USER MOD reduce.3.24.130724 H: found=0, std=0, add=1131, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1119 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 575 CYS SG : rot -118:sc= -0.591! USER MOD Set 1.2: B 578 CYS SG : rot 39:sc= 0.0495 USER MOD Set 1.3: B 596 CYS SG : rot 65:sc= -1.36 USER MOD Set 1.4: B 599 CYS SG : rot -103:sc= -0.899 USER MOD Set 2.1: B 591 ASN : amide:sc= -12.5! C(o=-12!,f=-6.7!) USER MOD Set 2.2: B 595 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: B 562 THR OG1 : rot 180:sc= 0.00316 USER MOD Set 3.2: B 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.3: B 584 LYS NZ :NH3+ 157:sc= -5.37! (180deg=-6.17!) USER MOD Set 4.1: B 549 CYS SG : rot -119:sc= -0.805 USER MOD Set 4.2: B 552 CYS SG : rot -178:sc= 0.398 USER MOD Set 4.3: B 569 HIS : no HE2:sc= -4.79! C(o=-10!,f=-23!) USER MOD Set 4.4: B 572 HIS : no HD1:sc= -5.23! C(o=-10!,f=-18!) USER MOD Set 5.1: A 45 MET CE :methyl -135:sc= -1.33 (180deg=-3.45!) USER MOD Set 5.2: B 602 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 47:sc= -5.74! USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -3.59! C(o=-3.6!,f=-4.5!) USER MOD Single : A 25 THR OG1 : rot 90:sc= -0.663! USER MOD Single : A 28 ASN : amide:sc= -2.36! K(o=-2.4!,f=-1.4) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.698 USER MOD Single : A 40 HIS : no HE2:sc= -0.133 X(o=-0.13,f=-0.43) USER MOD Single : A 47 LYS NZ :NH3+ -169:sc=-0.000724 (180deg=-0.139) USER MOD Single : A 51 LYS NZ :NH3+ 158:sc= -4.56! (180deg=-6.04!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= -1.38! (180deg=-2.26!) USER MOD Single : A 59 SER OG : rot 180:sc= -1.01 USER MOD Single : A 61 HIS : no HD1:sc= -9.91! C(o=-9.9!,f=-22!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.09 USER MOD Single : A 74 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.00595) USER MOD Single : A 75 THR OG1 : rot -160:sc= 0.0621 USER MOD Single : A 76 HIS : no HD1:sc= -0.131! C(o=-0.13!,f=-5.6!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0988 USER MOD Single : A 81 LYS NZ :NH3+ 138:sc= -0.557 (180deg=-2.84!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -2.65! K(o=-2.7!,f=-1.4) USER MOD Single : A 89 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.156) USER MOD Single : A 91 GLN : amide:sc= -9.3! C(o=-9.3!,f=-10!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : B 547 SER OG : rot 180:sc= 0 USER MOD Single : B 550 SER OG : rot 130:sc= 0 USER MOD Single : B 553 GLN : amide:sc= -3.37! K(o=-3.4!,f=-1.3) USER MOD Single : B 554 LYS NZ :NH3+ 162:sc=-0.00313 (180deg=-0.124) USER MOD Single : B 557 THR OG1 : rot 63:sc= 0.984 USER MOD Single : B 560 CYS SG : rot 35:sc= 0.41 USER MOD Single : B 564 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 566 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 580 LYS NZ :NH3+ 160:sc=-0.00118 (180deg=-0.603) USER MOD Single : B 581 GLN : amide:sc= -4.36! C(o=-4.4!,f=-2.2!) USER MOD Single : B 583 ASN : amide:sc= -2.04! C(o=-2!,f=-3.7!) USER MOD Single : B 586 THR OG1 : rot 68:sc= 0.453 USER MOD Single : B 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 590 GLN : amide:sc= -0.704 K(o=-0.7,f=-1.7) USER MOD Single : B 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 597 GLN : amide:sc= -4.88! K(o=-4.9!,f=-0.084) USER MOD Single : B 598 ASN : amide:sc= -0.595 X(o=-0.59,f=-0.51) USER MOD Single : B 605 CYS SG : rot -62:sc= -0.0306 USER MOD ----------------------------------------------------------------- ATOM 213 N GLY A 16 88.931 -15.008 13.707 1.00 0.00 N ATOM 214 CA GLY A 16 88.913 -14.620 12.266 1.00 0.00 C ATOM 215 C GLY A 16 88.724 -13.109 12.146 1.00 0.00 C ATOM 216 O GLY A 16 88.422 -12.596 11.088 1.00 0.00 O ATOM 0 HA2 GLY A 16 89.845 -14.920 11.786 1.00 0.00 H new ATOM 0 HA3 GLY A 16 88.107 -15.140 11.749 1.00 0.00 H new ATOM 220 N THR A 17 88.903 -12.386 13.221 1.00 0.00 N ATOM 221 CA THR A 17 88.735 -10.910 13.153 1.00 0.00 C ATOM 222 C THR A 17 90.030 -10.275 12.673 1.00 0.00 C ATOM 223 O THR A 17 91.086 -10.461 13.245 1.00 0.00 O ATOM 224 CB THR A 17 88.411 -10.334 14.533 1.00 0.00 C ATOM 225 OG1 THR A 17 88.811 -8.977 14.564 1.00 0.00 O ATOM 226 CG2 THR A 17 89.170 -11.111 15.602 1.00 0.00 C ATOM 0 H THR A 17 89.157 -12.755 14.138 1.00 0.00 H new ATOM 0 HA THR A 17 87.916 -10.694 12.466 1.00 0.00 H new ATOM 0 HB THR A 17 87.341 -10.412 14.726 1.00 0.00 H new ATOM 0 HG1 THR A 17 88.495 -8.524 13.754 1.00 0.00 H new ATOM 0 HG21 THR A 17 88.938 -10.700 16.584 1.00 0.00 H new ATOM 0 HG22 THR A 17 88.874 -12.160 15.569 1.00 0.00 H new ATOM 0 HG23 THR A 17 90.241 -11.030 15.419 1.00 0.00 H new ATOM 234 N TRP A 18 89.934 -9.502 11.642 1.00 0.00 N ATOM 235 CA TRP A 18 91.118 -8.789 11.090 1.00 0.00 C ATOM 236 C TRP A 18 90.741 -7.316 10.954 1.00 0.00 C ATOM 237 O TRP A 18 89.824 -6.966 10.238 1.00 0.00 O ATOM 238 CB TRP A 18 91.498 -9.374 9.717 1.00 0.00 C ATOM 239 CG TRP A 18 90.346 -10.122 9.120 1.00 0.00 C ATOM 240 CD1 TRP A 18 89.243 -9.558 8.578 1.00 0.00 C ATOM 241 CD2 TRP A 18 90.174 -11.563 8.991 1.00 0.00 C ATOM 242 NE1 TRP A 18 88.406 -10.562 8.122 1.00 0.00 N ATOM 243 CE2 TRP A 18 88.935 -11.815 8.357 1.00 0.00 C ATOM 244 CE3 TRP A 18 90.966 -12.665 9.361 1.00 0.00 C ATOM 245 CZ2 TRP A 18 88.497 -13.114 8.097 1.00 0.00 C ATOM 246 CZ3 TRP A 18 90.528 -13.974 9.102 1.00 0.00 C ATOM 247 CH2 TRP A 18 89.296 -14.198 8.471 1.00 0.00 C ATOM 0 H TRP A 18 89.063 -9.326 11.141 1.00 0.00 H new ATOM 0 HA TRP A 18 91.978 -8.904 11.749 1.00 0.00 H new ATOM 0 HB2 TRP A 18 91.803 -8.571 9.046 1.00 0.00 H new ATOM 0 HB3 TRP A 18 92.354 -10.041 9.825 1.00 0.00 H new ATOM 0 HD1 TRP A 18 89.047 -8.498 8.512 1.00 0.00 H new ATOM 0 HE1 TRP A 18 87.508 -10.396 7.668 1.00 0.00 H new ATOM 0 HE3 TRP A 18 91.917 -12.504 9.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 87.547 -13.281 7.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 91.144 -14.813 9.391 1.00 0.00 H new ATOM 0 HH2 TRP A 18 88.965 -15.207 8.274 1.00 0.00 H new ATOM 258 N GLU A 19 91.432 -6.450 11.634 1.00 0.00 N ATOM 259 CA GLU A 19 91.087 -5.006 11.528 1.00 0.00 C ATOM 260 C GLU A 19 91.565 -4.497 10.177 1.00 0.00 C ATOM 261 O GLU A 19 92.713 -4.655 9.810 1.00 0.00 O ATOM 262 CB GLU A 19 91.728 -4.178 12.674 1.00 0.00 C ATOM 263 CG GLU A 19 92.786 -4.999 13.394 1.00 0.00 C ATOM 264 CD GLU A 19 93.818 -5.515 12.389 1.00 0.00 C ATOM 265 OE1 GLU A 19 94.406 -4.697 11.701 1.00 0.00 O ATOM 266 OE2 GLU A 19 94.003 -6.719 12.326 1.00 0.00 O ATOM 0 H GLU A 19 92.212 -6.673 12.252 1.00 0.00 H new ATOM 0 HA GLU A 19 90.007 -4.891 11.617 1.00 0.00 H new ATOM 0 HB2 GLU A 19 92.176 -3.271 12.269 1.00 0.00 H new ATOM 0 HB3 GLU A 19 90.958 -3.866 13.380 1.00 0.00 H new ATOM 0 HG2 GLU A 19 93.277 -4.390 14.153 1.00 0.00 H new ATOM 0 HG3 GLU A 19 92.319 -5.837 13.911 1.00 0.00 H new ATOM 273 N LEU A 20 90.697 -3.879 9.434 1.00 0.00 N ATOM 274 CA LEU A 20 91.107 -3.353 8.113 1.00 0.00 C ATOM 275 C LEU A 20 91.767 -2.004 8.351 1.00 0.00 C ATOM 276 O LEU A 20 91.267 -1.185 9.090 1.00 0.00 O ATOM 277 CB LEU A 20 89.856 -3.200 7.212 1.00 0.00 C ATOM 278 CG LEU A 20 90.045 -3.931 5.868 1.00 0.00 C ATOM 279 CD1 LEU A 20 91.312 -3.425 5.151 1.00 0.00 C ATOM 280 CD2 LEU A 20 90.134 -5.455 6.100 1.00 0.00 C ATOM 0 H LEU A 20 89.722 -3.716 9.686 1.00 0.00 H new ATOM 0 HA LEU A 20 91.802 -4.027 7.613 1.00 0.00 H new ATOM 0 HB2 LEU A 20 88.982 -3.600 7.727 1.00 0.00 H new ATOM 0 HB3 LEU A 20 89.663 -2.143 7.030 1.00 0.00 H new ATOM 0 HG LEU A 20 89.183 -3.721 5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 20 91.429 -3.952 4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 20 91.220 -2.355 4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 20 92.184 -3.609 5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 20 90.267 -5.961 5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 20 90.982 -5.675 6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 20 89.216 -5.806 6.571 1.00 0.00 H new ATOM 292 N SER A 21 92.884 -1.766 7.740 1.00 0.00 N ATOM 293 CA SER A 21 93.567 -0.470 7.954 1.00 0.00 C ATOM 294 C SER A 21 92.841 0.591 7.151 1.00 0.00 C ATOM 295 O SER A 21 92.327 0.328 6.082 1.00 0.00 O ATOM 296 CB SER A 21 95.020 -0.568 7.487 1.00 0.00 C ATOM 297 OG SER A 21 95.820 0.326 8.251 1.00 0.00 O ATOM 0 H SER A 21 93.353 -2.410 7.103 1.00 0.00 H new ATOM 0 HA SER A 21 93.556 -0.211 9.013 1.00 0.00 H new ATOM 0 HB2 SER A 21 95.383 -1.589 7.603 1.00 0.00 H new ATOM 0 HB3 SER A 21 95.091 -0.323 6.427 1.00 0.00 H new ATOM 0 HG SER A 21 96.752 0.265 7.956 1.00 0.00 H new ATOM 303 N VAL A 22 92.786 1.786 7.663 1.00 0.00 N ATOM 304 CA VAL A 22 92.080 2.874 6.936 1.00 0.00 C ATOM 305 C VAL A 22 92.892 4.162 7.007 1.00 0.00 C ATOM 306 O VAL A 22 92.937 4.835 8.017 1.00 0.00 O ATOM 307 CB VAL A 22 90.677 3.059 7.546 1.00 0.00 C ATOM 308 CG1 VAL A 22 90.087 4.417 7.173 1.00 0.00 C ATOM 309 CG2 VAL A 22 89.761 1.970 6.991 1.00 0.00 C ATOM 0 H VAL A 22 93.200 2.057 8.555 1.00 0.00 H new ATOM 0 HA VAL A 22 91.970 2.610 5.884 1.00 0.00 H new ATOM 0 HB VAL A 22 90.759 2.998 8.631 1.00 0.00 H new ATOM 0 HG11 VAL A 22 89.097 4.518 7.618 1.00 0.00 H new ATOM 0 HG12 VAL A 22 90.735 5.210 7.546 1.00 0.00 H new ATOM 0 HG13 VAL A 22 90.007 4.494 6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 22 88.762 2.085 7.412 1.00 0.00 H new ATOM 0 HG22 VAL A 22 89.709 2.056 5.906 1.00 0.00 H new ATOM 0 HG23 VAL A 22 90.157 0.990 7.259 1.00 0.00 H new ATOM 319 N HIS A 23 93.511 4.516 5.919 1.00 0.00 N ATOM 320 CA HIS A 23 94.302 5.768 5.878 1.00 0.00 C ATOM 321 C HIS A 23 93.337 6.918 5.617 1.00 0.00 C ATOM 322 O HIS A 23 92.895 7.120 4.503 1.00 0.00 O ATOM 323 CB HIS A 23 95.320 5.673 4.735 1.00 0.00 C ATOM 324 CG HIS A 23 96.568 4.975 5.211 1.00 0.00 C ATOM 325 ND1 HIS A 23 96.610 3.609 5.438 1.00 0.00 N ATOM 326 CD2 HIS A 23 97.824 5.444 5.507 1.00 0.00 C ATOM 327 CE1 HIS A 23 97.854 3.305 5.852 1.00 0.00 C ATOM 328 NE2 HIS A 23 98.635 4.387 5.911 1.00 0.00 N ATOM 0 H HIS A 23 93.501 3.984 5.049 1.00 0.00 H new ATOM 0 HA HIS A 23 94.833 5.929 6.816 1.00 0.00 H new ATOM 0 HB2 HIS A 23 94.887 5.129 3.896 1.00 0.00 H new ATOM 0 HB3 HIS A 23 95.567 6.671 4.374 1.00 0.00 H new ATOM 0 HD2 HIS A 23 98.135 6.476 5.437 1.00 0.00 H new ATOM 0 HE1 HIS A 23 98.181 2.307 6.106 1.00 0.00 H new ATOM 0 HE2 HIS A 23 99.615 4.430 6.192 1.00 0.00 H new ATOM 336 N VAL A 24 93.006 7.685 6.618 1.00 0.00 N ATOM 337 CA VAL A 24 92.075 8.812 6.367 1.00 0.00 C ATOM 338 C VAL A 24 92.856 9.881 5.618 1.00 0.00 C ATOM 339 O VAL A 24 93.869 10.361 6.084 1.00 0.00 O ATOM 340 CB VAL A 24 91.545 9.364 7.688 1.00 0.00 C ATOM 341 CG1 VAL A 24 90.283 10.185 7.432 1.00 0.00 C ATOM 342 CG2 VAL A 24 91.208 8.207 8.634 1.00 0.00 C ATOM 0 H VAL A 24 93.333 7.582 7.579 1.00 0.00 H new ATOM 0 HA VAL A 24 91.217 8.483 5.781 1.00 0.00 H new ATOM 0 HB VAL A 24 92.308 9.996 8.142 1.00 0.00 H new ATOM 0 HG11 VAL A 24 89.907 10.578 8.377 1.00 0.00 H new ATOM 0 HG12 VAL A 24 90.517 11.013 6.762 1.00 0.00 H new ATOM 0 HG13 VAL A 24 89.523 9.551 6.974 1.00 0.00 H new ATOM 0 HG21 VAL A 24 90.830 8.605 9.576 1.00 0.00 H new ATOM 0 HG22 VAL A 24 90.448 7.573 8.177 1.00 0.00 H new ATOM 0 HG23 VAL A 24 92.106 7.618 8.823 1.00 0.00 H new ATOM 352 N THR A 25 92.430 10.228 4.442 1.00 0.00 N ATOM 353 CA THR A 25 93.192 11.231 3.654 1.00 0.00 C ATOM 354 C THR A 25 92.873 12.657 4.121 1.00 0.00 C ATOM 355 O THR A 25 93.749 13.382 4.549 1.00 0.00 O ATOM 356 CB THR A 25 92.834 11.064 2.175 1.00 0.00 C ATOM 357 OG1 THR A 25 91.645 11.789 1.894 1.00 0.00 O ATOM 358 CG2 THR A 25 92.616 9.575 1.863 1.00 0.00 C ATOM 0 H THR A 25 91.591 9.863 3.992 1.00 0.00 H new ATOM 0 HA THR A 25 94.260 11.068 3.801 1.00 0.00 H new ATOM 0 HB THR A 25 93.647 11.446 1.558 1.00 0.00 H new ATOM 0 HG1 THR A 25 91.875 12.703 1.625 1.00 0.00 H new ATOM 0 HG21 THR A 25 92.361 9.457 0.810 1.00 0.00 H new ATOM 0 HG22 THR A 25 93.529 9.020 2.080 1.00 0.00 H new ATOM 0 HG23 THR A 25 91.803 9.190 2.478 1.00 0.00 H new ATOM 366 N ASP A 26 91.642 13.077 4.037 1.00 0.00 N ATOM 367 CA ASP A 26 91.306 14.465 4.473 1.00 0.00 C ATOM 368 C ASP A 26 91.880 14.725 5.869 1.00 0.00 C ATOM 369 O ASP A 26 91.901 15.846 6.338 1.00 0.00 O ATOM 370 CB ASP A 26 89.788 14.643 4.501 1.00 0.00 C ATOM 371 CG ASP A 26 89.445 16.022 5.070 1.00 0.00 C ATOM 372 OD1 ASP A 26 88.473 16.115 5.800 1.00 0.00 O ATOM 373 OD2 ASP A 26 90.162 16.961 4.764 1.00 0.00 O ATOM 0 H ASP A 26 90.858 12.526 3.688 1.00 0.00 H new ATOM 0 HA ASP A 26 91.740 15.175 3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 26 89.381 14.542 3.495 1.00 0.00 H new ATOM 0 HB3 ASP A 26 89.331 13.863 5.110 1.00 0.00 H new ATOM 378 N LEU A 27 92.346 13.697 6.534 1.00 0.00 N ATOM 379 CA LEU A 27 92.928 13.863 7.908 1.00 0.00 C ATOM 380 C LEU A 27 94.394 13.413 7.877 1.00 0.00 C ATOM 381 O LEU A 27 95.239 14.003 8.514 1.00 0.00 O ATOM 382 CB LEU A 27 92.119 12.997 8.894 1.00 0.00 C ATOM 383 CG LEU A 27 91.040 13.849 9.598 1.00 0.00 C ATOM 384 CD1 LEU A 27 89.881 12.953 10.056 1.00 0.00 C ATOM 385 CD2 LEU A 27 91.658 14.551 10.815 1.00 0.00 C ATOM 0 H LEU A 27 92.349 12.739 6.183 1.00 0.00 H new ATOM 0 HA LEU A 27 92.881 14.904 8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 27 91.649 12.171 8.361 1.00 0.00 H new ATOM 0 HB3 LEU A 27 92.787 12.559 9.636 1.00 0.00 H new ATOM 0 HG LEU A 27 90.660 14.594 8.899 1.00 0.00 H new ATOM 0 HD11 LEU A 27 89.124 13.562 10.551 1.00 0.00 H new ATOM 0 HD12 LEU A 27 89.439 12.459 9.191 1.00 0.00 H new ATOM 0 HD13 LEU A 27 90.255 12.202 10.752 1.00 0.00 H new ATOM 0 HD21 LEU A 27 90.898 15.153 11.313 1.00 0.00 H new ATOM 0 HD22 LEU A 27 92.042 13.804 11.510 1.00 0.00 H new ATOM 0 HD23 LEU A 27 92.474 15.195 10.488 1.00 0.00 H new ATOM 397 N ASN A 28 94.678 12.382 7.123 1.00 0.00 N ATOM 398 CA ASN A 28 96.078 11.856 6.987 1.00 0.00 C ATOM 399 C ASN A 28 96.417 10.863 8.103 1.00 0.00 C ATOM 400 O ASN A 28 97.551 10.445 8.226 1.00 0.00 O ATOM 401 CB ASN A 28 97.103 13.004 7.009 1.00 0.00 C ATOM 402 CG ASN A 28 98.390 12.546 6.328 1.00 0.00 C ATOM 403 OD1 ASN A 28 99.195 13.352 5.905 1.00 0.00 O ATOM 404 ND2 ASN A 28 98.610 11.272 6.209 1.00 0.00 N ATOM 0 H ASN A 28 93.983 11.868 6.581 1.00 0.00 H new ATOM 0 HA ASN A 28 96.130 11.341 6.028 1.00 0.00 H new ATOM 0 HB2 ASN A 28 96.699 13.877 6.498 1.00 0.00 H new ATOM 0 HB3 ASN A 28 97.309 13.303 8.037 1.00 0.00 H new ATOM 0 HD21 ASN A 28 99.463 10.942 5.758 1.00 0.00 H new ATOM 0 HD22 ASN A 28 97.930 10.601 6.567 1.00 0.00 H new ATOM 411 N ARG A 29 95.469 10.462 8.914 1.00 0.00 N ATOM 412 CA ARG A 29 95.778 9.499 9.984 1.00 0.00 C ATOM 413 C ARG A 29 95.503 8.089 9.484 1.00 0.00 C ATOM 414 O ARG A 29 95.157 7.875 8.339 1.00 0.00 O ATOM 415 CB ARG A 29 94.934 9.785 11.204 1.00 0.00 C ATOM 416 CG ARG A 29 93.482 9.667 10.838 1.00 0.00 C ATOM 417 CD ARG A 29 92.622 9.989 12.050 1.00 0.00 C ATOM 418 NE ARG A 29 91.202 10.147 11.627 1.00 0.00 N ATOM 419 CZ ARG A 29 90.241 10.018 12.502 1.00 0.00 C ATOM 420 NH1 ARG A 29 88.997 10.150 12.130 1.00 0.00 N ATOM 421 NH2 ARG A 29 90.526 9.760 13.749 1.00 0.00 N ATOM 0 H ARG A 29 94.497 10.768 8.871 1.00 0.00 H new ATOM 0 HA ARG A 29 96.829 9.592 10.258 1.00 0.00 H new ATOM 0 HB2 ARG A 29 95.178 9.084 12.002 1.00 0.00 H new ATOM 0 HB3 ARG A 29 95.146 10.785 11.582 1.00 0.00 H new ATOM 0 HG2 ARG A 29 93.246 10.349 10.021 1.00 0.00 H new ATOM 0 HG3 ARG A 29 93.267 8.659 10.484 1.00 0.00 H new ATOM 0 HD2 ARG A 29 92.705 9.193 12.790 1.00 0.00 H new ATOM 0 HD3 ARG A 29 92.974 10.904 12.526 1.00 0.00 H new ATOM 0 HE ARG A 29 90.980 10.356 10.654 1.00 0.00 H new ATOM 0 HH11 ARG A 29 88.775 10.354 11.156 1.00 0.00 H new ATOM 0 HH12 ARG A 29 88.247 10.049 12.814 1.00 0.00 H new ATOM 0 HH21 ARG A 29 91.499 9.659 14.040 1.00 0.00 H new ATOM 0 HH22 ARG A 29 89.776 9.659 14.433 1.00 0.00 H new ATOM 435 N ASP A 30 95.648 7.133 10.346 1.00 0.00 N ATOM 436 CA ASP A 30 95.395 5.713 9.978 1.00 0.00 C ATOM 437 C ASP A 30 94.515 5.074 11.037 1.00 0.00 C ATOM 438 O ASP A 30 94.892 4.939 12.184 1.00 0.00 O ATOM 439 CB ASP A 30 96.714 4.948 9.885 1.00 0.00 C ATOM 440 CG ASP A 30 97.511 5.440 8.676 1.00 0.00 C ATOM 441 OD1 ASP A 30 98.475 4.782 8.319 1.00 0.00 O ATOM 442 OD2 ASP A 30 97.145 6.466 8.126 1.00 0.00 O ATOM 0 H ASP A 30 95.938 7.275 11.314 1.00 0.00 H new ATOM 0 HA ASP A 30 94.898 5.678 9.009 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.293 5.091 10.797 1.00 0.00 H