USER MOD reduce.3.24.130724 H: found=0, std=0, add=1131, rem=0, adj=39 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 -120:sc= -0.0882 USER MOD Set 1.2: B 578 CYS SG : rot 44:sc= 0.85 USER MOD Set 1.3: B 596 CYS SG : rot 59:sc= -1.62 USER MOD Set 1.4: B 599 CYS SG : rot 125:sc= 0.257 USER MOD Set 2.1: B 591 ASN : amide:sc= -11.2! C(o=-11!,f=-5.8!) 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= 0.343 USER MOD Set 3.2: B 567 LYS NZ :NH3+ 134:sc= 0.0418 (180deg=0) USER MOD Set 3.3: B 584 LYS NZ :NH3+ 156:sc= -6.01! (180deg=-6.76!) USER MOD Set 4.1: B 549 CYS SG : rot -119:sc= -0.738 USER MOD Set 4.2: B 552 CYS SG : rot -178:sc= 0.37 USER MOD Set 4.3: B 569 HIS : no HE2:sc= -4.6! C(o=-9.8!,f=-22!) USER MOD Set 4.4: B 572 HIS : no HD1:sc= -4.8! C(o=-9.8!,f=-17!) USER MOD Set 5.1: A 76 HIS : no HE2:sc= -0.848! C(o=-1.5!,f=-4.4!) USER MOD Set 5.2: B 605 CYS SG : rot 174:sc= -0.676! USER MOD Set 6.1: A 75 THR OG1 : rot 84:sc= 0.0857 USER MOD Set 6.2: B 602 LYS NZ :NH3+ 165:sc= 0.575 (180deg=-1.02) USER MOD Set 7.1: A 74 LYS NZ :NH3+ 157:sc= -2.25! (180deg=-1.8) USER MOD Set 7.2: A 82 TYR OH : rot 112:sc= -1.41! USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0662 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -5.33! C(o=-5.3!,f=-5!) USER MOD Single : A 25 THR OG1 : rot 170:sc= -0.534 USER MOD Single : A 28 ASN : amide:sc= -2.65! K(o=-2.6!,f=-1.4) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.67 USER MOD Single : A 40 HIS : no HD1:sc= -0.423 X(o=-0.42,f=-0.19) USER MOD Single : A 45 MET CE :methyl -149:sc= -0.376 (180deg=-1.11) USER MOD Single : A 47 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0277) USER MOD Single : A 51 LYS NZ :NH3+ 152:sc= -4.3! (180deg=-7.34!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= -5.18! (180deg=-7.26!) USER MOD Single : A 59 SER OG : rot 170:sc= -0.761 USER MOD Single : A 61 HIS : no HE2:sc= -5.27! C(o=-5.3!,f=-5.1!) 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= 0.0633 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0449 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -2.79! K(o=-2.8!,f=-1.3) USER MOD Single : A 89 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.187) USER MOD Single : A 91 GLN : amide:sc= -8.6! C(o=-8.6!,f=-11!) 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= -3.54! K(o=-3.5!,f=-1.2) USER MOD Single : B 554 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0995) USER MOD Single : B 557 THR OG1 : rot 58:sc= 0.965 USER MOD Single : B 560 CYS SG : rot 34:sc= 0.378 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 (180deg=-0.53) USER MOD Single : B 581 GLN : amide:sc= -5.1! K(o=-5.1!,f=-1.9) USER MOD Single : B 583 ASN : amide:sc= -2.07! C(o=-2.1!,f=-4.1!) USER MOD Single : B 586 THR OG1 : rot 65:sc= 0.364 USER MOD Single : B 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 590 GLN : amide:sc= -0.402 K(o=-0.4,f=-2.7!) USER MOD Single : B 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 597 GLN : amide:sc= -5.21! K(o=-5.2!,f=-0.25) USER MOD Single : B 598 ASN : amide:sc= -0.635 X(o=-0.64,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 213 N GLY A 16 89.472 -14.341 13.249 1.00 0.00 N ATOM 214 CA GLY A 16 90.132 -13.811 12.018 1.00 0.00 C ATOM 215 C GLY A 16 89.896 -12.307 11.954 1.00 0.00 C ATOM 216 O GLY A 16 89.663 -11.743 10.904 1.00 0.00 O ATOM 0 HA2 GLY A 16 91.200 -14.027 12.038 1.00 0.00 H new ATOM 0 HA3 GLY A 16 89.725 -14.297 11.131 1.00 0.00 H new ATOM 220 N THR A 17 89.943 -11.657 13.081 1.00 0.00 N ATOM 221 CA THR A 17 89.711 -10.191 13.109 1.00 0.00 C ATOM 222 C THR A 17 90.943 -9.468 12.564 1.00 0.00 C ATOM 223 O THR A 17 92.041 -9.607 13.064 1.00 0.00 O ATOM 224 CB THR A 17 89.442 -9.743 14.559 1.00 0.00 C ATOM 225 OG1 THR A 17 90.161 -10.584 15.450 1.00 0.00 O ATOM 226 CG2 THR A 17 87.946 -9.834 14.872 1.00 0.00 C ATOM 0 H THR A 17 90.133 -12.082 13.988 1.00 0.00 H new ATOM 0 HA THR A 17 88.848 -9.946 12.490 1.00 0.00 H new ATOM 0 HB THR A 17 89.767 -8.710 14.679 1.00 0.00 H new ATOM 0 HG1 THR A 17 89.994 -10.301 16.373 1.00 0.00 H new ATOM 0 HG21 THR A 17 87.769 -9.515 15.899 1.00 0.00 H new ATOM 0 HG22 THR A 17 87.392 -9.188 14.191 1.00 0.00 H new ATOM 0 HG23 THR A 17 87.611 -10.864 14.749 1.00 0.00 H new ATOM 234 N TRP A 18 90.745 -8.689 11.542 1.00 0.00 N ATOM 235 CA TRP A 18 91.859 -7.917 10.923 1.00 0.00 C ATOM 236 C TRP A 18 91.381 -6.476 10.722 1.00 0.00 C ATOM 237 O TRP A 18 90.369 -6.233 10.097 1.00 0.00 O ATOM 238 CB TRP A 18 92.234 -8.549 9.564 1.00 0.00 C ATOM 239 CG TRP A 18 91.121 -9.416 9.056 1.00 0.00 C ATOM 240 CD1 TRP A 18 89.891 -8.980 8.699 1.00 0.00 C ATOM 241 CD2 TRP A 18 91.125 -10.856 8.834 1.00 0.00 C ATOM 242 NE1 TRP A 18 89.139 -10.062 8.276 1.00 0.00 N ATOM 243 CE2 TRP A 18 89.855 -11.240 8.341 1.00 0.00 C ATOM 244 CE3 TRP A 18 92.096 -11.858 9.013 1.00 0.00 C ATOM 245 CZ2 TRP A 18 89.560 -12.569 8.036 1.00 0.00 C ATOM 246 CZ3 TRP A 18 91.802 -13.196 8.706 1.00 0.00 C ATOM 247 CH2 TRP A 18 90.536 -13.551 8.219 1.00 0.00 C ATOM 0 H TRP A 18 89.837 -8.550 11.098 1.00 0.00 H new ATOM 0 HA TRP A 18 92.740 -7.932 11.565 1.00 0.00 H new ATOM 0 HB2 TRP A 18 92.449 -7.764 8.839 1.00 0.00 H new ATOM 0 HB3 TRP A 18 93.143 -9.141 9.671 1.00 0.00 H new ATOM 0 HD1 TRP A 18 89.552 -7.955 8.738 1.00 0.00 H new ATOM 0 HE1 TRP A 18 88.173 -9.997 7.955 1.00 0.00 H new ATOM 0 HE3 TRP A 18 93.074 -11.596 9.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 88.583 -12.837 7.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 92.556 -13.957 8.846 1.00 0.00 H new ATOM 0 HH2 TRP A 18 90.316 -14.582 7.986 1.00 0.00 H new ATOM 258 N GLU A 19 92.091 -5.513 11.247 1.00 0.00 N ATOM 259 CA GLU A 19 91.642 -4.100 11.068 1.00 0.00 C ATOM 260 C GLU A 19 92.013 -3.632 9.667 1.00 0.00 C ATOM 261 O GLU A 19 93.144 -3.746 9.237 1.00 0.00 O ATOM 262 CB GLU A 19 92.269 -3.162 12.134 1.00 0.00 C ATOM 263 CG GLU A 19 93.403 -3.869 12.863 1.00 0.00 C ATOM 264 CD GLU A 19 94.440 -4.364 11.852 1.00 0.00 C ATOM 265 OE1 GLU A 19 94.879 -3.562 11.044 1.00 0.00 O ATOM 266 OE2 GLU A 19 94.776 -5.535 11.902 1.00 0.00 O ATOM 0 H GLU A 19 92.949 -5.639 11.784 1.00 0.00 H new ATOM 0 HA GLU A 19 90.560 -4.061 11.197 1.00 0.00 H new ATOM 0 HB2 GLU A 19 92.644 -2.257 11.656 1.00 0.00 H new ATOM 0 HB3 GLU A 19 91.506 -2.852 12.848 1.00 0.00 H new ATOM 0 HG2 GLU A 19 93.871 -3.188 13.574 1.00 0.00 H new ATOM 0 HG3 GLU A 19 93.011 -4.709 13.437 1.00 0.00 H new ATOM 273 N LEU A 20 91.063 -3.094 8.955 1.00 0.00 N ATOM 274 CA LEU A 20 91.351 -2.606 7.585 1.00 0.00 C ATOM 275 C LEU A 20 91.922 -1.197 7.702 1.00 0.00 C ATOM 276 O LEU A 20 91.408 -0.371 8.423 1.00 0.00 O ATOM 277 CB LEU A 20 90.041 -2.598 6.759 1.00 0.00 C ATOM 278 CG LEU A 20 90.209 -3.395 5.448 1.00 0.00 C ATOM 279 CD1 LEU A 20 91.419 -2.869 4.648 1.00 0.00 C ATOM 280 CD2 LEU A 20 90.390 -4.898 5.761 1.00 0.00 C ATOM 0 H LEU A 20 90.099 -2.973 9.266 1.00 0.00 H new ATOM 0 HA LEU A 20 92.069 -3.253 7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 20 89.232 -3.028 7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 20 89.757 -1.571 6.530 1.00 0.00 H new ATOM 0 HG LEU A 20 89.311 -3.265 4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 20 91.523 -3.442 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 20 91.266 -1.817 4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 20 92.324 -2.975 5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 20 90.508 -5.452 4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 20 91.276 -5.037 6.380 1.00 0.00 H new ATOM 0 HD23 LEU A 20 89.514 -5.267 6.294 1.00 0.00 H new ATOM 292 N SER A 21 92.985 -0.923 7.011 1.00 0.00 N ATOM 293 CA SER A 21 93.595 0.427 7.103 1.00 0.00 C ATOM 294 C SER A 21 92.806 1.413 6.258 1.00 0.00 C ATOM 295 O SER A 21 92.300 1.082 5.204 1.00 0.00 O ATOM 296 CB SER A 21 95.038 0.369 6.601 1.00 0.00 C ATOM 297 OG SER A 21 95.801 1.380 7.247 1.00 0.00 O ATOM 0 H SER A 21 93.459 -1.574 6.386 1.00 0.00 H new ATOM 0 HA SER A 21 93.580 0.755 8.142 1.00 0.00 H new ATOM 0 HB2 SER A 21 95.467 -0.612 6.804 1.00 0.00 H new ATOM 0 HB3 SER A 21 95.065 0.511 5.521 1.00 0.00 H new ATOM 0 HG SER A 21 96.727 1.344 6.929 1.00 0.00 H new ATOM 303 N VAL A 22 92.722 2.632 6.712 1.00 0.00 N ATOM 304 CA VAL A 22 91.991 3.678 5.940 1.00 0.00 C ATOM 305 C VAL A 22 92.824 4.956 5.920 1.00 0.00 C ATOM 306 O VAL A 22 92.836 5.726 6.859 1.00 0.00 O ATOM 307 CB VAL A 22 90.609 3.939 6.563 1.00 0.00 C ATOM 308 CG1 VAL A 22 90.030 5.261 6.036 1.00 0.00 C ATOM 309 CG2 VAL A 22 89.673 2.804 6.159 1.00 0.00 C ATOM 0 H VAL A 22 93.131 2.952 7.590 1.00 0.00 H new ATOM 0 HA VAL A 22 91.836 3.334 4.917 1.00 0.00 H new ATOM 0 HB VAL A 22 90.707 3.996 7.647 1.00 0.00 H new ATOM 0 HG11 VAL A 22 89.052 5.434 6.484 1.00 0.00 H new ATOM 0 HG12 VAL A 22 90.699 6.081 6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 22 89.928 5.207 4.952 1.00 0.00 H new ATOM 0 HG21 VAL A 22 88.687 2.973 6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 22 89.590 2.770 5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 22 90.072 1.857 6.523 1.00 0.00 H new ATOM 319 N HIS A 23 93.505 5.185 4.836 1.00 0.00 N ATOM 320 CA HIS A 23 94.334 6.408 4.706 1.00 0.00 C ATOM 321 C HIS A 23 93.401 7.567 4.394 1.00 0.00 C ATOM 322 O HIS A 23 92.925 7.698 3.285 1.00 0.00 O ATOM 323 CB HIS A 23 95.300 6.207 3.539 1.00 0.00 C ATOM 324 CG HIS A 23 96.501 5.415 3.983 1.00 0.00 C ATOM 325 ND1 HIS A 23 97.797 5.822 3.705 1.00 0.00 N ATOM 326 CD2 HIS A 23 96.619 4.232 4.670 1.00 0.00 C ATOM 327 CE1 HIS A 23 98.631 4.899 4.218 1.00 0.00 C ATOM 328 NE2 HIS A 23 97.965 3.908 4.817 1.00 0.00 N ATOM 0 H HIS A 23 93.522 4.568 4.024 1.00 0.00 H new ATOM 0 HA HIS A 23 94.894 6.609 5.619 1.00 0.00 H new ATOM 0 HB2 HIS A 23 94.794 5.687 2.725 1.00 0.00 H new ATOM 0 HB3 HIS A 23 95.618 7.175 3.151 1.00 0.00 H new ATOM 0 HD2 HIS A 23 95.793 3.642 5.040 1.00 0.00 H new ATOM 0 HE1 HIS A 23 99.708 4.953 4.153 1.00 0.00 H new ATOM 0 HE2 HIS A 23 98.358 3.090 5.282 1.00 0.00 H new ATOM 336 N VAL A 24 93.116 8.413 5.346 1.00 0.00 N ATOM 337 CA VAL A 24 92.199 9.531 5.034 1.00 0.00 C ATOM 338 C VAL A 24 92.944 10.564 4.201 1.00 0.00 C ATOM 339 O VAL A 24 93.924 11.137 4.634 1.00 0.00 O ATOM 340 CB VAL A 24 91.690 10.177 6.317 1.00 0.00 C ATOM 341 CG1 VAL A 24 90.484 11.057 5.982 1.00 0.00 C ATOM 342 CG2 VAL A 24 91.273 9.094 7.316 1.00 0.00 C ATOM 0 H VAL A 24 93.471 8.377 6.302 1.00 0.00 H new ATOM 0 HA VAL A 24 91.344 9.148 4.477 1.00 0.00 H new ATOM 0 HB VAL A 24 92.480 10.782 6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 24 90.111 11.525 6.893 1.00 0.00 H new ATOM 0 HG12 VAL A 24 90.783 11.830 5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 24 89.698 10.444 5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 24 90.910 9.563 8.231 1.00 0.00 H new ATOM 0 HG22 VAL A 24 90.481 8.484 6.882 1.00 0.00 H new ATOM 0 HG23 VAL A 24 92.131 8.463 7.548 1.00 0.00 H new ATOM 352 N THR A 25 92.498 10.797 3.000 1.00 0.00 N ATOM 353 CA THR A 25 93.192 11.785 2.131 1.00 0.00 C ATOM 354 C THR A 25 92.670 13.194 2.431 1.00 0.00 C ATOM 355 O THR A 25 93.348 14.175 2.201 1.00 0.00 O ATOM 356 CB THR A 25 92.945 11.428 0.656 1.00 0.00 C ATOM 357 OG1 THR A 25 91.827 12.160 0.176 1.00 0.00 O ATOM 358 CG2 THR A 25 92.672 9.920 0.521 1.00 0.00 C ATOM 0 H THR A 25 91.684 10.346 2.583 1.00 0.00 H new ATOM 0 HA THR A 25 94.263 11.759 2.330 1.00 0.00 H new ATOM 0 HB THR A 25 93.828 11.683 0.070 1.00 0.00 H new ATOM 0 HG1 THR A 25 91.764 12.061 -0.797 1.00 0.00 H new ATOM 0 HG21 THR A 25 92.498 9.674 -0.527 1.00 0.00 H new ATOM 0 HG22 THR A 25 93.533 9.360 0.887 1.00 0.00 H new ATOM 0 HG23 THR A 25 91.792 9.656 1.107 1.00 0.00 H new ATOM 366 N ASP A 26 91.480 13.306 2.960 1.00 0.00 N ATOM 367 CA ASP A 26 90.941 14.658 3.289 1.00 0.00 C ATOM 368 C ASP A 26 91.554 15.112 4.617 1.00 0.00 C ATOM 369 O ASP A 26 91.401 16.243 5.036 1.00 0.00 O ATOM 370 CB ASP A 26 89.412 14.593 3.417 1.00 0.00 C ATOM 371 CG ASP A 26 88.853 13.601 2.398 1.00 0.00 C ATOM 372 OD1 ASP A 26 87.744 13.137 2.603 1.00 0.00 O ATOM 373 OD2 ASP A 26 89.543 13.321 1.431 1.00 0.00 O ATOM 0 H ASP A 26 90.861 12.525 3.177 1.00 0.00 H new ATOM 0 HA ASP A 26 91.195 15.364 2.498 1.00 0.00 H new ATOM 0 HB2 ASP A 26 89.134 14.288 4.426 1.00 0.00 H new ATOM 0 HB3 ASP A 26 88.981 15.581 3.252 1.00 0.00 H new ATOM 378 N LEU A 27 92.245 14.220 5.278 1.00 0.00 N ATOM 379 CA LEU A 27 92.889 14.547 6.590 1.00 0.00 C ATOM 380 C LEU A 27 94.360 14.126 6.529 1.00 0.00 C ATOM 381 O LEU A 27 95.187 14.625 7.262 1.00 0.00 O ATOM 382 CB LEU A 27 92.171 13.755 7.705 1.00 0.00 C ATOM 383 CG LEU A 27 91.068 14.605 8.358 1.00 0.00 C ATOM 384 CD1 LEU A 27 90.024 13.687 9.003 1.00 0.00 C ATOM 385 CD2 LEU A 27 91.681 15.502 9.433 1.00 0.00 C ATOM 0 H LEU A 27 92.394 13.262 4.960 1.00 0.00 H new ATOM 0 HA LEU A 27 92.819 15.615 6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 27 91.737 12.846 7.289 1.00 0.00 H new ATOM 0 HB3 LEU A 27 92.893 13.447 8.461 1.00 0.00 H new ATOM 0 HG LEU A 27 90.592 15.221 7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 27 89.244 14.292 9.465 1.00 0.00 H new ATOM 0 HD12 LEU A 27 89.582 13.046 8.240 1.00 0.00 H new ATOM 0 HD13 LEU A 27 90.502 13.070 9.763 1.00 0.00 H new ATOM 0 HD21 LEU A 27 90.898 16.104 9.895 1.00 0.00 H new ATOM 0 HD22 LEU A 27 92.160 14.884 10.193 1.00 0.00 H new ATOM 0 HD23 LEU A 27 92.423 16.159 8.979 1.00 0.00 H new ATOM 397 N ASN A 28 94.666 13.197 5.665 1.00 0.00 N ATOM 398 CA ASN A 28 96.066 12.692 5.520 1.00 0.00 C ATOM 399 C ASN A 28 96.393 11.756 6.679 1.00 0.00 C ATOM 400 O ASN A 28 97.533 11.396 6.894 1.00 0.00 O ATOM 401 CB ASN A 28 97.072 13.854 5.502 1.00 0.00 C ATOM 402 CG ASN A 28 98.376 13.378 4.870 1.00 0.00 C ATOM 403 OD1 ASN A 28 99.163 14.167 4.387 1.00 0.00 O ATOM 404 ND2 ASN A 28 98.629 12.104 4.856 1.00 0.00 N ATOM 0 H ASN A 28 93.992 12.756 5.039 1.00 0.00 H new ATOM 0 HA ASN A 28 96.141 12.155 4.574 1.00 0.00 H new ATOM 0 HB2 ASN A 28 96.666 14.694 4.938 1.00 0.00 H new ATOM 0 HB3 ASN A 28 97.254 14.209 6.516 1.00 0.00 H new ATOM 0 HD21 ASN A 28 99.493 11.760 4.437 1.00 0.00 H new ATOM 0 HD22 ASN A 28 97.963 11.447 5.264 1.00 0.00 H new ATOM 411 N ARG A 29 95.404 11.355 7.431 1.00 0.00 N ATOM 412 CA ARG A 29 95.657 10.446 8.569 1.00 0.00 C ATOM 413 C ARG A 29 95.430 9.015 8.131 1.00 0.00 C ATOM 414 O ARG A 29 95.106 8.734 6.993 1.00 0.00 O ATOM 415 CB ARG A 29 94.683 10.752 9.691 1.00 0.00 C ATOM 416 CG ARG A 29 94.927 12.168 10.201 1.00 0.00 C ATOM 417 CD ARG A 29 93.839 12.545 11.215 1.00 0.00 C ATOM 418 NE ARG A 29 94.246 12.081 12.571 1.00 0.00 N ATOM 419 CZ ARG A 29 93.382 12.091 13.549 1.00 0.00 C ATOM 420 NH1 ARG A 29 93.734 11.683 14.737 1.00 0.00 N ATOM 421 NH2 ARG A 29 92.166 12.513 13.338 1.00 0.00 N ATOM 0 H ARG A 29 94.429 11.623 7.300 1.00 0.00 H new ATOM 0 HA ARG A 29 96.683 10.583 8.909 1.00 0.00 H new ATOM 0 HB2 ARG A 29 93.658 10.654 9.334 1.00 0.00 H new ATOM 0 HB3 ARG A 29 94.808 10.035 10.502 1.00 0.00 H new ATOM 0 HG2 ARG A 29 95.910 12.233 10.667 1.00 0.00 H new ATOM 0 HG3 ARG A 29 94.921 12.871 9.368 1.00 0.00 H new ATOM 0 HD2 ARG A 29 93.687 13.624 11.218 1.00 0.00 H new ATOM 0 HD3 ARG A 29 92.889 12.090 10.933 1.00 0.00 H new ATOM 0 HE ARG A 29 95.199 11.756 12.735 1.00 0.00 H new ATOM 0 HH11 ARG A 29 94.686 11.356 14.903 1.00 0.00 H new ATOM 0 HH12 ARG A 29 93.058 11.691 15.500 1.00 0.00 H new ATOM 0 HH21 ARG A 29 91.892 12.835 12.410 1.00 0.00 H new ATOM 0 HH22 ARG A 29 91.489 12.521 14.101 1.00 0.00 H new ATOM 435 N ASP A 30 95.578 8.112 9.047 1.00 0.00 N ATOM 436 CA ASP A 30 95.354 6.677 8.748 1.00 0.00 C ATOM 437 C ASP A 30 94.568 6.061 9.885 1.00 0.00 C ATOM 438 O ASP A 30 95.043 5.944 10.997 1.00 0.00 O ATOM 439 CB ASP A 30 96.682 5.949 8.600 1.00 0.00 C ATOM 440 CG ASP A 30 97.466 6.544 7.430 1.00 0.00 C ATOM 441 OD1 ASP A 30 97.668 5.837 6.458 1.00 0.00 O ATOM 442 OD2 ASP A 30 97.851 7.698 7.525 1.00 0.00 O ATOM 0 H ASP A 30 95.850 8.310 10.010 1.00 0.00 H new ATOM 0 HA ASP A 30 94.802 6.587 7.812 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.260 6.036 9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 30 96.509 4.886 8.432 1.00 0.00 H new ATOM 447 N VAL A 31 93.360 5.667 9.605 1.00 0.00 N ATOM 448 CA VAL A 31 92.501 5.050 10.652 1.00 0.00 C ATOM 449 C VAL A 31 92.374 3.561 10.372 1.00 0.00 C