 65 0.204 9.409 -23.608 1.00 0.00 C ATOM 952 CE3 TRP A 65 1.110 8.414 -21.602 1.00 0.00 C ATOM 953 CZ2 TRP A 65 1.361 9.127 -24.324 1.00 0.00 C ATOM 954 CZ3 TRP A 65 2.259 8.134 -22.315 1.00 0.00 C ATOM 955 CH2 TRP A 65 2.376 8.490 -23.665 1.00 0.00 C ATOM 0 H TRP A 65 -3.605 10.940 -21.150 1.00 0.00 H new ATOM 0 HA TRP A 65 -2.331 10.499 -18.696 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -1.198 8.724 -19.865 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.803 8.835 -20.560 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -2.812 10.502 -22.970 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -1.141 10.390 -24.938 1.00 0.00 H new ATOM 0 HE3 TRP A 65 1.028 8.136 -20.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.455 9.401 -25.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 3.080 7.633 -21.824 1.00 0.00 H new ATOM 0 HH2 TRP A 65 3.287 8.256 -24.196 1.00 0.00 H new ATOM 966 N LEU A 66 -0.696 12.458 -20.670 1.00 0.00 N ATOM 967 CA LEU A 66 0.513 13.249 -20.833 1.00 0.00 C ATOM 968 C LEU A 66 0.430 14.530 -20.000 1.00 0.00 C ATOM 969 O LEU A 66 0.932 15.586 -20.397 1.00 0.00 O ATOM 970 CB LEU A 66 0.715 13.570 -22.315 1.00 0.00 C ATOM 971 CG LEU A 66 2.112 14.060 -22.696 1.00 0.00 C ATOM 972 CD1 LEU A 66 3.166 13.038 -22.300 1.00 0.00 C ATOM 973 CD2 LEU A 66 2.183 14.334 -24.187 1.00 0.00 C ATOM 0 H LEU A 66 -1.451 12.705 -21.310 1.00 0.00 H new ATOM 0 HA LEU A 66 1.370 12.677 -20.478 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.491 12.676 -22.897 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.010 14.330 -22.607 1.00 0.00 H new ATOM 0 HG LEU A 66 2.310 14.986 -22.157 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.153 13.406 -22.580 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.131 12.878 -21.222 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.971 12.096 -22.813 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.183 14.682 -24.446 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.964 13.418 -24.736 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.453 15.099 -24.452 1.00 0.00 H new ATOM 985 N GLN A 67 -0.205 14.422 -18.838 1.00 0.00 N ATOM 986 CA GLN A 67 -0.347 15.542 -17.919 1.00 0.00 C ATOM 987 C GLN A 67 -0.594 15.024 -16.504 1.00 0.00 C ATOM 988 O GLN A 67 -1.435 14.152 -16.297 1.00 0.00 O ATOM 989 CB GLN A 67 -1.503 16.444 -18.363 1.00 0.00 C ATOM 990 CG GLN A 67 -1.681 17.688 -17.510 1.00 0.00 C ATOM 991 CD GLN A 67 -2.783 18.592 -18.024 1.00 0.00 C ATOM 992 OE1 GLN A 67 -3.796 18.002 -18.640 1.00 0.00 O flip ATOM 993 NE2 GLN A 67 -2.728 19.809 -17.862 1.00 0.00 N flip ATOM 0 H GLN A 67 -0.634 13.557 -18.509 1.00 0.00 H new ATOM 0 HA GLN A 67 0.573 16.126 -17.925 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.338 16.746 -19.397 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.428 15.868 -18.343 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.906 17.393 -16.485 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.743 18.243 -17.483 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.929 20.224 -17.382 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.481 20.404 -18.208 1.00 0.00 H new ATOM 1002 N THR A 68 0.151 15.558 -15.544 1.00 0.00 N ATOM 1003 CA THR A 68 0.034 15.139 -14.154 1.00 0.00 C ATOM 1004 C THR A 68 -1.323 15.540 -13.568 1.00 0.00 C ATOM 1005 O THR A 68 -2.019 14.714 -12.973 1.00 0.00 O ATOM 1006 CB THR A 68 1.174 15.744 -13.314 1.00 0.00 C ATOM 1007 OG1 THR A 68 2.437 15.419 -13.917 1.00 0.00 O ATOM 1008 CG2 THR A 68 1.142 15.217 -11.885 1.00 0.00 C ATOM 0 H THR A 68 0.847 16.287 -15.705 1.00 0.00 H new ATOM 0 HA THR A 68 0.109 14.052 -14.124 1.00 0.00 H new ATOM 0 HB THR A 68 1.042 16.826 -13.284 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.163 15.805 -13.384 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.958 15.661 -11.315 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.191 15.479 -11.422 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.254 14.133 -11.894 1.00 0.00 H new ATOM 1016 N GLY A 69 -1.676 16.815 -13.726 1.00 0.00 N ATOM 1017 CA GLY A 69 -2.992 17.294 -13.327 1.00 0.00 C ATOM 1018 C GLY A 69 -3.320 17.021 -11.872 1.00 0.00 C ATOM 1019 O GLY A 69 -4.205 16.219 -11.580 1.00 0.00 O ATOM 0 H GLY A 69 -1.069 17.530 -14.126 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.050 18.367 -13.509 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.747 16.823 -13.956 1.00 0.00 H new ATOM 1091 N HIS A 74 -7.231 13.555 -5.690 1.00 0.00 N ATOM 1092 CA HIS A 74 -7.602 12.477 -4.780 1.00 0.00 C ATOM 1093 C HIS A 74 -8.761 12.904 -3.893 1.00 0.00 C ATOM 1094 O HIS A 74 -8.865 14.071 -3.518 1.00 0.00 O ATOM 1095 CB HIS A 74 -6.407 12.073 -3.906 1.00 0.00 C ATOM 1096 CG HIS A 74 -5.149 11.818 -4.677 1.00 0.00 C ATOM 1097 ND1 HIS A 74 -3.943 12.390 -4.351 1.00 0.00 N ATOM 1098 CD2 HIS A 74 -4.919 11.062 -5.777 1.00 0.00 C ATOM 1099 CE1 HIS A 74 -3.028 12.005 -5.216 1.00 0.00 C ATOM 1100 NE2 HIS A 74 -3.590 11.196 -6.094 1.00 0.00 N ATOM 0 HA HIS A 74 -7.909 11.620 -5.379 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -6.221 12.861 -3.176 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.666 11.175 -3.346 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -5.646 10.465 -6.307 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.990 12.302 -5.208 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -3.116 10.746 -6.877 1.00 0.00 H new ATOM 1109 N ALA A 75 -9.632 11.961 -3.565 1.00 0.00 N ATOM 1110 CA ALA A 75 -10.753 12.233 -2.684 1.00 0.00 C ATOM 1111 C ALA A 75 -10.367 11.970 -1.235 1.00 0.00 C ATOM 1112 O ALA A 75 -9.383 11.282 -0.961 1.00 0.00 O ATOM 1113 CB ALA A 75 -11.956 11.385 -3.074 1.00 0.00 C ATOM 0 H ALA A 75 -9.582 10.998 -3.898 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.023 13.284 -2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.787 11.602 -2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.247 11.616 -4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.696 10.329 -3.000 1.00 0.00 H new ATOM 1119 N ASP A 76 -11.157 12.507 -0.320 1.00 0.00 N ATOM 1120 CA ASP A 76 -10.917 12.345 1.118 1.00 0.00 C ATOM 1121 C ASP A 76 -11.094 10.882 1.519 1.00 0.00 C ATOM 1122 O ASP A 76 -10.416 10.376 2.412 1.00 0.00 O ATOM 1123 CB ASP A 76 -11.893 13.234 1.900 1.00 0.00 C ATOM 1124 CG ASP A 76 -11.659 13.234 3.403 1.00 0.00 C ATOM 1125 OD1 ASP A 76 -12.180 12.330 4.097 1.00 0.00 O ATOM 1126 OD2 ASP A 76 -10.989 14.163 3.903 1.00 0.00 O ATOM 0 H ASP A 76 -11.980 13.066 -0.544 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.895 12.644 1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.814 14.256 1.530 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.912 12.901 1.701 1.00 0.00 H new ATOM 1131 N ASP A 77 -11.997 10.210 0.818 1.00 0.00 N ATOM 1132 CA ASP A 77 -12.331 8.814 1.091 1.00 0.00 C ATOM 1133 C ASP A 77 -11.235 7.860 0.595 1.00 0.00 C ATOM 1134 O ASP A 77 -11.239 6.670 0.915 1.00 0.00 O ATOM 1135 CB ASP A 77 -13.669 8.480 0.422 1.00 0.00 C ATOM 1136 CG ASP A 77 -14.165 7.082 0.742 1.00 0.00 C ATOM 1137 OD1 ASP A 77 -14.552 6.837 1.908 1.00 0.00 O ATOM 1138 OD2 ASP A 77 -14.177 6.227 -0.168 1.00 0.00 O ATOM 0 H ASP A 77 -12.521 10.616 0.042 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.410 8.682 2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -14.418 9.206 0.740 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.563 8.583 -0.658 1.00 0.00 H new ATOM 1143 N CYS A 78 -10.284 8.390 -0.164 1.00 0.00 N ATOM 1144 CA CYS A 78 -9.235 7.571 -0.755 1.00 0.00 C ATOM 1145 C CYS A 78 -8.130 7.275 0.257 1.00 0.00 C ATOM 1146 O CYS A 78 -7.500 8.190 0.792 1.00 0.00 O ATOM 1147 CB CYS A 78 -8.645 8.266 -1.983 1.00 0.00 C ATOM 1148 SG CYS A 78 -9.834 8.538 -3.318 1.00 0.00 S ATOM 0 H CYS A 78 -10.218 9.384 -0.384 1.00 0.00 H new ATOM 0 HA CYS A 78 -9.682 6.625 -1.060 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -8.230 9.227 -1.679 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -7.818 7.667 -2.364 1.00 0.00 H new ATOM 0 HG CYS A 78 -9.682 7.622 -4.228 1.00 0.00 H new ATOM 1154 N PRO A 79 -7.864 5.982 0.513 1.00 0.00 N ATOM 1155 CA PRO A 79 -6.831 5.550 1.462 1.00 0.00 C ATOM 1156 C PRO A 79 -5.428 5.964 1.023 1.00 0.00 C ATOM 1157 O PRO A 79 -4.488 5.947 1.816 1.00 0.00 O ATOM 1158 CB PRO A 79 -6.956 4.021 1.469 1.00 0.00 C ATOM 1159 CG PRO A 79 -8.300 3.734 0.894 1.00 0.00 C ATOM 1160 CD PRO A 79 -8.565 4.834 -0.089 1.00 0.00 C ATOM 0 HA PRO A 79 -6.972 6.005 2.442 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.167 3.559 0.875 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -6.868 3.624 2.480 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -8.317 2.760 0.405 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -9.062 3.713 1.673 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.175 4.595 -1.079 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.632 5.026 -0.204 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.299 6.344 -0.243 1.00 0.00 N ATOM 1169 CA VAL A 80 -4.025 6.788 -0.789 1.00 0.00 C ATOM 1170 C VAL A 80 -3.522 8.043 -0.074 1.00 0.00 C ATOM 1171 O VAL A 80 -2.317 8.259 0.040 1.00 0.00 O ATOM 1172 CB VAL A 80 -4.112 7.058 -2.308 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -4.438 5.778 -3.061 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -5.140 8.136 -2.621 1.00 0.00 C ATOM 0 H VAL A 80 -6.068 6.353 -0.913 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.316 5.976 -0.624 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.138 7.418 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.495 5.989 -4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.658 5.039 -2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.395 5.387 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.177 8.302 -3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.121 7.816 