new ATOM 0 HB3 ASP A 30 96.520 3.879 9.794 1.00 0.00 H new ATOM 447 N VAL A 31 93.335 4.683 10.649 1.00 0.00 N ATOM 448 CA VAL A 31 92.387 4.047 11.603 1.00 0.00 C ATOM 449 C VAL A 31 92.255 2.568 11.268 1.00 0.00 C ATOM 450 O VAL A 31 92.503 2.145 10.156 1.00 0.00 O ATOM 451 CB VAL A 31 91.024 4.716 11.465 1.00 0.00 C ATOM 452 CG1 VAL A 31 90.086 4.170 12.534 1.00 0.00 C ATOM 453 CG2 VAL A 31 91.176 6.234 11.635 1.00 0.00 C ATOM 0 H VAL A 31 92.982 4.779 9.697 1.00 0.00 H new ATOM 0 HA VAL A 31 92.755 4.160 12.623 1.00 0.00 H new ATOM 0 HB VAL A 31 90.612 4.506 10.478 1.00 0.00 H new ATOM 0 HG11 VAL A 31 89.110 4.646 12.439 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.978 3.093 12.408 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.498 4.380 13.521 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.201 6.711 11.536 1.00 0.00 H new ATOM 0 HG22 VAL A 31 91.587 6.450 12.621 1.00 0.00 H new ATOM 0 HG23 VAL A 31 91.848 6.620 10.869 1.00 0.00 H new ATOM 463 N THR A 32 91.855 1.784 12.229 1.00 0.00 N ATOM 464 CA THR A 32 91.680 0.319 12.002 1.00 0.00 C ATOM 465 C THR A 32 90.332 -0.091 12.600 1.00 0.00 C ATOM 466 O THR A 32 90.005 0.262 13.716 1.00 0.00 O ATOM 467 CB THR A 32 92.836 -0.451 12.690 1.00 0.00 C ATOM 468 OG1 THR A 32 93.626 0.467 13.431 1.00 0.00 O ATOM 469 CG2 THR A 32 93.730 -1.152 11.652 1.00 0.00 C ATOM 0 H THR A 32 91.639 2.098 13.175 1.00 0.00 H new ATOM 0 HA THR A 32 91.699 0.085 10.938 1.00 0.00 H new ATOM 0 HB THR A 32 92.405 -1.207 13.346 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.359 -0.013 13.871 1.00 0.00 H new ATOM 0 HG21 THR A 32 94.532 -1.684 12.163 1.00 0.00 H new ATOM 0 HG22 THR A 32 93.133 -1.860 11.077 1.00 0.00 H new ATOM 0 HG23 THR A 32 94.158 -0.409 10.980 1.00 0.00 H new ATOM 477 N LEU A 33 89.546 -0.819 11.855 1.00 0.00 N ATOM 478 CA LEU A 33 88.205 -1.249 12.340 1.00 0.00 C ATOM 479 C LEU A 33 88.192 -2.769 12.508 1.00 0.00 C ATOM 480 O LEU A 33 88.248 -3.504 11.549 1.00 0.00 O ATOM 481 CB LEU A 33 87.159 -0.856 11.285 1.00 0.00 C ATOM 482 CG LEU A 33 86.733 0.623 11.406 1.00 0.00 C ATOM 483 CD1 LEU A 33 85.708 0.800 12.522 1.00 0.00 C ATOM 484 CD2 LEU A 33 87.927 1.529 11.697 1.00 0.00 C ATOM 0 H LEU A 33 89.781 -1.139 10.915 1.00 0.00 H new ATOM 0 HA LEU A 33 87.981 -0.773 13.295 1.00 0.00 H new ATOM 0 HB2 LEU A 33 87.565 -1.035 10.289 1.00 0.00 H new ATOM 0 HB3 LEU A 33 86.282 -1.494 11.391 1.00 0.00 H new ATOM 0 HG LEU A 33 86.295 0.905 10.449 1.00 0.00 H new ATOM 0 HD11 LEU A 33 85.422 1.850 12.590 1.00 0.00 H new ATOM 0 HD12 LEU A 33 84.826 0.197 12.305 1.00 0.00 H new ATOM 0 HD13 LEU A 33 86.143 0.481 13.469 1.00 0.00 H new ATOM 0 HD21 LEU A 33 87.589 2.562 11.776 1.00 0.00 H new ATOM 0 HD22 LEU A 33 88.393 1.227 12.635 1.00 0.00 H new ATOM 0 HD23 LEU A 33 88.653 1.445 10.888 1.00 0.00 H new ATOM 496 N ARG A 34 88.085 -3.233 13.717 1.00 0.00 N ATOM 497 CA ARG A 34 88.042 -4.702 13.961 1.00 0.00 C ATOM 498 C ARG A 34 86.833 -5.265 13.222 1.00 0.00 C ATOM 499 O ARG A 34 85.703 -5.087 13.634 1.00 0.00 O ATOM 500 CB ARG A 34 87.879 -4.957 15.463 1.00 0.00 C ATOM 501 CG ARG A 34 88.044 -6.458 15.766 1.00 0.00 C ATOM 502 CD ARG A 34 89.528 -6.833 15.851 1.00 0.00 C ATOM 503 NE ARG A 34 89.677 -8.109 16.608 1.00 0.00 N ATOM 504 CZ ARG A 34 90.848 -8.465 17.060 1.00 0.00 C ATOM 505 NH1 ARG A 34 90.977 -9.566 17.748 1.00 0.00 N ATOM 506 NH2 ARG A 34 91.892 -7.719 16.822 1.00 0.00 N ATOM 0 H ARG A 34 88.025 -2.655 14.555 1.00 0.00 H new ATOM 0 HA ARG A 34 88.959 -5.176 13.611 1.00 0.00 H new ATOM 0 HB2 ARG A 34 88.619 -4.382 16.020 1.00 0.00 H new ATOM 0 HB3 ARG A 34 86.897 -4.617 15.793 1.00 0.00 H new ATOM 0 HG2 ARG A 34 87.548 -6.701 16.706 1.00 0.00 H new ATOM 0 HG3 ARG A 34 87.559 -7.047 14.988 1.00 0.00 H new ATOM 0 HD2 ARG A 34 89.944 -6.941 14.850 1.00 0.00 H new ATOM 0 HD3 ARG A 34 90.087 -6.038 16.344 1.00 0.00 H new ATOM 0 HE ARG A 34 88.864 -8.703 16.772 1.00 0.00 H new ATOM 0 HH11 ARG A 34 90.162 -10.150 17.933 1.00 0.00 H new ATOM 0 HH12 ARG A 34 91.893 -9.843 18.101 1.00 0.00 H new ATOM 0 HH21 ARG A 34 91.792 -6.859 16.283 1.00 0.00 H new ATOM 0 HH22 ARG A 34 92.808 -7.996 17.175 1.00 0.00 H new ATOM 520 N VAL A 35 87.063 -5.917 12.112 1.00 0.00 N ATOM 521 CA VAL A 35 85.932 -6.470 11.306 1.00 0.00 C ATOM 522 C VAL A 35 86.211 -7.908 10.895 1.00 0.00 C ATOM 523 O VAL A 35 87.149 -8.537 11.342 1.00 0.00 O ATOM 524 CB VAL A 35 85.776 -5.642 10.033 1.00 0.00 C ATOM 525 CG1 VAL A 35 85.309 -4.234 10.393 1.00 0.00 C ATOM 526 CG2 VAL A 35 87.120 -5.564 9.301 1.00 0.00 C ATOM 0 H VAL A 35 87.991 -6.092 11.726 1.00 0.00 H new ATOM 0 HA VAL A 35 85.029 -6.435 11.915 1.00 0.00 H new ATOM 0 HB VAL A 35 85.038 -6.114 9.384 1.00 0.00 H new ATOM 0 HG11 VAL A 35 85.198 -3.644 9.483 1.00 0.00 H new ATOM 0 HG12 VAL A 35 84.350 -4.289 10.909 1.00 0.00 H new ATOM 0 HG13 VAL A 35 86.045 -3.762 11.044 1.00 0.00 H new ATOM 0 HG21 VAL A 35 87.006 -4.972 8.393 1.00 0.00 H new ATOM 0 HG22 VAL A 35 87.860 -5.095 9.949 1.00 0.00 H new ATOM 0 HG23 VAL A 35 87.451 -6.569 9.040 1.00 0.00 H new ATOM 536 N THR A 36 85.392 -8.414 10.016 1.00 0.00 N ATOM 537 CA THR A 36 85.565 -9.796 9.511 1.00 0.00 C ATOM 538 C THR A 36 85.143 -9.796 8.045 1.00 0.00 C ATOM 539 O THR A 36 84.628 -8.819 7.543 1.00 0.00 O ATOM 540 CB THR A 36 84.676 -10.758 10.309 1.00 0.00 C ATOM 541 OG1 THR A 36 83.432 -10.134 10.583 1.00 0.00 O ATOM 542 CG2 THR A 36 85.354 -11.123 11.624 1.00 0.00 C ATOM 0 H THR A 36 84.595 -7.914 9.621 1.00 0.00 H new ATOM 0 HA THR A 36 86.600 -10.121 9.617 1.00 0.00 H new ATOM 0 HB THR A 36 84.515 -11.663 9.723 1.00 0.00 H new ATOM 0 HG1 THR A 36 82.863 -10.749 11.091 1.00 0.00 H new ATOM 0 HG21 THR A 36 84.716 -11.806 12.185 1.00 0.00 H new ATOM 0 HG22 THR A 36 86.310 -11.605 11.419 1.00 0.00 H new ATOM 0 HG23 THR A 36 85.521 -10.219 12.210 1.00 0.00 H new ATOM 550 N GLY A 37 85.350 -10.868 7.349 1.00 0.00 N ATOM 551 CA GLY A 37 84.947 -10.895 5.922 1.00 0.00 C ATOM 552 C GLY A 37 83.443 -11.111 5.838 1.00 0.00 C ATOM 553 O GLY A 37 82.953 -11.882 5.037 1.00 0.00 O ATOM 0 H GLY A 37 85.778 -11.724 7.701 1.00 0.00 H new ATOM 0 HA2 GLY A 37 85.221 -9.959 5.435 1.00 0.00 H new ATOM 0 HA3 GLY A 37 85.472 -11.693 5.397 1.00 0.00 H new ATOM 557 N GLU A 38 82.704 -10.425 6.668 1.00 0.00 N ATOM 558 CA GLU A 38 81.225 -10.564 6.660 1.00 0.00 C ATOM 559 C GLU A 38 80.600 -9.192 6.917 1.00 0.00 C ATOM 560 O GLU A 38 79.398 -9.057 7.023 1.00 0.00 O ATOM 561 CB GLU A 38 80.800 -11.545 7.758 1.00 0.00 C ATOM 562 CG GLU A 38 80.856 -10.869 9.146 1.00 0.00 C ATOM 563 CD GLU A 38 79.501 -10.229 9.475 1.00 0.00 C ATOM 564 OE1 GLU A 38 79.460 -9.019 9.624 1.00 0.00 O ATOM 565 OE2 GLU A 38 78.531 -10.962 9.571 1.00 0.00 O ATOM 0 H GLU A 38 83.069 -9.768 7.357 1.00 0.00 H new ATOM 0 HA GLU A 38 80.889 -10.944 5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 38 79.789 -11.902 7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.454 -12.417 7.746 1.00 0.00 H new ATOM 0 HG2 GLU A 38 81.114 -11.605 9.908 1.00 0.00 H new ATOM 0 HG3 GLU A 38 81.638 -10.110 9.158 1.00 0.00 H new ATOM 572 N VAL A 39 81.409 -8.166 7.020 1.00 0.00 N ATOM 573 CA VAL A 39 80.856 -6.808 7.272 1.00 0.00 C ATOM 574 C VAL A 39 80.570 -6.102 5.947 1.00 0.00 C ATOM 575 O VAL A 39 81.386 -6.080 5.056 1.00 0.00 O ATOM 576 CB VAL A 39 81.859 -5.995 8.096 1.00 0.00 C ATOM 577 CG1 VAL A 39 82.398 -6.879 9.220 1.00 0.00 C ATOM 578 CG2 VAL A 39 83.018 -5.500 7.213 1.00 0.00 C ATOM 0 H VAL A 39 82.425 -8.214 6.940 1.00 0.00 H new ATOM 0 HA VAL A 39 79.922 -6.897 7.827 1.00 0.00 H new ATOM 0 HB VAL A 39 81.359 -5.121 8.513 1.00 0.00 H new ATOM 0 HG11 VAL A 39 83.114 -6.313 9.816 1.00 0.00 H new ATOM 0 HG12 VAL A 39 81.574 -7.203 9.855 1.00 0.00 H new ATOM 0 HG13 VAL A 39 82.891 -7.752 8.792 1.00 0.00 H new ATOM 0 HG21 VAL A 39 83.718 -4.925 7.820 1.00 0.00 H new ATOM 0 HG22 VAL A 39 83.534 -6.355 6.777 1.00 0.00 H new ATOM 0 HG23 VAL A 39 82.625 -4.868 6.416 1.00 0.00 H new ATOM 588 N HIS A 40 79.430 -5.506 5.816 1.00 0.00 N ATOM 589 CA HIS A 40 79.125 -4.790 4.547 1.00 0.00 C ATOM 590 C HIS A 40 79.892 -3.461 4.539 1.00 0.00 C ATOM 591 O HIS A 40 80.059 -2.832 5.565 1.00 0.00 O ATOM 592 CB HIS A 40 77.614 -4.534 4.449 1.00 0.00 C ATOM 593 CG HIS A 40 76.871 -5.688 5.066 1.00 0.00 C ATOM 594 ND1 HIS A 40 76.767 -6.920 4.440 1.00 0.00 N ATOM 595 CD2 HIS A 40 76.192 -5.813 6.253 1.00 0.00 C ATOM 596 CE1 HIS A 40 76.051 -7.726 5.245 1.00 0.00 C ATOM 597 NE2 HIS A 40 75.675 -7.100 6.364 1.00 0.00 N ATOM 0 H HIS A 40 78.696 -5.479 6.524 1.00 0.00 H new ATOM 0 HA HIS A 40 79.430 -5.393 3.691 1.00 0.00 H new ATOM 0 HB2 HIS A 40 77.357 -3.606 4.961 1.00 0.00 H new ATOM 0 HB3 HIS A 40 77.321 -4.414 3.406 1.00 0.00 H new ATOM 0 HD1 HIS A 40 77.162 -7.170 3.533 1.00 0.00 H new ATOM 0 HD2 HIS A 40 76.077 -5.031 6.989 1.00 0.00 H new ATOM 0 HE1 HIS A 40 75.810 -8.753 5.015 1.00 0.00 H new ATOM 605 N ILE A 41 80.365 -3.028 3.399 1.00 0.00 N ATOM 606 CA ILE A 41 81.119 -1.737 3.354 1.00 0.00 C ATOM 607 C ILE A 41 80.321 -0.669 4.085 1.00 0.00 C ATOM 608 O ILE A 41 80.820 0.016 4.956 1.00 0.00 O ATOM 609 CB ILE A 41 81.296 -1.283 1.911 1.00 0.00 C ATOM 610 CG1 ILE A 41 82.085 -2.328 1.126 1.00 0.00 C ATOM 611 CG2 ILE A 41 82.049 0.049 1.882 1.00 0.00 C ATOM 612 CD1 ILE A 41 81.969 -2.020 -0.367 1.00 0.00 C ATOM 0 H ILE A 41 80.264 -3.507 2.504 1.00 0.00 H new ATOM 0 HA ILE A 41 82.093 -1.884 3.820 1.00 0.00 H new ATOM 0 HB ILE A 41 80.314 -1.160 1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 41 83.131 -2.319 1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 41 81.700 -3.326 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 41 82.175 0.373 0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 41 81.481 0.800 2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 41 83.028 -0.076 2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 41 82.530 -2.762 -0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 41 80.921 -2.051 -0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 41 82.374 -1.028 -0.566 1.00 0.00 H new ATOM 624 N GLY A 42 79.077 -0.526 3.731 1.00 0.00 N ATOM 625 CA GLY A 42 78.230 0.494 4.397 1.00 0.00 C ATOM 626 C GLY A 42 78.305 0.270 5.896 1.00 0.00 C ATOM 627 O GLY A 42 77.958 1.121 6.692 1.00 0.00 O ATOM 0 H GLY A 42 78.611 -1.073 3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 42 78.575 1.497 4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 42 77.199 0.415 4.052 1.00 0.00 H new ATOM 631 N GLY A 43 78.773 -0.878 6.278 1.00 0.00 N ATOM 632 CA GLY A 43 78.900 -1.196 7.723 1.00 0.00 C ATOM 633 C GLY A 43 80.234 -0.654 8.236 1.00 0.00 C ATOM 634 O GLY A 43 80.390 -0.360 9.400 1.00 0.00 O ATOM 0 H GLY A 43 79.077 -1.619 5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 43 78.074 -0.753 8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 43 78.847 -2.274 7.878 1.00 0.00 H new ATOM 638 N VAL A 44 81.193 -0.519 7.365 1.00 0.00 N ATOM 639 CA VAL A 44 82.527 0.002 7.781 1.00 0.00 C ATOM 640 C VAL A 44 82.475 1.531 7.852 1.00 0.00 C ATOM 641 O VAL A 44 82.865 2.119 8.841 1.00 0.00 O ATOM 642 CB VAL A 44 83.584 -0.451 6.761 1.00 0.00 C ATOM 643 CG1 VAL A 44 84.885 0.339 6.952 1.00 0.00 C ATOM 644 CG2 VAL A 44 83.869 -1.940 6.963 1.00 0.00 C ATOM 0 H VAL A 44 81.111 -0.749 6.375 1.00 0.00 H new ATOM 0 HA VAL A 44 82.791 -0.387 8.764 1.00 0.00 H new ATOM 0 HB VAL A 44 83.205 -0.272 5.755 1.00 0.00 H new ATOM 0 HG11 VAL A 44 85.623 0.006 6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 44 84.689 1.402 6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 44 85.268 0.171 7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 44 84.618 -2.268 6.242 1.00 0.00 H new ATOM 0 HG22 VAL A 44 84.241 -2.105 7.974 1.00 0.00 H new ATOM 0 HG23 VAL A 44 82.951 -2.509 6.817 1.00 0.00 H new ATOM 654 N MET A 45 81.991 2.188 6.829 1.00 0.00 N ATOM 655 CA MET A 45 81.925 3.671 6.896 1.00 0.00 C ATOM 656 C MET A 45 81.132 4.063 8.141 1.00 0.00 C ATOM 657 O MET A 45 81.482 4.987 8.848 1.00 0.00 O ATOM 658 CB MET A 45 81.246 4.254 5.639 1.00 0.00 C ATOM 659 CG MET A 45 80.101 3.339 5.124 1.00 0.00 C ATOM 660 SD MET A 45 78.549 4.298 5.018 1.00 0.00 S ATOM 661 CE MET A 45 77.988 3.851 3.346 1.00 0.00 C ATOM 0 H MET A 45 81.645 1.767 5.966 1.00 0.00 H new ATOM 0 HA MET A 45 82.937 4.073 6.945 1.00 0.00 H new ATOM 0 HB2 MET A 45 80.847 5.242 5.867 1.00 0.00 H new ATOM 0 HB3 MET A 45 81.989 4.384 4.852 1.00 0.00 H new ATOM 0 HG2 MET A 45 80.358 2.935 4.145 1.00 0.00 H new ATOM 0 HG3 MET A 45 79.971 2.490 5.795 1.00 0.00 H new ATOM 0 HE1 MET A 45 77.658 4.747 2.821 1.00 0.00 H new ATOM 0 HE2 MET A 45 78.810 3.392 2.797 1.00 0.00 H new ATOM 0 HE3 MET A 45 77.160 3.146 3.416 1.00 0.00 H new ATOM 671 N LEU A 46 80.067 3.362 8.421 1.00 0.00 N ATOM 672 CA LEU A 46 79.262 3.694 9.628 1.00 0.00 C ATOM 673 C LEU A 46 80.189 3.797 10.836 1.00 0.00 C ATOM 674 O LEU A 46 80.257 4.812 11.498 1.00 0.00 O ATOM 675 CB LEU A 46 78.223 2.588 9.879 1.00 0.00 C ATOM 676 CG LEU A 46 77.393 2.905 11.164 1.00 0.00 C ATOM 677 CD1 LEU A 46 75.902 2.581 10.941 1.00 0.00 C ATOM 678 CD2 LEU A 46 77.913 2.072 12.353 1.00 0.00 C ATOM 0 H LEU A 46 79.722 2.577 7.868 1.00 0.00 H new ATOM 0 HA LEU A 46 78.749 4.643 9.472 1.00 0.00 H new ATOM 0 HB2 LEU A 46 77.558 2.503 9.020 1.00 0.00 H new ATOM 0 HB3 LEU A 46 78.725 1.627 9.990 1.00 0.00 H new ATOM 0 HG LEU A 46 77.503 3.967 11.383 1.00 0.00 H new ATOM 0 HD11 LEU A 46 75.341 2.809 11.847 1.00 0.00 H new ATOM 0 HD12 LEU A 46 75.519 3.182 10.116 1.00 0.00 H new ATOM 0 HD13 LEU A 46 75.791 1.523 10.702 1.00 0.00 H new ATOM 0 HD21 LEU A 46 77.326 2.302 13.243 1.00 0.00 H new ATOM 0 HD22 LEU A 46 77.821 1.011 12.122 1.00 0.00 H new ATOM 0 HD23 LEU A 46 78.960 2.314 12.536 1.00 0.00 H new ATOM 690 N LYS A 47 80.895 2.744 11.132 1.00 0.00 N ATOM 691 CA LYS A 47 81.808 2.763 12.309 1.00 0.00 C ATOM 692 C LYS A 47 82.742 3.982 12.248 1.00 0.00 C ATOM 693 O LYS A 47 82.805 4.756 13.180 1.00 0.00 O ATOM 694 CB LYS A 47 82.620 1.474 12.336 1.00 0.00 C ATOM 695 CG LYS A 47 81.667 0.283 12.305 1.00 0.00 C ATOM 696 CD LYS A 47 82.463 -1.018 12.178 1.00 0.00 C ATOM 697 CE LYS A 47 81.499 -2.194 12.012 1.00 0.00 C ATOM 698 NZ LYS A 47 80.771 -2.427 13.291 1.00 0.00 N ATOM 0 H LYS A 47 80.880 1.868 10.609 1.00 0.00 H new ATOM 0 HA LYS A 47 81.215 2.837 13.221 1.00 0.00 H new ATOM 0 HB2 LYS A 47 83.296 1.437 11.481 1.00 0.00 H new ATOM 0 HB3 LYS A 47 83.238 1.438 13.233 1.00 0.00 H new ATOM 0 HG2 LYS A 47 81.065 0.264 13.214 1.00 0.00 H new ATOM 0 HG3 LYS A 47 80.977 0.380 11.467 1.00 0.00 H new ATOM 0 HD2 LYS A 47 83.136 -0.963 11.322 1.00 0.00 H new ATOM 0 HD3 LYS A 47 83.083 -1.165 13.062 1.00 0.00 H new ATOM 0 HE2 LYS A 47 80.790 -1.986 11.211 1.00 0.00 H new ATOM 0 HE3 LYS A 47 82.049 -3.091 11.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 80.259 -3.331 13.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 81.451 -2.459 14.