ATOM 450 O VAL A 31 92.561 3.110 9.259 1.00 0.00 O ATOM 451 CB VAL A 31 91.122 5.701 10.623 1.00 0.00 C ATOM 452 CG1 VAL A 31 90.318 5.210 11.826 1.00 0.00 C ATOM 453 CG2 VAL A 31 91.277 7.230 10.690 1.00 0.00 C ATOM 0 H VAL A 31 92.926 5.747 8.686 1.00 0.00 H new ATOM 0 HA VAL A 31 92.946 5.200 11.636 1.00 0.00 H new ATOM 0 HB VAL A 31 90.603 5.435 9.702 1.00 0.00 H new ATOM 0 HG11 VAL A 31 89.330 5.670 11.815 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.215 4.126 11.777 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.835 5.484 12.746 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.292 7.697 10.669 1.00 0.00 H new ATOM 0 HG22 VAL A 31 91.789 7.504 11.612 1.00 0.00 H new ATOM 0 HG23 VAL A 31 91.860 7.574 9.836 1.00 0.00 H new ATOM 463 N THR A 32 92.060 2.793 11.380 1.00 0.00 N ATOM 464 CA THR A 32 91.917 1.317 11.200 1.00 0.00 C ATOM 465 C THR A 32 90.622 0.865 11.882 1.00 0.00 C ATOM 466 O THR A 32 90.274 1.337 12.946 1.00 0.00 O ATOM 467 CB THR A 32 93.139 0.608 11.838 1.00 0.00 C ATOM 468 OG1 THR A 32 93.965 1.584 12.456 1.00 0.00 O ATOM 469 CG2 THR A 32 93.959 -0.137 10.776 1.00 0.00 C ATOM 0 H THR A 32 91.895 3.127 12.330 1.00 0.00 H new ATOM 0 HA THR A 32 91.875 1.062 10.141 1.00 0.00 H new ATOM 0 HB THR A 32 92.780 -0.115 12.571 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.740 1.145 12.864 1.00 0.00 H new ATOM 0 HG21 THR A 32 94.810 -0.625 11.250 1.00 0.00 H new ATOM 0 HG22 THR A 32 93.333 -0.887 10.293 1.00 0.00 H new ATOM 0 HG23 THR A 32 94.317 0.572 10.029 1.00 0.00 H new ATOM 477 N LEU A 33 89.903 -0.035 11.262 1.00 0.00 N ATOM 478 CA LEU A 33 88.615 -0.525 11.836 1.00 0.00 C ATOM 479 C LEU A 33 88.698 -2.034 12.065 1.00 0.00 C ATOM 480 O LEU A 33 88.732 -2.806 11.135 1.00 0.00 O ATOM 481 CB LEU A 33 87.496 -0.222 10.818 1.00 0.00 C ATOM 482 CG LEU A 33 86.790 1.115 11.115 1.00 0.00 C ATOM 483 CD1 LEU A 33 85.809 0.942 12.271 1.00 0.00 C ATOM 484 CD2 LEU A 33 87.807 2.213 11.463 1.00 0.00 C ATOM 0 H LEU A 33 90.158 -0.457 10.369 1.00 0.00 H new ATOM 0 HA LEU A 33 88.411 -0.033 12.787 1.00 0.00 H new ATOM 0 HB2 LEU A 33 87.918 -0.193 9.813 1.00 0.00 H new ATOM 0 HB3 LEU A 33 86.764 -1.029 10.833 1.00 0.00 H new ATOM 0 HG LEU A 33 86.249 1.417 10.218 1.00 0.00 H new ATOM 0 HD11 LEU A 33 85.315 1.892 12.474 1.00 0.00 H new ATOM 0 HD12 LEU A 33 85.062 0.194 12.006 1.00 0.00 H new ATOM 0 HD13 LEU A 33 86.349 0.616 13.160 1.00 0.00 H new ATOM 0 HD21 LEU A 33 87.280 3.145 11.668 1.00 0.00 H new ATOM 0 HD22 LEU A 33 88.376 1.916 12.344 1.00 0.00 H new ATOM 0 HD23 LEU A 33 88.488 2.358 10.624 1.00 0.00 H new ATOM 496 N ARG A 34 88.690 -2.447 13.300 1.00 0.00 N ATOM 497 CA ARG A 34 88.743 -3.897 13.613 1.00 0.00 C ATOM 498 C ARG A 34 87.513 -4.567 13.016 1.00 0.00 C ATOM 499 O ARG A 34 86.407 -4.396 13.490 1.00 0.00 O ATOM 500 CB ARG A 34 88.742 -4.088 15.131 1.00 0.00 C ATOM 501 CG ARG A 34 89.019 -5.559 15.468 1.00 0.00 C ATOM 502 CD ARG A 34 90.486 -5.916 15.181 1.00 0.00 C ATOM 503 NE ARG A 34 90.887 -7.069 16.035 1.00 0.00 N ATOM 504 CZ ARG A 34 91.954 -7.759 15.739 1.00 0.00 C ATOM 505 NH1 ARG A 34 92.304 -8.772 16.483 1.00 0.00 N ATOM 506 NH2 ARG A 34 92.671 -7.435 14.698 1.00 0.00 N ATOM 0 H ARG A 34 88.648 -1.833 14.114 1.00 0.00 H new ATOM 0 HA ARG A 34 89.648 -4.339 13.196 1.00 0.00 H new ATOM 0 HB2 ARG A 34 89.500 -3.451 15.588 1.00 0.00 H new ATOM 0 HB3 ARG A 34 87.780 -3.785 15.545 1.00 0.00 H new ATOM 0 HG2 ARG A 34 88.793 -5.745 16.518 1.00 0.00 H new ATOM 0 HG3 ARG A 34 88.362 -6.201 14.882 1.00 0.00 H new ATOM 0 HD2 ARG A 34 90.612 -6.167 14.128 1.00 0.00 H new ATOM 0 HD3 ARG A 34 91.127 -5.058 15.383 1.00 0.00 H new ATOM 0 HE ARG A 34 90.328 -7.319 16.851 1.00 0.00 H new ATOM 0 HH11 ARG A 34 91.743 -9.025 17.297 1.00 0.00 H new ATOM 0 HH12 ARG A 34 93.138 -9.311 16.251 1.00 0.00 H new ATOM 0 HH21 ARG A 34 92.397 -6.643 14.117 1.00 0.00 H new ATOM 0 HH22 ARG A 34 93.505 -7.974 14.466 1.00 0.00 H new ATOM 520 N VAL A 35 87.698 -5.312 11.959 1.00 0.00 N ATOM 521 CA VAL A 35 86.547 -5.986 11.290 1.00 0.00 C ATOM 522 C VAL A 35 86.900 -7.429 10.956 1.00 0.00 C ATOM 523 O VAL A 35 87.908 -7.957 11.381 1.00 0.00 O ATOM 524 CB VAL A 35 86.225 -5.260 9.988 1.00 0.00 C ATOM 525 CG1 VAL A 35 85.642 -3.884 10.301 1.00 0.00 C ATOM 526 CG2 VAL A 35 87.498 -5.097 9.154 1.00 0.00 C ATOM 0 H VAL A 35 88.606 -5.484 11.527 1.00 0.00 H new ATOM 0 HA VAL A 35 85.691 -5.964 11.965 1.00 0.00 H new ATOM 0 HB VAL A 35 85.499 -5.844 9.423 1.00 0.00 H new ATOM 0 HG11 VAL A 35 85.412 -3.366 9.370 1.00 0.00 H new ATOM 0 HG12 VAL A 35 84.730 -4.000 10.886 1.00 0.00 H new ATOM 0 HG13 VAL A 35 86.367 -3.303 10.870 1.00 0.00 H new ATOM 0 HG21 VAL A 35 87.261 -4.578 8.225 1.00 0.00 H new ATOM 0 HG22 VAL A 35 88.230 -4.518 9.717 1.00 0.00 H new ATOM 0 HG23 VAL A 35 87.911 -6.079 8.925 1.00 0.00 H new ATOM 536 N THR A 36 86.068 -8.059 10.174 1.00 0.00 N ATOM 537 CA THR A 36 86.319 -9.465 9.766 1.00 0.00 C ATOM 538 C THR A 36 85.885 -9.602 8.311 1.00 0.00 C ATOM 539 O THR A 36 85.324 -8.692 7.736 1.00 0.00 O ATOM 540 CB THR A 36 85.500 -10.416 10.651 1.00 0.00 C ATOM 541 OG1 THR A 36 84.239 -9.828 10.933 1.00 0.00 O ATOM 542 CG2 THR A 36 86.237 -10.674 11.961 1.00 0.00 C ATOM 0 H THR A 36 85.213 -7.651 9.796 1.00 0.00 H new ATOM 0 HA THR A 36 87.373 -9.719 9.876 1.00 0.00 H new ATOM 0 HB THR A 36 85.360 -11.360 10.125 1.00 0.00 H new ATOM 0 HG1 THR A 36 83.714 -10.434 11.496 1.00 0.00 H new ATOM 0 HG21 THR A 36 85.649 -11.349 12.582 1.00 0.00 H new ATOM 0 HG22 THR A 36 87.206 -11.126 11.750 1.00 0.00 H new ATOM 0 HG23 THR A 36 86.383 -9.731 12.488 1.00 0.00 H new ATOM 550 N GLY A 37 86.137 -10.720 7.704 1.00 0.00 N ATOM 551 CA GLY A 37 85.733 -10.890 6.286 1.00 0.00 C ATOM 552 C GLY A 37 84.246 -11.205 6.224 1.00 0.00 C ATOM 553 O GLY A 37 83.809 -12.078 5.502 1.00 0.00 O ATOM 0 H GLY A 37 86.604 -11.523 8.125 1.00 0.00 H new ATOM 0 HA2 GLY A 37 85.948 -9.982 5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 37 86.307 -11.694 5.826 1.00 0.00 H new ATOM 557 N GLU A 38 83.463 -10.488 6.980 1.00 0.00 N ATOM 558 CA GLU A 38 81.995 -10.716 6.985 1.00 0.00 C ATOM 559 C GLU A 38 81.287 -9.372 7.162 1.00 0.00 C ATOM 560 O GLU A 38 80.078 -9.307 7.255 1.00 0.00 O ATOM 561 CB GLU A 38 81.629 -11.643 8.146 1.00 0.00 C ATOM 562 CG GLU A 38 81.769 -10.898 9.491 1.00 0.00 C ATOM 563 CD GLU A 38 80.435 -10.247 9.875 1.00 0.00 C ATOM 564 OE1 GLU A 38 80.380 -9.029 9.908 1.00 0.00 O ATOM 565 OE2 GLU A 38 79.493 -10.979 10.130 1.00 0.00 O ATOM 0 H GLU A 38 83.783 -9.745 7.601 1.00 0.00 H new ATOM 0 HA GLU A 38 81.687 -11.176 6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 38 80.607 -12.001 8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.277 -12.519 8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 38 82.080 -11.594 10.270 1.00 0.00 H new ATOM 0 HG3 GLU A 38 82.545 -10.137 9.415 1.00 0.00 H new ATOM 572 N VAL A 39 82.031 -8.292 7.215 1.00 0.00 N ATOM 573 CA VAL A 39 81.389 -6.962 7.392 1.00 0.00 C ATOM 574 C VAL A 39 81.038 -6.359 6.033 1.00 0.00 C ATOM 575 O VAL A 39 81.827 -6.366 5.115 1.00 0.00 O ATOM 576 CB VAL A 39 82.341 -6.034 8.152 1.00 0.00 C ATOM 577 CG1 VAL A 39 82.954 -6.809 9.319 1.00 0.00 C ATOM 578 CG2 VAL A 39 83.453 -5.513 7.224 1.00 0.00 C ATOM 0 H VAL A 39 83.048 -8.279 7.143 1.00 0.00 H new ATOM 0 HA VAL A 39 80.469 -7.081 7.964 1.00 0.00 H new ATOM 0 HB VAL A 39 81.784 -5.174 8.525 1.00 0.00 H new ATOM 0 HG11 VAL A 39 83.635 -6.160 9.869 1.00 0.00 H new ATOM 0 HG12 VAL A 39 82.162 -7.152 9.985 1.00 0.00 H new ATOM 0 HG13 VAL A 39 83.503 -7.669 8.936 1.00 0.00 H new ATOM 0 HG21 VAL A 39 84.117 -4.856 7.785 1.00 0.00 H new ATOM 0 HG22 VAL A 39 84.023 -6.355 6.831 1.00 0.00 H new ATOM 0 HG23 VAL A 39 83.008 -4.959 6.398 1.00 0.00 H new ATOM 588 N HIS A 40 79.868 -5.819 5.901 1.00 0.00 N ATOM 589 CA HIS A 40 79.487 -5.201 4.601 1.00 0.00 C ATOM 590 C HIS A 40 80.147 -3.819 4.496 1.00 0.00 C ATOM 591 O HIS A 40 80.350 -3.145 5.486 1.00 0.00 O ATOM 592 CB HIS A 40 77.958 -5.070 4.520 1.00 0.00 C ATOM 593 CG HIS A 40 77.317 -6.226 5.238 1.00 0.00 C ATOM 594 ND1 HIS A 40 77.226 -7.489 4.675 1.00 0.00 N ATOM 595 CD2 HIS A 40 76.731 -6.325 6.476 1.00 0.00 C ATOM 596 CE1 HIS A 40 76.607 -8.287 5.564 1.00 0.00 C ATOM 597 NE2 HIS A 40 76.283 -7.627 6.679 1.00 0.00 N ATOM 0 H HIS A 40 79.157 -5.776 6.631 1.00 0.00 H new ATOM 0 HA HIS A 40 79.826 -5.827 3.776 1.00 0.00 H new ATOM 0 HB2 HIS A 40 77.639 -4.128 4.967 1.00 0.00 H new ATOM 0 HB3 HIS A 40 77.638 -5.053 3.478 1.00 0.00 H new ATOM 0 HD2 HIS A 40 76.633 -5.516 7.184 1.00 0.00 H new ATOM 0 HE1 HIS A 40 76.398 -9.333 5.396 1.00 0.00 H new ATOM 0 HE2 HIS A 40 75.809 -7.998 7.503 1.00 0.00 H new ATOM 605 N ILE A 41 80.487 -3.394 3.308 1.00 0.00 N ATOM 606 CA ILE A 41 81.135 -2.054 3.148 1.00 0.00 C ATOM 607 C ILE A 41 80.353 -1.021 3.943 1.00 0.00 C ATOM 608 O ILE A 41 80.880 -0.349 4.807 1.00 0.00 O ATOM 609 CB ILE A 41 81.114 -1.641 1.678 1.00 0.00 C ATOM 610 CG1 ILE A 41 81.706 -2.766 0.826 1.00 0.00 C ATOM 611 CG2 ILE A 41 81.928 -0.357 1.487 1.00 0.00 C ATOM 612 CD1 ILE A 41 81.706 -2.374 -0.657 1.00 0.00 C ATOM 0 H ILE A 41 80.345 -3.914 2.442 1.00 0.00 H new ATOM 0 HA ILE A 41 82.164 -2.113 3.504 1.00 0.00 H new ATOM 0 HB ILE A 41 80.086 -1.456 1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 41 82.724 -2.980 1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 41 81.128 -3.679 0.967 1.00 0.00 H new ATOM 0 HG21 ILE A 41 81.909 -0.067 0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 41 81.496 0.441 2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 41 82.958 -0.530 1.797 1.00 0.00 H new ATOM 0 HD11 ILE A 41 82.130 -3.186 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 41 80.683 -2.184 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 41 82.304 -1.473 -0.795 1.00 0.00 H new ATOM 624 N GLY A 42 79.096 -0.889 3.646 1.00 0.00 N ATOM 625 CA GLY A 42 78.266 0.099 4.369 1.00 0.00 C ATOM 626 C GLY A 42 78.402 -0.152 5.860 1.00 0.00 C ATOM 627 O GLY A 42 78.033 0.662 6.686 1.00 0.00 O ATOM 0 H GLY A 42 78.607 -1.426 2.930 1.00 0.00 H new ATOM 0 HA2 GLY A 42 78.586 1.112 4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 42 77.223 0.012 4.064 1.00 0.00 H new ATOM 631 N GLY A 43 78.949 -1.277 6.202 1.00 0.00 N ATOM 632 CA GLY A 43 79.138 -1.611 7.635 1.00 0.00 C ATOM 633 C GLY A 43 80.411 -0.935 8.147 1.00 0.00 C ATOM 634 O GLY A 43 80.543 -0.641 9.316 1.00 0.00 O ATOM 0 H GLY A 43 79.276 -1.986 5.546 1.00 0.00 H new ATOM 0 HA2 GLY A 43 78.277 -1.278 8.215 1.00 0.00 H new ATOM 0 HA3 GLY A 43 79.209 -2.691 7.762 1.00 0.00 H new ATOM 638 N VAL A 44 81.349 -0.688 7.276 1.00 0.00 N ATOM 639 CA VAL A 44 82.622 -0.037 7.701 1.00 0.00 C ATOM 640 C VAL A 44 82.411 1.478 7.813 1.00 0.00 C ATOM 641 O VAL A 44 82.662 2.067 8.846 1.00 0.00 O ATOM 642 CB VAL A 44 83.714 -0.362 6.659 1.00 0.00 C ATOM 643 CG1 VAL A 44 84.836 0.687 6.696 1.00 0.00 C ATOM 644 CG2 VAL A 44 84.313 -1.740 6.956 1.00 0.00 C ATOM 0 H VAL A 44 81.289 -0.910 6.282 1.00 0.00 H new ATOM 0 HA VAL A 44 82.934 -0.412 8.676 1.00 0.00 H new ATOM 0 HB VAL A 44 83.255 -0.355 5.670 1.00 0.00 H new ATOM 0 HG11 VAL A 44 85.593 0.436 5.953 1.00 0.00 H new ATOM 0 HG12 VAL A 44 84.422 1.671 6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 44 85.290 0.699 7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 44 85.084 -1.968 6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 44 84.753 -1.738 7.953 1.00 0.00 H new ATOM 0 HG23 VAL A 44 83.529 -2.496 6.907 1.00 0.00 H new ATOM 654 N MET A 45 81.950 2.121 6.771 1.00 0.00 N ATOM 655 CA MET A 45 81.732 3.591 6.857 1.00 0.00 C ATOM 656 C MET A 45 80.930 3.903 8.125 1.00 0.00 C ATOM 657 O MET A 45 81.207 4.855 8.825 1.00 0.00 O ATOM 658 CB MET A 45 80.980 4.097 5.603 1.00 0.00 C ATOM 659 CG MET A 45 79.962 3.045 5.077 1.00 0.00 C ATOM 660 SD MET A 45 78.269 3.695 5.224 1.00 0.00 S ATOM 661 CE MET A 45 77.812 3.695 3.469 1.00 0.00 C ATOM 0 H MET A 45 81.718 1.695 5.874 1.00 0.00 H new ATOM 0 HA MET A 45 82.694 4.101 6.902 1.00 0.00 H new ATOM 0 HB2 MET A 45 80.456 5.022 5.842 1.00 0.00 H new ATOM 0 HB3 MET A 45 81.699 4.332 4.818 1.00 0.00 H new ATOM 0 HG2 MET A 45 80.179 2.804 4.036 1.00 0.00 H new ATOM 0 HG3 MET A 45 80.056 2.119 5.645 1.00 0.00 H new ATOM 0 HE1 MET A 45 77.111 4.507 3.276 1.00 0.00 H new ATOM 0 HE2 MET A 45 78.705 3.834 2.860 1.00 0.00 H new ATOM 0 HE3 MET A 45 77.344 2.744 3.215 1.00 0.00 H new ATOM 671 N LEU A 46 79.950 3.100 8.437 1.00 0.00 N ATOM 672 CA LEU A 46 79.151 3.354 9.674 1.00 0.00 C ATOM 673 C LEU A 46 80.095 3.448 10.878 1.00 0.00 C ATOM 674 O LEU A 46 80.136 4.446 11.566 1.00 0.00 O ATOM 675 CB LEU A 46 78.159 2.196 9.876 1.00 0.00 C ATOM 676 CG LEU A 46 77.147 2.524 11.014 1.00 0.00 C ATOM 677 CD1 LEU A 46 75.745 2.014 10.636 1.00 0.00 C ATOM 678 CD2 LEU A 46 77.588 1.855 12.327 1.00 0.00 C ATOM 0 H LEU A 46 79.668 2.284 7.894 1.00 0.00 H new ATOM 0 HA LEU A 46 78.601 4.290 9.577 1.00 0.00 H new ATOM 0 HB2 LEU A 46 77.620 2.007 8.948 1.00 0.00 H new ATOM 0 HB3 LEU A 46 78.703 1.284 10.120 1.00 0.00 H new ATOM 0 HG LEU A 46 77.119 3.605 11.150 1.00 0.00 H new ATOM 0 HD11 LEU A 46 75.044 2.248 11.438 1.00 0.00 H new ATOM 0 HD12 LEU A 46 75.418 2.498 9.716 1.00 0.00 H new ATOM 0 HD13 LEU A 46 75.778 0.935 10.487 1.00 0.00 H new ATOM 0 HD21 LEU A 46 76.872 2.092 13.114 1.00 0.00 H new ATOM 0 HD22 LEU A 46 77.631 0.775 12.188 1.00 0.00 H new ATOM 0 HD23 LEU A 46 78.574 2.224 12.610 1.00 0.00 H new ATOM 690 N LYS A 47 80.848 2.416 11.138 1.00 0.00 N ATOM 691 CA LYS A 47 81.784 2.437 12.304 1.00 0.00 C ATOM 692 C LYS A 47 82.793 3.586 12.176 1.00 0.00 C ATOM 693 O LYS A 47 82.913 4.423 13.048 1.00 0.00 O ATOM 694 CB LYS A 47 82.561 1.123 12.341 1.00 0.00 C ATOM 695 CG LYS A 47 81.597 -0.057 12.328 1.00 0.00 C ATOM 696 CD LYS A 47 82.396 -1.358 12.220 1.00 0.00 C ATOM 697 CE LYS A 47 81.438 -2.544 12.109 1.00 0.00 C ATOM 698 NZ LYS A 47 80.840 -2.825 13.445 1.00 0.00 N ATOM 0 H LYS A 47 80.858 1.554 10.593 1.00 0.00 H new ATOM 0 HA LYS A 47 81.198 2.573 13.213 1.00 0.00 H new ATOM 0 HB2 LYS A 47 83.232 1.064 11.484 1.00 0.00 H new ATOM 0 HB3 LYS A 47 83.183 1.084 13.235 1.00 0.00 H new ATOM 0 HG2 LYS A 47 80.995 -0.060 13.237 1.00 0.00 H new ATOM 0 HG3 LYS A 47 80.907 0.031 11.489 1.00 0.00 H new ATOM 0 HD2 LYS A 47 83.049 -1.323 11.348 1.00 0.00 H new ATOM 0 HD3 LYS A 47 83.037 -1.476 13.094 1.00 0.00 H new ATOM 0 HE2 LYS A 47 80.653 -2.325 11.386 1.00 0.00 H new ATOM 0 HE3 LYS A 47 81.970 -3.423 11.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 80.268 -3.692 13.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 81.599 -2.951 14.