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.859 9.063 -2.120 1.00 0.00 H new ATOM 1184 N VAL A 81 -4.452 8.867 0.413 1.00 0.00 N ATOM 1185 CA VAL A 81 -4.089 10.076 1.140 1.00 0.00 C ATOM 1186 C VAL A 81 -3.367 9.708 2.433 1.00 0.00 C ATOM 1187 O VAL A 81 -2.451 10.403 2.872 1.00 0.00 O ATOM 1188 CB VAL A 81 -5.330 10.941 1.464 1.00 0.00 C ATOM 1189 CG1 VAL A 81 -4.933 12.217 2.198 1.00 0.00 C ATOM 1190 CG2 VAL A 81 -6.109 11.258 0.192 1.00 0.00 C ATOM 0 H VAL A 81 -5.456 8.717 0.316 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.427 10.662 0.502 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.980 10.369 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.825 12.806 2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.434 11.959 3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.255 12.800 1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.978 11.867 0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.469 11.805 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.438 10.329 -0.274 1.00 0.00 H new ATOM 1200 N ILE A 82 -3.773 8.593 3.028 1.00 0.00 N ATOM 1201 CA ILE A 82 -3.142 8.097 4.245 1.00 0.00 C ATOM 1202 C ILE A 82 -1.741 7.584 3.937 1.00 0.00 C ATOM 1203 O ILE A 82 -0.771 7.968 4.592 1.00 0.00 O ATOM 1204 CB ILE A 82 -3.968 6.963 4.899 1.00 0.00 C ATOM 1205 CG1 ILE A 82 -5.388 7.453 5.220 1.00 0.00 C ATOM 1206 CG2 ILE A 82 -3.268 6.452 6.159 1.00 0.00 C ATOM 1207 CD1 ILE A 82 -5.437 8.557 6.256 1.00 0.00 C ATOM 0 H ILE A 82 -4.539 8.013 2.686 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.089 8.929 4.947 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.045 6.135 4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.855 7.809 4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.981 6.610 5.574 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.861 5.655 6.607 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.282 6.067 5.897 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.161 7.269 6.872 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.473 8.849 6.428 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.001 8.200 7.189 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.873 9.418 5.897 1.00 0.00 H new ATOM 1219 N ALA A 83 -1.648 6.740 2.912 1.00 0.00 N ATOM 1220 CA ALA A 83 -0.375 6.158 2.493 1.00 0.00 C ATOM 1221 C ALA A 83 0.639 7.243 2.150 1.00 0.00 C ATOM 1222 O ALA A 83 1.810 7.150 2.518 1.00 0.00 O ATOM 1223 CB ALA A 83 -0.584 5.233 1.302 1.00 0.00 C ATOM 0 H ALA A 83 -2.447 6.442 2.352 1.00 0.00 H new ATOM 0 HA ALA A 83 0.022 5.577 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.373 4.806 1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.268 4.431 1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.007 5.799 0.472 1.00 0.00 H new ATOM 1229 N LYS A 84 0.173 8.279 1.456 1.00 0.00 N ATOM 1230 CA LYS A 84 1.032 9.393 1.078 1.00 0.00 C ATOM 1231 C LYS A 84 1.612 10.059 2.316 1.00 0.00 C ATOM 1232 O LYS A 84 2.811 10.317 2.387 1.00 0.00 O ATOM 1233 CB LYS A 84 0.253 10.424 0.258 1.00 0.00 C ATOM 1234 CG LYS A 84 0.981 10.850 -1.004 1.00 0.00 C ATOM 1235 CD LYS A 84 1.077 9.696 -1.989 1.00 0.00 C ATOM 1236 CE LYS A 84 2.022 10.000 -3.143 1.00 0.00 C ATOM 1237 NZ LYS A 84 1.648 11.232 -3.885 1.00 0.00 N ATOM 0 H LYS A 84 -0.794 8.368 1.145 1.00 0.00 H new ATOM 0 HA LYS A 84 1.845 9.000 0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.717 10.007 -0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.062 11.302 0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.457 11.686 -1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.981 11.202 -0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.420 8.803 -1.467 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.085 9.474 -2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.036 10.107 -2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.031 9.155 -3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.273 11.344 -4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.662 11.158 -4.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.748 12.057 -3.260 1.00 0.00 H new ATOM 1251 N GLN A 85 0.752 10.322 3.290 1.00 0.00 N ATOM 1252 CA GLN A 85 1.163 10.932 4.545 1.00 0.00 C ATOM 1253 C GLN A 85 2.234 10.099 5.247 1.00 0.00 C ATOM 1254 O GLN A 85 3.234 10.635 5.723 1.00 0.00 O ATOM 1255 CB GLN A 85 -0.045 11.093 5.461 1.00 0.00 C ATOM 1256 CG GLN A 85 -0.980 12.223 5.066 1.00 0.00 C ATOM 1257 CD GLN A 85 -2.238 12.244 5.908 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -2.287 12.871 6.967 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -3.270 11.564 5.438 1.00 0.00 N ATOM 0 H GLN A 85 -0.246 10.119 3.232 1.00 0.00 H new ATOM 0 HA GLN A 85 1.589 11.910 4.320 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.606 10.159 5.471 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.305 11.265 6.479 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -0.460 13.175 5.169 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.250 12.119 4.015 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.188 11.058 4.556 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.148 11.546 5.957 1.00 0.00 H new ATOM 1268 N ILE A 86 2.022 8.788 5.295 1.00 0.00 N ATOM 1269 CA ILE A 86 2.936 7.881 5.982 1.00 0.00 C ATOM 1270 C ILE A 86 4.337 7.928 5.373 1.00 0.00 C ATOM 1271 O ILE A 86 5.336 7.963 6.092 1.00 0.00 O ATOM 1272 CB ILE A 86 2.415 6.427 5.954 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.041 6.344 6.626 1.00 0.00 C ATOM 1274 CG2 ILE A 86 3.400 5.491 6.646 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.411 4.968 6.564 1.00 0.00 C ATOM 0 H ILE A 86 1.221 8.327 4.864 1.00 0.00 H new ATOM 0 HA ILE A 86 2.991 8.218 7.017 1.00 0.00 H new ATOM 0 HB ILE A 86 2.317 6.115 4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.139 6.641 7.670 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.371 7.061 6.152 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.016 4.472 6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.361 5.531 6.134 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.528 5.800 7.683 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.559 4.989 7.061 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.279 4.675 5.522 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.059 4.248 7.064 1.00 0.00 H new ATOM 1287 N LEU A 87 4.411 7.951 4.049 1.00 0.00 N ATOM 1288 CA LEU A 87 5.698 7.930 3.366 1.00 0.00 C ATOM 1289 C LEU A 87 6.340 9.317 3.341 1.00 0.00 C ATOM 1290 O LEU A 87 7.491 9.473 2.926 1.00 0.00 O ATOM 1291 CB LEU A 87 5.548 7.360 1.943 1.00 0.00 C ATOM 1292 CG LEU A 87 4.609 8.114 0.988 1.00 0.00 C ATOM 1293 CD1 LEU A 87 5.314 9.294 0.334 1.00 0.00 C ATOM 1294 CD2 LEU A 87 4.065 7.168 -0.070 1.00 0.00 C ATOM 0 H LEU A 87 3.601 7.984 3.430 1.00 0.00 H new ATOM 0 HA LEU A 87 6.364 7.274 3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.537 7.322 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.195 6.332 2.025 1.00 0.00 H new ATOM 0 HG LEU A 87 3.777 8.506 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.622 9.806 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.654 9.987 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.171 8.935 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.401 7.714 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.892 6.747 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.511 6.363 0.412 1.00 0.00 H new ATOM 1306 N SER A 88 5.598 10.316 3.805 1.00 0.00 N ATOM 1307 CA SER A 88 6.065 11.689 3.796 1.00 0.00 C ATOM 1308 C SER A 88 6.505 12.152 5.186 1.00 0.00 C ATOM 1309 O SER A 88 6.416 13.338 5.502 1.00 0.00 O ATOM 1310 CB SER A 88 4.954 12.594 3.275 1.00 0.00 C ATOM 1311 OG SER A 88 4.558 12.207 1.971 1.00 0.00 O ATOM 0 H SER A 88 4.663 10.194 4.194 1.00 0.00 H new ATOM 0 HA SER A 88 6.935 11.747 3.142 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.098 12.550 3.948 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.297 13.628 3.263 1.00 0.00 H new ATOM 0 HG SER A 88 4.089 11.348 2.013 1.00 0.00 H new ATOM 1317 N SER A 89 6.986 11.217 6.009 1.00 0.00 N ATOM 1318 CA SER A 89 7.547 11.569 7.313 1.00 0.00 C ATOM 1319 C SER A 89 8.656 12.604 7.126 1.00 0.00 C ATOM 1320 O SER A 89 8.795 13.552 7.904 1.00 0.00 O ATOM 1321 CB SER A 89 8.089 10.321 8.022 1.00 0.00 C ATOM 1322 OG SER A 89 8.607 10.638 9.306 1.00 0.00 O ATOM 0 H SER A 89 6.998 10.219 5.797 1.00 0.00 H new ATOM 0 HA SER A 89 6.761 11.995 7.937 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.293 9.583 8.121 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.872 9.867 7.414 1.00 0.00 H new ATOM 0 HG SER A 89 8.943 9.823 9.733 1.00 0.00 H new ATOM 1328 N ARG A 90 9.440 12.412 6.076 1.00 0.00 N ATOM 1329 CA ARG A 90 10.386 13.416 5.637 1.00 0.00 C ATOM 1330 C ARG A 90 9.722 14.230 4.536 1.00 0.00 C ATOM 1331 O ARG A 90 9.296 13.666 3.526 1.00 0.00 O ATOM 1332 CB ARG A 90 11.674 12.755 5.138 1.00 0.00 C ATOM 1333 CG ARG A 90 12.330 11.864 6.184 1.00 0.00 C ATOM 1334 CD ARG A 90 13.546 11.132 5.636 1.00 0.00 C ATOM 1335 NE ARG A 90 14.065 10.160 6.599 1.00 0.00 N ATOM 1336 CZ ARG A 90 14.942 9.201 6.304 1.00 0.00 C ATOM 1337 NH1 ARG A 90 15.451 9.092 5.083 1.00 0.00 N ATOM 1338 NH2 ARG A 90 15.311 8.342 7.243 1.00 0.00 N ATOM 0 H ARG A 90 9.436 11.563 5.511 1.00 0.00 H new ATOM 0 HA ARG A 90 10.662 14.070 6.464 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.451 12.161 4.251 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.379 13.529 4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.628 12.470 7.039 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.603 11.137 6.546 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.279 10.622 4.711 1.00 0.00 H new ATOM 0 HD3 ARG A 90 14.325 11.853 5.389 1.00 0.00 H new ATOM 0 HE ARG A 90 13.733 10.221 7.562 1.00 0.00 H new ATOM 0 HH11 ARG A 90 