USER MOD reduce.3.24.130724 H: found=0, std=0, add=1131, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1119 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 MET CE :methyl 166:sc= -1.03 (180deg=-2.02) USER MOD Set 1.2: B 602 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: B 575 CYS SG : rot -125:sc= -1.92 USER MOD Set 2.2: B 578 CYS SG : rot -84:sc= 0.931 USER MOD Set 2.3: B 596 CYS SG : rot 180:sc= -3.54! USER MOD Set 2.4: B 599 CYS SG : rot 126:sc= 0.207 USER MOD Set 3.1: B 562 THR OG1 : rot 174:sc= 0.418 USER MOD Set 3.2: B 567 LYS NZ :NH3+ 139:sc= 0.449 (180deg=0) USER MOD Set 3.3: B 584 LYS NZ :NH3+ -153:sc= 0 (180deg=-1.01) USER MOD Set 4.1: B 549 CYS SG : rot -170:sc= -0.0817 USER MOD Set 4.2: B 552 CYS SG : rot 111:sc= -0.35 USER MOD Set 4.3: B 569 HIS : no HD1:sc= -0.0928 K(o=-1.2,f=-8.7!) USER MOD Set 4.4: B 572 HIS : no HD1:sc= -0.629 K(o=-1.2,f=-4) USER MOD Single : A 17 THR OG1 : rot 30:sc= -0.302 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -4.63! C(o=-4.6!,f=-5.1!) USER MOD Single : A 25 THR OG1 : rot 140:sc= -0.532 USER MOD Single : A 28 ASN : amide:sc= -2.99! K(o=-3!,f=-1.4) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -160:sc= -2.08 USER MOD Single : A 40 HIS : no HD1:sc= -0.434 X(o=-0.43,f=-0.24) USER MOD Single : A 47 LYS NZ :NH3+ -159:sc= -0.0338 (180deg=-0.392) USER MOD Single : A 51 LYS NZ :NH3+ -116:sc= -4.98! (180deg=-10.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -138:sc= -6.2! (180deg=-9.66!) USER MOD Single : A 59 SER OG : rot 1:sc= 0.273 USER MOD Single : A 61 HIS : no HE2:sc= -2.44! C(o=-2.4!,f=-5.2!) 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= 0.146 USER MOD Single : A 74 LYS NZ :NH3+ 150:sc= -0.0701 (180deg=-0.783) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 76 HIS : no HD1:sc= -0.0702 X(o=-0.07,f=-0.07) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -2.67! K(o=-2.7!,f=-1.4) USER MOD Single : A 89 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.21) USER MOD Single : A 91 GLN : amide:sc= -10.6! C(o=-11!,f=-14!) 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 180:sc= 0 USER MOD Single : B 553 GLN : amide:sc= -3.28! K(o=-3.3!,f=-1.1) USER MOD Single : B 554 LYS NZ :NH3+ 161:sc= -0.013 (180deg=-0.195) USER MOD Single : B 557 THR OG1 : rot 67:sc= 0.975 USER MOD Single : B 560 CYS SG : rot 32:sc= 0.403 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+ 158:sc= -0.0215 (180deg=-0.513) USER MOD Single : B 581 GLN : amide:sc= -3.07! K(o=-3.1!,f=-1.4) USER MOD Single : B 583 ASN : amide:sc= -2.11! C(o=-2.1!,f=-4.3!) USER MOD Single : B 586 THR OG1 : rot 62:sc= 0.475 USER MOD Single : B 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 590 GLN : amide:sc= -6.54! C(o=-6.5!,f=-4.4!) USER MOD Single : B 591 ASN : amide:sc= -12.1! C(o=-12!,f=-7.9!) USER MOD Single : B 593 LYS NZ :NH3+ -159:sc= -0.0766 (180deg=-0.512) USER MOD Single : B 595 TYR OH : rot 123:sc= -2.1! USER MOD Single : B 597 GLN : amide:sc= -4.47! K(o=-4.5!,f=-0.035) USER MOD Single : B 598 ASN : amide:sc= -0.612 X(o=-0.61,f=-0.58) USER MOD Single : B 605 CYS SG : rot -37:sc= -4.82! USER MOD ----------------------------------------------------------------- ATOM 213 N GLY A 16 87.891 -13.586 15.374 1.00 0.00 N ATOM 214 CA GLY A 16 87.757 -13.353 13.909 1.00 0.00 C ATOM 215 C GLY A 16 87.601 -11.859 13.662 1.00 0.00 C ATOM 216 O GLY A 16 87.090 -11.435 12.645 1.00 0.00 O ATOM 0 HA2 GLY A 16 88.634 -13.733 13.385 1.00 0.00 H new ATOM 0 HA3 GLY A 16 86.894 -13.892 13.518 1.00 0.00 H new ATOM 220 N THR A 17 88.032 -11.054 14.595 1.00 0.00 N ATOM 221 CA THR A 17 87.906 -9.583 14.438 1.00 0.00 C ATOM 222 C THR A 17 89.202 -9.011 13.883 1.00 0.00 C ATOM 223 O THR A 17 90.261 -9.156 14.462 1.00 0.00 O ATOM 224 CB THR A 17 87.641 -8.954 15.802 1.00 0.00 C ATOM 225 OG1 THR A 17 88.634 -9.384 16.723 1.00 0.00 O ATOM 226 CG2 THR A 17 86.264 -9.371 16.302 1.00 0.00 C ATOM 0 H THR A 17 88.469 -11.358 15.465 1.00 0.00 H new ATOM 0 HA THR A 17 87.085 -9.365 13.755 1.00 0.00 H new ATOM 0 HB THR A 17 87.676 -7.868 15.712 1.00 0.00 H new ATOM 0 HG1 THR A 17 89.472 -9.556 16.244 1.00 0.00 H new ATOM 0 HG21 THR A 17 86.079 -8.920 17.277 1.00 0.00 H new ATOM 0 HG22 THR A 17 85.504 -9.036 15.596 1.00 0.00 H new ATOM 0 HG23 THR A 17 86.223 -10.457 16.391 1.00 0.00 H new ATOM 234 N TRP A 18 89.113 -8.346 12.772 1.00 0.00 N ATOM 235 CA TRP A 18 90.313 -7.722 12.144 1.00 0.00 C ATOM 236 C TRP A 18 89.959 -6.276 11.796 1.00 0.00 C ATOM 237 O TRP A 18 89.033 -6.014 11.054 1.00 0.00 O ATOM 238 CB TRP A 18 90.706 -8.502 10.872 1.00 0.00 C ATOM 239 CG TRP A 18 89.549 -9.316 10.379 1.00 0.00 C ATOM 240 CD1 TRP A 18 88.404 -8.812 9.864 1.00 0.00 C ATOM 241 CD2 TRP A 18 89.408 -10.766 10.346 1.00 0.00 C ATOM 242 NE1 TRP A 18 87.570 -9.861 9.521 1.00 0.00 N ATOM 243 CE2 TRP A 18 88.144 -11.085 9.799 1.00 0.00 C ATOM 244 CE3 TRP A 18 90.247 -11.825 10.737 1.00 0.00 C ATOM 245 CZ2 TRP A 18 87.726 -12.407 9.643 1.00 0.00 C ATOM 246 CZ3 TRP A 18 89.830 -13.157 10.582 1.00 0.00 C ATOM 247 CH2 TRP A 18 88.572 -13.447 10.036 1.00 0.00 C ATOM 0 H TRP A 18 88.243 -8.203 12.259 1.00 0.00 H new ATOM 0 HA TRP A 18 91.161 -7.746 12.828 1.00 0.00 H new ATOM 0 HB2 TRP A 18 91.026 -7.807 10.096 1.00 0.00 H new ATOM 0 HB3 TRP A 18 91.553 -9.154 11.085 1.00 0.00 H new ATOM 0 HD1 TRP A 18 88.178 -7.763 9.741 1.00 0.00 H new ATOM 0 HE1 TRP A 18 86.643 -9.744 9.112 1.00 0.00 H new ATOM 0 HE3 TRP A 18 91.218 -11.612 11.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 86.756 -12.625 9.