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 80.236 -2.028 13.729 1.00 0.00 H new ATOM 712 N LEU A 48 83.541 3.606 11.109 1.00 0.00 N ATOM 713 CA LEU A 48 84.574 4.669 10.925 1.00 0.00 C ATOM 714 C LEU A 48 83.992 6.041 11.288 1.00 0.00 C ATOM 715 O LEU A 48 84.642 6.842 11.931 1.00 0.00 O ATOM 716 CB LEU A 48 85.039 4.634 9.455 1.00 0.00 C ATOM 717 CG LEU A 48 86.053 5.748 9.133 1.00 0.00 C ATOM 718 CD1 LEU A 48 87.401 5.458 9.787 1.00 0.00 C ATOM 719 CD2 LEU A 48 86.260 5.792 7.620 1.00 0.00 C ATOM 0 H LEU A 48 83.482 2.928 10.350 1.00 0.00 H new ATOM 0 HA LEU A 48 85.426 4.492 11.582 1.00 0.00 H new ATOM 0 HB2 LEU A 48 85.489 3.664 9.242 1.00 0.00 H new ATOM 0 HB3 LEU A 48 84.173 4.734 8.800 1.00 0.00 H new ATOM 0 HG LEU A 48 85.667 6.695 9.511 1.00 0.00 H new ATOM 0 HD11 LEU A 48 88.102 6.258 9.546 1.00 0.00 H new ATOM 0 HD12 LEU A 48 87.276 5.399 10.868 1.00 0.00 H new ATOM 0 HD13 LEU A 48 87.790 4.510 9.414 1.00 0.00 H new ATOM 0 HD21 LEU A 48 86.976 6.576 7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 48 86.642 4.831 7.277 1.00 0.00 H new ATOM 0 HD23 LEU A 48 85.310 6.001 7.129 1.00 0.00 H new ATOM 731 N VAL A 49 82.781 6.323 10.899 1.00 0.00 N ATOM 732 CA VAL A 49 82.190 7.648 11.251 1.00 0.00 C ATOM 733 C VAL A 49 81.806 7.659 12.729 1.00 0.00 C ATOM 734 O VAL A 49 82.050 8.621 13.430 1.00 0.00 O ATOM 735 CB VAL A 49 80.939 7.917 10.407 1.00 0.00 C ATOM 736 CG1 VAL A 49 80.298 9.234 10.872 1.00 0.00 C ATOM 737 CG2 VAL A 49 81.313 8.003 8.902 1.00 0.00 C ATOM 0 H VAL A 49 82.178 5.703 10.358 1.00 0.00 H new ATOM 0 HA VAL A 49 82.929 8.424 11.051 1.00 0.00 H new ATOM 0 HB VAL A 49 80.229 7.100 10.535 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.407 9.435 10.277 1.00 0.00 H new ATOM 0 HG12 VAL A 49 80.022 9.153 11.923 1.00 0.00 H new ATOM 0 HG13 VAL A 49 81.010 10.050 10.745 1.00 0.00 H new ATOM 0 HG21 VAL A 49 80.415 8.194 8.314 1.00 0.00 H new ATOM 0 HG22 VAL A 49 82.026 8.814 8.750 1.00 0.00 H new ATOM 0 HG23 VAL A 49 81.761 7.062 8.584 1.00 0.00 H new ATOM 747 N GLU A 50 81.205 6.600 13.213 1.00 0.00 N ATOM 748 CA GLU A 50 80.809 6.559 14.652 1.00 0.00 C ATOM 749 C GLU A 50 81.978 7.059 15.503 1.00 0.00 C ATOM 750 O GLU A 50 81.800 7.772 16.470 1.00 0.00 O ATOM 751 CB GLU A 50 80.453 5.122 15.051 1.00 0.00 C ATOM 752 CG GLU A 50 79.050 4.771 14.541 1.00 0.00 C ATOM 753 CD GLU A 50 78.003 5.555 15.334 1.00 0.00 C ATOM 754 OE1 GLU A 50 77.247 6.287 14.716 1.00 0.00 O ATOM 755 OE2 GLU A 50 77.975 5.412 16.545 1.00 0.00 O ATOM 0 H GLU A 50 80.973 5.765 12.675 1.00 0.00 H new ATOM 0 HA GLU A 50 79.939 7.195 14.813 1.00 0.00 H new ATOM 0 HB2 GLU A 50 81.184 4.428 14.636 1.00 0.00 H new ATOM 0 HB3 GLU A 50 80.492 5.016 16.135 1.00 0.00 H new ATOM 0 HG2 GLU A 50 78.969 5.007 13.480 1.00 0.00 H new ATOM 0 HG3 GLU A 50 78.872 3.701 14.644 1.00 0.00 H new ATOM 762 N LYS A 51 83.175 6.699 15.134 1.00 0.00 N ATOM 763 CA LYS A 51 84.363 7.158 15.897 1.00 0.00 C ATOM 764 C LYS A 51 84.521 8.669 15.725 1.00 0.00 C ATOM 765 O LYS A 51 84.528 9.417 16.682 1.00 0.00 O ATOM 766 CB LYS A 51 85.596 6.448 15.351 1.00 0.00 C ATOM 767 CG LYS A 51 85.440 4.949 15.580 1.00 0.00 C ATOM 768 CD LYS A 51 86.500 4.190 14.799 1.00 0.00 C ATOM 769 CE LYS A 51 86.433 2.727 15.208 1.00 0.00 C ATOM 770 NZ LYS A 51 85.140 2.145 14.748 1.00 0.00 N ATOM 0 H LYS A 51 83.380 6.103 14.332 1.00 0.00 H new ATOM 0 HA LYS A 51 84.242 6.929 16.956 1.00 0.00 H new ATOM 0 HB2 LYS A 51 85.712 6.657 14.288 1.00 0.00 H new ATOM 0 HB3 LYS A 51 86.494 6.815 15.848 1.00 0.00 H new ATOM 0 HG2 LYS A 51 85.529 4.724 16.643 1.00 0.00 H new ATOM 0 HG3 LYS A 51 84.447 4.627 15.268 1.00 0.00 H new ATOM 0 HD2 LYS A 51 86.330 4.294 13.727 1.00 0.00 H new ATOM 0 HD3 LYS A 51 87.490 4.598 15.006 1.00 0.00 H new ATOM 0 HE2 LYS A 51 87.268 2.177 14.773 1.00 0.00 H new ATOM 0 HE3 LYS A 51 86.521 2.636 16.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 85.258 1.125 14.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 84.413 2.296 15.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 84.846 2.607 13.864 1.00 0.00 H new ATOM 784 N LEU A 52 84.637 9.124 14.508 1.00 0.00 N ATOM 785 CA LEU A 52 84.781 10.568 14.256 1.00 0.00 C ATOM 786 C LEU A 52 83.468 11.257 14.630 1.00 0.00 C ATOM 787 O LEU A 52 83.400 12.029 15.563 1.00 0.00 O ATOM 788 CB LEU A 52 85.064 10.743 12.758 1.00 0.00 C ATOM 789 CG LEU A 52 86.571 10.828 12.480 1.00 0.00 C ATOM 790 CD1 LEU A 52 87.176 12.098 13.116 1.00 0.00 C ATOM 791 CD2 LEU A 52 87.267 9.575 13.033 1.00 0.00 C ATOM 0 H LEU A 52 84.637 8.540 13.671 1.00 0.00 H new ATOM 0 HA LEU A 52 85.590 11.004 14.843 1.00 0.00 H new ATOM 0 HB2 LEU A 52 84.637 9.906 12.205 1.00 0.00 H new ATOM 0 HB3 LEU A 52 84.574 11.647 12.397 1.00 0.00 H new ATOM 0 HG LEU A 52 86.726 10.883 11.402 1.00 0.00 H new ATOM 0 HD11 LEU A 52 88.245 12.136 12.906 1.00 0.00 H new ATOM 0 HD12 LEU A 52 86.692 12.980 12.698 1.00 0.00 H new ATOM 0 HD13 LEU A 52 87.019 12.075 14.194 1.00 0.00 H new ATOM 0 HD21 LEU A 52 88.337 9.636 12.835 1.00 0.00 H new ATOM 0 HD22 LEU A 52 87.100 9.511 14.108 1.00 0.00 H new ATOM 0 HD23 LEU A 52 86.859 8.688 12.548 1.00 0.00 H new ATOM 803 N ASP A 53 82.431 10.960 13.893 1.00 0.00 N ATOM 804 CA ASP A 53 81.085 11.549 14.152 1.00 0.00 C ATOM 805 C ASP A 53 81.038 12.963 13.618 1.00 0.00 C ATOM 806 O ASP A 53 80.030 13.430 13.127 1.00 0.00 O ATOM 807 CB ASP A 53 80.831 11.537 15.652 1.00 0.00 C ATOM 808 CG ASP A 53 79.333 11.395 15.949 1.00 0.00 C ATOM 809 OD1 ASP A 53 78.616 12.362 15.749 1.00 0.00 O ATOM 810 OD2 ASP A 53 78.931 10.323 16.370 1.00 0.00 O ATOM 0 H ASP A 53 82.462 10.317 13.102 1.00 0.00 H new ATOM 0 HA ASP A 53 80.314 10.966 13.649 1.00 0.00 H new ATOM 0 HB2 ASP A 53 81.377 10.713 16.111 1.00 0.00 H new ATOM 0 HB3 ASP A 53 81.209 12.457 16.097 1.00 0.00 H new ATOM 815 N VAL A 54 82.150 13.603 13.707 1.00 0.00 N ATOM 816 CA VAL A 54 82.339 14.999 13.211 1.00 0.00 C ATOM 817 C VAL A 54 81.270 15.378 12.181 1.00 0.00 C ATOM 818 O VAL A 54 80.951 14.612 11.293 1.00 0.00 O ATOM 819 CB VAL A 54 83.712 15.024 12.561 1.00 0.00 C ATOM 820 CG1 VAL A 54 83.722 14.025 11.391 1.00 0.00 C ATOM 821 CG2 VAL A 54 84.040 16.441 12.068 1.00 0.00 C ATOM 0 H VAL A 54 82.990 13.202 14.125 1.00 0.00 H new ATOM 0 HA VAL A 54 82.254 15.714 14.029 1.00 0.00 H new ATOM 0 HB VAL A 54 84.472 14.738 13.288 1.00 0.00 H new ATOM 0 HG11 VAL A 54 84.702 14.032 10.915 1.00 0.00 H new ATOM 0 HG12 VAL A 54 83.508 13.024 11.765 1.00 0.00 H new ATOM 0 HG13 VAL A 54 82.963 14.310 10.663 1.00 0.00 H new ATOM 0 HG21 VAL A 54 85.026 16.446 11.604 1.00 0.00 H new ATOM 0 HG22 VAL A 54 83.294 16.754 11.337 1.00 0.00 H new ATOM 0 HG23 VAL A 54 84.033 17.131 12.912 1.00 0.00 H new ATOM 831 N LYS A 55 80.704 16.546 12.299 1.00 0.00 N ATOM 832 CA LYS A 55 79.651 16.950 11.333 1.00 0.00 C ATOM 833 C LYS A 55 80.259 17.200 9.954 1.00 0.00 C ATOM 834 O LYS A 55 79.831 18.076 9.229 1.00 0.00 O ATOM 835 CB LYS A 55 78.938 18.206 11.821 1.00 0.00 C ATOM 836 CG LYS A 55 77.793 18.564 10.835 1.00 0.00 C ATOM 837 CD LYS A 55 76.499 18.872 11.598 1.00 0.00 C ATOM 838 CE LYS A 55 75.539 19.667 10.710 1.00 0.00 C ATOM 839 NZ LYS A 55 74.344 20.066 11.506 1.00 0.00 N ATOM 0 H LYS A 55 80.925 17.234 13.019 1.00 0.00 H new ATOM 0 HA LYS A 55 78.926 16.139 11.256 1.00 0.00 H new ATOM 0 HB2 LYS A 55 78.535 18.044 12.821 1.00 0.00 H new ATOM 0 HB3 LYS A 55 79.644 19.034 11.892 1.00 0.00 H new ATOM 0 HG2 LYS A 55 78.081 19.426 10.233 1.00 0.00 H new ATOM 0 HG3 LYS A 55 77.627 17.736 10.146 1.00 0.00 H new ATOM 0 HD2 LYS A 55 76.026 17.943 11.917 1.00 0.00 H new ATOM 0 HD3 LYS A 55 76.726 19.440 12.500 1.00 0.00 H new ATOM 0 HE2 LYS A 55 76.039 20.552 10.316 1.00 0.00 H new ATOM 0 HE3 LYS A 55 75.235 19.065 9.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 73.690 20.606 10.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.864 19.215 11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 74.643 20.656 12.309 1.00 0.00 H new ATOM 853 N LYS A 56 81.241 16.427 9.575 1.00 0.00 N ATOM 854 CA LYS A 56 81.856 16.614 8.229 1.00 0.00 C ATOM 855 C LYS A 56 81.011 15.860 7.199 1.00 0.00 C ATOM 856 O LYS A 56 80.137 15.094 7.548 1.00 0.00 O ATOM 857 CB LYS A 56 83.290 16.055 8.237 1.00 0.00 C ATOM 858 CG LYS A 56 84.082 16.521 6.985 1.00 0.00 C ATOM 859 CD LYS A 56 85.562 16.764 7.340 1.00 0.00 C ATOM 860 CE LYS A 56 86.245 15.441 7.706 1.00 0.00 C ATOM 861 NZ LYS A 56 85.673 14.915 8.977 1.00 0.00 N ATOM 0 H LYS A 56 81.643 15.677 10.137 1.00 0.00 H new ATOM 0 HA LYS A 56 81.891 17.674 7.975 1.00 0.00 H new ATOM 0 HB2 LYS A 56 83.806 16.383 9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 56 83.258 14.966 8.266 1.00 0.00 H new ATOM 0 HG2 LYS A 56 84.009 15.768 6.201 1.00 0.00 H new ATOM 0 HG3 LYS A 56 83.642 17.436 6.589 1.00 0.00 H new ATOM 0 HD2 LYS A 56 86.075 17.225 6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 56 85.633 17.461 8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 56 86.105 14.715 6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 56 87.319 15.593 7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 86.407 14.396 9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 85.330 15.707 9.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 84.882 14.274 8.763 1.00 0.00 H new ATOM 875 N ASP A 57 81.254 16.071 5.937 1.00 0.00 N ATOM 876 CA ASP A 57 80.455 15.363 4.900 1.00 0.00 C ATOM 877 C ASP A 57 80.984 13.938 4.731 1.00 0.00 C ATOM 878 O ASP A 57 82.150 13.732 4.460 1.00 0.00 O ATOM 879 CB ASP A 57 80.577 16.115 3.576 1.00 0.00 C ATOM 880 CG ASP A 57 80.375 17.611 3.816 1.00 0.00 C ATOM 881 OD1 ASP A 57 81.138 18.175 4.583 1.00 0.00 O ATOM 882 OD2 ASP A 57 79.462 18.168 3.229 1.00 0.00 O ATOM 0 H ASP A 57 81.971 16.702 5.579 1.00 0.00 H new ATOM 0 HA ASP A 57 79.409 15.324 5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 57 81.557 15.936 3.134 1.00 0.00 H new ATOM 0 HB3 ASP A 57 79.835 15.747 2.867 1.00 0.00 H new ATOM 887 N TRP A 58 80.134 12.950 4.898 1.00 0.00 N ATOM 888 CA TRP A 58 80.571 11.528 4.756 1.00 0.00 C ATOM 889 C TRP A 58 79.789 10.851 3.622 1.00 0.00 C ATOM 890 O TRP A 58 80.353 10.186 2.777 1.00 0.00 O ATOM 891 CB TRP A 58 80.264 10.783 6.051 1.00 0.00 C ATOM 892 CG TRP A 58 81.185 11.210 7.152 1.00 0.00 C ATOM 893 CD1 TRP A 58 80.931 12.195 8.046 1.00 0.00 C ATOM 894 CD2 TRP A 58 82.486 10.661 7.509 1.00 0.00 C ATOM 895 NE1 TRP A 58 81.994 12.284 8.929 1.00 0.00 N ATOM 896 CE2 TRP A 58 82.978 11.361 8.637 1.00 0.00 C ATOM 897 CE3 TRP A 58 83.278 9.633 6.970 1.00 0.00 C ATOM 898 CZ2 TRP A 58 84.212 11.051 9.208 1.00 0.00 C ATOM 899 CZ3 TRP A 58 84.521 9.317 7.543 1.00 0.00 C ATOM 900 CH2 TRP A 58 84.986 10.026 8.660 1.00 0.00 C ATOM 0 H TRP A 58 79.148 13.073 5.129 1.00 0.00 H new ATOM 0 HA TRP A 58 81.639 11.505 4.538 1.00 0.00 H new ATOM 0 HB2 TRP A 58 79.231 10.969 6.345 1.00 0.00 H new ATOM 0 HB3 TRP A 58 80.361 9.710 5.888 1.00 0.00 H new ATOM 0 HD1 TRP A 58 80.044 12.811 8.067 1.00 0.00 H new ATOM 0 HE1 TRP A 58 82.044 12.950 9.700 1.00 0.00 H new ATOM 0 HE3 TRP A 58 82.929 9.082 6.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 84.567 11.600 10.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 85.121 8.524 7.121 1.00 0.00 H new ATOM 0 HH2 TRP A 58 85.943 9.779 9.096 1.00 0.00 H new ATOM 911 N SER A 59 78.488 10.994 3.614 1.00 0.00 N ATOM 912 CA SER A 59 77.662 10.339 2.557 1.00 0.00 C ATOM 913 C SER A 59 78.302 10.556 1.188 1.00 0.00 C ATOM 914 O SER A 59 78.599 9.616 0.477 1.00 0.00 O ATOM 915 CB SER A 59 76.255 10.935 2.570 1.00 0.00 C ATOM 916 OG SER A 59 76.343 12.346 2.719 1.00 0.00 O ATOM 0 H SER A 59 77.961 11.538 4.297 1.00 0.00 H new ATOM 0 HA SER A 59 77.605 9.269 2.756 1.00 0.00 H new ATOM 0 HB2 SER A 59 75.734 10.687 1.645 1.00 0.00 H new ATOM 0 HB3 SER A 59 75.674 10.507 3.387 1.00 0.00 H new ATOM 0 HG SER A 59 75.462 12.747 2.567 1.00 0.00 H new ATOM 922 N ASP A 60 78.532 11.781 0.813 1.00 0.00 N ATOM 923 CA ASP A 60 79.167 12.032 -0.506 1.00 0.00 C ATOM 924 C ASP A 60 80.479 11.248 -0.557 1.00 0.00 C ATOM 925 O ASP A 60 80.907 10.792 -1.598 1.00 0.00 O ATOM 926 CB ASP A 60 79.436 13.535 -0.662 1.00 0.00 C ATOM 927 CG ASP A 60 80.377 13.781 -1.845 1.00 0.00 C ATOM 928 OD1 ASP A 60 79.880 14.009 -2.936 1.00 0.00 O ATOM 929 OD2 ASP A 60 81.579 13.736 -1.640 1.00 0.00 O ATOM 0 H ASP A 60 78.309 12.613 1.359 1.00 0.00 H new ATOM 0 HA ASP A 60 78.514 11.711 -1.318 1.00 0.00 H new ATOM 0 HB2 ASP A 60 78.497 14.066 -0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 60 79.878 13.930 0.253 1.00 0.00 H new ATOM 934 N HIS A 61 81.118 11.093 0.570 1.00 0.00 N ATOM 935 CA HIS A 61 82.398 10.347 0.614 1.00 0.00 C ATOM 936 C HIS A 61 82.142 8.845 0.709 1.00 0.00 C ATOM 937 O HIS A 61 81.040 8.394 0.952 1.00 0.00 O ATOM 938 CB HIS A 61 83.191 10.780 1.844 1.00 0.00 C ATOM 939 CG HIS A 61 83.321 12.277 1.874 1.00 0.00 C ATOM 940 ND1 HIS A 61 84.556 12.907 1.872 1.00 0.00 N ATOM 941 CD2 HIS A 61 82.388 13.282 1.901 1.00 0.00 C ATOM 942 CE1 HIS A 61 84.335 14.234 1.896 1.00 0.00 C ATOM 943 NE2 HIS A 61 83.030 14.517 1.914 1.00 0.00 N ATOM 0 H HIS A 61 80.801 11.457 1.469 1.00 0.00 H new ATOM 0 HA HIS A 61 82.955 10.561 -0.298 1.00 0.00 H new ATOM 0 HB2 HIS A 61 82.692 10.432 2.749 1.00 0.00 H new ATOM 0 HB3 HIS A 61 84.180 10.322 1.829 1.00 0.00 H new ATOM 0 HD1 HIS A 61 85.467 12.448 1.855 1.00 0.00 H new ATOM 0 HD2 HIS A 61 81.318 13.137 1.911 1.00 0.00 H new ATOM 0 HE1 HIS A 61 85.117 14.979 1.900 1.00 0.00 H new ATOM 951 N ALA A 62 83.177 8.079 0.526 1.00 0.00 N ATOM 952 CA ALA A 62 83.063 6.599 0.606 1.00 0.00 C ATOM 953 C ALA A 62 84.478 6.025 0.632 1.00 0.00 C ATOM 954 O ALA A 62 85.445 6.759 0.560 1.00 0.00 O ATOM 955 CB ALA A 62 82.312 6.071 -0.617 1.00 0.00 C ATOM 0 H ALA A 62 84.115 8.423 0.320 1.00 0.00 H new ATOM 0 HA ALA A 62 82.515 6.305 1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 62 82.231 4.986 -0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 62 81.314 6.508 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 62 82.855 6.342 -1.522 1.00 0.00 H new ATOM 961 N LEU A 63 84.625 4.729 0.730 1.00 0.00 N ATOM 962 CA LEU A 63 85.999 4.141 0.754 1.00 0.00 C ATOM 963 C LEU A 63 86.389 3.737 -0.669 1.00 0.00 C ATOM 964 O LEU A 63 85.551 3.393 -1.478 1.00 0.00 O ATOM 965 CB LEU A 63 86.041 2.906 1.665 1.00 0.00 C ATOM 966 CG LEU A 63 85.653 3.265 3.108 1.00 0.00 C ATOM 967 CD1 LEU A 63 86.605 4.333 3.668 1.00 0.00 C ATOM 968 CD2 LEU A 63 84.197 3.767 3.173 1.00 0.00 C ATOM 0 H LEU A 63 83.861 4.057 0.794 1.00 0.00 H new ATOM 0 HA LEU A 63 86.698 4.882 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 63 85.361 2.145 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 63 87.042 2.475 1.652 1.00 0.00 H new ATOM 0 HG LEU A 63 85.736 2.365 3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 63 86.317 4.577 4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 63 87.626 3.951 3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 63 86.548 5.230 3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 63 83.943 4.015 4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 63 84.090 4.654 2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 63 83.527 2.987 2.812 1.00 0.00 H new ATOM 980 N TRP A 64 87.659 3.806 -0.986 1.00 0.00 N ATOM 981 CA TRP A 64 88.133 3.455 -2.368 1.00 0.00 C ATOM 982 C TRP A 64 89.262 2.417 -2.255 1.00 0.00 C ATOM 983 O TRP A 64 89.966 2.364 -1.267 1.00 0.00 O ATOM 984 CB TRP A 64 88.578 4.783 -3.060 1.00 0.00 C ATOM 985 CG TRP A 64 90.030 4.810 -3.472 1.00 0.00 C ATOM 986 CD1 TRP A 64 91.094 4.561 -2.670 1.00 0.00 C ATOM 987 CD2 TRP A 64 90.583 5.165 -4.775 1.00 0.00 C ATOM 988 NE1 TRP A 64 92.254 4.696 -3.410 1.00 0.00 N ATOM 989 CE2 TRP A 64 91.993 5.077 -4.709 1.00 0.00 C ATOM 990 CE3 TRP A 64 90.000 5.538 -6.000 1.00 0.00 C ATOM 991 CZ2 TRP A 64 92.797 5.353 -5.816 1.00 0.00 C ATOM 992 CZ3 TRP A 64 90.806 5.821 -7.115 1.00 0.00 C ATOM 993 CH2 TRP A 64 92.202 5.729 -7.023 1.00 0.00 C ATOM 0 H TRP A 64 88.397 4.093 -0.343 1.00 0.00 H new ATOM 0 HA TRP A 64 87.352 3.001 -2.979 1.00 0.00 H new ATOM 0 HB2 TRP A 64 87.959 4.945 -3.942 1.00 0.00 H new ATOM 0 HB3 TRP A 64 88.389 5.614 -2.381 1.00 0.00 H new ATOM 0 HD1 TRP A 64 91.044 4.300 -1.623 1.00 0.00 H new ATOM 0 HE1 TRP A 64 93.190 4.533 -3.039 1.00 0.00 H new ATOM 0 HE3 TRP A 64 88.925 5.607 -6.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 93.872 5.276 -5.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 90.348 6.111 -8.049 1.00 0.00 H new ATOM 0 HH2 TRP A 64 92.816 5.948 -7.884 1.00 0.00 H new ATOM 1004 N TRP A 65 89.422 1.574 -3.250 1.00 0.00 N ATOM 1005 CA TRP A 65 90.502 0.530 -3.202 1.00 0.00 C ATOM 1006 C TRP A 65 91.558 0.871 -4.254 1.00 0.00 C ATOM 1007 O TRP A 65 91.424 0.515 -5.399 1.00 0.00 O ATOM 1008 CB TRP A 65 89.908 -0.851 -3.512 1.00 0.00 C ATOM 1009 CG TRP A 65 90.877 -1.940 -3.128 1.00 0.00 C ATOM 1010 CD1 TRP A 65 92.166 -1.758 -2.733 1.00 0.00 C ATOM 1011 CD2 TRP A 65 90.653 -3.382 -3.107 1.00 0.00 C ATOM 1012 NE1 TRP A 65 92.732 -2.990 -2.468 1.00 0.00 N ATOM 1013 CE2 TRP A 65 91.844 -4.021 -2.686 1.00 0.00 C ATOM 1014 CE3 TRP A 65 89.542 -4.190 -3.410 1.00 0.00 C ATOM 1015 CZ2 TRP A 65 91.929 -5.409 -2.569 1.00 0.00 C ATOM 1016 CZ3 TRP A 65 89.627 -5.587 -3.295 1.00 0.00 C ATOM 1017 CH2 TRP A 65 90.818 -6.195 -2.876 1.00 0.00 C ATOM 0 H TRP A 65 88.851 1.563 -4.095 1.00 0.00 H new ATOM 0 HA TRP A 65 90.949 0.511 -2.208 1.00 0.00 H new ATOM 0 HB2 TRP A 65 88.972 -0.981 -2.969 1.00 0.00 H new ATOM 0 HB3 TRP A 65 89.673 -0.923 -4.574 1.00 0.00 H new ATOM 0 HD1 TRP A 65 92.666 -0.805 -2.641 1.00 0.00 H new ATOM 0 HE1 TRP A 65 93.692 -3.121 -2.149 1.00 0.00 H new ATOM 0 HE3 TRP A 65 88.618 -3.733 -3.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 92.849 -5.872 -2.