15.172 9.748 4.354 1.00 0.00 H new ATOM 0 HH12 ARG A 90 16.121 8.352 4.874 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.924 8.418 8.184 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.982 7.605 7.025 1.00 0.00 H new ATOM 1710 N TYR B 18 5.005 8.119 14.526 1.00 0.00 N ATOM 1711 CA TYR B 18 3.722 7.439 14.509 1.00 0.00 C ATOM 1712 C TYR B 18 3.853 5.955 14.838 1.00 0.00 C ATOM 1713 O TYR B 18 2.940 5.363 15.401 1.00 0.00 O ATOM 1714 CB TYR B 18 3.023 7.653 13.157 1.00 0.00 C ATOM 1715 CG TYR B 18 3.923 7.545 11.941 1.00 0.00 C ATOM 1716 CD1 TYR B 18 4.787 8.579 11.596 1.00 0.00 C ATOM 1717 CD2 TYR B 18 3.905 6.417 11.130 1.00 0.00 C ATOM 1718 CE1 TYR B 18 5.602 8.493 10.484 1.00 0.00 C ATOM 1719 CE2 TYR B 18 4.719 6.326 10.016 1.00 0.00 C ATOM 1720 CZ TYR B 18 5.566 7.365 9.699 1.00 0.00 C ATOM 1721 OH TYR B 18 6.384 7.277 8.596 1.00 0.00 O ATOM 0 HA TYR B 18 3.104 7.878 15.292 1.00 0.00 H new ATOM 0 HB2 TYR B 18 2.220 6.922 13.061 1.00 0.00 H new ATOM 0 HB3 TYR B 18 2.558 8.639 13.159 1.00 0.00 H new ATOM 0 HD1 TYR B 18 4.821 9.467 12.210 1.00 0.00 H new ATOM 0 HD2 TYR B 18 3.245 5.598 11.374 1.00 0.00 H new ATOM 0 HE1 TYR B 18 6.264 9.308 10.232 1.00 0.00 H new ATOM 0 HE2 TYR B 18 4.691 5.442 9.396 1.00 0.00 H new ATOM 0 HH TYR B 18 5.885 7.545 7.796 1.00 0.00 H new ATOM 1731 N PHE B 19 4.989 5.353 14.507 1.00 0.00 N ATOM 1732 CA PHE B 19 5.229 3.964 14.876 1.00 0.00 C ATOM 1733 C PHE B 19 5.504 3.852 16.370 1.00 0.00 C ATOM 1734 O PHE B 19 5.819 4.851 17.017 1.00 0.00 O ATOM 1735 CB PHE B 19 6.397 3.375 14.082 1.00 0.00 C ATOM 1736 CG PHE B 19 6.084 3.133 12.634 1.00 0.00 C ATOM 1737 CD1 PHE B 19 5.092 2.236 12.270 1.00 0.00 C ATOM 1738 CD2 PHE B 19 6.770 3.806 11.639 1.00 0.00 C ATOM 1739 CE1 PHE B 19 4.796 2.009 10.940 1.00 0.00 C ATOM 1740 CE2 PHE B 19 6.478 3.583 10.307 1.00 0.00 C ATOM 1741 CZ PHE B 19 5.489 2.685 9.957 1.00 0.00 C ATOM 0 H PHE B 19 5.749 5.797 13.991 1.00 0.00 H new ATOM 0 HA PHE B 19 4.332 3.394 14.636 1.00 0.00 H new ATOM 0 HB2 PHE B 19 7.249 4.051 14.152 1.00 0.00 H new ATOM 0 HB3 PHE B 19 6.698 2.434 14.541 1.00 0.00 H new ATOM 0 HD1 PHE B 19 4.544 1.708 13.036 1.00 0.00 H new ATOM 0 HD2 PHE B 19 7.542 4.513 11.906 1.00 0.00 H new ATOM 0 HE1 PHE B 19 4.024 1.304 10.670 1.00 0.00 H new ATOM 0 HE2 PHE B 19 7.024 4.111 9.539 1.00 0.00 H new ATOM 0 HZ PHE B 19 5.259 2.512 8.916 1.00 0.00 H new ATOM 1751 N GLN B 20 5.364 2.636 16.908 1.00 0.00 N ATOM 1752 CA GLN B 20 5.597 2.358 18.332 1.00 0.00 C ATOM 1753 C GLN B 20 4.434 2.854 19.198 1.00 0.00 C ATOM 1754 O GLN B 20 3.966 2.140 20.086 1.00 0.00 O ATOM 1755 CB GLN B 20 6.936 2.958 18.799 1.00 0.00 C ATOM 1756 CG GLN B 20 7.135 2.959 20.308 1.00 0.00 C ATOM 1757 CD GLN B 20 7.024 1.579 20.927 1.00 0.00 C ATOM 1758 OE1 GLN B 20 7.327 0.567 20.294 1.00 0.00 O ATOM 1759 NE2 GLN B 20 6.587 1.533 22.174 1.00 0.00 N ATOM 0 H GLN B 20 5.086 1.815 16.370 1.00 0.00 H new ATOM 0 HA GLN B 20 5.654 1.276 18.453 1.00 0.00 H new ATOM 0 HB2 GLN B 20 7.750 2.399 18.338 1.00 0.00 H new ATOM 0 HB3 GLN B 20 7.007 3.983 18.435 1.00 0.00 H new ATOM 0 HG2 GLN B 20 8.116 3.375 20.538 1.00 0.00 H new ATOM 0 HG3 GLN B 20 6.395 3.616 20.765 1.00 0.00 H new ATOM 0 HE21 GLN B 20 6.347 2.396 22.662 1.00 0.00 H new ATOM 0 HE22 GLN B 20 6.490 0.635 22.648 1.00 0.00 H new ATOM 1768 N GLY B 21 3.960 4.059 18.933 1.00 0.00 N ATOM 1769 CA GLY B 21 2.844 4.596 19.685 1.00 0.00 C ATOM 1770 C GLY B 21 1.534 4.444 18.946 1.00 0.00 C ATOM 1771 O GLY B 21 0.782 5.405 18.795 1.00 0.00 O ATOM 0 H GLY B 21 4.327 4.677 18.210 1.00 0.00 H new ATOM 0 HA2 GLY B 21 2.778 4.088 20.647 1.00 0.00 H new ATOM 0 HA3 GLY B 21 3.022 5.651 19.893 1.00 0.00 H new ATOM 1775 N MET B 22 1.260 3.234 18.485 1.00 0.00 N ATOM 1776 CA MET B 22 0.043 2.967 17.732 1.00 0.00 C ATOM 1777 C MET B 22 -0.903 2.083 18.510 1.00 0.00 C ATOM 1778 O MET B 22 -0.519 1.422 19.474 1.00 0.00 O ATOM 1779 CB MET B 22 0.362 2.309 16.390 1.00 0.00 C ATOM 1780 CG MET B 22 0.765 3.284 15.302 1.00 0.00 C ATOM 1781 SD MET B 22 -0.539 4.474 14.929 1.00 0.00 S ATOM 1782 CE MET B 22 0.186 5.347 13.544 1.00 0.00 C ATOM 0 H MET B 22 1.862 2.422 18.618 1.00 0.00 H new ATOM 0 HA MET B 22 -0.440 3.928 17.554 1.00 0.00 H new ATOM 0 HB2 MET B 22 1.167 1.588 16.533 1.00 0.00 H new ATOM 0 HB3 MET B 22 -0.511 1.749 16.056 1.00 0.00 H new ATOM 0 HG2 MET B 22 1.663 3.818 15.611 1.00 0.00 H new ATOM 0 HG3 MET B 22 1.018 2.731 14.398 1.00 0.00 H new ATOM 0 HE1 MET B 22 0.108 6.421 13.710 1.00 0.00 H new ATOM 0 HE2 MET B 22 1.236 5.070 13.448 1.00 0.00 H new ATOM 0 HE3 MET B 22 -0.344 5.082 12.629 1.00 0.00 H new ATOM 1792 N THR B 23 -2.148 2.091 18.080 1.00 0.00 N ATOM 1793 CA THR B 23 -3.167 1.267 18.676 1.00 0.00 C ATOM 1794 C THR B 23 -3.468 0.087 17.750 1.00 0.00 C ATOM 1795 O THR B 23 -2.980 0.048 16.622 1.00 0.00 O ATOM 1796 CB THR B 23 -4.440 2.100 18.913 1.00 0.00 C ATOM 1797 OG1 THR B 23 -4.079 3.460 19.198 1.00 0.00 O ATOM 1798 CG2 THR B 23 -5.231 1.549 20.079 1.00 0.00 C ATOM 0 H THR B 23 -2.477 2.670 17.308 1.00 0.00 H new ATOM 0 HA THR B 23 -2.817 0.888 19.636 1.00 0.00 H new ATOM 0 HB THR B 23 -5.053 2.054 18.013 1.00 0.00 H new ATOM 0 HG1 THR B 23 -4.890 3.989 19.347 1.00 0.00 H new ATOM 0 HG21 THR B 23 -6.126 2.152 20.229 1.00 0.00 H new ATOM 0 HG22 THR B 23 -5.519 0.519 19.869 1.00 0.00 H new ATOM 0 HG23 THR B 23 -4.619 1.578 20.980 1.00 0.00 H new ATOM 1806 N ASP B 24 -4.268 -0.863 18.223 1.00 0.00 N ATOM 1807 CA ASP B 24 -4.638 -2.040 17.432 1.00 0.00 C ATOM 1808 C ASP B 24 -5.324 -1.632 16.130 1.00 0.00 C ATOM 1809 O ASP B 24 -5.299 -2.362 15.140 1.00 0.00 O ATOM 1810 CB ASP B 24 -5.578 -2.939 18.240 1.00 0.00 C ATOM 1811 CG ASP B 24 -5.004 -3.323 19.590 1.00 0.00 C ATOM 1812 OD1 ASP B 24 -4.806 -2.421 20.434 1.00 0.00 O ATOM 1813 OD2 ASP B 24 -4.755 -4.523 19.819 1.00 0.00 O ATOM 0 H ASP B 24 -4.677 -0.843 19.157 1.00 0.00 H new ATOM 0 HA ASP B 24 -3.725 -2.584 17.190 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -6.528 -2.425 18.387 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -5.789 -3.843 17.669 1.00 0.00 H new ATOM 1818 N THR B 25 -5.927 -0.452 16.139 1.00 0.00 N ATOM 1819 CA THR B 25 -6.644 0.063 14.984 1.00 0.00 C ATOM 1820 C THR B 25 -5.686 0.484 13.862 1.00 0.00 C ATOM 1821 O THR B 25 -6.106 0.696 12.726 1.00 0.00 O ATOM 1822 CB THR B 25 -7.513 1.260 15.396 1.00 0.00 C ATOM 1823 OG1 THR B 25 -8.145 0.973 16.653 1.00 0.00 O ATOM 1824 CG2 THR B 25 -8.580 1.559 14.351 1.00 0.00 C ATOM 0 H THR B 25 -5.933 0.173 16.945 1.00 0.00 H new ATOM 0 HA THR B 25 -7.277 -0.739 14.604 1.00 0.00 H new ATOM 0 HB THR B 25 -6.870 2.136 15.484 1.00 0.00 H new ATOM 0 HG1 THR B 25 -8.700 1.735 16.922 1.00 0.00 H new ATOM 0 HG21 THR B 25 -9.177 2.412 14.674 1.00 0.00 H new ATOM 0 HG22 THR B 25 -8.102 1.791 13.399 1.00 0.00 H new ATOM 0 HG23 THR B 25 -9.225 0.689 14.231 1.00 0.00 H new ATOM 1832 N ALA B 26 -4.397 0.585 14.172 1.00 0.00 N ATOM 1833 CA ALA B 26 -3.400 0.949 13.170 1.00 0.00 C ATOM 1834 C ALA B 26 -3.385 -0.075 12.044 1.00 0.00 C ATOM 1835 O ALA B 26 -3.268 0.274 10.871 1.00 0.00 O ATOM 1836 CB ALA B 26 -2.021 1.067 13.799 1.00 0.00 C ATOM 0 H ALA B 26 -4.019 0.421 15.105 1.00 0.00 H new ATOM 0 HA ALA B 26 -3.669 1.920 12.755 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -1.294 1.339 13.034 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -2.038 1.835 14.572 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -1.740 0.112 14.243 1.00 0.00 H new ATOM 1842 N ALA B 27 -3.545 -1.339 12.410 1.00 0.00 N ATOM 1843 CA ALA B 27 -3.574 -2.421 11.436 1.00 0.00 C ATOM 1844 C ALA B 27 -4.801 -2.303 10.543 1.00 0.00 C ATOM 1845 O ALA B 27 -4.785 -2.705 9.380 1.00 0.00 O ATOM 1846 CB ALA B 27 -3.564 -3.765 12.141 1.00 0.00 C ATOM 0 H ALA B 27 -3.657 -1.641 13.378 1.00 0.00 H new ATOM 0 HA ALA B 27 -2.684 -2.347 10.812 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -3.586 -4.564 11.400 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -2.660 -3.853 12.743 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -4.439 -3.844 12.786 1.00 0.00 H new ATOM 1852 N GLU B 28 -5.858 -1.726 11.097 1.00 0.00 N ATOM 1853 CA GLU B 28 -7.119 -1.586 10.386 1.00 0.00 C ATOM 1854 C GLU B 28 -7.021 -0.481 9.337 1.00 0.00 C ATOM 1855 O GLU B 28 -7.535 -0.617 8.228 1.00 0.00 O ATOM 1856 CB GLU B 28 -8.249 -1.286 11.376 1.00 0.00 C ATOM 1857 CG GLU B 28 -9.639 -1.469 10.791 1.00 0.00 C ATOM 1858 CD GLU B 28 -9.859 -2.876 10.281 1.00 0.00 C ATOM 1859 OE1 GLU B 28 -9.912 -3.811 11.107 1.00 0.00 O ATOM 1860 OE2 GLU B 28 -9.968 -3.056 9.053 1.00 0.00 O ATOM 0 H GLU B 28 -5.866 -1.345 12.043 1.00 0.00 H new ATOM 0 HA GLU B 28 -7.340 -2.524 9.876 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -8.141 -1.936 12.244 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -8.146 -0.261 11.731 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -10.385 -1.238 11.551 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -9.785 -0.761 9.975 1.00 0.00 H new ATOM 1867 N ASP B 29 -6.343 0.607 9.686 1.00 0.00 N ATOM 1868 CA ASP B 29 -6.181 1.729 8.764 1.00 0.00 C ATOM 1869 C ASP B 29 -5.191 1.362 7.656 1.00 0.00 C ATOM 1870 O ASP B 29 -5.265 1.875 6.540 1.00 0.00 O ATOM 1871 CB ASP B 29 -5.715 2.979 9.514 1.00 0.00 C ATOM 1872 CG ASP B 29 -5.993 4.252 8.741 1.00 0.00 C ATOM 1873 OD1 ASP B 29 -7.187 4.565 8.517 1.00 0.00 O ATOM 1874 OD2 ASP B 29 -5.037 4.965 8.386 1.00 0.00 O ATOM 0 H ASP B 29 -5.899 0.737 10.595 1.00 0.00 H new ATOM 0 HA ASP B 29 -7.146 1.948 8.308 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -6.216 3.027 10.481 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -4.646 2.903 9.712 1.00 0.00 H new ATOM 1879 N VAL B 30 -4.270 0.455 7.974 1.00 0.00 N ATOM 1880 CA VAL B 30 -3.368 -0.100 6.972 1.00 0.00 C ATOM 1881 C VAL B 30 -4.131 -1.055 6.057 1.00 0.00 C ATOM 1882 O VAL B 30 -3.932 -1.058 4.838 1.00 0.00 O ATOM 