USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 990 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 LYS NZ :NH3+ 154:sc= 2.52 (180deg=1.13) USER MOD Set 1.2: B 40 THR OG1 : rot 168:sc= 1.4 USER MOD Set 2.1: A 89 SER OG : rot 50:sc= 1.38 USER MOD Set 2.2: B 18 TYR OH : rot 0:sc= 0.521 USER MOD Set 3.1: A 59 CYS SG : rot 69:sc= -1.36 USER MOD Set 3.2: A 74 HIS : no HD1:sc= -0.333 X(o=-1.7,f=-1.4) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.393 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 MET CE :methyl 141:sc= -0.0195 (180deg=-0.916) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00936 USER MOD Single : A 32 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.13) USER MOD Single : A 35 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 131:sc= 0.386 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -4.32! K(o=-4.3!,f=-0.59) USER MOD Single : A 55 GLN : amide:sc= -0.0449 X(o=-0.045,f=0) USER MOD Single : A 56 CYS SG : rot -82:sc= -1.61! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.915 K(o=-0.91,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0565 USER MOD Single : A 78 CYS SG : rot -80:sc= -5.2! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : B 22 MET CE :methyl -157:sc= -0.0547 (180deg=-1.2) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 THR OG1 : rot 180:sc= 0.0772 USER MOD Single : B 32 LYS NZ :NH3+ 135:sc= 1.16 (180deg=1.04) USER MOD Single : B 35 THR OG1 : rot 79:sc= 1.25 USER MOD Single : B 39 LYS NZ :NH3+ -165:sc= -0.0688 (180deg=-0.335) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 53 HIS : no HD1:sc= 0.3 K(o=0.3,f=-5.6!) USER MOD Single : B 54 ASN : amide:sc= -2.25! C(o=-2.3!,f=-4.4!) USER MOD Single : B 55 GLN : amide:sc= -0.717 K(o=-0.72,f=0) USER MOD Single : B 56 CYS SG : rot 180:sc= 0 USER MOD Single : B 57 LYS NZ :NH3+ 164:sc= 1.09 (180deg=0.589) USER MOD Single : B 59 CYS SG : rot 180:sc= -0.186 USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 67 GLN : amide:sc= -0.243 K(o=-0.24,f=-2.7!) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 74 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-2.1) USER MOD Single : B 78 CYS SG : rot -95:sc= -0.168 USER MOD Single : B 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 85 GLN : amide:sc= -0.0164 X(o=-0.016,f=-0.054) USER MOD Single : B 88 SER OG : rot 180:sc= 0 USER MOD Single : B 89 SER OG : rot -72:sc= 0.181 USER MOD ----------------------------------------------------------------- ATOM 239 N LEU A 17 5.976 -10.649 9.240 1.00 0.00 N ATOM 240 CA LEU A 17 6.124 -9.572 10.200 1.00 0.00 C ATOM 241 C LEU A 17 4.755 -9.032 10.571 1.00 0.00 C ATOM 242 O LEU A 17 3.920 -8.792 9.701 1.00 0.00 O ATOM 243 CB LEU A 17 6.992 -8.446 9.623 1.00 0.00 C ATOM 244 CG LEU A 17 8.454 -8.816 9.347 1.00 0.00 C ATOM 245 CD1 LEU A 17 9.182 -7.653 8.687 1.00 0.00 C ATOM 246 CD2 LEU A 17 9.157 -9.223 10.635 1.00 0.00 C ATOM 0 HA LEU A 17 6.616 -9.962 11.091 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.540 -8.103 8.692 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.973 -7.605 10.316 1.00 0.00 H new ATOM 0 HG LEU A 17 8.470 -9.666 8.665 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.218 -7.933 8.498 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.695 -7.407 7.743 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.155 -6.785 9.346 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.193 -9.482 10.418 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.131 -8.394 11.342 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.651 -10.085 11.069 1.00 0.00 H new ATOM 258 N TYR A 18 4.525 -8.855 11.857 1.00 0.00 N ATOM 259 CA TYR A 18 3.236 -8.390 12.339 1.00 0.00 C ATOM 260 C TYR A 18 3.417 -7.133 13.178 1.00 0.00 C ATOM 261 O TYR A 18 4.532 -6.809 13.581 1.00 0.00 O ATOM 262 CB TYR A 18 2.558 -9.488 13.160 1.00 0.00 C ATOM 263 CG TYR A 18 1.070 -9.594 12.920 1.00 0.00 C ATOM 264 CD1 TYR A 18 0.582 -9.977 11.680 1.00 0.00 C ATOM 265 CD2 TYR A 18 0.154 -9.319 13.929 1.00 0.00 C ATOM 266 CE1 TYR A 18 -0.774 -10.083 11.447 1.00 0.00 C ATOM 267 CE2 TYR A 18 -1.205 -9.423 13.704 1.00 0.00 C ATOM 268 CZ TYR A 18 -1.663 -9.805 12.462 1.00 0.00 C ATOM 269 OH TYR A 18 -3.016 -9.918 12.233 1.00 0.00 O ATOM 0 H TYR A 18 5.214 -9.026 12.589 1.00 0.00 H new ATOM 0 HA TYR A 18 2.601 -8.151 11.486 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.024 -10.445 12.926 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.734 -9.299 14.219 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.276 -10.196 10.882 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.510 -9.020 14.904 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.136 -10.382 10.475 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.905 -9.206 14.497 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.506 -9.688 13.050 1.00 0.00 H new ATOM 279 N PHE A 19 2.313 -6.440 13.442 1.00 0.00 N ATOM 280 CA PHE A 19 2.342 -5.170 14.173 1.00 0.00 C ATOM 281 C PHE A 19 2.835 -5.351 15.607 1.00 0.00 C ATOM 282 O PHE A 19 3.242 -4.390 16.259 1.00 0.00 O ATOM 283 CB PHE A 19 0.953 -4.529 14.180 1.00 0.00 C ATOM 284 CG PHE A 19 0.469 -4.141 12.813 1.00 0.00 C ATOM 285 CD1 PHE A 19 -0.252 -5.034 12.040 1.00 0.00 C ATOM 286 CD2 PHE A 19 0.739 -2.882 12.303 1.00 0.00 C ATOM 287 CE1 PHE A 19 -0.697 -4.677 10.783 1.00 0.00 C ATOM 288 CE2 PHE A 19 0.296 -2.520 11.048 1.00 0.00 C ATOM 289 CZ PHE A 19 -0.421 -3.419 10.286 1.00 0.00 C ATOM 0 H PHE A 19 1.379 -6.737 13.159 1.00 0.00 H new ATOM 0 HA PHE A 19 3.043 -4.514 13.657 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.242 -5.225 14.625 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.973 -3.644 14.815 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.469 -6.020 12.424 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.303 -2.176 12.895 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.261 -5.381 10.189 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.510 -1.534 10.662 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.766 -3.139 9.302 1.00 0.00 H new ATOM 299 N GLN A 20 2.782 -6.577 16.099 1.00 0.00 N ATOM 300 CA GLN A 20 3.297 -6.876 17.422 1.00 0.00 C ATOM 301 C GLN A 20 4.805 -7.091 17.341 1.00 0.00 C ATOM 302 O GLN A 20 5.272 -8.179 17.002 1.00 0.00 O ATOM 303 CB GLN A 20 2.593 -8.099 18.010 1.00 0.00 C ATOM 304 CG GLN A 20 1.081 -7.951 18.039 1.00 0.00 C ATOM 305 CD GLN A 20 0.402 -9.039 18.845 1.00 0.00 C ATOM 306 OE1 GLN A 20 0.048 -10.096 18.319 1.00 0.00 O ATOM 307 NE2 GLN A 20 0.205 -8.780 20.126 1.00 0.00 N ATOM 0 H GLN A 20 2.389 -7.378 15.604 1.00 0.00 H new ATOM 0 HA GLN A 20 3.099 -6.035 18.086 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.856 -8.980 17.425 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.956 -8.269 19.023 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.823 -6.979 18.459 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.699 -7.969 17.018 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.514 -7.892 20.520 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.256 -9.469 20.720 1.00 0.00 H new ATOM 316 N GLY A 21 5.551 -6.031 17.613 1.00 0.00 N ATOM 317 CA GLY A 21 6.987 -6.058 17.448 1.00 0.00 C ATOM 318 C GLY A 21 7.442 -5.000 16.466 1.00 0.00 C ATOM 319 O GLY A 21 7.624 -3.841 16.845 1.00 0.00 O ATOM 0 H GLY A 21 5.180 -5.142 17.949 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.470 -5.896 18.412 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.298 -7.042 17.097 1.00 0.00 H new ATOM 323 N MET A 22 7.614 -5.407 15.205 1.00 0.00 N ATOM 324 CA MET A 22 7.986 -4.511 14.099 1.00 0.00 C ATOM 325 C MET A 22 9.395 -3.965 14.201 1.00 0.00 C ATOM 326 O MET A 22 10.051 -3.780 13.170 1.00 0.00 O ATOM 327 CB MET A 22 6.986 -3.364 13.950 1.00 0.00 C ATOM 328 CG MET A 22 5.718 -3.750 13.210 1.00 0.00 C ATOM 329 SD MET A 22 6.047 -4.267 11.514 1.00 0.00 S ATOM 330 CE MET A 22 4.380 -4.499 10.897 1.00 0.00 C ATOM 0 H MET A 22 7.498 -6.379 14.917 1.00 0.00 H new ATOM 0 HA MET A 22 7.957 -5.133 13.204 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.720 -2.995 14.941 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.467 -2.541 13.422 1.00 0.00 H new ATOM 0 HG2 MET A 22 5.220 -4.559 13.744 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.032 -2.903 13.203 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.320 -4.142 9.869 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.124 -5.558 10.929 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.681 -3.938 11.518 1.00 0.00 H new ATOM 340 N THR A 23 9.849 -3.679 15.412 1.00 0.00 N ATOM 341 CA THR A 23 11.226 -3.283 15.634 1.00 0.00 C ATOM 342 C THR A 23 11.485 -1.845 15.160 1.00 0.00 C ATOM 343 O THR A 23 11.701 -0.945 15.976 1.00 0.00 O ATOM 344 CB THR A 23 12.164 -4.267 14.907 1.00 0.00 C ATOM 345 OG1 THR A 23 11.939 -5.604 15.375 1.00 0.00 O ATOM 346 CG2 THR A 23 13.610 -3.892 15.104 1.00 0.00 C ATOM 0 H THR A 23 9.279 -3.715 16.257 1.00 0.00 H new ATOM 0 HA THR A 23 11.424 -3.311 16.705 1.00 0.00 H new ATOM 0 HB THR A 23 11.941 -4.215 13.841 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.539 -6.220 14.905 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.246 -4.605 14.579 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.784 -2.891 14.708 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.848 -3.908 16.168 1.00 0.00 H new ATOM 354 N ASP A 24 11.427 -1.636 13.849 1.00 0.00 N ATOM 355 CA ASP A 24 11.720 -0.335 13.249 1.00 0.00 C ATOM 356 C ASP A 24 11.327 -0.325 11.776 1.00 0.00 C ATOM 357 O ASP A 24 10.905 0.700 11.236 1.00 0.00 O ATOM 358 CB ASP A 24 13.213 -0.003 13.380 1.00 0.00 C ATOM 359 CG ASP A 24 13.584 1.305 12.704 1.00 0.00 C ATOM 360 OD1 ASP A 24 13.402 2.374 13.328 1.00 0.00 O ATOM 361 OD2 ASP A 24 14.071 1.269 11.551 1.00 0.00 O ATOM 0 H ASP A 24 11.177 -2.358 13.174 1.00 0.00 H new ATOM 0 HA ASP A 24 11.139 0.418 13.781 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.478 0.051 14.436 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.800 -0.812 12.945 1.00 0.00 H new ATOM 366 N THR A 25 11.437 -1.490 11.145 1.00 0.00 N ATOM 367 CA THR A 25 11.222 -1.638 9.709 1.00 0.00 C ATOM 368 C THR A 25 9.763 -1.391 9.307 1.00 0.00 C ATOM 369 O THR A 25 9.438 -1.342 8.123 1.00 0.00 O ATOM 370 CB THR A 25 11.645 -3.052 9.270 1.00 0.00 C ATOM 371 OG1 THR A 25 12.814 -3.439 10.008 1.00 0.00 O ATOM 372 CG2 THR A 25 11.952 -3.104 7.780 1.00 0.00 C ATOM 0 H THR A 25 11.679 -2.361 11.617 1.00 0.00 H new ATOM 0 HA THR A 25 11.830 -0.885 9.208 1.00 0.00 H new ATOM 0 HB THR A 25 10.820 -3.736 9.470 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.089 -4.339 9.736 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.247 -4.116 7.504 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.064 -2.819 7.215 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.765 -2.414 7.552 1.00 0.00 H new ATOM 380 N ALA A 26 8.896 -1.210 10.299 1.00 0.00 N ATOM 381 CA ALA A 26 7.481 -0.948 10.053 1.00 0.00 C ATOM 382 C ALA A 26 7.290 0.266 9.149 1.00 0.00 C ATOM 383 O ALA A 26 6.397 0.289 8.308 1.00 0.00 O ATOM 384 CB ALA A 26 6.751 -0.737 11.369 1.00 0.00 C ATOM 0 H ALA A 26 9.150 -1.240 11.286 1.00 0.00 H new ATOM 0 HA ALA A 26 7.063 -1.817 9.545 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.697 -0.542 11.173 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.847 -1.631 11.985 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.186 0.114 11.894 1.00 0.00 H new ATOM 390 N ALA A 27 8.143 1.265 9.318 1.00 0.00 N ATOM 391 CA ALA A 27 8.052 2.481 8.522 1.00 0.00 C ATOM 392 C ALA A 27 8.542 2.235 7.102 1.00 0.00 C ATOM 393 O ALA A 27 8.092 2.879 6.155 1.00 0.00 O ATOM 394 CB ALA A 27 8.844 3.605 9.176 1.00 0.00 C ATOM 0 H ALA A 27 8.904 1.259 9.997 1.00 0.00 H new ATOM 0 HA ALA A 27 7.005 2.780 8.472 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.766 4.507 8.568 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.443 3.802 10.170 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.891 3.313 9.258 1.00 0.00 H new ATOM 400 N GLU A 28 9.450 1.282 6.962 1.00 0.00 N ATOM 401 CA GLU A 28 10.049 0.974 5.674 1.00 0.00 C ATOM 402 C GLU A 28 9.014 0.320 4.762 1.00 0.00 C ATOM 403 O GLU A 28 8.720 0.830 3.680 1.00 0.00 O ATOM 404 CB GLU A 28 11.252 0.043 5.877 1.00 0.00 C ATOM 405 CG GLU A 28 12.366 0.208 4.849 1.00 0.00 C ATOM 406 CD GLU A 28 11.940 -0.123 3.434 1.00 0.00 C ATOM 407 OE1 GLU A 28 12.026 -1.305 3.041 1.00 0.00 O ATOM 408 OE2 GLU A 28 11.540 0.805 2.703 1.00 0.00 O ATOM 0 H GLU A 28 9.790 0.705 7.731 1.00 0.00 H new ATOM 0 HA GLU A 28 10.392 1.895 5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.665 0.216 6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.903 -0.989 5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.728 1.236 4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.203 -0.433 5.127 1.00 0.00 H new ATOM 415 N ASP A 29 8.431 -0.780 5.233 1.00 0.00 N ATOM 416 CA ASP A 29 7.525 -1.590 4.415 1.00 0.00 C ATOM 417 C ASP A 29 6.244 -0.838 4.054 1.00 0.00 C ATOM 418 O ASP A 29 5.600 -1.150 3.052 1.00 0.00 O ATOM 419 CB ASP A 29 7.190 -2.917 5.108 1.00 0.00 C ATOM 420 CG ASP A 29 8.309 -3.942 4.974 1.00 0.00 C ATOM 421 OD1 ASP A 29 9.269 -3.889 5.769 1.00 0.00 O ATOM 422 OD2 ASP A 29 8.237 -4.803 4.066 1.00 0.00 O ATOM 0 H ASP A 29 8.569 -1.134 6.180 1.00 0.00 H new ATOM 0 HA ASP A 29 8.051 -1.806 3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.995 -2.733 6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.274 -3.325 4.681 1.00 0.00 H new ATOM 427 N VAL A 30 5.876 0.159 4.852 1.00 0.00 N ATOM 428 CA VAL A 30 4.715 0.986 4.526 1.00 0.00 C ATOM 429 C VAL A 30 4.994 1.866 3.303 1.00 0.00 C ATOM 430 O VAL A 30 4.159 1.972 2.404 1.00 0.00 O ATOM 431 CB VAL A 30 4.269 1.856 5.720 1.00 0.00 C ATOM 432 CG1 VAL A 30 3.157 2.810 5.311 1.00 0.00 C ATOM 433 CG2 VAL A 30 3.803 0.978 6.868 1.00 0.00 C ATOM 0 H VAL A 30 6.355 0.413 5.716 1.00 0.00 H new ATOM 0 HA VAL A 30 3.898 0.305 4.290 1.00 0.00 H new ATOM 0 HB VAL A 30 5.126 2.445 6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.860 3.412 6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.513 3.464 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.300 2.238 4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.492 1.606 7.703 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.962 0.367 6.540 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.620 0.331 7.186 1.00 0.00 H new ATOM 443 N ARG A 31 6.170 2.486 3.255 1.00 0.00 N ATOM 444 CA ARG A 31 6.566 3.259 2.076 1.00 0.00 C ATOM 445 C ARG A 31 6.744 2.302 0.907 1.00 0.00 C ATOM 446 O ARG A 31 6.399 2.599 -0.233 1.00 0.00 O ATOM 447 CB ARG A 31 7.892 3.981 2.308 1.00 0.00 C ATOM 448 CG ARG A 31 8.015 4.680 3.648 1.00 0.00 C ATOM 449 CD ARG A 31 9.443 5.145 3.870 1.00 0.00 C ATOM 450 NE ARG A 31 10.404 4.090 3.541 1.00 0.00 N ATOM 451 CZ ARG A 31 11.665 4.313 3.172 1.00 0.00 C ATOM 452 NH1 ARG A 31 12.154 5.547 3.142 1.00 0.00 N ATOM 453 NH2 ARG A 31 12.438 3.296 2.824 1.00 0.00 N ATOM 0 H ARG A 31 6.859 2.471 4.007 1.00 0.00 H new ATOM 0 HA ARG A 31 5.793 4.000 1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.703 3.258 2.216 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.031 4.718 1.517 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.338 5.533 3.684 1.00 0.00 H new ATOM 0 HG3 ARG A 31 7.717 4.002 4.448 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.641 6.024 3.257 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.572 5.446 4.910 1.00 0.00 H new ATOM 0 HE ARG A 31 10.088 3.122 3.598 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.563 6.336 3.403 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.121 5.706 2.858 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.068 2.346 2.839 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.404 3.463 2.541 1.00 0.00 H new ATOM 467 N LYS A 32 7.296 1.153 1.243 1.00 0.00 N ATOM 468 CA LYS A 32 7.571 0.069 0.315 1.00 0.00 C ATOM 469 C LYS A 32 6.326 -0.321 -0.485 1.00 0.00 C ATOM 470 O LYS A 32 6.370 -0.403 -1.711 1.00 0.00 O ATOM 471 CB LYS A 32 8.085 -1.088 1.162 1.00 0.00 C ATOM 472 CG LYS A 32 8.514 -2.345 0.443 1.00 0.00 C ATOM 473 CD LYS A 32 9.185 -3.248 1.459 1.00 0.00 C ATOM 474 CE LYS A 32 9.375 -4.670 0.982 1.00 0.00 C ATOM 475 NZ LYS A 32 9.925 -5.511 2.077 1.00 0.00 N ATOM 0 H LYS A 32 7.575 0.939 2.200 1.00 0.00 H new ATOM 0 HA LYS A 32 8.309 0.367 -0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.934 -0.727 1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.303 -1.357 1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.653 -2.844 -0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.200 -2.106 -0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.157 -2.829 1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.589 -3.258 2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.422 -5.078 0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.050 -4.687 0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.115 -6.468 1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.810 -5.091 2.