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 90.482 -13.963 10.885 1.00 0.00 H new ATOM 0 HH2 TRP A 18 88.257 -14.473 9.919 1.00 0.00 H new ATOM 258 N GLU A 19 90.680 -5.334 12.332 1.00 0.00 N ATOM 259 CA GLU A 19 90.367 -3.908 12.032 1.00 0.00 C ATOM 260 C GLU A 19 90.893 -3.560 10.643 1.00 0.00 C ATOM 261 O GLU A 19 92.041 -3.795 10.322 1.00 0.00 O ATOM 262 CB GLU A 19 90.989 -2.964 13.096 1.00 0.00 C ATOM 263 CG GLU A 19 91.982 -3.728 13.967 1.00 0.00 C ATOM 264 CD GLU A 19 93.068 -4.350 13.087 1.00 0.00 C ATOM 265 OE1 GLU A 19 93.411 -5.497 13.323 1.00 0.00 O ATOM 266 OE2 GLU A 19 93.539 -3.669 12.191 1.00 0.00 O ATOM 0 H GLU A 19 91.468 -5.486 12.961 1.00 0.00 H new ATOM 0 HA GLU A 19 89.286 -3.772 12.059 1.00 0.00 H new ATOM 0 HB2 GLU A 19 91.492 -2.132 12.604 1.00 0.00 H new ATOM 0 HB3 GLU A 19 90.202 -2.538 13.718 1.00 0.00 H new ATOM 0 HG2 GLU A 19 92.433 -3.055 14.697 1.00 0.00 H new ATOM 0 HG3 GLU A 19 91.465 -4.506 14.528 1.00 0.00 H new ATOM 273 N LEU A 20 90.061 -2.985 9.821 1.00 0.00 N ATOM 274 CA LEU A 20 90.512 -2.602 8.458 1.00 0.00 C ATOM 275 C LEU A 20 91.198 -1.244 8.570 1.00 0.00 C ATOM 276 O LEU A 20 90.706 -0.349 9.219 1.00 0.00 O ATOM 277 CB LEU A 20 89.286 -2.522 7.515 1.00 0.00 C ATOM 278 CG LEU A 20 89.490 -3.392 6.255 1.00 0.00 C ATOM 279 CD1 LEU A 20 90.803 -3.017 5.539 1.00 0.00 C ATOM 280 CD2 LEU A 20 89.501 -4.887 6.637 1.00 0.00 C ATOM 0 H LEU A 20 89.089 -2.764 10.035 1.00 0.00 H new ATOM 0 HA LEU A 20 91.205 -3.337 8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 20 88.393 -2.852 8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 20 89.118 -1.486 7.221 1.00 0.00 H new ATOM 0 HG LEU A 20 88.661 -3.207 5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 20 90.926 -3.642 4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 20 90.768 -1.969 5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 20 91.644 -3.174 6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 20 89.645 -5.490 5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 20 90.314 -5.078 7.338 1.00 0.00 H new ATOM 0 HD23 LEU A 20 88.551 -5.151 7.103 1.00 0.00 H new ATOM 292 N SER A 21 92.330 -1.087 7.956 1.00 0.00 N ATOM 293 CA SER A 21 93.046 0.212 8.052 1.00 0.00 C ATOM 294 C SER A 21 92.401 1.226 7.119 1.00 0.00 C ATOM 295 O SER A 21 91.922 0.890 6.054 1.00 0.00 O ATOM 296 CB SER A 21 94.510 0.017 7.658 1.00 0.00 C ATOM 297 OG SER A 21 95.309 0.984 8.328 1.00 0.00 O ATOM 0 H SER A 21 92.792 -1.800 7.392 1.00 0.00 H new ATOM 0 HA SER A 21 92.989 0.579 9.077 1.00 0.00 H new ATOM 0 HB2 SER A 21 94.839 -0.988 7.921 1.00 0.00 H new ATOM 0 HB3 SER A 21 94.625 0.118 6.579 1.00 0.00 H new ATOM 0 HG SER A 21 96.249 0.861 8.079 1.00 0.00 H new ATOM 303 N VAL A 22 92.396 2.471 7.513 1.00 0.00 N ATOM 304 CA VAL A 22 91.792 3.528 6.650 1.00 0.00 C ATOM 305 C VAL A 22 92.670 4.780 6.662 1.00 0.00 C ATOM 306 O VAL A 22 92.685 5.542 7.608 1.00 0.00 O ATOM 307 CB VAL A 22 90.373 3.858 7.141 1.00 0.00 C ATOM 308 CG1 VAL A 22 89.891 5.185 6.542 1.00 0.00 C ATOM 309 CG2 VAL A 22 89.426 2.755 6.680 1.00 0.00 C ATOM 0 H VAL A 