1883 CB VAL B 30 -2.168 -0.831 7.617 1.00 0.00 C ATOM 1884 CG1 VAL B 30 -1.308 -1.500 6.555 1.00 0.00 C ATOM 1885 CG2 VAL B 30 -1.334 0.145 8.433 1.00 0.00 C ATOM 0 H VAL B 30 -4.130 0.090 8.916 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.972 0.730 6.387 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.555 -1.605 8.280 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -0.470 -2.008 7.032 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -1.907 -2.226 6.006 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -0.930 -0.746 5.865 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.492 -0.382 8.882 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.961 0.937 7.783 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -1.950 0.581 9.219 1.00 0.00 H new ATOM 1895 N ARG B 31 -5.022 -1.854 6.647 1.00 0.00 N ATOM 1896 CA ARG B 31 -5.874 -2.756 5.876 1.00 0.00 C ATOM 1897 C ARG B 31 -6.737 -1.940 4.920 1.00 0.00 C ATOM 1898 O ARG B 31 -7.022 -2.364 3.804 1.00 0.00 O ATOM 1899 CB ARG B 31 -6.783 -3.581 6.797 1.00 0.00 C ATOM 1900 CG ARG B 31 -7.245 -4.889 6.173 1.00 0.00 C ATOM 1901 CD ARG B 31 -8.620 -5.320 6.665 1.00 0.00 C ATOM 1902 NE ARG B 31 -8.765 -5.238 8.118 1.00 0.00 N ATOM 1903 CZ ARG B 31 -8.558 -6.251 8.960 1.00 0.00 C ATOM 1904 NH1 ARG B 31 -8.065 -7.407 8.521 1.00 0.00 N ATOM 1905 NH2 ARG B 31 -8.831 -6.094 10.249 1.00 0.00 N ATOM 0 H ARG B 31 -5.171 -1.894 7.655 1.00 0.00 H new ATOM 0 HA ARG B 31 -5.234 -3.440 5.319 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -6.250 -3.797 7.723 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -7.656 -2.985 7.063 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -7.269 -4.781 5.089 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -6.521 -5.671 6.400 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -9.379 -4.695 6.195 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -8.808 -6.345 6.345 1.00 0.00 H new ATOM 0 HE ARG B 31 -9.045 -4.341 8.516 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -7.842 -7.524 7.533 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -7.910 -8.176 9.173 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -9.196 -5.204 10.588 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -8.676 -6.863 10.901 1.00 0.00 H new ATOM 1919 N LYS B 32 -7.132 -0.761 5.382 1.00 0.00 N ATOM 1920 CA LYS B 32 -7.912 0.190 4.594 1.00 0.00 C ATOM 1921 C LYS B 32 -7.245 0.454 3.245 1.00 0.00 C ATOM 1922 O LYS B 32 -7.898 0.423 2.201 1.00 0.00 O ATOM 1923 CB LYS B 32 -8.022 1.497 5.390 1.00 0.00 C ATOM 1924 CG LYS B 32 -8.835 2.598 4.732 1.00 0.00 C ATOM 1925 CD LYS B 32 -10.318 2.435 4.998 1.00 0.00 C ATOM 1926 CE LYS B 32 -11.042 3.766 4.886 1.00 0.00 C ATOM 1927 NZ LYS B 32 -10.519 4.763 5.863 1.00 0.00 N ATOM 0 H LYS B 32 -6.919 -0.433 6.324 1.00 0.00 H new ATOM 0 HA LYS B 32 -8.903 -0.222 4.401 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -8.464 1.274 6.361 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -7.016 1.874 5.576 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -8.503 3.567 5.104 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -8.655 2.590 3.657 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -10.742 1.725 4.288 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -10.469 2.018 5.994 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -10.932 4.156 3.874 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -12.108 3.616 5.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -11.276 5.429 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -10.187 4.271 6.717 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -9.728 5.286 5.436 1.00 0.00 H new ATOM 1941 N ILE B 33 -5.943 0.697 3.280 1.00 0.00 N ATOM 1942 CA ILE B 33 -5.177 0.971 2.074 1.00 0.00 C ATOM 1943 C ILE B 33 -4.966 -0.312 1.273 1.00 0.00 C ATOM 1944 O ILE B 33 -5.164 -0.347 0.058 1.00 0.00 O ATOM 1945 CB ILE B 33 -3.801 1.580 2.420 1.00 0.00 C ATOM 1946 CG1 ILE B 33 -3.963 2.753 3.391 1.00 0.00 C ATOM 1947 CG2 ILE B 33 -3.089 2.033 1.155 1.00 0.00 C ATOM 1948 CD1 ILE B 33 -2.647 3.303 3.905 1.00 0.00 C ATOM 0 H ILE B 33 -5.392 0.710 4.138 1.00 0.00 H new ATOM 0 HA ILE B 33 -5.744 1.686 1.478 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.195 0.813 2.903 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -4.511 3.553 2.893 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -4.568 2.431 4.238 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -2.121 2.460 1.416 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -2.943 1.179 0.494 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -3.693 2.785 0.647 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -2.840 4.131 4.587 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -2.105 2.518 4.432 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -2.048 3.656 3.066 1.00 0.00 H new ATOM 1960 N ALA B 34 -4.589 -1.368 1.983 1.00 0.00 N ATOM 1961 CA ALA B 34 -4.252 -2.648 1.369 1.00 0.00 C ATOM 1962 C ALA B 34 -5.449 -3.286 0.659 1.00 0.00 C ATOM 1963 O ALA B 34 -5.280 -3.995 -0.330 1.00 0.00 O ATOM 1964 CB ALA B 34 -3.690 -3.594 2.419 1.00 0.00 C ATOM 0 H ALA B 34 -4.508 -1.362 3.000 1.00 0.00 H new ATOM 0 HA ALA B 34 -3.495 -2.458 0.608 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -3.441 -4.548 1.953 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -2.792 -3.159 2.858 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -4.434 -3.755 3.199 1.00 0.00 H new ATOM 1970 N THR B 35 -6.653 -3.042 1.166 1.00 0.00 N ATOM 1971 CA THR B 35 -7.862 -3.643 0.608 1.00 0.00 C ATOM 1972 C THR B 35 -8.049 -3.291 -0.872 1.00 0.00 C ATOM 1973 O THR B 35 -8.592 -4.088 -1.645 1.00 0.00 O ATOM 1974 CB THR B 35 -9.118 -3.222 1.410 1.00 0.00 C ATOM 1975 OG1 THR B 35 -9.003 -3.665 2.768 1.00 0.00 O ATOM 1976 CG2 THR B 35 -10.392 -3.799 0.805 1.00 0.00 C ATOM 0 H THR B 35 -6.819 -2.430 1.965 1.00 0.00 H new ATOM 0 HA THR B 35 -7.737 -4.723 0.686 1.00 0.00 H new ATOM 0 HB THR B 35 -9.181 -2.134 1.373 1.00 0.00 H new ATOM 0 HG1 THR B 35 -8.163 -3.336 3.149 1.00 0.00 H new ATOM 0 HG21 THR B 35 -11.251 -3.481 1.395 1.00 0.00 H new ATOM 0 HG22 THR B 35 -10.503 -3.441 -0.219 1.00 0.00 H new ATOM 0 HG23 THR B 35 -10.334 -4.887 0.805 1.00 0.00 H new ATOM 1984 N ALA B 36 -7.575 -2.114 -1.269 1.00 0.00 N ATOM 1985 CA ALA B 36 -7.710 -1.657 -2.647 1.00 0.00 C ATOM 1986 C ALA B 36 -6.973 -2.579 -3.614 1.00 0.00 C ATOM 1987 O ALA B 36 -7.393 -2.754 -4.760 1.00 0.00 O ATOM 1988 CB ALA B 36 -7.193 -0.233 -2.776 1.00 0.00 C ATOM 0 H ALA B 36 -7.093 -1.458 -0.654 1.00 0.00 H new ATOM 0 HA ALA B 36 -8.768 -1.679 -2.909 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -7.298 0.100 -3.809 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -7.768 0.423 -2.123 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -6.142 -0.200 -2.489 1.00 0.00 H new ATOM 1994 N LEU B 37 -5.893 -3.189 -3.133 1.00 0.00 N ATOM 1995 CA LEU B 37 -5.042 -4.034 -3.962 1.00 0.00 C ATOM 1996 C LEU B 37 -5.792 -5.280 -4.419 1.00 0.00 C ATOM 1997 O LEU B 37 -5.689 -5.695 -5.573 1.00 0.00 O ATOM 1998 CB LEU B 37 -3.797 -4.452 -3.178 1.00 0.00 C ATOM 1999 CG LEU B 37 -3.121 -3.333 -2.384 1.00 0.00 C ATOM 2000 CD1 LEU B 37 -1.895 -3.864 -1.656 1.00 0.00 C ATOM 2001 CD2 LEU B 37 -2.744 -2.174 -3.296 1.00 0.00 C ATOM 0 H LEU B 37 -5.585 -3.112 -2.164 1.00 0.00 H new ATOM 0 HA LEU B 37 -4.748 -3.460 -4.840 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -4.072 -5.250 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -3.071 -4.870 -3.876 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.829 -2.963 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -1.426 -3.055 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -2.194 -4.655 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -1.185 -4.262 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.265 -1.390 -2.709 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -2.055 -2.525 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.642 -1.776 -3.768 1.00 0.00 H new ATOM 2013 N LEU B 38 -6.550 -5.863 -3.504 1.00 0.00 N ATOM 2014 CA LEU B 38 -7.289 -7.088 -3.782 1.00 0.00 C ATOM 2015 C LEU B 38 -8.414 -6.833 -4.777 1.00 0.00 C ATOM 2016 O LEU B 38 -8.856 -7.744 -5.483 1.00 0.00 O ATOM 2017 CB LEU B 38 -7.856 -7.697 -2.492 1.00 0.00 C ATOM 2018 CG LEU B 38 -6.834 -8.365 -1.564 1.00 0.00 C ATOM 2019 CD1 LEU B 38 -5.928 -7.336 -0.902 1.00 0.00 C ATOM 2020 CD2 LEU B 38 -7.540 -9.202 -0.508 1.00 0.00 C ATOM 0 H LEU B 38 -6.671 -5.506 -2.556 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.590 -7.799 -4.222 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -8.365 -6.911 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.610 -8.436 -2.762 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.210 -9.019 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -5.216 -7.843 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.387 -6.781 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -6.531 -6.646 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -6.799 -9.669 0.142 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.193 -8.563 0.086 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -8.135 -9.975 -0.994 1.00 0.00 H new ATOM 2032 N LYS B 39 -8.888 -5.597 -4.823 1.00 0.00 N ATOM 2033 CA LYS B 39 -9.954 -5.229 -5.735 1.00 0.00 C ATOM 2034 C LYS B 39 -9.406 -4.802 -7.088 1.00 0.00 C ATOM 2035 O LYS B 39 -9.794 -5.350 -8.121 1.00 0.00 O ATOM 2036 CB LYS B 39 -10.809 -4.124 -5.124 1.00 0.00 C ATOM 2037 CG LYS B 39 -11.793 -4.638 -4.086 1.00 0.00 C ATOM 2038 CD LYS B 39 -12.819 -5.577 -4.711 1.00 0.00 C ATOM 2039 CE LYS B 39 -13.689 -6.253 -3.661 1.00 0.00 C ATOM 2040 NZ LYS B 39 -12.929 -7.254 -2.864 1.00 0.00 N ATOM 0 H LYS B 39 -8.549 -4.833 -4.238 1.00 0.00 H new ATOM 0 HA LYS B 39 -10.579 -6.107 -5.898 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -10.158 -3.382 -4.663 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -11.358 -3.617 -5.917 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -11.252 -5.160 -3.297 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -12.304 -3.796 -3.619 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -13.451 -5.016 -5.399 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -12.304 -6.337 -5.299 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -14.103 -5.498 -2.993 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -14.531 -6.743 -4.150 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -13.591 -7.819 -2.294 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -12.402 -7.881 -3.