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.236 -5.563 2.854 1.00 0.00 H new ATOM 489 N ILE A 33 5.209 -0.538 0.206 1.00 0.00 N ATOM 490 CA ILE A 33 3.961 -0.885 -0.469 1.00 0.00 C ATOM 491 C ILE A 33 3.366 0.322 -1.194 1.00 0.00 C ATOM 492 O ILE A 33 2.774 0.183 -2.265 1.00 0.00 O ATOM 493 CB ILE A 33 2.910 -1.488 0.499 1.00 0.00 C ATOM 494 CG1 ILE A 33 2.621 -0.545 1.670 1.00 0.00 C ATOM 495 CG2 ILE A 33 3.378 -2.843 1.008 1.00 0.00 C ATOM 496 CD1 ILE A 33 1.593 -1.086 2.645 1.00 0.00 C ATOM 0 H ILE A 33 5.142 -0.481 1.222 1.00 0.00 H new ATOM 0 HA ILE A 33 4.216 -1.650 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 33 1.981 -1.621 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.550 -0.349 2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.271 0.410 1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.631 -3.255 1.686 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.516 -3.521 0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.324 -2.726 1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.439 -0.365 3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.651 -1.256 2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.950 -2.027 3.065 1.00 0.00 H new ATOM 508 N ALA A 34 3.557 1.505 -0.623 1.00 0.00 N ATOM 509 CA ALA A 34 3.053 2.737 -1.219 1.00 0.00 C ATOM 510 C ALA A 34 3.778 3.056 -2.524 1.00 0.00 C ATOM 511 O ALA A 34 3.195 3.609 -3.452 1.00 0.00 O ATOM 512 CB ALA A 34 3.186 3.896 -0.240 1.00 0.00 C ATOM 0 H ALA A 34 4.059 1.638 0.255 1.00 0.00 H new ATOM 0 HA ALA A 34 1.997 2.591 -1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.805 4.807 -0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.613 3.679 0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.235 4.033 0.021 1.00 0.00 H new ATOM 518 N THR A 35 5.050 2.684 -2.591 1.00 0.00 N ATOM 519 CA THR A 35 5.869 2.939 -3.769 1.00 0.00 C ATOM 520 C THR A 35 5.250 2.318 -5.024 1.00 0.00 C ATOM 521 O THR A 35 5.392 2.852 -6.125 1.00 0.00 O ATOM 522 CB THR A 35 7.306 2.410 -3.568 1.00 0.00 C ATOM 523 OG1 THR A 35 7.889 3.031 -2.413 1.00 0.00 O ATOM 524 CG2 THR A 35 8.181 2.692 -4.783 1.00 0.00 C ATOM 0 H THR A 35 5.540 2.201 -1.838 1.00 0.00 H new ATOM 0 HA THR A 35 5.911 4.019 -3.908 1.00 0.00 H new ATOM 0 HB THR A 35 7.250 1.330 -3.430 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.542 2.604 -1.602 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.185 2.306 -4.606 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.754 2.205 -5.660 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.231 3.767 -4.954 1.00 0.00 H new ATOM 532 N ALA A 36 4.536 1.210 -4.852 1.00 0.00 N ATOM 533 CA ALA A 36 3.888 0.539 -5.973 1.00 0.00 C ATOM 534 C ALA A 36 2.851 1.444 -6.633 1.00 0.00 C ATOM 535 O ALA A 36 2.806 1.559 -7.862 1.00 0.00 O ATOM 536 CB ALA A 36 3.238 -0.756 -5.514 1.00 0.00 C ATOM 0 H ALA A 36 4.392 0.759 -3.949 1.00 0.00 H new ATOM 0 HA ALA A 36 4.655 0.306 -6.712 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.759 -1.244 -6.363 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.998 -1.417 -5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.490 -0.537 -4.752 1.00 0.00 H new ATOM 542 N LEU A 37 2.036 2.104 -5.817 1.00 0.00 N ATOM 543 CA LEU A 37 0.979 2.957 -6.329 1.00 0.00 C ATOM 544 C LEU A 37 1.540 4.303 -6.788 1.00 0.00 C ATOM 545 O LEU A 37 0.939 4.987 -7.615 1.00 0.00 O ATOM 546 CB LEU A 37 -0.139 3.119 -5.284 1.00 0.00 C ATOM 547 CG LEU A 37 0.248 3.781 -3.963 1.00 0.00 C ATOM 548 CD1 LEU A 37 -0.057 5.268 -4.002 1.00 0.00 C ATOM 549 CD2 LEU A 37 -0.478 3.118 -2.804 1.00 0.00 C ATOM 0 H LEU A 37 2.090 2.062 -4.799 1.00 0.00 H new ATOM 0 HA LEU A 37 0.538 2.481 -7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.943 3.701 -5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.545 2.132 -5.064 1.00 0.00 H new ATOM 0 HG LEU A 37 1.321 3.655 -3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.225 5.722 -3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.508 5.734 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.123 5.416 -4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.191 3.602 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.554 3.214 -2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.210 2.062 -2.763 1.00 0.00 H new ATOM 561 N LEU A 38 2.693 4.683 -6.247 1.00 0.00 N ATOM 562 CA LEU A 38 3.395 5.873 -6.718 1.00 0.00 C ATOM 563 C LEU A 38 4.045 5.616 -8.078 1.00 0.00 C ATOM 564 O LEU A 38 4.248 6.539 -8.865 1.00 0.00 O ATOM 565 CB LEU A 38 4.468 6.314 -5.715 1.00 0.00 C ATOM 566 CG LEU A 38 4.033 7.372 -4.694 1.00 0.00 C ATOM 567 CD1 LEU A 38 2.990 6.816 -3.740 1.00 0.00 C ATOM 568 CD2 LEU A 38 5.239 7.892 -3.924 1.00 0.00 C ATOM 0 H LEU A 38 3.159 4.188 -5.487 1.00 0.00 H new ATOM 0 HA LEU A 38 2.658 6.670 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.815 5.434 -5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.321 6.703 -6.272 1.00 0.00 H new ATOM 0 HG LEU A 38 3.581 8.202 -5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.700 7.588 -3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.114 6.496 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.406 5.964 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.914 8.642 -3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.718 7.066 -3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.949 8.340 -4.619 1.00 0.00 H new ATOM 580 N LYS A 39 4.370 4.357 -8.347 1.00 0.00 N ATOM 581 CA LYS A 39 5.022 3.986 -9.594 1.00 0.00 C ATOM 582 C LYS A 39 4.006 3.694 -10.689 1.00 0.00 C ATOM 583 O LYS A 39 4.200 4.086 -11.839 1.00 0.00 O ATOM 584 CB LYS A 39 5.929 2.773 -9.383 1.00 0.00 C ATOM 585 CG LYS A 39 7.352 3.138 -8.996 1.00 0.00 C ATOM 586 CD LYS A 39 8.053 3.870 -10.128 1.00 0.00 C ATOM 587 CE LYS A 39 9.475 4.252 -9.757 1.00 0.00 C ATOM 588 NZ LYS A 39 10.169 4.935 -10.879 1.00 0.00 N ATOM 0 H LYS A 39 4.192 3.576 -7.716 1.00 0.00 H new ATOM 0 HA LYS A 39 5.628 4.833 -9.914 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.501 2.140 -8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.951 2.182 -10.299 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.341 3.765 -8.104 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.907 2.235 -8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.066 3.238 -11.016 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.490 4.768 -10.384 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.461 4.906 -8.885 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.031 3.358 -9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.137 5.181 -10.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.204 4.301 -11.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.652 5.802 -11.131 1.00 0.00 H new ATOM 602 N THR A 40 2.930 3.006 -10.335 1.00 0.00 N ATOM 603 CA THR A 40 1.915 2.646 -11.308 1.00 0.00 C ATOM 604 C THR A 40 0.517 2.934 -10.774 1.00 0.00 C ATOM 605 O THR A 40 -0.002 4.033 -10.956 1.00 0.00 O ATOM 606 CB THR A 40 2.023 1.162 -11.718 1.00 0.00 C ATOM 607 OG1 THR A 40 2.158 0.338 -10.550 1.00 0.00 O ATOM 608 CG2 THR A 40 3.208 0.933 -12.647 1.00 0.00 C ATOM 0 H THR A 40 2.740 2.688 -9.385 1.00 0.00 H new ATOM 0 HA THR A 40 2.088 3.260 -12.192 1.00 0.00 H new ATOM 0 HB THR A 40 1.111 0.892 -12.251 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.519 -0.403 -10.597 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.259 -0.121 -12.919 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.086 1.535 -13.548 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.129 1.222 -12.140 1.00 0.00 H new ATOM 616 N ALA A 41 -0.062 1.939 -10.093 1.00 0.00 N ATOM 617 CA ALA A 41 -1.426 2.004 -9.549 1.00 0.00 C ATOM 618 C ALA A 41 -2.482 2.124 -10.646 1.00 0.00 C ATOM 619 O ALA A 41 -3.287 1.219 -10.845 1.00 0.00 O ATOM 620 CB ALA A 41 -1.572 3.152 -8.559 1.00 0.00 C ATOM 0 H ALA A 41 0.408 1.054 -9.901 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.594 1.063 -9.026 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.592 3.173 -8.175 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.875 3.011 -7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.353 4.095 -9.060 1.00 0.00 H new ATOM 626 N ILE A 42 -2.447 3.241 -11.349 1.00 0.00 N ATOM 627 CA ILE A 42 -3.450 3.600 -12.348 1.00 0.00 C ATOM 628 C ILE A 42 -3.612 2.500 -13.400 1.00 0.00 C ATOM 629 O ILE A 42 -2.647 2.112 -14.063 1.00 0.00 O ATOM 630 CB ILE A 42 -3.046 4.923 -13.030 1.00 0.00 C ATOM 631 CG1 ILE A 42 -2.790 5.995 -11.966 1.00 0.00 C ATOM 632 CG2 ILE A 42 -4.118 5.387 -14.003 1.00 0.00 C ATOM 633 CD1 ILE A 42 -2.211 7.281 -12.517 1.00 0.00 C ATOM 0 H ILE A 42 -1.711 3.939 -11.244 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.408 3.721 -11.842 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.131 4.755 -13.598 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.728 6.219 -11.457 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.108 5.593 -11.216 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.806 6.322 -14.469 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.264 4.629 -14.772 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.054 5.544 -13.466 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.058 7.989 -11.703 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.257 7.073 -13.000 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.901 7.708 -13.245 1.00 0.00 H new ATOM 645 N GLU A 43 -4.833 1.996 -13.535 1.00 0.00 N ATOM 646 CA GLU A 43 -5.124 0.914 -14.470 1.00 0.00 C ATOM 647 C GLU A 43 -5.840 1.439 -15.709 1.00 0.00 C ATOM 648 O GLU A 43 -6.349 2.563 -15.727 1.00 0.00 O ATOM 649 CB GLU A 43 -5.977 -0.178 -13.801 1.00 0.00 C ATOM 650 CG GLU A 43 -7.320 0.304 -13.265 1.00 0.00 C ATOM 651 CD GLU A 43 -7.225 0.879 -11.866 1.00 0.00 C ATOM 652 OE1 GLU A 43 -6.847 2.056 -11.724 1.00 0.00 O ATOM 653 OE2 GLU A 43 -7.518 0.143 -10.898 1.00 0.00 O ATOM 0 H GLU A 43 -5.642 2.321 -13.006 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.171 0.480 -14.773 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.154 -0.975 -14.523 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.408 -0.613 -12.979 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.723 1.062 -13.937 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.024 -0.528 -13.263 1.00 0.00 H new ATOM 660 N ILE A 44 -5.875 0.620 -16.744 1.00 0.00 N ATOM 661 CA ILE A 44 -6.541 0.985 -17.978 1.00 0.00 C ATOM 662 C ILE A 44 -7.569 -0.084 -18.343 1.00 0.00 C ATOM 663 O ILE A 44 -7.235 -1.243 -18.584 1.00 0.00 O ATOM 664 CB ILE A 44 -5.515 1.231 -19.127 1.00 0.00 C ATOM 665 CG1 ILE A 44 -6.204 1.646 -20.442 1.00 0.00 C ATOM 666 CG2 ILE A 44 -4.623 0.016 -19.343 1.00 0.00 C ATOM 667 CD1 ILE A 44 -6.711 0.495 -21.292 1.00 0.00 C ATOM 0 H ILE A 44 -5.448 -0.306 -16.753 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.068 1.928 -17.831 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.885 2.064 -18.814 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.043 2.299 -20.204 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.501 2.233 -21.034 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.920 0.220 -20.150 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.072 -0.198 -18.427 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.238 -0.845 -19.606 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.179 0.888 -22.195 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.876 -0.149 -21.567 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.442 -0.081 -20.725 1.00 0.00 H new ATOM 679 N VAL A 45 -8.830 0.311 -18.353 1.00 0.00 N ATOM 680 CA VAL A 45 -9.905 -0.617 -18.643 1.00 0.00 C ATOM 681 C VAL A 45 -10.103 -0.750 -20.146 1.00 0.00 C ATOM 682 O VAL A 45 -10.292 0.242 -20.858 1.00 0.00 O ATOM 683 CB VAL A 45 -11.236 -0.207 -17.963 1.00 0.00 C ATOM 684 CG1 VAL A 45 -11.123 -0.343 -16.450 1.00 0.00 C ATOM 685 CG2 VAL A 45 -11.632 1.218 -18.334 1.00 0.00 C ATOM 0 H VAL A 45 -9.133 1.266 -18.164 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.613 -1.583 -18.231 1.00 0.00 H new ATOM 0 HB VAL A 45 -12.015 -0.879 -18.323 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.066 -0.051 -15.987 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.898 -1.378 -16.194 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.325 0.303 -16.085 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.570 1.475 -17.841 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.852 1.908 -18.012 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.758 1.291 -19.414 1.00 0.00 H new ATOM 772 N HIS A 53 -9.731 2.970 -21.950 1.00 0.00 N ATOM 773 CA HIS A 53 -9.987 4.131 -21.104 1.00 0.00 C ATOM 774 C HIS A 53 -9.162 4.045 -19.829 1.00 0.00 C ATOM 775 O HIS A 53 -8.978 2.964 -19.273 1.00 0.00 O ATOM 776 CB HIS A 53 -11.478 4.247 -20.767 1.00 0.00 C ATOM 777 CG HIS A 53 -12.331 4.566 -21.956 1.00 0.00 C ATOM 778 ND1 HIS A 53 -12.570 5.853 -22.384 1.00 0.00 N ATOM 779 CD2 HIS A 53 -12.975 3.758 -22.831 1.00 0.00 C ATOM 780 CE1 HIS A 53 -13.317 5.821 -23.469 1.00 0.00 C ATOM 781 NE2 HIS A 53 -13.577 4.563 -23.765 1.00 0.00 N ATOM 0 HA HIS A 53 -9.694 5.025 -21.655 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.818 3.310 -20.326 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -11.614 5.022 -20.013 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -13.009 2.679 -22.800 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -13.659 6.682 -24.024 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -14.133 4.241 -24.557 1.00 0.00 H new ATOM 790 N ASN A 54 -8.663 5.180 -19.369 1.00 0.00 N ATOM 791 CA ASN A 54 -7.789 5.210 -18.203 1.00 0.00 C ATOM 792 C ASN A 54 -8.593 5.512 -16.939 1.00 0.00 C ATOM 793 O ASN A 54 -9.359 6.478 -16.897 1.00 0.00 O ATOM 794 CB ASN A 54 -6.688 6.253 -18.403 1.00 0.00 C ATOM 795 CG ASN A 54 -5.568 6.144 -17.385 1.00 0.00 C ATOM 796 OD1 ASN A 54 -4.955 7.146 -17.011 1.00 0.00 O ATOM 797 ND2 ASN A 54 -5.271 4.930 -16.945 1.00 0.00 N ATOM 0 H ASN A 54 -8.847 6.094 -19.783 1.00 0.00 H new ATOM 0 HA ASN A 54 -7.326 4.230 -18.085 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.272 6.145 -19.404 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -7.126 7.249 -18.346 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.513 4.802 -16.274 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.800 4.124 -17.277 1.00 0.00 H new ATOM 804 N GLN A 55 -8.413 4.680 -15.922 1.00 0.00 N ATOM 805 CA GLN A 55 -9.179 4.785 -14.684 1.00 0.00 C ATOM 806 C GLN A 55 -8.240 4.995 -13.499 1.00 0.00 C ATOM 807 O GLN A 55 -7.074 4.614 -13.555 1.00 0.00 O ATOM 808 CB GLN A 55 -10.000 3.507 -14.481 1.00 0.00 C ATOM 809 CG GLN A 55 -10.835 3.496 -13.209 1.00 0.00 C ATOM 810 CD GLN A 55 -11.407 2.128 -12.901 1.00 0.00 C ATOM 811 OE1 GLN A 55 -12.516 1.791 -13.318 1.00 0.00 O ATOM 812 NE2 GLN A 55 -10.651 1.329 -12.163 1.00 0.00 N ATOM 0 H GLN A 55 -7.736 3.917 -15.930 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.852 5.640 -14.751 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.661 3.374 -15.337 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.323 2.653 -14.465 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.220 3.826 -12.372 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.650 4.213 -13.307 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.738 1.647 -11.838 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.982 0.395 -11.920 1.00 0.00 H new ATOM 821 N CYS A 56 -8.742 5.608 -12.436 1.00 0.00 N ATOM 822 CA CYS A 56 -7.945 5.795 -11.235 1.00 0.00 C ATOM 823 C CYS A 56 -8.352 4.793 -10.158 1.00 0.00 C ATOM 824 O CYS A 56 -9.427 4.189 -10.224 1.00 0.00 O ATOM 825 CB CYS A 56 -8.098 7.225 -10.712 1.00 0.00 C ATOM 826 SG CYS A 56 -9.803 7.697 -10.336 1.00 0.00 S ATOM 0 H CYS A 56 -9.690 5.981 -12.382 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.899 5.624 -11.488 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.495 7.337 -9.811 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.696 7.916 -11.453 1.00 0.00 H new ATOM 0 HG CYS A 56 -10.403 8.063 -11.430 1.00 0.00 H new ATOM 832 N LYS A 57 -7.495 4.630 -9.160 1.00 0.00 N ATOM 833 CA LYS A 57 -7.762 3.722 -8.063 1.00 0.00 C ATOM 834 C LYS A 57 -8.369 4.475 -6.897 1.00 0.00 C ATOM 835 O LYS A 57 -7.666 4.919 -5.989 1.00 0.00 O ATOM 836 CB LYS A 57 -6.494 2.990 -7.621 1.00 0.00 C ATOM 837 CG LYS A 57 -6.245 1.704 -8.387 1.00 0.00 C ATOM 838 CD LYS A 57 -4.939 1.048 -7.974 1.00 0.00 C ATOM 839 CE LYS A 57 -4.848 -0.379 -8.494 1.00 0.00 C ATOM 840 NZ LYS A 57 -5.121 -0.468 -9.952 1.00 0.00 N ATOM 0 H LYS A 57 -6.603 5.121 -9.091 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.473 2.973 -8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.638 3.652 -7.748 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.566 2.763 -6.557 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.070 1.013 -8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.224 1.915 -9.456 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.100 1.630 -8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.858 1.047 -6.887 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.854 -0.775 -8.288 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.559 -1.005 -7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.643 -1.304 -10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.146 -0.550 -10.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.765 0.387 -10.425 1.00 0.00 H new ATOM 854 N LEU A 58 -9.682 4.635 -6.976 1.00 0.00 N ATOM 855 CA LEU A 58 -10.478 5.284 -5.948 1.00 0.00 C ATOM 856 C LEU A 58 -10.267 6.786 -5.971 1.00 0.00 C ATOM 857 O LEU A 58 -9.228 7.299 -5.549 1.00 0.00 O ATOM 858 CB LEU A 58 -10.200 4.727 -4.552 1.00 0.00 C ATOM 859 CG LEU A 58 -10.767 3.329 -4.252 1.00 0.00 C ATOM 860 CD1 LEU A 58 -10.003 2.239 -4.993 1.00 0.00 C ATOM 861 CD2 LEU A 58 -10.752 3.066 -2.755 1.00 0.00 C ATOM 0 H LEU A 58 -10.233 4.311 -7.771 1.00 0.00 H new ATOM 0 HA LEU A 58 -11.522 5.069 -6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.121 4.698 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -10.604 5.425 -3.818 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.797 3.305 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.434 1.267 -4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.071 2.413 -6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.957 2.257 -4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.156 2.073 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.728 3.122 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.362 3.814 -2.248 1.00 0.00 H new ATOM 873 N CYS A 59 -11.281 7.465 -6.470 1.00 0.00 N ATOM 874 CA CYS A 59 -11.283 8.913 -6.637 1.00 0.00 C ATOM 875 C CYS A 59 -12.526 9.309 -7.416 1.00 0.00 C ATOM 876 O CYS A 59 -13.059 10.407 -7.254 1.00 0.00 O ATOM 877 CB CYS A 59 -10.030 9.395 -7.378 1.00 0.00 C ATOM 878 SG CYS A 59 -9.856 11.195 -7.451 1.00 0.00 S ATOM 0 H CYS A 59 -12.146 7.021 -6.778 1.00 0.00 H new ATOM 0 HA CYS A 59 -11.283 9.381 -5.652 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.150 8.976 -6.891 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -10.049 9.002 -8.394 1.00 0.00 H new ATOM 0 HG CYS A 59 -9.604 11.655 -6.262 1.00 0.00 H new ATOM 884 N GLY A 60 -12.985 8.394 -8.266 1.00 0.00 N ATOM 885 CA GLY A 60 -14.177 8.642 -9.049 1.00 0.00 C ATOM 886 C GLY A 60 -13.909 9.580 -10.204 1.00 0.00 C ATOM 887 O GLY A 60 -14.782 10.353 -10.609 1.00 0.00 O ATOM 0 H GLY A 60 -12.550 7.485 -8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.563 7.697 -9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.950 9.067 -8.409 1.00 0.00 H new ATOM 891 N ALA A 61 -12.706 9.499 -10.748 1.00 0.00 N ATOM 892 CA ALA A 61 -12.289 10.387 -11.820 1.00 0.00 C ATOM 893 C ALA A 61 -11.694 9.590 -12.971 1.00 0.00 C ATOM 894 O ALA A 61 -11.265 8.449 -12.794 1.00 0.00 O ATOM 895 CB ALA A 61 -11.287 11.406 -11.297 1.00 0.00 C ATOM 0 H ALA A 61 -11.997 8.823 -10.463 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.163 10.921 -12.192 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.982 12.066 -12.109 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.748 11.995 -10.504 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.413 10.888 -10.903 1.00 0.00 H new ATOM 901 N SER A 62 -11.679 10.182 -14.151 1.00 0.00 N ATOM 902 CA SER A 62 -11.130 9.522 -15.321 1.00 0.00 C ATOM 903 C SER A 62 -10.447 10.534 -16.235 1.00 0.00 C ATOM 904 O SER A 62 -10.737 11.731 -16.182 1.00 0.00 O ATOM 905 CB SER A 62 -12.234 8.770 -16.066 1.00 0.00 C ATOM 906 OG SER A 62 -12.843 7.804 -15.221 1.00 0.00 O ATOM 0 H SER A 62 -12.041 11.120 -14.325 1.00 0.00 H new ATOM 0 HA SER A 62 -10.379 8.801 -14.999 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.986 9.475 -16.421 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.817 8.280 -16.946 1.00 0.00 H new ATOM 0 HG SER A 62 -13.547 7.335 -15.715 1.00 0.00 H new ATOM 912 N VAL A 63 -9.528 10.044 -17.053 1.00 0.00 N ATOM 913 CA VAL A 63 -8.764 10.891 -17.957 1.00 0.00 C ATOM 914 C VAL A 63 -8.372 10.085 -19.196 1.00 0.00 C ATOM 915 O VAL A 63 -8.133 8.884 -19.094 1.00 0.00 O ATOM 916 CB VAL A 63 -7.499 11.449 -17.247 1.00 0.00 C ATOM 917 CG1 VAL A 63 -6.582 10.321 -16.792 1.00 0.00 C ATOM 918 CG2 VAL A 63 -6.742 12.431 -18.136 1.00 0.00 C ATOM 0 H VAL A 63 -9.291 9.053 -17.109 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.380 11.738 -18.259 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.838 11.992 -16.365 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.705 10.741 -16.299 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.117 9.676 -16.094 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.267 9.737 -17.657 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.864 12.800 -17.606 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.428 11.927 -19.050 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.392 13.269 -18.388 1.00 0.00 H new ATOM 928 N PRO A 64 -8.377 10.700 -20.392 1.00 0.00 N ATOM 929 CA PRO A 64 -7.890 10.045 -21.609 1.00 0.00 C ATOM 930 C PRO A 64 -6.482 9.481 -21.423 1.00 0.00 C ATOM 931 O PRO A 64 -5.592 10.174 -20.931 1.00 0.00 O ATOM 932 CB PRO A 64 -7.887 11.172 -22.645 1.00 0.00 C ATOM 933 CG PRO A 64 -8.917 12.134 -22.160 1.00 0.00 C ATOM 934 CD PRO A 64 -8.879 12.062 -20.658 1.00 0.00 C ATOM 0 HA PRO A 64 -8.508 9.194 -21.897 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.907 11.643 -22.715 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.132 10.797 -23.639 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.701 13.144 -22.508 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.905 11.871 -22.538 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.221 12.822 -20.236 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.866 12.218 -20.223 1.00 0.00 H new ATOM 942 N TRP A 65 -6.285 8.230 -21.835 1.00 0.00 N ATOM 943 CA TRP A 65 -5.011 7.533 -21.633 1.00 0.00 C ATOM 944 C TRP A 65 -3.880 8.173 -22.434 1.00 0.00 C ATOM 945 O TRP A 65 -2.714 7.809 -22.288 1.00 0.00 O ATOM 946 CB TRP A 65 -5.151 6.051 -21.998 1.00 0.00 C ATOM 947 CG TRP A 65 -5.647 5.803 -23.393 1.00 0.00 C ATOM 948 CD1 TRP A 65 -6.949 5.720 -23.791 1.00 0.00 C ATOM 949 CD2 TRP A 65 -4.854 5.590 -24.569 1.00 0.00 C ATOM 950 NE1 TRP A 65 -7.017 5.481 -25.140 1.00 0.00 N ATOM 951 CE2 TRP A 65 -5.745 5.394 -25.642 1.00 0.00 C ATOM 952 CE3 TRP A 65 -3.479 5.549 -24.821 1.00 0.00 C ATOM 953 CZ2 TRP A 65 -5.306 5.161 -26.943 1.00 0.00 C ATOM 954 CZ3 TRP A 65 -3.044 5.319 -26.111 1.00 0.00 C ATOM 955 CH2 TRP A 65 -3.956 5.127 -27.158 1.00 0.00 C ATOM 0 H TRP A 65 -6.994 7.674 -22.313 1.00 0.00 H new ATOM 0 HA TRP A 65 -4.754 7.618 -20.577 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.182 5.566 -21.878 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.834 5.578 -21.292 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.803 5.827 -23.138 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.876 5.384 -25.682 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -2.769 5.695 -24.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -6.006 5.013 -27.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -1.984 5.287 -26.317 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -3.584 4.948 -28.156 1.00 0.00 H new ATOM 966 N LEU A 66 -4.237 9.117 -23.288 1.00 0.00 N ATOM 967 CA LEU A 66 -3.253 9.886 -24.040 1.00 0.00 C ATOM 968 C LEU A 66 -2.468 10.804 -23.108 1.00 0.00 C ATOM 969 O LEU A 66 -1.312 11.135 -23.371 1.00 0.00 O ATOM 970 CB LEU A 66 -3.942 10.715 -25.127 1.00 0.00 C ATOM 971 CG LEU A 66 -4.685 9.908 -26.192 1.00 0.00 C ATOM 972 CD1 LEU A 66 -5.373 10.839 -27.177 1.00 0.00 C ATOM 973 CD2 LEU A 66 -3.726 8.978 -26.919 1.00 0.00 C ATOM 0 H LEU A 66 -5.206 9.372 -23.480 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.561 9.188 -24.512 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.649 11.393 -24.650 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.191 11.332 -25.620 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.446 9.302 -25.700 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.898 10.250 -27.929 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.087 11.468 -26.645 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.628 11.468 -27.664 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.271 8.411 -27.674 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.944 9.566 -27.401 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.274 8.290 -26.204 1.00 0.00 H new ATOM 985 N GLN A 67 -3.104 11.195 -22.009 1.00 0.00 N ATOM 986 CA GLN A 67 -2.496 12.102 -21.046 1.00 0.00 C ATOM 987 C GLN A 67 -1.912 11.327 -19.873 1.00 0.00 C ATOM 988 O GLN A 67 -1.838 10.094 -19.905 1.00 0.00 O ATOM 989 CB GLN A 67 -3.534 13.110 -20.546 1.00 0.00 C ATOM 990 CG GLN A 67 -4.083 14.006 -21.642 1.00 0.00 C ATOM 991 CD GLN A 67 -5.129 14.986 -21.146 1.00 0.00 C ATOM 992 OE1 GLN A 67 -6.030 15.372 -21.894 1.00 0.00 O ATOM 993 NE2 GLN A 67 -5.020 15.402 -19.894 1.00 0.00 N ATOM 0 H GLN A 67 -4.047 10.895 -21.763 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.687 12.640 -21.541 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.359 12.570 -20.081 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.083 13.731 -19.772 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.261 14.560 -22.095 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.518 13.386 -22.425 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.260 15.059 -19.307 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.696 16.066 -19.516 1.00 0.00 H new ATOM 1002 N THR A 68 -1.501 12.044 -18.837 1.00 0.00 N ATOM 1003 CA THR A 68 -0.899 11.417 -17.677 1.00 0.00 C ATOM 1004 C THR A 68 -1.972 11.108 -16.635 1.00 0.00 C ATOM 1005 O THR A 68 -3.129 11.506 -16.782 1.00 0.00 O ATOM 1006 CB THR A 68 0.215 12.305 -17.069 1.00 0.00 C ATOM 1007 OG1 THR A 68 0.923 11.595 -16.043 1.00 0.00 O ATOM 1008 CG2 THR A 68 -0.352 13.597 -16.492 1.00 0.00 C ATOM 0 H THR A 68 -1.575 13.060 -18.779 1.00 0.00 H new ATOM 0 HA THR A 68 -0.436 10.483 -17.996 1.00 0.00 H new ATOM 0 HB THR A 68 0.903 12.559 -17.876 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.624 12.170 -15.671 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.458 14.195 -16.074 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.849 14.161 -17.281 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.071 13.360 -15.707 1.00 0.00 H new ATOM 1016 N GLY A 69 -1.587 10.402 -15.588 1.00 0.00 N ATOM 1017 CA GLY A 69 -2.546 9.986 -14.594 1.00 0.00 C ATOM 1018 C GLY A 69 -2.441 10.785 -13.315 1.00 0.00 C ATOM 1019 O GLY A 69 -1.363 11.274 -12.971 1.00 0.00 O ATOM 0 H GLY A 69 -0.626 10.109 -15.409 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.552 10.088 -15.000 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.398 8.929 -14.371 1.00 0.00 H new ATOM 1091 N HIS A 74 -7.968 15.299 -6.860 1.00 0.00 N ATOM 1092 CA HIS A 74 -8.213 14.090 -6.087 1.00 0.00 C ATOM 1093 C HIS A 74 -9.337 14.307 -5.084 1.00 0.00 C ATOM 1094 O HIS A 74 -9.916 15.390 -5.014 1.00 0.00 O ATOM 1095 CB HIS A 74 -6.942 13.693 -5.338 1.00 0.00 C ATOM 1096 CG HIS A 74 -6.395 12.368 -5.744 1.00 0.00 C ATOM 1097 ND1 HIS A 74 -6.069 11.385 -4.842 1.00 0.00 N ATOM 1098 CD2 HIS A 74 -6.093 11.873 -6.962 1.00 0.00 C ATOM 1099 CE1 HIS A 74 -5.588 10.345 -5.490 1.00 0.00 C ATOM 1100 NE2 HIS A 74 -5.585 10.613 -6.782 1.00 0.00 N ATOM 0 HA HIS A 74 -8.504 13.296 -6.775 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -6.181 14.456 -5.502 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -7.151 13.677 -4.268 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -6.227 12.378 -7.907 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.251 9.424 -5.038 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.260 9.989 -7.521 1.00 0.00 H new ATOM 1109 N ALA A 75 -9.634 13.275 -4.308 1.00 0.00 N ATOM 1110 CA ALA A 75 -10.618 13.369 -3.243 1.00 0.00 C ATOM 1111 C ALA A 75 -10.024 12.854 -1.940 1.00 0.00 C ATOM 1112 O ALA A 75 -9.210 11.931 -1.946 1.00 0.00 O ATOM 1113 CB ALA A 75 -11.867 12.583 -3.604 1.00 0.00 C ATOM 0 H ALA A 75 -9.202 12.355 -4.399 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.897 14.415 -3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.594 12.664 -2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.298 12.985 -4.521 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.607 11.535 -3.755 1.00 0.00 H new ATOM 1119 N ASP A 76 -10.436 13.449 -0.828 1.00 0.00 N ATOM 1120 CA ASP A 76 -9.921 13.086 0.486 1.00 0.00 C ATOM 1121 C ASP A 76 -10.594 11.815 0.990 1.00 0.00 C ATOM 1122 O ASP A 76 -10.133 11.178 1.935 1.00 0.00 O ATOM 1123 CB ASP A 76 -10.166 14.226 1.474 1.00 0.00 C ATOM 1124 CG ASP A 76 -9.492 15.523 1.065 1.00 0.00 C ATOM 1125 OD1 ASP A 76 -8.267 15.657 1.261 1.00 0.00 O ATOM 1126 OD2 ASP A 76 -10.192 16.430 0.560 1.00 0.00 O ATOM 0 H ASP A 76 -11.133 14.193 -0.811 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.849 12.905 0.401 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.239 14.394 1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.804 13.930 2.458 1.00 0.00 H new ATOM 1131 N ASP A 77 -11.694 11.459 0.339 1.00 0.00 N ATOM 1132 CA ASP A 77 -12.454 10.252 0.669 1.00 0.00 C ATOM 1133 C ASP A 77 -11.662 8.990 0.322 1.00 0.00 C ATOM 1134 O ASP A 77 -11.961 7.895 0.800 1.00 0.00 O ATOM 1135 CB ASP A 77 -13.785 10.269 -0.100 1.00 0.00 C ATOM 1136 CG ASP A 77 -14.618 9.015 0.102 1.00 0.00 C ATOM 1137 OD1 ASP A 77 -15.339 8.930 1.118 1.00 0.00 O ATOM 1138 OD2 ASP A 77 -14.580 8.121 -0.774 1.00 0.00 O ATOM 0 H ASP A 77 -12.088 11.996 -0.433 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.647 10.240 1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -14.366 11.136 0.214 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.579 10.392 -1.163 1.00 0.00 H new ATOM 1143 N CYS A 78 -10.635 9.159 -0.498 1.00 0.00 N ATOM 1144 CA CYS A 78 -9.871 8.035 -1.020 1.00 0.00 C ATOM 1145 C CYS A 78 -8.692 7.680 -0.107 1.00 0.00 C ATOM 1146 O CYS A 78 -7.852 8.528 0.196 1.00 0.00 O ATOM 1147 CB CYS A 78 -9.375 8.387 -2.417 1.00 0.00 C ATOM 1148 SG CYS A 78 -10.635 9.175 -3.442 1.00 0.00 S ATOM 0 H CYS A 78 -10.310 10.071 -0.818 1.00 0.00 H new ATOM 0 HA CYS A 78 -10.518 7.159 -1.062 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -8.516 9.052 -2.333 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -9.029 7.480 -2.912 1.00 0.00 H new ATOM 0 HG CYS A 78 -11.429 8.268 -3.928 1.00 0.00 H new ATOM 1154 N PRO A 79 -8.606 6.405 0.318 1.00 0.00 N ATOM 1155 CA PRO A 79 -7.546 5.919 1.219 1.00 0.00 C ATOM 1156 C PRO A 79 -6.143 6.071 0.634 1.00 0.00 C ATOM 1157 O PRO A 79 -5.152 5.978 1.356 1.00 0.00 O ATOM 1158 CB PRO A 79 -7.877 4.435 1.409 1.00 0.00 C ATOM 1159 CG PRO A 79 -9.312 4.311 1.037 1.00 0.00 C ATOM 1160 CD PRO A 79 -9.552 5.337 -0.031 1.00 0.00 C ATOM 0 HA PRO A 79 -7.528 6.493 2.145 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -7.250 3.806 0.777 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -7.708 4.121 2.439 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -9.535 3.308 0.672 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -9.955 4.487 1.899 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.359 4.936 -1.026 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.582 5.693 -0.025 1.00 0.00 H new ATOM 1168 N VAL A 80 -6.066 6.307 -0.671 1.00 0.00 N ATOM 1169 CA VAL A 80 -4.790 6.526 -1.341 1.00 0.00 C ATOM 1170 C VAL A 80 -4.091 7.774 -0.798 1.00 0.00 C ATOM 1171 O VAL A 80 -2.861 7.852 -0.782 1.00 0.00 O ATOM 1172 CB VAL A 80 -4.962 6.642 -2.871 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -5.373 5.304 -3.461 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -5.979 7.715 -3.225 1.00 0.00 C ATOM 0 H VAL A 80 -6.877 6.352 -1.288 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.167 5.656 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.002 6.932 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.490 5.403 -4.540 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.606 4.560 -3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -6.319 4.987 -3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.081 7.776 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.943 7.463 -2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.643 8.677 -2.837 1.00 0.00 H new ATOM 1184 N VAL A 81 -4.883 8.743 -0.340 1.00 0.00 N ATOM 1185 CA VAL A 81 -4.343 9.964 0.247 1.00 0.00 C ATOM 1186 C VAL A 81 -3.621 9.646 1.556 1.00 0.00 C ATOM 1187 O VAL A 81 -2.650 10.307 1.921 1.00 0.00 O ATOM 1188 CB VAL A 81 -5.452 11.010 0.503 1.00 0.00 C ATOM 1189 CG1 VAL A 81 -4.872 12.299 1.078 1.00 0.00 C ATOM 1190 CG2 VAL A 81 -6.216 11.296 -0.782 1.00 0.00 C ATOM 0 H VAL A 81 -5.902 8.704 -0.365 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.635 10.388 -0.466 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.143 10.597 1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.676 13.016 1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.373 12.084 2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.153 12.720 0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.994 12.034 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.529 11.683 -1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.673 10.376 -1.146 1.00 0.00 H new ATOM 1200 N ILE A 82 -4.093 8.612 2.245 1.00 0.00 N ATOM 1201 CA ILE A 82 -3.459 8.156 3.476 1.00 0.00 C ATOM 1202 C ILE A 82 -2.031 7.700 3.194 1.00 0.00 C ATOM 1203 O ILE A 82 -1.101 8.075 3.903 1.00 0.00 O ATOM 1204 CB ILE A 82 -4.248 6.993 4.125 1.00 0.00 C ATOM 1205 CG1 ILE A 82 -5.665 7.443 4.500 1.00 0.00 C ATOM 1206 CG2 ILE A 82 -3.519 6.457 5.354 1.00 0.00 C ATOM 1207 CD1 ILE A 82 -5.704 8.512 5.575 1.00 0.00 C ATOM 0 H ILE A 82 -4.914 8.073 1.971 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.449 8.996 4.171 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.321 6.188 3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.164 7.820 3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.233 6.577 4.841 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.094 5.641 5.791 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.534 6.091 5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.407 7.255 6.088 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.740 8.778 5.786 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.235 8.132 6.483 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.166 9.395 5.230 1.00 0.00 H new ATOM 1219 N ALA A 83 -1.868 6.912 2.136 1.00 0.00 N ATOM 1220 CA ALA A 83 -0.559 6.368 1.767 1.00 0.00 C ATOM 1221 C ALA A 83 0.465 7.475 1.514 1.00 0.00 C ATOM 1222 O ALA A 83 1.578 7.440 2.049 1.00 0.00 O ATOM 1223 CB ALA A 83 -0.688 5.479 0.539 1.00 0.00 C ATOM 0 H ALA A 83 -2.627 6.633 1.515 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.199 5.773 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.291 5.080 0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.369 4.656 0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.079 6.063 -0.294 1.00 0.00 H new ATOM 1229 N LYS A 84 0.086 8.461 0.706 1.00 0.00 N ATOM 1230 CA LYS A 84 0.981 9.570 0.383 1.00 0.00 C ATOM 1231 C LYS A 84 1.227 10.446 1.608 1.00 0.00 C ATOM 1232 O LYS A 84 2.281 11.067 1.740 1.00 0.00 O ATOM 1233 CB LYS A 84 0.419 10.409 -0.769 1.00 0.00 C ATOM 1234 CG LYS A 84 -1.010 10.875 -0.555 1.00 0.00 C ATOM 1235 CD LYS A 84 -1.441 11.889 -1.602 1.00 0.00 C ATOM 1236 CE LYS A 84 -0.742 13.226 -1.407 1.00 0.00 C ATOM 1237 NZ LYS A 84 -1.286 14.272 -2.311 1.00 0.00 N ATOM 0 H LYS A 84 -0.831 8.516 0.264 1.00 0.00 H new ATOM 0 HA LYS A 84 1.934 9.147 0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.057 11.281 -0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.466 9.824 -1.687 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.680 10.016 -0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.103 11.317 0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.218 11.503 -2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.520 12.031 -1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.854 13.547 -0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.326 13.108 -1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.784 15.168 -2.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.156 13.978 -3.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.300 14.404 -2.119 1.00 0.00 H new ATOM 1251 N GLN A 85 0.250 10.492 2.504 1.00 0.00 N ATOM 1252 CA GLN A 85 0.388 11.244 3.744 1.00 0.00 C ATOM 1253 C GLN A 85 1.376 10.554 4.684 1.00 0.00 C ATOM 1254 O GLN A 85 2.180 11.212 5.343 1.00 0.00 O ATOM 1255 CB GLN A 85 -0.970 11.409 4.429 1.00 0.00 C ATOM 1256 CG GLN A 85 -0.910 12.216 5.717 1.00 0.00 C ATOM 1257 CD GLN A 85 -2.261 12.345 6.394 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -2.644 11.503 7.203 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -2.985 13.407 6.079 1.00 0.00 N ATOM 0 H GLN A 85 -0.646 10.018 2.395 1.00 0.00 H new ATOM 0 HA GLN A 85 0.775 12.234 3.500 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.659 11.895 3.738 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -1.379 10.423 4.647 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -0.208 11.743 6.404 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.522 13.211 5.499 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.631 14.083 5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.897 13.549 6.513 1.00 0.00 H new ATOM 1268 N ILE A 86 1.319 9.227 4.729 1.00 0.00 N ATOM 1269 CA ILE A 86 2.196 8.446 5.591 1.00 0.00 C ATOM 1270 C ILE A 86 3.656 8.596 5.176 1.00 0.00 C ATOM 1271 O ILE A 86 4.518 8.864 6.014 1.00 0.00 O ATOM 1272 CB ILE A 86 1.815 6.949 5.595 1.00 0.00 C ATOM 1273 CG1 ILE A 86 0.421 6.754 6.203 1.00 0.00 C ATOM 1274 CG2 ILE A 86 2.845 6.145 6.374 1.00 0.00 C ATOM 1275 CD1 ILE A 86 -0.057 5.318 6.183 1.00 0.00 C ATOM 0 H ILE A 86 0.670 8.668 4.175 1.00 0.00 H new ATOM 0 HA ILE A 86 2.069 8.838 6.600 1.00 0.00 H new ATOM 0 HB ILE A 86 1.798 6.593 4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.431 7.110 7.233 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.293 7.373 5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.564 5.092 6.369 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.824 6.262 5.910 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.885 6.505 7.402 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.050 5.259 6.629 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.100 4.963 5.153 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.634 4.696 6.752 1.00 0.00 H new ATOM 1287 N LEU A 87 3.934 8.449 3.881 1.00 0.00 N ATOM 1288 CA LEU A 87 5.310 8.545 3.391 1.00 0.00 C ATOM 1289 C LEU A 87 5.838 9.976 3.506 1.00 0.00 C ATOM 1290 O LEU A 87 7.049 10.207 3.507 1.00 0.00 O ATOM 1291 CB LEU A 87 5.421 8.013 1.948 1.00 0.00 C ATOM 1292 CG LEU A 87 4.511 8.668 0.903 1.00 0.00 C ATOM 1293 CD1 LEU A 87 5.119 9.962 0.374 1.00 0.00 C ATOM 1294 CD2 LEU A 87 4.242 7.699 -0.238 1.00 0.00 C ATOM 0 H LEU A 87 3.236 8.265 3.160 1.00 0.00 H new ATOM 0 HA LEU A 87 5.937 7.915 4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.454 8.129 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.209 6.944 1.962 1.00 0.00 H new ATOM 0 HG LEU A 87 3.566 8.918 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.450 10.403 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.260 10.661 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.082 9.749 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.595 8.175 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.185 7.421 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.754 6.805 0.151 1.00 0.00 H new ATOM 1306 N SER A 88 4.924 10.932 3.600 1.00 0.00 N ATOM 1307 CA SER A 88 5.290 12.320 3.837 1.00 0.00 C ATOM 1308 C SER A 88 5.506 12.533 5.333 1.00 0.00 C ATOM 1309 O SER A 88 6.420 13.250 5.751 1.00 0.00 O ATOM 1310 CB SER A 88 4.189 13.248 3.314 1.00 0.00 C ATOM 1311 OG SER A 88 4.572 14.608 3.393 1.00 0.00 O ATOM 0 H SER A 88 3.921 10.770 3.515 1.00 0.00 H new ATOM 0 HA SER A 88 6.214 12.553 3.307 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.959 12.994 2.279 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.277 13.092 3.890 1.00 0.00 H new ATOM 0 HG SER A 88 3.848 15.172 3.050 1.00 0.00 H new ATOM 1317 N SER A 89 4.659 11.870 6.121 1.00 0.00 N ATOM 1318 CA SER A 89 4.717 11.903 7.575 1.00 0.00 C ATOM 1319 C SER A 89 4.350 13.290 8.101 1.00 0.00 C ATOM 1320 O SER A 89 3.920 14.158 7.333 1.00 0.00 O ATOM 1321 CB SER A 89 6.098 11.466 8.079 1.00 0.00 C ATOM 1322 OG SER A 89 6.039 11.062 9.438 1.00 0.00 O ATOM 0 H SER A 89 3.904 11.288 5.758 1.00 0.00 H new ATOM 0 HA SER A 89 3.984 11.194 7.960 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.469 10.644 7.467 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.805 12.288 7.971 1.00 0.00 H new ATOM 0 HG SER A 89 5.302 10.427 9.559 1.00 0.00 H new ATOM 1328 N ARG A 90 4.506 13.477 9.412 1.00 0.00 N ATOM 1329 CA ARG A 90 4.127 14.719 10.081 1.00 0.00 C ATOM 1330 C ARG A 90 2.626 14.973 9.904 1.00 0.00 C ATOM 1331 O ARG A 90 2.212 15.759 9.052 1.00 0.00 O ATOM 1332 CB ARG A 90 4.955 15.894 9.542 1.00 0.00 C ATOM 1333 CG ARG A 90 4.822 17.177 10.346 1.00 0.00 C ATOM 1334 CD ARG A 90 5.741 18.257 9.798 1.00 0.00 C ATOM 1335 NE ARG A 90 5.729 19.464 10.620 1.00 0.00 N ATOM 1336 CZ ARG A 90 6.784 20.261 10.791 1.00 0.00 C ATOM 1337 NH1 ARG A 90 7.941 19.979 10.199 1.00 0.00 N ATOM 1338 NH2 ARG A 90 6.673 21.342 11.550 1.00 0.00 N ATOM 0 H ARG A 90 4.898 12.773 10.037 1.00 0.00 H new ATOM 0 HA ARG A 90 4.335 14.626 11.147 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.005 15.602 9.518 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.655 16.092 8.513 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.789 17.524 10.317 