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 80.093 -1.654 13.451 1.00 0.00 H new ATOM 712 N LEU A 48 83.472 4.172 11.171 1.00 0.00 N ATOM 713 CA LEU A 48 84.385 5.365 11.096 1.00 0.00 C ATOM 714 C LEU A 48 83.621 6.603 11.576 1.00 0.00 C ATOM 715 O LEU A 48 83.976 7.233 12.551 1.00 0.00 O ATOM 716 CB LEU A 48 84.850 5.603 9.635 1.00 0.00 C ATOM 717 CG LEU A 48 86.180 4.890 9.325 1.00 0.00 C ATOM 718 CD1 LEU A 48 87.318 5.381 10.235 1.00 0.00 C ATOM 719 CD2 LEU A 48 85.984 3.391 9.476 1.00 0.00 C ATOM 0 H LEU A 48 83.477 3.564 10.352 1.00 0.00 H new ATOM 0 HA LEU A 48 85.258 5.183 11.723 1.00 0.00 H new ATOM 0 HB2 LEU A 48 84.081 5.249 8.948 1.00 0.00 H new ATOM 0 HB3 LEU A 48 84.964 6.673 9.461 1.00 0.00 H new ATOM 0 HG LEU A 48 86.469 5.125 8.301 1.00 0.00 H new ATOM 0 HD11 LEU A 48 88.238 4.853 9.984 1.00 0.00 H new ATOM 0 HD12 LEU A 48 87.463 6.452 10.091 1.00 0.00 H new ATOM 0 HD13 LEU A 48 87.061 5.187 11.276 1.00 0.00 H new ATOM 0 HD21 LEU A 48 86.921 2.878 9.258 1.00 0.00 H new ATOM 0 HD22 LEU A 48 85.675 3.165 10.497 1.00 0.00 H new ATOM 0 HD23 LEU A 48 85.215 3.053 8.781 1.00 0.00 H new ATOM 731 N VAL A 49 82.575 6.947 10.890 1.00 0.00 N ATOM 732 CA VAL A 49 81.780 8.132 11.287 1.00 0.00 C ATOM 733 C VAL A 49 81.394 8.013 12.763 1.00 0.00 C ATOM 734 O VAL A 49 81.591 8.928 13.522 1.00 0.00 O ATOM 735 CB VAL A 49 80.539 8.202 10.397 1.00 0.00 C ATOM 736 CG1 VAL A 49 79.649 9.388 10.785 1.00 0.00 C ATOM 737 CG2 VAL A 49 81.004 8.377 8.951 1.00 0.00 C ATOM 0 H VAL A 49 82.234 6.454 10.065 1.00 0.00 H new ATOM 0 HA VAL A 49 82.360 9.047 11.161 1.00 0.00 H new ATOM 0 HB VAL A 49 79.958 7.288 10.517 1.00 0.00 H new ATOM 0 HG11 VAL A 49 78.774 9.414 10.136 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.329 9.279 11.821 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.210 10.316 10.674 1.00 0.00 H new ATOM 0 HG21 VAL A 49 80.136 8.430 8.294 1.00 0.00 H new ATOM 0 HG22 VAL A 49 81.582 9.297 8.864 1.00 0.00 H new ATOM 0 HG23 VAL A 49 81.626 7.529 8.664 1.00 0.00 H new ATOM 747 N GLU A 50 80.854 6.900 13.185 1.00 0.00 N ATOM 748 CA GLU A 50 80.472 6.768 14.626 1.00 0.00 C ATOM 749 C GLU A 50 81.618 7.270 15.513 1.00 0.00 C ATOM 750 O GLU A 50 81.401 7.933 16.507 1.00 0.00 O ATOM 751 CB GLU A 50 80.177 5.304 14.961 1.00 0.00 C ATOM 752 CG GLU A 50 78.842 4.891 14.339 1.00 0.00 C ATOM 753 CD GLU A 50 77.699 5.581 15.084 1.00 0.00 C ATOM 754 OE1 GLU A 50 77.797 5.700 16.294 1.00 0.00 O ATOM 755 OE2 GLU A 50 76.747 5.980 14.434 1.00 0.00 O ATOM 0 H GLU A 50 80.662 6.084 12.604 1.00 0.00 H new ATOM 0 HA GLU A 50 79.579 7.365 14.809 1.00 0.00 H new ATOM 0 HB2 GLU A 50 80.977 4.667 14.585 1.00 0.00 H new ATOM 0 HB3 GLU A 50 80.143 5.168 16.042 1.00 0.00 H new ATOM 0 HG2 GLU A 50 78.820 5.164 13.284 1.00 0.00 H new ATOM 0 HG3 GLU A 50 78.723 3.809 14.391 1.00 0.00 H new ATOM 762 N LYS A 51 82.834 6.958 15.158 1.00 0.00 N ATOM 763 CA LYS A 51 83.992 7.413 15.973 1.00 0.00 C ATOM 764 C LYS A 51 84.164 8.938 15.853 1.00 0.00 C ATOM 765 O LYS A 51 84.160 9.651 16.838 1.00 0.00 O ATOM 766 CB LYS A 51 85.252 6.714 15.455 1.00 0.00 C ATOM 767 CG LYS A 51 85.106 5.199 15.633 1.00 0.00 C ATOM 768 CD LYS A 51 86.196 4.473 14.856 1.00 0.00 C ATOM 769 CE LYS A 51 86.108 2.992 15.184 1.00 0.00 C ATOM 770 NZ LYS A 51 84.805 2.452 14.708 1.00 0.00 N ATOM 0 H LYS A 51 83.075 6.405 14.335 1.00 0.00 H new ATOM 0 HA LYS A 51 83.822 7.165 17.021 1.00 0.00 H new ATOM 0 HB2 LYS A 51 85.407 6.954 14.403 1.00 0.00 H new ATOM 0 HB3 LYS A 51 86.128 7.072 15.996 1.00 0.00 H new ATOM 0 HG2 LYS A 51 85.169 4.942 16.690 1.00 0.00 H new ATOM 0 HG3 LYS A 51 84.125 4.877 15.285 1.00 0.00 H new ATOM 0 HD2 LYS A 51 86.070 4.633 13.785 1.00 0.00 H new ATOM 0 HD3 LYS A 51 87.178 4.864 15.124 1.00 0.00 H new ATOM 0 HE2 LYS A 51 86.930 2.455 14.711 1.00 0.00 H new ATOM 0 HE3 LYS A 51 86.205 2.841 16.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 84.880 1.422 14.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 84.065 2.663 15.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 84.558 2.893 13.799 1.00 0.00 H new ATOM 784 N LEU A 52 84.334 9.436 14.654 1.00 0.00 N ATOM 785 CA LEU A 52 84.532 10.899 14.436 1.00 0.00 C ATOM 786 C LEU A 52 83.298 11.486 13.745 1.00 0.00 C ATOM 787 O LEU A 52 83.379 12.269 12.823 1.00 0.00 O ATOM 788 CB LEU A 52 85.706 11.050 13.505 1.00 0.00 C ATOM 789 CG LEU A 52 86.247 12.483 13.557 1.00 0.00 C ATOM 790 CD1 LEU A 52 86.847 12.780 14.950 1.00 0.00 C ATOM 791 CD2 LEU A 52 87.324 12.673 12.469 1.00 0.00 C ATOM 0 H LEU A 52 84.344 8.877 13.801 1.00 0.00 H new ATOM 0 HA LEU A 52 84.695 11.410 15.385 1.00 0.00 H new ATOM 0 HB2 LEU A 52 86.492 10.347 13.783 1.00 0.00 H new ATOM 0 HB3 LEU A 52 85.405 10.805 12.487 1.00 0.00 H new ATOM 0 HG LEU A 52 85.426 13.177 13.376 1.00 0.00 H new ATOM 0 HD11 LEU A 52 87.227 13.801 14.972 1.00 0.00 H new ATOM 0 HD12 LEU A 52 86.075 12.664 15.711 1.00 0.00 H new ATOM 0 HD13 LEU A 52 87.662 12.085 15.151 1.00 0.00 H new ATOM 0 HD21 LEU A 52 87.706 13.693 12.509 1.00 0.00 H new ATOM 0 HD22 LEU A 52 88.141 11.972 12.640 1.00 0.00 H new ATOM 0 HD23 LEU A 52 86.887 12.488 11.488 1.00 0.00 H new ATOM 803 N ASP A 53 82.183 11.075 14.172 1.00 0.00 N ATOM 804 CA ASP A 53 80.908 11.534 13.577 1.00 0.00 C ATOM 805 C ASP A 53 80.888 13.034 13.544 1.00 0.00 C ATOM 806 O ASP A 53 81.238 13.663 12.571 1.00 0.00 O ATOM 807 CB ASP A 53 79.742 11.036 14.434 1.00 0.00 C ATOM 808 CG ASP A 53 78.426 11.597 13.892 1.00 0.00 C ATOM 809 OD1 ASP A 53 77.444 11.553 14.615 1.00 0.00 O ATOM 810 OD2 ASP A 53 78.421 12.061 12.764 1.00 0.00 O ATOM 0 H ASP A 53 82.076 10.412 14.940 1.00 0.00 H new ATOM 0 HA ASP A 53 80.815 11.142 12.564 1.00 0.00 H new ATOM 0 HB2 ASP A 53 79.714 9.946 14.428 1.00 0.00 H new ATOM 0 HB3 ASP A 53 79.881 11.346 15.470 1.00 0.00 H new ATOM 815 N VAL A 54 80.490 13.583 14.626 1.00 0.00 N ATOM 816 CA VAL A 54 80.416 15.053 14.775 1.00 0.00 C ATOM 817 C VAL A 54 79.819 15.699 13.521 1.00 0.00 C ATOM 818 O VAL A 54 79.458 15.034 12.572 1.00 0.00 O ATOM 819 CB VAL A 54 81.818 15.593 15.104 1.00 0.00 C ATOM 820 CG1 VAL A 54 82.793 15.361 13.944 1.00 0.00 C ATOM 821 CG2 VAL A 54 81.745 17.093 15.427 1.00 0.00 C ATOM 0 H VAL A 54 80.199 13.062 15.453 1.00 0.00 H new ATOM 0 HA VAL A 54 79.749 15.311 15.598 1.00 0.00 H new ATOM 0 HB VAL A 54 82.188 15.051 15.974 1.00 0.00 H new ATOM 0 HG11 VAL A 54 83.774 15.754 14.209 1.00 0.00 H new ATOM 0 HG12 VAL A 54 82.872 14.293 13.744 1.00 0.00 H new ATOM 0 HG13 VAL A 54 82.426 15.871 13.053 1.00 0.00 H new ATOM 0 HG21 VAL A 54 82.743 17.464 15.658 1.00 0.00 H new ATOM 0 HG22 VAL A 54 81.348 17.632 14.567 1.00 0.00 H new ATOM 0 HG23 VAL A 54 81.092 17.249 16.286 1.00 0.00 H new ATOM 831 N LYS A 55 79.679 16.992 13.516 1.00 0.00 N ATOM 832 CA LYS A 55 79.087 17.659 12.326 1.00 0.00 C ATOM 833 C LYS A 55 80.158 17.728 11.234 1.00 0.00 C ATOM 834 O LYS A 55 80.172 18.628 10.417 1.00 0.00 O ATOM 835 CB LYS A 55 78.595 19.079 12.724 1.00 0.00 C ATOM 836 CG LYS A 55 77.043 19.193 12.652 1.00 0.00 C ATOM 837 CD LYS A 55 76.616 19.819 11.314 1.00 0.00 C ATOM 838 CE LYS A 55 75.090 19.960 11.269 1.00 0.00 C ATOM 839 NZ LYS A 55 74.684 21.193 11.999 1.00 0.00 N ATOM 0 H LYS A 55 79.947 17.614 14.279 1.00 0.00 H new ATOM 0 HA LYS A 55 78.230 17.100 11.950 1.00 0.00 H new ATOM 0 HB2 LYS A 55 78.930 19.310 13.735 1.00 0.00 H new ATOM 0 HB3 LYS A 55 79.045 19.819 12.062 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.594 18.206 12.759 1.00 0.00 H new ATOM 0 HG3 LYS A 55 76.677 19.801 13.479 1.00 0.00 H new ATOM 0 HD2 LYS A 55 77.084 20.796 11.193 1.00 0.00 H new ATOM 0 HD3 LYS A 55 76.957 19.198 10.486 1.00 0.00 H new ATOM 0 HE2 LYS A 55 74.749 20.008 10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 55 74.620 19.086 11.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 73.649 21.289 11.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 74.997 21.129 12.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 75.122 22.022 11.550 1.00 0.00 H new ATOM 853 N LYS A 56 81.055 16.775 11.204 1.00 0.00 N ATOM 854 CA LYS A 56 82.110 16.804 10.147 1.00 0.00 C ATOM 855 C LYS A 56 81.522 16.273 8.842 1.00 0.00 C ATOM 856 O LYS A 56 80.788 15.304 8.823 1.00 0.00 O ATOM 857 CB LYS A 56 83.312 15.955 10.570 1.00 0.00 C ATOM 858 CG LYS A 56 84.305 15.820 9.399 1.00 0.00 C ATOM 859 CD LYS A 56 85.711 15.533 9.946 1.00 0.00 C ATOM 860 CE LYS A 56 86.685 15.271 8.792 1.00 0.00 C ATOM 861 NZ LYS A 56 86.161 14.179 7.923 1.00 0.00 N ATOM 0 H LYS A 56 81.103 15.991 11.854 1.00 0.00 H new ATOM 0 HA LYS A 56 82.451 17.829 10.003 1.00 0.00 H new ATOM 0 HB2 LYS A 56 83.807 16.413 11.426 1.00 0.00 H new ATOM 0 HB3 LYS A 56 82.976 14.968 10.887 1.00 0.00 H new ATOM 0 HG2 LYS A 56 83.991 15.015 8.734 1.00 0.00 H new ATOM 0 HG3 LYS A 56 84.314 16.736 8.809 1.00 0.00 H new ATOM 0 HD2 LYS A 56 86.058 16.379 10.539 1.00 0.00 H new ATOM 0 HD3 LYS A 56 85.681 14.669 10.610 1.00 0.00 H new ATOM 0 HE2 LYS A 56 86.821 16.180 8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 56 87.663 14.996 9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 86.957 13.643 7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 85.565 13.541 8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 85.596 14.589 7.153 1.00 0.00 H new ATOM 875 N ASP A 57 81.829 16.916 7.754 1.00 0.00 N ATOM 876 CA ASP A 57 81.280 16.476 6.439 1.00 0.00 C ATOM 877 C ASP A 57 81.525 14.987 6.241 1.00 0.00 C ATOM 878 O ASP A 57 82.650 14.551 6.093 1.00 0.00 O ATOM 879 CB ASP A 57 81.968 17.245 5.314 1.00 0.00 C ATOM 880 CG ASP A 57 81.159 17.107 4.023 1.00 0.00 C ATOM 881 OD1 ASP A 57 81.488 17.788 3.066 1.00 0.00 O ATOM 882 OD2 ASP A 57 80.224 16.323 4.013 1.00 0.00 O ATOM 0 H ASP A 57 82.440 17.732 7.716 1.00 0.00 H new ATOM 0 HA ASP A 57 80.208 16.672 6.423 1.00 0.00 H new ATOM 0 HB2 ASP A 57 82.062 18.297 5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 57 82.978 16.863 5.164 1.00 0.00 H new ATOM 887 N TRP A 58 80.478 14.203 6.234 1.00 0.00 N ATOM 888 CA TRP A 58 80.625 12.739 6.041 1.00 0.00 C ATOM 889 C TRP A 58 79.708 12.270 4.901 1.00 0.00 C ATOM 890 O TRP A 58 79.898 11.229 4.322 1.00 0.00 O ATOM 891 CB TRP A 58 80.202 12.031 7.321 1.00 0.00 C ATOM 892 CG TRP A 58 81.213 12.222 8.419 1.00 0.00 C ATOM 893 CD1 TRP A 58 80.889 12.622 9.670 1.00 0.00 C ATOM 894 CD2 TRP A 58 82.674 12.033 8.419 1.00 0.00 C ATOM 895 NE1 TRP A 58 82.033 12.687 10.436 1.00 0.00 N ATOM 896 CE2 TRP A 58 83.156 12.349 9.715 1.00 0.00 C ATOM 897 CE3 TRP A 58 83.627 11.631 7.451 1.00 0.00 C ATOM 898 CZ2 TRP A 58 84.509 12.275 10.034 1.00 0.00 C ATOM 899 CZ3 TRP A 58 84.989 11.557 7.778 1.00 0.00 C ATOM 900 CH2 TRP A 58 85.429 11.882 9.065 1.00 0.00 C ATOM 0 H TRP A 58 79.518 14.524 6.356 1.00 0.00 H new ATOM 0 HA TRP A 58 81.662 12.509 5.797 1.00 0.00 H new ATOM 0 HB2 TRP A 58 79.234 12.413 7.646 1.00 0.00 H new ATOM 0 HB3 TRP A 58 80.075 10.967 7.124 1.00 0.00 H new ATOM 0 HD1 TRP A 58 79.892 12.854 10.014 1.00 0.00 H new ATOM 0 HE1 TRP A 58 82.046 12.954 11.420 1.00 0.00 H new ATOM 0 HE3 TRP A 58 83.302 11.379 6.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 84.844 12.522 11.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 85.703 11.247 7.030 1.00 0.00 H new ATOM 0 HH2 TRP A 58 86.480 11.828 9.307 1.00 0.00 H new ATOM 911 N SER A 59 78.706 13.029 4.602 1.00 0.00 N ATOM 912 CA SER A 59 77.735 12.647 3.526 1.00 0.00 C ATOM 913 C SER A 59 78.451 12.022 2.324 1.00 0.00 C ATOM 914 O SER A 59 78.095 10.960 1.854 1.00 0.00 O ATOM 915 CB SER A 59 77.015 13.908 3.049 1.00 0.00 C ATOM 916 OG SER A 59 75.959 13.546 2.170 1.00 0.00 O ATOM 0 H SER A 59 78.504 13.918 5.060 1.00 0.00 H new ATOM 0 HA SER A 59 77.036 11.918 3.937 1.00 0.00 H new ATOM 0 HB2 SER A 59 76.620 14.459 3.902 1.00 0.00 H new ATOM 0 HB3 SER A 59 77.716 14.569 2.540 1.00 0.00 H new ATOM 0 HG SER A 59 75.496 14.354 1.865 1.00 0.00 H new ATOM 922 N ASP A 60 79.430 12.696 1.810 1.00 0.00 N ATOM 923 CA ASP A 60 80.164 12.193 0.614 1.00 0.00 C ATOM 924 C ASP A 60 81.257 11.196 1.020 1.00 0.00 C ATOM 925 O ASP A 60 82.135 10.870 0.246 1.00 0.00 O ATOM 926 CB ASP A 60 80.806 13.403 -0.042 1.00 0.00 C ATOM 927 CG ASP A 60 81.720 12.969 -1.191 1.00 0.00 C ATOM 928 OD1 ASP A 60 82.667 13.684 -1.472 1.00 0.00 O ATOM 929 OD2 ASP A 60 81.456 11.927 -1.769 1.00 0.00 O ATOM 0 H ASP A 60 79.763 13.590 2.170 1.00 0.00 H new ATOM 0 HA ASP A 60 79.481 11.678 -0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 60 80.033 14.073 -0.418 1.00 0.00 H new ATOM 0 HB3 ASP A 60 81.381 13.962 0.696 1.00 0.00 H new ATOM 934 N HIS A 61 81.232 10.729 2.227 1.00 0.00 N ATOM 935 CA HIS A 61 82.294 9.784 2.674 1.00 0.00 C ATOM 936 C HIS A 61 82.146 8.410 2.026 1.00 0.00 C ATOM 937 O HIS A 61 81.060 7.945 1.740 1.00 0.00 O ATOM 938 CB HIS A 61 82.248 9.637 4.198 1.00 0.00 C ATOM 939 CG HIS A 61 81.119 8.719 4.618 1.00 0.00 C ATOM 940 ND1 HIS A 61 80.049 9.167 5.372 1.00 0.00 N ATOM 941 CD2 HIS A 61 80.876 7.383 4.392 1.00 0.00 C ATOM 942 CE1 HIS A 61 79.223 8.131 5.571 1.00 0.00 C ATOM 943 NE2 HIS A 61 79.675 7.020 4.994 1.00 0.00 N ATOM 0 H HIS A 61 80.526 10.956 2.927 1.00 0.00 H new ATOM 0 HA HIS A 61 83.254 10.198 2.365 1.00 0.00 H new ATOM 0 HB2 HIS A 61 83.197 9.241 4.558 1.00 0.00 H new ATOM 0 HB3 HIS A 61 82.116 10.616 4.658 1.00 0.00 H new ATOM 0 HD2 HIS A 61 81.519 6.719 3.833 1.00 0.00 H new ATOM 0 HE1 HIS A 61 78.302 8.190 6.132 1.00 0.00 H new ATOM 0 HE2 HIS A 61 79.235 6.100 4.993 1.00 0.00 H new ATOM 951 N ALA A 62 83.256 7.759 1.821 1.00 0.00 N ATOM 952 CA ALA A 62 83.247 6.400 1.220 1.00 0.00 C ATOM 953 C ALA A 62 84.657 5.806 1.340 1.00 0.00 C ATOM 954 O ALA A 62 85.635 6.530 1.416 1.00 0.00 O ATOM 955 CB ALA A 62 82.838 6.501 -0.255 1.00 0.00 C ATOM 0 H ALA A 62 84.183 8.118 2.049 1.00 0.00 H new ATOM 0 HA ALA A 62 82.535 5.758 1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 62 82.830 5.506 -0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 62 81.842 6.938 -0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 62 83.550 7.131 -0.788 1.00 0.00 H new ATOM 961 N LEU A 63 84.781 4.500 1.344 1.00 0.00 N ATOM 962 CA LEU A 63 86.138 3.883 1.438 1.00 0.00 C ATOM 963 C LEU A 63 86.616 3.608 0.011 1.00 0.00 C ATOM 964 O LEU A 63 85.823 3.357 -0.874 1.00 0.00 O ATOM 965 CB LEU A 63 86.083 2.545 2.202 1.00 0.00 C ATOM 966 CG LEU A 63 85.744 2.736 3.685 1.00 0.00 C ATOM 967 CD1 LEU A 63 86.895 3.425 4.423 1.00 0.00 C ATOM 968 CD2 LEU A 63 84.462 3.556 3.840 1.00 0.00 C ATOM 0 H LEU A 63 84.005 3.840 1.287 1.00 0.00 H new ATOM 0 HA LEU A 63 86.809 4.557 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 63 85.338 1.897 1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 63 87.044 2.039 2.113 1.00 0.00 H new ATOM 0 HG LEU A 63 85.590 1.750 4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 63 86.631 3.550 5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 63 87.795 2.814 4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 63 87.080 4.402 3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 63 84.236 3.682 4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 63 84.598 4.534 3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 63 83.637 3.037 3.352 1.00 0.00 H new ATOM 980 N TRP A 64 87.900 3.677 -0.226 1.00 0.00 N ATOM 981 CA TRP A 64 88.440 3.441 -1.611 1.00 0.00 C ATOM 982 C TRP A 64 89.540 2.370 -1.541 1.00 0.00 C ATOM 983 O TRP A 64 90.187 2.201 -0.527 1.00 0.00 O ATOM 984 CB TRP A 64 88.945 4.812 -2.163 1.00 0.00 C ATOM 985 CG TRP A 64 90.411 4.832 -2.513 1.00 0.00 C ATOM 986 CD1 TRP A 64 91.433 4.483 -1.695 1.00 0.00 C ATOM 987 CD2 TRP A 64 91.026 5.277 -3.758 1.00 0.00 C ATOM 988 NE1 TRP A 64 92.627 4.645 -2.374 1.00 0.00 N ATOM 989 CE2 TRP A 64 92.430 5.141 -3.645 1.00 0.00 C ATOM 990 CE3 TRP A 64 90.505 5.770 -4.968 1.00 0.00 C ATOM 991 CZ2 TRP A 64 93.286 5.484 -4.692 1.00 0.00 C ATOM 992 CZ3 TRP A 64 91.363 6.120 -6.023 1.00 0.00 C ATOM 993 CH2 TRP A 64 92.751 5.978 -5.884 1.00 0.00 C ATOM 0 H TRP A 64 88.606 3.887 0.479 1.00 0.00 H new ATOM 0 HA TRP A 64 87.680 3.064 -2.295 1.00 0.00 H new ATOM 0 HB2 TRP A 64 88.367 5.069 -3.051 1.00 0.00 H new ATOM 0 HB3 TRP A 64 88.749 5.585 -1.420 1.00 0.00 H new ATOM 0 HD1 TRP A 64 91.332 4.135 -0.678 1.00 0.00 H new ATOM 0 HE1 TRP A 64 93.542 4.424 -1.982 1.00 0.00 H new ATOM 0 HE3 TRP A 64 89.437 5.880 -5.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 94.354 5.368 -4.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 90.952 6.501 -6.946 1.00 0.00 H new ATOM 0 HH2 TRP A 64 93.406 6.250 -6.698 1.00 0.00 H new ATOM 1004 N TRP A 65 89.733 1.624 -2.605 1.00 0.00 N ATOM 1005 CA TRP A 65 90.782 0.550 -2.607 1.00 0.00 C ATOM 1006 C TRP A 65 91.887 0.948 -3.586 1.00 0.00 C ATOM 1007 O TRP A 65 91.786 0.701 -4.763 1.00 0.00 O ATOM 1008 CB TRP A 65 90.159 -0.778 -3.058 1.00 0.00 C ATOM 1009 CG TRP A 65 91.069 -1.930 -2.719 1.00 0.00 C ATOM 1010 CD1 TRP A 65 92.349 -1.829 -2.272 1.00 0.00 C ATOM 1011 CD2 TRP A 65 90.785 -3.359 -2.801 1.00 0.00 C ATOM 1012 NE1 TRP A 65 92.856 -3.098 -2.072 1.00 0.00 N ATOM 1013 CE2 TRP A 65 91.934 -4.074 -2.386 1.00 0.00 C ATOM 1014 CE3 TRP A 65 89.652 -4.097 -3.191 1.00 0.00 C ATOM 1015 CZ2 TRP A 65 91.960 -5.468 -2.361 1.00 0.00 C ATOM 1016 CZ3 TRP A 65 89.676 -5.501 -3.167 1.00 0.00 C ATOM 1017 CH2 TRP A 65 90.827 -6.185 -2.752 1.00 0.00 C ATOM 0 H TRP A 65 89.208 1.713 -3.475 1.00 0.00 H new ATOM 0 HA TRP A 65 91.193 0.431 -1.604 1.00 0.00 H new ATOM 0 HB2 TRP A 65 89.192 -0.916 -2.574 1.00 0.00 H new ATOM 0 HB3 TRP A 65 89.977 -0.755 -4.132 1.00 0.00 H new ATOM 0 HD1 TRP A 65 92.883 -0.906 -2.101 1.00 0.00 H new ATOM 0 HE1 TRP A 65 93.799 -3.290 -1.733 1.00 0.00 H new ATOM 0 HE3 TRP A 65 88.759 -3.581 -3.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 92.850 -5.990 -2.