22 92.784 2.802 8.396 1.00 0.00 H new ATOM 0 HA VAL A 22 91.729 3.160 5.626 1.00 0.00 H new ATOM 0 HB VAL A 22 90.386 3.936 8.228 1.00 0.00 H new ATOM 0 HG11 VAL A 22 88.885 5.402 6.901 1.00 0.00 H new ATOM 0 HG12 VAL A 22 90.565 5.987 6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 22 89.880 5.111 5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 22 88.415 2.977 7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 22 89.437 2.698 5.592 1.00 0.00 H new ATOM 0 HG23 VAL A 22 89.749 1.801 7.097 1.00 0.00 H new ATOM 319 N HIS A 23 93.376 5.001 5.592 1.00 0.00 N ATOM 320 CA HIS A 23 94.236 6.206 5.486 1.00 0.00 C ATOM 321 C HIS A 23 93.336 7.383 5.124 1.00 0.00 C ATOM 322 O HIS A 23 92.881 7.507 4.004 1.00 0.00 O ATOM 323 CB HIS A 23 95.264 5.970 4.377 1.00 0.00 C ATOM 324 CG HIS A 23 96.443 5.206 4.922 1.00 0.00 C ATOM 325 ND1 HIS A 23 96.291 4.089 5.729 1.00 0.00 N ATOM 326 CD2 HIS A 23 97.797 5.388 4.784 1.00 0.00 C ATOM 327 CE1 HIS A 23 97.523 3.646 6.042 1.00 0.00 C ATOM 328 NE2 HIS A 23 98.477 4.401 5.492 1.00 0.00 N ATOM 0 H HIS A 23 93.393 4.389 4.776 1.00 0.00 H new ATOM 0 HA HIS A 23 94.758 6.410 6.421 1.00 0.00 H new ATOM 0 HB2 HIS A 23 94.807 5.414 3.558 1.00 0.00 H new ATOM 0 HB3 HIS A 23 95.596 6.924 3.968 1.00 0.00 H new ATOM 0 HD2 HIS A 23 98.264 6.177 4.213 1.00 0.00 H new ATOM 0 HE1 HIS A 23 97.716 2.784 6.663 1.00 0.00 H new ATOM 0 HE2 HIS A 23 99.487 4.281 5.573 1.00 0.00 H new ATOM 336 N VAL A 24 93.054 8.235 6.065 1.00 0.00 N ATOM 337 CA VAL A 24 92.161 9.380 5.769 1.00 0.00 C ATOM 338 C VAL A 24 92.883 10.385 4.870 1.00 0.00 C ATOM 339 O VAL A 24 93.644 11.208 5.328 1.00 0.00 O ATOM 340 CB VAL A 24 91.743 10.044 7.089 1.00 0.00 C ATOM 341 CG1 VAL A 24 90.411 10.780 6.911 1.00 0.00 C ATOM 342 CG2 VAL A 24 91.577 8.966 8.166 1.00 0.00 C ATOM 0 H VAL A 24 93.403 8.187 7.022 1.00 0.00 H new ATOM 0 HA VAL A 24 91.271 9.029 5.246 1.00 0.00 H new ATOM 0 HB VAL A 24 92.511 10.758 7.386 1.00 0.00 H new ATOM 0 HG11 VAL A 24 90.125 11.247 7.853 1.00 0.00 H new ATOM 0 HG12 VAL A 24 90.519 11.547 6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 24 89.641 10.070 6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 24 91.280 9.433 9.105 1.00 0.00 H new ATOM 0 HG22 VAL A 24 90.810 8.256 7.855 1.00 0.00 H new ATOM 0 HG23 VAL A 24 92.522 8.441 8.304 1.00 0.00 H new ATOM 352 N THR A 25 92.635 10.325 3.591 1.00 0.00 N ATOM 353 CA THR A 25 93.286 11.277 2.653 1.00 0.00 C ATOM 354 C THR A 25 92.690 12.661 2.896 1.00 0.00 C ATOM 355 O THR A 25 91.669 12.790 3.538 1.00 0.00 O ATOM 356 CB THR A 25 93.025 10.840 1.203 1.00 0.00 C ATOM 357 OG1 THR A 25 91.843 11.467 0.729 1.00 0.00 O ATOM 358 CG2 THR A 25 92.857 9.317 1.139 1.00 0.00 C ATOM 0 H THR A 25 92.005 9.652 3.154 1.00 0.00 H new ATOM 0 HA THR A 25 94.363 11.296 2.819 1.00 0.00 H new ATOM 0 HB THR A 25 93.871 11.132 0.581 1.00 0.00 H new