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 88.768 -6.197 -3.531 1.00 0.00 H new ATOM 0 HH2 TRP A 65 90.876 -7.270 -2.791 1.00 0.00 H new ATOM 1028 N GLU A 66 92.596 1.570 -3.877 1.00 0.00 N ATOM 1029 CA GLU A 66 93.648 1.950 -4.872 1.00 0.00 C ATOM 1030 C GLU A 66 94.196 0.719 -5.586 1.00 0.00 C ATOM 1031 O GLU A 66 94.692 0.814 -6.686 1.00 0.00 O ATOM 1032 CB GLU A 66 94.792 2.667 -4.172 1.00 0.00 C ATOM 1033 CG GLU A 66 95.236 1.849 -2.962 1.00 0.00 C ATOM 1034 CD GLU A 66 96.343 2.592 -2.214 1.00 0.00 C ATOM 1035 OE1 GLU A 66 97.113 1.937 -1.531 1.00 0.00 O ATOM 1036 OE2 GLU A 66 96.404 3.804 -2.338 1.00 0.00 O ATOM 0 H GLU A 66 92.763 1.895 -2.925 1.00 0.00 H new ATOM 0 HA GLU A 66 93.190 2.611 -5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 66 95.627 2.802 -4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 66 94.475 3.661 -3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 66 94.389 1.675 -2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 66 95.595 0.871 -3.284 1.00 0.00 H new ATOM 1043 N LYS A 67 94.112 -0.438 -5.000 1.00 0.00 N ATOM 1044 CA LYS A 67 94.628 -1.629 -5.724 1.00 0.00 C ATOM 1045 C LYS A 67 93.690 -1.850 -6.901 1.00 0.00 C ATOM 1046 O LYS A 67 93.918 -2.667 -7.770 1.00 0.00 O ATOM 1047 CB LYS A 67 94.608 -2.867 -4.826 1.00 0.00 C ATOM 1048 CG LYS A 67 95.285 -2.566 -3.488 1.00 0.00 C ATOM 1049 CD LYS A 67 96.736 -2.130 -3.717 1.00 0.00 C ATOM 1050 CE LYS A 67 97.535 -2.279 -2.412 1.00 0.00 C ATOM 1051 NZ LYS A 67 98.107 -3.653 -2.339 1.00 0.00 N ATOM 0 H LYS A 67 93.719 -0.611 -4.075 1.00 0.00 H new ATOM 0 HA LYS A 67 95.658 -1.467 -6.041 1.00 0.00 H new ATOM 0 HB2 LYS A 67 93.579 -3.185 -4.657 1.00 0.00 H new ATOM 0 HB3 LYS A 67 95.119 -3.692 -5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 67 94.740 -1.781 -2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 67 95.259 -3.451 -2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 67 97.188 -2.736 -4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 67 96.765 -1.095 -4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 67 98.333 -1.538 -2.374 1.00 0.00 H new ATOM 0 HE3 LYS A 67 96.889 -2.096 -1.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 98.648 -3.757 -1.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 97.336 -4.351 -2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 98.736 -3.811 -3.152 1.00 0.00 H new ATOM 1065 N LYS A 68 92.612 -1.113 -6.899 1.00 0.00 N ATOM 1066 CA LYS A 68 91.584 -1.224 -7.966 1.00 0.00 C ATOM 1067 C LYS A 68 91.199 0.184 -8.428 1.00 0.00 C ATOM 1068 O LYS A 68 90.526 0.356 -9.424 1.00 0.00 O ATOM 1069 CB LYS A 68 90.331 -1.928 -7.400 1.00 0.00 C ATOM 1070 CG LYS A 68 90.719 -3.007 -6.374 1.00 0.00 C ATOM 1071 CD LYS A 68 91.256 -4.242 -7.102 1.00 0.00 C ATOM 1072 CE LYS A 68 92.001 -5.154 -6.114 1.00 0.00 C ATOM 1073 NZ LYS A 68 91.873 -6.571 -6.557 1.00 0.00 N ATOM 0 H LYS A 68 92.399 -0.421 -6.181 1.00 0.00 H new ATOM 0 HA LYS A 68 91.980 -1.800 -8.803 1.00 0.00 H new ATOM 0 HB2 LYS A 68 89.678 -1.193 -6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 68 89.766 -2.382 -8.214 1.00 0.00 H new ATOM 0 HG2 LYS A 68 91.475 -2.618 -5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 68 89.852 -3.277 -5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 68 90.433 -4.788 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 68 91.927 -3.937 -7.905 1.00 0.00 H new ATOM 0 HE2 LYS A 68 93.052 -4.871 -6.062 1.00 0.00 H new ATOM 0 HE3 LYS A 68 91.589 -5.036 -5.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 92.376 -7.190 -5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 90.868 -6.837 -6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 92.285 -6.677 -7.506 1.00 0.00 H new ATOM 1087 N ARG A 69 91.591 1.192 -7.688 1.00 0.00 N ATOM 1088 CA ARG A 69 91.214 2.579 -8.063 1.00 0.00 C ATOM 1089 C ARG A 69 89.702 2.599 -8.246 1.00 0.00 C ATOM 1090 O ARG A 69 89.186 3.113 -9.218 1.00 0.00 O ATOM 1091 CB ARG A 69 91.902 2.991 -9.376 1.00 0.00 C ATOM 1092 CG ARG A 69 93.395 3.302 -9.142 1.00 0.00 C ATOM 1093 CD ARG A 69 94.220 2.015 -9.206 1.00 0.00 C ATOM 1094 NE ARG A 69 94.437 1.632 -10.630 1.00 0.00 N ATOM 1095 CZ ARG A 69 95.080 0.534 -10.919 1.00 0.00 C ATOM 1096 NH1 ARG A 69 95.278 0.201 -12.165 1.00 0.00 N ATOM 1097 NH2 ARG A 69 95.525 -0.233 -9.961 1.00 0.00 N ATOM 0 H ARG A 69 92.155 1.109 -6.842 1.00 0.00 H new ATOM 0 HA ARG A 69 91.527 3.280 -7.289 1.00 0.00 H new ATOM 0 HB2 ARG A 69 91.804 2.190 -10.109 1.00 0.00 H new ATOM 0 HB3 ARG A 69 91.405 3.867 -9.792 1.00 0.00 H new ATOM 0 HG2 ARG A 69 93.749 4.007 -9.894 1.00 0.00 H new ATOM 0 HG3 ARG A 69 93.527 3.779 -8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 69 95.178 2.160 -8.708 1.00 0.00 H new ATOM 0 HD3 ARG A 69 93.704 1.213 -8.678 1.00 0.00 H new ATOM 0 HE ARG A 69 94.083 2.228 -11.378 1.00 0.00 H new ATOM 0 HH11 ARG A 69 94.930 0.799 -12.914 1.00 0.00 H new ATOM 0 HH12 ARG A 69 95.781 -0.658 -12.390 1.00 0.00 H new ATOM 0 HH21 ARG A 69 95.370 0.026 -8.987 1.00 0.00 H new ATOM 0 HH22 ARG A 69 96.028 -1.091 -10.187 1.00 0.00 H new ATOM 1111 N THR A 70 88.993 2.005 -7.317 1.00 0.00 N ATOM 1112 CA THR A 70 87.508 1.935 -7.416 1.00 0.00 C ATOM 1113 C THR A 70 86.881 2.792 -6.331 1.00 0.00 C ATOM 1114 O THR A 70 87.560 3.459 -5.587 1.00 0.00 O ATOM 1115 CB THR A 70 87.085 0.473 -7.213 1.00 0.00 C ATOM 1116 OG1 THR A 70 85.754 0.295 -7.673 1.00 0.00 O ATOM 1117 CG2 THR A 70 87.174 0.081 -5.729 1.00 0.00 C ATOM 0 H THR A 70 89.387 1.562 -6.487 1.00 0.00 H new ATOM 0 HA THR A 70 87.179 2.298 -8.390 1.00 0.00 H new ATOM 0 HB THR A 70 87.760 -0.166 -7.782 1.00 0.00 H new ATOM 0 HG1 THR A 70 85.486 -0.639 -7.545 1.00 0.00 H new ATOM 0 HG21 THR A 70 86.870 -0.959 -5.608 1.00 0.00 H new ATOM 0 HG22 THR A 70 88.200 0.201 -5.382 1.00 0.00 H new ATOM 0 HG23 THR A 70 86.515 0.722 -5.143 1.00 0.00 H new ATOM 1125 N TRP A 71 85.586 2.726 -6.214 1.00 0.00 N ATOM 1126 CA TRP A 71 84.866 3.479 -5.152 1.00 0.00 C ATOM 1127 C TRP A 71 83.997 2.460 -4.421 1.00 0.00 C ATOM 1128 O TRP A 71 82.958 2.049 -4.878 1.00 0.00 O ATOM 1129 CB TRP A 71 84.026 4.609 -5.769 1.00 0.00 C ATOM 1130 CG TRP A 71 83.556 4.253 -7.148 1.00 0.00 C ATOM 1131 CD1 TRP A 71 83.163 3.025 -7.565 1.00 0.00 C ATOM 1132 CD2 TRP A 71 83.418 5.132 -8.303 1.00 0.00 C ATOM 1133 NE1 TRP A 71 82.771 3.102 -8.877 1.00 0.00 N ATOM 1134 CE2 TRP A 71 82.918 4.375 -9.387 1.00 0.00 C ATOM 1135 CE3 TRP A 71 83.672 6.500 -8.511 1.00 0.00 C ATOM 1136 CZ2 TRP A 71 82.678 4.953 -10.634 1.00 0.00 C ATOM 1137 CZ3 TRP A 71 83.434 7.086 -9.765 1.00 0.00 C ATOM 1138 CH2 TRP A 71 82.937 6.313 -10.825 1.00 0.00 C ATOM 0 H TRP A 71 84.984 2.171 -6.822 1.00 0.00 H new ATOM 0 HA TRP A 71 85.556 3.958 -4.458 1.00 0.00 H new ATOM 0 HB2 TRP A 71 83.166 4.814 -5.132 1.00 0.00 H new ATOM 0 HB3 TRP A 71 84.618 5.523 -5.810 1.00 0.00 H new ATOM 0 HD1 TRP A 71 83.159 2.130 -6.961 1.00 0.00 H new ATOM 0 HE1 TRP A 71 82.413 2.311 -9.412 1.00 0.00 H new ATOM 0 HE3 TRP A 71 84.053 7.104 -7.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 82.295 4.353 -11.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 83.635 8.137 -9.914 1.00 0.00 H new ATOM 0 HH2 TRP A 71 82.755 6.768 -11.787 1.00 0.00 H new ATOM 1149 N LEU A 72 84.451 2.002 -3.305 1.00 0.00 N ATOM 1150 CA LEU A 72 83.699 0.950 -2.585 1.00 0.00 C ATOM 1151 C LEU A 72 82.299 1.436 -2.227 1.00 0.00 C ATOM 1152 O LEU A 72 82.017 1.861 -1.124 1.00 0.00 O ATOM 1153 CB LEU A 72 84.489 0.568 -1.341 1.00 0.00 C ATOM 1154 CG LEU A 72 85.888 0.099 -1.767 1.00 0.00 C ATOM 1155 CD1 LEU A 72 86.803 0.055 -0.548 1.00 0.00 C ATOM 1156 CD2 LEU A 72 85.825 -1.291 -2.426 1.00 0.00 C ATOM 0 H LEU A 72 85.313 2.309 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 72 83.577 0.074 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 72 84.566 1.421 -0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 72 83.975 -0.224 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 72 86.284 0.804 -2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 72 87.796 -0.278 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 72 86.872 1.050 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 72 86.396 -0.639 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 72 86.828 -1.601 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 72 85.415 -2.011 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 72 85.187 -1.247 -3.309 1.00 0.00 H new ATOM 1168 N LEU A 73 81.418 1.334 -3.189 1.00 0.00 N ATOM 1169 CA LEU A 73 79.990 1.734 -3.004 1.00 0.00 C ATOM 1170 C LEU A 73 79.128 0.479 -3.140 1.00 0.00 C ATOM 1171 O LEU A 73 77.914 0.535 -3.112 1.00 0.00 O ATOM 1172 CB LEU A 73 79.578 2.774 -4.072 1.00 0.00 C ATOM 1173 CG LEU A 73 79.937 2.292 -5.510 1.00 0.00 C ATOM 1174 CD1 LEU A 73 78.723 1.636 -6.188 1.00 0.00 C ATOM 1175 CD2 LEU A 73 80.367 3.489 -6.369 1.00 0.00 C ATOM 0 H LEU A 73 81.636 0.980 -4.121 1.00 0.00 H new ATOM 0 HA LEU A 73 79.854 2.187 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 73 78.506 2.959 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 73 80.077 3.722 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 73 80.746 1.567 -5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 73 78.999 1.308 -7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.399 0.776 -5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 73 77.909 2.358 -6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.617 3.145 -7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.551 4.209 -6.424 1.00 0.00 H new ATOM 0 HD23 LEU A 73 81.240 3.964 -5.921 1.00 0.00 H new ATOM 1187 N LYS A 74 79.757 -0.658 -3.285 1.00 0.00 N ATOM 1188 CA LYS A 74 78.997 -1.931 -3.420 1.00 0.00 C ATOM 1189 C LYS A 74 78.568 -2.399 -2.025 1.00 0.00 C ATOM 1190 O LYS A 74 79.097 -3.357 -1.499 1.00 0.00 O ATOM 1191 CB LYS A 74 79.898 -3.003 -4.070 1.00 0.00 C ATOM 1192 CG LYS A 74 79.783 -2.950 -5.601 1.00 0.00 C ATOM 1193 CD LYS A 74 80.226 -1.580 -6.127 1.00 0.00 C ATOM 1194 CE LYS A 74 81.689 -1.306 -5.751 1.00 0.00 C ATOM 1195 NZ LYS A 74 82.474 -2.571 -5.801 1.00 0.00 N ATOM 0 H LYS A 74 80.772 -0.758 -3.316 1.00 0.00 H new ATOM 0 HA LYS A 74 78.118 -1.775 -4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 74 80.934 -2.844 -3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 74 79.612 -3.992 -3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 74 80.398 -3.733 -6.045 1.00 0.00 H new ATOM 0 HG3 LYS A 74 78.753 -3.145 -5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 74 80.110 -1.545 -7.210 1.00 0.00 H new ATOM 0 HD3 LYS A 74 79.586 -0.801 -5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 74 82.118 -0.575 -6.436 1.00 0.00 H new ATOM 0 HE3 LYS A 74 81.741 -0.875 -4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 83.481 -2.349 -5.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 82.349 -3.092 -4.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 82.140 -3.156 -6.594 1.00 0.00 H new ATOM 1209 N THR A 75 77.619 -1.733 -1.421 1.00 0.00 N ATOM 1210 CA THR A 75 77.168 -2.145 -0.057 1.00 0.00 C ATOM 1211 C THR A 75 76.998 -3.664 -0.006 1.00 0.00 C ATOM 1212 O THR A 75 77.548 -4.330 0.848 1.00 0.00 O ATOM 1213 CB THR A 75 75.832 -1.477 0.268 1.00 0.00 C ATOM 1214 OG1 THR A 75 75.959 -0.071 0.112 1.00 0.00 O ATOM 1215 CG2 THR A 75 75.440 -1.796 1.712 1.00 0.00 C ATOM 0 H THR A 75 77.137 -0.923 -1.811 1.00 0.00 H new ATOM 0 HA THR A 75 77.917 -1.838 0.673 1.00 0.00 H new ATOM 0 HB THR A 75 75.063 -1.852 -0.408 1.00 0.00 H new ATOM 0 HG1 THR A 75 75.831 0.167 -0.830 1.00 0.00 H new ATOM 0 HG21 THR A 75 74.487 -1.320 1.944 1.00 0.00 H new ATOM 0 HG22 THR A 75 75.345 -2.875 1.833 1.00 0.00 H new ATOM 0 HG23 THR A 75 76.208 -1.421 2.389 1.00 0.00 H new ATOM 1223 N HIS A 76 76.245 -4.215 -0.915 1.00 0.00 N ATOM 1224 CA HIS A 76 76.050 -5.688 -0.916 1.00 0.00 C ATOM 1225 C HIS A 76 77.415 -6.374 -0.878 1.00 0.00 C ATOM 1226 O HIS A 76 78.443 -5.728 -0.831 1.00 0.00 O ATOM 1227 CB HIS A 76 75.302 -6.103 -2.186 1.00 0.00 C ATOM 1228 CG HIS A 76 74.162 -5.154 -2.428 1.00 0.00 C ATOM 1229 ND1 HIS A 76 73.023 -5.152 -1.640 1.00 0.00 N ATOM 1230 CD2 HIS A 76 73.973 -4.169 -3.365 1.00 0.00 C ATOM 1231 CE1 HIS A 76 72.205 -4.194 -2.113 1.00 0.00 C ATOM 1232 NE2 HIS A 76 72.736 -3.564 -3.164 1.00 0.00 N ATOM 0 H HIS A 76 75.758 -3.710 -1.655 1.00 0.00 H new ATOM 0 HA HIS A 76 75.468 -5.983 -0.043 1.00 0.00 H new ATOM 0 HB2 HIS A 76 75.981 -6.098 -3.039 1.00 0.00 H new ATOM 0 HB3 HIS A 76 74.926 -7.121 -2.084 1.00 0.00 H new ATOM 0 HD1 HIS A 76 72.838 -5.765 -0.846 1.00 0.00 H new ATOM 0 HD2 HIS A 76 74.677 -3.904 -4.140 1.00 0.00 H new ATOM 0 HE1 HIS A 76 71.237 -3.963 -1.694 1.00 0.00 H new ATOM 1240 N TRP A 77 77.429 -7.677 -0.888 1.00 0.00 N ATOM 1241 CA TRP A 77 78.713 -8.418 -0.847 1.00 0.00 C ATOM 1242 C TRP A 77 79.503 -7.979 0.377 1.00 0.00 C ATOM 1243 O TRP A 77 79.120 -7.078 1.095 1.00 0.00 O ATOM 1244 CB TRP A 77 79.527 -8.148 -2.123 1.00 0.00 C ATOM 1245 CG TRP A 77 79.003 -8.983 -3.251 1.00 0.00 C ATOM 1246 CD1 TRP A 77 77.765 -9.529 -3.308 1.00 0.00 C ATOM 1247 CD2 TRP A 77 79.680 -9.376 -4.480 1.00 0.00 C ATOM 1248 NE1 TRP A 77 77.643 -10.234 -4.490 1.00 0.00 N ATOM 1249 CE2 TRP A 77 78.795 -10.169 -5.248 1.00 0.00 C ATOM 1250 CE3 TRP A 77 80.963 -9.123 -4.998 1.00 0.00 C ATOM 1251 CZ2 TRP A 77 79.170 -10.694 -6.485 1.00 0.00 C ATOM 1252 CZ3 TRP A 77 81.344 -9.649 -6.243 1.00 0.00 C ATOM 1253 CH2 TRP A 77 80.449 -10.433 -6.985 1.00 0.00 C ATOM 0 H TRP A 77 76.595 -8.264 -0.923 1.00 0.00 H new ATOM 0 HA TRP A 77 78.510 -9.487 -0.788 1.00 0.00 H new ATOM 0 HB2 TRP A 77 79.469 -7.091 -2.384 1.00 0.00 H new ATOM 0 HB3 TRP A 77 80.578 -8.376 -1.949 1.00 0.00 H new ATOM 0 HD1 TRP A 77 76.999 -9.430 -2.553 1.00 0.00 H new ATOM 0 HE1 TRP A 77 76.803 -10.741 -4.769 1.00 0.00 H new ATOM 0 HE3 TRP A 77 81.660 -8.520 -4.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 78.477 -11.298 -7.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 82.332 -9.449 -6.631 1.00 0.00 H new ATOM 0 HH2 TRP A 77 80.748 -10.835 -7.942 1.00 0.00 H new ATOM 1264 N THR A 78 80.597 -8.634 0.619 1.00 0.00 N ATOM 1265 CA THR A 78 81.447 -8.309 1.804 1.00 0.00 C ATOM 1266 C THR A 78 82.907 -8.171 1.356 1.00 0.00 C ATOM 1267 O THR A 78 83.207 -8.060 0.184 1.00 0.00 O ATOM 1268 CB THR A 78 81.304 -9.469 2.829 1.00 0.00 C ATOM 1269 OG1 THR A 78 80.284 -10.350 2.382 1.00 0.00 O ATOM 1270 CG2 THR A 78 80.932 -8.956 4.227 1.00 0.00 C ATOM 0 H THR A 78 80.949 -9.395 0.039 1.00 0.00 H new ATOM 0 HA THR A 78 81.134 -7.370 2.262 1.00 0.00 H new ATOM 0 HB THR A 78 82.265 -9.978 2.899 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.186 -11.087 3.020 1.00 0.00 H new ATOM 0 HG21 THR A 78 80.842 -9.799 4.912 1.00 0.00 H new ATOM 0 HG22 THR A 78 81.708 -8.279 4.585 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.981 -8.425 4.179 1.00 0.00 H new ATOM 1278 N LEU A 79 83.808 -8.197 2.294 1.00 0.00 N ATOM 1279 CA LEU A 79 85.253 -8.091 1.960 1.00 0.00 C ATOM 1280 C LEU A 79 85.653 -9.390 1.284 1.00 0.00 C ATOM 1281 O LEU A 79 86.112 -9.416 0.165 1.00 0.00 O ATOM 1282 CB LEU A 79 86.077 -7.962 3.242 1.00 0.00 C ATOM 1283 CG LEU A 79 85.926 -6.574 3.877 1.00 0.00 C ATOM 1284 CD1 LEU A 79 84.451 -6.204 3.997 1.00 0.00 C ATOM 1285 CD2 LEU A 79 86.549 -6.597 5.280 1.00 0.00 C ATOM 0 H LEU A 79 83.603 -8.288 3.289 1.00 0.00 H new ATOM 0 HA LEU A 79 85.428 -7.223 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.763 -8.724 3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 79 87.128 -8.148 3.019 1.00 0.00 H new ATOM 0 HG LEU A 79 86.428 -5.838 3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 79 84.359 -5.217 4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 79 83.997 -6.193 3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 79 83.941 -6.938 4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 79 86.447 -5.614 5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 79 86.038 -7.339 5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 79 87.606 -6.854 5.205 1.00 0.00 H new ATOM 1297 N ASP A 80 85.461 -10.474 1.982 1.00 0.00 N ATOM 1298 CA ASP A 80 85.803 -11.813 1.434 1.00 0.00 C ATOM 1299 C ASP A 80 85.330 -11.913 -0.007 1.00 0.00 C ATOM 1300 O ASP A 80 86.075 -12.265 -0.900 1.00 0.00 O ATOM 1301 CB ASP A 80 85.080 -12.867 2.259 1.00 0.00 C ATOM 1302 CG ASP A 80 85.497 -14.263 1.795 1.00 0.00 C ATOM 1303 OD1 ASP A 80 84.653 -15.143 1.797 1.00 0.00 O ATOM 1304 OD2 ASP A 80 86.654 -14.428 1.445 1.00 0.00 O ATOM 0 H ASP A 80 85.074 -10.487 2.926 1.00 0.00 H new ATOM 0 HA ASP A 80 86.882 -11.964 1.473 1.00 0.00 H new ATOM 0 HB2 ASP A 80 85.315 -12.740 3.316 1.00 0.00 H new ATOM 0 HB3 ASP A 80 84.002 -12.746 2.156 1.00 0.00 H new ATOM 1309 N LYS A 81 84.086 -11.615 -0.231 1.00 0.00 N ATOM 1310 CA LYS A 81 83.534 -11.696 -1.607 1.00 0.00 C ATOM 1311 C LYS A 81 84.499 -11.033 -2.584 1.00 0.00 C ATOM 1312 O LYS A 81 84.920 -11.620 -3.561 1.00 0.00 O ATOM 1313 CB LYS A 81 82.184 -10.979 -1.669 1.00 0.00 C ATOM 1314 CG LYS A 81 81.361 -11.298 -0.422 1.00 0.00 C ATOM 1315 CD LYS A 81 81.312 -12.809 -0.194 1.00 0.00 C ATOM 1316 CE LYS A 81 80.266 -13.142 0.875 1.00 0.00 C ATOM 1317 NZ LYS A 81 79.931 -14.593 0.804 1.00 0.00 N ATOM 0 H LYS A 81 83.423 -11.317 0.484 1.00 0.00 H new ATOM 0 HA LYS A 81 83.400 -12.744 -1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 81 82.339 -9.903 -1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 81 81.640 -11.288 -2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 81 81.798 -10.806 0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 81 80.350 -10.907 -0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 81 81.067 -13.318 -1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 81 82.292 -13.170 0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 81 80.650 -12.894 1.865 1.00 0.00 H new ATOM 0 HE3 LYS A 81 79.369 -12.542 0.