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 88.802 -6.058 -3.470 1.00 0.00 H new ATOM 0 HH2 TRP A 65 90.838 -7.265 -2.735 1.00 0.00 H new ATOM 1028 N GLU A 66 92.932 1.570 -3.112 1.00 0.00 N ATOM 1029 CA GLU A 66 94.032 1.998 -4.029 1.00 0.00 C ATOM 1030 C GLU A 66 94.573 0.811 -4.820 1.00 0.00 C ATOM 1031 O GLU A 66 95.117 0.978 -5.889 1.00 0.00 O ATOM 1032 CB GLU A 66 95.163 2.618 -3.225 1.00 0.00 C ATOM 1033 CG GLU A 66 95.534 1.688 -2.075 1.00 0.00 C ATOM 1034 CD GLU A 66 96.638 2.329 -1.232 1.00 0.00 C ATOM 1035 OE1 GLU A 66 96.490 3.488 -0.881 1.00 0.00 O ATOM 1036 OE2 GLU A 66 97.613 1.651 -0.953 1.00 0.00 O ATOM 0 H GLU A 66 93.074 1.801 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 66 93.627 2.731 -4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 66 96.029 2.787 -3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 66 94.858 3.590 -2.838 1.00 0.00 H new ATOM 0 HG2 GLU A 66 94.658 1.491 -1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 66 95.872 0.728 -2.465 1.00 0.00 H new ATOM 1043 N LYS A 67 94.426 -0.386 -4.336 1.00 0.00 N ATOM 1044 CA LYS A 67 94.932 -1.533 -5.134 1.00 0.00 C ATOM 1045 C LYS A 67 94.032 -1.629 -6.357 1.00 0.00 C ATOM 1046 O LYS A 67 94.270 -2.380 -7.281 1.00 0.00 O ATOM 1047 CB LYS A 67 94.837 -2.838 -4.340 1.00 0.00 C ATOM 1048 CG LYS A 67 95.469 -2.669 -2.958 1.00 0.00 C ATOM 1049 CD LYS A 67 96.942 -2.278 -3.097 1.00 0.00 C ATOM 1050 CE LYS A 67 97.675 -2.540 -1.771 1.00 0.00 C ATOM 1051 NZ LYS A 67 98.189 -3.939 -1.758 1.00 0.00 N ATOM 0 H LYS A 67 93.989 -0.619 -3.444 1.00 0.00 H new ATOM 0 HA LYS A 67 95.978 -1.382 -5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 67 93.793 -3.132 -4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 67 95.341 -3.638 -4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 67 94.933 -1.904 -2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 67 95.383 -3.598 -2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 67 97.406 -2.851 -3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 67 97.025 -1.225 -3.368 1.00 0.00 H new ATOM 0 HE2 LYS A 67 98.499 -1.837 -1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 67 96.998 -2.382 -0.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 98.685 -4.118 -0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 97.393 -4.602 -1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 98.848 -4.074 -2.551 1.00 0.00 H new ATOM 1065 N LYS A 68 92.974 -0.862 -6.334 1.00 0.00 N ATOM 1066 CA LYS A 68 91.986 -0.858 -7.443 1.00 0.00 C ATOM 1067 C LYS A 68 91.659 0.593 -7.809 1.00 0.00 C ATOM 1068 O LYS A 68 91.020 0.858 -8.808 1.00 0.00 O ATOM 1069 CB LYS A 68 90.692 -1.565 -6.980 1.00 0.00 C ATOM 1070 CG LYS A 68 91.008 -2.733 -6.028 1.00 0.00 C ATOM 1071 CD LYS A 68 91.533 -3.924 -6.832 1.00 0.00 C ATOM 1072 CE LYS A 68 92.198 -4.944 -5.894 1.00 0.00 C ATOM 1073 NZ LYS A 68 92.041 -6.312 -6.465 1.00 0.00 N ATOM 0 H LYS A 68 92.752 -0.223 -5.571 1.00 0.00 H new ATOM 0 HA LYS A 68 92.399 -1.379 -8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 68 90.042 -0.848 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 68 90.147 -1.936 -7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 68 91.749 -2.424 -5.291 1.00 0.00 H new ATOM 0 HG3 LYS A 68 90.112 -3.020 -5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 68 90.713 -4.397 -7.373 1.00 0.00 H new ATOM 0 HD3 LYS A 68 92.251 -3.581 -7.577 1.00 0.00 H new ATOM 0 HE2 LYS A 68 93.255 -4.708 -5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 68 91.744 -4.896 -4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 92.490 -7.006 -5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 91.030 -6.534 -6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 92.494 -6.352 -7.400 1.00 0.00 H new ATOM 1087 N ARG A 69 92.060 1.534 -6.989 1.00 0.00 N ATOM 1088 CA ARG A 69 91.735 2.957 -7.277 1.00 0.00 C ATOM 1089 C ARG A 69 90.232 3.037 -7.505 1.00 0.00 C ATOM 1090 O ARG A 69 89.765 3.633 -8.455 1.00 0.00 O ATOM 1091 CB ARG A 69 92.472 3.442 -8.538 1.00 0.00 C ATOM 1092 CG ARG A 69 93.964 3.701 -8.239 1.00 0.00 C ATOM 1093 CD ARG A 69 94.758 2.403 -8.377 1.00 0.00 C ATOM 1094 NE ARG A 69 94.930 2.075 -9.821 1.00 0.00 N ATOM 1095 CZ ARG A 69 95.191 0.849 -10.186 1.00 0.00 C ATOM 1096 NH1 ARG A 69 95.340 0.563 -11.451 1.00 0.00 N ATOM 1097 NH2 ARG A 69 95.302 -0.091 -9.288 1.00 0.00 N ATOM 0 H ARG A 69 92.597 1.374 -6.136 1.00 0.00 H new ATOM 0 HA ARG A 69 92.046 3.589 -6.445 1.00 0.00 H new ATOM 0 HB2 ARG A 69 92.379 2.696 -9.328 1.00 0.00 H new ATOM 0 HB3 ARG A 69 92.007 4.356 -8.907 1.00 0.00 H new ATOM 0 HG2 ARG A 69 94.356 4.451 -8.926 1.00 0.00 H new ATOM 0 HG3 ARG A 69 94.077 4.101 -7.231 1.00 0.00 H new ATOM 0 HD2 ARG A 69 95.732 2.508 -7.899 1.00 0.00 H new ATOM 0 HD3 ARG A 69 94.239 1.591 -7.868 1.00 0.00 H new ATOM 0 HE ARG A 69 94.844 2.809 -10.524 1.00 0.00 H new ATOM 0 HH11 ARG A 69 95.253 1.297 -12.154 1.00 0.00 H new ATOM 0 HH12 ARG A 69 95.544 -0.395 -11.737 1.00 0.00 H new ATOM 0 HH21 ARG A 69 95.185 0.132 -8.300 1.00 0.00 H new ATOM 0 HH22 ARG A 69 95.506 -1.048 -9.574 1.00 0.00 H new ATOM 1111 N THR A 70 89.474 2.402 -6.645 1.00 0.00 N ATOM 1112 CA THR A 70 87.991 2.387 -6.801 1.00 0.00 C ATOM 1113 C THR A 70 87.338 3.152 -5.664 1.00 0.00 C ATOM 1114 O THR A 70 87.993 3.736 -4.834 1.00 0.00 O ATOM 1115 CB THR A 70 87.518 0.927 -6.762 1.00 0.00 C ATOM 1116 OG1 THR A 70 86.208 0.835 -7.302 1.00 0.00 O ATOM 1117 CG2 THR A 70 87.520 0.391 -5.322 1.00 0.00 C ATOM 0 H THR A 70 89.825 1.890 -5.836 1.00 0.00 H new ATOM 0 HA THR A 70 87.716 2.857 -7.745 1.00 0.00 H new ATOM 0 HB THR A 70 88.205 0.325 -7.357 1.00 0.00 H new ATOM 0 HG1 THR A 70 85.909 -0.098 -7.278 1.00 0.00 H new ATOM 0 HG21 THR A 70 87.181 -0.645 -5.319 1.00 0.00 H new ATOM 0 HG22 THR A 70 88.530 0.444 -4.916 1.00 0.00 H new ATOM 0 HG23 THR A 70 86.850 0.994 -4.709 1.00 0.00 H new ATOM 1125 N TRP A 71 86.040 3.098 -5.613 1.00 0.00 N ATOM 1126 CA TRP A 71 85.273 3.757 -4.527 1.00 0.00 C ATOM 1127 C TRP A 71 84.409 2.657 -3.926 1.00 0.00 C ATOM 1128 O TRP A 71 83.430 2.230 -4.486 1.00 0.00 O ATOM 1129 CB TRP A 71 84.424 4.906 -5.101 1.00 0.00 C ATOM 1130 CG TRP A 71 84.144 4.663 -6.555 1.00 0.00 C ATOM 1131 CD1 TRP A 71 83.417 3.636 -7.053 1.00 0.00 C ATOM 1132 CD2 TRP A 71 84.578 5.445 -7.705 1.00 0.00 C ATOM 1133 NE1 TRP A 71 83.379 3.735 -8.419 1.00 0.00 N ATOM 1134 CE2 TRP A 71 84.076 4.834 -8.878 1.00 0.00 C ATOM 1135 CE3 TRP A 71 85.349 6.614 -7.844 1.00 0.00 C ATOM 1136 CZ2 TRP A 71 84.330 5.362 -10.145 1.00 0.00 C ATOM 1137 CZ3 TRP A 71 85.606 7.148 -9.118 1.00 0.00 C ATOM 1138 CH2 TRP A 71 85.098 6.523 -10.266 1.00 0.00 C ATOM 0 H TRP A 71 85.464 2.610 -6.299 1.00 0.00 H new ATOM 0 HA TRP A 71 85.916 4.206 -3.769 1.00 0.00 H new ATOM 0 HB2 TRP A 71 83.487 4.986 -4.551 1.00 0.00 H new ATOM 0 HB3 TRP A 71 84.949 5.853 -4.977 1.00 0.00 H new ATOM 0 HD1 TRP A 71 82.943 2.862 -6.467 1.00 0.00 H new ATOM 0 HE1 TRP A 71 82.893 3.074 -9.025 1.00 0.00 H new ATOM 0 HE3 TRP A 71 85.745 7.103 -6.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 83.936 4.877 -11.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 86.199 8.046 -9.214 1.00 0.00 H new ATOM 0 HH2 TRP A 71 85.300 6.938 -11.242 1.00 0.00 H new ATOM 1149 N LEU A 72 84.803 2.139 -2.820 1.00 0.00 N ATOM 1150 CA LEU A 72 84.044 1.011 -2.247 1.00 0.00 C ATOM 1151 C LEU A 72 82.617 1.427 -1.921 1.00 0.00 C ATOM 1152 O LEU A 72 82.281 1.786 -0.812 1.00 0.00 O ATOM 1153 CB LEU A 72 84.771 0.514 -1.011 1.00 0.00 C ATOM 1154 CG LEU A 72 86.187 0.077 -1.417 1.00 0.00 C ATOM 1155 CD1 LEU A 72 87.067 -0.053 -0.175 1.00 0.00 C ATOM 1156 CD2 LEU A 72 86.144 -1.258 -2.186 1.00 0.00 C ATOM 0 H LEU A 72 85.616 2.442 -2.283 1.00 0.00 H new ATOM 0 HA LEU A 72 83.981 0.203 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 72 84.819 1.301 -0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 72 84.231 -0.321 -0.565 1.00 0.00 H new ATOM 0 HG LEU A 72 86.612 0.835 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 72 88.069 -0.363 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 72 87.120 0.909 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 72 86.640 -0.797 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.156 -1.550 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 72 85.705 -2.029 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 72 85.540 -1.140 -3.086 1.00 0.00 H new ATOM 1168 N LEU A 73 81.774 1.333 -2.910 1.00 0.00 N ATOM 1169 CA LEU A 73 80.325 1.652 -2.745 1.00 0.00 C ATOM 1170 C LEU A 73 79.554 0.376 -3.077 1.00 0.00 C ATOM 1171 O LEU A 73 78.344 0.367 -3.191 1.00 0.00 O ATOM 1172 CB LEU A 73 79.900 2.810 -3.681 1.00 0.00 C ATOM 1173 CG LEU A 73 80.331 2.561 -5.154 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.207 1.887 -5.955 1.00 0.00 C ATOM 1175 CD2 LEU A 73 80.641 3.901 -5.833 1.00 0.00 C ATOM 0 H LEU A 73 82.034 1.041 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 73 80.116 1.981 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 73 78.818 2.933 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 73 80.341 3.742 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 73 81.208 1.914 -5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 73 79.538 1.726 -6.981 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.959 0.929 -5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.325 2.528 -5.955 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.943 3.725 -6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.752 4.531 -5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 73 81.449 4.401 -5.299 1.00 0.00 H new ATOM 1187 N LYS A 74 80.274 -0.707 -3.241 1.00 0.00 N ATOM 1188 CA LYS A 74 79.641 -2.010 -3.579 1.00 0.00 C ATOM 1189 C LYS A 74 78.954 -2.597 -2.344 1.00 0.00 C ATOM 1190 O LYS A 74 79.252 -3.699 -1.928 1.00 0.00 O ATOM 1191 CB LYS A 74 80.714 -3.005 -4.063 1.00 0.00 C ATOM 1192 CG LYS A 74 81.707 -2.349 -5.053 1.00 0.00 C ATOM 1193 CD LYS A 74 81.124 -2.274 -6.494 1.00 0.00 C ATOM 1194 CE LYS A 74 80.476 -0.918 -6.764 1.00 0.00 C ATOM 1195 NZ LYS A 74 80.284 -0.751 -8.231 1.00 0.00 N ATOM 0 H LYS A 74 81.290 -0.738 -3.152 1.00 0.00 H new ATOM 0 HA LYS A 74 78.906 -1.843 -4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 74 81.261 -3.394 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 74 80.230 -3.855 -4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 74 81.954 -1.345 -4.708 1.00 0.00 H new ATOM 0 HG3 LYS A 74 82.636 -2.919 -5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 74 81.919 -2.450 -7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 74 80.387 -3.065 -6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 74 79.517 -0.851 -6.250 1.00 0.00 H new ATOM 0 HE3 LYS A 74 81.104 -0.117 -6.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 80.137 0.255 -8.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 81.128 -1.094 -8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 79.453 -1.297 -8.537 1.00 0.00 H new ATOM 1209 N THR A 75 78.023 -1.893 -1.766 1.00 0.00 N ATOM 1210 CA THR A 75 77.314 -2.448 -0.579 1.00 0.00 C ATOM 1211 C THR A 75 76.652 -3.767 -1.001 1.00 0.00 C ATOM 1212 O THR A 75 76.081 -4.480 -0.200 1.00 0.00 O ATOM 1213 CB THR A 75 76.247 -1.441 -0.101 1.00 0.00 C ATOM 1214 OG1 THR A 75 76.705 -0.122 -0.362 1.00 0.00 O ATOM 1215 CG2 THR A 75 75.992 -1.597 1.408 1.00 0.00 C ATOM 0 H THR A 75 77.723 -0.964 -2.061 1.00 0.00 H new ATOM 0 HA THR A 75 78.010 -2.626 0.241 1.00 0.00 H new ATOM 0 HB THR A 75 75.317 -1.632 -0.636 1.00 0.00 H new ATOM 0 HG1 THR A 75 76.214 0.512 0.201 1.00 0.00 H new ATOM 0 HG21 THR A 75 75.237 -0.878 1.726 1.00 0.00 H new ATOM 0 HG22 THR A 75 75.641 -2.608 1.615 1.00 0.00 H new ATOM 0 HG23 THR A 75 76.918 -1.416 1.954 1.00 0.00 H new ATOM 1223 N HIS A 76 76.724 -4.069 -2.274 1.00 0.00 N ATOM 1224 CA HIS A 76 76.109 -5.314 -2.824 1.00 0.00 C ATOM 1225 C HIS A 76 76.219 -6.484 -1.846 1.00 0.00 C ATOM 1226 O HIS A 76 75.218 -7.015 -1.405 1.00 0.00 O ATOM 1227 CB HIS A 76 76.816 -5.690 -4.128 1.00 0.00 C ATOM 1228 CG HIS A 76 76.696 -4.559 -5.111 1.00 0.00 C ATOM 1229 ND1 HIS A 76 76.486 -3.250 -4.710 1.00 0.00 N ATOM 1230 CD2 HIS A 76 76.758 -4.526 -6.482 1.00 0.00 C ATOM 1231 CE1 HIS A 76 76.430 -2.490 -5.819 1.00 0.00 C ATOM 1232 NE2 HIS A 76 76.590 -3.219 -6.927 1.00 0.00 N ATOM 0 H HIS A 76 77.195 -3.490 -2.970 1.00 0.00 H new ATOM 0 HA HIS A 76 75.051 -5.116 -2.998 1.00 0.00 H new ATOM 0 HB2 HIS A 76 77.866 -5.907 -3.934 1.00 0.00 H new ATOM 0 HB3 HIS A 76 76.375 -6.596 -4.545 1.00 0.00 H new ATOM 0 HD2 HIS A 76 76.914 -5.385 -7.118 1.00 0.00 H new ATOM 0 HE1 HIS A 76 76.275 -1.421 -5.814 1.00 0.00 H new ATOM 0 HE2 HIS A 76 76.589 -2.888 -7.892 1.00 0.00 H new ATOM 1240 N TRP A 77 77.420 -6.920 -1.527 1.00 0.00 N ATOM 1241 CA TRP A 77 77.576 -8.094 -0.600 1.00 0.00 C ATOM 1242 C TRP A 77 78.591 -7.786 0.529 1.00 0.00 C ATOM 1243 O TRP A 77 78.229 -7.167 1.510 1.00 0.00 O ATOM 1244 CB TRP A 77 77.989 -9.325 -1.439 1.00 0.00 C ATOM 1245 CG TRP A 77 77.329 -10.567 -0.914 1.00 0.00 C ATOM 1246 CD1 TRP A 77 77.158 -10.863 0.395 1.00 0.00 C ATOM 1247 CD2 TRP A 77 76.745 -11.672 -1.663 1.00 0.00 C ATOM 1248 NE1 TRP A 77 76.510 -12.081 0.497 1.00 0.00 N ATOM 1249 CE2 TRP A 77 76.234 -12.619 -0.744 1.00 0.00 C ATOM 1250 CE3 TRP A 77 76.612 -11.943 -3.037 1.00 0.00 C ATOM 1251 CZ2 TRP A 77 75.613 -13.793 -1.172 1.00 0.00 C ATOM 1252 CZ3 TRP A 77 75.987 -13.124 -3.472 1.00 0.00 C ATOM 1253 CH2 TRP A 77 75.488 -14.046 -2.541 1.00 0.00 C ATOM 0 H TRP A 77 78.293 -6.517 -1.866 1.00 0.00 H new ATOM 0 HA TRP A 77 76.630 -8.306 -0.103 1.00 0.00 H new ATOM 0 HB2 TRP A 77 77.710 -9.171 -2.482 1.00 0.00 H new ATOM 0 HB3 TRP A 77 79.072 -9.443 -1.413 1.00 0.00 H new ATOM 0 HD1 TRP A 77 77.475 -10.249 1.225 1.00 0.00 H new ATOM 0 HE1 TRP A 77 76.266 -12.527 1.381 1.00 0.00 H new ATOM 0 HE3 TRP A 77 76.993 -11.239 -3.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 75.232 -14.501 -0.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 75.890 -13.323 -4.529 1.00 0.00 H new ATOM 0 HH2 TRP A 77 75.007 -14.951 -2.881 1.00 0.00 H new ATOM 1264 N THR A 78 79.836 -8.228 0.456 1.00 0.00 N ATOM 1265 CA THR A 78 80.772 -7.950 1.595 1.00 0.00 C ATOM 1266 C THR A 78 82.231 -7.867 1.114 1.00 0.00 C ATOM 1267 O THR A 78 82.525 -7.755 -0.056 1.00 0.00 O ATOM 1268 CB THR A 78 80.621 -9.110 2.617 1.00 0.00 C ATOM 1269 OG1 THR A 78 79.602 -9.986 2.163 1.00 0.00 O ATOM 1270 CG2 THR A 78 80.243 -8.603 4.014 1.00 0.00 C ATOM 0 H THR A 78 80.231 -8.755 -0.323 1.00 0.00 H new ATOM 0 HA THR A 78 80.524 -6.990 2.048 1.00 0.00 H new ATOM 0 HB THR A 78 81.582 -9.619 2.691 1.00 0.00 H new ATOM 0 HG1 THR A 78 79.498 -10.724 2.799 1.00 0.00 H new ATOM 0 HG21 THR A 78 80.148 -9.449 4.695 1.00 0.00 H new ATOM 0 HG22 THR A 78 81.018 -7.929 4.378 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.293 -8.070 3.963 1.00 0.00 H new ATOM 1278 N LEU A 79 83.141 -7.946 2.046 1.00 0.00 N ATOM 1279 CA LEU A 79 84.592 -7.904 1.710 1.00 0.00 C ATOM 1280 C LEU A 79 84.920 -9.194 0.975 1.00 0.00 C ATOM 1281 O LEU A 79 85.395 -9.202 -0.140 1.00 0.00 O ATOM 1282 CB LEU A 79 85.418 -7.887 3.002 1.00 0.00 C ATOM 1283 CG LEU A 79 85.349 -6.524 3.704 1.00 0.00 C ATOM 1284 CD1 LEU A 79 83.895 -6.109 3.897 1.00 0.00 C ATOM 1285 CD2 LEU A 79 86.019 -6.637 5.082 1.00 0.00 C ATOM 0 H LEU A 79 82.937 -8.039 3.041 1.00 0.00 H new ATOM 0 HA LEU A 79 84.816 -7.020 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.054 -8.662 3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 79 86.457 -8.126 2.773 1.00 0.00 H new ATOM 0 HG LEU A 79 85.859 -5.780 3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 79 83.856 -5.141 4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 79 83.405 -6.037 2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 79 83.382 -6.852 4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 79 85.975 -5.673 5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 79 85.498 -7.385 5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 79 87.060 -6.934 4.957 1.00 0.00 H new ATOM 1297 N ASP A 80 84.656 -10.287 1.628 1.00 0.00 N ATOM 1298 CA ASP A 80 84.924 -11.626 1.044 1.00 0.00 C ATOM 1299 C ASP A 80 84.508 -11.670 -0.417 1.00 0.00 C ATOM 1300 O ASP A 80 85.228 -12.158 -1.266 1.00 0.00 O ATOM 1301 CB ASP A 80 84.090 -12.642 1.806 1.00 0.00 C ATOM 1302 CG ASP A 80 84.472 -14.058 1.373 1.00 0.00 C ATOM 1303 OD1 ASP A 80 83.926 -14.522 0.386 1.00 0.00 O ATOM 1304 OD2 ASP A 80 85.305 -14.655 2.035 1.00 0.00 O ATOM 0 H ASP A 80 84.256 -10.308 2.566 1.00 0.00 H new ATOM 0 HA ASP A 80 85.990 -11.843 1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 80 84.248 -12.525 2.878 1.00 0.00 H new ATOM 0 HB3 ASP A 80 83.030 -12.469 1.620 1.00 0.00 H new ATOM 1309 N LYS A 81 83.344 -11.186 -0.717 1.00 0.00 N ATOM 1310 CA LYS A 81 82.879 -11.225 -2.117 1.00 0.00 C ATOM 1311 C LYS A 81 83.836 -10.388 -2.968 1.00 0.00 C ATOM 1312 O LYS A 81 84.031 -10.645 -4.139 1.00 0.00 O ATOM 1313 CB LYS A 81 81.398 -10.758 -2.157 1.00 0.00 C ATOM 1314 CG LYS A 81 81.131 -9.674 -3.222 1.00 0.00 C ATOM 1315 CD LYS A 81 81.458 -8.295 -2.661 1.00 0.00 C ATOM 1316 CE LYS A 81 80.925 -7.216 -3.601 1.00 0.00 C ATOM 1317 NZ LYS A 81 81.556 -5.908 -3.264 1.00 0.00 N ATOM 0 H LYS A 81 82.695 -10.765 -0.052 1.00 0.00 H new ATOM 0 HA LYS A 81 82.894 -12.230 -2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 81 80.758 -11.618 -2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 81 81.119 -10.372 -1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 81 81.736 -9.867 -4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 81 80.087 -9.710 -3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 81 81.015 -8.180 -1.672 1.00 0.00 H new ATOM 0 HD3 LYS A 81 82.536 -8.187 -2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 81 81.142 -7.481 -4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 81 79.841 -7.143 -3.