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.064 16.983 11.391 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.758 17.870 9.739 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.437 18.509 8.782 1.00 0.00 H new ATOM 0 HE ARG A 90 4.860 19.713 11.092 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.024 19.150 9.611 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.745 20.592 10.333 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.784 21.560 12.000 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.477 21.955 11.684 1.00 0.00 H new ATOM 1710 N TYR B 18 0.000 5.960 15.248 1.00 0.00 N ATOM 1711 CA TYR B 18 1.109 6.054 14.309 1.00 0.00 C ATOM 1712 C TYR B 18 2.153 4.962 14.574 1.00 0.00 C ATOM 1713 O TYR B 18 1.896 4.005 15.309 1.00 0.00 O ATOM 1714 CB TYR B 18 1.741 7.448 14.415 1.00 0.00 C ATOM 1715 CG TYR B 18 2.295 7.977 13.110 1.00 0.00 C ATOM 1716 CD1 TYR B 18 1.506 8.019 11.969 1.00 0.00 C ATOM 1717 CD2 TYR B 18 3.598 8.450 13.022 1.00 0.00 C ATOM 1718 CE1 TYR B 18 1.999 8.513 10.778 1.00 0.00 C ATOM 1719 CE2 TYR B 18 4.098 8.944 11.833 1.00 0.00 C ATOM 1720 CZ TYR B 18 3.294 8.974 10.714 1.00 0.00 C ATOM 1721 OH TYR B 18 3.784 9.472 9.529 1.00 0.00 O ATOM 0 HA TYR B 18 0.731 5.903 13.298 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.993 8.147 14.789 1.00 0.00 H new ATOM 0 HB3 TYR B 18 2.544 7.416 15.152 1.00 0.00 H new ATOM 0 HD1 TYR B 18 0.489 7.659 12.014 1.00 0.00 H new ATOM 0 HD2 TYR B 18 4.230 8.431 13.897 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.371 8.538 9.900 1.00 0.00 H new ATOM 0 HE2 TYR B 18 5.114 9.305 11.780 1.00 0.00 H new ATOM 0 HH TYR B 18 3.086 9.429 8.842 1.00 0.00 H new ATOM 1731 N PHE B 19 3.327 5.113 13.969 1.00 0.00 N ATOM 1732 CA PHE B 19 4.397 4.131 14.100 1.00 0.00 C ATOM 1733 C PHE B 19 4.918 4.072 15.529 1.00 0.00 C ATOM 1734 O PHE B 19 4.836 5.054 16.272 1.00 0.00 O ATOM 1735 CB PHE B 19 5.546 4.460 13.144 1.00 0.00 C ATOM 1736 CG PHE B 19 5.157 4.409 11.694 1.00 0.00 C ATOM 1737 CD1 PHE B 19 4.977 3.191 11.057 1.00 0.00 C ATOM 1738 CD2 PHE B 19 4.972 5.575 10.970 1.00 0.00 C ATOM 1739 CE1 PHE B 19 4.618 3.138 9.725 1.00 0.00 C ATOM 1740 CE2 PHE B 19 4.614 5.528 9.636 1.00 0.00 C ATOM 1741 CZ PHE B 19 4.436 4.307 9.013 1.00 0.00 C ATOM 0 H PHE B 19 3.562 5.912 13.380 1.00 0.00 H new ATOM 0 HA PHE B 19 3.985 3.155 13.842 1.00 0.00 H new ATOM 0 HB2 PHE B 19 5.925 5.455 13.375 1.00 0.00 H new ATOM 0 HB3 PHE B 19 6.363 3.760 13.317 1.00 0.00 H new ATOM 0 HD1 PHE B 19 5.119 2.274 11.609 1.00 0.00 H new ATOM 0 HD2 PHE B 19 5.109 6.531 11.453 1.00 0.00 H new ATOM 0 HE1 PHE B 19 4.480 2.183 9.240 1.00 0.00 H new ATOM 0 HE2 PHE B 19 4.474 6.444 9.081 1.00 0.00 H new ATOM 0 HZ PHE B 19 4.155 4.267 7.971 1.00 0.00 H new ATOM 1751 N GLN B 20 5.459 2.910 15.897 1.00 0.00 N ATOM 1752 CA GLN B 20 5.962 2.654 17.239 1.00 0.00 C ATOM 1753 C GLN B 20 4.864 2.820 18.288 1.00 0.00 C ATOM 1754 O GLN B 20 5.130 3.080 19.462 1.00 0.00 O ATOM 1755 CB GLN B 20 7.165 3.540 17.536 1.00 0.00 C ATOM 1756 CG GLN B 20 8.406 3.140 16.752 1.00 0.00 C ATOM 1757 CD GLN B 20 9.586 4.057 17.004 1.00 0.00 C ATOM 1758 OE1 GLN B 20 9.419 5.247 17.260 1.00 0.00 O ATOM 1759 NE2 GLN B 20 10.789 3.509 16.931 1.00 0.00 N ATOM 0 H GLN B 20 5.559 2.116 15.264 1.00 0.00 H new ATOM 0 HA GLN B 20 6.291 1.616 17.287 1.00 0.00 H new ATOM 0 HB2 GLN B 20 6.913 4.575 17.304 1.00 0.00 H new ATOM 0 HB3 GLN B 20 7.386 3.497 18.602 1.00 0.00 H new ATOM 0 HG2 GLN B 20 8.683 2.119 17.016 1.00 0.00 H new ATOM 0 HG3 GLN B 20 8.173 3.141 15.687 1.00 0.00 H new ATOM 0 HE21 GLN B 20 10.885 2.517 16.716 1.00 0.00 H new ATOM 0 HE22 GLN B 20 11.620 4.079 17.090 1.00 0.00 H new ATOM 1768 N GLY B 21 3.630 2.652 17.843 1.00 0.00 N ATOM 1769 CA GLY B 21 2.497 2.590 18.737 1.00 0.00 C ATOM 1770 C GLY B 21 1.546 1.513 18.274 1.00 0.00 C ATOM 1771 O GLY B 21 0.359 1.750 18.075 1.00 0.00 O ATOM 0 H GLY B 21 3.391 2.556 16.856 1.00 0.00 H new ATOM 0 HA2 GLY B 21 2.833 2.381 19.753 1.00 0.00 H new ATOM 0 HA3 GLY B 21 1.987 3.553 18.762 1.00 0.00 H new ATOM 1775 N MET B 22 2.080 0.321 18.080 1.00 0.00 N ATOM 1776 CA MET B 22 1.329 -0.743 17.442 1.00 0.00 C ATOM 1777 C MET B 22 0.924 -1.817 18.433 1.00 0.00 C ATOM 1778 O MET B 22 1.755 -2.371 19.154 1.00 0.00 O ATOM 1779 CB MET B 22 2.139 -1.342 16.295 1.00 0.00 C ATOM 1780 CG MET B 22 2.361 -0.361 15.155 1.00 0.00 C ATOM 1781 SD MET B 22 3.337 -1.051 13.809 1.00 0.00 S ATOM 1782 CE MET B 22 3.279 0.306 12.642 1.00 0.00 C ATOM 0 H MET B 22 3.029 0.066 18.355 1.00 0.00 H new ATOM 0 HA MET B 22 0.412 -0.312 17.040 1.00 0.00 H new ATOM 0 HB2 MET B 22 3.105 -1.676 16.674 1.00 0.00 H new ATOM 0 HB3 MET B 22 1.624 -2.224 15.914 1.00 0.00 H new ATOM 0 HG2 MET B 22 1.394 -0.039 14.767 1.00 0.00 H new ATOM 0 HG3 MET B 22 2.861 0.527 15.540 1.00 0.00 H new ATOM 0 HE1 MET B 22 3.461 -0.071 11.636 1.00 0.00 H new ATOM 0 HE2 MET B 22 2.297 0.778 12.681 1.00 0.00 H new ATOM 0 HE3 MET B 22 4.044 1.039 12.898 1.00 0.00 H new ATOM 1792 N THR B 23 -0.371 -2.086 18.464 1.00 0.00 N ATOM 1793 CA THR B 23 -0.937 -3.105 19.332 1.00 0.00 C ATOM 1794 C THR B 23 -2.250 -3.635 18.751 1.00 0.00 C ATOM 1795 O THR B 23 -2.509 -4.838 18.775 1.00 0.00 O ATOM 1796 CB THR B 23 -1.166 -2.572 20.771 1.00 0.00 C ATOM 1797 OG1 THR B 23 -1.850 -3.546 21.570 1.00 0.00 O ATOM 1798 CG2 THR B 23 -1.957 -1.269 20.767 1.00 0.00 C ATOM 0 H THR B 23 -1.060 -1.603 17.887 1.00 0.00 H new ATOM 0 HA THR B 23 -0.217 -3.921 19.390 1.00 0.00 H new ATOM 0 HB THR B 23 -0.184 -2.377 21.202 1.00 0.00 H new ATOM 0 HG1 THR B 23 -1.984 -3.192 22.474 1.00 0.00 H new ATOM 0 HG21 THR B 23 -2.098 -0.926 21.792 1.00 0.00 H new ATOM 0 HG22 THR B 23 -1.410 -0.513 20.203 1.00 0.00 H new ATOM 0 HG23 THR B 23 -2.929 -1.435 20.303 1.00 0.00 H new ATOM 1806 N ASP B 24 -3.064 -2.736 18.201 1.00 0.00 N ATOM 1807 CA ASP B 24 -4.373 -3.119 17.681 1.00 0.00 C ATOM 1808 C ASP B 24 -4.869 -2.122 16.634 1.00 0.00 C ATOM 1809 O ASP B 24 -5.141 -2.489 15.493 1.00 0.00 O ATOM 1810 CB ASP B 24 -5.375 -3.216 18.833 1.00 0.00 C ATOM 1811 CG ASP B 24 -6.758 -3.638 18.386 1.00 0.00 C ATOM 1812 OD1 ASP B 24 -6.975 -4.849 18.182 1.00 0.00 O ATOM 1813 OD2 ASP B 24 -7.640 -2.763 18.273 1.00 0.00 O ATOM 0 H ASP B 24 -2.842 -1.745 18.105 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.279 -4.091 17.197 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -5.005 -3.929 19.569 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -5.441 -2.249 19.331 1.00 0.00 H new ATOM 1818 N THR B 25 -4.960 -0.859 17.032 1.00 0.00 N ATOM 1819 CA THR B 25 -5.465 0.208 16.171 1.00 0.00 C ATOM 1820 C THR B 25 -4.674 0.336 14.867 1.00 0.00 C ATOM 1821 O THR B 25 -5.247 0.279 13.781 1.00 0.00 O ATOM 1822 CB THR B 25 -5.419 1.543 16.927 1.00 0.00 C ATOM 1823 OG1 THR B 25 -4.256 1.566 17.772 1.00 0.00 O ATOM 1824 CG2 THR B 25 -6.670 1.733 17.768 1.00 0.00 C ATOM 0 H THR B 25 -4.686 -0.543 17.962 1.00 0.00 H new ATOM 0 HA THR B 25 -6.491 -0.049 15.907 1.00 0.00 H new ATOM 0 HB THR B 25 -5.369 2.356 16.203 1.00 0.00 H new ATOM 0 HG1 THR B 25 -4.220 2.417 18.256 1.00 0.00 H new ATOM 0 HG21 THR B 25 -6.614 2.686 18.294 1.00 0.00 H new ATOM 0 HG22 THR B 25 -7.547 1.727 17.121 1.00 0.00 H new ATOM 0 HG23 THR B 25 -6.748 0.923 18.493 1.00 0.00 H new ATOM 1832 N ALA B 26 -3.358 0.476 14.990 1.00 0.00 N ATOM 1833 CA ALA B 26 -2.477 0.669 13.834 1.00 0.00 C ATOM 1834 C ALA B 26 -2.635 -0.439 12.788 1.00 0.00 C ATOM 1835 O ALA B 26 -2.376 -0.229 11.604 1.00 0.00 O ATOM 1836 CB ALA B 26 -1.030 0.750 14.298 1.00 0.00 C ATOM 0 H ALA B 26 -2.871 0.460 15.886 1.00 0.00 H new ATOM 0 HA ALA B 26 -2.765 1.605 13.355 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.379 0.893 13.436 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.914 1.589 14.984 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -0.759 -0.175 14.807 1.00 0.00 H new ATOM 1842 N ALA B 27 -3.074 -1.615 13.229 1.00 0.00 N ATOM 1843 CA ALA B 27 -3.258 -2.747 12.329 1.00 0.00 C ATOM 1844 C ALA B 27 -4.425 -2.503 11.380 1.00 0.00 C ATOM 1845 O ALA B 27 -4.438 -2.995 10.253 1.00 0.00 O ATOM 1846 CB ALA B 27 -3.482 -4.030 13.123 1.00 0.00 C ATOM 0 H ALA B 27 -3.308 -1.808 14.203 1.00 0.00 H new ATOM 0 HA ALA B 27 -2.351 -2.857 11.735 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -3.617 -4.865 12.435 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -2.617 -4.220 13.759 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -4.372 -3.923 13.744 1.00 0.00 H new ATOM 1852 N GLU B 28 -5.387 -1.720 11.837 1.00 0.00 N ATOM 1853 CA GLU B 28 -6.594 -1.450 11.074 1.00 0.00 C ATOM 1854 C GLU B 28 -6.329 -0.376 10.018 1.00 0.00 C ATOM 1855 O GLU B 28 -6.755 -0.498 8.870 1.00 0.00 O ATOM 1856 CB GLU B 28 -7.704 -1.012 12.032 1.00 0.00 C ATOM 1857 CG GLU B 28 -9.017 -1.757 11.840 1.00 0.00 C ATOM 1858 CD GLU B 28 -9.710 -1.423 10.536 1.00 0.00 C ATOM 1859 OE1 GLU B 28 -9.384 -2.045 9.505 1.00 0.00 O ATOM 1860 OE2 GLU B 28 -10.605 -0.551 10.542 1.00 0.00 O ATOM 0 H GLU B 28 -5.354 -1.255 12.744 1.00 0.00 H new ATOM 0 HA GLU B 28 -6.908 -2.355 10.555 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -7.363 -1.156 13.057 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -7.882 0.056 11.902 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -8.827 -2.830 11.878 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -9.685 -1.522 12.669 1.00 0.00 H new ATOM 1867 N ASP B 29 -5.594 0.656 10.411 1.00 0.00 N ATOM 1868 CA ASP B 29 -5.260 1.760 9.510 1.00 0.00 C ATOM 1869 C ASP B 29 -4.434 1.274 8.319 1.00 0.00 C ATOM 1870 O ASP B 29 -4.713 1.626 7.172 1.00 0.00 O ATOM 1871 CB ASP B 29 -4.496 2.855 10.261 1.00 0.00 C ATOM 1872 CG ASP B 29 -5.353 3.565 11.293 1.00 0.00 C ATOM 1873 OD1 ASP B 29 -6.180 4.418 10.899 1.00 0.00 O ATOM 1874 OD2 ASP B 29 -5.197 3.278 12.497 1.00 0.00 O ATOM 0 H ASP B 29 -5.214 0.755 11.352 1.00 0.00 H new ATOM 0 HA ASP B 29 -6.196 2.172 9.133 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -3.630 2.414 10.755 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -4.118 3.585 9.545 1.00 0.00 H new ATOM 1879 N VAL B 30 -3.426 0.453 8.592 1.00 0.00 N ATOM 1880 CA VAL B 30 -2.569 -0.078 7.534 1.00 0.00 C ATOM 1881 C VAL B 30 -3.326 -1.098 6.685 1.00 0.00 C ATOM 1882 O VAL B 30 -3.107 -1.203 5.478 1.00 0.00 O ATOM 1883 CB VAL B 30 -1.286 -0.722 8.111 1.00 0.00 C ATOM 1884 CG1 VAL B 30 -0.407 -1.288 7.002 1.00 0.00 C ATOM 1885 CG2 VAL B 30 -0.508 0.294 8.936 1.00 0.00 C ATOM 0 H VAL B 30 -3.182 0.141 9.532 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.275 0.761 6.904 1.00 0.00 H new ATOM 0 HB VAL B 30 -1.585 -1.547 8.758 1.00 0.00 H new ATOM 0 HG11 VAL B 30 0.487 -1.734 7.438 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -0.960 -2.049 6.452 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -0.118 -0.487 6.322 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.392 -0.174 9.335 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.229 1.138 8.305 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -1.129 0.647 9.759 1.00 0.00 H new ATOM 1895 N ARG B 31 -4.239 -1.831 7.314 1.00 0.00 N ATOM 1896 CA ARG B 31 -5.044 -2.820 6.604 1.00 0.00 C ATOM 1897 C ARG B 31 -5.968 -2.136 5.598 1.00 0.00 C ATOM 1898 O ARG B 31 -6.284 -2.697 4.549 1.00 0.00 O ATOM 1899 CB ARG B 31 -5.872 -3.646 7.592 1.00 0.00 C ATOM 1900 CG ARG B 31 -6.614 -4.807 6.950 1.00 0.00 C ATOM 1901 CD ARG B 31 -7.510 -5.520 7.949 1.00 0.00 C ATOM 1902 NE ARG B 31 -8.599 -4.665 8.422 1.00 0.00 N ATOM 1903 CZ ARG B 31 -9.851 -5.083 8.601 1.00 0.00 C ATOM 1904 NH1 ARG B 31 -10.176 -6.351 8.386 1.00 0.00 N ATOM 1905 NH2 ARG B 31 -10.776 -4.232 9.009 1.00 0.00 N ATOM 0 H ARG B 31 -4.440 -1.760 8.311 1.00 0.00 H new ATOM 0 HA ARG B 31 -4.369 -3.486 6.066 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -5.213 -4.033 8.369 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -6.593 -2.992 8.082 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -7.216 -4.440 6.119 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -5.895 -5.514 6.536 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -7.927 -6.415 7.487 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -6.913 -5.849 8.800 1.00 0.00 H new ATOM 0 HE ARG B 31 -8.386 -3.689 8.627 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -9.465 -7.015 8.081 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -11.137 -6.662 8.526 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -10.530 -3.258 9.186 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -11.736 -4.549 9.147 1.00 0.00 H new ATOM 1919 N LYS B 32 -6.384 -0.917 5.927 1.00 0.00 N ATOM 1920 CA LYS B 32 -7.310 -0.153 5.098 1.00 0.00 C ATOM 1921 C LYS B 32 -6.772 0.042 3.683 1.00 0.00 C ATOM 1922 O LYS B 32 -7.474 -0.226 2.707 1.00 0.00 O ATOM 1923 CB LYS B 32 -7.592 1.201 5.755 1.00 0.00 C ATOM 1924 CG LYS B 32 -9.048 1.401 6.148 1.00 0.00 C ATOM 1925 CD LYS B 32 -9.612 0.183 6.865 1.00 0.00 C ATOM 1926 CE LYS B 32 -10.998 0.459 7.422 1.00 0.00 C ATOM 1927 NZ LYS B 32 -10.942 1.275 8.664 1.00 0.00 N ATOM 0 H LYS B 32 -6.089 -0.432 6.774 1.00 0.00 H new ATOM 0 HA LYS B 32 -8.239 -0.718 5.017 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -6.969 1.300 6.644 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -7.298 1.995 5.069 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -9.133 2.275 6.794 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -9.641 1.605 5.256 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -9.657 -0.659 6.174 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -8.943 -0.105 7.676 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -11.594 0.979 6.672 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -11.501 -0.485 7.