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -12.262 -6.763 -2.235 1.00 0.00 H new ATOM 2054 N THR B 40 -8.494 -3.841 -7.089 1.00 0.00 N ATOM 2055 CA THR B 40 -7.947 -3.331 -8.332 1.00 0.00 C ATOM 2056 C THR B 40 -6.502 -2.861 -8.169 1.00 0.00 C ATOM 2057 O THR B 40 -6.219 -1.706 -7.842 1.00 0.00 O ATOM 2058 CB THR B 40 -8.821 -2.202 -8.921 1.00 0.00 C ATOM 2059 OG1 THR B 40 -8.178 -1.609 -10.053 1.00 0.00 O ATOM 2060 CG2 THR B 40 -9.138 -1.132 -7.885 1.00 0.00 C ATOM 0 H THR B 40 -8.121 -3.403 -6.247 1.00 0.00 H new ATOM 0 HA THR B 40 -7.950 -4.163 -9.037 1.00 0.00 H new ATOM 0 HB THR B 40 -9.762 -2.652 -9.236 1.00 0.00 H new ATOM 0 HG1 THR B 40 -8.173 -0.634 -9.953 1.00 0.00 H new ATOM 0 HG21 THR B 40 -9.754 -0.357 -8.340 1.00 0.00 H new ATOM 0 HG22 THR B 40 -9.677 -1.581 -7.051 1.00 0.00 H new ATOM 0 HG23 THR B 40 -8.210 -0.691 -7.522 1.00 0.00 H new ATOM 2068 N ALA B 41 -5.593 -3.800 -8.368 1.00 0.00 N ATOM 2069 CA ALA B 41 -4.170 -3.508 -8.430 1.00 0.00 C ATOM 2070 C ALA B 41 -3.570 -4.202 -9.642 1.00 0.00 C ATOM 2071 O ALA B 41 -2.359 -4.206 -9.850 1.00 0.00 O ATOM 2072 CB ALA B 41 -3.464 -3.949 -7.156 1.00 0.00 C ATOM 0 H ALA B 41 -5.820 -4.787 -8.491 1.00 0.00 H new ATOM 0 HA ALA B 41 -4.033 -2.431 -8.524 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -2.401 -3.718 -7.230 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -3.891 -3.422 -6.303 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -3.594 -5.023 -7.021 1.00 0.00 H new ATOM 2078 N ILE B 42 -4.446 -4.795 -10.440 1.00 0.00 N ATOM 2079 CA ILE B 42 -4.036 -5.516 -11.632 1.00 0.00 C ATOM 2080 C ILE B 42 -4.533 -4.784 -12.870 1.00 0.00 C ATOM 2081 O ILE B 42 -5.732 -4.543 -13.016 1.00 0.00 O ATOM 2082 CB ILE B 42 -4.585 -6.963 -11.632 1.00 0.00 C ATOM 2083 CG1 ILE B 42 -4.094 -7.734 -10.398 1.00 0.00 C ATOM 2084 CG2 ILE B 42 -4.186 -7.691 -12.907 1.00 0.00 C ATOM 2085 CD1 ILE B 42 -2.585 -7.869 -10.316 1.00 0.00 C ATOM 0 H ILE B 42 -5.453 -4.789 -10.280 1.00 0.00 H new ATOM 0 HA ILE B 42 -2.947 -5.564 -11.640 1.00 0.00 H new ATOM 0 HB ILE B 42 -5.673 -6.910 -11.592 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -4.453 -7.230 -9.501 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -4.538 -8.729 -10.404 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -4.582 -8.706 -12.886 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -4.590 -7.162 -13.770 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -3.099 -7.727 -12.980 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.318 -8.425 -9.418 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.219 -8.401 -11.194 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -2.133 -6.878 -10.277 1.00 0.00 H new ATOM 2097 N GLU B 43 -3.612 -4.419 -13.747 1.00 0.00 N ATOM 2098 CA GLU B 43 -3.961 -3.691 -14.955 1.00 0.00 C ATOM 2099 C GLU B 43 -3.902 -4.622 -16.161 1.00 0.00 C ATOM 2100 O GLU B 43 -3.150 -5.600 -16.167 1.00 0.00 O ATOM 2101 CB GLU B 43 -3.020 -2.492 -15.127 1.00 0.00 C ATOM 2102 CG GLU B 43 -1.548 -2.869 -15.221 1.00 0.00 C ATOM 2103 CD GLU B 43 -0.619 -1.753 -14.784 1.00 0.00 C ATOM 2104 OE1 GLU B 43 -0.685 -0.645 -15.362 1.00 0.00 O ATOM 2105 OE2 GLU B 43 0.194 -1.977 -13.859 1.00 0.00 O ATOM 0 H GLU B 43 -2.616 -4.615 -13.644 1.00 0.00 H new ATOM 0 HA GLU B 43 -4.980 -3.314 -14.873 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -3.303 -1.947 -16.028 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -3.157 -1.812 -14.286 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -1.364 -3.749 -14.604 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -1.315 -3.146 -16.249 1.00 0.00 H new ATOM 2112 N ILE B 44 -4.718 -4.347 -17.165 1.00 0.00 N ATOM 2113 CA ILE B 44 -4.759 -5.179 -18.345 1.00 0.00 C ATOM 2114 C ILE B 44 -3.947 -4.570 -19.480 1.00 0.00 C ATOM 2115 O ILE B 44 -4.269 -3.500 -19.995 1.00 0.00 O ATOM 2116 CB ILE B 44 -6.205 -5.429 -18.816 1.00 0.00 C ATOM 2117 CG1 ILE B 44 -6.983 -4.111 -18.938 1.00 0.00 C ATOM 2118 CG2 ILE B 44 -6.914 -6.386 -17.871 1.00 0.00 C ATOM 2119 CD1 ILE B 44 -8.330 -4.268 -19.605 1.00 0.00 C ATOM 0 H ILE B 44 -5.359 -3.553 -17.182 1.00 0.00 H new ATOM 0 HA ILE B 44 -4.316 -6.136 -18.070 1.00 0.00 H new ATOM 0 HB ILE B 44 -6.164 -5.885 -19.805 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -7.126 -3.689 -17.943 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -6.386 -3.397 -19.505 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -7.934 -6.552 -18.218 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -6.380 -7.336 -17.847 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -6.937 -5.958 -16.869 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -8.825 -3.298 -19.658 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -8.194 -4.661 -20.612 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -8.944 -4.958 -19.026 1.00 0.00 H new ATOM 2131 N VAL B 45 -2.885 -5.255 -19.860 1.00 0.00 N ATOM 2132 CA VAL B 45 -2.076 -4.831 -20.984 1.00 0.00 C ATOM 2133 C VAL B 45 -2.596 -5.475 -22.262 1.00 0.00 C ATOM 2134 O VAL B 45 -2.702 -6.700 -22.359 1.00 0.00 O ATOM 2135 CB VAL B 45 -0.576 -5.161 -20.781 1.00 0.00 C ATOM 2136 CG1 VAL B 45 0.006 -4.294 -19.677 1.00 0.00 C ATOM 2137 CG2 VAL B 45 -0.369 -6.636 -20.452 1.00 0.00 C ATOM 0 H VAL B 45 -2.563 -6.109 -19.405 1.00 0.00 H new ATOM 0 HA VAL B 45 -2.156 -3.747 -21.063 1.00 0.00 H new ATOM 0 HB VAL B 45 -0.058 -4.949 -21.716 1.00 0.00 H new ATOM 0 HG11 VAL B 45 1.061 -4.535 -19.543 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -0.095 -3.243 -19.948 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -0.530 -4.481 -18.746 1.00 0.00 H new ATOM 0 HG21 VAL B 45 0.694 -6.833 -20.316 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -0.904 -6.883 -19.535 1.00 0.00 H new ATOM 0 HG23 VAL B 45 -0.749 -7.248 -21.270 1.00 0.00 H new ATOM 2147 N SER B 46 -2.955 -4.652 -23.231 1.00 0.00 N ATOM 2148 CA SER B 46 -3.526 -5.150 -24.466 1.00 0.00 C ATOM 2149 C SER B 46 -2.430 -5.562 -25.439 1.00 0.00 C ATOM 2150 O SER B 46 -1.386 -4.907 -25.543 1.00 0.00 O ATOM 2151 CB SER B 46 -4.436 -4.095 -25.101 1.00 0.00 C ATOM 2152 OG SER B 46 -5.082 -4.595 -26.259 1.00 0.00 O ATOM 0 H SER B 46 -2.861 -3.637 -23.185 1.00 0.00 H new ATOM 0 HA SER B 46 -4.126 -6.030 -24.233 1.00 0.00 H new ATOM 0 HB2 SER B 46 -5.184 -3.774 -24.376 1.00 0.00 H new ATOM 0 HB3 SER B 46 -3.848 -3.215 -25.362 1.00 0.00 H new ATOM 0 HG SER B 46 -5.206 -5.563 -26.172 1.00 0.00 H new ATOM 2158 N GLU B 47 -2.674 -6.657 -26.137 1.00 0.00 N ATOM 2159 CA GLU B 47 -1.744 -7.157 -27.134 1.00 0.00 C ATOM 2160 C GLU B 47 -1.928 -6.383 -28.424 1.00 0.00 C ATOM 2161 O GLU B 47 -3.060 -6.151 -28.852 1.00 0.00 O ATOM 2162 CB GLU B 47 -1.979 -8.647 -27.392 1.00 0.00 C ATOM 2163 CG GLU B 47 -1.939 -9.496 -26.138 1.00 0.00 C ATOM 2164 CD GLU B 47 -2.146 -10.964 -26.427 1.00 0.00 C ATOM 2165 OE1 GLU B 47 -3.291 -11.365 -26.706 1.00 0.00 O ATOM 2166 OE2 GLU B 47 -1.162 -11.732 -26.353 1.00 0.00 O ATOM 0 H GLU B 47 -3.517 -7.222 -26.030 1.00 0.00 H new ATOM 0 HA GLU B 47 -0.727 -7.025 -26.764 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.947 -8.775 -27.876 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -1.224 -9.009 -28.090 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -0.979 -9.359 -25.641 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -2.708 -9.153 -25.446 1.00 0.00 H new ATOM 2173 N GLU B 48 -0.823 -5.994 -29.039 1.00 0.00 N ATOM 2174 CA GLU B 48 -0.856 -5.230 -30.277 1.00 0.00 C ATOM 2175 C GLU B 48 -1.503 -6.044 -31.390 1.00 0.00 C ATOM 2176 O GLU B 48 -2.125 -5.493 -32.300 1.00 0.00 O ATOM 2177 CB GLU B 48 0.565 -4.821 -30.664 1.00 0.00 C ATOM 2178 CG GLU B 48 0.639 -3.841 -31.825 1.00 0.00 C ATOM 2179 CD GLU B 48 2.029 -3.271 -32.007 1.00 0.00 C ATOM 2180 OE1 GLU B 48 2.859 -3.912 -32.681 1.00 0.00 O ATOM 2181 OE2 GLU B 48 2.300 -2.178 -31.468 1.00 0.00 O ATOM 0 H GLU B 48 0.117 -6.197 -28.698 1.00 0.00 H new ATOM 0 HA GLU B 48 -1.455 -4.332 -30.126 1.00 0.00 H new ATOM 0 HB2 GLU B 48 1.052 -4.376 -29.796 1.00 0.00 H new ATOM 0 HB3 GLU B 48 1.131 -5.716 -30.922 1.00 0.00 H new ATOM 0 HG2 GLU B 48 0.332 -4.344 -32.742 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -0.066 -3.027 -31.656 1.00 0.00 H new ATOM 2188 N ASP B 49 -1.360 -7.358 -31.302 1.00 0.00 N ATOM 2189 CA ASP B 49 -1.961 -8.268 -32.269 1.00 0.00 C ATOM 2190 C ASP B 49 -3.481 -8.291 -32.123 1.00 0.00 C ATOM 2191 O ASP B 49 -4.205 -8.554 -33.084 1.00 0.00 O ATOM 2192 CB ASP B 49 -1.402 -9.680 -32.082 1.00 0.00 C ATOM 2193 CG ASP B 49 -1.857 -10.637 -33.163 1.00 0.00 C ATOM 2194 OD1 ASP B 49 -1.229 -10.653 -34.244 1.00 0.00 O ATOM 2195 OD2 ASP B 49 -2.830 -11.381 -32.939 1.00 0.00 O ATOM 0 H ASP B 49 -0.829 -7.822 -30.565 1.00 0.00 H new ATOM 0 HA ASP B 49 -1.714 -7.912 -33.269 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -0.313 -9.637 -32.076 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -1.712 -10.063 -31.110 1.00 0.00 H new ATOM 2200 N GLY B 50 -3.962 -7.999 -30.920 1.00 0.00 N ATOM 2201 CA GLY B 50 -5.393 -7.994 -30.671 1.00 0.00 C ATOM 2202 C GLY B 50 -5.786 -8.911 -29.532 1.00 0.00 C ATOM 2203 O GLY B 50 -6.466 -9.913 -29.743 1.00 0.00 O ATOM 