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 81.811 -5.410 -4.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 80.885 -5.329 -2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 82.412 -6.072 -2.697 1.00 0.00 H new ATOM 1331 N TYR A 82 84.439 -9.399 -2.384 1.00 0.00 N ATOM 1332 CA TYR A 82 85.393 -8.548 -3.140 1.00 0.00 C ATOM 1333 C TYR A 82 86.776 -9.217 -3.097 1.00 0.00 C ATOM 1334 O TYR A 82 87.449 -9.353 -4.099 1.00 0.00 O ATOM 1335 CB TYR A 82 85.438 -7.162 -2.467 1.00 0.00 C ATOM 1336 CG TYR A 82 85.645 -6.057 -3.488 1.00 0.00 C ATOM 1337 CD1 TYR A 82 86.461 -6.261 -4.610 1.00 0.00 C ATOM 1338 CD2 TYR A 82 85.017 -4.820 -3.301 1.00 0.00 C ATOM 1339 CE1 TYR A 82 86.643 -5.230 -5.540 1.00 0.00 C ATOM 1340 CE2 TYR A 82 85.200 -3.791 -4.231 1.00 0.00 C ATOM 1341 CZ TYR A 82 86.014 -3.996 -5.350 1.00 0.00 C ATOM 1342 OH TYR A 82 86.193 -2.980 -6.266 1.00 0.00 O ATOM 0 H TYR A 82 84.312 -9.140 -1.406 1.00 0.00 H new ATOM 0 HA TYR A 82 85.087 -8.432 -4.180 1.00 0.00 H new ATOM 0 HB2 TYR A 82 84.509 -6.989 -1.925 1.00 0.00 H new ATOM 0 HB3 TYR A 82 86.244 -7.138 -1.734 1.00 0.00 H new ATOM 0 HD1 TYR A 82 86.949 -7.213 -4.757 1.00 0.00 H new ATOM 0 HD2 TYR A 82 84.390 -4.660 -2.437 1.00 0.00 H new ATOM 0 HE1 TYR A 82 87.270 -5.388 -6.405 1.00 0.00 H new ATOM 0 HE2 TYR A 82 84.713 -2.838 -4.085 1.00 0.00 H new ATOM 0 HH TYR A 82 85.685 -2.191 -5.983 1.00 0.00 H new ATOM 1352 N GLY A 83 87.198 -9.636 -1.928 1.00 0.00 N ATOM 1353 CA GLY A 83 88.536 -10.295 -1.780 1.00 0.00 C ATOM 1354 C GLY A 83 89.424 -9.381 -0.941 1.00 0.00 C ATOM 1355 O GLY A 83 90.637 -9.448 -0.986 1.00 0.00 O ATOM 0 H GLY A 83 86.668 -9.549 -1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 83 88.430 -11.268 -1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 83 88.985 -10.469 -2.758 1.00 0.00 H new ATOM 1359 N ILE A 84 88.811 -8.519 -0.183 1.00 0.00 N ATOM 1360 CA ILE A 84 89.574 -7.571 0.669 1.00 0.00 C ATOM 1361 C ILE A 84 89.988 -8.258 1.970 1.00 0.00 C ATOM 1362 O ILE A 84 89.439 -9.272 2.354 1.00 0.00 O ATOM 1363 CB ILE A 84 88.679 -6.369 0.979 1.00 0.00 C ATOM 1364 CG1 ILE A 84 88.365 -5.611 -0.323 1.00 0.00 C ATOM 1365 CG2 ILE A 84 89.390 -5.435 1.958 1.00 0.00 C ATOM 1366 CD1 ILE A 84 87.041 -4.856 -0.174 1.00 0.00 C ATOM 0 H ILE A 84 87.797 -8.430 -0.117 1.00 0.00 H new ATOM 0 HA ILE A 84 90.473 -7.243 0.147 1.00 0.00 H new ATOM 0 HB ILE A 84 87.749 -6.719 1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 84 89.170 -4.912 -0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 84 88.304 -6.310 -1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 84 88.749 -4.580 2.176 1.00 0.00 H new ATOM 0 HG22 ILE A 84 89.606 -5.972 2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 84 90.323 -5.086 1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 84 86.822 -4.320 -1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 84 86.239 -5.565 0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 84 87.118 -4.145 0.648 1.00 0.00 H new ATOM 1378 N GLN A 85 90.956 -7.710 2.646 1.00 0.00 N ATOM 1379 CA GLN A 85 91.420 -8.317 3.922 1.00 0.00 C ATOM 1380 C GLN A 85 92.333 -7.318 4.642 1.00 0.00 C ATOM 1381 O GLN A 85 92.351 -6.143 4.333 1.00 0.00 O ATOM 1382 CB GLN A 85 92.195 -9.618 3.621 1.00 0.00 C ATOM 1383 CG GLN A 85 92.022 -10.631 4.775 1.00 0.00 C ATOM 1384 CD GLN A 85 90.779 -11.485 4.537 1.00 0.00 C ATOM 1385 OE1 GLN A 85 90.800 -12.685 4.729 1.00 0.00 O ATOM 1386 NE2 GLN A 85 89.691 -10.908 4.123 1.00 0.00 N ATOM 0 H GLN A 85 91.449 -6.862 2.367 1.00 0.00 H new ATOM 0 HA GLN A 85 90.566 -8.553 4.556 1.00 0.00 H new ATOM 0 HB2 GLN A 85 91.836 -10.055 2.689 1.00 0.00 H new ATOM 0 HB3 GLN A 85 93.253 -9.394 3.481 1.00 0.00 H new ATOM 0 HG2 GLN A 85 92.903 -11.268 4.846 1.00 0.00 H new ATOM 0 HG3 GLN A 85 91.934 -10.102 5.724 1.00 0.00 H new ATOM 0 HE21 GLN A 85 89.677 -9.901 3.963 1.00 0.00 H new ATOM 0 HE22 GLN A 85 88.851 -11.462 3.958 1.00 0.00 H new ATOM 1395 N ALA A 86 93.090 -7.781 5.593 1.00 0.00 N ATOM 1396 CA ALA A 86 94.008 -6.876 6.338 1.00 0.00 C ATOM 1397 C ALA A 86 95.177 -6.483 5.442 1.00 0.00 C ATOM 1398 O ALA A 86 95.779 -5.440 5.600 1.00 0.00 O ATOM 1399 CB ALA A 86 94.555 -7.628 7.545 1.00 0.00 C ATOM 0 H ALA A 86 93.113 -8.757 5.890 1.00 0.00 H new ATOM 0 HA ALA A 86 93.468 -5.982 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 86 95.230 -6.979 8.103 1.00 0.00 H new ATOM 0 HB2 ALA A 86 93.730 -7.932 8.189 1.00 0.00 H new ATOM 0 HB3 ALA A 86 95.097 -8.512 7.208 1.00 0.00 H new ATOM 1405 N ASP A 87 95.501 -7.322 4.510 1.00 0.00 N ATOM 1406 CA ASP A 87 96.630 -7.028 3.597 1.00 0.00 C ATOM 1407 C ASP A 87 96.211 -5.896 2.670 1.00 0.00 C ATOM 1408 O ASP A 87 97.017 -5.282 2.000 1.00 0.00 O ATOM 1409 CB ASP A 87 96.929 -8.296 2.802 1.00 0.00 C ATOM 1410 CG ASP A 87 97.762 -7.974 1.557 1.00 0.00 C ATOM 1411 OD1 ASP A 87 98.925 -8.342 1.535 1.00 0.00 O ATOM 1412 OD2 ASP A 87 97.222 -7.366 0.647 1.00 0.00 O ATOM 0 H ASP A 87 95.027 -8.209 4.339 1.00 0.00 H new ATOM 0 HA ASP A 87 97.524 -6.725 4.143 1.00 0.00 H new ATOM 0 HB2 ASP A 87 97.466 -9.007 3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 87 95.995 -8.774 2.507 1.00 0.00 H new ATOM 1417 N ALA A 88 94.942 -5.625 2.638 1.00 0.00 N ATOM 1418 CA ALA A 88 94.414 -4.539 1.769 1.00 0.00 C ATOM 1419 C ALA A 88 94.195 -3.286 2.626 1.00 0.00 C ATOM 1420 O ALA A 88 93.362 -3.270 3.504 1.00 0.00 O ATOM 1421 CB ALA A 88 93.084 -5.020 1.172 1.00 0.00 C ATOM 0 H ALA A 88 94.235 -6.116 3.185 1.00 0.00 H new ATOM 0 HA ALA A 88 95.111 -4.298 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 88 92.672 -4.243 0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 88 93.254 -5.924 0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 88 92.381 -5.236 1.977 1.00 0.00 H new ATOM 1427 N LYS A 89 94.941 -2.238 2.385 1.00 0.00 N ATOM 1428 CA LYS A 89 94.768 -0.992 3.198 1.00 0.00 C ATOM 1429 C LYS A 89 93.822 -0.039 2.477 1.00 0.00 C ATOM 1430 O LYS A 89 94.077 0.411 1.378 1.00 0.00 O ATOM 1431 CB LYS A 89 96.119 -0.297 3.426 1.00 0.00 C ATOM 1432 CG LYS A 89 97.223 -1.326 3.705 1.00 0.00 C ATOM 1433 CD LYS A 89 97.049 -1.958 5.098 1.00 0.00 C ATOM 1434 CE LYS A 89 97.742 -3.319 5.130 1.00 0.00 C ATOM 1435 NZ LYS A 89 99.195 -3.149 4.845 1.00 0.00 N ATOM 0 H LYS A 89 95.660 -2.189 1.664 1.00 0.00 H new ATOM 0 HA LYS A 89 94.350 -1.266 4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 89 96.381 0.295 2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 89 96.040 0.394 4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 89 97.200 -2.105 2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 89 98.199 -0.845 3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 89 97.472 -1.305 5.861 1.00 0.00 H new ATOM 0 HD3 LYS A 89 95.990 -2.072 5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 89 97.605 -3.785 6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 89 97.292 -3.984 4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 99.702 -4.021 5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 99.329 -2.950 3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 99.569 -2.357 5.406 1.00 0.00 H new ATOM 1449 N LEU A 90 92.727 0.266 3.107 1.00 0.00 N ATOM 1450 CA LEU A 90 91.722 1.190 2.508 1.00 0.00 C ATOM 1451 C LEU A 90 91.949 2.606 3.032 1.00 0.00 C ATOM 1452 O LEU A 90 92.807 2.852 3.851 1.00 0.00 O ATOM 1453 CB LEU A 90 90.307 0.726 2.868 1.00 0.00 C ATOM 1454 CG LEU A 90 90.237 -0.795 2.791 1.00 0.00 C ATOM 1455 CD1 LEU A 90 88.798 -1.255 3.033 1.00 0.00 C ATOM 1456 CD2 LEU A 90 90.703 -1.266 1.408 1.00 0.00 C ATOM 0 H LEU A 90 92.479 -0.091 4.030 1.00 0.00 H new ATOM 0 HA LEU A 90 91.834 1.185 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 90 90.047 1.063 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 90 89.582 1.169 2.185 1.00 0.00 H new ATOM 0 HG LEU A 90 90.887 -1.224 3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 90 88.749 -2.343 2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 90 88.472 -0.927 4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 90 88.146 -0.824 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 90 90.651 -2.354 1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 90 90.059 -0.836 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 90 91.731 -0.943 1.241 1.00 0.00 H new ATOM 1468 N GLN A 91 91.181 3.535 2.546 1.00 0.00 N ATOM 1469 CA GLN A 91 91.295 4.952 2.986 1.00 0.00 C ATOM 1470 C GLN A 91 89.887 5.433 3.319 1.00 0.00 C ATOM 1471 O GLN A 91 88.916 4.800 2.958 1.00 0.00 O ATOM 1472 CB GLN A 91 91.850 5.814 1.849 1.00 0.00 C ATOM 1473 CG GLN A 91 93.176 5.236 1.329 1.00 0.00 C ATOM 1474 CD GLN A 91 93.434 5.743 -0.079 1.00 0.00 C ATOM 1475 OE1 GLN A 91 94.312 5.263 -0.767 1.00 0.00 O ATOM 1476 NE2 GLN A 91 92.699 6.707 -0.528 1.00 0.00 N ATOM 0 H GLN A 91 90.460 3.368 1.844 1.00 0.00 H new ATOM 0 HA GLN A 91 91.962 5.029 3.844 1.00 0.00 H new ATOM 0 HB2 GLN A 91 91.125 5.864 1.036 1.00 0.00 H new ATOM 0 HB3 GLN A 91 92.005 6.834 2.201 1.00 0.00 H new ATOM 0 HG2 GLN A 91 93.995 5.527 1.987 1.00 0.00 H new ATOM 0 HG3 GLN A 91 93.136 4.147 1.333 1.00 0.00 H new ATOM 0 HE21 GLN A 91 91.964 7.103 0.058 1.00 0.00 H new ATOM 0 HE22 GLN A 91 92.854 7.071 -1.468 1.00 0.00 H new ATOM 1485 N PHE A 92 89.760 6.543 3.995 1.00 0.00 N ATOM 1486 CA PHE A 92 88.401 7.065 4.346 1.00 0.00 C ATOM 1487 C PHE A 92 88.365 8.548 4.030 1.00 0.00 C ATOM 1488 O PHE A 92 88.717 9.386 4.834 1.00 0.00 O ATOM 1489 CB PHE A 92 88.154 6.793 5.831 1.00 0.00 C ATOM 1490 CG PHE A 92 86.834 7.357 6.320 1.00 0.00 C ATOM 1491 CD1 PHE A 92 85.634 7.031 5.672 1.00 0.00 C ATOM 1492 CD2 PHE A 92 86.806 8.173 7.461 1.00 0.00 C ATOM 1493 CE1 PHE A 92 84.419 7.524 6.158 1.00 0.00 C ATOM 1494 CE2 PHE A 92 85.592 8.666 7.942 1.00 0.00 C ATOM 1495 CZ PHE A 92 84.397 8.341 7.292 1.00 0.00 C ATOM 0 H PHE A 92 90.539 7.115 4.322 1.00 0.00 H new ATOM 0 HA PHE A 92 87.615 6.574 3.772 1.00 0.00 H new ATOM 0 HB2 PHE A 92 88.172 5.717 6.007 1.00 0.00 H new ATOM 0 HB3 PHE A 92 88.967 7.225 6.415 1.00 0.00 H new ATOM 0 HD1 PHE A 92 85.648 6.399 4.797 1.00 0.00 H new ATOM 0 HD2 PHE A 92 87.727 8.420 7.969 1.00 0.00 H new ATOM 0 HE1 PHE A 92 83.496 7.273 5.656 1.00 0.00 H new ATOM 0 HE2 PHE A 92 85.575 9.299 8.817 1.00 0.00 H new ATOM 0 HZ PHE A 92 83.458 8.721 7.666 1.00 0.00 H new ATOM 1505 N THR A 93 87.960 8.865 2.829 1.00 0.00 N ATOM 1506 CA THR A 93 87.913 10.296 2.386 1.00 0.00 C ATOM 1507 C THR A 93 86.458 10.778 2.352 1.00 0.00 C ATOM 1508 O THR A 93 85.552 9.991 2.177 1.00 0.00 O ATOM 1509 CB THR A 93 88.516 10.402 0.975 1.00 0.00 C ATOM 1510 OG1 THR A 93 87.883 11.459 0.267 1.00 0.00 O ATOM 1511 CG2 THR A 93 88.302 9.087 0.219 1.00 0.00 C ATOM 0 H THR A 93 87.656 8.190 2.127 1.00 0.00 H new ATOM 0 HA THR A 93 88.481 10.914 3.082 1.00 0.00 H new ATOM 0 HB THR A 93 89.584 10.603 1.056 1.00 0.00 H new ATOM 0 HG1 THR A 93 88.268 11.528 -0.632 1.00 0.00 H new ATOM 0 HG21 THR A 93 88.731 9.168 -0.780 1.00 0.00 H new ATOM 0 HG22 THR A 93 88.788 8.274 0.758 1.00 0.00 H new ATOM 0 HG23 THR A 93 87.234 8.882 0.140 1.00 0.00 H new ATOM 1642 N SER B 547 55.849 28.680 11.612 1.00 0.00 N ATOM 1643 CA SER B 547 55.564 27.614 12.611 1.00 0.00 C ATOM 1644 C SER B 547 56.769 27.496 13.540 1.00 0.00 C ATOM 1645 O SER B 547 57.861 27.234 13.103 1.00 0.00 O ATOM 1646 CB SER B 547 55.341 26.289 11.875 1.00 0.00 C ATOM 1647 OG SER B 547 53.964 26.163 11.545 1.00 0.00 O ATOM 0 HA SER B 547 54.673 27.855 13.190 1.00 0.00 H new ATOM 0 HB2 SER B 547 55.948 26.255 10.971 1.00 0.00 H new ATOM 0 HB3 SER B 547 55.655 25.454 12.501 1.00 0.00 H new ATOM 0 HG SER B 547 53.817 25.317 11.072 1.00 0.00 H new ATOM 1653 N LEU B 548 56.594 27.704 14.809 1.00 0.00 N ATOM 1654 CA LEU B 548 57.757 27.618 15.729 1.00 0.00 C ATOM 1655 C LEU B 548 58.365 26.219 15.688 1.00 0.00 C ATOM 1656 O LEU B 548 57.668 25.235 15.763 1.00 0.00 O ATOM 1657 CB LEU B 548 57.294 27.952 17.166 1.00 0.00 C ATOM 1658 CG LEU B 548 57.642 29.412 17.510 1.00 0.00 C ATOM 1659 CD1 LEU B 548 56.759 30.365 16.702 1.00 0.00 C ATOM 1660 CD2 LEU B 548 57.425 29.663 18.998 1.00 0.00 C ATOM 0 H LEU B 548 55.702 27.929 15.249 1.00 0.00 H new ATOM 0 HA LEU B 548 58.517 28.333 15.414 1.00 0.00 H new ATOM 0 HB2 LEU B 548 56.219 27.796 17.255 1.00 0.00 H new ATOM 0 HB3 LEU B 548 57.774 27.279 17.876 1.00 0.00 H new ATOM 0 HG LEU B 548 58.688 29.590 17.262 1.00 0.00 H new ATOM 0 HD11 LEU B 548 57.012 31.395 16.952 1.00 0.00 H new ATOM 0 HD12 LEU B 548 56.923 30.199 15.637 1.00 0.00 H new ATOM 0 HD13 LEU B 548 55.711 30.181 16.940 1.00 0.00 H new ATOM 0 HD21 LEU B 548 57.674 30.698 19.232 1.00 0.00 H new ATOM 0 HD22 LEU B 548 56.382 29.474 19.250 1.00 0.00 H new ATOM 0 HD23 LEU B 548 58.065 28.996 19.576 1.00 0.00 H new ATOM 1672 N CYS B 549 59.671 26.129 15.618 1.00 0.00 N ATOM 1673 CA CYS B 549 60.315 24.792 15.615 1.00 0.00 C ATOM 1674 C CYS B 549 60.433 24.381 17.073 1.00 0.00 C ATOM 1675 O CYS B 549 61.255 24.879 17.814 1.00 0.00 O ATOM 1676 CB CYS B 549 61.709 24.918 14.973 1.00 0.00 C ATOM 1677 SG CYS B 549 62.824 23.588 15.528 1.00 0.00 S ATOM 0 H CYS B 549 60.310 26.922 15.563 1.00 0.00 H new ATOM 0 HA CYS B 549 59.746 24.054 15.050 1.00 0.00 H new ATOM 0 HB2 CYS B 549 61.615 24.886 13.888 1.00 0.00 H new ATOM 0 HB3 CYS B 549 62.141 25.886 15.227 1.00 0.00 H new ATOM 0 HG CYS B 549 63.843 24.106 16.147 1.00 0.00 H new ATOM 1682 N SER B 550 59.579 23.496 17.492 1.00 0.00 N ATOM 1683 CA SER B 550 59.589 23.067 18.913 1.00 0.00 C ATOM 1684 C SER B 550 60.996 22.672 19.315 1.00 0.00 C ATOM 1685 O SER B 550 61.664 21.899 18.656 1.00 0.00 O ATOM 1686 CB SER B 550 58.606 21.922 19.131 1.00 0.00 C ATOM 1687 OG SER B 550 58.824 21.355 20.417 1.00 0.00 O ATOM 0 H SER B 550 58.871 23.049 16.909 1.00 0.00 H new ATOM 0 HA SER B 550 59.271 23.897 19.544 1.00 0.00 H new ATOM 0 HB2 SER B 550 57.582 22.286 19.050 1.00 0.00 H new ATOM 0 HB3 SER B 550 58.736 21.163 18.359 1.00 0.00 H new ATOM 0 HG SER B 550 57.971 21.290 20.895 1.00 0.00 H new ATOM 1693 N GLY B 551 61.458 23.256 20.379 1.00 0.00 N ATOM 1694 CA GLY B 551 62.846 23.008 20.859 1.00 0.00 C ATOM 1695 C GLY B 551 63.614 24.289 20.600 1.00 0.00 C ATOM 1696 O GLY B 551 64.471 24.697 21.359 1.00 0.00 O ATOM 0 H GLY B 551 60.923 23.909 20.951 1.00 0.00 H new ATOM 0 HA2 GLY B 551 62.853 22.757 21.920 1.00 0.00 H new ATOM 0 HA3 GLY B 551 63.298 22.169 20.330 1.00 0.00 H new ATOM 1700 N CYS B 552 63.268 24.940 19.527 1.00 0.00 N ATOM 1701 CA CYS B 552 63.902 26.224 19.162 1.00 0.00 C ATOM 1702 C CYS B 552 62.890 27.328 19.454 1.00 0.00 C ATOM 1703 O CYS B 552 63.227 28.423 19.852 1.00 0.00 O ATOM 1704 CB CYS B 552 64.185 26.206 17.661 1.00 0.00 C ATOM 1705 SG CYS B 552 65.760 25.384 17.335 1.00 0.00 S ATOM 0 H CYS B 552 62.552 24.622 18.874 1.00 0.00 H new ATOM 0 HA CYS B 552 64.826 26.384 19.717 1.00 0.00 H new ATOM 0 HB2 CYS B 552 63.381 25.689 17.138 1.00 0.00 H