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 79.221 -14.821 1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 79.549 -14.815 -0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 80.789 -15.156 0.971 1.00 0.00 H new ATOM 1331 N TYR A 82 84.847 -9.811 -2.320 1.00 0.00 N ATOM 1332 CA TYR A 82 85.785 -9.097 -3.228 1.00 0.00 C ATOM 1333 C TYR A 82 87.198 -9.673 -3.047 1.00 0.00 C ATOM 1334 O TYR A 82 87.916 -9.880 -4.006 1.00 0.00 O ATOM 1335 CB TYR A 82 85.762 -7.586 -2.897 1.00 0.00 C ATOM 1336 CG TYR A 82 84.868 -6.849 -3.879 1.00 0.00 C ATOM 1337 CD1 TYR A 82 85.272 -6.706 -5.212 1.00 0.00 C ATOM 1338 CD2 TYR A 82 83.642 -6.317 -3.459 1.00 0.00 C ATOM 1339 CE1 TYR A 82 84.451 -6.034 -6.125 1.00 0.00 C ATOM 1340 CE2 TYR A 82 82.822 -5.643 -4.373 1.00 0.00 C ATOM 1341 CZ TYR A 82 83.227 -5.502 -5.706 1.00 0.00 C ATOM 1342 OH TYR A 82 82.418 -4.841 -6.608 1.00 0.00 O ATOM 0 H TYR A 82 84.524 -9.273 -1.516 1.00 0.00 H new ATOM 0 HA TYR A 82 85.483 -9.232 -4.267 1.00 0.00 H new ATOM 0 HB2 TYR A 82 85.401 -7.434 -1.880 1.00 0.00 H new ATOM 0 HB3 TYR A 82 86.773 -7.181 -2.940 1.00 0.00 H new ATOM 0 HD1 TYR A 82 86.218 -7.115 -5.536 1.00 0.00 H new ATOM 0 HD2 TYR A 82 83.329 -6.426 -2.431 1.00 0.00 H new ATOM 0 HE1 TYR A 82 84.763 -5.926 -7.153 1.00 0.00 H new ATOM 0 HE2 TYR A 82 81.877 -5.232 -4.050 1.00 0.00 H new ATOM 0 HH TYR A 82 81.607 -5.367 -6.767 1.00 0.00 H new ATOM 1352 N GLY A 83 87.599 -9.928 -1.826 1.00 0.00 N ATOM 1353 CA GLY A 83 88.966 -10.488 -1.563 1.00 0.00 C ATOM 1354 C GLY A 83 89.750 -9.476 -0.735 1.00 0.00 C ATOM 1355 O GLY A 83 90.926 -9.637 -0.476 1.00 0.00 O ATOM 0 H GLY A 83 87.034 -9.771 -0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 83 88.891 -11.436 -1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 83 89.481 -10.689 -2.503 1.00 0.00 H new ATOM 1359 N ILE A 84 89.094 -8.432 -0.320 1.00 0.00 N ATOM 1360 CA ILE A 84 89.768 -7.387 0.492 1.00 0.00 C ATOM 1361 C ILE A 84 90.272 -7.994 1.801 1.00 0.00 C ATOM 1362 O ILE A 84 89.834 -9.046 2.224 1.00 0.00 O ATOM 1363 CB ILE A 84 88.766 -6.274 0.795 1.00 0.00 C ATOM 1364 CG1 ILE A 84 88.300 -5.628 -0.519 1.00 0.00 C ATOM 1365 CG2 ILE A 84 89.428 -5.215 1.676 1.00 0.00 C ATOM 1366 CD1 ILE A 84 86.949 -4.938 -0.303 1.00 0.00 C ATOM 0 H ILE A 84 88.108 -8.257 -0.511 1.00 0.00 H new ATOM 0 HA ILE A 84 90.616 -6.982 -0.060 1.00 0.00 H new ATOM 0 HB ILE A 84 87.907 -6.695 1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 84 89.039 -4.904 -0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 84 88.212 -6.386 -1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 84 88.712 -4.422 1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 84 89.756 -5.672 2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 84 90.289 -4.795 1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 84 86.621 -4.481 -1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 84 86.212 -5.674 0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 84 87.052 -4.168 0.462 1.00 0.00 H new ATOM 1378 N GLN A 85 91.192 -7.333 2.442 1.00 0.00 N ATOM 1379 CA GLN A 85 91.739 -7.852 3.724 1.00 0.00 C ATOM 1380 C GLN A 85 92.648 -6.783 4.346 1.00 0.00 C ATOM 1381 O GLN A 85 92.602 -5.625 3.982 1.00 0.00 O ATOM 1382 CB GLN A 85 92.544 -9.142 3.455 1.00 0.00 C ATOM 1383 CG GLN A 85 92.466 -10.092 4.670 1.00 0.00 C ATOM 1384 CD GLN A 85 91.244 -11.001 4.544 1.00 0.00 C ATOM 1385 OE1 GLN A 85 91.321 -12.188 4.795 1.00 0.00 O ATOM 1386 NE2 GLN A 85 90.114 -10.485 4.164 1.00 0.00 N ATOM 0 H GLN A 85 91.592 -6.448 2.130 1.00 0.00 H new ATOM 0 HA GLN A 85 90.925 -8.081 4.412 1.00 0.00 H new ATOM 0 HB2 GLN A 85 92.154 -9.643 2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 85 93.584 -8.892 3.248 1.00 0.00 H new ATOM 0 HG2 GLN A 85 93.373 -10.694 4.730 1.00 0.00 H new ATOM 0 HG3 GLN A 85 92.406 -9.513 5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 85 90.053 -9.489 3.954 1.00 0.00 H new ATOM 0 HE22 GLN A 85 89.288 -11.076 4.075 1.00 0.00 H new ATOM 1395 N ALA A 86 93.474 -7.169 5.276 1.00 0.00 N ATOM 1396 CA ALA A 86 94.391 -6.192 5.930 1.00 0.00 C ATOM 1397 C ALA A 86 95.464 -5.744 4.943 1.00 0.00 C ATOM 1398 O ALA A 86 95.945 -4.630 4.990 1.00 0.00 O ATOM 1399 CB ALA A 86 95.076 -6.880 7.106 1.00 0.00 C ATOM 0 H ALA A 86 93.555 -8.128 5.615 1.00 0.00 H new ATOM 0 HA ALA A 86 93.819 -5.327 6.265 1.00 0.00 H new ATOM 0 HB1 ALA A 86 95.751 -6.178 7.595 1.00 0.00 H new ATOM 0 HB2 ALA A 86 94.324 -7.217 7.819 1.00 0.00 H new ATOM 0 HB3 ALA A 86 95.644 -7.738 6.745 1.00 0.00 H new ATOM 1405 N ASP A 87 95.848 -6.613 4.061 1.00 0.00 N ATOM 1406 CA ASP A 87 96.897 -6.264 3.073 1.00 0.00 C ATOM 1407 C ASP A 87 96.334 -5.224 2.117 1.00 0.00 C ATOM 1408 O ASP A 87 97.047 -4.593 1.362 1.00 0.00 O ATOM 1409 CB ASP A 87 97.276 -7.533 2.319 1.00 0.00 C ATOM 1410 CG ASP A 87 98.087 -7.190 1.065 1.00 0.00 C ATOM 1411 OD1 ASP A 87 99.259 -7.527 1.031 1.00 0.00 O ATOM 1412 OD2 ASP A 87 97.522 -6.595 0.162 1.00 0.00 O ATOM 0 H ASP A 87 95.477 -7.560 3.981 1.00 0.00 H new ATOM 0 HA ASP A 87 97.781 -5.854 3.561 1.00 0.00 H new ATOM 0 HB2 ASP A 87 97.858 -8.188 2.967 1.00 0.00 H new ATOM 0 HB3 ASP A 87 96.375 -8.079 2.039 1.00 0.00 H new ATOM 1417 N ALA A 88 95.050 -5.047 2.154 1.00 0.00 N ATOM 1418 CA ALA A 88 94.396 -4.053 1.263 1.00 0.00 C ATOM 1419 C ALA A 88 94.197 -2.753 2.045 1.00 0.00 C ATOM 1420 O ALA A 88 93.424 -2.701 2.973 1.00 0.00 O ATOM 1421 CB ALA A 88 93.042 -4.629 0.847 1.00 0.00 C ATOM 0 H ALA A 88 94.415 -5.554 2.771 1.00 0.00 H new ATOM 0 HA ALA A 88 95.002 -3.847 0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 88 92.533 -3.924 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 88 93.194 -5.571 0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 88 92.433 -4.804 1.734 1.00 0.00 H new ATOM 1427 N LYS A 89 94.886 -1.701 1.684 1.00 0.00 N ATOM 1428 CA LYS A 89 94.722 -0.410 2.425 1.00 0.00 C ATOM 1429 C LYS A 89 93.726 0.475 1.693 1.00 0.00 C ATOM 1430 O LYS A 89 93.945 0.905 0.578 1.00 0.00 O ATOM 1431 CB LYS A 89 96.061 0.330 2.546 1.00 0.00 C ATOM 1432 CG LYS A 89 97.200 -0.651 2.840 1.00 0.00 C ATOM 1433 CD LYS A 89 97.109 -1.184 4.282 1.00 0.00 C ATOM 1434 CE LYS A 89 97.813 -2.536 4.364 1.00 0.00 C ATOM 1435 NZ LYS A 89 99.239 -2.382 3.956 1.00 0.00 N ATOM 0 H LYS A 89 95.552 -1.678 0.912 1.00 0.00 H new ATOM 0 HA LYS A 89 94.357 -0.636 3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 89 96.269 0.869 1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 89 96.001 1.073 3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 89 97.159 -1.483 2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 89 98.159 -0.155 2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 89 97.570 -0.478 4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 89 96.065 -1.286 4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 89 97.755 -2.927 5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 89 97.315 -3.257 3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 99.780 -3.216 4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 99.296 -2.294 2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 99.637 -1.529 4.399 1.00 0.00 H new ATOM 1449 N LEU A 90 92.633 0.753 2.332 1.00 0.00 N ATOM 1450 CA LEU A 90 91.590 1.619 1.722 1.00 0.00 C ATOM 1451 C LEU A 90 91.842 3.069 2.131 1.00 0.00 C ATOM 1452 O LEU A 90 92.738 3.367 2.890 1.00 0.00 O ATOM 1453 CB LEU A 90 90.203 1.171 2.192 1.00 0.00 C ATOM 1454 CG LEU A 90 90.163 -0.352 2.275 1.00 0.00 C ATOM 1455 CD1 LEU A 90 88.740 -0.804 2.607 1.00 0.00 C ATOM 1456 CD2 LEU A 90 90.595 -0.958 0.934 1.00 0.00 C ATOM 0 H LEU A 90 92.411 0.412 3.268 1.00 0.00 H new ATOM 0 HA LEU A 90 91.633 1.537 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 90 89.979 1.605 3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 90 89.440 1.529 1.501 1.00 0.00 H new ATOM 0 HG LEU A 90 90.845 -0.689 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 90 88.708 -1.892 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 90 88.437 -0.379 3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 90 88.059 -0.464 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 90 90.564 -2.046 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 90 89.918 -0.623 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 90 91.610 -0.637 0.700 1.00 0.00 H new ATOM 1468 N GLN A 91 91.064 3.968 1.609 1.00 0.00 N ATOM 1469 CA GLN A 91 91.216 5.416 1.938 1.00 0.00 C ATOM 1470 C GLN A 91 89.822 5.976 2.210 1.00 0.00 C ATOM 1471 O GLN A 91 88.841 5.417 1.776 1.00 0.00 O ATOM 1472 CB GLN A 91 91.796 6.181 0.739 1.00 0.00 C ATOM 1473 CG GLN A 91 93.068 5.503 0.197 1.00 0.00 C ATOM 1474 CD GLN A 91 93.268 5.880 -1.263 1.00 0.00 C ATOM 1475 OE1 GLN A 91 94.099 5.315 -1.946 1.00 0.00 O ATOM 1476 NE2 GLN A 91 92.540 6.825 -1.767 1.00 0.00 N ATOM 0 H GLN A 91 90.311 3.760 0.953 1.00 0.00 H new ATOM 0 HA GLN A 91 91.880 5.526 2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 91 91.049 6.240 -0.052 1.00 0.00 H new ATOM 0 HB3 GLN A 91 92.026 7.204 1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 91 93.934 5.810 0.784 1.00 0.00 H new ATOM 0 HG3 GLN A 91 92.985 4.421 0.295 1.00 0.00 H new ATOM 0 HE21 GLN A 91 91.844 7.296 -1.189 1.00 0.00 H new ATOM 0 HE22 GLN A 91 92.663 7.098 -2.742 1.00 0.00 H new ATOM 1485 N PHE A 92 89.728 7.091 2.885 1.00 0.00 N ATOM 1486 CA PHE A 92 88.388 7.717 3.147 1.00 0.00 C ATOM 1487 C PHE A 92 88.411 9.100 2.491 1.00 0.00 C ATOM 1488 O PHE A 92 88.926 10.057 3.034 1.00 0.00 O ATOM 1489 CB PHE A 92 88.134 7.782 4.675 1.00 0.00 C ATOM 1490 CG PHE A 92 87.280 8.981 5.064 1.00 0.00 C ATOM 1491 CD1 PHE A 92 87.576 9.686 6.238 1.00 0.00 C ATOM 1492 CD2 PHE A 92 86.208 9.391 4.259 1.00 0.00 C ATOM 1493 CE1 PHE A 92 86.812 10.798 6.604 1.00 0.00 C ATOM 1494 CE2 PHE A 92 85.440 10.505 4.632 1.00 0.00 C ATOM 1495 CZ PHE A 92 85.745 11.208 5.801 1.00 0.00 C ATOM 0 H PHE A 92 90.523 7.601 3.270 1.00 0.00 H new ATOM 0 HA PHE A 92 87.569 7.135 2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 92 87.641 6.866 4.999 1.00 0.00 H new ATOM 0 HB3 PHE A 92 89.089 7.832 5.199 1.00 0.00 H new ATOM 0 HD1 PHE A 92 88.398 9.369 6.863 1.00 0.00 H new ATOM 0 HD2 PHE A 92 85.974 8.851 3.354 1.00 0.00 H new ATOM 0 HE1 PHE A 92 87.047 11.340 7.508 1.00 0.00 H new ATOM 0 HE2 PHE A 92 84.612 10.820 4.015 1.00 0.00 H new ATOM 0 HZ PHE A 92 85.156 12.068 6.083 1.00 0.00 H new ATOM 1505 N THR A 93 87.886 9.184 1.292 1.00 0.00 N ATOM 1506 CA THR A 93 87.896 10.480 0.531 1.00 0.00 C ATOM 1507 C THR A 93 86.535 10.711 -0.145 1.00 0.00 C ATOM 1508 O THR A 93 85.751 9.794 -0.296 1.00 0.00 O ATOM 1509 CB THR A 93 88.998 10.412 -0.554 1.00 0.00 C ATOM 1510 OG1 THR A 93 88.525 10.992 -1.764 1.00 0.00 O ATOM 1511 CG2 THR A 93 89.383 8.954 -0.826 1.00 0.00 C ATOM 0 H THR A 93 87.447 8.405 0.802 1.00 0.00 H new ATOM 0 HA THR A 93 88.092 11.301 1.220 1.00 0.00 H new ATOM 0 HB THR A 93 89.869 10.961 -0.195 1.00 0.00 H new ATOM 0 HG1 THR A 93 89.228 10.947 -2.445 1.00 0.00 H new ATOM 0 HG21 THR A 93 90.159 8.919 -1.591 1.00 0.00 H new ATOM 0 HG22 THR A 93 89.757 8.499 0.091 1.00 0.00 H new ATOM 0 HG23 THR A 93 88.507 8.405 -1.172 1.00 0.00 H new ATOM 1642 N SER B 547 56.935 28.686 10.498 1.00 0.00 N ATOM 1643 CA SER B 547 56.405 27.726 11.500 1.00 0.00 C ATOM 1644 C SER B 547 57.476 27.594 12.572 1.00 0.00 C ATOM 1645 O SER B 547 58.592 27.241 12.283 1.00 0.00 O ATOM 1646 CB SER B 547 56.154 26.369 10.831 1.00 0.00 C ATOM 1647 OG SER B 547 54.821 26.331 10.338 1.00 0.00 O ATOM 0 HA SER B 547 55.462 28.068 11.927 1.00 0.00 H new ATOM 0 HB2 SER B 547 56.861 26.216 10.015 1.00 0.00 H new ATOM 0 HB3 SER B 547 56.313 25.562 11.546 1.00 0.00 H new ATOM 0 HG SER B 547 54.656 25.466 9.908 1.00 0.00 H new ATOM 1653 N LEU B 548 57.180 27.917 13.789 1.00 0.00 N ATOM 1654 CA LEU B 548 58.236 27.843 14.828 1.00 0.00 C ATOM 1655 C LEU B 548 58.801 26.430 14.924 1.00 0.00 C ATOM 1656 O LEU B 548 58.073 25.469 14.998 1.00 0.00 O ATOM 1657 CB LEU B 548 57.652 28.280 16.191 1.00 0.00 C ATOM 1658 CG LEU B 548 58.003 29.755 16.467 1.00 0.00 C ATOM 1659 CD1 LEU B 548 57.211 30.664 15.525 1.00 0.00 C ATOM 1660 CD2 LEU B 548 57.669 30.113 17.911 1.00 0.00 C ATOM 0 H LEU B 548 56.263 28.227 14.111 1.00 0.00 H new ATOM 0 HA LEU B 548 59.049 28.515 14.552 1.00 0.00 H new ATOM 0 HB2 LEU B 548 56.570 28.149 16.191 1.00 0.00 H new ATOM 0 HB3 LEU B 548 58.049 27.648 16.985 1.00 0.00 H new ATOM 0 HG LEU B 548 59.071 29.897 16.298 1.00 0.00 H new ATOM 0 HD11 LEU B 548 57.464 31.705 15.726 1.00 0.00 H new ATOM 0 HD12 LEU B 548 57.460 30.423 14.492 1.00 0.00 H new ATOM 0 HD13 LEU B 548 56.144 30.513 15.686 1.00 0.00 H new ATOM 0 HD21 LEU B 548 57.921 31.157 18.095 1.00 0.00 H new ATOM 0 HD22 LEU B 548 56.604 29.961 18.087 1.00 0.00 H new ATOM 0 HD23 LEU B 548 58.243 29.477 18.585 1.00 0.00 H new ATOM 1672 N CYS B 549 60.106 26.309 14.970 1.00 0.00 N ATOM 1673 CA CYS B 549 60.718 24.964 15.103 1.00 0.00 C ATOM 1674 C CYS B 549 60.702 24.645 16.588 1.00 0.00 C ATOM 1675 O CYS B 549 61.465 25.179 17.366 1.00 0.00 O ATOM 1676 CB CYS B 549 62.164 25.027 14.580 1.00 0.00 C ATOM 1677 SG CYS B 549 63.196 23.714 15.308 1.00 0.00 S ATOM 0 H CYS B 549 60.766 27.085 14.921 1.00 0.00 H new ATOM 0 HA CYS B 549 60.184 24.201 14.536 1.00 0.00 H new ATOM 0 HB2 CYS B 549 62.164 24.931 13.494 1.00 0.00 H new ATOM 0 HB3 CYS B 549 62.594 26.001 14.814 1.00 0.00 H new ATOM 0 HG CYS B 549 64.169 24.251 15.983 1.00 0.00 H new ATOM 1682 N SER B 550 59.800 23.800 16.984 1.00 0.00 N ATOM 1683 CA SER B 550 59.676 23.464 18.424 1.00 0.00 C ATOM 1684 C SER B 550 61.033 23.078 18.978 1.00 0.00 C ATOM 1685 O SER B 550 61.740 22.249 18.441 1.00 0.00 O ATOM 1686 CB SER B 550 58.656 22.349 18.627 1.00 0.00 C ATOM 1687 OG SER B 550 58.762 21.853 19.955 1.00 0.00 O ATOM 0 H SER B 550 59.139 23.324 16.369 1.00 0.00 H new ATOM 0 HA SER B 550 59.319 24.339 18.967 1.00 0.00 H new ATOM 0 HB2 SER B 550 57.649 22.724 18.446 1.00 0.00 H new ATOM 0 HB3 SER B 550 58.831 21.546 17.911 1.00 0.00 H new ATOM 0 HG SER B 550 57.873 21.829 20.367 1.00 0.00 H new ATOM 1693 N GLY B 551 61.409 23.731 20.036 1.00 0.00 N ATOM 1694 CA GLY B 551 62.741 23.499 20.660 1.00 0.00 C ATOM 1695 C GLY B 551 63.559 24.745 20.387 1.00 0.00 C ATOM 1696 O GLY B 551 64.352 25.190 21.193 1.00 0.00 O ATOM 0 H GLY B 551 60.838 24.432 20.507 1.00 0.00 H new ATOM 0 HA2 GLY B 551 62.644 23.324 21.732 1.00 0.00 H new ATOM 0 HA3 GLY B 551 63.221 22.617 20.236 1.00 0.00 H new ATOM 1700 N CYS B 552 63.328 25.326 19.246 1.00 0.00 N ATOM 1701 CA CYS B 552 64.022 26.571 18.857 1.00 0.00 C ATOM 1702 C CYS B 552 63.018 27.711 18.986 1.00 0.00 C ATOM 1703 O CYS B 552 63.346 28.822 19.349 1.00 0.00 O ATOM 1704 CB CYS B 552 64.434 26.445 17.393 1.00 0.00 C ATOM 1705 SG CYS B 552 66.005 25.562 17.260 1.00 0.00 S ATOM 0 H CYS B 552 62.668 24.976 18.551 1.00 0.00 H new ATOM 0 HA CYS B 552 64.897 26.752 19.481 1.00 0.00 H new ATOM 0 HB2 CYS B 552 63.662 25.915 16.835 1.00 0.00 H new ATOM 0 HB3 CYS B 552 64.526 27.435 16.947 1.00 0.00 H new ATOM 0 HG CYS B 552 66.364 