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -11.658 2.028 8.617 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -11.132 0.668 9.487 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -9.998 1.700 8.758 1.00 0.00 H new ATOM 1941 N ILE B 33 -5.525 0.485 3.569 1.00 0.00 N ATOM 1942 CA ILE B 33 -4.924 0.710 2.257 1.00 0.00 C ATOM 1943 C ILE B 33 -4.598 -0.614 1.568 1.00 0.00 C ATOM 1944 O ILE B 33 -4.647 -0.719 0.342 1.00 0.00 O ATOM 1945 CB ILE B 33 -3.650 1.584 2.337 1.00 0.00 C ATOM 1946 CG1 ILE B 33 -2.648 0.999 3.335 1.00 0.00 C ATOM 1947 CG2 ILE B 33 -4.006 3.017 2.709 1.00 0.00 C ATOM 1948 CD1 ILE B 33 -1.354 1.780 3.435 1.00 0.00 C ATOM 0 H ILE B 33 -4.915 0.694 4.359 1.00 0.00 H new ATOM 0 HA ILE B 33 -5.664 1.250 1.666 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.181 1.591 1.353 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -3.113 0.958 4.320 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -2.420 -0.027 3.047 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -3.097 3.616 2.760 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -4.673 3.434 1.954 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -4.503 3.028 3.679 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -0.696 1.303 4.162 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -0.865 1.800 2.461 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -1.568 2.800 3.754 1.00 0.00 H new ATOM 1960 N ALA B 34 -4.292 -1.631 2.364 1.00 0.00 N ATOM 1961 CA ALA B 34 -3.971 -2.952 1.837 1.00 0.00 C ATOM 1962 C ALA B 34 -5.203 -3.619 1.228 1.00 0.00 C ATOM 1963 O ALA B 34 -5.104 -4.369 0.263 1.00 0.00 O ATOM 1964 CB ALA B 34 -3.380 -3.824 2.934 1.00 0.00 C ATOM 0 H ALA B 34 -4.259 -1.566 3.381 1.00 0.00 H new ATOM 0 HA ALA B 34 -3.232 -2.832 1.045 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -3.144 -4.808 2.529 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -2.470 -3.361 3.316 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -4.102 -3.928 3.744 1.00 0.00 H new ATOM 1970 N THR B 35 -6.364 -3.325 1.795 1.00 0.00 N ATOM 1971 CA THR B 35 -7.628 -3.894 1.333 1.00 0.00 C ATOM 1972 C THR B 35 -7.915 -3.530 -0.132 1.00 0.00 C ATOM 1973 O THR B 35 -8.579 -4.283 -0.853 1.00 0.00 O ATOM 1974 CB THR B 35 -8.788 -3.419 2.234 1.00 0.00 C ATOM 1975 OG1 THR B 35 -8.524 -3.781 3.595 1.00 0.00 O ATOM 1976 CG2 THR B 35 -10.115 -4.026 1.804 1.00 0.00 C ATOM 0 H THR B 35 -6.460 -2.688 2.586 1.00 0.00 H new ATOM 0 HA THR B 35 -7.543 -4.979 1.395 1.00 0.00 H new ATOM 0 HB THR B 35 -8.860 -2.335 2.140 1.00 0.00 H new ATOM 0 HG1 THR B 35 -7.889 -3.145 3.985 1.00 0.00 H new ATOM 0 HG21 THR B 35 -10.908 -3.669 2.461 1.00 0.00 H new ATOM 0 HG22 THR B 35 -10.334 -3.732 0.778 1.00 0.00 H new ATOM 0 HG23 THR B 35 -10.055 -5.113 1.865 1.00 0.00 H new ATOM 1984 N ALA B 36 -7.406 -2.383 -0.567 1.00 0.00 N ATOM 1985 CA ALA B 36 -7.679 -1.871 -1.909 1.00 0.00 C ATOM 1986 C ALA B 36 -7.185 -2.814 -3.012 1.00 0.00 C ATOM 1987 O ALA B 36 -7.825 -2.937 -4.058 1.00 0.00 O ATOM 1988 CB ALA B 36 -7.055 -0.493 -2.080 1.00 0.00 C ATOM 0 H ALA B 36 -6.798 -1.785 -0.007 1.00 0.00 H new ATOM 0 HA ALA B 36 -8.762 -1.800 -2.010 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -7.264 -0.121 -3.083 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -7.477 0.191 -1.344 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -5.977 -0.561 -1.936 1.00 0.00 H new ATOM 1994 N LEU B 37 -6.065 -3.494 -2.777 1.00 0.00 N ATOM 1995 CA LEU B 37 -5.469 -4.340 -3.804 1.00 0.00 C ATOM 1996 C LEU B 37 -6.347 -5.551 -4.106 1.00 0.00 C ATOM 1997 O LEU B 37 -6.278 -6.118 -5.194 1.00 0.00 O ATOM 1998 CB LEU B 37 -4.041 -4.761 -3.415 1.00 0.00 C ATOM 1999 CG LEU B 37 -3.885 -5.609 -2.142 1.00 0.00 C ATOM 2000 CD1 LEU B 37 -4.111 -7.088 -2.429 1.00 0.00 C ATOM 2001 CD2 LEU B 37 -2.509 -5.392 -1.528 1.00 0.00 C ATOM 0 H LEU B 37 -5.557 -3.476 -1.893 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.401 -3.753 -4.720 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -3.614 -5.319 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -3.442 -3.858 -3.296 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.645 -5.287 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -3.993 -7.659 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -5.118 -7.233 -2.820 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.383 -7.431 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.413 -5.999 -0.627 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.741 -5.682 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -2.387 -4.340 -1.271 1.00 0.00 H new ATOM 2013 N LEU B 38 -7.181 -5.937 -3.146 1.00 0.00 N ATOM 2014 CA LEU B 38 -8.092 -7.065 -3.332 1.00 0.00 C ATOM 2015 C LEU B 38 -9.120 -6.757 -4.420 1.00 0.00 C ATOM 2016 O LEU B 38 -9.653 -7.661 -5.062 1.00 0.00 O ATOM 2017 CB LEU B 38 -8.819 -7.421 -2.024 1.00 0.00 C ATOM 2018 CG LEU B 38 -7.987 -8.158 -0.962 1.00 0.00 C ATOM 2019 CD1 LEU B 38 -7.290 -9.367 -1.566 1.00 0.00 C ATOM 2020 CD2 LEU B 38 -6.978 -7.225 -0.306 1.00 0.00 C ATOM 0 H LEU B 38 -7.246 -5.488 -2.233 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.490 -7.920 -3.638 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -9.199 -6.500 -1.582 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -9.684 -8.037 -2.270 1.00 0.00 H new ATOM 0 HG LEU B 38 -8.670 -8.508 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.707 -9.873 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -8.035 -10.054 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -6.627 -9.042 -2.368 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -6.405 -7.775 0.440 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -6.302 -6.830 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.504 -6.401 0.176 1.00 0.00 H new ATOM 2032 N LYS B 39 -9.394 -5.474 -4.617 1.00 0.00 N ATOM 2033 CA LYS B 39 -10.384 -5.044 -5.582 1.00 0.00 C ATOM 2034 C LYS B 39 -9.741 -4.779 -6.937 1.00 0.00 C ATOM 2035 O LYS B 39 -10.365 -4.975 -7.979 1.00 0.00 O ATOM 2036 CB LYS B 39 -11.083 -3.786 -5.077 1.00 0.00 C ATOM 2037 CG LYS B 39 -11.893 -4.014 -3.813 1.00 0.00 C ATOM 2038 CD LYS B 39 -12.627 -2.755 -3.375 1.00 0.00 C ATOM 2039 CE LYS B 39 -13.419 -2.992 -2.096 1.00 0.00 C ATOM 2040 NZ LYS B 39 -14.358 -4.138 -2.230 1.00 0.00 N ATOM 0 H LYS B 39 -8.938 -4.712 -4.115 1.00 0.00 H new ATOM 0 HA LYS B 39 -11.119 -5.840 -5.704 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -10.336 -3.015 -4.887 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -11.741 -3.406 -5.858 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -12.614 -4.814 -3.983 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -11.231 -4.346 -3.013 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -11.910 -1.950 -3.217 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -13.301 -2.430 -4.168 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -12.731 -3.181 -1.272 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -13.979 -2.091 -1.843 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -15.049 -4.114 -1.453 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -14.858 -4.073 -3.140 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -13.825 -5.030 -2.191 1.00 0.00 H new ATOM 2054 N THR B 40 -8.491 -4.335 -6.918 1.00 0.00 N ATOM 2055 CA THR B 40 -7.784 -4.022 -8.143 1.00 0.00 C ATOM 2056 C THR B 40 -6.274 -4.049 -7.934 1.00 0.00 C ATOM 2057 O THR B 40 -5.655 -3.076 -7.512 1.00 0.00 O ATOM 2058 CB THR B 40 -8.235 -2.664 -8.739 1.00 0.00 C ATOM 2059 OG1 THR B 40 -7.374 -2.272 -9.817 1.00 0.00 O ATOM 2060 CG2 THR B 40 -8.275 -1.568 -7.679 1.00 0.00 C ATOM 0 H THR B 40 -7.950 -4.185 -6.066 1.00 0.00 H new ATOM 0 HA THR B 40 -8.039 -4.797 -8.865 1.00 0.00 H new ATOM 0 HB THR B 40 -9.246 -2.799 -9.122 1.00 0.00 H new ATOM 0 HG1 THR B 40 -7.781 -1.527 -10.307 1.00 0.00 H new ATOM 0 HG21 THR B 40 -8.596 -0.632 -8.136 1.00 0.00 H new ATOM 0 HG22 THR B 40 -8.977 -1.847 -6.893 1.00 0.00 H new ATOM 0 HG23 THR B 40 -7.281 -1.441 -7.250 1.00 0.00 H new ATOM 2068 N ALA B 41 -5.702 -5.211 -8.175 1.00 0.00 N ATOM 2069 CA ALA B 41 -4.252 -5.367 -8.219 1.00 0.00 C ATOM 2070 C ALA B 41 -3.855 -6.049 -9.518 1.00 0.00 C ATOM 2071 O ALA B 41 -2.698 -6.417 -9.727 1.00 0.00 O ATOM 2072 CB ALA B 41 -3.758 -6.163 -7.018 1.00 0.00 C ATOM 0 H ALA B 41 -6.220 -6.073 -8.346 1.00 0.00 H new ATOM 0 HA ALA B 41 -3.787 -4.382 -8.178 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -2.674 -6.267 -7.071 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -4.028 -5.641 -6.100 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.218 -7.151 -7.022 1.00 0.00 H new ATOM 2078 N ILE B 42 -4.832 -6.188 -10.401 1.00 0.00 N ATOM 2079 CA ILE B 42 -4.651 -6.916 -11.645 1.00 0.00 C ATOM 2080 C ILE B 42 -5.067 -6.056 -12.837 1.00 0.00 C ATOM 2081 O ILE B 42 -6.005 -5.266 -12.739 1.00 0.00 O ATOM 2082 CB ILE B 42 -5.478 -8.225 -11.643 1.00 0.00 C ATOM 2083 CG1 ILE B 42 -5.087 -9.112 -10.454 1.00 0.00 C ATOM 2084 CG2 ILE B 42 -5.293 -8.979 -12.950 1.00 0.00 C ATOM 2085 CD1 ILE B 42 -5.920 -10.371 -10.330 1.00 0.00 C ATOM 0 H ILE B 42 -5.767 -5.801 -10.276 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.593 -7.164 -11.733 1.00 0.00 H new ATOM 0 HB ILE B 42 -6.531 -7.961 -11.544 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -4.037 -9.390 -10.550 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -5.181 -8.534 -9.535 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -5.883 -9.896 -12.928 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -5.624 -8.355 -13.780 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -4.240 -9.228 -13.080 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -5.584 -10.946 -9.467 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -6.969 -10.102 -10.202 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -5.807 -10.972 -11.232 1.00 0.00 H new ATOM 2097 N GLU B 43 -4.361 -6.213 -13.947 1.00 0.00 N ATOM 2098 CA GLU B 43 -4.668 -5.480 -15.165 1.00 0.00 C ATOM 2099 C GLU B 43 -5.353 -6.408 -16.159 1.00 0.00 C ATOM 2100 O GLU B 43 -5.048 -7.604 -16.217 1.00 0.00 O ATOM 2101 CB GLU B 43 -3.380 -4.929 -15.780 1.00 0.00 C ATOM 2102 CG GLU B 43 -3.589 -3.860 -16.839 1.00 0.00 C ATOM 2103 CD GLU B 43 -3.790 -2.479 -16.246 1.00 0.00 C ATOM 2104 OE1 GLU B 43 -2.791 -1.871 -15.799 1.00 0.00 O ATOM 2105 OE2 GLU B 43 -4.936 -1.995 -16.221 1.00 0.00 O ATOM 0 H GLU B 43 -3.566 -6.847 -14.028 1.00 0.00 H new ATOM 0 HA GLU B 43 -5.333 -4.650 -14.926 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -2.761 -4.516 -14.984 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -2.822 -5.755 -16.222 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -2.727 -3.842 -17.506 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -4.457 -4.120 -17.445 1.00 0.00 H new ATOM 2112 N ILE B 44 -6.276 -5.866 -16.931 1.00 0.00 N ATOM 2113 CA ILE B 44 -6.941 -6.643 -17.966 1.00 0.00 C ATOM 2114 C ILE B 44 -6.551 -6.145 -19.348 1.00 0.00 C ATOM 2115 O ILE B 44 -6.916 -5.041 -19.763 1.00 0.00 O ATOM 2116 CB ILE B 44 -8.483 -6.619 -17.819 1.00 0.00 C ATOM 2117 CG1 ILE B 44 -8.913 -7.402 -16.578 1.00 0.00 C ATOM 2118 CG2 ILE B 44 -9.157 -7.197 -19.062 1.00 0.00 C ATOM 2119 CD1 ILE B 44 -8.610 -8.885 -16.672 1.00 0.00 C ATOM 0 H ILE B 44 -6.583 -4.896 -16.864 1.00 0.00 H new ATOM 0 HA ILE B 44 -6.610 -7.674 -17.845 1.00 0.00 H new ATOM 0 HB ILE B 44 -8.796 -5.581 -17.708 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -8.409 -6.990 -15.704 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -9.983 -7.266 -16.423 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -10.239 -7.170 -18.935 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -8.879 -6.606 -19.935 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -8.835 -8.228 -19.204 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -8.940 -9.382 -15.760 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -9.135 -9.310 -17.527 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -7.537 -9.030 -16.797 1.00 0.00 H new ATOM 2131 N VAL B 45 -5.812 -6.974 -20.056 1.00 0.00 N ATOM 2132 CA VAL B 45 -5.433 -6.673 -21.420 1.00 0.00 C ATOM 2133 C VAL B 45 -6.228 -7.544 -22.384 1.00 0.00 C ATOM 2134 O VAL B 45 -6.009 -8.751 -22.486 1.00 0.00 O ATOM 2135 CB VAL B 45 -3.915 -6.853 -21.655 1.00 0.00 C ATOM 2136 CG1 VAL B 45 -3.145 -5.709 -21.014 1.00 0.00 C ATOM 2137 CG2 VAL B 45 -3.426 -8.191 -21.111 1.00 0.00 C ATOM 0 H VAL B 45 -5.461 -7.866 -19.707 1.00 0.00 H new ATOM 0 HA VAL B 45 -5.664 -5.624 -21.604 1.00 0.00 H new ATOM 0 HB VAL B 45 -3.736 -6.843 -22.730 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -2.078 -5.847 -21.186 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -3.464 -4.764 -21.454 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -3.340 -5.695 -19.942 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -2.355 -8.288 -21.291 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -3.619 -8.241 -20.039 1.00 0.00 H new ATOM 0 HG23 VAL B 45 -3.953 -9.002 -21.613 1.00 0.00 H new ATOM 2147 N SER B 46 -7.185 -6.936 -23.056 1.00 0.00 N ATOM 2148 CA SER B 46 -8.010 -7.657 -24.002 1.00 0.00 C ATOM 2149 C SER B 46 -7.410 -7.551 -25.395 1.00 0.00 C ATOM 2150 O SER B 46 -6.874 -6.511 -25.777 1.00 0.00 O ATOM 2151 CB SER B 46 -9.447 -7.125 -23.972 1.00 0.00 C ATOM 2152 OG SER B 46 -10.254 -7.750 -24.958 1.00 0.00 O ATOM 0 H SER B 46 -7.410 -5.945 -22.964 1.00 0.00 H new ATOM 0 HA SER B 46 -8.041 -8.710 -23.722 1.00 0.00 H new ATOM 0 HB2 SER B 46 -9.879 -7.295 -22.986 1.00 0.00 H new ATOM 0 HB3 SER B 46 -9.441 -6.047 -24.135 1.00 0.00 H new ATOM 0 HG SER B 46 -11.164 -7.390 -24.912 1.00 0.00 H new ATOM 2158 N GLU B 47 -7.491 -8.638 -26.139 1.00 0.00 N ATOM 2159 CA GLU B 47 -6.879 -8.706 -27.455 1.00 0.00 C ATOM 2160 C GLU B 47 -7.684 -7.942 -28.495 1.00 0.00 C ATOM 2161 O GLU B 47 -8.741 -7.379 -28.202 1.00 0.00 O ATOM 2162 CB GLU B 47 -6.712 -10.155 -27.899 1.00 0.00 C ATOM 2163 CG GLU B 47 -5.698 -10.928 -27.081 1.00 0.00 C ATOM 2164 CD GLU B 47 -5.489 -12.330 -27.606 1.00 0.00 C ATOM 2165 OE1 GLU B 47 -4.713 -12.500 -28.568 1.00 0.00 O ATOM 2166 OE2 GLU B 47 -6.105 -13.269 -27.063 1.00 0.00 O ATOM 0 H GLU B 47 -7.976 -9.489 -25.854 1.00 0.00 H new ATOM 0 HA GLU B 47 -5.898 -8.238 -27.374 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -7.677 -10.659 -27.836 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -6.411 -10.173 -28.946 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.747 -10.395 -27.086 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -6.031 -10.976 -26.044 1.00 0.00 H new ATOM 2173 N GLU B 48 -7.167 -7.947 -29.715 1.00 0.00 N ATOM 2174 CA GLU B 48 -7.750 -7.207 -30.819 1.00 0.00 C ATOM 2175 C GLU B 48 -9.044 -7.864 -31.297 1.00 0.00 C ATOM 2176 O GLU B 48 -10.042 -7.187 -31.556 1.00 0.00 O ATOM 2177 CB GLU B 48 -6.724 -7.137 -31.949 1.00 0.00 C ATOM 2178 CG GLU B 48 -7.075 -6.183 -33.071 1.00 0.00 C ATOM 2179 CD GLU B 48 -5.968 -6.108 -34.098 1.00 0.00 C ATOM 2180 OE1 GLU B 48 -5.058 -5.267 -33.941 1.00 0.00 O ATOM 2181 OE2 GLU B 48 -5.992 -6.902 -35.059 1.00 0.00 O ATOM 0 H GLU B 48 -6.327 -8.468 -29.966 1.00 0.00 H new ATOM 0 HA GLU B 48 -8.005 -6.200 -30.490 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -5.762 -6.843 -31.529 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -6.597 -8.136 -32.367 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -7.998 -6.508 -33.552 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -7.261 -5.190 -32.662 1.00 0.00 H new ATOM 2188 N ASP B 49 -9.015 -9.184 -31.406 1.00 0.00 N ATOM 2189 CA ASP B 49 -10.188 -9.952 -31.824 1.00 0.00 C ATOM 2190 C ASP B 49 -10.447 -11.119 -30.869 1.00 0.00 C ATOM 2191 O ASP B 49 -11.569 -11.612 -30.775 1.00 0.00 O ATOM 2192 CB ASP B 49 -9.995 -10.469 -33.257 1.00 0.00 C ATOM 2193 CG ASP B 49 -11.173 -11.286 -33.760 1.00 0.00 C ATOM 2194 OD1 ASP B 49 -12.194 -10.686 -34.161 1.00 0.00 O ATOM 2195 OD2 ASP B 49 -11.071 -12.535 -33.781 1.00 0.00 O ATOM 0 H ASP B 49 -8.190 -9.751 -31.211 1.00 0.00 H new ATOM 0 HA ASP B 49 -11.057 -9.294 -31.797 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -9.837 -9.622 -33.924 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -9.093 -11.080 -33.298 1.00 0.00 H new ATOM 2200 N GLY B 50 -9.404 -11.546 -30.157 1.00 0.00 N ATOM 2201 CA GLY B 50 -9.525 -12.683 -29.256 1.00 0.00 C ATOM 2202 C GLY B 50 -10.393 -12.403 -28.038 1.00 0.00 C ATOM 2203 O GLY B 50 -11.624 -12.423 -28.122 1.00 0.00 O ATOM 0 H GLY B 50 -8.476 -11.124 -30.188 1.00 0.00 H new ATOM 0 HA2 GLY B 50 -9.943 -13.528 -29.804 1.00 0.00 H new ATOM 0 HA3 GLY B 50 -8.531 -12.980 -28.923 1.00 0.00 H new ATOM 2207 N GLY B 51 -9.760 -12.160 -26.898 1.00 0.00 N ATOM 2208 CA GLY B 51 -10.498 -11.903 -25.685 1.00 0.00 C ATOM 2209 C GLY B 51 -9.636 -11.259 -24.624 1.00 0.00 C ATOM 2210 O GLY B 51 -8.512 -10.836 -24.898 1.00 0.00 O ATOM 0 H GLY B 51 -8.745 -12.137 -26.795 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -11.345 -11.254 -25.907 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -10.905 -12.839 -25.303 1.00 0.00 H new ATOM 2214 N ALA B 52 -10.159 -11.203 -23.416 1.00 0.00 N ATOM 2215 CA ALA B 52 -9.474 -10.566 -22.301 1.00 0.00 C ATOM 2216 C ALA B 52 -8.402 -11.479 -21.725 1.00 0.00 C ATOM 2217 O ALA B 52 -8.438 -12.690 -21.918 1.00 0.00 O ATOM 2218 CB ALA B 52 -10.473 -10.177 -21.223 1.00 0.00 C ATOM 0 H ALA B 52 -11.069 -11.596 -23.176 1.00 0.00 H new ATOM 0 HA ALA B 52 -8.986 -9.665 -22.672 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -9.948 -9.702 -20.395 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -11.203 -9.481 -21.637 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -10.986 -11.069 -20.863 1.00 0.00 H new ATOM 2224 N HIS B 53 -7.438 -10.890 -21.032 1.00 0.00 N ATOM 2225 CA HIS B 53 -6.370 -11.654 -20.398 1.00 0.00 C ATOM 2226 C HIS B 53 -6.051 -11.070 -19.031 1.00 0.00 C ATOM 2227 O HIS B 53 -5.990 -9.849 -18.869 1.00 0.00 O ATOM 2228 CB HIS B 53 -5.107 -11.675 -21.267 1.00 0.00 C ATOM 2229 CG HIS B 53 -5.243 -12.514 -22.498 1.00 0.00 C ATOM 2230 ND1 HIS B 53 -4.924 -13.853 -22.529 1.00 0.00 N ATOM 2231 CD2 HIS B 53 -5.683 -12.205 -23.739 1.00 0.00 C ATOM 2232 CE1 HIS B 53 -5.161 -14.330 -23.734 1.00 0.00 C ATOM 2233 NE2 HIS B 53 -5.622 -13.353 -24.486 1.00 0.00 N ATOM 0 H HIS B 53 -7.372 -9.882 -20.893 1.00 0.00 H new ATOM 0 HA HIS B 53 -6.716 -12.681 -20.280 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -4.859 -10.654 -21.558 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -4.273 -12.048 -20.673 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -6.019 -11.236 -24.078 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -5.004 -15.350 -24.051 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -5.891 -13.437 -25.466 1.00 0.00 H new ATOM 2242 N ASN B 54 -5.856 -11.943 -18.054 1.00 0.00 N ATOM 2243 CA ASN B 54 -5.570 -11.520 -16.689 1.00 0.00 C ATOM 2244 C ASN B 54 -4.064 -11.395 -16.490 1.00 0.00 C ATOM 2245 O ASN B 54 -3.332 -12.378 -16.621 1.00 0.00 O ATOM 2246 CB ASN B 54 -6.154 -12.532 -15.697 1.00 0.00 C ATOM 2247 CG ASN B 54 -6.137 -12.033 -14.267 1.00 0.00 C ATOM 2248 OD1 ASN B 54 -5.144 -12.168 -13.556 1.00 0.00 O ATOM 2249 ND2 ASN B 54 -7.251 -11.466 -13.825 1.00 0.00 N ATOM 0 H ASN B 54 -5.891 -12.954 -18.181 1.00 0.00 H new ATOM 0 HA ASN B 54 -6.030 -10.548 -16.511 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -7.180 -12.763 -15.984 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -5.588 -13.462 -15.759 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -7.303 -11.125 -12.865 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -8.056 -11.371 -14.445 1.00 0.00 H new ATOM 2256 N GLN B 55 -3.599 -10.186 -16.202 1.00 0.00 N ATOM 2257 CA GLN B 55 -2.173 -9.949 -16.039 1.00 0.00 C ATOM 2258 C GLN B 55 -1.856 -9.336 -14.680 1.00 0.00 C ATOM 2259 O GLN B 55 -2.438 -8.322 -14.290 1.00 0.00 O ATOM 2260 CB GLN B 55 -1.655 -9.028 -17.146 1.00 0.00 C ATOM 2261 CG GLN B 55 -0.163 -8.738 -17.046 1.00 0.00 C ATOM 2262 CD GLN B 55 0.316 -7.722 -18.067 1.00 0.00 C ATOM 2263 OE1 GLN B 55 1.260 -6.973 -17.817 1.00 0.00 O ATOM 2264 NE2 GLN B 55 -0.326 -7.689 -19.226 1.00 0.00 N ATOM 0 H GLN B 55 -4.185 -9.360 -16.077 1.00 0.00 H new ATOM 0 HA GLN B 55 -1.674 -10.916 -16.104 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -1.865 -9.483 -18.114 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -2.203 -8.087 -17.111 1.00 0.00 H new ATOM 0 HG2 GLN B 55 0.064 -8.372 -16.044 1.00 0.00 H new ATOM 0 HG3 GLN B 55 0.391 -9.667 -17.179 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -1.104 -8.326 -19.396 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -0.042 -7.027 -19.948 1.00 0.00 H new ATOM 2273 N CYS B 56 -0.930 -9.958 -13.965 1.00 0.00 N ATOM 2274 CA CYS B 56 -0.393 -9.377 -12.748 1.00 0.00 C ATOM 2275 C CYS B 56 0.482 -8.186 -13.120 1.00 0.00 C ATOM 2276 O CYS B 56 1.644 -8.350 -13.497 1.00 0.00 O ATOM 2277 CB CYS B 56 0.414 -10.417 -11.970 1.00 0.00 C ATOM 2278 SG CYS B 56 -0.496 -11.936 -11.611 1.00 0.00 S ATOM 0 H CYS B 56 -0.536 -10.867 -14.209 1.00 0.00 H new ATOM 0 HA CYS B 56 -1.210 -9.043 -12.108 1.00 0.00 H new ATOM 0 HB2 CYS B 56 1.309 -10.668 -12.540 1.00 0.00 H new ATOM 0 HB3 CYS B 56 0.747 -9.975 -11.031 1.00 0.00 H new ATOM 0 HG CYS B 56 0.269 -12.755 -10.953 1.00 0.00 H new ATOM 2284 N LYS B 57 -0.089 -6.993 -13.019 1.00 0.00 N ATOM 2285 CA LYS B 57 0.513 -5.785 -13.577 1.00 0.00 C ATOM 2286 C LYS B 57 1.770 -5.387 -12.805 1.00 0.00 C ATOM 2287 O LYS B 57 2.640 -4.696 -13.328 1.00 0.00 O ATOM 2288 CB LYS B 57 -0.526 -4.655 -13.553 1.00 0.00 C ATOM 2289 CG LYS B 57 -0.308 -3.551 -14.583 1.00 0.00 C ATOM 2290 CD LYS B 57 0.700 -2.513 -14.120 1.00 0.00 C ATOM 2291 CE LYS B 57 0.766 -1.338 -15.082 1.00 0.00 C ATOM 2292 NZ LYS B 57 -0.552 -0.659 -15.215 1.00 0.00 N ATOM 0 H LYS B 57 -0.980 -6.833 -12.550 1.00 0.00 H new ATOM 0 HA LYS B 57 0.816 -5.978 -14.606 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -1.514 -5.088 -13.711 1.00 0.00 H new ATOM 0 HB3 LYS B 57 -0.530 -4.207 -12.559 1.00 0.00 H new ATOM 0 HG2 LYS B 57 0.035 -3.994 -15.518 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -1.259 -3.061 -14.792 1.00 0.00 H new ATOM 0 HD2 LYS B 57 0.428 -2.157 -13.126 1.00 0.00 H new ATOM 0 HD3 LYS B 57 1.685 -2.972 -14.036 1.00 0.00 H new ATOM 0 HE2 LYS B 57 1.510 -0.623 -14.732 1.00 0.00 H new ATOM 0 HE3 LYS B 57 1.096 -1.687 -16.061 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -0.418 0.276 -15.650 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -1.179 -1.233 -15.814 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -0.981 -0.545 -14.274 1.00 0.00 H new ATOM 2306 N LEU B 58 1.875 -5.858 -11.575 1.00 0.00 N ATOM 2307 CA LEU B 58 2.964 -5.450 -10.700 1.00 0.00 C ATOM 2308 C LEU B 58 4.219 -6.302 -10.916 1.00 0.00 C ATOM 2309 O LEU B 58 5.189 -6.189 -10.163 1.00 0.00 O ATOM 2310 CB LEU B 58 2.514 -5.538 -9.243 1.00 0.00 C ATOM 2311 CG LEU B 58 3.102 -4.466 -8.326 1.00 0.00 C ATOM 2312 CD1 LEU B 58 2.641 -3.087 -8.772 1.00 0.00 C ATOM 2313 CD2 LEU B 58 2.708 -4.723 -6.881 1.00 0.00 C ATOM 0 H LEU B 58 1.222 -6.522 -11.159 1.00 0.00 H new ATOM 0 HA LEU B 58 3.222 -4.419 -10.944 1.00 0.00 H new ATOM 0 HB2 LEU B 58 1.427 -5.470 -9.208 1.00 0.00 H new ATOM 0 HB3 LEU B 58 2.784 -6.519 -8.852 1.00 0.00 H new ATOM 0 HG LEU B 58 4.189 -4.508 -8.392 1.00 0.00 H new ATOM 0 HD11 LEU B 58 3.065 -2.330 -8.112 1.00 0.00 H new ATOM 0 HD12 LEU B 58 2.974 -2.905 -9.794 1.00 0.00 H new ATOM 0 HD13 LEU B 58 1.553 -3.036 -8.730 1.00 0.00 H new ATOM 0 HD21 LEU B 58 3.136 -3.949 -6.244 1.00 0.00 H new ATOM 0 HD22 LEU B 58 1.622 -4.707 -6.792 1.00 0.00 H new ATOM 0 HD23 LEU B 58 3.083 -5.698 -6.570 1.00 0.00 H new ATOM 2325 N CYS B 59 4.207 -7.145 -11.944 1.00 0.00 N ATOM 2326 CA CYS B 59 5.345 -8.006 -12.228 1.00 0.00 C ATOM 2327 C CYS B 59 5.400 -8.363 -13.708 1.00 0.00 C ATOM 2328 O CYS B 59 6.464 -8.340 -14.330 1.00 0.00 O ATOM 2329 CB CYS B 59 5.262 -9.282 -11.383 1.00 0.00 C ATOM 2330 SG CYS B 59 6.663 -10.406 -11.593 1.00 0.00 S ATOM 0 H CYS B 59 3.425 -7.249 -12.590 1.00 0.00 H new ATOM 0 HA CYS B 59 6.256 -7.465 -11.972 1.00 0.00 H new ATOM 0 HB2 CYS B 59 5.189 -9.003 -10.332 1.00 0.00 H new ATOM 0 HB3 CYS B 59 4.344 -9.813 -11.637 1.00 0.00 H new ATOM 0 HG CYS B 59 6.499 -11.450 -10.836 1.00 0.00 H new ATOM 2336 N GLY B 60 4.246 -8.676 -14.273 1.00 0.00 N ATOM 2337 CA GLY B 60 4.196 -9.120 -15.645 1.00 0.00 C ATOM 2338 C GLY B 60 4.007 -10.620 -15.734 1.00 0.00 C ATOM 2339 O GLY B 60 4.869 -11.337 -16.246 1.00 0.00 O ATOM 0 H GLY B 60 3.342 -8.630 -13.803 1.00 0.00 H new ATOM 0 HA2 GLY B 60 3.379 -8.617 -16.162 1.00 0.00 H new ATOM 0 HA3 GLY B 60 5.117 -8.837 -16.154 1.00 0.00 H new ATOM 2343 N ALA B 61 2.894 -11.099 -15.203 1.00 0.00 N ATOM 2344 CA ALA B 61 2.574 -12.519 -15.248 1.00 0.00 C ATOM 2345 C ALA B 61 1.155 -12.714 -15.753 1.00 0.00 C ATOM 2346 O ALA B 61 0.226 -12.065 -15.271 1.00 0.00 O ATOM 2347 CB ALA B 61 2.748 -13.145 -13.873 1.00 0.00 C ATOM 0 H ALA B 61 2.194 -10.524 -14.734 1.00 0.00 H new ATOM 0 HA ALA B 61 3.259 -13.015 -15.936 1.00 0.00 H new ATOM 0 HB1 ALA B 61 2.505 -14.206 -13.923 1.00 0.00 H new ATOM 0 HB2 ALA B 61 3.781 -13.024 -13.546 1.00 0.00 H new ATOM 0 HB3 ALA B 61 2.083 -12.654 -13.163 1.00 0.00 H new ATOM 2353 N SER B 62 0.996 -13.596 -16.723 1.00 0.00 N ATOM 2354 CA SER B 62 -0.304 -13.840 -17.318 1.00 0.00 C ATOM 2355 C SER B 62 -0.915 -15.128 -16.774 1.00 0.00 C ATOM 2356 O SER B 62 -0.235 -16.151 -16.644 1.00 0.00 O ATOM 2357 CB SER B 62 -0.177 -13.921 -18.841 1.00 0.00 C ATOM 2358 OG SER B 62 0.437 -12.755 -19.366 1.00 0.00 O ATOM 0 H SER B 62 1.753 -14.156 -17.116 1.00 0.00 H new ATOM 0 HA SER B 62 -0.962 -13.011 -17.058 1.00 0.00 H new ATOM 0 HB2 SER B 62 0.409 -14.798 -19.114 1.00 0.00 H new ATOM 0 HB3 SER B 62 -1.164 -14.047 -19.285 1.00 0.00 H new ATOM 0 HG SER B 62 0.508 -12.833 -20.340 1.00 0.00 H new ATOM 2364 N VAL B 63 -2.195 -15.063 -16.449 1.00 0.00 N ATOM 2365 CA VAL B 63 -2.930 -16.220 -15.965 1.00 0.00 C ATOM 2366 C VAL B 63 -4.321 -16.251 -16.601 1.00 0.00 C ATOM 2367 O VAL B 63 -4.949 -15.206 -16.774 1.00 0.00 O ATOM 2368 CB VAL B 63 -3.030 -16.209 -14.414 1.00 0.00 C ATOM 2369 CG1 VAL B 63 -3.703 -14.942 -13.914 1.00 0.00 C ATOM 2370 CG2 VAL B 63 -3.756 -17.440 -13.889 1.00 0.00 C ATOM 0 H VAL B 63 -2.752 -14.211 -16.513 1.00 0.00 H new ATOM 0 HA VAL B 63 -2.390 -17.122 -16.252 1.00 0.00 H new ATOM 0 HB VAL B 63 -2.011 -16.231 -14.028 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -3.758 -14.964 -12.826 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -3.125 -14.074 -14.230 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -4.710 -14.878 -14.327 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -3.806 -17.396 -12.801 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -4.766 -17.469 -14.298 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -3.216 -18.337 -14.192 1.00 0.00 H new ATOM 2380 N PRO B 64 -4.790 -17.440 -17.024 1.00 0.00 N ATOM 2381 CA PRO B 64 -6.124 -17.604 -17.615 1.00 0.00 C ATOM 2382 C PRO B 64 -7.229 -16.975 -16.770 1.00 0.00 C ATOM 2383 O PRO B 64 -7.300 -17.178 -15.556 1.00 0.00 O ATOM 2384 CB PRO B 64 -6.303 -19.120 -17.675 1.00 0.00 C ATOM 2385 CG PRO B 64 -4.920 -19.658 -17.771 1.00 0.00 C ATOM 2386 CD PRO B 64 -4.049 -18.716 -16.986 1.00 0.00 C ATOM 0 HA PRO B 64 -6.195 -17.109 -18.583 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -6.813 -19.494 -16.787 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -6.903 -19.414 -18.536 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -4.866 -20.668 -17.365 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -4.595 -19.714 -18.810 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -3.903 -19.064 -15.963 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -3.060 -18.618 -17.434 1.00 0.00 H new ATOM 2394 N TRP B 65 -8.090 -16.207 -17.426 1.00 0.00 N ATOM 2395 CA TRP B 65 -9.196 -15.554 -16.753 1.00 0.00 C ATOM 2396 C TRP B 65 -10.274 -16.578 -16.392 1.00 0.00 C ATOM 2397 O TRP B 65 -10.266 -17.700 -16.904 1.00 0.00 O ATOM 2398 CB TRP B 65 -9.763 -14.408 -17.619 1.00 0.00 C ATOM 2399 CG TRP B 65 -10.270 -14.822 -18.976 1.00 0.00 C ATOM 2400 CD1 TRP B 65 -11.573 -14.850 -19.381 1.00 0.00 C ATOM 2401 CD2 TRP B 65 -9.493 -15.239 -20.110 1.00 0.00 C ATOM 2402 NE1 TRP B 65 -11.658 -15.275 -20.681 1.00 0.00 N ATOM 2403 CE2 TRP B 65 -10.398 -15.518 -21.153 1.00 0.00 C ATOM 2404 CE3 TRP B 65 -8.125 -15.409 -20.347 1.00 0.00 C ATOM 2405 CZ2 TRP B 65 -9.978 -15.959 -22.405 1.00 0.00 C ATOM 2406 CZ3 TRP B 65 -7.712 -15.842 -21.590 1.00 0.00 C ATOM 2407 CH2 TRP B 65 -8.635 -16.113 -22.606 1.00 0.00 C ATOM 0 H TRP B 65 -8.039 -16.023 -18.428 1.00 0.00 H new ATOM 0 HA TRP B 65 -8.833 -15.110 -15.826 1.00 0.00 H new ATOM 0 HB2 TRP B 65 -10.578 -13.931 -17.074 1.00 0.00 H new ATOM 0 HB3 TRP B 65 -8.985 -13.656 -17.753 1.00 0.00 H new ATOM 0 HD1 TRP B 65 -12.417 -14.576 -18.765 1.00 0.00 H new ATOM 0 HE1 TRP B 65 -12.522 -15.391 -21.211 1.00 0.00 H new ATOM 0 HE3 TRP B 65 -7.404 -15.205 -19.570 1.00 0.00 H new ATOM 0 HZ2 TRP B 65 -10.689 -16.172 -23.190 1.00 0.00 H new ATOM 0 HZ3 TRP B 65 -6.658 -15.974 -21.782 1.00 0.00 H new ATOM 0 HH2 TRP B 65 -8.279 -16.451 -23.568 1.00 0.00 H new ATOM 2418 N LEU B 66 -11.187 -16.180 -15.502 1.00 0.00 N ATOM 2419 CA LEU B 66 -12.184 -17.089 -14.921 1.00 0.00 C ATOM 2420 C LEU B 66 -11.518 -18.069 -13.954 1.00 0.00 C ATOM 2421 O LEU B 66 -12.071 -19.122 -13.632 1.00 0.00 O ATOM 2422 CB LEU B 66 -12.976 -17.846 -16.001 1.00 0.00 C ATOM 2423 CG LEU B 66 -14.271 -17.170 -16.472 1.00 0.00 C ATOM 2424 CD1 LEU B 66 -13.984 -15.800 -17.066 1.00 0.00 C ATOM 2425 CD2 LEU B 66 -14.991 -18.051 -17.483 1.00 0.00 C ATOM 0 H LEU B 66 -11.258 -15.221 -15.163 1.00 0.00 H new ATOM 0 HA LEU B 66 -12.897 -16.478 -14.368 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -12.328 -17.992 -16.866 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -13.223 -18.836 -15.618 1.00 0.00 H new ATOM 0 HG LEU B 66 -14.919 -17.033 -15.606 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -14.918 -15.342 -17.392 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -13.514 -15.168 -16.313 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -13.315 -15.907 -17.920 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -15.907 -17.558 -17.808 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -14.345 -18.219 -18.344 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -15.237 -19.007 -17.022 1.00 0.00 H new ATOM 2437 N GLN B 67 -10.332 -17.698 -13.488 1.00 0.00 N ATOM 2438 CA GLN B 67 -9.620 -18.450 -12.468 1.00 0.00 C ATOM 2439 C GLN B 67 -9.372 -17.528 -11.275 1.00 0.00 C ATOM 2440 O GLN B 67 -9.466 -16.309 -11.415 1.00 0.00 O ATOM 2441 CB GLN B 67 -8.298 -18.990 -13.032 1.00 0.00 C ATOM 2442 CG GLN B 67 -7.598 -19.986 -12.124 1.00 0.00 C ATOM 2443 CD GLN B 67 -8.452 -21.202 -11.846 1.00 0.00 C ATOM 2444 OE1 GLN B 67 -9.230 -21.226 -10.891 1.00 0.00 O ATOM 2445 NE2 GLN B 67 -8.325 -22.211 -12.687 1.00 0.00 N ATOM 0 H GLN B 67 -9.838 -16.865 -13.809 1.00 0.00 H new ATOM 0 HA GLN B 67 -10.214 -19.306 -12.147 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -8.493 -19.465 -13.993 