new ATOM 0 HB3 CYS B 552 64.212 27.225 17.276 1.00 0.00 H new ATOM 0 HG CYS B 552 66.008 25.412 16.059 1.00 0.00 H new ATOM 1710 N GLN B 553 61.645 27.024 19.229 1.00 0.00 N ATOM 1711 CA GLN B 553 60.565 28.012 19.441 1.00 0.00 C ATOM 1712 C GLN B 553 60.851 29.269 18.647 1.00 0.00 C ATOM 1713 O GLN B 553 60.880 30.372 19.154 1.00 0.00 O ATOM 1714 CB GLN B 553 60.384 28.317 20.913 1.00 0.00 C ATOM 1715 CG GLN B 553 59.885 27.051 21.607 1.00 0.00 C ATOM 1716 CD GLN B 553 58.471 26.694 21.140 1.00 0.00 C ATOM 1717 OE1 GLN B 553 57.495 27.042 21.775 1.00 0.00 O ATOM 1718 NE2 GLN B 553 58.329 26.006 20.040 1.00 0.00 N ATOM 0 H GLN B 553 61.328 26.112 18.900 1.00 0.00 H new ATOM 0 HA GLN B 553 59.628 27.586 19.084 1.00 0.00 H new ATOM 0 HB2 GLN B 553 61.327 28.644 21.352 1.00 0.00 H new ATOM 0 HB3 GLN B 553 59.671 29.130 21.047 1.00 0.00 H new ATOM 0 HG2 GLN B 553 60.562 26.224 21.395 1.00 0.00 H new ATOM 0 HG3 GLN B 553 59.890 27.197 22.687 1.00 0.00 H new ATOM 0 HE21 GLN B 553 59.151 25.716 19.510 1.00 0.00 H new ATOM 0 HE22 GLN B 553 57.396 25.758 19.710 1.00 0.00 H new ATOM 1727 N LYS B 554 61.015 29.074 17.379 1.00 0.00 N ATOM 1728 CA LYS B 554 61.260 30.196 16.423 1.00 0.00 C ATOM 1729 C LYS B 554 60.467 29.878 15.138 1.00 0.00 C ATOM 1730 O LYS B 554 60.641 28.813 14.577 1.00 0.00 O ATOM 1731 CB LYS B 554 62.750 30.282 16.075 1.00 0.00 C ATOM 1732 CG LYS B 554 63.571 30.641 17.320 1.00 0.00 C ATOM 1733 CD LYS B 554 63.225 32.063 17.798 1.00 0.00 C ATOM 1734 CE LYS B 554 64.394 32.642 18.601 1.00 0.00 C ATOM 1735 NZ LYS B 554 65.471 33.076 17.666 1.00 0.00 N ATOM 0 H LYS B 554 60.990 28.153 16.942 1.00 0.00 H new ATOM 0 HA LYS B 554 60.950 31.143 16.865 1.00 0.00 H new ATOM 0 HB2 LYS B 554 63.091 29.329 15.669 1.00 0.00 H new ATOM 0 HB3 LYS B 554 62.906 31.032 15.300 1.00 0.00 H new ATOM 0 HG2 LYS B 554 63.370 29.924 18.116 1.00 0.00 H new ATOM 0 HG3 LYS B 554 64.635 30.575 17.093 1.00 0.00 H new ATOM 0 HD2 LYS B 554 63.009 32.702 16.941 1.00 0.00 H new ATOM 0 HD3 LYS B 554 62.326 32.040 18.413 1.00 0.00 H new ATOM 0 HE2 LYS B 554 64.055 33.487 19.200 1.00 0.00 H new ATOM 0 HE3 LYS B 554 64.779 31.894 19.294 1.00 0.00 H new ATOM 0 HZ1 LYS B 554 66.114 33.730 18.156 1.00 0.00 H new ATOM 0 HZ2 LYS B 554 66.005 32.245 17.342 1.00 0.00 H new ATOM 0 HZ3 LYS B 554 65.047 33.556 16.847 1.00 0.00 H new ATOM 1749 N PRO B 555 59.589 30.740 14.664 1.00 0.00 N ATOM 1750 CA PRO B 555 58.796 30.422 13.441 1.00 0.00 C ATOM 1751 C PRO B 555 59.606 29.808 12.300 1.00 0.00 C ATOM 1752 O PRO B 555 60.680 30.254 11.951 1.00 0.00 O ATOM 1753 CB PRO B 555 58.244 31.792 13.050 1.00 0.00 C ATOM 1754 CG PRO B 555 58.274 32.671 14.310 1.00 0.00 C ATOM 1755 CD PRO B 555 59.299 32.061 15.289 1.00 0.00 C ATOM 0 HA PRO B 555 58.042 29.660 13.638 1.00 0.00 H new ATOM 0 HB2 PRO B 555 58.845 32.237 12.257 1.00 0.00 H new ATOM 0 HB3 PRO B 555 57.227 31.702 12.668 1.00 0.00 H new ATOM 0 HG2 PRO B 555 58.552 33.694 14.055 1.00 0.00 H new ATOM 0 HG3 PRO B 555 57.286 32.714 14.769 1.00 0.00 H new ATOM 0 HD2 PRO B 555 60.195 32.676 15.375 1.00 0.00 H new ATOM 0 HD3 PRO B 555 58.889 31.954 16.293 1.00 0.00 H new ATOM 1763 N ILE B 556 59.053 28.784 11.718 1.00 0.00 N ATOM 1764 CA ILE B 556 59.703 28.088 10.581 1.00 0.00 C ATOM 1765 C ILE B 556 59.163 28.703 9.288 1.00 0.00 C ATOM 1766 O ILE B 556 58.076 28.386 8.849 1.00 0.00 O ATOM 1767 CB ILE B 556 59.321 26.609 10.656 1.00 0.00 C ATOM 1768 CG1 ILE B 556 59.975 25.954 11.897 1.00 0.00 C ATOM 1769 CG2 ILE B 556 59.794 25.898 9.396 1.00 0.00 C ATOM 1770 CD1 ILE B 556 59.163 24.720 12.352 1.00 0.00 C ATOM 0 H ILE B 556 58.152 28.391 11.992 1.00 0.00 H new ATOM 0 HA ILE B 556 60.788 28.188 10.612 1.00 0.00 H new ATOM 0 HB ILE B 556 58.237 26.524 10.739 1.00 0.00 H new ATOM 0 HG12 ILE B 556 60.997 25.657 11.662 1.00 0.00 H new ATOM 0 HG13 ILE B 556 60.032 26.678 12.710 1.00 0.00 H new ATOM 0 HG21 ILE B 556 59.522 24.844 9.449 1.00 0.00 H new ATOM 0 HG22 ILE B 556 59.322 26.351 8.524 1.00 0.00 H new ATOM 0 HG23 ILE B 556 60.877 25.989 9.311 1.00 0.00 H new ATOM 0 HD11 ILE B 556 59.638 24.273 13.225 1.00 0.00 H new ATOM 0 HD12 ILE B 556 58.149 25.026 12.608 1.00 0.00 H new ATOM 0 HD13 ILE B 556 59.129 23.989 11.544 1.00 0.00 H new ATOM 1782 N THR B 557 59.896 29.612 8.697 1.00 0.00 N ATOM 1783 CA THR B 557 59.407 30.291 7.454 1.00 0.00 C ATOM 1784 C THR B 557 60.029 29.673 6.202 1.00 0.00 C ATOM 1785 O THR B 557 61.081 30.072 5.743 1.00 0.00 O ATOM 1786 CB THR B 557 59.771 31.769 7.543 1.00 0.00 C ATOM 1787 OG1 THR B 557 61.138 31.942 7.197 1.00 0.00 O ATOM 1788 CG2 THR B 557 59.533 32.243 8.977 1.00 0.00 C ATOM 0 H THR B 557 60.814 29.915 9.021 1.00 0.00 H new ATOM 0 HA THR B 557 58.327 30.167 7.378 1.00 0.00 H new ATOM 0 HB THR B 557 59.157 32.350 6.855 1.00 0.00 H new ATOM 0 HG1 THR B 557 61.278 31.666 6.267 1.00 0.00 H new ATOM 0 HG21 THR B 557 59.789 33.299 9.058 1.00 0.00 H new ATOM 0 HG22 THR B 557 58.484 32.103 9.237 1.00 0.00 H new ATOM 0 HG23 THR B 557 60.156 31.665 9.659 1.00 0.00 H new ATOM 1796 N GLY B 558 59.364 28.702 5.651 1.00 0.00 N ATOM 1797 CA GLY B 558 59.856 28.024 4.421 1.00 0.00 C ATOM 1798 C GLY B 558 59.244 26.630 4.392 1.00 0.00 C ATOM 1799 O GLY B 558 58.120 26.439 3.970 1.00 0.00 O ATOM 0 H GLY B 558 58.480 28.340 6.008 1.00 0.00 H new ATOM 0 HA2 GLY B 558 59.570 28.587 3.532 1.00 0.00 H new ATOM 0 HA3 GLY B 558 60.944 27.965 4.425 1.00 0.00 H new ATOM 1803 N ARG B 559 59.968 25.664 4.878 1.00 0.00 N ATOM 1804 CA ARG B 559 59.458 24.268 4.942 1.00 0.00 C ATOM 1805 C ARG B 559 59.326 23.910 6.413 1.00 0.00 C ATOM 1806 O ARG B 559 60.040 24.435 7.243 1.00 0.00 O ATOM 1807 CB ARG B 559 60.468 23.329 4.264 1.00 0.00 C ATOM 1808 CG ARG B 559 60.195 23.275 2.753 1.00 0.00 C ATOM 1809 CD ARG B 559 59.120 22.223 2.446 1.00 0.00 C ATOM 1810 NE ARG B 559 58.487 22.535 1.135 1.00 0.00 N ATOM 1811 CZ ARG B 559 57.763 21.634 0.528 1.00 0.00 C ATOM 1812 NH1 ARG B 559 57.208 21.909 -0.620 1.00 0.00 N ATOM 1813 NH2 ARG B 559 57.593 20.459 1.070 1.00 0.00 N ATOM 0 H ARG B 559 60.913 25.786 5.242 1.00 0.00 H new ATOM 0 HA ARG B 559 58.499 24.172 4.434 1.00 0.00 H new ATOM 0 HB2 ARG B 559 61.484 23.679 4.447 1.00 0.00 H new ATOM 0 HB3 ARG B 559 60.394 22.329 4.692 1.00 0.00 H new ATOM 0 HG2 ARG B 559 59.868 24.253 2.400 1.00 0.00 H new ATOM 0 HG3 ARG B 559 61.114 23.034 2.218 1.00 0.00 H new ATOM 0 HD2 ARG B 559 59.565 21.228 2.421 1.00 0.00 H new ATOM 0 HD3 ARG B 559 58.367 22.215 3.234 1.00 0.00 H new ATOM 0 HE ARG B 559 58.619 23.453 0.711 1.00 0.00 H new ATOM 0 HH11 ARG B 559 57.340 22.828 -1.043 1.00 0.00 H new ATOM 0 HH12 ARG B 559 56.642 21.205 -1.095 1.00 0.00 H new ATOM 0 HH21 ARG B 559 58.026 20.244 1.968 1.00 0.00 H new ATOM 0 HH22 ARG B 559 57.027 19.755 0.595 1.00 0.00 H new ATOM 1827 N CYS B 560 58.425 23.032 6.761 1.00 0.00 N ATOM 1828 CA CYS B 560 58.282 22.671 8.202 1.00 0.00 C ATOM 1829 C CYS B 560 57.930 21.208 8.377 1.00 0.00 C ATOM 1830 O CYS B 560 56.965 20.705 7.836 1.00 0.00 O ATOM 1831 CB CYS B 560 57.206 23.532 8.859 1.00 0.00 C ATOM 1832 SG CYS B 560 55.643 23.331 7.968 1.00 0.00 S ATOM 0 H CYS B 560 57.790 22.555 6.121 1.00 0.00 H new ATOM 0 HA CYS B 560 59.244 22.854 8.682 1.00 0.00 H new ATOM 0 HB2 CYS B 560 57.081 23.243 9.903 1.00 0.00 H new ATOM 0 HB3 CYS B 560 57.509 24.579 8.852 1.00 0.00 H new ATOM 0 HG CYS B 560 55.538 22.106 7.547 1.00 0.00 H new ATOM 1838 N ILE B 561 58.710 20.534 9.167 1.00 0.00 N ATOM 1839 CA ILE B 561 58.459 19.109 9.448 1.00 0.00 C ATOM 1840 C ILE B 561 57.586 19.023 10.677 1.00 0.00 C ATOM 1841 O ILE B 561 57.675 19.833 11.575 1.00 0.00 O ATOM 1842 CB ILE B 561 59.783 18.416 9.719 1.00 0.00 C ATOM 1843 CG1 ILE B 561 60.593 18.484 8.435 1.00 0.00 C ATOM 1844 CG2 ILE B 561 59.546 16.953 10.121 1.00 0.00 C ATOM 1845 CD1 ILE B 561 61.905 17.730 8.606 1.00 0.00 C ATOM 0 H ILE B 561 59.527 20.924 9.637 1.00 0.00 H new ATOM 0 HA ILE B 561 57.969 18.630 8.601 1.00 0.00 H new ATOM 0 HB ILE B 561 60.313 18.902 10.538 1.00 0.00 H new ATOM 0 HG12 ILE B 561 60.022 18.054 7.612 1.00 0.00 H new ATOM 0 HG13 ILE B 561 60.793 19.524 8.176 1.00 0.00 H new ATOM 0 HG21 ILE B 561 60.504 16.469 10.312 1.00 0.00 H new ATOM 0 HG22 ILE B 561 58.935 16.918 11.023 1.00 0.00 H new ATOM 0 HG23 ILE B 561 59.031 16.433 9.313 1.00 0.00 H new ATOM 0 HD11 ILE B 561 62.479 17.784 7.681 1.00 0.00 H new ATOM 0 HD12 ILE B 561 62.480 18.179 9.416 1.00 0.00 H new ATOM 0 HD13 ILE B 561 61.697 16.687 8.843 1.00 0.00 H new ATOM 1857 N THR B 562 56.747 18.039 10.712 1.00 0.00 N ATOM 1858 CA THR B 562 55.831 17.850 11.876 1.00 0.00 C ATOM 1859 C THR B 562 56.141 16.528 12.549 1.00 0.00 C ATOM 1860 O THR B 562 56.547 15.570 11.924 1.00 0.00 O ATOM 1861 CB THR B 562 54.369 17.860 11.434 1.00 0.00 C ATOM 1862 OG1 THR B 562 54.153 18.937 10.532 1.00 0.00 O ATOM 1863 CG2 THR B 562 53.475 18.028 12.669 1.00 0.00 C ATOM 0 H THR B 562 56.649 17.341 9.975 1.00 0.00 H new ATOM 0 HA THR B 562 55.986 18.674 12.572 1.00 0.00 H new ATOM 0 HB THR B 562 54.127 16.923 10.933 1.00 0.00 H new ATOM 0 HG1 THR B 562 53.215 18.942 10.247 1.00 0.00 H new ATOM 0 HG21 THR B 562 52.429 18.036 12.363 1.00 0.00 H new ATOM 0 HG22 THR B 562 53.645 17.200 13.357 1.00 0.00 H new ATOM 0 HG23 THR B 562 53.715 18.968 13.167 1.00 0.00 H new ATOM 1871 N ALA B 563 55.970 16.492 13.832 1.00 0.00 N ATOM 1872 CA ALA B 563 56.260 15.269 14.617 1.00 0.00 C ATOM 1873 C ALA B 563 55.012 14.853 15.384 1.00 0.00 C ATOM 1874 O ALA B 563 53.936 14.737 14.831 1.00 0.00 O ATOM 1875 CB ALA B 563 57.393 15.584 15.580 1.00 0.00 C ATOM 0 H ALA B 563 55.632 17.280 14.385 1.00 0.00 H new ATOM 0 HA ALA B 563 56.551 14.449 13.961 1.00 0.00 H new ATOM 0 HB1 ALA B 563 57.626 14.698 16.171 1.00 0.00 H new ATOM 0 HB2 ALA B 563 58.276 15.887 15.017 1.00 0.00 H new ATOM 0 HB3 ALA B 563 57.091 16.394 16.244 1.00 0.00 H new ATOM 1881 N MET B 564 55.154 14.631 16.653 1.00 0.00 N ATOM 1882 CA MET B 564 53.999 14.224 17.502 1.00 0.00 C ATOM 1883 C MET B 564 52.994 15.371 17.564 1.00 0.00 C ATOM 1884 O MET B 564 52.272 15.519 18.526 1.00 0.00 O ATOM 1885 CB MET B 564 54.517 13.934 18.906 1.00 0.00 C ATOM 1886 CG MET B 564 55.890 13.265 18.815 1.00 0.00 C ATOM 1887 SD MET B 564 56.299 12.503 20.405 1.00 0.00 S ATOM 1888 CE MET B 564 58.097 12.503 20.198 1.00 0.00 C ATOM 0 H MET B 564 56.039 14.715 17.153 1.00 0.00 H new ATOM 0 HA MET B 564 53.515 13.340 17.087 1.00 0.00 H new ATOM 0 HB2 MET B 564 54.589 14.860 19.477 1.00 0.00 H new ATOM 0 HB3 MET B 564 53.819 13.286 19.436 1.00 0.00 H new ATOM 0 HG2 MET B 564 55.887 12.510 18.028 1.00 0.00 H new ATOM 0 HG3 MET B 564 56.648 14.001 18.547 1.00 0.00 H new ATOM 0 HE1 MET B 564 58.565 12.067 21.081 1.00 0.00 H new ATOM 0 HE2 MET B 564 58.362 11.915 19.319 1.00 0.00 H new ATOM 0 HE3 MET B 564 58.448 13.527 20.069 1.00 0.00 H new ATOM 1898 N ALA B 565 53.014 16.180 16.545 1.00 0.00 N ATOM 1899 CA ALA B 565 52.150 17.393 16.415 1.00 0.00 C ATOM 1900 C ALA B 565 53.065 18.593 16.571 1.00 0.00 C ATOM 1901 O ALA B 565 52.685 19.722 16.335 1.00 0.00 O ATOM 1902 CB ALA B 565 51.038 17.463 17.465 1.00 0.00 C ATOM 0 H ALA B 565 53.633 16.042 15.746 1.00 0.00 H new ATOM 0 HA ALA B 565 51.648 17.365 15.448 1.00 0.00 H new ATOM 0 HB1 ALA B 565 50.450 18.368 17.312 1.00 0.00 H new ATOM 0 HB2 ALA B 565 50.392 16.590 17.370 1.00 0.00 H new ATOM 0 HB3 ALA B 565 51.479 17.481 18.462 1.00 0.00 H new ATOM 1908 N LYS B 566 54.289 18.343 16.952 1.00 0.00 N ATOM 1909 CA LYS B 566 55.258 19.454 17.109 1.00 0.00 C ATOM 1910 C LYS B 566 55.818 19.790 15.734 1.00 0.00 C ATOM 1911 O LYS B 566 55.712 19.011 14.815 1.00 0.00 O ATOM 1912 CB LYS B 566 56.405 18.996 18.022 1.00 0.00 C ATOM 1913 CG LYS B 566 56.126 19.401 19.471 1.00 0.00 C ATOM 1914 CD LYS B 566 57.041 18.599 20.413 1.00 0.00 C ATOM 1915 CE LYS B 566 56.373 17.265 20.782 1.00 0.00 C ATOM 1916 NZ LYS B 566 57.418 16.283 21.184 1.00 0.00 N ATOM 0 H LYS B 566 54.656 17.414 17.160 1.00 0.00 H new ATOM 0 HA LYS B 566 54.772 20.326 17.546 1.00 0.00 H new ATOM 0 HB2 LYS B 566 56.521 17.914 17.956 1.00 0.00 H new ATOM 0 HB3 LYS B 566 57.343 19.439 17.688 1.00 0.00 H new ATOM 0 HG2 LYS B 566 56.299 20.469 19.601 1.00 0.00 H new ATOM 0 HG3 LYS B 566 55.080 19.215 19.717 1.00 0.00 H new ATOM 0 HD2 LYS B 566 58.001 18.414 19.931 1.00 0.00 H new ATOM 0 HD3 LYS B 566 57.244 19.176 21.315 1.00 0.00 H new ATOM 0 HE2 LYS B 566 55.665 17.413 21.597 1.00 0.00 H new ATOM 0 HE3 LYS B 566 55.806 16.882 19.933 1.00 0.00 H new ATOM 0 HZ1 LYS B 566 56.968 15.380 21.434 1.00 0.00 H new ATOM 0 HZ2 LYS B 566 58.077 16.134 20.393 1.00 0.00 H new ATOM 0 HZ3 LYS B 566 57.940 16.649 22.006 1.00 0.00 H new ATOM 1930 N LYS B 567 56.428 20.934 15.595 1.00 0.00 N ATOM 1931 CA LYS B 567 57.023 21.330 14.289 1.00 0.00 C ATOM 1932 C LYS B 567 58.535 21.200 14.421 1.00 0.00 C ATOM 1933 O LYS B 567 59.039 20.917 15.490 1.00 0.00 O ATOM 1934 CB LYS B 567 56.628 22.774 13.969 1.00 0.00 C ATOM 1935 CG LYS B 567 55.195 23.047 14.460 1.00 0.00 C ATOM 1936 CD LYS B 567 54.190 22.108 13.765 1.00 0.00 C ATOM 1937 CE LYS B 567 54.187 22.374 12.258 1.00 0.00 C ATOM 1938 NZ LYS B 567 52.902 21.896 11.673 1.00 0.00 N ATOM 0 H LYS B 567 56.541 21.620 16.341 1.00 0.00 H new ATOM 0 HA LYS B 567 56.664 20.695 13.479 1.00 0.00 H new ATOM 0 HB2 LYS B 567 57.323 23.465 14.447 1.00 0.00 H new ATOM 0 HB3 LYS B 567 56.693 22.948 12.895 1.00 0.00 H new ATOM 0 HG2 LYS B 567 55.143 22.908 15.540 1.00 0.00 H new ATOM 0 HG3 LYS B 567 54.929 24.085 14.259 1.00 0.00 H new ATOM 0 HD2 LYS B 567 54.455 21.069 13.959 1.00 0.00 H new ATOM 0 HD3 LYS B 567 53.191 22.264 14.173 1.00 0.00 H new ATOM 0 HE2 LYS B 567 54.313 23.439 12.065 1.00 0.00 H new ATOM 0 HE3 LYS B 567 55.026 21.863 11.786 1.00 0.00 H new ATOM 0 HZ1 LYS B 567 52.899 22.076 10.649 1.00 0.00 H new ATOM 0 HZ2 LYS B 567 52.800 20.875 11.845 1.00 0.00 H new ATOM 0 HZ3 LYS B 567 52.109 22.402 12.116 1.00 0.00 H new ATOM 1952 N PHE B 568 59.276 21.384 13.368 1.00 0.00 N ATOM 1953 CA PHE B 568 60.753 21.238 13.508 1.00 0.00 C ATOM 1954 C PHE B 568 61.451 21.946 12.361 1.00 0.00 C ATOM 1955 O PHE B 568 61.065 21.825 11.216 1.00 0.00 O ATOM 1956 CB PHE B 568 61.122 19.728 13.484 1.00 0.00 C ATOM 1957 CG PHE B 568 61.844 19.332 14.761 1.00 0.00 C ATOM 1958 CD1 PHE B 568 61.383 18.252 15.527 1.00 0.00 C ATOM 1959 CD2 PHE B 568 62.974 20.049 15.174 1.00 0.00 C ATOM 1960 CE1 PHE B 568 62.052 17.891 16.702 1.00 0.00 C ATOM 1961 CE2 PHE B 568 63.643 19.687 16.349 1.00 0.00 C ATOM 1962 CZ PHE B 568 63.182 18.609 17.114 1.00 0.00 C ATOM 0 H PHE B 568 58.937 21.624 12.436 1.00 0.00 H new ATOM 0 HA PHE B 568 61.073 21.682 14.451 1.00 0.00 H new ATOM 0 HB2 PHE B 568 60.218 19.129 13.371 1.00 0.00 H new ATOM 0 HB3 PHE B 568 61.755 19.517 12.622 1.00 0.00 H new ATOM 0 HD1 PHE B 568 60.511 17.699 15.210 1.00 0.00 H new ATOM 0 HD2 PHE B 568 63.329 20.882 14.585 1.00 0.00 H new ATOM 0 HE1 PHE B 568 61.697 17.059 17.291 1.00 0.00 H new ATOM 0 HE2 PHE B 568 64.515 20.240 16.666 1.00 0.00 H new ATOM 0 HZ PHE B 568 63.697 18.331 18.021 1.00 0.00 H new ATOM 1972 N HIS B 569 62.511 22.637 12.651 1.00 0.00 N ATOM 1973 CA HIS B 569 63.262 23.291 11.559 1.00 0.00 C ATOM 1974 C HIS B 569 63.650 22.162 10.588 1.00 0.00 C ATOM 1975 O HIS B 569 64.373 21.267 10.979 1.00 0.00 O ATOM 1976 CB HIS B 569 64.539 23.919 12.124 1.00 0.00 C ATOM 1977 CG HIS B 569 64.278 25.310 12.628 1.00 0.00 C ATOM 1978 ND1 HIS B 569 64.460 25.641 13.958 1.00 0.00 N ATOM 1979 CD2 HIS B 569 63.898 26.467 11.997 1.00 0.00 C ATOM 1980 CE1 HIS B 569 64.200 26.952 14.086 1.00 0.00 C ATOM 1981 NE2 HIS B 569 63.849 27.506 12.921 1.00 0.00 N ATOM 0 H HIS B 569 62.886 22.775 13.589 1.00 0.00 H new ATOM 0 HA HIS B 569 62.674 24.070 11.074 1.00 0.00 H new ATOM 0 HB2 HIS B 569 64.924 23.301 12.935 1.00 0.00 H new ATOM 0 HB3 HIS B 569 65.307 23.947 11.351 1.00 0.00 H new ATOM 0 HD1 HIS B 569 64.740 25.006 14.705 1.00 0.00 H new ATOM 0 HD2 HIS B 569 63.672 26.558 10.945 1.00 0.00 H new ATOM 0 HE1 HIS B 569 64.266 27.494 15.018 1.00 0.00 H new ATOM 1988 N PRO B 570 63.180 22.151 9.365 1.00 0.00 N ATOM 1989 CA PRO B 570 63.539 21.047 8.442 1.00 0.00 C ATOM 1990 C PRO B 570 65.039 20.722 8.494 1.00 0.00 C ATOM 1991 O PRO B 570 65.487 19.725 7.968 1.00 0.00 O ATOM 1992 CB PRO B 570 63.105 21.622 7.090 1.00 0.00 C ATOM 1993 CG PRO B 570 62.033 22.679 7.384 1.00 0.00 C ATOM 1994 CD PRO B 570 62.281 23.198 8.806 