25.500 16.012 1.00 0.00 H new ATOM 1710 N GLN B 553 61.792 27.420 18.663 1.00 0.00 N ATOM 1711 CA GLN B 553 60.722 28.440 18.714 1.00 0.00 C ATOM 1712 C GLN B 553 61.105 29.637 17.865 1.00 0.00 C ATOM 1713 O GLN B 553 61.113 30.771 18.296 1.00 0.00 O ATOM 1714 CB GLN B 553 60.427 28.848 20.143 1.00 0.00 C ATOM 1715 CG GLN B 553 59.848 27.638 20.875 1.00 0.00 C ATOM 1716 CD GLN B 553 58.472 27.264 20.313 1.00 0.00 C ATOM 1717 OE1 GLN B 553 57.453 27.664 20.838 1.00 0.00 O ATOM 1718 NE2 GLN B 553 58.413 26.504 19.255 1.00 0.00 N ATOM 0 H GLN B 553 61.484 26.496 18.360 1.00 0.00 H new ATOM 0 HA GLN B 553 59.808 28.008 18.306 1.00 0.00 H new ATOM 0 HB2 GLN B 553 61.337 29.191 20.636 1.00 0.00 H new ATOM 0 HB3 GLN B 553 59.721 29.678 20.163 1.00 0.00 H new ATOM 0 HG2 GLN B 553 60.527 26.791 20.778 1.00 0.00 H new ATOM 0 HG3 GLN B 553 59.763 27.859 21.939 1.00 0.00 H new ATOM 0 HE21 GLN B 553 59.272 26.171 18.818 1.00 0.00 H new ATOM 0 HE22 GLN B 553 57.508 26.243 18.865 1.00 0.00 H new ATOM 1727 N LYS B 554 61.374 29.352 16.632 1.00 0.00 N ATOM 1728 CA LYS B 554 61.725 30.403 15.626 1.00 0.00 C ATOM 1729 C LYS B 554 61.038 30.011 14.301 1.00 0.00 C ATOM 1730 O LYS B 554 61.239 28.909 13.829 1.00 0.00 O ATOM 1731 CB LYS B 554 63.241 30.442 15.404 1.00 0.00 C ATOM 1732 CG LYS B 554 63.962 30.828 16.701 1.00 0.00 C ATOM 1733 CD LYS B 554 63.647 32.285 17.076 1.00 0.00 C ATOM 1734 CE LYS B 554 64.740 32.829 18.002 1.00 0.00 C ATOM 1735 NZ LYS B 554 64.771 32.027 19.258 1.00 0.00 N ATOM 0 H LYS B 554 61.367 28.403 16.258 1.00 0.00 H new ATOM 0 HA LYS B 554 61.399 31.383 15.975 1.00 0.00 H new ATOM 0 HB2 LYS B 554 63.590 29.467 15.063 1.00 0.00 H new ATOM 0 HB3 LYS B 554 63.482 31.159 14.619 1.00 0.00 H new ATOM 0 HG2 LYS B 554 63.653 30.163 17.508 1.00 0.00 H new ATOM 0 HG3 LYS B 554 65.038 30.702 16.578 1.00 0.00 H new ATOM 0 HD2 LYS B 554 63.582 32.896 16.176 1.00 0.00 H new ATOM 0 HD3 LYS B 554 62.677 32.342 17.570 1.00 0.00 H new ATOM 0 HE2 LYS B 554 65.709 32.783 17.505 1.00 0.00 H new ATOM 0 HE3 LYS B 554 64.549 33.877 18.232 1.00 0.00 H new ATOM 0 HZ1 LYS B 554 65.320 32.535 19.981 1.00 0.00 H new ATOM 0 HZ2 LYS B 554 63.800 31.880 19.600 1.00 0.00 H new ATOM 0 HZ3 LYS B 554 65.215 31.106 19.071 1.00 0.00 H new ATOM 1749 N PRO B 555 60.219 30.850 13.697 1.00 0.00 N ATOM 1750 CA PRO B 555 59.530 30.460 12.434 1.00 0.00 C ATOM 1751 C PRO B 555 60.425 29.755 11.416 1.00 0.00 C ATOM 1752 O PRO B 555 61.526 30.174 11.119 1.00 0.00 O ATOM 1753 CB PRO B 555 59.046 31.807 11.899 1.00 0.00 C ATOM 1754 CG PRO B 555 58.954 32.756 13.104 1.00 0.00 C ATOM 1755 CD PRO B 555 59.894 32.213 14.203 1.00 0.00 C ATOM 0 HA PRO B 555 58.744 29.727 12.616 1.00 0.00 H new ATOM 0 HB2 PRO B 555 59.737 32.197 11.152 1.00 0.00 H new ATOM 0 HB3 PRO B 555 58.076 31.704 11.413 1.00 0.00 H new ATOM 0 HG2 PRO B 555 59.244 33.767 12.818 1.00 0.00 H new ATOM 0 HG3 PRO B 555 57.929 32.811 13.470 1.00 0.00 H new ATOM 0 HD2 PRO B 555 60.786 32.829 14.316 1.00 0.00 H new ATOM 0 HD3 PRO B 555 59.405 32.180 15.177 1.00 0.00 H new ATOM 1763 N ILE B 556 59.918 28.687 10.874 1.00 0.00 N ATOM 1764 CA ILE B 556 60.660 27.909 9.851 1.00 0.00 C ATOM 1765 C ILE B 556 60.263 28.450 8.475 1.00 0.00 C ATOM 1766 O ILE B 556 59.217 28.122 7.950 1.00 0.00 O ATOM 1767 CB ILE B 556 60.249 26.440 9.976 1.00 0.00 C ATOM 1768 CG1 ILE B 556 60.771 25.852 11.310 1.00 0.00 C ATOM 1769 CG2 ILE B 556 60.830 25.651 8.811 1.00 0.00 C ATOM 1770 CD1 ILE B 556 59.893 24.664 11.764 1.00 0.00 C ATOM 0 H ILE B 556 58.997 28.313 11.104 1.00 0.00 H new ATOM 0 HA ILE B 556 61.738 27.995 9.985 1.00 0.00 H new ATOM 0 HB ILE B 556 59.161 26.372 9.960 1.00 0.00 H new ATOM 0 HG12 ILE B 556 61.803 25.523 11.189 1.00 0.00 H new ATOM 0 HG13 ILE B 556 60.771 26.625 12.078 1.00 0.00 H new ATOM 0 HG21 ILE B 556 60.538 24.604 8.899 1.00 0.00 H new ATOM 0 HG22 ILE B 556 60.451 26.056 7.873 1.00 0.00 H new ATOM 0 HG23 ILE B 556 61.917 25.727 8.826 1.00 0.00 H new ATOM 0 HD11 ILE B 556 60.277 24.266 12.703 1.00 0.00 H new ATOM 0 HD12 ILE B 556 58.867 25.003 11.906 1.00 0.00 H new ATOM 0 HD13 ILE B 556 59.915 23.884 11.003 1.00 0.00 H new ATOM 1782 N THR B 557 61.070 29.307 7.902 1.00 0.00 N ATOM 1783 CA THR B 557 60.723 29.911 6.576 1.00 0.00 C ATOM 1784 C THR B 557 61.457 29.207 5.435 1.00 0.00 C ATOM 1785 O THR B 557 62.563 29.554 5.070 1.00 0.00 O ATOM 1786 CB THR B 557 61.099 31.389 6.609 1.00 0.00 C ATOM 1787 OG1 THR B 557 62.500 31.527 6.416 1.00 0.00 O ATOM 1788 CG2 THR B 557 60.704 31.958 7.971 1.00 0.00 C ATOM 0 H THR B 557 61.958 29.617 8.296 1.00 0.00 H new ATOM 0 HA THR B 557 59.654 29.794 6.397 1.00 0.00 H new ATOM 0 HB THR B 557 60.580 31.928 5.817 1.00 0.00 H new ATOM 0 HG1 THR B 557 62.754 31.121 5.561 1.00 0.00 H new ATOM 0 HG21 THR B 557 60.966 33.015 8.013 1.00 0.00 H new ATOM 0 HG22 THR B 557 59.630 31.844 8.115 1.00 0.00 H new ATOM 0 HG23 THR B 557 61.235 31.421 8.757 1.00 0.00 H new ATOM 1796 N GLY B 558 60.826 28.220 4.869 1.00 0.00 N ATOM 1797 CA GLY B 558 61.427 27.460 3.740 1.00 0.00 C ATOM 1798 C GLY B 558 60.787 26.078 3.728 1.00 0.00 C ATOM 1799 O GLY B 558 59.709 25.881 3.203 1.00 0.00 O ATOM 0 H GLY B 558 59.898 27.901 5.147 1.00 0.00 H new ATOM 0 HA2 GLY B 558 61.250 27.973 2.795 1.00 0.00 H new ATOM 0 HA3 GLY B 558 62.507 27.381 3.862 1.00 0.00 H new ATOM 1803 N ARG B 559 61.433 25.133 4.345 1.00 0.00 N ATOM 1804 CA ARG B 559 60.887 23.753 4.440 1.00 0.00 C ATOM 1805 C ARG B 559 60.594 23.496 5.910 1.00 0.00 C ATOM 1806 O ARG B 559 61.237 24.057 6.774 1.00 0.00 O ATOM 1807 CB ARG B 559 61.943 22.759 3.931 1.00 0.00 C ATOM 1808 CG ARG B 559 61.811 22.590 2.410 1.00 0.00 C ATOM 1809 CD ARG B 559 60.761 21.520 2.089 1.00 0.00 C ATOM 1810 NE ARG B 559 60.305 21.678 0.680 1.00 0.00 N ATOM 1811 CZ ARG B 559 59.649 20.713 0.096 1.00 0.00 C ATOM 1812 NH1 ARG B 559 59.250 20.849 -1.138 1.00 0.00 N ATOM 1813 NH2 ARG B 559 59.390 19.612 0.747 1.00 0.00 N ATOM 0 H ARG B 559 62.338 25.262 4.798 1.00 0.00 H new ATOM 0 HA ARG B 559 59.984 23.635 3.841 1.00 0.00 H new ATOM 0 HB2 ARG B 559 62.942 23.117 4.181 1.00 0.00 H new ATOM 0 HB3 ARG B 559 61.817 21.796 4.425 1.00 0.00 H new ATOM 0 HG2 ARG B 559 61.527 23.538 1.954 1.00 0.00 H new ATOM 0 HG3 ARG B 559 62.773 22.307 1.983 1.00 0.00 H new ATOM 0 HD2 ARG B 559 61.183 20.526 2.237 1.00 0.00 H new ATOM 0 HD3 ARG B 559 59.914 21.611 2.769 1.00 0.00 H new ATOM 0 HE ARG B 559 60.505 22.540 0.172 1.00 0.00 H new ATOM 0 HH11 ARG B 559 59.451 21.710 -1.647 1.00 0.00 H new ATOM 0 HH12 ARG B 559 58.737 20.094 -1.594 1.00 0.00 H new ATOM 0 HH21 ARG B 559 59.700 19.506 1.713 1.00 0.00 H new ATOM 0 HH22 ARG B 559 58.877 18.858 0.290 1.00 0.00 H new ATOM 1827 N CYS B 560 59.635 22.667 6.219 1.00 0.00 N ATOM 1828 CA CYS B 560 59.335 22.409 7.657 1.00 0.00 C ATOM 1829 C CYS B 560 58.923 20.972 7.893 1.00 0.00 C ATOM 1830 O CYS B 560 58.004 20.453 7.291 1.00 0.00 O ATOM 1831 CB CYS B 560 58.224 23.337 8.141 1.00 0.00 C ATOM 1832 SG CYS B 560 56.752 23.105 7.112 1.00 0.00 S ATOM 0 H CYS B 560 59.053 22.163 5.550 1.00 0.00 H new ATOM 0 HA CYS B 560 60.249 22.602 8.219 1.00 0.00 H new ATOM 0 HB2 CYS B 560 57.988 23.126 9.184 1.00 0.00 H new ATOM 0 HB3 CYS B 560 58.555 24.374 8.092 1.00 0.00 H new ATOM 0 HG CYS B 560 56.668 21.859 6.749 1.00 0.00 H new ATOM 1838 N ILE B 561 59.601 20.341 8.803 1.00 0.00 N ATOM 1839 CA ILE B 561 59.286 18.948 9.156 1.00 0.00 C ATOM 1840 C ILE B 561 58.296 18.966 10.295 1.00 0.00 C ATOM 1841 O ILE B 561 58.324 19.828 11.147 1.00 0.00 O ATOM 1842 CB ILE B 561 60.567 18.264 9.606 1.00 0.00 C ATOM 1843 CG1 ILE B 561 61.500 18.231 8.409 1.00 0.00 C ATOM 1844 CG2 ILE B 561 60.290 16.832 10.082 1.00 0.00 C ATOM 1845 CD1 ILE B 561 62.763 17.458 8.760 1.00 0.00 C ATOM 0 H ILE B 561 60.377 20.747 9.325 1.00 0.00 H new ATOM 0 HA ILE B 561 58.865 18.413 8.304 1.00 0.00 H new ATOM 0 HB ILE B 561 61.008 18.809 10.441 1.00 0.00 H new ATOM 0 HG12 ILE B 561 61.001 17.764 7.560 1.00 0.00 H new ATOM 0 HG13 ILE B 561 61.756 19.247 8.108 1.00 0.00 H new ATOM 0 HG21 ILE B 561 61.224 16.367 10.398 1.00 0.00 H new ATOM 0 HG22 ILE B 561 59.594 16.856 10.921 1.00 0.00 H new ATOM 0 HG23 ILE B 561 59.855 16.255 9.266 1.00 0.00 H new ATOM 0 HD11 ILE B 561 63.429 17.438 7.897 1.00 0.00 H new ATOM 0 HD12 ILE B 561 63.267 17.944 9.596 1.00 0.00 H new ATOM 0 HD13 ILE B 561 62.499 16.438 9.039 1.00 0.00 H new ATOM 1857 N THR B 562 57.433 18.003 10.310 1.00 0.00 N ATOM 1858 CA THR B 562 56.412 17.904 11.394 1.00 0.00 C ATOM 1859 C THR B 562 56.634 16.615 12.157 1.00 0.00 C ATOM 1860 O THR B 562 57.064 15.616 11.613 1.00 0.00 O ATOM 1861 CB THR B 562 54.994 17.919 10.826 1.00 0.00 C ATOM 1862 OG1 THR B 562 54.879 18.955 9.860 1.00 0.00 O ATOM 1863 CG2 THR B 562 54.003 18.163 11.971 1.00 0.00 C ATOM 0 H THR B 562 57.384 17.264 9.609 1.00 0.00 H new ATOM 0 HA THR B 562 56.520 18.765 12.054 1.00 0.00 H new ATOM 0 HB THR B 562 54.775 16.964 10.349 1.00 0.00 H new ATOM 0 HG1 THR B 562 53.970 18.963 9.495 1.00 0.00 H new ATOM 0 HG21 THR B 562 52.987 18.176 11.576 1.00 0.00 H new ATOM 0 HG22 THR B 562 54.096 17.366 12.709 1.00 0.00 H new ATOM 0 HG23 THR B 562 54.221 19.121 12.443 1.00 0.00 H new ATOM 1871 N ALA B 563 56.363 16.648 13.423 1.00 0.00 N ATOM 1872 CA ALA B 563 56.563 15.463 14.290 1.00 0.00 C ATOM 1873 C ALA B 563 55.250 15.110 14.974 1.00 0.00 C ATOM 1874 O ALA B 563 54.217 14.986 14.345 1.00 0.00 O ATOM 1875 CB ALA B 563 57.622 15.805 15.325 1.00 0.00 C ATOM 0 H ALA B 563 56.001 17.469 13.908 1.00 0.00 H new ATOM 0 HA ALA B 563 56.888 14.606 13.700 1.00 0.00 H new ATOM 0 HB1 ALA B 563 57.786 14.946 15.975 1.00 0.00 H new ATOM 0 HB2 ALA B 563 58.554 16.062 14.821 1.00 0.00 H new ATOM 0 HB3 ALA B 563 57.287 16.653 15.922 1.00 0.00 H new ATOM 1881 N MET B 564 55.287 14.949 16.260 1.00 0.00 N ATOM 1882 CA MET B 564 54.061 14.608 17.033 1.00 0.00 C ATOM 1883 C MET B 564 53.084 15.779 16.964 1.00 0.00 C ATOM 1884 O MET B 564 52.297 15.990 17.860 1.00 0.00 O ATOM 1885 CB MET B 564 54.461 14.372 18.485 1.00 0.00 C ATOM 1886 CG MET B 564 55.822 13.675 18.533 1.00 0.00 C ATOM 1887 SD MET B 564 56.080 12.961 20.176 1.00 0.00 S ATOM 1888 CE MET B 564 55.420 11.315 19.817 1.00 0.00 C ATOM 0 H MET B 564 56.132 15.041 16.824 1.00 0.00 H new ATOM 0 HA MET B 564 53.588 13.716 16.622 1.00 0.00 H new ATOM 0 HB2 MET B 564 54.508 15.321 19.019 1.00 0.00 H new ATOM 0 HB3 MET B 564 53.710 13.761 18.985 1.00 0.00 H new ATOM 0 HG2 MET B 564 55.869 12.894 17.774 1.00 0.00 H new ATOM 0 HG3 MET B 564 56.615 14.388 18.306 1.00 0.00 H new ATOM 0 HE1 MET B 564 55.483 10.695 20.711 1.00 0.00 H new ATOM 0 HE2 MET B 564 54.379 11.400 19.507 1.00 0.00 H new ATOM 0 HE3 MET B 564 56.001 10.857 19.016 1.00 0.00 H new ATOM 1898 N ALA B 565 53.200 16.534 15.911 1.00 0.00 N ATOM 1899 CA ALA B 565 52.381 17.757 15.655 1.00 0.00 C ATOM 1900 C ALA B 565 53.312 18.943 15.821 1.00 0.00 C ATOM 1901 O ALA B 565 52.979 20.067 15.502 1.00 0.00 O ATOM 1902 CB ALA B 565 51.195 17.905 16.613 1.00 0.00 C ATOM 0 H ALA B 565 53.873 16.341 15.169 1.00 0.00 H new ATOM 0 HA ALA B 565 51.953 17.691 14.655 1.00 0.00 H new ATOM 0 HB1 ALA B 565 50.643 18.813 16.371 1.00 0.00 H new ATOM 0 HB2 ALA B 565 50.536 17.043 16.512 1.00 0.00 H new ATOM 0 HB3 ALA B 565 51.561 17.964 17.638 1.00 0.00 H new ATOM 1908 N LYS B 566 54.498 18.686 16.306 1.00 0.00 N ATOM 1909 CA LYS B 566 55.481 19.783 16.481 1.00 0.00 C ATOM 1910 C LYS B 566 56.156 20.033 15.139 1.00 0.00 C ATOM 1911 O LYS B 566 56.132 19.194 14.268 1.00 0.00 O ATOM 1912 CB LYS B 566 56.543 19.354 17.507 1.00 0.00 C ATOM 1913 CG LYS B 566 56.160 19.844 18.906 1.00 0.00 C ATOM 1914 CD LYS B 566 56.970 19.071 19.961 1.00 0.00 C ATOM 1915 CE LYS B 566 56.232 17.779 20.344 1.00 0.00 C ATOM 1916 NZ LYS B 566 57.206 16.795 20.893 1.00 0.00 N ATOM 0 H LYS B 566 54.824 17.761 16.587 1.00 0.00 H new ATOM 0 HA LYS B 566 54.983 20.687 16.832 1.00 0.00 H new ATOM 0 HB2 LYS B 566 56.639 18.268 17.508 1.00 0.00 H new ATOM 0 HB3 LYS B 566 57.515 19.760 17.226 1.00 0.00 H new ATOM 0 HG2 LYS B 566 56.355 20.913 18.994 1.00 0.00 H new ATOM 0 HG3 LYS B 566 55.093 19.699 19.074 1.00 0.00 H new ATOM 0 HD2 LYS B 566 57.959 18.833 19.570 1.00 0.00 H new ATOM 0 HD3 LYS B 566 57.118 19.691 20.845 1.00 0.00 H new ATOM 0 HE2 LYS B 566 55.460 17.994 21.083 1.00 0.00 H new ATOM 0 HE3 LYS B 566 55.730 17.362 19.471 1.00 0.00 H new ATOM 0 HZ1 LYS B 566 56.707 15.920 21.152 1.00 0.00 H new ATOM 0 HZ2 LYS B 566 57.927 16.582 20.174 1.00 0.00 H new ATOM 0 HZ3 LYS B 566 57.665 17.195 21.736 1.00 0.00 H new ATOM 1930 N LYS B 567 56.776 21.168 14.980 1.00 0.00 N ATOM 1931 CA LYS B 567 57.484 21.479 13.706 1.00 0.00 C ATOM 1932 C LYS B 567 58.975 21.307 13.967 1.00 0.00 C ATOM 1933 O LYS B 567 59.379 21.050 15.083 1.00 0.00 O ATOM 1934 CB LYS B 567 57.166 22.913 13.282 1.00 0.00 C ATOM 1935 CG LYS B 567 55.702 23.245 13.620 1.00 0.00 C ATOM 1936 CD LYS B 567 54.736 22.277 12.908 1.00 0.00 C ATOM 1937 CE LYS B 567 54.873 22.428 11.392 1.00 0.00 C ATOM 1938 NZ LYS B 567 53.655 21.883 10.729 1.00 0.00 N ATOM 0 H LYS B 567 56.823 21.902 15.686 1.00 0.00 H new ATOM 0 HA LYS B 567 57.166 20.816 12.901 1.00 0.00 H new ATOM 0 HB2 LYS B 567 57.833 23.609 13.791 1.00 0.00 H new ATOM 0 HB3 LYS B 567 57.338 23.032 12.212 1.00 0.00 H new ATOM 0 HG2 LYS B 567 55.552 23.186 14.698 1.00 0.00 H new ATOM 0 HG3 LYS B 567 55.480 24.270 13.323 1.00 0.00 H new ATOM 0 HD2 LYS B 567 54.954 21.250 13.201 1.00 0.00 H new ATOM 0 HD3 LYS B 567 53.710 22.484 13.212 1.00 0.00 H new ATOM 0 HE2 LYS B 567 55.004 23.478 11.130 1.00 0.00 H new ATOM 0 HE3 LYS B 567 55.759 21.899 11.041 1.00 0.00 H new ATOM 0 HZ1 LYS B 567 53.328 22.550 10.001 1.00 0.00 H new ATOM 0 HZ2 LYS B 567 53.881 20.970 10.285 1.00 0.00 H new ATOM 0 HZ3 LYS B 567 52.905 21.748 11.437 1.00 0.00 H new ATOM 1952 N PHE B 568 59.807 21.421 12.973 1.00 0.00 N ATOM 1953 CA PHE B 568 61.258 21.228 13.249 1.00 0.00 C ATOM 1954 C PHE B 568 62.087 21.839 12.133 1.00 0.00 C ATOM 1955 O PHE B 568 61.832 21.625 10.965 1.00 0.00 O ATOM 1956 CB PHE B 568 61.556 19.705 13.337 1.00 0.00 C ATOM 1957 CG PHE B 568 61.839 19.297 14.771 1.00 0.00 C ATOM 1958 CD1 PHE B 568 60.823 18.731 15.551 1.00 0.00 C ATOM 1959 CD2 PHE B 568 63.115 19.487 15.316 1.00 0.00 C ATOM 1960 CE1 PHE B 568 61.083 18.355 16.875 1.00 0.00 C ATOM 1961 CE2 PHE B 568 63.375 19.111 16.639 1.00 0.00 C ATOM 1962 CZ PHE B 568 62.359 18.545 17.419 1.00 0.00 C ATOM 0 H PHE B 568 59.558 21.633 12.007 1.00 0.00 H new ATOM 0 HA PHE B 568 61.515 21.716 14.189 1.00 0.00 H new ATOM 0 HB2 PHE B 568 60.706 19.140 12.954 1.00 0.00 H new ATOM 0 HB3 PHE B 568 62.412 19.460 12.708 1.00 0.00 H new ATOM 0 HD1 PHE B 568 59.839 18.584 15.132 1.00 0.00 H new ATOM 0 HD2 PHE B 568 63.899 19.924 14.715 1.00 0.00 H new ATOM 0 HE1 PHE B 568 60.299 17.919 17.476 1.00 0.00 H new ATOM 0 HE2 PHE B 568 64.359 19.257 17.058 1.00 0.00 H new ATOM 0 HZ PHE B 568 62.560 18.255 18.440 1.00 0.00 H new ATOM 1972 N HIS B 569 63.115 22.555 12.483 1.00 0.00 N ATOM 1973 CA HIS B 569 63.988 23.118 11.431 1.00 0.00 C ATOM 1974 C HIS B 569 64.442 21.919 10.578 1.00 0.00 C ATOM 1975 O HIS B 569 65.104 21.041 11.094 1.00 0.00 O ATOM 1976 CB HIS B 569 65.222 23.759 12.078 1.00 0.00 C ATOM 1977 CG HIS B 569 64.947 25.184 12.467 1.00 0.00 C ATOM 1978 ND1 HIS B 569 65.020 25.599 13.783 1.00 0.00 N ATOM 1979 CD2 HIS B 569 64.646 26.302 11.731 1.00 0.00 C ATOM 1980 CE1 HIS B 569 64.776 26.922 13.802 1.00 0.00 C ATOM 1981 NE2 HIS B 569 64.539 27.401 12.578 1.00 0.00 N ATOM 0 H HIS B 569 63.384 22.771 13.443 1.00 0.00 H new ATOM 0 HA HIS B 569 63.469 23.873 10.841 1.00 0.00 H new ATOM 0 HB2 HIS B 569 65.513 23.187 12.959 1.00 0.00 H new ATOM 0 HB3 HIS B 569 66.061 23.723 11.383 1.00 0.00 H new ATOM 0 HD1 HIS B 569 65.222 25.011 14.591 1.00 0.00 H new ATOM 0 HD2 HIS B 569 64.513 26.326 10.660 1.00 0.00 H new ATOM 0 HE1 HIS B 569 64.772 27.524 14.699 1.00 0.00 H new ATOM 1988 N PRO B 570 64.091 21.834 9.317 1.00 0.00 N ATOM 1989 CA PRO B 570 64.513 20.665 8.506 1.00 0.00 C ATOM 1990 C PRO B 570 66.004 20.346 8.704 1.00 0.00 C ATOM 1991 O PRO B 570 66.499 19.328 8.265 1.00 0.00 O ATOM 1992 CB PRO B 570 64.195 21.140 7.084 1.00 0.00 C ATOM 1993 CG PRO B 570 63.137 22.245 7.209 1.00 0.00 C ATOM 1994 CD PRO B 570 63.274 22.855 8.609 1.00 0.00 C ATOM 0 HA PRO B 570 64.013 19.733 8.770 1.00 