0 H GLY B 50 -3.386 -7.765 -30.111 1.00 0.00 H new ATOM 0 HA2 GLY B 50 -5.715 -6.978 -30.443 1.00 0.00 H new ATOM 0 HA3 GLY B 50 -5.917 -8.299 -31.577 1.00 0.00 H new ATOM 2207 N GLY B 51 -5.362 -8.572 -28.324 1.00 0.00 N ATOM 2208 CA GLY B 51 -5.696 -9.368 -27.163 1.00 0.00 C ATOM 2209 C GLY B 51 -5.471 -8.588 -25.887 1.00 0.00 C ATOM 2210 O GLY B 51 -5.398 -7.356 -25.922 1.00 0.00 O ATOM 0 H GLY B 51 -4.788 -7.752 -28.127 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -6.738 -9.683 -27.222 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -5.089 -10.273 -27.152 1.00 0.00 H new ATOM 2214 N ALA B 52 -5.335 -9.287 -24.769 1.00 0.00 N ATOM 2215 CA ALA B 52 -5.144 -8.640 -23.473 1.00 0.00 C ATOM 2216 C ALA B 52 -4.608 -9.622 -22.433 1.00 0.00 C ATOM 2217 O ALA B 52 -4.935 -10.808 -22.450 1.00 0.00 O ATOM 2218 CB ALA B 52 -6.450 -8.028 -22.987 1.00 0.00 C ATOM 0 H ALA B 52 -5.353 -10.306 -24.731 1.00 0.00 H new ATOM 0 HA ALA B 52 -4.406 -7.849 -23.604 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -6.290 -7.550 -22.020 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -6.794 -7.285 -23.707 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -7.203 -8.810 -22.885 1.00 0.00 H new ATOM 2224 N HIS B 53 -3.767 -9.118 -21.541 1.00 0.00 N ATOM 2225 CA HIS B 53 -3.246 -9.909 -20.429 1.00 0.00 C ATOM 2226 C HIS B 53 -3.364 -9.125 -19.129 1.00 0.00 C ATOM 2227 O HIS B 53 -3.162 -7.912 -19.111 1.00 0.00 O ATOM 2228 CB HIS B 53 -1.775 -10.288 -20.655 1.00 0.00 C ATOM 2229 CG HIS B 53 -1.555 -11.231 -21.798 1.00 0.00 C ATOM 2230 ND1 HIS B 53 -1.795 -12.583 -21.714 1.00 0.00 N ATOM 2231 CD2 HIS B 53 -1.124 -11.004 -23.058 1.00 0.00 C ATOM 2232 CE1 HIS B 53 -1.523 -13.146 -22.876 1.00 0.00 C ATOM 2233 NE2 HIS B 53 -1.114 -12.211 -23.710 1.00 0.00 N ATOM 0 H HIS B 53 -3.427 -8.157 -21.565 1.00 0.00 H new ATOM 0 HA HIS B 53 -3.837 -10.823 -20.367 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -1.200 -9.379 -20.832 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -1.383 -10.741 -19.744 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -0.840 -10.049 -23.475 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -1.619 -14.197 -23.105 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -0.836 -12.360 -24.680 1.00 0.00 H new ATOM 2242 N ASN B 54 -3.690 -9.813 -18.049 1.00 0.00 N ATOM 2243 CA ASN B 54 -3.706 -9.189 -16.734 1.00 0.00 C ATOM 2244 C ASN B 54 -2.285 -9.170 -16.202 1.00 0.00 C ATOM 2245 O ASN B 54 -1.600 -10.195 -16.237 1.00 0.00 O ATOM 2246 CB ASN B 54 -4.598 -9.959 -15.753 1.00 0.00 C ATOM 2247 CG ASN B 54 -6.005 -10.186 -16.269 1.00 0.00 C ATOM 2248 OD1 ASN B 54 -6.244 -11.361 -16.827 1.00 0.00 O flip ATOM 2249 ND2 ASN B 54 -6.875 -9.327 -16.145 1.00 0.00 N flip ATOM 0 H ASN B 54 -3.947 -10.800 -18.054 1.00 0.00 H new ATOM 0 HA ASN B 54 -4.108 -8.180 -16.830 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -4.139 -10.923 -15.536 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -4.648 -9.411 -14.812 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -6.650 -8.433 -15.709 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -7.822 -9.508 -16.478 1.00 0.00 H new ATOM 2256 N GLN B 55 -1.823 -8.023 -15.741 1.00 0.00 N ATOM 2257 CA GLN B 55 -0.460 -7.919 -15.258 1.00 0.00 C ATOM 2258 C GLN B 55 -0.318 -6.833 -14.204 1.00 0.00 C ATOM 2259 O GLN B 55 -0.962 -5.791 -14.273 1.00 0.00 O ATOM 2260 CB GLN B 55 0.489 -7.633 -16.427 1.00 0.00 C ATOM 2261 CG GLN B 55 1.953 -7.525 -16.025 1.00 0.00 C ATOM 2262 CD GLN B 55 2.877 -7.297 -17.205 1.00 0.00 C ATOM 2263 OE1 GLN B 55 2.516 -7.845 -18.353 1.00 0.00 O flip ATOM 2264 NE2 GLN B 55 3.915 -6.647 -17.081 1.00 0.00 N flip ATOM 0 H GLN B 55 -2.364 -7.160 -15.691 1.00 0.00 H new ATOM 0 HA GLN B 55 -0.199 -8.871 -14.796 1.00 0.00 H new ATOM 0 HB2 GLN B 55 0.384 -8.425 -17.169 1.00 0.00 H new ATOM 0 HB3 GLN B 55 0.186 -6.703 -16.908 1.00 0.00 H new ATOM 0 HG2 GLN B 55 2.070 -6.705 -15.316 1.00 0.00 H new ATOM 0 HG3 GLN B 55 2.250 -8.438 -15.509 1.00 0.00 H new ATOM 0 HE21 GLN B 55 4.157 -6.240 -16.177 1.00 0.00 H new ATOM 0 HE22 GLN B 55 4.533 -6.515 -17.882 1.00 0.00 H new ATOM 2273 N CYS B 56 0.501 -7.113 -13.210 1.00 0.00 N ATOM 2274 CA CYS B 56 0.959 -6.095 -12.290 1.00 0.00 C ATOM 2275 C CYS B 56 2.374 -5.706 -12.691 1.00 0.00 C ATOM 2276 O CYS B 56 3.243 -6.574 -12.799 1.00 0.00 O ATOM 2277 CB CYS B 56 0.930 -6.617 -10.849 1.00 0.00 C ATOM 2278 SG CYS B 56 1.554 -5.448 -9.619 1.00 0.00 S ATOM 0 H CYS B 56 0.865 -8.047 -13.019 1.00 0.00 H new ATOM 0 HA CYS B 56 0.303 -5.225 -12.335 1.00 0.00 H new ATOM 0 HB2 CYS B 56 -0.095 -6.883 -10.592 1.00 0.00 H new ATOM 0 HB3 CYS B 56 1.520 -7.532 -10.795 1.00 0.00 H new ATOM 0 HG CYS B 56 0.769 -4.413 -9.566 1.00 0.00 H new ATOM 2284 N LYS B 57 2.608 -4.415 -12.921 1.00 0.00 N ATOM 2285 CA LYS B 57 3.902 -3.943 -13.426 1.00 0.00 C ATOM 2286 C LYS B 57 5.034 -4.177 -12.423 1.00 0.00 C ATOM 2287 O LYS B 57 6.196 -3.892 -12.711 1.00 0.00 O ATOM 2288 CB LYS B 57 3.839 -2.458 -13.800 1.00 0.00 C ATOM 2289 CG LYS B 57 3.523 -1.536 -12.632 1.00 0.00 C ATOM 2290 CD LYS B 57 3.755 -0.078 -12.996 1.00 0.00 C ATOM 2291 CE LYS B 57 2.874 0.370 -14.154 1.00 0.00 C ATOM 2292 NZ LYS B 57 1.430 0.318 -13.806 1.00 0.00 N ATOM 0 H LYS B 57 1.922 -3.676 -12.767 1.00 0.00 H new ATOM 0 HA LYS B 57 4.119 -4.528 -14.320 1.00 0.00 H new ATOM 0 HB2 LYS B 57 4.794 -2.163 -14.234 1.00 0.00 H new ATOM 0 HB3 LYS B 57 3.082 -2.321 -14.572 1.00 0.00 H new ATOM 0 HG2 LYS B 57 2.486 -1.676 -12.327 1.00 0.00 H new ATOM 0 HG3 LYS B 57 4.145 -1.803 -11.778 1.00 0.00 H new ATOM 0 HD2 LYS B 57 3.556 0.548 -12.126 1.00 0.00 H new ATOM 0 HD3 LYS B 57 4.802 0.067 -13.261 1.00 0.00 H new ATOM 0 HE2 LYS B 57 3.142 1.387 -14.441 1.00 0.00 H new ATOM 0 HE3 LYS B 57 3.062 -0.265 -15.020 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 0.864 0.614 -14.627 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 1.172 -0.654 -13.540 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 1.242 0.957 -13.007 1.00 0.00 H new ATOM 2306 N LEU B 58 4.694 -4.691 -11.250 1.00 0.00 N ATOM 2307 CA LEU B 58 5.692 -5.041 -10.252 1.00 0.00 C ATOM 2308 C LEU B 58 6.272 -6.424 -10.538 1.00 0.00 C ATOM 2309 O LEU B 58 7.172 -6.879 -9.830 1.00 0.00 O ATOM 2310 CB LEU B 58 5.093 -5.001 -8.841 1.00 0.00 C ATOM 2311 CG LEU B 58 4.934 -3.607 -8.220 1.00 0.00 C ATOM 2312 CD1 LEU B 58 3.929 -2.764 -8.990 1.00 0.00 C ATOM 2313 CD2 LEU B 58 4.522 -3.724 -6.763 1.00 0.00 C ATOM 0 H LEU B 58 3.732 -4.875 -10.966 1.00 0.00 H new ATOM 0 HA LEU B 58 6.494 -4.305 -10.306 1.00 0.00 H new ATOM 0 HB2 LEU B 58 4.114 -5.479 -8.869 1.00 0.00 H new ATOM 0 HB3 LEU B 58 5.722 -5.601 -8.183 1.00 0.00 H new ATOM 0 HG LEU B 58 5.899 -3.104 -8.276 1.00 0.00 H new ATOM 0 HD11 LEU B 58 3.842 -1.784 -8.522 1.00 0.00 H new ATOM 0 HD12 LEU B 58 4.266 -2.646 -10.020 1.00 0.00 H new ATOM 0 HD13 LEU B 58 2.957 -3.258 -8.981 1.00 0.00 H new ATOM 0 HD21 LEU B 58 4.413 -2.728 -6.335 1.00 0.00 H new ATOM 0 HD22 LEU B 58 3.572 -4.254 -6.695 1.00 0.00 H new ATOM 0 HD23 LEU B 58 5.285 -4.274 -6.212 1.00 0.00 H new ATOM 2325 N CYS B 59 5.729 -7.091 -11.567 1.00 0.00 N ATOM 2326 CA CYS B 59 6.223 -8.394 -12.027 1.00 0.00 C ATOM 2327 C CYS B 59 5.819 -9.503 -11.064 1.00 0.00 C ATOM 2328 O CYS B 59 6.415 -10.582 -11.054 1.00 0.00 O ATOM 2329 CB CYS B 59 7.746 -8.371 -12.214 1.00 0.00 C ATOM 2330 SG CYS B 59 8.322 -7.109 -13.372 1.00 0.00 S ATOM 0 H CYS B 59 4.935 -6.741 -12.103 1.00 0.00 H new ATOM 0 HA CYS B 59 5.764 -8.599 -12.994 1.00 0.00 H new ATOM 0 HB2 CYS B 59 8.219 -8.205 -11.246 1.00 0.00 H new ATOM 0 HB3 CYS B 59 8.074 -9.349 -12.565 1.00 0.00 H new ATOM 0 HG CYS B 59 9.618 -7.163 -13.464 1.00 0.00 H new ATOM 2336 N GLY B 60 4.779 -9.238 -10.284 1.00 0.00 N ATOM 2337 CA GLY B 60 4.305 -10.214 -9.325 1.00 0.00 C ATOM 2338 C GLY B 60 3.463 -11.293 -9.966 1.00 0.00 C ATOM 2339 O GLY B 60 3.661 -12.480 -9.707 1.00 0.00 O ATOM 0 H GLY B 60 4.255 -8.363 -10.299 1.00 0.00 H new ATOM 0 HA2 GLY B 60 5.159 -10.672 -8.826 1.00 0.00 H new ATOM 0 HA3 GLY B 60 3.720 -9.709 -8.557 1.00 0.00 H new ATOM 2343 N ALA B 61 2.532 -10.882 -10.818 1.00 0.00 N ATOM 2344 CA ALA B 61 1.610 -11.817 -11.444 1.00 0.00 C ATOM 2345 C ALA B 61 1.165 -11.308 -12.807 1.00 0.00 C ATOM 2346 O ALA B 61 1.012 -10.099 -13.014 1.00 0.00 O ATOM 2347 CB ALA B 61 0.401 -12.050 -10.547 1.00 0.00 C ATOM 0 H ALA B 61 2.397 -9.908 -11.090 1.00 0.00 H new ATOM 0 HA ALA B 61 2.130 -12.764 -11.586 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -0.280 -12.752 -11.029 1.00 0.00 H new ATOM 0 HB2 ALA B 61 0.730 -12.461 -9.593 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -0.113 -11.104 -10.377 1.00 0.00 H new ATOM 2353 N SER B 62 0.976 -12.236 -13.733 1.00 0.00 N ATOM 2354 CA SER B 62 0.475 -11.917 -15.058 1.00 0.00 C ATOM 2355 C SER B 62 -0.143 -13.163 -15.686 1.00 0.00 C ATOM 2356 O SER B 62 0.434 -14.249 -15.620 1.00 0.00 O ATOM 2357 CB SER B 62 1.594 -11.366 -15.949 1.00 0.00 C ATOM 2358 OG SER B 62 1.062 -10.804 -17.136 1.00 0.00 O ATOM 0 H SER B 62 1.165 -13.227 -13.586 1.00 0.00 H new ATOM 0 HA SER B 62 -0.289 -11.145 -14.966 1.00 0.00 H new ATOM 0 HB2 SER B 62 2.159 -10.609 -15.405 1.00 0.00 H new ATOM 0 HB3 SER B 62 2.291 -12.165 -16.201 1.00 0.00 H new ATOM 0 HG SER B 62 0.126 -10.555 -16.989 1.00 0.00 H new ATOM 2364 N VAL B 63 -1.318 -12.999 -16.280 1.00 0.00 N ATOM 2365 CA VAL B 63 -2.065 -14.119 -16.837 1.00 0.00 C ATOM 2366 C VAL B 63 -3.022 -13.630 -17.929 1.00 0.00 C ATOM 2367 O VAL B 63 -3.512 -12.503 -17.861 1.00 0.00 O ATOM 2368 CB VAL B 63 -2.862 -14.838 -15.714 1.00 0.00 C ATOM 2369 CG1 VAL B 63 -3.916 -13.918 -15.117 1.00 0.00 C ATOM 2370 CG2 VAL B 63 -3.498 -16.127 -16.212 1.00 0.00 C ATOM 0 H VAL B 63 -1.777 -12.094 -16.389 1.00 0.00 H new ATOM 0 HA VAL B 63 -1.361 -14.823 -17.279 1.00 0.00 H new ATOM 0 HB VAL B 63 -2.150 -15.100 -14.931 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -4.459 -14.447 -14.334 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -3.433 -13.038 -14.693 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -4.613 -13.609 -15.896 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -4.046 -16.600 -15.398 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -4.184 -15.902 -17.029 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -2.720 -16.803 -16.567 1.00 0.00 H new ATOM 2380 N PRO B 64 -3.247 -14.438 -18.984 1.00 0.00 N ATOM 2381 CA PRO B 64 -4.295 -14.179 -19.981 1.00 0.00 C ATOM 2382 C PRO B 64 -5.622 -13.772 -19.332 1.00 0.00 C ATOM 2383 O PRO B 64 -5.942 -14.215 -18.228 1.00 0.00 O ATOM 2384 CB PRO B 64 -4.433 -15.528 -20.682 1.00 0.00 C ATOM 2385 CG PRO B 64 -3.073 -16.127 -20.607 1.00 0.00 C ATOM 2386 CD PRO B 64 -2.473 -15.655 -19.309 1.00 0.00 C ATOM 0 HA PRO B 64 -4.043 -13.355 -20.648 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -5.172 -16.158 -20.188 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -4.757 -15.407 -21.716 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -3.125 -17.215 -20.638 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -2.463 -15.813 -21.454 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -2.567 -16.409 -18.528 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -1.410 -15.437 -19.416 1.00 0.00 H new ATOM 2394 N TRP B 65 -6.390 -12.924 -20.004 1.00 0.00 N ATOM 2395 CA TRP B 65 -7.619 -12.412 -19.413 1.00 0.00 C ATOM 2396 C TRP B 65 -8.750 -13.433 -19.537 1.00 0.00 C ATOM 2397 O TRP B 65 -8.639 -14.399 -20.299 1.00 0.00 O ATOM 2398 CB TRP B 65 -8.009 -11.051 -20.014 1.00 0.00 C ATOM 2399 CG TRP B 65 -8.518 -11.090 -21.426 1.00 0.00 C ATOM 2400 CD1 TRP B 65 -8.094 -11.894 -22.446 1.00 0.00 C ATOM 2401 CD2 TRP B 65 -9.541 -10.254 -21.977 1.00 0.00 C ATOM 2402 NE1 TRP B 65 -8.801 -11.616 -23.587 1.00 0.00 N ATOM 2403 CE2 TRP B 65 -9.695 -10.615 -23.326 1.00 0.00 C ATOM 2404 CE3 TRP B 65 -10.349 -9.239 -21.455 1.00 0.00 C ATOM 2405 CZ2 TRP B 65 -10.619 -9.996 -24.161 1.00 0.00 C ATOM 2406 CZ3 TRP B 65 -11.266 -8.624 -22.286 1.00 0.00 C ATOM 2407 CH2 TRP B 65 -11.395 -9.007 -23.627 1.00 0.00 C ATOM 0 H TRP B 65 -6.189 -12.581 -20.943 1.00 0.00 H new ATOM 0 HA TRP B 65 -7.438 -12.249 -18.351 1.00 0.00 H new ATOM 0 HB2 TRP B 65 -8.775 -10.601 -19.383 1.00 0.00 H new ATOM 0 HB3 TRP B 65 -7.139 -10.395 -19.978 1.00 0.00 H new ATOM 0 HD1 TRP B 65 -7.316 -12.639 -22.365 1.00 0.00 H new ATOM 0 HE1 TRP B 65 -8.680 -12.081 -24.487 1.00 0.00 H new ATOM 0 HE3 TRP B 65 -10.258 -8.941 -20.421 1.00 0.00 H new ATOM 0 HZ2 TRP B 65 -10.719 -10.287 -25.196 1.00 0.00 H new ATOM 0 HZ3 TRP B 65 -11.893 -7.836 -21.895 1.00 0.00 H new ATOM 0 HH2 TRP B 65 -12.123 -8.510 -24.251 1.00 0.00 H new ATOM 2418 N LEU B 66 -9.821 -13.218 -18.763 1.00 0.00 N ATOM 2419 CA LEU B 66 -10.932 -14.173 -18.646 1.00 0.00 C ATOM 2420 C LEU B 66 -10.502 -15.403 -17.848 1.00 0.00 C ATOM 2421 O LEU B 66 -11.212 -16.407 -17.797 1.00 0.00 O ATOM 2422 CB LEU B 66 -11.489 -14.584 -20.021 1.00 0.00 C ATOM 2423 CG LEU B 66 -12.615 -13.700 -20.570 1.00 0.00 C ATOM 2424 CD1 LEU B 66 -12.192 -12.241 -20.641 1.00 0.00 C ATOM 2425 CD2 LEU B 66 -13.048 -14.194 -21.941 1.00 0.00 C ATOM 0 H LEU B 66 -9.943 -12.377 -18.199 1.00 0.00 H new ATOM 0 HA LEU B 66 -11.737 -13.670 -18.109 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -10.669 -14.586 -20.739 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -11.856 -15.608 -19.953 1.00 0.00 H new ATOM 0 HG LEU B 66 -13.460 -13.767 -19.885 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -13.014 -11.643 -21.034 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -11.932 -11.889 -19.643 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -11.327 -12.145 -21.297 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -13.848 -13.559 -22.321 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -12.200 -14.158 -22.625 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -13.407 -15.220 -21.861 1.00 0.00 H new ATOM 2437 N GLN B 67 -9.347 -15.300 -17.209 1.00 0.00 N ATOM 2438 CA GLN B 67 -8.840 -16.349 -16.341 1.00 0.00 C ATOM 2439 C GLN B 67 -8.655 -15.770 -14.940 1.00 0.00 C ATOM 2440 O GLN B 67 -8.664 -14.550 -14.773 1.00 0.00 O ATOM 2441 CB GLN B 67 -7.514 -16.890 -16.897 1.00 0.00 C ATOM 2442 CG GLN B 67 -7.402 -18.410 -16.884 1.00 0.00 C ATOM 2443 CD GLN B 67 -7.183 -18.980 -15.495 1.00 0.00 C ATOM 2444 OE1 GLN B 67 -8.134 -19.263 -14.768 1.00 0.00 O ATOM 2445 NE2 GLN B 67 -5.928 -19.171 -15.122 1.00 0.00 N ATOM 0 H GLN B 67 -8.735 -14.487 -17.278 1.00 0.00 H new ATOM 0 HA GLN B 67 -9.544 -17.179 -16.294 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -7.392 -16.537 -17.921 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -6.692 -16.472 -16.316 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -8.311 -18.839 -17.307 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -6.577 -18.713 -17.529 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -5.165 -18.924 -15.753 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -5.723 -19.565 -14.204 1.00 0.00 H new ATOM 2454 N THR B 68 -8.510 -16.626 -13.940 1.00 0.00 N ATOM 2455 CA THR B 68 -8.341 -16.169 -12.569 1.00 0.00 C ATOM 2456 C THR B 68 -6.968 -15.526 -12.378 1.00 0.00 C ATOM 2457 O THR B 68 -5.951 -16.216 -12.302 1.00 0.00 O ATOM 2458 CB THR B 68 -8.506 -17.330 -11.577 1.00 0.00 C ATOM 2459 OG1 THR B 68 -9.694 -18.070 -11.888 1.00 0.00 O ATOM 2460 CG2 THR B 68 -8.590 -16.817 -10.147 1.00 0.00 C ATOM 0 H THR B 68 -8.506 -17.640 -14.052 1.00 0.00 H new ATOM 0 HA THR B 68 -9.114 -15.426 -12.373 1.00 0.00 H new ATOM 0 HB THR B 68 -7.634 -17.978 -11.664 1.00 0.00 H new ATOM 0 HG1 THR B 68 -9.794 -18.810 -11.254 1.00 0.00 H new ATOM 0 HG21 THR B 68 -8.707 -17.659 -9.465 1.00 0.00 H new ATOM 0 HG22 THR B 68 -7.677 -16.274 -9.901 1.00 0.00 H new ATOM 0 HG23 THR B 68 -9.446 -16.150 -10.050 1.00 0.00 H new ATOM 2468 N GLY B 69 -6.950 -14.203 -12.294 1.00 0.00 N ATOM 2469 CA GLY B 69 -5.702 -13.473 -12.206 1.00 0.00 C ATOM 2470 C GLY B 69 -5.396 -13.014 -10.798 1.00 0.00 C ATOM 2471 O GLY B 69 -5.189 -11.824 -10.558 1.00 0.00 O ATOM 0 H GLY B 69 -7.786 -13.618 -12.285 1.00 0.00 H new ATOM 0 HA2 GLY B 69 -4.889 -14.106 -12.563 1.00 0.00 H new ATOM 0 HA3 GLY B 69 -5.745 -12.606 -12.866 1.00 0.00 H new ATOM 2543 N HIS B 74 3.144 -15.939 -7.646 1.00 0.00 N ATOM 2544 CA HIS B 74 3.425 -14.785 -6.807 1.00 0.00 C ATOM 2545 C HIS B 74 4.921 -14.514 -6.772 1.00 0.00 C ATOM 2546 O HIS B 74 5.726 -15.444 -6.731 1.00 0.00 O ATOM 2547 CB HIS B 74 2.891 -14.992 -5.378 1.00 0.00 C ATOM 2548 CG HIS B 74 3.590 -16.068 -4.587 1.00 0.00 C ATOM 2549 ND1 HIS B 74 3.122 -17.359 -4.496 1.00 0.00 N ATOM 2550 CD2 HIS B 74 4.726 -16.031 -3.844 1.00 0.00 C ATOM 2551 CE1 HIS B 74 3.937 -18.068 -3.736 1.00 0.00 C ATOM 2552 NE2 HIS B 74 4.917 -17.286 -3.327 1.00 0.00 N ATOM 0 HA HIS B 74 2.915 -13.923 -7.237 1.00 0.00 H new ATOM 0 HB2 HIS B 74 2.974 -14.051 -4.835 1.00 0.00 H new ATOM 0 HB3 HIS B 74 1.830 -15.235 -5.434 1.00 0.00 H new ATOM 0 HD2 HIS B 74 5.362 -15.172 -3.689 1.00 0.00 H new ATOM 0 HE1 HIS B 74 3.820 -19.113 -3.491 1.00 0.00 H new ATOM 0 HE2 HIS B 74 5.690 -17.569 -2.725 1.00 0.00 H new ATOM 2561 N ALA B 75 5.286 -13.246 -6.821 1.00 0.00 N ATOM 2562 CA ALA B 75 6.672 -12.851 -6.644 1.00 0.00 C ATOM 2563 C ALA B 75 6.857 -12.256 -5.252 1.00 0.00 C ATOM 2564 O ALA B 75 6.258 -11.231 -4.924 1.00 0.00 O ATOM 2565 CB ALA B 75 7.098 -11.860 -7.722 1.00 0.00 C ATOM 0 H ALA B 75 4.642 -12.472 -6.982 1.00 0.00 H new ATOM 0 HA ALA B 75 7.307 -13.732 -6.740 1.00 0.00 H new ATOM 0 HB1 ALA B 75 8.140 -11.580 -7.567 1.00 0.00 H new ATOM 0 HB2 ALA B 75 6.988 -12.321 -8.704 1.00 0.00 H new ATOM 0 HB3 ALA B 75 6.471 -10.970 -7.667 1.00 0.00 H new ATOM 2571 N ASP B 76 7.681 -12.908 -4.439 1.00 0.00 N ATOM 2572 CA ASP B 76 7.888 -12.510 -3.049 1.00 0.00 C ATOM 2573 C ASP B 76 8.522 -11.124 -2.962 1.00 0.00 C ATOM 2574 O ASP B 76 8.427 -10.447 -1.939 1.00 0.00 O ATOM 2575 CB ASP B 76 8.782 -13.526 -2.338 1.00 0.00 C ATOM 2576 CG ASP B 76 8.181 -14.917 -2.279 1.00 0.00 C ATOM 2577 OD1 ASP B 76 7.379 -15.195 -1.362 1.00 0.00 O ATOM 2578 OD2 ASP B 76 8.526 -15.753 -3.142 1.00 0.00 O ATOM 0 H ASP B 76 8.223 -13.724 -4.722 1.00 0.00 H new ATOM 0 HA ASP B 76 6.914 -12.477 -2.561 1.00 0.00 H new ATOM 0 HB2 ASP B 76 9.743 -13.575 -2.850 1.00 0.00 H new ATOM 0 HB3 ASP B 76 8.978 -13.179 -1.323 1.00 0.00 H new ATOM 2583 N ASP B 77 9.160 -10.710 -4.049 1.00 0.00 N ATOM 2584 CA ASP B 77 9.828 -9.416 -4.109 1.00 0.00 C ATOM 2585 C ASP B 77 8.823 -8.271 -4.198 1.00 0.00 C ATOM 2586 O ASP B 77 9.167 -7.111 -3.954 1.00 0.00 O ATOM 2587 CB ASP B 77 10.763 -9.352 -5.321 1.00 0.00 C ATOM 2588 CG ASP B 77 11.901 -10.351 -5.256 1.00 0.00 C ATOM 2589 OD1 ASP B 77 12.839 -10.147 -4.455 1.00 0.00 O ATOM 2590 OD2 ASP B 77 11.872 -11.337 -6.023 1.00 0.00 O ATOM 0 H ASP B 77 9.229 -11.256 -4.908 1.00 0.00 H new ATOM 0 HA ASP B 77 10.404 -9.307 -3.190 1.00 0.00 H new ATOM 0 HB2 ASP B 77 10.184 -9.530 -6.227 1.00 0.00 H new ATOM 0 HB3 ASP B 77 11.176 -8.346 -5.399 1.00 0.00 H new ATOM 2595 N CYS B 78 7.584 -8.592 -4.547 1.00 0.00 N ATOM 2596 CA CYS B 78 6.571 -7.572 -4.764 1.00 0.00 C ATOM 2597 C CYS B 78 5.879 -7.177 -3.463 1.00 0.00 C ATOM 2598 O CYS B 78 5.334 -8.024 -2.751 1.00 0.00 O ATOM 2599 CB CYS B 78 5.540 -8.064 -5.772 1.00 0.00 C ATOM 2600 SG CYS B 78 6.244 -8.509 -7.373 1.00 0.00 S ATOM 0 H CYS B 78 7.258 -9.549 -4.685 1.00 0.00 H new ATOM 0 HA CYS B 78 7.072 -6.687 -5.157 1.00 0.00 H new ATOM 0 HB2 CYS B 78 5.025 -8.931 -5.358 1.00 0.00 H new ATOM 0 HB3 CYS B 78 4.789 -7.288 -5.919 1.00 0.00 H new ATOM 0 HG CYS B 78 6.658 -7.436 -7.979 1.00 0.00 H new ATOM 2606 N PRO B 79 5.881 -5.869 -3.153 1.00 0.00 N ATOM 2607 CA PRO B 79 5.252 -5.329 -1.940 1.00 