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -7.627 -18.152 -13.221 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -6.661 -20.299 -12.585 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -7.343 -19.500 -11.182 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -7.668 -22.147 -13.464 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -8.884 -23.055 -12.560 1.00 0.00 H new ATOM 2454 N THR B 68 -9.071 -18.094 -10.109 1.00 0.00 N ATOM 2455 CA THR B 68 -8.912 -17.289 -8.903 1.00 0.00 C ATOM 2456 C THR B 68 -7.588 -16.515 -8.903 1.00 0.00 C ATOM 2457 O THR B 68 -7.480 -15.470 -8.260 1.00 0.00 O ATOM 2458 CB THR B 68 -9.030 -18.143 -7.619 1.00 0.00 C ATOM 2459 OG1 THR B 68 -8.927 -17.307 -6.459 1.00 0.00 O ATOM 2460 CG2 THR B 68 -7.956 -19.219 -7.562 1.00 0.00 C ATOM 0 H THR B 68 -8.934 -19.096 -9.975 1.00 0.00 H new ATOM 0 HA THR B 68 -9.729 -16.567 -8.907 1.00 0.00 H new ATOM 0 HB THR B 68 -10.004 -18.631 -7.638 1.00 0.00 H new ATOM 0 HG1 THR B 68 -9.004 -17.857 -5.652 1.00 0.00 H new ATOM 0 HG21 THR B 68 -8.070 -19.799 -6.646 1.00 0.00 H new ATOM 0 HG22 THR B 68 -8.056 -19.879 -8.424 1.00 0.00 H new ATOM 0 HG23 THR B 68 -6.971 -18.751 -7.575 1.00 0.00 H new ATOM 2468 N GLY B 69 -6.588 -17.029 -9.618 1.00 0.00 N ATOM 2469 CA GLY B 69 -5.324 -16.321 -9.742 1.00 0.00 C ATOM 2470 C GLY B 69 -4.493 -16.373 -8.473 1.00 0.00 C ATOM 2471 O GLY B 69 -4.856 -17.070 -7.523 1.00 0.00 O ATOM 0 H GLY B 69 -6.631 -17.920 -10.112 1.00 0.00 H new ATOM 0 HA2 GLY B 69 -4.751 -16.751 -10.564 1.00 0.00 H new ATOM 0 HA3 GLY B 69 -5.520 -15.280 -10.000 1.00 0.00 H new ATOM 2543 N HIS B 74 4.502 -15.800 -8.364 1.00 0.00 N ATOM 2544 CA HIS B 74 4.738 -14.407 -8.702 1.00 0.00 C ATOM 2545 C HIS B 74 6.085 -13.947 -8.159 1.00 0.00 C ATOM 2546 O HIS B 74 6.843 -14.741 -7.603 1.00 0.00 O ATOM 2547 CB HIS B 74 3.620 -13.560 -8.077 1.00 0.00 C ATOM 2548 CG HIS B 74 3.460 -13.813 -6.600 1.00 0.00 C ATOM 2549 ND1 HIS B 74 2.415 -14.533 -6.060 1.00 0.00 N ATOM 2550 CD2 HIS B 74 4.260 -13.483 -5.560 1.00 0.00 C ATOM 2551 CE1 HIS B 74 2.585 -14.631 -4.750 1.00 0.00 C ATOM 2552 NE2 HIS B 74 3.701 -14.005 -4.422 1.00 0.00 N ATOM 0 HA HIS B 74 4.745 -14.292 -9.786 1.00 0.00 H new ATOM 0 HB2 HIS B 74 3.835 -12.504 -8.240 1.00 0.00 H new ATOM 0 HB3 HIS B 74 2.679 -13.776 -8.583 1.00 0.00 H new ATOM 0 HD2 HIS B 74 5.174 -12.911 -5.616 1.00 0.00 H new ATOM 0 HE1 HIS B 74 1.922 -15.138 -4.065 1.00 0.00 H new ATOM 0 HE2 HIS B 74 4.083 -13.924 -3.480 1.00 0.00 H new ATOM 2561 N ALA B 75 6.369 -12.664 -8.315 1.00 0.00 N ATOM 2562 CA ALA B 75 7.497 -12.056 -7.642 1.00 0.00 C ATOM 2563 C ALA B 75 7.079 -11.654 -6.236 1.00 0.00 C ATOM 2564 O ALA B 75 6.202 -10.808 -6.064 1.00 0.00 O ATOM 2565 CB ALA B 75 7.999 -10.855 -8.417 1.00 0.00 C ATOM 0 H ALA B 75 5.832 -12.026 -8.903 1.00 0.00 H new ATOM 0 HA ALA B 75 8.314 -12.776 -7.583 1.00 0.00 H new ATOM 0 HB1 ALA B 75 8.847 -10.413 -7.894 1.00 0.00 H new ATOM 0 HB2 ALA B 75 8.311 -11.169 -9.413 1.00 0.00 H new ATOM 0 HB3 ALA B 75 7.201 -10.118 -8.502 1.00 0.00 H new ATOM 2571 N ASP B 76 7.678 -12.279 -5.234 1.00 0.00 N ATOM 2572 CA ASP B 76 7.308 -12.027 -3.846 1.00 0.00 C ATOM 2573 C ASP B 76 7.802 -10.657 -3.394 1.00 0.00 C ATOM 2574 O ASP B 76 7.455 -10.181 -2.314 1.00 0.00 O ATOM 2575 CB ASP B 76 7.859 -13.128 -2.941 1.00 0.00 C ATOM 2576 CG ASP B 76 7.200 -14.472 -3.197 1.00 0.00 C ATOM 2577 OD1 ASP B 76 5.964 -14.583 -3.025 1.00 0.00 O ATOM 2578 OD2 ASP B 76 7.916 -15.425 -3.583 1.00 0.00 O ATOM 0 H ASP B 76 8.423 -12.965 -5.354 1.00 0.00 H new ATOM 0 HA ASP B 76 6.220 -12.033 -3.773 1.00 0.00 H new ATOM 0 HB2 ASP B 76 8.934 -13.218 -3.096 1.00 0.00 H new ATOM 0 HB3 ASP B 76 7.710 -12.846 -1.899 1.00 0.00 H new ATOM 2583 N ASP B 77 8.614 -10.032 -4.242 1.00 0.00 N ATOM 2584 CA ASP B 77 9.093 -8.672 -4.009 1.00 0.00 C ATOM 2585 C ASP B 77 7.954 -7.666 -4.119 1.00 0.00 C ATOM 2586 O ASP B 77 8.039 -6.558 -3.589 1.00 0.00 O ATOM 2587 CB ASP B 77 10.176 -8.300 -5.026 1.00 0.00 C ATOM 2588 CG ASP B 77 11.456 -9.089 -4.855 1.00 0.00 C ATOM 2589 OD1 ASP B 77 11.471 -10.291 -5.198 1.00 0.00 O ATOM 2590 OD2 ASP B 77 12.466 -8.497 -4.416 1.00 0.00 O ATOM 0 H ASP B 77 8.957 -10.451 -5.106 1.00 0.00 H new ATOM 0 HA ASP B 77 9.507 -8.641 -3.001 1.00 0.00 H new ATOM 0 HB2 ASP B 77 9.790 -8.461 -6.032 1.00 0.00 H new ATOM 0 HB3 ASP B 77 10.398 -7.237 -4.937 1.00 0.00 H new ATOM 2595 N CYS B 78 6.896 -8.054 -4.824 1.00 0.00 N ATOM 2596 CA CYS B 78 5.758 -7.176 -5.045 1.00 0.00 C ATOM 2597 C CYS B 78 5.053 -6.857 -3.730 1.00 0.00 C ATOM 2598 O CYS B 78 4.686 -7.756 -2.976 1.00 0.00 O ATOM 2599 CB CYS B 78 4.778 -7.820 -6.024 1.00 0.00 C ATOM 2600 SG CYS B 78 5.486 -8.164 -7.653 1.00 0.00 S ATOM 0 H CYS B 78 6.805 -8.975 -5.253 1.00 0.00 H new ATOM 0 HA CYS B 78 6.125 -6.243 -5.472 1.00 0.00 H new ATOM 0 HB2 CYS B 78 4.411 -8.752 -5.594 1.00 0.00 H new ATOM 0 HB3 CYS B 78 3.916 -7.163 -6.145 1.00 0.00 H new ATOM 0 HG CYS B 78 5.219 -7.179 -8.459 1.00 0.00 H new ATOM 2606 N PRO B 79 4.858 -5.560 -3.447 1.00 0.00 N ATOM 2607 CA PRO B 79 4.213 -5.079 -2.211 1.00 0.00 C ATOM 2608 C PRO B 79 2.854 -5.725 -1.934 1.00 0.00 C ATOM 2609 O PRO B 79 2.416 -5.783 -0.787 1.00 0.00 O ATOM 2610 CB PRO B 79 4.055 -3.581 -2.465 1.00 0.00 C ATOM 2611 CG PRO B 79 5.171 -3.252 -3.390 1.00 0.00 C ATOM 2612 CD PRO B 79 5.293 -4.439 -4.301 1.00 0.00 C ATOM 0 HA PRO B 79 4.806 -5.327 -1.331 1.00 0.00 H new ATOM 0 HB2 PRO B 79 3.087 -3.352 -2.910 1.00 0.00 H new ATOM 0 HB3 PRO B 79 4.123 -3.010 -1.539 1.00 0.00 H new ATOM 0 HG2 PRO B 79 4.960 -2.343 -3.954 1.00 0.00 H new ATOM 0 HG3 PRO B 79 6.098 -3.079 -2.843 1.00 0.00 H new ATOM 0 HD2 PRO B 79 4.662 -4.336 -5.184 1.00 0.00 H new ATOM 0 HD3 PRO B 79 6.316 -4.574 -4.654 1.00 0.00 H new ATOM 2620 N VAL B 80 2.195 -6.217 -2.975 1.00 0.00 N ATOM 2621 CA VAL B 80 0.920 -6.910 -2.812 1.00 0.00 C ATOM 2622 C VAL B 80 1.098 -8.158 -1.941 1.00 0.00 C ATOM 2623 O VAL B 80 0.224 -8.509 -1.148 1.00 0.00 O ATOM 2624 CB VAL B 80 0.316 -7.311 -4.180 1.00 0.00 C ATOM 2625 CG1 VAL B 80 -0.942 -8.158 -4.007 1.00 0.00 C ATOM 2626 CG2 VAL B 80 0.008 -6.070 -5.013 1.00 0.00 C ATOM 0 H VAL B 80 2.520 -6.150 -3.940 1.00 0.00 H new ATOM 0 HA VAL B 80 0.232 -6.222 -2.322 1.00 0.00 H new ATOM 0 HB VAL B 80 1.057 -7.914 -4.705 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -1.340 -8.422 -4.987 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -0.696 -9.067 -3.458 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -1.689 -7.590 -3.452 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -0.416 -6.371 -5.971 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -0.707 -5.443 -4.481 1.00 0.00 H new ATOM 0 HG23 VAL B 80 0.927 -5.509 -5.183 1.00 0.00 H new ATOM 2636 N VAL B 81 2.255 -8.794 -2.070 1.00 0.00 N ATOM 2637 CA VAL B 81 2.540 -10.029 -1.352 1.00 0.00 C ATOM 2638 C VAL B 81 2.738 -9.764 0.137 1.00 0.00 C ATOM 2639 O VAL B 81 2.176 -10.461 0.980 1.00 0.00 O ATOM 2640 CB VAL B 81 3.793 -10.723 -1.922 1.00 0.00 C ATOM 2641 CG1 VAL B 81 4.007 -12.082 -1.270 1.00 0.00 C ATOM 2642 CG2 VAL B 81 3.675 -10.858 -3.429 1.00 0.00 C ATOM 0 H VAL B 81 3.015 -8.472 -2.669 1.00 0.00 H new ATOM 0 HA VAL B 81 1.680 -10.686 -1.483 1.00 0.00 H new ATOM 0 HB VAL B 81 4.663 -10.107 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.897 -12.551 -1.690 1.00 0.00 H new ATOM 0 HG12 VAL B 81 4.137 -11.954 -0.195 1.00 0.00 H new ATOM 0 HG13 VAL B 81 3.140 -12.716 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL B 81 4.565 -11.349 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL B 81 2.795 -11.453 -3.673 1.00 0.00 H new ATOM 0 HG23 VAL B 81 3.580 -9.869 -3.877 1.00 0.00 H new ATOM 2652 N ILE B 82 3.528 -8.752 0.455 1.00 0.00 N ATOM 2653 CA ILE B 82 3.768 -8.404 1.848 1.00 0.00 C ATOM 2654 C ILE B 82 2.497 -7.840 2.482 1.00 0.00 C ATOM 2655 O ILE B 82 2.173 -8.146 3.626 1.00 0.00 O ATOM 2656 CB ILE B 82 4.942 -7.405 1.996 1.00 0.00 C ATOM 2657 CG1 ILE B 82 5.270 -7.157 3.470 1.00 0.00 C ATOM 2658 CG2 ILE B 82 4.653 -6.088 1.302 1.00 0.00 C ATOM 2659 CD1 ILE B 82 5.773 -8.384 4.196 1.00 0.00 C ATOM 0 H ILE B 82 4.010 -8.162 -0.223 1.00 0.00 H new ATOM 0 HA ILE B 82 4.049 -9.317 2.374 1.00 0.00 H new ATOM 0 HB ILE B 82 5.807 -7.859 1.513 1.00 0.00 H new ATOM 0 HG12 ILE B 82 6.023 -6.371 3.538 1.00 0.00 H new ATOM 0 HG13 ILE B 82 4.377 -6.788 3.975 1.00 0.00 H new ATOM 0 HG21 ILE B 82 5.501 -5.416 1.430 1.00 0.00 H new ATOM 0 HG22 ILE B 82 4.487 -6.265 0.239 1.00 0.00 H new ATOM 0 HG23 ILE B 82 3.762 -5.635 1.737 1.00 0.00 H new ATOM 0 HD11 ILE B 82 5.984 -8.131 5.235 1.00 0.00 H new ATOM 0 HD12 ILE B 82 5.013 -9.165 4.160 1.00 0.00 H new ATOM 0 HD13 ILE B 82 6.684 -8.742 3.717 1.00 0.00 H new ATOM 2671 N ALA B 83 1.769 -7.050 1.710 1.00 0.00 N ATOM 2672 CA ALA B 83 0.522 -6.452 2.177 1.00 0.00 C ATOM 2673 C ALA B 83 -0.504 -7.520 2.546 1.00 0.00 C ATOM 2674 O ALA B 83 -1.125 -7.448 3.606 1.00 0.00 O ATOM 2675 CB ALA B 83 -0.051 -5.515 1.127 1.00 0.00 C ATOM 0 H ALA B 83 2.019 -6.805 0.752 1.00 0.00 H new ATOM 0 HA ALA B 83 0.750 -5.877 3.075 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -0.980 -5.080 1.495 1.00 0.00 H new ATOM 0 HB2 ALA B 83 0.665 -4.719 0.920 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -0.249 -6.072 0.211 1.00 0.00 H new ATOM 2681 N LYS B 84 -0.677 -8.513 1.675 1.00 0.00 N ATOM 2682 CA LYS B 84 -1.634 -9.583 1.931 1.00 0.00 C ATOM 2683 C LYS B 84 -1.175 -10.443 3.110 1.00 0.00 C ATOM 2684 O LYS B 84 -1.994 -11.031 3.814 1.00 0.00 O ATOM 2685 CB LYS B 84 -1.870 -10.442 0.680 1.00 0.00 C ATOM 2686 CG LYS B 84 -0.681 -11.290 0.259 1.00 0.00 C ATOM 2687 CD LYS B 84 -0.979 -12.106 -0.994 1.00 0.00 C ATOM 2688 CE LYS B 84 -2.158 -13.046 -0.788 1.00 0.00 C ATOM 2689 NZ LYS B 84 -2.386 -13.937 -1.956 1.00 0.00 N ATOM 0 H LYS B 84 -0.171 -8.597 0.794 1.00 0.00 H new ATOM 0 HA LYS B 84 -2.587 -9.123 2.192 1.00 0.00 H new ATOM 0 HB2 LYS B 84 -2.721 -11.098 0.862 1.00 0.00 H new ATOM 0 HB3 LYS B 84 -2.143 -9.787 -0.148 1.00 0.00 H new ATOM 0 HG2 LYS B 84 0.178 -10.645 0.076 1.00 0.00 H new ATOM 0 HG3 LYS B 84 -0.408 -11.962 1.073 1.00 0.00 H new ATOM 0 HD2 LYS B 84 -1.192 -11.433 -1.824 1.00 0.00 H new ATOM 0 HD3 LYS B 84 -0.097 -12.684 -1.270 1.00 0.00 H new ATOM 0 HE2 LYS B 84 -1.983 -13.654 0.100 1.00 0.00 H new ATOM 0 HE3 LYS B 84 -3.058 -12.460 -0.601 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 -3.199 -14.557 -1.766 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 -2.580 -13.361 -2.800 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 -1.539 -14.517 -2.120 1.00 0.00 H new ATOM 2703 N GLN B 85 0.138 -10.504 3.322 1.00 0.00 N ATOM 2704 CA GLN B 85 0.702 -11.213 4.464 1.00 0.00 C ATOM 2705 C GLN B 85 0.409 -10.447 5.755 1.00 0.00 C ATOM 2706 O GLN B 85 0.154 -11.042 6.800 1.00 0.00 O ATOM 2707 CB GLN B 85 2.214 -11.388 4.286 1.00 0.00 C ATOM 2708 CG GLN B 85 2.868 -12.253 5.353 1.00 0.00 C ATOM 2709 CD GLN B 85 2.463 -13.711 5.257 1.00 0.00 C ATOM 2710 OE1 GLN B 85 1.476 -14.140 5.855 1.00 0.00 O ATOM 2711 NE2 GLN B 85 3.233 -14.484 4.508 1.00 0.00 N ATOM 0 H GLN B 85 0.832 -10.069 2.714 1.00 0.00 H new ATOM 0 HA GLN B 85 0.241 -12.199 4.527 1.00 0.00 H new ATOM 0 HB2 GLN B 85 2.405 -11.829 3.308 1.00 0.00 H new ATOM 0 HB3 GLN B 85 2.686 -10.405 4.290 1.00 0.00 H new ATOM 0 HG2 GLN B 85 3.952 -12.175 5.264 1.00 0.00 H new ATOM 0 HG3 GLN B 85 2.601 -11.871 6.338 1.00 0.00 H new ATOM 0 HE21 GLN B 85 4.042 -14.088 4.029 1.00 0.00 H new ATOM 0 HE22 GLN B 85 3.018 -15.476 4.409 1.00 0.00 H new ATOM 2720 N ILE B 86 0.440 -9.122 5.665 1.00 0.00 N ATOM 2721 CA ILE B 86 0.162 -8.260 6.807 1.00 0.00 C ATOM 2722 C ILE B 86 -1.319 -8.307 7.184 1.00 0.00 C ATOM 2723 O ILE B 86 -1.665 -8.425 8.360 1.00 0.00 O ATOM 2724 CB ILE B 86 0.577 -6.796 6.515 1.00 0.00 C ATOM 2725 CG1 ILE B 86 2.097 -6.698 6.358 1.00 0.00 C ATOM 2726 CG2 ILE B 86 0.095 -5.863 7.619 1.00 0.00 C ATOM 2727 CD1 ILE B 86 2.588 -5.312 5.990 1.00 0.00 C ATOM 0 H ILE B 86 0.657 -8.618 4.805 1.00 0.00 H new ATOM 0 HA ILE B 86 0.751 -8.633 7.645 1.00 0.00 H new ATOM 0 HB ILE B 86 0.107 -6.487 5.582 1.00 0.00 H new ATOM 0 HG12 ILE B 86 2.569 -7.004 7.291 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.419 -7.403 5.591 1.00 0.00 H new ATOM 0 HG21 ILE B 86 0.399 -4.841 7.391 1.00 0.00 H new ATOM 0 HG22 ILE B 86 -0.992 -5.912 7.688 1.00 0.00 H new ATOM 0 HG23 ILE B 86 0.533 -6.168 8.570 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.674 -5.324 5.897 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.146 -5.009 5.041 1.00 0.00 H new ATOM 0 HD13 ILE B 86 2.298 -4.605 6.767 1.00 0.00 H new ATOM 2739 N LEU B 87 -2.195 -8.230 6.182 1.00 0.00 N ATOM 2740 CA LEU B 87 -3.635 -8.253 6.436 1.00 0.00 C ATOM 2741 C LEU B 87 -4.106 -9.668 6.756 1.00 0.00 C ATOM 2742 O LEU B 87 -5.257 -9.880 7.149 1.00 0.00 O ATOM 2743 CB LEU B 87 -4.417 -7.655 5.251 1.00 0.00 C ATOM 2744 CG LEU B 87 -4.226 -8.329 3.885 1.00 0.00 C ATOM 2745 CD1 LEU B 87 -5.096 -9.570 3.752 1.00 0.00 C ATOM 2746 CD2 LEU B 87 -4.534 -7.345 2.767 1.00 0.00 C ATOM 0 H LEU B 87 -1.937 -8.152 5.198 1.00 0.00 H new ATOM 0 HA LEU B 87 -3.835 -7.630 7.308 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -5.479 -7.681 5.497 1.00 0.00 H new ATOM 0 HB3 LEU B 87 -4.137 -6.606 5.154 1.00 0.00 H new ATOM 0 HG LEU B 87 -3.185 -8.642 3.807 1.00 0.00 H new ATOM 0 HD11 LEU B 87 -4.937 -10.023 2.773 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -4.831 -10.285 4.531 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -6.145 -9.292 3.857 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -4.395 -7.834 1.803 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -5.566 -7.005 2.856 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -3.862 -6.490 2.840 1.00 0.00 H new ATOM 2758 N SER B 88 -3.212 -10.632 6.582 1.00 0.00 N ATOM 2759 CA SER B 88 -3.494 -12.008 6.935 1.00 0.00 C ATOM 2760 C SER B 88 -3.619 -12.130 8.451 1.00 0.00 C ATOM 2761 O SER B 88 -2.635 -12.029 9.181 1.00 0.00 O ATOM 2762 CB SER B 88 -2.391 -12.932 6.407 1.00 0.00 C ATOM 2763 OG SER B 88 -2.679 -14.294 6.678 1.00 0.00 O ATOM 0 H SER B 88 -2.280 -10.480 6.195 1.00 0.00 H new ATOM 0 HA SER B 88 -4.436 -12.310 6.477 1.00 0.00 H new ATOM 0 HB2 SER B 88 -2.279 -12.790 5.332 1.00 0.00 H new ATOM 0 HB3 SER B 88 -1.439 -12.662 6.865 1.00 0.00 H new ATOM 0 HG SER B 88 -1.958 -14.857 6.327 1.00 0.00 H new ATOM 2769 N SER B 89 -4.838 -12.319 8.915 1.00 0.00 N ATOM 2770 CA SER B 89 -5.111 -12.384 10.335 1.00 0.00 C ATOM 2771 C SER B 89 -6.007 -13.571 10.646 1.00 0.00 C ATOM 2772 O SER B 89 -6.557 -14.193 9.734 1.00 0.00 O ATOM 2773 CB SER B 89 -5.752 -11.071 10.796 1.00 0.00 C ATOM 2774 OG SER B 89 -6.668 -10.585 9.824 1.00 0.00 O ATOM 0 H SER B 89 -5.661 -12.431 8.323 1.00 0.00 H new ATOM 0 HA SER B 89 -4.176 -12.522 10.878 1.00 0.00 H new ATOM 0 HB2 SER B 89 -6.269 -11.227 11.743 1.00 0.00 H new ATOM 0 HB3 SER B 89 -4.976 -10.326 10.975 1.00 0.00 H new ATOM 0 HG SER B 89 -6.173 -10.239 9.052 1.00 0.00 H new