0.00 H new ATOM 0 HB2 PRO B 570 65.092 21.518 6.594 1.00 0.00 H new ATOM 0 HB3 PRO B 570 63.822 20.316 6.476 1.00 0.00 H new ATOM 0 HG2 PRO B 570 63.285 23.006 6.443 1.00 0.00 H new ATOM 0 HG3 PRO B 570 62.137 21.837 7.064 1.00 0.00 H new ATOM 0 HD2 PRO B 570 63.768 23.826 8.584 1.00 0.00 H new ATOM 0 HD3 PRO B 570 62.305 23.003 9.085 1.00 0.00 H new ATOM 2002 N GLU B 571 66.717 21.218 9.380 1.00 0.00 N ATOM 2003 CA GLU B 571 68.169 20.990 9.634 1.00 0.00 C ATOM 2004 C GLU B 571 68.367 20.445 11.053 1.00 0.00 C ATOM 2005 O GLU B 571 69.002 19.442 11.279 1.00 0.00 O ATOM 2006 CB GLU B 571 68.903 22.331 9.514 1.00 0.00 C ATOM 2007 CG GLU B 571 68.264 23.153 8.401 1.00 0.00 C ATOM 2008 CD GLU B 571 69.168 24.336 8.048 1.00 0.00 C ATOM 2009 OE1 GLU B 571 69.096 24.794 6.920 1.00 0.00 O ATOM 2010 OE2 GLU B 571 69.916 24.763 8.912 1.00 0.00 O ATOM 0 H GLU B 571 66.347 22.085 9.769 1.00 0.00 H new ATOM 0 HA GLU B 571 68.559 20.273 8.911 1.00 0.00 H new ATOM 0 HB2 GLU B 571 68.852 22.873 10.458 1.00 0.00 H new ATOM 0 HB3 GLU B 571 69.958 22.164 9.299 1.00 0.00 H new ATOM 0 HG2 GLU B 571 68.105 22.530 7.521 1.00 0.00 H new ATOM 0 HG3 GLU B 571 67.285 23.513 8.718 1.00 0.00 H new ATOM 2017 N HIS B 572 67.830 21.109 12.019 1.00 0.00 N ATOM 2018 CA HIS B 572 68.009 20.627 13.418 1.00 0.00 C ATOM 2019 C HIS B 572 67.447 19.211 13.549 1.00 0.00 C ATOM 2020 O HIS B 572 67.562 18.580 14.581 1.00 0.00 O ATOM 2021 CB HIS B 572 67.324 21.601 14.386 1.00 0.00 C ATOM 2022 CG HIS B 572 67.821 22.992 14.061 1.00 0.00 C ATOM 2023 ND1 HIS B 572 67.143 24.179 14.384 1.00 0.00 N ATOM 2024 CD2 HIS B 572 68.965 23.395 13.411 1.00 0.00 C ATOM 2025 CE1 HIS B 572 67.893 25.200 13.924 1.00 0.00 C ATOM 2026 NE2 HIS B 572 69.006 24.778 13.328 1.00 0.00 N ATOM 0 H HIS B 572 67.277 21.960 11.913 1.00 0.00 H new ATOM 0 HA HIS B 572 69.069 20.591 13.670 1.00 0.00 H new ATOM 0 HB2 HIS B 572 66.240 21.547 14.281 1.00 0.00 H new ATOM 0 HB3 HIS B 572 67.557 21.342 15.419 1.00 0.00 H new ATOM 0 HD2 HIS B 572 69.722 22.730 13.022 1.00 0.00 H new ATOM 0 HE1 HIS B 572 67.622 26.240 14.027 1.00 0.00 H new ATOM 0 HE2 HIS B 572 69.734 25.351 12.901 1.00 0.00 H new ATOM 2033 N PHE B 573 66.869 18.698 12.493 1.00 0.00 N ATOM 2034 CA PHE B 573 66.325 17.307 12.512 1.00 0.00 C ATOM 2035 C PHE B 573 66.811 16.587 11.247 1.00 0.00 C ATOM 2036 O PHE B 573 66.034 16.142 10.426 1.00 0.00 O ATOM 2037 CB PHE B 573 64.802 17.367 12.525 1.00 0.00 C ATOM 2038 CG PHE B 573 64.235 16.037 12.976 1.00 0.00 C ATOM 2039 CD1 PHE B 573 64.384 15.630 14.307 1.00 0.00 C ATOM 2040 CD2 PHE B 573 63.562 15.212 12.064 1.00 0.00 C ATOM 2041 CE1 PHE B 573 63.862 14.401 14.727 1.00 0.00 C ATOM 2042 CE2 PHE B 573 63.040 13.983 12.484 1.00 0.00 C ATOM 2043 CZ PHE B 573 63.190 13.577 13.815 1.00 0.00 C ATOM 0 H PHE B 573 66.750 19.190 11.608 1.00 0.00 H new ATOM 0 HA PHE B 573 66.665 16.771 13.398 1.00 0.00 H new ATOM 0 HB2 PHE B 573 64.467 18.160 13.193 1.00 0.00 H new ATOM 0 HB3 PHE B 573 64.431 17.611 11.530 1.00 0.00 H new ATOM 0 HD1 PHE B 573 64.902 16.265 15.011 1.00 0.00 H new ATOM 0 HD2 PHE B 573 63.446 15.525 11.037 1.00 0.00 H new ATOM 0 HE1 PHE B 573 63.977 14.088 15.754 1.00 0.00 H new ATOM 0 HE2 PHE B 573 62.521 13.348 11.781 1.00 0.00 H new ATOM 0 HZ PHE B 573 62.788 12.629 14.139 1.00 0.00 H new ATOM 2053 N VAL B 574 68.103 16.502 11.087 1.00 0.00 N ATOM 2054 CA VAL B 574 68.698 15.849 9.881 1.00 0.00 C ATOM 2055 C VAL B 574 69.008 14.362 10.160 1.00 0.00 C ATOM 2056 O VAL B 574 68.825 13.867 11.254 1.00 0.00 O ATOM 2057 CB VAL B 574 70.025 16.537 9.535 1.00 0.00 C ATOM 2058 CG1 VAL B 574 69.790 17.937 8.915 1.00 0.00 C ATOM 2059 CG2 VAL B 574 70.862 16.651 10.817 1.00 0.00 C ATOM 0 H VAL B 574 68.786 16.864 11.753 1.00 0.00 H new ATOM 0 HA VAL B 574 67.982 15.932 9.064 1.00 0.00 H new ATOM 0 HB VAL B 574 70.555 15.941 8.792 1.00 0.00 H new ATOM 0 HG11 VAL B 574 70.750 18.397 8.681 1.00 0.00 H new ATOM 0 HG12 VAL B 574 69.204 17.837 8.001 1.00 0.00 H new ATOM 0 HG13 VAL B 574 69.250 18.564 9.625 1.00 0.00 H new ATOM 0 HG21 VAL B 574 71.810 17.138 10.590 1.00 0.00 H new ATOM 0 HG22 VAL B 574 70.318 17.241 11.555 1.00 0.00 H new ATOM 0 HG23 VAL B 574 71.052 15.655 11.217 1.00 0.00 H new ATOM 2069 N CYS B 575 69.499 13.664 9.160 1.00 0.00 N ATOM 2070 CA CYS B 575 69.858 12.214 9.320 1.00 0.00 C ATOM 2071 C CYS B 575 71.156 12.147 10.096 1.00 0.00 C ATOM 2072 O CYS B 575 72.004 13.001 9.928 1.00 0.00 O ATOM 2073 CB CYS B 575 70.035 11.583 7.917 1.00 0.00 C ATOM 2074 SG CYS B 575 71.614 10.682 7.753 1.00 0.00 S ATOM 0 H CYS B 575 69.668 14.042 8.228 1.00 0.00 H new ATOM 0 HA CYS B 575 69.079 11.668 9.852 1.00 0.00 H new ATOM 0 HB2 CYS B 575 69.208 10.900 7.722 1.00 0.00 H new ATOM 0 HB3 CYS B 575 69.987 12.366 7.161 1.00 0.00 H new ATOM 0 HG CYS B 575 72.320 11.214 6.800 1.00 0.00 H new ATOM 2079 N ALA B 576 71.359 11.153 10.934 1.00 0.00 N ATOM 2080 CA ALA B 576 72.669 11.139 11.653 1.00 0.00 C ATOM 2081 C ALA B 576 73.662 10.231 10.914 1.00 0.00 C ATOM 2082 O ALA B 576 74.052 9.182 11.382 1.00 0.00 O ATOM 2083 CB ALA B 576 72.434 10.586 13.067 1.00 0.00 C ATOM 0 H ALA B 576 70.712 10.392 11.142 1.00 0.00 H new ATOM 0 HA ALA B 576 73.079 12.148 11.698 1.00 0.00 H new ATOM 0 HB1 ALA B 576 73.378 10.566 13.612 1.00 0.00 H new ATOM 0 HB2 ALA B 576 71.724 11.224 13.594 1.00 0.00 H new ATOM 0 HB3 ALA B 576 72.033 9.575 13.000 1.00 0.00 H new ATOM 2089 N PHE B 577 74.164 10.740 9.827 1.00 0.00 N ATOM 2090 CA PHE B 577 75.255 10.099 9.035 1.00 0.00 C ATOM 2091 C PHE B 577 75.913 11.291 8.370 1.00 0.00 C ATOM 2092 O PHE B 577 77.053 11.648 8.591 1.00 0.00 O ATOM 2093 CB PHE B 577 74.727 9.117 7.974 1.00 0.00 C ATOM 2094 CG PHE B 577 75.863 8.364 7.255 1.00 0.00 C ATOM 2095 CD1 PHE B 577 75.525 7.393 6.296 1.00 0.00 C ATOM 2096 CD2 PHE B 577 77.237 8.612 7.517 1.00 0.00 C ATOM 2097 CE1 PHE B 577 76.522 6.687 5.616 1.00 0.00 C ATOM 2098 CE2 PHE B 577 78.221 7.893 6.828 1.00 0.00 C ATOM 2099 CZ PHE B 577 77.864 6.935 5.883 1.00 0.00 C ATOM 0 H PHE B 577 73.844 11.625 9.433 1.00 0.00 H new ATOM 0 HA PHE B 577 75.920 9.498 9.656 1.00 0.00 H new ATOM 0 HB2 PHE B 577 74.061 8.397 8.449 1.00 0.00 H new ATOM 0 HB3 PHE B 577 74.135 9.663 7.240 1.00 0.00 H new ATOM 0 HD1 PHE B 577 74.486 7.191 6.083 1.00 0.00 H new ATOM 0 HD2 PHE B 577 77.522 9.355 8.247 1.00 0.00 H new ATOM 0 HE1 PHE B 577 76.249 5.946 4.880 1.00 0.00 H new ATOM 0 HE2 PHE B 577 79.265 8.083 7.031 1.00 0.00 H new ATOM 0 HZ PHE B 577 78.630 6.384 5.357 1.00 0.00 H new ATOM 2109 N CYS B 578 75.083 11.930 7.580 1.00 0.00 N ATOM 2110 CA CYS B 578 75.430 13.170 6.852 1.00 0.00 C ATOM 2111 C CYS B 578 74.464 14.228 7.386 1.00 0.00 C ATOM 2112 O CYS B 578 73.410 14.472 6.842 1.00 0.00 O ATOM 2113 CB CYS B 578 75.212 12.963 5.351 1.00 0.00 C ATOM 2114 SG CYS B 578 73.481 12.508 5.038 1.00 0.00 S ATOM 0 H CYS B 578 74.128 11.614 7.409 1.00 0.00 H new ATOM 0 HA CYS B 578 76.471 13.460 6.996 1.00 0.00 H new ATOM 0 HB2 CYS B 578 75.462 13.875 4.809 1.00 0.00 H new ATOM 0 HB3 CYS B 578 75.876 12.181 4.982 1.00 0.00 H new ATOM 0 HG CYS B 578 72.698 13.263 5.750 1.00 0.00 H new ATOM 2119 N LEU B 579 74.800 14.793 8.495 1.00 0.00 N ATOM 2120 CA LEU B 579 73.924 15.790 9.169 1.00 0.00 C ATOM 2121 C LEU B 579 73.482 16.944 8.255 1.00 0.00 C ATOM 2122 O LEU B 579 73.057 17.966 8.756 1.00 0.00 O ATOM 2123 CB LEU B 579 74.704 16.363 10.345 1.00 0.00 C ATOM 2124 CG LEU B 579 74.983 15.248 11.408 1.00 0.00 C ATOM 2125 CD1 LEU B 579 76.495 15.044 11.601 1.00 0.00 C ATOM 2126 CD2 LEU B 579 74.371 15.633 12.764 1.00 0.00 C ATOM 0 H LEU B 579 75.674 14.604 8.986 1.00 0.00 H new ATOM 0 HA LEU B 579 73.013 15.278 9.478 1.00 0.00 H new ATOM 0 HB2 LEU B 579 75.646 16.784 9.994 1.00 0.00 H new ATOM 0 HB3 LEU B 579 74.141 17.177 10.801 1.00 0.00 H new ATOM 0 HG LEU B 579 74.531 14.326 11.043 1.00 0.00 H new ATOM 0 HD11 LEU B 579 76.665 14.265 12.344 1.00 0.00 H new ATOM 0 HD12 LEU B 579 76.946 14.747 10.654 1.00 0.00 H new ATOM 0 HD13 LEU B 579 76.947 15.975 11.942 1.00 0.00 H new ATOM 0 HD21 LEU B 579 74.574 14.847 13.491 1.00 0.00 H new ATOM 0 HD22 LEU B 579 74.810 16.569 13.109 1.00 0.00 H new ATOM 0 HD23 LEU B 579 73.294 15.757 12.655 1.00 0.00 H new ATOM 2138 N LYS B 580 73.588 16.857 6.940 1.00 0.00 N ATOM 2139 CA LYS B 580 73.169 18.054 6.132 1.00 0.00 C ATOM 2140 C LYS B 580 71.653 18.082 5.848 1.00 0.00 C ATOM 2141 O LYS B 580 71.062 19.144 5.878 1.00 0.00 O ATOM 2142 CB LYS B 580 73.982 18.086 4.803 1.00 0.00 C ATOM 2143 CG LYS B 580 73.275 17.363 3.632 1.00 0.00 C ATOM 2144 CD LYS B 580 73.227 15.856 3.897 1.00 0.00 C ATOM 2145 CE LYS B 580 72.126 15.216 3.051 1.00 0.00 C ATOM 2146 NZ LYS B 580 72.172 15.772 1.669 1.00 0.00 N ATOM 0 H LYS B 580 73.929 16.051 6.416 1.00 0.00 H new ATOM 0 HA LYS B 580 73.384 18.946 6.720 1.00 0.00 H new ATOM 0 HB2 LYS B 580 74.165 19.123 4.522 1.00 0.00 H new ATOM 0 HB3 LYS B 580 74.955 17.625 4.970 1.00 0.00 H new ATOM 0 HG2 LYS B 580 72.264 17.751 3.512 1.00 0.00 H new ATOM 0 HG3 LYS B 580 73.805 17.560 2.700 1.00 0.00 H new ATOM 0 HD2 LYS B 580 74.190 15.405 3.659 1.00 0.00 H new ATOM 0 HD3 LYS B 580 73.041 15.669 4.955 1.00 0.00 H new ATOM 0 HE2 LYS B 580 72.257 14.134 3.023 1.00 0.00 H new ATOM 0 HE3 LYS B 580 71.151 15.408 3.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 71.680 15.127 1.019 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 71.706 16.701 1.653 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 73.162 15.877 1.370 1.00 0.00 H new ATOM 2160 N GLN B 581 70.977 16.974 5.608 1.00 0.00 N ATOM 2161 CA GLN B 581 69.494 17.102 5.384 1.00 0.00 C ATOM 2162 C GLN B 581 68.700 15.797 5.543 1.00 0.00 C ATOM 2163 O GLN B 581 69.101 14.741 5.095 1.00 0.00 O ATOM 2164 CB GLN B 581 69.222 17.708 4.010 1.00 0.00 C ATOM 2165 CG GLN B 581 67.750 18.130 3.902 1.00 0.00 C ATOM 2166 CD GLN B 581 67.504 19.394 4.725 1.00 0.00 C ATOM 2167 OE1 GLN B 581 67.420 20.478 4.181 1.00 0.00 O ATOM 2168 NE2 GLN B 581 67.385 19.305 6.018 1.00 0.00 N ATOM 0 H GLN B 581 71.364 16.032 5.559 1.00 0.00 H new ATOM 0 HA GLN B 581 69.139 17.760 6.177 1.00 0.00 H new ATOM 0 HB2 GLN B 581 69.868 18.571 3.850 1.00 0.00 H new ATOM 0 HB3 GLN B 581 69.459 16.983 3.231 1.00 0.00 H new ATOM 0 HG2 GLN B 581 67.491 18.310 2.859 1.00 0.00 H new ATOM 0 HG3 GLN B 581 67.106 17.325 4.256 1.00 0.00 H new ATOM 0 HE21 GLN B 581 67.455 18.396 6.475 1.00 0.00 H new ATOM 0 HE22 GLN B 581 67.221 20.144 6.574 1.00 0.00 H new ATOM 2177 N LEU B 582 67.523 15.910 6.108 1.00 0.00 N ATOM 2178 CA LEU B 582 66.594 14.746 6.240 1.00 0.00 C ATOM 2179 C LEU B 582 65.164 15.234 5.967 1.00 0.00 C ATOM 2180 O LEU B 582 64.905 16.419 5.919 1.00 0.00 O ATOM 2181 CB LEU B 582 66.684 14.195 7.648 1.00 0.00 C ATOM 2182 CG LEU B 582 66.054 12.798 7.755 1.00 0.00 C ATOM 2183 CD1 LEU B 582 66.788 11.794 6.835 1.00 0.00 C ATOM 2184 CD2 LEU B 582 66.136 12.343 9.225 1.00 0.00 C ATOM 0 H LEU B 582 67.160 16.782 6.492 1.00 0.00 H new ATOM 0 HA LEU B 582 66.862 13.963 5.531 1.00 0.00 H new ATOM 0 HB2 LEU B 582 67.729 14.147 7.953 1.00 0.00 H new ATOM 0 HB3 LEU B 582 66.182 14.874 8.337 1.00 0.00 H new ATOM 0 HG LEU B 582 65.013 12.837 7.434 1.00 0.00 H new ATOM 0 HD11 LEU B 582 66.325 10.811 6.927 1.00 0.00 H new ATOM 0 HD12 LEU B 582 66.721 12.132 5.801 1.00 0.00 H new ATOM 0 HD13 LEU B 582 67.836 11.731 7.128 1.00 0.00 H new ATOM 0 HD21 LEU B 582 65.694 11.352 9.324 1.00 0.00 H new ATOM 0 HD22 LEU B 582 67.180 12.308 9.537 1.00 0.00 H new ATOM 0 HD23 LEU B 582 65.593 13.047 9.855 1.00 0.00 H new ATOM 2196 N ASN B 583 64.237 14.330 5.790 1.00 0.00 N ATOM 2197 CA ASN B 583 62.821 14.738 5.519 1.00 0.00 C ATOM 2198 C ASN B 583 61.873 13.660 6.057 1.00 0.00 C ATOM 2199 O ASN B 583 62.076 12.484 5.841 1.00 0.00 O ATOM 2200 CB ASN B 583 62.617 14.890 4.001 1.00 0.00 C ATOM 2201 CG ASN B 583 63.067 16.275 3.539 1.00 0.00 C ATOM 2202 OD1 ASN B 583 63.321 17.151 4.339 1.00 0.00 O ATOM 2203 ND2 ASN B 583 63.167 16.506 2.264 1.00 0.00 N ATOM 0 H ASN B 583 64.397 13.323 5.821 1.00 0.00 H new ATOM 0 HA ASN B 583 62.611 15.688 6.011 1.00 0.00 H new ATOM 0 HB2 ASN B 583 63.182 14.122 3.473 1.00 0.00 H new ATOM 0 HB3 ASN B 583 61.566 14.740 3.752 1.00 0.00 H new ATOM 0 HD21 ASN B 583 63.460 17.426 1.934 1.00 0.00 H new ATOM 0 HD22 ASN B 583 62.953 15.768 1.594 1.00 0.00 H new ATOM 2210 N LYS B 584 60.831 14.053 6.738 1.00 0.00 N ATOM 2211 CA LYS B 584 59.867 13.055 7.275 1.00 0.00 C ATOM 2212 C LYS B 584 59.412 12.137 6.147 1.00 0.00 C ATOM 2213 O LYS B 584 58.892 11.062 6.371 1.00 0.00 O ATOM 2214 CB LYS B 584 58.653 13.798 7.824 1.00 0.00 C ATOM 2215 CG LYS B 584 58.150 14.825 6.772 1.00 0.00 C ATOM 2216 CD LYS B 584 56.621 14.932 6.814 1.00 0.00 C ATOM 2217 CE LYS B 584 56.168 15.561 8.135 1.00 0.00 C ATOM 2218 NZ LYS B 584 56.330 17.040 8.061 1.00 0.00 N ATOM 0 H LYS B 584 60.607 15.026 6.945 1.00 0.00 H new ATOM 0 HA LYS B 584 60.340 12.466 8.061 1.00 0.00 H new ATOM 0 HB2 LYS B 584 57.859 13.091 8.065 1.00 0.00 H new ATOM 0 HB3 LYS B 584 58.915 14.310 8.750 1.00 0.00 H new ATOM 0 HG2 LYS B 584 58.594 15.801 6.967 1.00 0.00 H new ATOM 0 HG3 LYS B 584 58.472 14.521 5.776 1.00 0.00 H new ATOM 0 HD2 LYS B 584 56.269 15.535 5.977 1.00 0.00 H new ATOM 0 HD3 LYS B 584 56.177 13.943 6.703 1.00 0.00 H new ATOM 0 HE2 LYS B 584 55.126 15.308 8.333 1.00 0.00 H new ATOM 0 HE3 LYS B 584 56.756 15.161 8.961 1.00 0.00 H new ATOM 0 HZ1 LYS B 584 55.682 17.494 8.736 1.00 0.00 H new ATOM 0 HZ2 LYS B 584 57.310 17.294 8.298 1.00 0.00 H new ATOM 0 HZ3 LYS B 584 56.111 17.365 7.098 1.00 0.00 H new ATOM 2232 N GLY B 585 59.596 12.564 4.933 1.00 0.00 N ATOM 2233 CA GLY B 585 59.175 11.735 3.775 1.00 0.00 C ATOM 2234 C GLY B 585 60.308 10.794 3.411 1.00 0.00 C ATOM 2235 O GLY B 585 60.123 9.803 2.732 1.00 0.00 O ATOM 0 H GLY B 585 60.023 13.458 4.691 1.00 0.00 H new ATOM 0 HA2 GLY B 585 58.278 11.168 4.023 1.00 0.00 H new ATOM 0 HA3 GLY B 585 58.925 12.371 2.926 1.00 0.00 H new ATOM 2239 N THR B 586 61.485 11.105 3.866 1.00 0.00 N ATOM 2240 CA THR B 586 62.671 10.252 3.572 1.00 0.00 C ATOM 2241 C THR B 586 63.483 10.073 4.851 1.00 0.00 C ATOM 2242 O THR B 586 64.672 9.824 4.814 1.00 0.00 O ATOM 2243 CB THR B 586 63.530 10.933 2.501 1.00 0.00 C ATOM 2244 OG1 THR B 586 64.446 11.822 3.125 1.00 0.00 O ATOM 2245 CG2 THR B 586 62.623 11.718 1.550 1.00 0.00 C ATOM 0 H THR B 586 61.681 11.926 4.438 1.00 0.00 H new ATOM 0 HA THR B 586 62.349 9.277 3.207 1.00 0.00 H new ATOM 0 HB THR B 586 64.082 10.179 1.940 1.00 0.00 H new ATOM 0 HG1 THR B 586 65.075 11.310 3.676 1.00 0.00 H new ATOM 0 HG21 THR B 586 63.230 12.204 0.786 1.00 0.00 H new ATOM 0 HG22 THR B 586 61.918 11.036 1.074 1.00 0.00 H new ATOM 0 HG23 THR B 586 62.074 12.473 2.112 1.00 0.00 H new ATOM 2253 N PHE B 587 62.847 10.193 5.991 1.00 0.00 N ATOM 2254 CA PHE B 587 63.591 10.023 7.283 1.00 0.00 C ATOM 2255 C PHE B 587 63.534 8.562 7.732 1.00 0.00 C ATOM 2256 O PHE B 587 62.515 8.043 8.140 1.00 0.00 O ATOM 2257 CB PHE B 587 63.023 10.947 8.378 1.00 0.00 C ATOM 2258 CG PHE B 587 61.777 10.363 9.032 1.00 0.00 C ATOM 2259 CD1 PHE B 587 61.690 10.295 10.431 1.00 0.00 C ATOM 2260 CD2 PHE B 587 60.710 9.899 8.248 1.00 0.00 C ATOM 2261 CE1 PHE B 587 60.546 9.766 11.040 1.00 0.00 C ATOM 2262 CE2 PHE B 587 59.568 9.369 8.860 1.00 0.00 C ATOM 2263 CZ PHE B 587 59.485 9.304 10.255 1.00 0.00 C ATOM 0 H PHE B 587 61.853 10.400 6.085 1.00 0.00 H new ATOM 0 HA PHE B 587 64.631 10.303 7.118 1.00 0.00 H new ATOM 0 HB2 PHE B 587 63.785 11.118 9.139 1.00 0.00 H new ATOM 0 HB3 PHE B 587 62.783 11.918 7.944 1.00 0.00 H new ATOM 0 HD1 PHE B 587 62.508 10.652 11.039 1.00 0.00 H new ATOM 0 HD2 PHE B 587 60.770 9.951 7.171 1.00 0.00 H new ATOM 0 HE1 PHE B 587 60.483 9.715 12.117 1.00 0.00 H new ATOM 0 HE2 PHE B 587 58.749 9.010 8.254 1.00 0.00 H new ATOM 0 HZ PHE B 587 58.602 8.897 10.725 1.00 0.00 H new ATOM 2273 N LYS B 588 64.647 7.902 7.645 1.00 0.00 N ATOM 2274 CA LYS B 588 64.745 6.471 8.044 1.00 0.00 C ATOM 2275 C LYS B 588 65.493 6.415 9.384 1.00 0.00 C ATOM 2276 O LYS B 588 66.020 7.407 9.840 1.00 0.00 O ATOM 2277 CB LYS B 588 65.520 5.739 6.920 1.00 0.00 C ATOM 2278 CG LYS B 588 64.850 4.416 6.462 1.00 0.00 C ATOM 2279 CD LYS B 588 63.331 4.524 6.170 1.00 0.00 C ATOM 2280 CE LYS B 588 62.944 5.872 5.542 1.00 0.00 C ATOM 2281 NZ LYS B 588 61.774 5.672 4.642 1.00 0.00 N ATOM 0 H LYS B 588 