1.00 0.00 C ATOM 0 HA PRO B 570 63.065 20.094 8.679 1.00 0.00 H new ATOM 0 HB2 PRO B 570 63.953 22.066 6.568 1.00 0.00 H new ATOM 0 HB3 PRO B 570 62.709 20.838 6.445 1.00 0.00 H new ATOM 0 HG2 PRO B 570 62.089 23.494 6.662 1.00 0.00 H new ATOM 0 HG3 PRO B 570 61.035 22.248 7.301 1.00 0.00 H new ATOM 0 HD2 PRO B 570 62.751 24.181 8.805 1.00 0.00 H new ATOM 0 HD3 PRO B 570 61.356 23.287 9.375 1.00 0.00 H new ATOM 2002 N GLU B 571 65.816 21.557 9.142 1.00 0.00 N ATOM 2003 CA GLU B 571 67.284 21.309 9.246 1.00 0.00 C ATOM 2004 C GLU B 571 67.619 20.698 10.615 1.00 0.00 C ATOM 2005 O GLU B 571 68.271 19.683 10.723 1.00 0.00 O ATOM 2006 CB GLU B 571 68.015 22.647 9.112 1.00 0.00 C ATOM 2007 CG GLU B 571 67.289 23.504 8.085 1.00 0.00 C ATOM 2008 CD GLU B 571 68.159 24.704 7.704 1.00 0.00 C ATOM 2009 OE1 GLU B 571 68.748 25.291 8.597 1.00 0.00 O ATOM 2010 OE2 GLU B 571 68.221 25.016 6.527 1.00 0.00 O ATOM 0 H GLU B 571 65.491 22.405 9.606 1.00 0.00 H new ATOM 0 HA GLU B 571 67.593 20.620 8.459 1.00 0.00 H new ATOM 0 HB2 GLU B 571 68.046 23.158 10.075 1.00 0.00 H new ATOM 0 HB3 GLU B 571 69.048 22.483 8.804 1.00 0.00 H new ATOM 0 HG2 GLU B 571 67.062 22.912 7.199 1.00 0.00 H new ATOM 0 HG3 GLU B 571 66.338 23.847 8.491 1.00 0.00 H new ATOM 2017 N HIS B 572 67.184 21.324 11.664 1.00 0.00 N ATOM 2018 CA HIS B 572 67.494 20.786 13.027 1.00 0.00 C ATOM 2019 C HIS B 572 66.962 19.362 13.154 1.00 0.00 C ATOM 2020 O HIS B 572 67.192 18.692 14.141 1.00 0.00 O ATOM 2021 CB HIS B 572 66.877 21.695 14.097 1.00 0.00 C ATOM 2022 CG HIS B 572 67.311 23.109 13.805 1.00 0.00 C ATOM 2023 ND1 HIS B 572 66.644 24.252 14.264 1.00 0.00 N ATOM 2024 CD2 HIS B 572 68.375 23.577 13.071 1.00 0.00 C ATOM 2025 CE1 HIS B 572 67.321 25.318 13.796 1.00 0.00 C ATOM 2026 NE2 HIS B 572 68.377 24.964 13.068 1.00 0.00 N ATOM 0 H HIS B 572 66.630 22.180 11.647 1.00 0.00 H new ATOM 0 HA HIS B 572 68.574 20.765 13.172 1.00 0.00 H new ATOM 0 HB2 HIS B 572 65.790 21.618 14.083 1.00 0.00 H new ATOM 0 HB3 HIS B 572 67.205 21.392 15.091 1.00 0.00 H new ATOM 0 HD2 HIS B 572 69.103 22.956 12.570 1.00 0.00 H new ATOM 0 HE1 HIS B 572 67.039 26.342 13.989 1.00 0.00 H new ATOM 0 HE2 HIS B 572 69.045 25.581 12.606 1.00 0.00 H new ATOM 2033 N PHE B 573 66.277 18.885 12.147 1.00 0.00 N ATOM 2034 CA PHE B 573 65.747 17.488 12.172 1.00 0.00 C ATOM 2035 C PHE B 573 66.240 16.780 10.909 1.00 0.00 C ATOM 2036 O PHE B 573 65.470 16.262 10.126 1.00 0.00 O ATOM 2037 CB PHE B 573 64.220 17.528 12.190 1.00 0.00 C ATOM 2038 CG PHE B 573 63.670 16.195 12.649 1.00 0.00 C ATOM 2039 CD1 PHE B 573 63.156 15.289 11.714 1.00 0.00 C ATOM 2040 CD2 PHE B 573 63.674 15.868 14.011 1.00 0.00 C ATOM 2041 CE1 PHE B 573 62.645 14.057 12.140 1.00 0.00 C ATOM 2042 CE2 PHE B 573 63.163 14.636 14.436 1.00 0.00 C ATOM 2043 CZ PHE B 573 62.649 13.731 13.501 1.00 0.00 C ATOM 0 H PHE B 573 66.060 19.409 11.299 1.00 0.00 H new ATOM 0 HA PHE B 573 66.091 16.956 13.059 1.00 0.00 H new ATOM 0 HB2 PHE B 573 63.877 18.320 12.856 1.00 0.00 H new ATOM 0 HB3 PHE B 573 63.843 17.762 11.195 1.00 0.00 H new ATOM 0 HD1 PHE B 573 63.154 15.540 10.664 1.00 0.00 H new ATOM 0 HD2 PHE B 573 64.071 16.566 14.733 1.00 0.00 H new ATOM 0 HE1 PHE B 573 62.248 13.358 11.418 1.00 0.00 H new ATOM 0 HE2 PHE B 573 63.166 14.384 15.486 1.00 0.00 H new ATOM 0 HZ PHE B 573 62.255 12.781 13.830 1.00 0.00 H new ATOM 2053 N VAL B 574 67.529 16.787 10.705 1.00 0.00 N ATOM 2054 CA VAL B 574 68.121 16.154 9.492 1.00 0.00 C ATOM 2055 C VAL B 574 68.543 14.710 9.788 1.00 0.00 C ATOM 2056 O VAL B 574 68.431 14.222 10.895 1.00 0.00 O ATOM 2057 CB VAL B 574 69.373 16.925 9.068 1.00 0.00 C ATOM 2058 CG1 VAL B 574 68.988 18.319 8.523 1.00 0.00 C ATOM 2059 CG2 VAL B 574 70.311 17.056 10.279 1.00 0.00 C ATOM 0 H VAL B 574 68.207 17.211 11.338 1.00 0.00 H new ATOM 0 HA VAL B 574 67.369 16.168 8.704 1.00 0.00 H new ATOM 0 HB VAL B 574 69.884 16.384 8.272 1.00 0.00 H new ATOM 0 HG11 VAL B 574 69.889 18.855 8.226 1.00 0.00 H new ATOM 0 HG12 VAL B 574 68.333 18.204 7.660 1.00 0.00 H new ATOM 0 HG13 VAL B 574 68.470 18.883 9.299 1.00 0.00 H new ATOM 0 HG21 VAL B 574 71.207 17.604 9.988 1.00 0.00 H new ATOM 0 HG22 VAL B 574 69.801 17.593 11.078 1.00 0.00 H new ATOM 0 HG23 VAL B 574 70.592 16.063 10.631 1.00 0.00 H new ATOM 2069 N CYS B 575 69.035 14.036 8.786 1.00 0.00 N ATOM 2070 CA CYS B 575 69.491 12.621 8.947 1.00 0.00 C ATOM 2071 C CYS B 575 70.897 12.635 9.519 1.00 0.00 C ATOM 2072 O CYS B 575 71.685 13.489 9.161 1.00 0.00 O ATOM 2073 CB CYS B 575 69.472 11.948 7.556 1.00 0.00 C ATOM 2074 SG CYS B 575 71.064 11.188 7.145 1.00 0.00 S ATOM 0 H CYS B 575 69.143 14.411 7.844 1.00 0.00 H new ATOM 0 HA CYS B 575 68.840 12.065 9.622 1.00 0.00 H new ATOM 0 HB2 CYS B 575 68.691 11.188 7.532 1.00 0.00 H new ATOM 0 HB3 CYS B 575 69.218 12.690 6.798 1.00 0.00 H new ATOM 0 HG CYS B 575 71.553 11.753 6.081 1.00 0.00 H new ATOM 2079 N ALA B 576 71.259 11.707 10.385 1.00 0.00 N ATOM 2080 CA ALA B 576 72.665 11.772 10.890 1.00 0.00 C ATOM 2081 C ALA B 576 73.560 10.840 10.061 1.00 0.00 C ATOM 2082 O ALA B 576 74.061 9.844 10.533 1.00 0.00 O ATOM 2083 CB ALA B 576 72.674 11.291 12.350 1.00 0.00 C ATOM 0 H ALA B 576 70.676 10.951 10.744 1.00 0.00 H new ATOM 0 HA ALA B 576 73.038 12.793 10.814 1.00 0.00 H new ATOM 0 HB1 ALA B 576 73.691 11.330 12.740 1.00 0.00 H new ATOM 0 HB2 ALA B 576 72.031 11.935 12.949 1.00 0.00 H new ATOM 0 HB3 ALA B 576 72.306 10.266 12.398 1.00 0.00 H new ATOM 2089 N PHE B 577 73.857 11.272 8.873 1.00 0.00 N ATOM 2090 CA PHE B 577 74.826 10.598 7.959 1.00 0.00 C ATOM 2091 C PHE B 577 75.309 11.758 7.096 1.00 0.00 C ATOM 2092 O PHE B 577 76.482 12.027 6.924 1.00 0.00 O ATOM 2093 CB PHE B 577 74.163 9.457 7.149 1.00 0.00 C ATOM 2094 CG PHE B 577 74.816 9.301 5.790 1.00 0.00 C ATOM 2095 CD1 PHE B 577 75.784 8.310 5.570 1.00 0.00 C ATOM 2096 CD2 PHE B 577 74.447 10.153 4.752 1.00 0.00 C ATOM 2097 CE1 PHE B 577 76.379 8.183 4.309 1.00 0.00 C ATOM 2098 CE2 PHE B 577 75.039 10.027 3.490 1.00 0.00 C ATOM 2099 CZ PHE B 577 76.007 9.042 3.269 1.00 0.00 C ATOM 0 H PHE B 577 73.444 12.115 8.473 1.00 0.00 H new ATOM 0 HA PHE B 577 75.642 10.088 8.471 1.00 0.00 H new ATOM 0 HB2 PHE B 577 74.241 8.521 7.703 1.00 0.00 H new ATOM 0 HB3 PHE B 577 73.101 9.666 7.023 1.00 0.00 H new ATOM 0 HD1 PHE B 577 76.070 7.646 6.372 1.00 0.00 H new ATOM 0 HD2 PHE B 577 73.700 10.915 4.922 1.00 0.00 H new ATOM 0 HE1 PHE B 577 77.126 7.421 4.139 1.00 0.00 H new ATOM 0 HE2 PHE B 577 74.749 10.689 2.688 1.00 0.00 H new ATOM 0 HZ PHE B 577 76.467 8.945 2.297 1.00 0.00 H new ATOM 2109 N CYS B 578 74.316 12.485 6.628 1.00 0.00 N ATOM 2110 CA CYS B 578 74.501 13.723 5.827 1.00 0.00 C ATOM 2111 C CYS B 578 73.568 14.752 6.475 1.00 0.00 C ATOM 2112 O CYS B 578 72.443 14.948 6.075 1.00 0.00 O ATOM 2113 CB CYS B 578 74.113 13.498 4.355 1.00 0.00 C ATOM 2114 SG CYS B 578 72.354 13.069 4.216 1.00 0.00 S ATOM 0 H CYS B 578 73.336 12.247 6.784 1.00 0.00 H new ATOM 0 HA CYS B 578 75.541 14.048 5.822 1.00 0.00 H new ATOM 0 HB2 CYS B 578 74.320 14.399 3.777 1.00 0.00 H new ATOM 0 HB3 CYS B 578 74.722 12.700 3.931 1.00 0.00 H new ATOM 0 HG CYS B 578 71.667 13.775 5.065 1.00 0.00 H new ATOM 2119 N LEU B 579 74.021 15.343 7.531 1.00 0.00 N ATOM 2120 CA LEU B 579 73.190 16.308 8.306 1.00 0.00 C ATOM 2121 C LEU B 579 72.593 17.434 7.447 1.00 0.00 C ATOM 2122 O LEU B 579 72.173 18.433 7.996 1.00 0.00 O ATOM 2123 CB LEU B 579 74.080 16.936 9.386 1.00 0.00 C ATOM 2124 CG LEU B 579 74.508 15.860 10.432 1.00 0.00 C ATOM 2125 CD1 LEU B 579 76.017 15.958 10.700 1.00 0.00 C ATOM 2126 CD2 LEU B 579 73.748 16.072 11.754 1.00 0.00 C ATOM 0 H LEU B 579 74.958 15.198 7.906 1.00 0.00 H new ATOM 0 HA LEU B 579 72.351 15.754 8.726 1.00 0.00 H new ATOM 0 HB2 LEU B 579 74.964 17.377 8.926 1.00 0.00 H new ATOM 0 HB3 LEU B 579 73.543 17.743 9.884 1.00 0.00 H new ATOM 0 HG LEU B 579 74.271 14.875 10.031 1.00 0.00 H new ATOM 0 HD11 LEU B 579 76.306 15.203 11.431 1.00 0.00 H new ATOM 0 HD12 LEU B 579 76.563 15.792 9.771 1.00 0.00 H new ATOM 0 HD13 LEU B 579 76.254 16.949 11.088 1.00 0.00 H new ATOM 0 HD21 LEU B 579 74.055 15.315 12.476 1.00 0.00 H new ATOM 0 HD22 LEU B 579 73.974 17.063 12.149 1.00 0.00 H new ATOM 0 HD23 LEU B 579 72.676 15.989 11.575 1.00 0.00 H new ATOM 2138 N LYS B 580 72.556 17.347 6.130 1.00 0.00 N ATOM 2139 CA LYS B 580 71.988 18.520 5.378 1.00 0.00 C ATOM 2140 C LYS B 580 70.456 18.445 5.232 1.00 0.00 C ATOM 2141 O LYS B 580 69.794 19.459 5.326 1.00 0.00 O ATOM 2142 CB LYS B 580 72.665 18.605 3.977 1.00 0.00 C ATOM 2143 CG LYS B 580 71.900 17.829 2.875 1.00 0.00 C ATOM 2144 CD LYS B 580 72.010 16.321 3.118 1.00 0.00 C ATOM 2145 CE LYS B 580 70.877 15.594 2.393 1.00 0.00 C ATOM 2146 NZ LYS B 580 70.691 16.187 1.038 1.00 0.00 N ATOM 0 H LYS B 580 72.877 16.558 5.569 1.00 0.00 H new ATOM 0 HA LYS B 580 72.200 19.421 5.953 1.00 0.00 H new ATOM 0 HB2 LYS B 580 72.746 19.652 3.684 1.00 0.00 H new ATOM 0 HB3 LYS B 580 73.680 18.214 4.048 1.00 0.00 H new ATOM 0 HG2 LYS B 580 70.852 18.129 2.870 1.00 0.00 H new ATOM 0 HG3 LYS B 580 72.308 18.078 1.895 1.00 0.00 H new ATOM 0 HD2 LYS B 580 72.974 15.956 2.763 1.00 0.00 H new ATOM 0 HD3 LYS B 580 71.963 16.111 4.187 1.00 0.00 H new ATOM 0 HE2 LYS B 580 71.108 14.532 2.308 1.00 0.00 H new ATOM 0 HE3 LYS B 580 69.954 15.675 2.967 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 70.185 15.512 0.430 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 70.138 17.064 1.116 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 71.620 16.399 0.621 1.00 0.00 H new ATOM 2160 N GLN B 581 69.854 17.292 5.029 1.00 0.00 N ATOM 2161 CA GLN B 581 68.357 17.299 4.923 1.00 0.00 C ATOM 2162 C GLN B 581 67.700 15.941 5.162 1.00 0.00 C ATOM 2163 O GLN B 581 68.144 14.915 4.686 1.00 0.00 O ATOM 2164 CB GLN B 581 67.924 17.855 3.573 1.00 0.00 C ATOM 2165 CG GLN B 581 66.424 18.181 3.606 1.00 0.00 C ATOM 2166 CD GLN B 581 66.184 19.454 4.415 1.00 0.00 C ATOM 2167 OE1 GLN B 581 65.978 20.512 3.856 1.00 0.00 O ATOM 2168 NE2 GLN B 581 66.199 19.397 5.716 1.00 0.00 N ATOM 0 H GLN B 581 70.310 16.385 4.936 1.00 0.00 H new ATOM 0 HA GLN B 581 68.011 17.946 5.729 1.00 0.00 H new ATOM 0 HB2 GLN B 581 68.496 18.752 3.338 1.00 0.00 H new ATOM 0 HB3 GLN B 581 68.131 17.130 2.786 1.00 0.00 H new ATOM 0 HG2 GLN B 581 66.049 18.309 2.591 1.00 0.00 H new ATOM 0 HG3 GLN B 581 65.873 17.351 4.047 1.00 0.00 H new ATOM 0 HE21 GLN B 581 66.372 18.508 6.186 1.00 0.00 H new ATOM 0 HE22 GLN B 581 66.038 20.241 6.265 1.00 0.00 H new ATOM 2177 N LEU B 582 66.585 15.964 5.843 1.00 0.00 N ATOM 2178 CA LEU B 582 65.785 14.726 6.082 1.00 0.00 C ATOM 2179 C LEU B 582 64.303 15.059 5.890 1.00 0.00 C ATOM 2180 O LEU B 582 63.928 16.208 5.772 1.00 0.00 O ATOM 2181 CB LEU B 582 66.029 14.253 7.503 1.00 0.00 C ATOM 2182 CG LEU B 582 65.501 12.826 7.743 1.00 0.00 C ATOM 2183 CD1 LEU B 582 66.169 11.818 6.776 1.00 0.00 C ATOM 2184 CD2 LEU B 582 65.792 12.441 9.208 1.00 0.00 C ATOM 0 H LEU B 582 66.186 16.808 6.253 1.00 0.00 H new ATOM 0 HA LEU B 582 66.075 13.940 5.385 1.00 0.00 H new ATOM 0 HB2 LEU B 582 67.098 14.283 7.715 1.00 0.00 H new ATOM 0 HB3 LEU B 582 65.546 14.939 8.200 1.00 0.00 H new ATOM 0 HG LEU B 582 64.428 12.797 7.554 1.00 0.00 H new ATOM 0 HD11 LEU B 582 65.779 10.818 6.966 1.00 0.00 H new ATOM 0 HD12 LEU B 582 65.952 12.103 5.747 1.00 0.00 H new ATOM 0 HD13 LEU B 582 67.248 11.823 6.934 1.00 0.00 H new ATOM 0 HD21 LEU B 582 65.425 11.432 9.399 1.00 0.00 H new ATOM 0 HD22 LEU B 582 66.867 12.476 9.387 1.00 0.00 H new ATOM 0 HD23 LEU B 582 65.290 13.142 9.875 1.00 0.00 H new ATOM 2196 N ASN B 583 63.459 14.064 5.856 1.00 0.00 N ATOM 2197 CA ASN B 583 61.997 14.317 5.666 1.00 0.00 C ATOM 2198 C ASN B 583 61.194 13.276 6.450 1.00 0.00 C ATOM 2199 O ASN B 583 61.460 12.093 6.392 1.00 0.00 O ATOM 2200 CB ASN B 583 61.651 14.207 4.173 1.00 0.00 C ATOM 2201 CG ASN B 583 61.994 15.510 3.456 1.00 0.00 C ATOM 2202 OD1 ASN B 583 62.318 16.500 4.080 1.00 0.00 O ATOM 2203 ND2 ASN B 583 61.929 15.548 2.157 1.00 0.00 N ATOM 0 H ASN B 583 63.718 13.082 5.952 1.00 0.00 H new ATOM 0 HA ASN B 583 61.750 15.316 6.027 1.00 0.00 H new ATOM 0 HB2 ASN B 583 62.202 13.380 3.724 1.00 0.00 H new ATOM 0 HB3 ASN B 583 60.590 13.986 4.053 1.00 0.00 H new ATOM 0 HD21 ASN B 583 62.151 16.411 1.660 1.00 0.00 H new ATOM 0 HD22 ASN B 583 61.657 14.715 1.635 1.00 0.00 H new ATOM 2210 N LYS B 584 60.204 13.718 7.171 1.00 0.00 N ATOM 2211 CA LYS B 584 59.360 12.783 7.959 1.00 0.00 C ATOM 2212 C LYS B 584 58.790 11.713 7.038 1.00 0.00 C ATOM 2213 O LYS B 584 58.268 10.706 7.475 1.00 0.00 O ATOM 2214 CB LYS B 584 58.203 13.580 8.548 1.00 0.00 C ATOM 2215 CG LYS B 584 57.581 14.465 7.433 1.00 0.00 C ATOM 2216 CD LYS B 584 56.079 14.672 7.675 1.00 0.00 C ATOM 2217 CE LYS B 584 55.859 15.644 8.839 1.00 0.00 C ATOM 2218 NZ LYS B 584 55.944 17.044 8.336 1.00 0.00 N ATOM 0 H LYS B 584 59.941 14.701 7.248 1.00 0.00 H new ATOM 0 HA LYS B 584 59.953 12.312 8.743 1.00 0.00 H new ATOM 0 HB2 LYS B 584 57.451 12.906 8.957 1.00 0.00 H new ATOM 0 HB3 LYS B 584 58.555 14.202 9.371 1.00 0.00 H new ATOM 0 HG2 LYS B 584 58.086 15.431 7.405 1.00 0.00 H new ATOM 0 HG3 LYS B 584 57.736 13.996 6.461 1.00 0.00 H new ATOM 0 HD2 LYS B 584 55.608 15.062 6.772 1.00 0.00 H new ATOM 0 HD3 LYS B 584 55.604 13.716 7.895 1.00 0.00 H new ATOM 0 HE2 LYS B 584 54.885 15.468 9.295 1.00 0.00 H new ATOM 0 HE3 LYS B 584 56.608 15.478 9.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 584 55.432 17.677 8.983 1.00 0.00 H new ATOM 0 HZ2 LYS B 584 56.941 17.335 8.285 1.00 0.00 H new ATOM 0 HZ3 LYS B 584 55.518 17.099 7.389 1.00 0.00 H new ATOM 2232 N GLY B 585 58.869 11.939 5.763 1.00 0.00 N ATOM 2233 CA GLY B 585 58.324 10.961 4.787 1.00 0.00 C ATOM 2234 C GLY B 585 59.432 10.015 4.371 1.00 0.00 C ATOM 2235 O GLY B 585 59.196 8.961 3.816 1.00 0.00 O ATOM 0 H GLY B 585 59.293 12.769 5.349 1.00 0.00 H new ATOM 0 HA2 GLY B 585 57.500 10.404 5.232 1.00 0.00 H new ATOM 0 HA3 GLY B 585 57.924 11.480 3.916 1.00 0.00 H new ATOM 2239 N THR B 586 60.645 10.394 4.643 1.00 0.00 N ATOM 2240 CA THR B 586 61.807 9.538 4.280 1.00 0.00 C ATOM 2241 C THR B 586 62.796 9.528 5.435 1.00 0.00 C ATOM 2242 O THR B 586 63.984 9.366 5.239 1.00 0.00 O ATOM 2243 CB THR B 586 62.483 10.106 3.033 1.00 0.00 C ATOM 2244 OG1 THR B 586 63.387 11.133 3.413 1.00 0.00 O ATOM 2245 CG2 THR B 586 61.415 10.680 2.103 1.00 0.00 C ATOM 0 H THR B 586 60.886 11.270 5.107 1.00 0.00 H new ATOM 0 HA THR B 586 61.470 8.521 4.077 1.00 0.00 H new ATOM 0 HB THR B 586 63.031 9.317 2.517 1.00 0.00 H new ATOM 0 HG1 THR B 586 64.137 10.742 3.909 1.00 0.00 H new ATOM 0 HG21 THR B 586 61.890 11.087 1.211 1.00 0.00 H new ATOM 0 HG22 THR B 586 60.720 9.891 1.816 1.00 0.00 H new ATOM 0 HG23 THR B 586 60.872 11.472 2.618 1.00 0.00 H new ATOM 2253 N PHE B 587 62.325 9.700 6.646 1.00 0.00 N ATOM 2254 CA PHE B 587 63.275 9.696 7.804 1.00 0.00 C ATOM 2255 C PHE B 587 63.449 8.267 8.328 1.00 0.00 C ATOM 2256 O PHE B 587 62.550 7.664 8.882 1.00 0.00 O ATOM 2257 CB PHE B 587 62.772 10.626 8.924 1.00 0.00 C ATOM 2258 CG PHE B 587 61.753 9.929 9.809 1.00 0.00 C ATOM 2259 CD1 PHE B 587 60.503 9.574 9.292 1.00 0.00 C ATOM 2260 CD2 PHE B 587 62.066 9.637 11.146 1.00 0.00 C ATOM 2261 CE1 PHE B 587 59.565 8.929 10.108 1.00 0.00 C ATOM 2262 CE2 PHE B 587 61.128 8.992 11.960 1.00 0.00 C ATOM 2263 CZ PHE B 587 59.877 8.638 11.442 1.00 0.00 C ATOM 0 H PHE B 587 61.343 9.841 6.882 1.00 0.00 H new ATOM 0 HA PHE B 587 64.242 10.068 7.466 1.00 0.00 H new ATOM 0 HB2 PHE B 587 63.615 10.958 9.530 1.00 0.00 H new ATOM 0 HB3 PHE B 587 62.325 11.518 8.485 1.00 0.00 H new ATOM 0 HD1 PHE B 587 60.261 9.797 8.263 1.00 0.00 H new ATOM 0 HD2 PHE B 587 63.031 9.910 11.547 1.00 0.00 H new ATOM 0 HE1 PHE B 587 58.600 8.656 9.708 1.00 0.00 H new ATOM 0 HE2 PHE B 587 61.370 8.767 12.988 1.00 0.00 H new ATOM 0 HZ PHE B 587 59.153 8.141 12.070 1.00 0.00 H new ATOM 2273 N LYS B 588 64.618 7.732 8.142 1.00 0.00 N ATOM 2274 CA LYS B 588 64.926 6.349 8.604 1.00 0.00 C ATOM 2275 C LYS B 588 65.775 6.472 9.876 1.00 0.00 C ATOM 2276 O LYS B 588 66.244 7.540 10.208 1.00 0.00 O ATOM 2277 CB LYS B 588 65.692 5.636 7.461 1.00 0.00 C ATOM 2278 CG LYS B 588 65.150 4.216 7.151 1.00 0.00 C ATOM 2279 CD LYS B 588 63.610 4.134 6.977 1.00 0.00 C ATOM 2280 CE LYS B 588 63.023 5.383 6.303 1.00 0.00 C ATOM 2281 NZ LYS B 588 61.811 4.992 5.528 