0.00 C ATOM 2608 C PRO B 79 3.763 -5.665 -1.840 1.00 0.00 C ATOM 2609 O PRO B 79 3.221 -5.771 -0.745 1.00 0.00 O ATOM 2610 CB PRO B 79 5.448 -3.816 -2.080 1.00 0.00 C ATOM 2611 CG PRO B 79 6.615 -3.664 -2.991 1.00 0.00 C ATOM 2612 CD PRO B 79 6.528 -4.811 -3.953 1.00 0.00 C ATOM 0 HA PRO B 79 5.694 -5.753 -1.038 1.00 0.00 H new ATOM 0 HB2 PRO B 79 4.559 -3.339 -2.493 1.00 0.00 H new ATOM 0 HB3 PRO B 79 5.639 -3.351 -1.113 1.00 0.00 H new ATOM 0 HG2 PRO B 79 6.581 -2.709 -3.516 1.00 0.00 H new ATOM 0 HG3 PRO B 79 7.552 -3.689 -2.435 1.00 0.00 H new ATOM 0 HD2 PRO B 79 5.940 -4.555 -4.834 1.00 0.00 H new ATOM 0 HD3 PRO B 79 7.513 -5.117 -4.306 1.00 0.00 H new ATOM 2620 N VAL B 80 3.113 -5.840 -2.985 1.00 0.00 N ATOM 2621 CA VAL B 80 1.694 -6.184 -3.017 1.00 0.00 C ATOM 2622 C VAL B 80 1.459 -7.559 -2.390 1.00 0.00 C ATOM 2623 O VAL B 80 0.495 -7.763 -1.651 1.00 0.00 O ATOM 2624 CB VAL B 80 1.148 -6.177 -4.464 1.00 0.00 C ATOM 2625 CG1 VAL B 80 -0.341 -6.503 -4.487 1.00 0.00 C ATOM 2626 CG2 VAL B 80 1.411 -4.835 -5.134 1.00 0.00 C ATOM 0 H VAL B 80 3.545 -5.750 -3.904 1.00 0.00 H new ATOM 0 HA VAL B 80 1.161 -5.429 -2.440 1.00 0.00 H new ATOM 0 HB VAL B 80 1.674 -6.950 -5.024 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.700 -6.492 -5.516 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -0.504 -7.491 -4.057 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.885 -5.760 -3.905 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.019 -4.853 -6.151 1.00 0.00 H new ATOM 0 HG22 VAL B 80 0.919 -4.044 -4.569 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.484 -4.647 -5.163 1.00 0.00 H new ATOM 2636 N VAL B 81 2.369 -8.487 -2.661 1.00 0.00 N ATOM 2637 CA VAL B 81 2.246 -9.854 -2.173 1.00 0.00 C ATOM 2638 C VAL B 81 2.415 -9.907 -0.654 1.00 0.00 C ATOM 2639 O VAL B 81 1.693 -10.627 0.038 1.00 0.00 O ATOM 2640 CB VAL B 81 3.283 -10.783 -2.844 1.00 0.00 C ATOM 2641 CG1 VAL B 81 3.162 -12.205 -2.326 1.00 0.00 C ATOM 2642 CG2 VAL B 81 3.122 -10.753 -4.356 1.00 0.00 C ATOM 0 H VAL B 81 3.205 -8.315 -3.220 1.00 0.00 H new ATOM 0 HA VAL B 81 1.246 -10.203 -2.432 1.00 0.00 H new ATOM 0 HB VAL B 81 4.278 -10.416 -2.590 1.00 0.00 H new ATOM 0 HG11 VAL B 81 3.904 -12.835 -2.816 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.331 -12.216 -1.249 1.00 0.00 H new ATOM 0 HG13 VAL B 81 2.164 -12.587 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL B 81 3.860 -11.412 -4.814 1.00 0.00 H new ATOM 0 HG22 VAL B 81 2.120 -11.089 -4.622 1.00 0.00 H new ATOM 0 HG23 VAL B 81 3.271 -9.736 -4.718 1.00 0.00 H new ATOM 2652 N ILE B 82 3.354 -9.127 -0.139 1.00 0.00 N ATOM 2653 CA ILE B 82 3.608 -9.093 1.293 1.00 0.00 C ATOM 2654 C ILE B 82 2.508 -8.289 2.001 1.00 0.00 C ATOM 2655 O ILE B 82 2.076 -8.643 3.098 1.00 0.00 O ATOM 2656 CB ILE B 82 5.029 -8.523 1.592 1.00 0.00 C ATOM 2657 CG1 ILE B 82 5.533 -8.955 2.982 1.00 0.00 C ATOM 2658 CG2 ILE B 82 5.067 -7.007 1.459 1.00 0.00 C ATOM 2659 CD1 ILE B 82 4.975 -8.150 4.142 1.00 0.00 C ATOM 0 H ILE B 82 3.951 -8.511 -0.690 1.00 0.00 H new ATOM 0 HA ILE B 82 3.585 -10.111 1.683 1.00 0.00 H new ATOM 0 HB ILE B 82 5.700 -8.943 0.843 1.00 0.00 H new ATOM 0 HG12 ILE B 82 5.282 -10.005 3.133 1.00 0.00 H new ATOM 0 HG13 ILE B 82 6.620 -8.881 2.997 1.00 0.00 H new ATOM 0 HG21 ILE B 82 6.073 -6.648 1.675 1.00 0.00 H new ATOM 0 HG22 ILE B 82 4.791 -6.724 0.443 1.00 0.00 H new ATOM 0 HG23 ILE B 82 4.364 -6.562 2.163 1.00 0.00 H new ATOM 0 HD11 ILE B 82 5.387 -8.527 5.078 1.00 0.00 H new ATOM 0 HD12 ILE B 82 5.248 -7.102 4.022 1.00 0.00 H new ATOM 0 HD13 ILE B 82 3.889 -8.242 4.160 1.00 0.00 H new ATOM 2671 N ALA B 83 2.021 -7.245 1.337 1.00 0.00 N ATOM 2672 CA ALA B 83 0.982 -6.386 1.901 1.00 0.00 C ATOM 2673 C ALA B 83 -0.311 -7.153 2.148 1.00 0.00 C ATOM 2674 O ALA B 83 -0.943 -6.994 3.192 1.00 0.00 O ATOM 2675 CB ALA B 83 0.720 -5.195 0.995 1.00 0.00 C ATOM 0 H ALA B 83 2.330 -6.972 0.404 1.00 0.00 H new ATOM 0 HA ALA B 83 1.346 -6.026 2.863 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -0.057 -4.568 1.433 1.00 0.00 H new ATOM 0 HB2 ALA B 83 1.635 -4.614 0.884 1.00 0.00 H new ATOM 0 HB3 ALA B 83 0.393 -5.547 0.017 1.00 0.00 H new ATOM 2681 N LYS B 84 -0.703 -7.992 1.194 1.00 0.00 N ATOM 2682 CA LYS B 84 -1.917 -8.785 1.345 1.00 0.00 C ATOM 2683 C LYS B 84 -1.772 -9.774 2.500 1.00 0.00 C ATOM 2684 O LYS B 84 -2.755 -10.148 3.139 1.00 0.00 O ATOM 2685 CB LYS B 84 -2.285 -9.513 0.045 1.00 0.00 C ATOM 2686 CG LYS B 84 -1.314 -10.606 -0.367 1.00 0.00 C ATOM 2687 CD LYS B 84 -1.795 -11.334 -1.614 1.00 0.00 C ATOM 2688 CE LYS B 84 -0.855 -12.464 -2.001 1.00 0.00 C ATOM 2689 NZ LYS B 84 -0.735 -13.483 -0.924 1.00 0.00 N ATOM 0 H LYS B 84 -0.203 -8.139 0.317 1.00 0.00 H new ATOM 0 HA LYS B 84 -2.733 -8.100 1.576 1.00 0.00 H new ATOM 0 HB2 LYS B 84 -3.277 -9.951 0.158 1.00 0.00 H new ATOM 0 HB3 LYS B 84 -2.349 -8.781 -0.760 1.00 0.00 H new ATOM 0 HG2 LYS B 84 -0.332 -10.171 -0.554 1.00 0.00 H new ATOM 0 HG3 LYS B 84 -1.197 -11.318 0.450 1.00 0.00 H new ATOM 0 HD2 LYS B 84 -2.794 -11.735 -1.439 1.00 0.00 H new ATOM 0 HD3 LYS B 84 -1.875 -10.628 -2.440 1.00 0.00 H new ATOM 0 HE2 LYS B 84 -1.217 -12.940 -2.912 1.00 0.00 H new ATOM 0 HE3 LYS B 84 0.130 -12.055 -2.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 -0.317 -14.352 -1.313 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 -0.126 -13.116 -0.165 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 -1.678 -13.695 -0.540 1.00 0.00 H new ATOM 2703 N GLN B 85 -0.541 -10.187 2.779 1.00 0.00 N ATOM 2704 CA GLN B 85 -0.273 -11.074 3.892 1.00 0.00 C ATOM 2705 C GLN B 85 -0.342 -10.310 5.213 1.00 0.00 C ATOM 2706 O GLN B 85 -0.710 -10.876 6.241 1.00 0.00 O ATOM 2707 CB GLN B 85 1.095 -11.729 3.727 1.00 0.00 C ATOM 2708 CG GLN B 85 1.157 -12.731 2.584 1.00 0.00 C ATOM 2709 CD GLN B 85 2.493 -13.443 2.493 1.00 0.00 C ATOM 2710 OE1 GLN B 85 3.558 -12.770 2.895 1.00 0.00 O flip ATOM 2711 NE2 GLN B 85 2.563 -14.592 2.062 1.00 0.00 N flip ATOM 0 H GLN B 85 0.285 -9.918 2.245 1.00 0.00 H new ATOM 0 HA GLN B 85 -1.034 -11.854 3.906 1.00 0.00 H new ATOM 0 HB2 GLN B 85 1.842 -10.953 3.560 1.00 0.00 H new ATOM 0 HB3 GLN B 85 1.361 -12.233 4.656 1.00 0.00 H new ATOM 0 HG2 GLN B 85 0.366 -13.470 2.712 1.00 0.00 H new ATOM 0 HG3 GLN B 85 0.962 -12.215 1.644 1.00 0.00 H new ATOM 0 HE21 GLN B 85 1.717 -15.077 1.762 1.00 0.00 H new ATOM 0 HE22 GLN B 85 3.467 -15.061 2.004 1.00 0.00 H new ATOM 2720 N ILE B 86 0.001 -9.022 5.171 1.00 0.00 N ATOM 2721 CA ILE B 86 -0.085 -8.161 6.347 1.00 0.00 C ATOM 2722 C ILE B 86 -1.524 -8.083 6.846 1.00 0.00 C ATOM 2723 O ILE B 86 -1.794 -8.306 8.026 1.00 0.00 O ATOM 2724 CB ILE B 86 0.424 -6.725 6.058 1.00 0.00 C ATOM 2725 CG1 ILE B 86 1.904 -6.743 5.665 1.00 0.00 C ATOM 2726 CG2 ILE B 86 0.211 -5.824 7.272 1.00 0.00 C ATOM 2727 CD1 ILE B 86 2.467 -5.372 5.340 1.00 0.00 C ATOM 0 H ILE B 86 0.342 -8.553 4.332 1.00 0.00 H new ATOM 0 HA ILE B 86 0.554 -8.606 7.110 1.00 0.00 H new ATOM 0 HB ILE B 86 -0.151 -6.324 5.223 1.00 0.00 H new ATOM 0 HG12 ILE B 86 2.482 -7.179 6.480 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.033 -7.393 4.800 1.00 0.00 H new ATOM 0 HG21 ILE B 86 0.575 -4.821 7.049 1.00 0.00 H new ATOM 0 HG22 ILE B 86 -0.852 -5.780 7.510 1.00 0.00 H new ATOM 0 HG23 ILE B 86 0.758 -6.227 8.125 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.519 -5.465 5.071 1.00 0.00 H new ATOM 0 HD12 ILE B 86 1.916 -4.941 4.504 1.00 0.00 H new ATOM 0 HD13 ILE B 86 2.371 -4.724 6.211 1.00 0.00 H new ATOM 2739 N LEU B 87 -2.443 -7.787 5.928 1.00 0.00 N ATOM 2740 CA LEU B 87 -3.851 -7.634 6.280 1.00 0.00 C ATOM 2741 C LEU B 87 -4.474 -8.971 6.682 1.00 0.00 C ATOM 2742 O LEU B 87 -5.537 -9.010 7.306 1.00 0.00 O ATOM 2743 CB LEU B 87 -4.633 -6.989 5.121 1.00 0.00 C ATOM 2744 CG LEU B 87 -4.698 -7.786 3.810 1.00 0.00 C ATOM 2745 CD1 LEU B 87 -5.827 -8.808 3.836 1.00 0.00 C ATOM 2746 CD2 LEU B 87 -4.870 -6.846 2.631 1.00 0.00 C ATOM 0 H LEU B 87 -2.237 -7.649 4.939 1.00 0.00 H new ATOM 0 HA LEU B 87 -3.909 -6.972 7.144 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -5.653 -6.804 5.459 1.00 0.00 H new ATOM 0 HB3 LEU B 87 -4.187 -6.018 4.908 1.00 0.00 H new ATOM 0 HG LEU B 87 -3.758 -8.327 3.701 1.00 0.00 H new ATOM 0 HD11 LEU B 87 -5.845 -9.355 2.893 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -5.667 -9.506 4.657 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -6.779 -8.295 3.976 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -4.915 -7.424 1.708 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -5.794 -6.279 2.749 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -4.025 -6.158 2.588 1.00 0.00 H new ATOM 2758 N SER B 88 -3.816 -10.058 6.308 1.00 0.00 N ATOM 2759 CA SER B 88 -4.277 -11.386 6.654 1.00 0.00 C ATOM 2760 C SER B 88 -3.772 -11.777 8.040 1.00 0.00 C ATOM 2761 O SER B 88 -4.565 -12.113 8.921 1.00 0.00 O ATOM 2762 CB SER B 88 -3.795 -12.387 5.607 1.00 0.00 C ATOM 2763 OG SER B 88 -4.276 -12.048 4.314 1.00 0.00 O ATOM 0 H SER B 88 -2.955 -10.041 5.761 1.00 0.00 H new ATOM 0 HA SER B 88 -5.367 -11.392 6.673 1.00 0.00 H new ATOM 0 HB2 SER B 88 -2.705 -12.412 5.598 1.00 0.00 H new ATOM 0 HB3 SER B 88 -4.134 -13.388 5.873 1.00 0.00 H new ATOM 0 HG SER B 88 -3.692 -11.369 3.916 1.00 0.00 H new ATOM 2769 N SER B 89 -2.449 -11.714 8.216 1.00 0.00 N ATOM 2770 CA SER B 89 -1.794 -12.034 9.487 1.00 0.00 C ATOM 2771 C SER B 89 -1.894 -13.530 9.809 1.00 0.00 C ATOM 2772 O SER B 89 -0.885 -14.238 9.824 1.00 0.00 O ATOM 2773 CB SER B 89 -2.381 -11.187 10.631 1.00 0.00 C ATOM 2774 OG SER B 89 -1.692 -11.412 11.851 1.00 0.00 O ATOM 0 H SER B 89 -1.800 -11.439 7.479 1.00 0.00 H new ATOM 0 HA SER B 89 -0.737 -11.789 9.386 1.00 0.00 H new ATOM 0 HB2 SER B 89 -2.324 -10.130 10.369 1.00 0.00 H new ATOM 0 HB3 SER B 89 -3.437 -11.427 10.758 1.00 0.00 H new ATOM 0 HG SER B 89 -2.087 -10.859 12.557 1.00 0.00 H new