65.520 8.304 7.304 1.00 0.00 H new ATOM 0 HA LYS B 588 63.773 5.994 8.172 1.00 0.00 H new ATOM 0 HB2 LYS B 588 65.614 6.405 6.062 1.00 0.00 H new ATOM 0 HB3 LYS B 588 66.530 5.523 7.268 1.00 0.00 H new ATOM 0 HG2 LYS B 588 65.354 4.062 5.563 1.00 0.00 H new ATOM 0 HG3 LYS B 588 65.005 3.661 7.233 1.00 0.00 H new ATOM 0 HD2 LYS B 588 63.035 3.717 5.500 1.00 0.00 H new ATOM 0 HD3 LYS B 588 62.776 4.387 7.098 1.00 0.00 H new ATOM 0 HE2 LYS B 588 62.700 6.594 6.321 1.00 0.00 H new ATOM 0 HE3 LYS B 588 63.784 6.281 4.981 1.00 0.00 H new ATOM 0 HZ1 LYS B 588 61.506 6.581 4.213 1.00 0.00 H new ATOM 0 HZ2 LYS B 588 62.024 4.996 3.892 1.00 0.00 H new ATOM 0 HZ3 LYS B 588 60.973 5.299 5.191 1.00 0.00 H new ATOM 2295 N GLU B 589 65.527 5.282 10.034 1.00 0.00 N ATOM 2296 CA GLU B 589 66.229 5.211 11.352 1.00 0.00 C ATOM 2297 C GLU B 589 66.741 3.799 11.612 1.00 0.00 C ATOM 2298 O GLU B 589 66.247 2.818 11.091 1.00 0.00 O ATOM 2299 CB GLU B 589 65.261 5.641 12.473 1.00 0.00 C ATOM 2300 CG GLU B 589 65.713 5.104 13.842 1.00 0.00 C ATOM 2301 CD GLU B 589 64.926 5.809 14.947 1.00 0.00 C ATOM 2302 OE1 GLU B 589 63.982 5.217 15.445 1.00 0.00 O ATOM 2303 OE2 GLU B 589 65.280 6.928 15.278 1.00 0.00 O ATOM 0 H GLU B 589 65.104 4.410 9.715 1.00 0.00 H new ATOM 0 HA GLU B 589 67.085 5.886 11.334 1.00 0.00 H new ATOM 0 HB2 GLU B 589 65.203 6.729 12.508 1.00 0.00 H new ATOM 0 HB3 GLU B 589 64.259 5.276 12.250 1.00 0.00 H new ATOM 0 HG2 GLU B 589 65.551 4.027 13.895 1.00 0.00 H new ATOM 0 HG3 GLU B 589 66.781 5.272 13.977 1.00 0.00 H new ATOM 2310 N GLN B 590 67.722 3.722 12.450 1.00 0.00 N ATOM 2311 CA GLN B 590 68.317 2.430 12.839 1.00 0.00 C ATOM 2312 C GLN B 590 68.986 2.656 14.191 1.00 0.00 C ATOM 2313 O GLN B 590 69.483 3.730 14.470 1.00 0.00 O ATOM 2314 CB GLN B 590 69.355 1.975 11.792 1.00 0.00 C ATOM 2315 CG GLN B 590 69.479 0.439 11.801 1.00 0.00 C ATOM 2316 CD GLN B 590 68.443 -0.181 10.858 1.00 0.00 C ATOM 2317 OE1 GLN B 590 67.262 0.076 10.980 1.00 0.00 O ATOM 2318 NE2 GLN B 590 68.843 -0.991 9.915 1.00 0.00 N ATOM 0 H GLN B 590 68.151 4.532 12.897 1.00 0.00 H new ATOM 0 HA GLN B 590 67.559 1.649 12.899 1.00 0.00 H new ATOM 0 HB2 GLN B 590 69.057 2.318 10.801 1.00 0.00 H new ATOM 0 HB3 GLN B 590 70.323 2.427 12.008 1.00 0.00 H new ATOM 0 HG2 GLN B 590 70.483 0.146 11.493 1.00 0.00 H new ATOM 0 HG3 GLN B 590 69.333 0.061 12.813 1.00 0.00 H new ATOM 0 HE21 GLN B 590 69.835 -1.206 9.814 1.00 0.00 H new ATOM 0 HE22 GLN B 590 68.163 -1.409 9.279 1.00 0.00 H new ATOM 2327 N ASN B 591 68.997 1.676 15.040 1.00 0.00 N ATOM 2328 CA ASN B 591 69.626 1.857 16.378 1.00 0.00 C ATOM 2329 C ASN B 591 69.128 3.174 17.010 1.00 0.00 C ATOM 2330 O ASN B 591 69.766 3.720 17.882 1.00 0.00 O ATOM 2331 CB ASN B 591 71.178 1.852 16.263 1.00 0.00 C ATOM 2332 CG ASN B 591 71.620 1.992 14.809 1.00 0.00 C ATOM 2333 OD1 ASN B 591 72.392 2.869 14.473 1.00 0.00 O ATOM 2334 ND2 ASN B 591 71.156 1.158 13.930 1.00 0.00 N ATOM 0 H ASN B 591 68.598 0.753 14.869 1.00 0.00 H new ATOM 0 HA ASN B 591 69.338 1.025 17.021 1.00 0.00 H new ATOM 0 HB2 ASN B 591 71.592 2.670 16.853 1.00 0.00 H new ATOM 0 HB3 ASN B 591 71.574 0.926 16.679 1.00 0.00 H new ATOM 0 HD21 ASN B 591 71.439 1.237 12.953 1.00 0.00 H new ATOM 0 HD22 ASN B 591 70.508 0.424 14.216 1.00 0.00 H new ATOM 2341 N ASP B 592 67.978 3.659 16.583 1.00 0.00 N ATOM 2342 CA ASP B 592 67.384 4.919 17.157 1.00 0.00 C ATOM 2343 C ASP B 592 68.007 6.164 16.523 1.00 0.00 C ATOM 2344 O ASP B 592 67.581 7.274 16.773 1.00 0.00 O ATOM 2345 CB ASP B 592 67.606 4.977 18.674 1.00 0.00 C ATOM 2346 CG ASP B 592 67.453 3.579 19.279 1.00 0.00 C ATOM 2347 OD1 ASP B 592 66.505 2.900 18.920 1.00 0.00 O ATOM 2348 OD2 ASP B 592 68.287 3.212 20.090 1.00 0.00 O ATOM 0 H ASP B 592 67.417 3.227 15.849 1.00 0.00 H new ATOM 0 HA ASP B 592 66.316 4.902 16.939 1.00 0.00 H new ATOM 0 HB2 ASP B 592 68.600 5.369 18.890 1.00 0.00 H new ATOM 0 HB3 ASP B 592 66.889 5.660 19.129 1.00 0.00 H new ATOM 2353 N LYS B 593 69.014 5.999 15.723 1.00 0.00 N ATOM 2354 CA LYS B 593 69.666 7.172 15.095 1.00 0.00 C ATOM 2355 C LYS B 593 68.978 7.493 13.754 1.00 0.00 C ATOM 2356 O LYS B 593 68.965 6.658 12.873 1.00 0.00 O ATOM 2357 CB LYS B 593 71.113 6.809 14.805 1.00 0.00 C ATOM 2358 CG LYS B 593 71.815 6.298 16.069 1.00 0.00 C ATOM 2359 CD LYS B 593 73.329 6.494 15.908 1.00 0.00 C ATOM 2360 CE LYS B 593 74.084 5.776 17.029 1.00 0.00 C ATOM 2361 NZ LYS B 593 73.942 6.547 18.297 1.00 0.00 N ATOM 0 H LYS B 593 69.417 5.095 15.475 1.00 0.00 H new ATOM 0 HA LYS B 593 69.597 8.032 15.761 1.00 0.00 H new ATOM 0 HB2 LYS B 593 71.151 6.044 14.029 1.00 0.00 H new ATOM 0 HB3 LYS B 593 71.640 7.681 14.419 1.00 0.00 H new ATOM 0 HG2 LYS B 593 71.456 6.838 16.945 1.00 0.00 H new ATOM 0 HG3 LYS B 593 71.586 5.244 16.228 1.00 0.00 H new ATOM 0 HD2 LYS B 593 73.651 6.109 14.940 1.00 0.00 H new ATOM 0 HD3 LYS B 593 73.568 7.557 15.924 1.00 0.00 H new ATOM 0 HE2 LYS B 593 73.692 4.767 17.158 1.00 0.00 H new ATOM 0 HE3 LYS B 593 75.137 5.677 16.767 1.00 0.00 H new ATOM 0 HZ1 LYS B 593 74.455 6.059 19.059 1.00 0.00 H new ATOM 0 HZ2 LYS B 593 74.336 7.501 18.169 1.00 0.00 H new ATOM 0 HZ3 LYS B 593 72.935 6.619 18.548 1.00 0.00 H new ATOM 2375 N PRO B 594 68.427 8.678 13.557 1.00 0.00 N ATOM 2376 CA PRO B 594 67.786 8.991 12.250 1.00 0.00 C ATOM 2377 C PRO B 594 68.705 8.644 11.071 1.00 0.00 C ATOM 2378 O PRO B 594 69.890 8.441 11.239 1.00 0.00 O ATOM 2379 CB PRO B 594 67.556 10.502 12.364 1.00 0.00 C ATOM 2380 CG PRO B 594 67.578 10.863 13.852 1.00 0.00 C ATOM 2381 CD PRO B 594 68.383 9.771 14.578 1.00 0.00 C ATOM 0 HA PRO B 594 66.876 8.422 12.060 1.00 0.00 H new ATOM 0 HB2 PRO B 594 68.330 11.049 11.826 1.00 0.00 H new ATOM 0 HB3 PRO B 594 66.601 10.779 11.917 1.00 0.00 H new ATOM 0 HG2 PRO B 594 68.035 11.841 14.003 1.00 0.00 H new ATOM 0 HG3 PRO B 594 66.564 10.920 14.248 1.00 0.00 H new ATOM 0 HD2 PRO B 594 69.381 10.114 14.850 1.00 0.00 H new ATOM 0 HD3 PRO B 594 67.895 9.449 15.498 1.00 0.00 H new ATOM 2389 N TYR B 595 68.167 8.568 9.885 1.00 0.00 N ATOM 2390 CA TYR B 595 69.015 8.220 8.704 1.00 0.00 C ATOM 2391 C TYR B 595 68.220 8.429 7.413 1.00 0.00 C ATOM 2392 O TYR B 595 67.076 8.040 7.321 1.00 0.00 O ATOM 2393 CB TYR B 595 69.380 6.722 8.741 1.00 0.00 C ATOM 2394 CG TYR B 595 70.493 6.413 9.721 1.00 0.00 C ATOM 2395 CD1 TYR B 595 70.278 5.496 10.759 1.00 0.00 C ATOM 2396 CD2 TYR B 595 71.752 7.002 9.566 1.00 0.00 C ATOM 2397 CE1 TYR B 595 71.316 5.176 11.637 1.00 0.00 C ATOM 2398 CE2 TYR B 595 72.789 6.682 10.454 1.00 0.00 C ATOM 2399 CZ TYR B 595 72.569 5.769 11.487 1.00 0.00 C ATOM 2400 OH TYR B 595 73.592 5.451 12.356 1.00 0.00 O ATOM 0 H TYR B 595 67.181 8.731 9.680 1.00 0.00 H new ATOM 0 HA TYR B 595 69.904 8.850 8.735 1.00 0.00 H new ATOM 0 HB2 TYR B 595 68.496 6.144 9.009 1.00 0.00 H new ATOM 0 HB3 TYR B 595 69.681 6.401 7.744 1.00 0.00 H new ATOM 0 HD1 TYR B 595 69.308 5.036 10.880 1.00 0.00 H new ATOM 0 HD2 TYR B 595 71.925 7.703 8.763 1.00 0.00 H new ATOM 0 HE1 TYR B 595 71.148 4.467 12.434 1.00 0.00 H new ATOM 0 HE2 TYR B 595 73.759 7.142 10.339 1.00 0.00 H new ATOM 0 HH TYR B 595 74.398 5.952 12.110 1.00 0.00 H new ATOM 2410 N CYS B 596 68.830 8.950 6.387 1.00 0.00 N ATOM 2411 CA CYS B 596 68.087 9.057 5.102 1.00 0.00 C ATOM 2412 C CYS B 596 67.926 7.631 4.603 1.00 0.00 C ATOM 2413 O CYS B 596 68.732 6.777 4.911 1.00 0.00 O ATOM 2414 CB CYS B 596 68.877 9.864 4.051 1.00 0.00 C ATOM 2415 SG CYS B 596 69.710 11.275 4.813 1.00 0.00 S ATOM 0 H CYS B 596 69.788 9.299 6.379 1.00 0.00 H new ATOM 0 HA CYS B 596 67.137 9.568 5.255 1.00 0.00 H new ATOM 0 HB2 CYS B 596 69.612 9.219 3.569 1.00 0.00 H new ATOM 0 HB3 CYS B 596 68.200 10.214 3.271 1.00 0.00 H new ATOM 0 HG CYS B 596 70.519 10.853 5.739 1.00 0.00 H new ATOM 2420 N GLN B 597 66.936 7.340 3.822 1.00 0.00 N ATOM 2421 CA GLN B 597 66.832 5.953 3.327 1.00 0.00 C ATOM 2422 C GLN B 597 68.130 5.687 2.567 1.00 0.00 C ATOM 2423 O GLN B 597 68.883 4.792 2.889 1.00 0.00 O ATOM 2424 CB GLN B 597 65.576 5.829 2.432 1.00 0.00 C ATOM 2425 CG GLN B 597 65.728 4.737 1.353 1.00 0.00 C ATOM 2426 CD GLN B 597 65.333 3.382 1.933 1.00 0.00 C ATOM 2427 OE1 GLN B 597 64.954 2.481 1.212 1.00 0.00 O ATOM 2428 NE2 GLN B 597 65.410 3.206 3.215 1.00 0.00 N ATOM 0 H GLN B 597 66.210 7.985 3.511 1.00 0.00 H new ATOM 0 HA GLN B 597 66.716 5.217 4.123 1.00 0.00 H new ATOM 0 HB2 GLN B 597 64.710 5.603 3.055 1.00 0.00 H new ATOM 0 HB3 GLN B 597 65.380 6.787 1.950 1.00 0.00 H new ATOM 0 HG2 GLN B 597 65.101 4.972 0.493 1.00 0.00 H new ATOM 0 HG3 GLN B 597 66.758 4.705 0.997 1.00 0.00 H new ATOM 0 HE21 GLN B 597 65.729 3.966 3.816 1.00 0.00 H new ATOM 0 HE22 GLN B 597 65.152 2.307 3.623 1.00 0.00 H new ATOM 2437 N ASN B 598 68.405 6.491 1.577 1.00 0.00 N ATOM 2438 CA ASN B 598 69.658 6.327 0.795 1.00 0.00 C ATOM 2439 C ASN B 598 70.821 6.122 1.763 1.00 0.00 C ATOM 2440 O ASN B 598 71.783 5.453 1.459 1.00 0.00 O ATOM 2441 CB ASN B 598 69.893 7.585 -0.057 1.00 0.00 C ATOM 2442 CG ASN B 598 68.554 8.179 -0.469 1.00 0.00 C ATOM 2443 OD1 ASN B 598 68.273 9.332 -0.207 1.00 0.00 O ATOM 2444 ND2 ASN B 598 67.713 7.430 -1.109 1.00 0.00 N ATOM 0 H ASN B 598 67.808 7.261 1.275 1.00 0.00 H new ATOM 0 HA ASN B 598 69.580 5.463 0.136 1.00 0.00 H new ATOM 0 HB2 ASN B 598 70.469 8.318 0.509 1.00 0.00 H new ATOM 0 HB3 ASN B 598 70.478 7.334 -0.941 1.00 0.00 H new ATOM 0 HD21 ASN B 598 66.810 7.807 -1.396 1.00 0.00 H new ATOM 0 HD22 ASN B 598 67.954 6.463 -1.326 1.00 0.00 H new ATOM 2451 N CYS B 599 70.727 6.680 2.938 1.00 0.00 N ATOM 2452 CA CYS B 599 71.815 6.494 3.929 1.00 0.00 C ATOM 2453 C CYS B 599 71.603 5.151 4.630 1.00 0.00 C ATOM 2454 O CYS B 599 72.359 4.228 4.455 1.00 0.00 O ATOM 2455 CB CYS B 599 71.759 7.626 4.970 1.00 0.00 C ATOM 2456 SG CYS B 599 72.691 9.055 4.375 1.00 0.00 S ATOM 0 H CYS B 599 69.945 7.255 3.251 1.00 0.00 H new ATOM 0 HA CYS B 599 72.784 6.512 3.431 1.00 0.00 H new ATOM 0 HB2 CYS B 599 70.723 7.909 5.157 1.00 0.00 H new ATOM 0 HB3 CYS B 599 72.172 7.281 5.918 1.00 0.00 H new ATOM 0 HG CYS B 599 71.925 10.106 4.381 1.00 0.00 H new ATOM 2461 N PHE B 600 70.555 5.054 5.404 1.00 0.00 N ATOM 2462 CA PHE B 600 70.235 3.799 6.146 1.00 0.00 C ATOM 2463 C PHE B 600 70.362 2.590 5.219 1.00 0.00 C ATOM 2464 O PHE B 600 71.114 1.670 5.474 1.00 0.00 O ATOM 2465 CB PHE B 600 68.790 3.944 6.689 1.00 0.00 C ATOM 2466 CG PHE B 600 67.994 2.654 6.595 1.00 0.00 C ATOM 2467 CD1 PHE B 600 67.952 1.772 7.677 1.00 0.00 C ATOM 2468 CD2 PHE B 600 67.289 2.357 5.425 1.00 0.00 C ATOM 2469 CE1 PHE B 600 67.207 0.590 7.589 1.00 0.00 C ATOM 2470 CE2 PHE B 600 66.545 1.176 5.334 1.00 0.00 C ATOM 2471 CZ PHE B 600 66.504 0.291 6.416 1.00 0.00 C ATOM 0 H PHE B 600 69.890 5.812 5.557 1.00 0.00 H new ATOM 0 HA PHE B 600 70.930 3.642 6.971 1.00 0.00 H new ATOM 0 HB2 PHE B 600 68.828 4.267 7.729 1.00 0.00 H new ATOM 0 HB3 PHE B 600 68.274 4.726 6.131 1.00 0.00 H new ATOM 0 HD1 PHE B 600 68.495 2.002 8.582 1.00 0.00 H new ATOM 0 HD2 PHE B 600 67.319 3.041 4.590 1.00 0.00 H new ATOM 0 HE1 PHE B 600 67.175 -0.091 8.426 1.00 0.00 H new ATOM 0 HE2 PHE B 600 66.002 0.948 4.429 1.00 0.00 H new ATOM 0 HZ PHE B 600 65.931 -0.622 6.347 1.00 0.00 H new ATOM 2481 N LEU B 601 69.611 2.578 4.166 1.00 0.00 N ATOM 2482 CA LEU B 601 69.651 1.429 3.235 1.00 0.00 C ATOM 2483 C LEU B 601 71.105 1.126 2.862 1.00 0.00 C ATOM 2484 O LEU B 601 71.509 -0.012 2.803 1.00 0.00 O ATOM 2485 CB LEU B 601 68.764 1.775 2.004 1.00 0.00 C ATOM 2486 CG LEU B 601 69.571 1.921 0.695 1.00 0.00 C ATOM 2487 CD1 LEU B 601 70.148 0.553 0.246 1.00 0.00 C ATOM 2488 CD2 LEU B 601 68.636 2.475 -0.387 1.00 0.00 C ATOM 0 H LEU B 601 68.964 3.322 3.906 1.00 0.00 H new ATOM 0 HA LEU B 601 69.253 0.524 3.693 1.00 0.00 H new ATOM 0 HB2 LEU B 601 68.013 0.996 1.875 1.00 0.00 H new ATOM 0 HB3 LEU B 601 68.229 2.704 2.199 1.00 0.00 H new ATOM 0 HG LEU B 601 70.409 2.599 0.858 1.00 0.00 H new ATOM 0 HD11 LEU B 601 70.712 0.682 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU B 601 70.807 0.164 1.022 1.00 0.00 H new ATOM 0 HD13 LEU B 601 69.331 -0.149 0.078 1.00 0.00 H new ATOM 0 HD21 LEU B 601 69.186 2.586 -1.321 1.00 0.00 H new ATOM 0 HD22 LEU B 601 67.804 1.787 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU B 601 68.252 3.446 -0.074 1.00 0.00 H new ATOM 2500 N LYS B 602 71.887 2.130 2.600 1.00 0.00 N ATOM 2501 CA LYS B 602 73.305 1.884 2.211 1.00 0.00 C ATOM 2502 C LYS B 602 74.083 1.196 3.348 1.00 0.00 C ATOM 2503 O LYS B 602 75.091 0.562 3.113 1.00 0.00 O ATOM 2504 CB LYS B 602 73.969 3.224 1.871 1.00 0.00 C ATOM 2505 CG LYS B 602 75.332 3.003 1.197 1.00 0.00 C ATOM 2506 CD LYS B 602 75.166 2.747 -0.307 1.00 0.00 C ATOM 2507 CE LYS B 602 76.551 2.719 -0.973 1.00 0.00 C ATOM 2508 NZ LYS B 602 77.556 2.173 -0.017 1.00 0.00 N ATOM 0 H LYS B 602 71.610 3.111 2.637 1.00 0.00 H new ATOM 0 HA LYS B 602 73.319 1.224 1.344 1.00 0.00 H new ATOM 0 HB2 LYS B 602 73.320 3.799 1.210 1.00 0.00 H new ATOM 0 HB3 LYS B 602 74.099 3.811 2.780 1.00 0.00 H new ATOM 0 HG2 LYS B 602 75.965 3.877 1.353 1.00 0.00 H new ATOM 0 HG3 LYS B 602 75.838 2.156 1.660 1.00 0.00 H new ATOM 0 HD2 LYS B 602 74.651 1.800 -0.472 1.00 0.00 H new ATOM 0 HD3 LYS B 602 74.550 3.527 -0.755 1.00 0.00 H new ATOM 0 HE2 LYS B 602 76.520 2.105 -1.873 1.00 0.00 H new ATOM 0 HE3 LYS B 602 76.837 3.724 -1.282 1.00 0.00 H new ATOM 0 HZ1 LYS B 602 78.422 1.917 -0.533 1.00 0.00 H new ATOM 0 HZ2 LYS B 602 77.780 2.892 0.700 1.00 0.00 H new ATOM 0 HZ3 LYS B 602 77.168 1.328 0.449 1.00 0.00 H new ATOM 2522 N LEU B 603 73.647 1.314 4.579 1.00 0.00 N ATOM 2523 CA LEU B 603 74.408 0.665 5.704 1.00 0.00 C ATOM 2524 C LEU B 603 73.847 -0.734 5.987 1.00 0.00 C ATOM 2525 O LEU B 603 74.588 -1.677 6.180 1.00 0.00 O ATOM 2526 CB LEU B 603 74.328 1.537 6.984 1.00 0.00 C ATOM 2527 CG LEU B 603 73.943 2.979 6.631 1.00 0.00 C ATOM 2528 CD1 LEU B 603 73.832 3.814 7.912 1.00 0.00 C ATOM 2529 CD2 LEU B 603 74.999 3.618 5.705 1.00 0.00 C ATOM 0 H LEU B 603 72.808 1.824 4.856 1.00 0.00 H new ATOM 0 HA LEU B 603 75.453 0.573 5.407 1.00 0.00 H new ATOM 0 HB2 LEU B 603 73.594 1.117 7.672 1.00 0.00 H new ATOM 0 HB3 LEU B 603 75.289 1.527 7.498 1.00 0.00 H new ATOM 0 HG LEU B 603 72.984 2.958 6.114 1.00 0.00 H new ATOM 0 HD11 LEU B 603 73.558 4.838 7.656 1.00 0.00 H new ATOM 0 HD12 LEU B 603 73.068 3.385 8.561 1.00 0.00 H new ATOM 0 HD13 LEU B 603 74.791 3.813 8.431 1.00 0.00 H new ATOM 0 HD21 LEU B 603 74.704 4.640 5.468 1.00 0.00 H new ATOM 0 HD22 LEU B 603 75.966 3.626 6.207 1.00 0.00 H new ATOM 0 HD23 LEU B 603 75.073 3.039 4.784 1.00 0.00 H new ATOM 2541 N PHE B 604 72.545 -0.865 6.036 1.00 0.00 N ATOM 2542 CA PHE B 604 71.913 -2.194 6.334 1.00 0.00 C ATOM 2543 C PHE B 604 71.018 -2.620 5.161 1.00 0.00 C ATOM 2544 O PHE B 604 69.999 -3.252 5.357 1.00 0.00 O ATOM 2545 CB PHE B 604 71.079 -2.082 7.630 1.00 0.00 C ATOM 2546 CG PHE B 604 71.619 -0.959 8.491 1.00 0.00 C ATOM 2547 CD1 PHE B 604 72.711 -1.178 9.342 1.00 0.00 C ATOM 2548 CD2 PHE B 604 71.021 0.304 8.436 1.00 0.00 C ATOM 2549 CE1 PHE B 604 73.200 -0.134 10.136 1.00 0.00 C ATOM 2550 CE2 PHE B 604 71.510 1.348 9.229 1.00 0.00 C ATOM 2551 CZ PHE B 604 72.599 1.129 10.079 1.00 0.00 C ATOM 0 H PHE B 604 71.884 -0.103 5.881 1.00 0.00 H new ATOM 0 HA PHE B 604 72.689 -2.947 6.471 1.00 0.00 H new ATOM 0 HB2 PHE B 604 70.033 -1.895 7.386 1.00 0.00 H new ATOM 0 HB3 PHE B 604 71.115 -3.023 8.179 1.00 0.00 H new ATOM 0 HD1 PHE B 604 73.175 -2.152 9.385 1.00 0.00 H new ATOM 0 HD2 PHE B 604 70.180 0.474 7.780 1.00 0.00 H new ATOM 0 HE1 PHE B 604 74.041 -0.303 10.792 1.00 0.00 H new ATOM 0 HE2 PHE B 604 71.047 2.323 9.185 1.00 0.00 H new ATOM 0 HZ PHE B 604 72.976 1.935 10.692 1.00 0.00 H new ATOM 2561 N CYS B 605 71.382 -2.262 3.949 1.00 0.00 N ATOM 2562 CA CYS B 605 70.549 -2.629 2.753 1.00 0.00 C ATOM 2563 C CYS B 605 69.946 -4.032 2.925 1.00 0.00 C ATOM 2564 O CYS B 605 68.859 -4.255 2.418 1.00 0.00 O ATOM 2565 CB CYS B 605 71.421 -2.579 1.477 1.00 0.00 C ATOM 2566 SG CYS B 605 72.207 -4.187 1.168 1.00 0.00 S ATOM 2567 OXT CYS B 605 70.583 -4.855 3.562 1.00 0.00 O ATOM 0 H CYS B 605 72.225 -1.729 3.735 1.00 0.00 H new ATOM 0 HA CYS B 605 69.732 -1.913 2.660 1.00 0.00 H new ATOM 0 HB2 CYS B 605 70.806 -2.300 0.622 1.00 0.00 H new ATOM 0 HB3 CYS B 605 72.186 -1.810 1.584 1.00 0.00 H new ATOM 0 HG CYS B 605 72.827 -4.155 0.026 1.00 0.00 H new