1.00 0.00 N ATOM 0 H LYS B 588 65.394 8.204 7.678 1.00 0.00 H new ATOM 0 HA LYS B 588 64.034 5.767 8.836 1.00 0.00 H new ATOM 0 HB2 LYS B 588 65.633 6.245 6.559 1.00 0.00 H new ATOM 0 HB3 LYS B 588 66.746 5.564 7.729 1.00 0.00 H new ATOM 0 HG2 LYS B 588 65.625 3.851 6.240 1.00 0.00 H new ATOM 0 HG3 LYS B 588 65.447 3.544 7.956 1.00 0.00 H new ATOM 0 HD2 LYS B 588 63.362 3.255 6.383 1.00 0.00 H new ATOM 0 HD3 LYS B 588 63.145 4.000 7.954 1.00 0.00 H new ATOM 0 HE2 LYS B 588 62.765 6.130 7.054 1.00 0.00 H new ATOM 0 HE3 LYS B 588 63.762 5.837 5.643 1.00 0.00 H new ATOM 0 HZ1 LYS B 588 61.407 5.833 5.068 1.00 0.00 H new ATOM 0 HZ2 LYS B 588 62.073 4.293 4.804 1.00 0.00 H new ATOM 0 HZ3 LYS B 588 61.107 4.577 6.171 1.00 0.00 H new ATOM 2295 N GLU B 589 65.957 5.409 10.609 1.00 0.00 N ATOM 2296 CA GLU B 589 66.754 5.513 11.869 1.00 0.00 C ATOM 2297 C GLU B 589 67.408 4.177 12.210 1.00 0.00 C ATOM 2298 O GLU B 589 66.971 3.114 11.816 1.00 0.00 O ATOM 2299 CB GLU B 589 65.837 5.963 13.023 1.00 0.00 C ATOM 2300 CG GLU B 589 66.450 5.616 14.391 1.00 0.00 C ATOM 2301 CD GLU B 589 65.689 6.357 15.492 1.00 0.00 C ATOM 2302 OE1 GLU B 589 66.115 7.443 15.851 1.00 0.00 O ATOM 2303 OE2 GLU B 589 64.693 5.827 15.957 1.00 0.00 O ATOM 0 H GLU B 589 65.593 4.480 10.395 1.00 0.00 H new ATOM 0 HA GLU B 589 67.544 6.250 11.723 1.00 0.00 H new ATOM 0 HB2 GLU B 589 65.669 7.038 12.959 1.00 0.00 H new ATOM 0 HB3 GLU B 589 64.864 5.482 12.926 1.00 0.00 H new ATOM 0 HG2 GLU B 589 66.402 4.540 14.561 1.00 0.00 H new ATOM 0 HG3 GLU B 589 67.504 5.895 14.411 1.00 0.00 H new ATOM 2310 N GLN B 590 68.443 4.262 12.979 1.00 0.00 N ATOM 2311 CA GLN B 590 69.180 3.069 13.440 1.00 0.00 C ATOM 2312 C GLN B 590 69.951 3.499 14.684 1.00 0.00 C ATOM 2313 O GLN B 590 70.379 4.631 14.791 1.00 0.00 O ATOM 2314 CB GLN B 590 70.154 2.572 12.355 1.00 0.00 C ATOM 2315 CG GLN B 590 70.479 1.075 12.572 1.00 0.00 C ATOM 2316 CD GLN B 590 69.573 0.199 11.697 1.00 0.00 C ATOM 2317 OE1 GLN B 590 68.370 0.185 11.868 1.00 0.00 O ATOM 2318 NE2 GLN B 590 70.110 -0.536 10.761 1.00 0.00 N ATOM 0 H GLN B 590 68.823 5.145 13.320 1.00 0.00 H new ATOM 0 HA GLN B 590 68.497 2.248 13.655 1.00 0.00 H new ATOM 0 HB2 GLN B 590 69.715 2.717 11.368 1.00 0.00 H new ATOM 0 HB3 GLN B 590 71.072 3.159 12.384 1.00 0.00 H new ATOM 0 HG2 GLN B 590 71.524 0.884 12.329 1.00 0.00 H new ATOM 0 HG3 GLN B 590 70.343 0.815 13.622 1.00 0.00 H new ATOM 0 HE21 GLN B 590 71.120 -0.523 10.619 1.00 0.00 H new ATOM 0 HE22 GLN B 590 69.520 -1.123 10.172 1.00 0.00 H new ATOM 2327 N ASN B 591 70.126 2.628 15.628 1.00 0.00 N ATOM 2328 CA ASN B 591 70.862 3.013 16.866 1.00 0.00 C ATOM 2329 C ASN B 591 70.309 4.352 17.399 1.00 0.00 C ATOM 2330 O ASN B 591 70.975 5.044 18.137 1.00 0.00 O ATOM 2331 CB ASN B 591 72.391 3.119 16.589 1.00 0.00 C ATOM 2332 CG ASN B 591 72.678 3.098 15.089 1.00 0.00 C ATOM 2333 OD1 ASN B 591 73.344 3.972 14.570 1.00 0.00 O ATOM 2334 ND2 ASN B 591 72.201 2.128 14.372 1.00 0.00 N ATOM 0 H ASN B 591 69.793 1.664 15.601 1.00 0.00 H new ATOM 0 HA ASN B 591 70.714 2.241 17.621 1.00 0.00 H new ATOM 0 HB2 ASN B 591 72.780 4.039 17.025 1.00 0.00 H new ATOM 0 HB3 ASN B 591 72.910 2.292 17.074 1.00 0.00 H new ATOM 0 HD21 ASN B 591 72.385 2.097 13.369 1.00 0.00 H new ATOM 0 HD22 ASN B 591 71.642 1.396 14.811 1.00 0.00 H new ATOM 2341 N ASP B 592 69.088 4.696 17.041 1.00 0.00 N ATOM 2342 CA ASP B 592 68.447 5.967 17.533 1.00 0.00 C ATOM 2343 C ASP B 592 68.927 7.169 16.719 1.00 0.00 C ATOM 2344 O ASP B 592 68.459 8.276 16.898 1.00 0.00 O ATOM 2345 CB ASP B 592 68.788 6.203 19.011 1.00 0.00 C ATOM 2346 CG ASP B 592 68.811 4.869 19.762 1.00 0.00 C ATOM 2347 OD1 ASP B 592 69.656 4.715 20.629 1.00 0.00 O ATOM 2348 OD2 ASP B 592 67.984 4.026 19.457 1.00 0.00 O ATOM 0 H ASP B 592 68.500 4.141 16.419 1.00 0.00 H new ATOM 0 HA ASP B 592 67.369 5.859 17.417 1.00 0.00 H new ATOM 0 HB2 ASP B 592 69.757 6.694 19.095 1.00 0.00 H new ATOM 0 HB3 ASP B 592 68.053 6.870 19.460 1.00 0.00 H new ATOM 2353 N LYS B 593 69.858 6.968 15.843 1.00 0.00 N ATOM 2354 CA LYS B 593 70.378 8.095 15.032 1.00 0.00 C ATOM 2355 C LYS B 593 69.558 8.215 13.734 1.00 0.00 C ATOM 2356 O LYS B 593 69.575 7.307 12.927 1.00 0.00 O ATOM 2357 CB LYS B 593 71.821 7.788 14.670 1.00 0.00 C ATOM 2358 CG LYS B 593 72.618 7.427 15.927 1.00 0.00 C ATOM 2359 CD LYS B 593 74.112 7.647 15.659 1.00 0.00 C ATOM 2360 CE LYS B 593 74.927 7.313 16.914 1.00 0.00 C ATOM 2361 NZ LYS B 593 74.923 8.483 17.838 1.00 0.00 N ATOM 0 H LYS B 593 70.287 6.063 15.650 1.00 0.00 H new ATOM 0 HA LYS B 593 70.308 9.026 15.594 1.00 0.00 H new ATOM 0 HB2 LYS B 593 71.857 6.963 13.959 1.00 0.00 H new ATOM 0 HB3 LYS B 593 72.272 8.651 14.180 1.00 0.00 H new ATOM 0 HG2 LYS B 593 72.293 8.041 16.767 1.00 0.00 H new ATOM 0 HG3 LYS B 593 72.435 6.388 16.202 1.00 0.00 H new ATOM 0 HD2 LYS B 593 74.436 7.021 14.828 1.00 0.00 H new ATOM 0 HD3 LYS B 593 74.288 8.682 15.366 1.00 0.00 H new ATOM 0 HE2 LYS B 593 74.504 6.441 17.413 1.00 0.00 H new ATOM 0 HE3 LYS B 593 75.950 7.058 16.638 1.00 0.00 H new ATOM 0 HZ1 LYS B 593 75.476 8.255 18.689 1.00 0.00 H new ATOM 0 HZ2 LYS B 593 75.345 9.304 17.360 1.00 0.00 H new ATOM 0 HZ3 LYS B 593 73.945 8.707 18.111 1.00 0.00 H new ATOM 2375 N PRO B 594 68.849 9.303 13.499 1.00 0.00 N ATOM 2376 CA PRO B 594 68.063 9.426 12.239 1.00 0.00 C ATOM 2377 C PRO B 594 68.904 9.088 10.996 1.00 0.00 C ATOM 2378 O PRO B 594 70.114 9.002 11.060 1.00 0.00 O ATOM 2379 CB PRO B 594 67.655 10.904 12.272 1.00 0.00 C ATOM 2380 CG PRO B 594 67.737 11.370 13.727 1.00 0.00 C ATOM 2381 CD PRO B 594 68.760 10.469 14.433 1.00 0.00 C ATOM 0 HA PRO B 594 67.221 8.737 12.177 1.00 0.00 H new ATOM 0 HB2 PRO B 594 68.316 11.499 11.641 1.00 0.00 H new ATOM 0 HB3 PRO B 594 66.644 11.032 11.885 1.00 0.00 H new ATOM 0 HG2 PRO B 594 68.043 12.415 13.780 1.00 0.00 H new ATOM 0 HG3 PRO B 594 66.762 11.298 14.210 1.00 0.00 H new ATOM 0 HD2 PRO B 594 69.722 10.965 14.558 1.00 0.00 H new ATOM 0 HD3 PRO B 594 68.424 10.171 15.426 1.00 0.00 H new ATOM 2389 N TYR B 595 68.269 8.885 9.873 1.00 0.00 N ATOM 2390 CA TYR B 595 69.032 8.539 8.633 1.00 0.00 C ATOM 2391 C TYR B 595 68.101 8.594 7.420 1.00 0.00 C ATOM 2392 O TYR B 595 67.005 8.070 7.456 1.00 0.00 O ATOM 2393 CB TYR B 595 69.536 7.081 8.705 1.00 0.00 C ATOM 2394 CG TYR B 595 70.739 6.907 9.613 1.00 0.00 C ATOM 2395 CD1 TYR B 595 70.630 6.136 10.778 1.00 0.00 C ATOM 2396 CD2 TYR B 595 71.975 7.465 9.263 1.00 0.00 C ATOM 2397 CE1 TYR B 595 71.748 5.927 11.589 1.00 0.00 C ATOM 2398 CE2 TYR B 595 73.094 7.257 10.084 1.00 0.00 C ATOM 2399 CZ TYR B 595 72.979 6.488 11.243 1.00 0.00 C ATOM 2400 OH TYR B 595 74.082 6.281 12.046 1.00 0.00 O ATOM 0 H TYR B 595 67.257 8.943 9.758 1.00 0.00 H new ATOM 0 HA TYR B 595 69.858 9.245 8.547 1.00 0.00 H new ATOM 0 HB2 TYR B 595 68.727 6.441 9.058 1.00 0.00 H new ATOM 0 HB3 TYR B 595 69.795 6.743 7.702 1.00 0.00 H new ATOM 0 HD1 TYR B 595 69.679 5.702 11.050 1.00 0.00 H new ATOM 0 HD2 TYR B 595 72.067 8.054 8.363 1.00 0.00 H new ATOM 0 HE1 TYR B 595 71.660 5.331 12.485 1.00 0.00 H new ATOM 0 HE2 TYR B 595 74.046 7.693 9.818 1.00 0.00 H new ATOM 0 HH TYR B 595 74.858 6.740 11.661 1.00 0.00 H new ATOM 2410 N CYS B 596 68.548 9.124 6.316 1.00 0.00 N ATOM 2411 CA CYS B 596 67.681 9.064 5.114 1.00 0.00 C ATOM 2412 C CYS B 596 67.670 7.598 4.732 1.00 0.00 C ATOM 2413 O CYS B 596 68.611 6.883 5.013 1.00 0.00 O ATOM 2414 CB CYS B 596 68.252 9.879 3.941 1.00 0.00 C ATOM 2415 SG CYS B 596 68.790 11.516 4.485 1.00 0.00 S ATOM 0 H CYS B 596 69.451 9.583 6.197 1.00 0.00 H new ATOM 0 HA CYS B 596 66.695 9.477 5.326 1.00 0.00 H new ATOM 0 HB2 CYS B 596 69.093 9.345 3.499 1.00 0.00 H new ATOM 0 HB3 CYS B 596 67.495 9.982 3.163 1.00 0.00 H new ATOM 0 HG CYS B 596 69.780 11.393 5.319 1.00 0.00 H new ATOM 2420 N GLN B 597 66.653 7.119 4.100 1.00 0.00 N ATOM 2421 CA GLN B 597 66.672 5.688 3.732 1.00 0.00 C ATOM 2422 C GLN B 597 67.929 5.459 2.887 1.00 0.00 C ATOM 2423 O GLN B 597 68.772 4.651 3.213 1.00 0.00 O ATOM 2424 CB GLN B 597 65.364 5.354 2.976 1.00 0.00 C ATOM 2425 CG GLN B 597 65.537 4.192 1.981 1.00 0.00 C ATOM 2426 CD GLN B 597 65.360 2.859 2.703 1.00 0.00 C ATOM 2427 OE1 GLN B 597 65.026 1.861 2.097 1.00 0.00 O ATOM 2428 NE2 GLN B 597 65.575 2.807 3.982 1.00 0.00 N ATOM 0 H GLN B 597 65.822 7.642 3.825 1.00 0.00 H new ATOM 0 HA GLN B 597 66.713 5.028 4.598 1.00 0.00 H new ATOM 0 HB2 GLN B 597 64.587 5.098 3.697 1.00 0.00 H new ATOM 0 HB3 GLN B 597 65.022 6.239 2.440 1.00 0.00 H new ATOM 0 HG2 GLN B 597 64.807 4.279 1.176 1.00 0.00 H new ATOM 0 HG3 GLN B 597 66.525 4.239 1.522 1.00 0.00 H new ATOM 0 HE21 GLN B 597 65.855 3.648 4.487 1.00 0.00 H new ATOM 0 HE22 GLN B 597 65.464 1.925 4.482 1.00 0.00 H new ATOM 2437 N ASN B 598 68.061 6.183 1.813 1.00 0.00 N ATOM 2438 CA ASN B 598 69.257 6.027 0.940 1.00 0.00 C ATOM 2439 C ASN B 598 70.523 5.987 1.800 1.00 0.00 C ATOM 2440 O ASN B 598 71.497 5.344 1.460 1.00 0.00 O ATOM 2441 CB ASN B 598 69.321 7.210 -0.037 1.00 0.00 C ATOM 2442 CG ASN B 598 67.908 7.634 -0.409 1.00 0.00 C ATOM 2443 OD1 ASN B 598 67.543 8.786 -0.273 1.00 0.00 O ATOM 2444 ND2 ASN B 598 67.095 6.741 -0.876 1.00 0.00 N ATOM 0 H ASN B 598 67.387 6.882 1.500 1.00 0.00 H new ATOM 0 HA ASN B 598 69.185 5.096 0.378 1.00 0.00 H new ATOM 0 HB2 ASN B 598 69.855 8.044 0.419 1.00 0.00 H new ATOM 0 HB3 ASN B 598 69.875 6.927 -0.932 1.00 0.00 H new ATOM 0 HD21 ASN B 598 66.143 7.002 -1.132 1.00 0.00 H new ATOM 0 HD22 ASN B 598 67.407 5.776 -0.988 1.00 0.00 H new ATOM 2451 N CYS B 599 70.512 6.659 2.918 1.00 0.00 N ATOM 2452 CA CYS B 599 71.703 6.649 3.798 1.00 0.00 C ATOM 2453 C CYS B 599 71.689 5.372 4.629 1.00 0.00 C ATOM 2454 O CYS B 599 72.584 4.566 4.543 1.00 0.00 O ATOM 2455 CB CYS B 599 71.660 7.858 4.735 1.00 0.00 C ATOM 2456 SG CYS B 599 71.769 9.385 3.771 1.00 0.00 S ATOM 0 H CYS B 599 69.726 7.214 3.256 1.00 0.00 H new ATOM 0 HA CYS B 599 72.608 6.693 3.192 1.00 0.00 H new ATOM 0 HB2 CYS B 599 70.737 7.848 5.314 1.00 0.00 H new ATOM 0 HB3 CYS B 599 72.484 7.807 5.447 1.00 0.00 H new ATOM 0 HG CYS B 599 72.972 9.871 3.862 1.00 0.00 H new ATOM 2461 N PHE B 600 70.669 5.194 5.429 1.00 0.00 N ATOM 2462 CA PHE B 600 70.564 3.983 6.291 1.00 0.00 C ATOM 2463 C PHE B 600 70.607 2.714 5.429 1.00 0.00 C ATOM 2464 O PHE B 600 71.389 1.817 5.671 1.00 0.00 O ATOM 2465 CB PHE B 600 69.235 4.077 7.080 1.00 0.00 C ATOM 2466 CG PHE B 600 68.555 2.726 7.205 1.00 0.00 C ATOM 2467 CD1 PHE B 600 67.705 2.284 6.188 1.00 0.00 C ATOM 2468 CD2 PHE B 600 68.775 1.924 8.330 1.00 0.00 C ATOM 2469 CE1 PHE B 600 67.072 1.040 6.293 1.00 0.00 C ATOM 2470 CE2 PHE B 600 68.142 0.679 8.436 1.00 0.00 C ATOM 2471 CZ PHE B 600 67.290 0.238 7.417 1.00 0.00 C ATOM 0 H PHE B 600 69.893 5.849 5.521 1.00 0.00 H new ATOM 0 HA PHE B 600 71.402 3.932 6.986 1.00 0.00 H new ATOM 0 HB2 PHE B 600 69.431 4.478 8.074 1.00 0.00 H new ATOM 0 HB3 PHE B 600 68.565 4.776 6.580 1.00 0.00 H new ATOM 0 HD1 PHE B 600 67.536 2.903 5.319 1.00 0.00 H new ATOM 0 HD2 PHE B 600 69.432 2.265 9.116 1.00 0.00 H new ATOM 0 HE1 PHE B 600 66.415 0.700 5.506 1.00 0.00 H new ATOM 0 HE2 PHE B 600 68.311 0.059 9.304 1.00 0.00 H new ATOM 0 HZ PHE B 600 66.801 -0.722 7.499 1.00 0.00 H new ATOM 2481 N LEU B 601 69.759 2.617 4.445 1.00 0.00 N ATOM 2482 CA LEU B 601 69.750 1.392 3.602 1.00 0.00 C ATOM 2483 C LEU B 601 71.180 1.086 3.147 1.00 0.00 C ATOM 2484 O LEU B 601 71.613 -0.048 3.168 1.00 0.00 O ATOM 2485 CB LEU B 601 68.773 1.603 2.411 1.00 0.00 C ATOM 2486 CG LEU B 601 69.491 1.708 1.044 1.00 0.00 C ATOM 2487 CD1 LEU B 601 70.125 0.350 0.644 1.00 0.00 C ATOM 2488 CD2 LEU B 601 68.467 2.132 -0.016 1.00 0.00 C ATOM 0 H LEU B 601 69.075 3.329 4.189 1.00 0.00 H new ATOM 0 HA LEU B 601 69.396 0.529 4.166 1.00 0.00 H new ATOM 0 HB2 LEU B 601 68.065 0.775 2.379 1.00 0.00 H new ATOM 0 HB3 LEU B 601 68.194 2.511 2.581 1.00 0.00 H new ATOM 0 HG LEU B 601 70.290 2.445 1.117 1.00 0.00 H new ATOM 0 HD11 LEU B 601 70.623 0.451 -0.320 1.00 0.00 H new ATOM 0 HD12 LEU B 601 70.853 0.052 1.399 1.00 0.00 H new ATOM 0 HD13 LEU B 601 69.345 -0.408 0.572 1.00 0.00 H new ATOM 0 HD21 LEU B 601 68.958 2.210 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU B 601 67.672 1.389 -0.071 1.00 0.00 H new ATOM 0 HD23 LEU B 601 68.042 3.099 0.255 1.00 0.00 H new ATOM 2500 N LYS B 602 71.914 2.078 2.736 1.00 0.00 N ATOM 2501 CA LYS B 602 73.303 1.814 2.283 1.00 0.00 C ATOM 2502 C LYS B 602 74.075 1.102 3.395 1.00 0.00 C ATOM 2503 O LYS B 602 75.080 0.470 3.153 1.00 0.00 O ATOM 2504 CB LYS B 602 73.999 3.137 1.938 1.00 0.00 C ATOM 2505 CG LYS B 602 75.206 2.867 1.037 1.00 0.00 C ATOM 2506 CD LYS B 602 75.790 4.201 0.563 1.00 0.00 C ATOM 2507 CE LYS B 602 77.203 3.988 0.001 1.00 0.00 C ATOM 2508 NZ LYS B 602 77.879 5.308 -0.154 1.00 0.00 N ATOM 0 H LYS B 602 71.615 3.052 2.694 1.00 0.00 H new ATOM 0 HA LYS B 602 73.278 1.182 1.395 1.00 0.00 H new ATOM 0 HB2 LYS B 602 73.300 3.806 1.435 1.00 0.00 H new ATOM 0 HB3 LYS B 602 74.320 3.639 2.851 1.00 0.00 H new ATOM 0 HG2 LYS B 602 75.961 2.299 1.581 1.00 0.00 H new ATOM 0 HG3 LYS B 602 74.907 2.262 0.181 1.00 0.00 H new ATOM 0 HD2 LYS B 602 75.148 4.637 -0.202 1.00 0.00 H new ATOM 0 HD3 LYS B 602 75.823 4.908 1.392 1.00 0.00 H new ATOM 0 HE2 LYS B 602 77.779 3.348 0.669 1.00 0.00 H new ATOM 0 HE3 LYS B 602 77.151 3.479 -0.961 1.00 0.00 H new ATOM 0 HZ1 LYS B 602 78.836 5.165 -0.535 1.00 0.00 H new ATOM 0 HZ2 LYS B 602 77.332 5.904 -0.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 602 77.941 5.777 0.772 1.00 0.00 H new ATOM 2522 N LEU B 603 73.621 1.214 4.616 1.00 0.00 N ATOM 2523 CA LEU B 603 74.343 0.559 5.751 1.00 0.00 C ATOM 2524 C LEU B 603 73.777 -0.844 5.999 1.00 0.00 C ATOM 2525 O LEU B 603 74.498 -1.823 5.973 1.00 0.00 O ATOM 2526 CB LEU B 603 74.177 1.419 7.013 1.00 0.00 C ATOM 2527 CG LEU B 603 74.184 2.899 6.624 1.00 0.00 C ATOM 2528 CD1 LEU B 603 74.132 3.777 7.880 1.00 0.00 C ATOM 2529 CD2 LEU B 603 75.452 3.220 5.822 1.00 0.00 C ATOM 0 H LEU B 603 72.781 1.731 4.878 1.00 0.00 H new ATOM 0 HA LEU B 603 75.401 0.468 5.503 1.00 0.00 H new ATOM 0 HB2 LEU B 603 73.244 1.169 7.517 1.00 0.00 H new ATOM 0 HB3 LEU B 603 74.984 1.213 7.716 1.00 0.00 H new ATOM 0 HG LEU B 603 73.307 3.105 6.011 1.00 0.00 H new ATOM 0 HD11 LEU B 603 74.138 4.828 7.590 1.00 0.00 H new ATOM 0 HD12 LEU B 603 73.222 3.560 8.439 1.00 0.00 H new ATOM 0 HD13 LEU B 603 75.000 3.569 8.506 1.00 0.00 H new ATOM 0 HD21 LEU B 603 75.452 4.275 5.548 1.00 0.00 H new ATOM 0 HD22 LEU B 603 76.331 3.003 6.429 1.00 0.00 H new ATOM 0 HD23 LEU B 603 75.475 2.610 4.919 1.00 0.00 H new ATOM 2541 N PHE B 604 72.495 -0.952 6.245 1.00 0.00 N ATOM 2542 CA PHE B 604 71.881 -2.296 6.502 1.00 0.00 C ATOM 2543 C PHE B 604 71.216 -2.809 5.215 1.00 0.00 C ATOM 2544 O PHE B 604 70.248 -3.543 5.256 1.00 0.00 O ATOM 2545 CB PHE B 604 70.829 -2.167 7.626 1.00 0.00 C ATOM 2546 CG PHE B 604 71.484 -2.362 8.982 1.00 0.00 C ATOM 2547 CD1 PHE B 604 72.515 -1.508 9.390 1.00 0.00 C ATOM 2548 CD2 PHE B 604 71.057 -3.395 9.830 1.00 0.00 C ATOM 2549 CE1 PHE B 604 73.118 -1.683 10.640 1.00 0.00 C ATOM 2550 CE2 PHE B 604 71.661 -3.570 11.080 1.00 0.00 C ATOM 2551 CZ PHE B 604 72.692 -2.714 11.485 1.00 0.00 C ATOM 0 H PHE B 604 71.844 -0.167 6.279 1.00 0.00 H new ATOM 0 HA PHE B 604 72.652 -3.003 6.810 1.00 0.00 H new ATOM 0 HB2 PHE B 604 70.356 -1.186 7.580 1.00 0.00 H new ATOM 0 HB3 PHE B 604 70.042 -2.908 7.484 1.00 0.00 H new ATOM 0 HD1 PHE B 604 72.846 -0.713 8.739 1.00 0.00 H new ATOM 0 HD2 PHE B 604 70.262 -4.056 9.518 1.00 0.00 H new ATOM 0 HE1 PHE B 604 73.913 -1.022 10.953 1.00 0.00 H new ATOM 0 HE2 PHE B 604 71.332 -4.365 11.732 1.00 0.00 H new ATOM 0 HZ PHE B 604 73.159 -2.849 12.450 1.00 0.00 H new ATOM 2561 N CYS B 605 71.729 -2.441 4.072 1.00 0.00 N ATOM 2562 CA CYS B 605 71.119 -2.924 2.798 1.00 0.00 C ATOM 2563 C CYS B 605 70.916 -4.440 2.879 1.00 0.00 C ATOM 2564 O CYS B 605 71.869 -5.160 2.627 1.00 0.00 O ATOM 2565 CB CYS B 605 72.047 -2.588 1.624 1.00 0.00 C ATOM 2566 SG CYS B 605 71.569 -3.552 0.166 1.00 0.00 S ATOM 2567 OXT CYS B 605 69.812 -4.855 3.192 1.00 0.00 O ATOM 0 H CYS B 605 72.539 -1.831 3.964 1.00 0.00 H new ATOM 0 HA CYS B 605 70.157 -2.436 2.644 1.00 0.00 H new ATOM 0 HB2 CYS B 605 71.994 -1.523 1.400 1.00 0.00 H new ATOM 0 HB3 CYS B 605 73.081 -2.806 1.892 1.00 0.00 H new ATOM 0 HG CYS B 605 71.694 -4.820 0.424 1.00 0.00 H new