ATOM 0 HG1 THR A 25 91.972 11.749 -0.201 1.00 0.00 H new ATOM 0 HG21 THR A 25 92.672 9.014 0.108 1.00 0.00 H new ATOM 0 HG22 THR A 25 93.765 8.835 1.501 1.00 0.00 H new ATOM 0 HG23 THR A 25 92.014 9.017 1.762 1.00 0.00 H new ATOM 366 N ASP A 26 93.323 13.695 2.413 1.00 0.00 N ATOM 367 CA ASP A 26 92.796 15.070 2.652 1.00 0.00 C ATOM 368 C ASP A 26 93.041 15.408 4.125 1.00 0.00 C ATOM 369 O ASP A 26 93.492 16.483 4.466 1.00 0.00 O ATOM 370 CB ASP A 26 91.289 15.130 2.328 1.00 0.00 C ATOM 371 CG ASP A 26 90.906 16.547 1.885 1.00 0.00 C ATOM 372 OD1 ASP A 26 90.376 17.279 2.704 1.00 0.00 O ATOM 373 OD2 ASP A 26 91.149 16.873 0.735 1.00 0.00 O ATOM 0 H ASP A 26 94.181 13.648 1.864 1.00 0.00 H new ATOM 0 HA ASP A 26 93.300 15.790 2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 26 91.049 14.416 1.540 1.00 0.00 H new ATOM 0 HB3 ASP A 26 90.708 14.844 3.205 1.00 0.00 H new ATOM 378 N LEU A 27 92.771 14.470 4.998 1.00 0.00 N ATOM 379 CA LEU A 27 93.009 14.686 6.451 1.00 0.00 C ATOM 380 C LEU A 27 94.409 14.151 6.765 1.00 0.00 C ATOM 381 O LEU A 27 95.095 14.647 7.633 1.00 0.00 O ATOM 382 CB LEU A 27 91.937 13.920 7.255 1.00 0.00 C ATOM 383 CG LEU A 27 90.836 14.883 7.751 1.00 0.00 C ATOM 384 CD1 LEU A 27 89.672 14.067 8.320 1.00 0.00 C ATOM 385 CD2 LEU A 27 91.388 15.822 8.845 1.00 0.00 C ATOM 0 H LEU A 27 92.391 13.554 4.759 1.00 0.00 H new ATOM 0 HA LEU A 27 92.945 15.741 6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 27 91.494 13.143 6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 27 92.401 13.421 8.106 1.00 0.00 H new ATOM 0 HG LEU A 27 90.493 15.489 6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 27 88.892 14.742 8.672 1.00 0.00 H new ATOM 0 HD12 LEU A 27 89.268 13.419 7.542 1.00 0.00 H new ATOM 0 HD13 LEU A 27 90.027 13.458 9.152 1.00 0.00 H new ATOM 0 HD21 LEU A 27 90.597 16.493 9.182 1.00 0.00 H new ATOM 0 HD22 LEU A 27 91.744 15.229 9.688 1.00 0.00 H new ATOM 0 HD23 LEU A 27 92.213 16.408 8.439 1.00 0.00 H new ATOM 397 N ASN A 28 94.824 13.144 6.035 1.00 0.00 N ATOM 398 CA ASN A 28 96.181 12.546 6.228 1.00 0.00 C ATOM 399 C ASN A 28 96.240 11.722 7.509 1.00 0.00 C ATOM 400 O ASN A 28 97.309 11.416 7.997 1.00 0.00 O ATOM 401 CB ASN A 28 97.245 13.650 6.293 1.00 0.00 C ATOM 402 CG ASN A 28 98.614 13.052 5.980 1.00 0.00 C ATOM 403 OD1 ASN A 28 99.542 13.758 5.638 1.00 0.00 O ATOM 404 ND2 ASN A 28 98.770 11.767 6.085 1.00 0.00 N ATOM 0 H ASN A 28 94.269 12.704 5.301 1.00 0.00 H new ATOM 0 HA ASN A 28 96.379 11.893 5.378 1.00 0.00 H new ATOM 0 HB2 ASN A 28 97.009 14.440 5.580 1.00 0.00 H new ATOM 0 HB3 ASN A 28 97.252 14.106 7.283 1.00 0.00 H new ATOM 0 HD21 ASN A 28 99.676 11.345 5.880 1.00 0.00 H new ATOM 0 HD22 ASN A 28 97.987 11.180 6.373 1.00 0.00 H new ATOM 411 N ARG A 29 95.118 11.346 8.062 1.00 0.00 N ATOM 412 CA ARG A 29 95.152 10.536 9.301 1.00 0.00 C ATOM 413 C ARG A 29 95.072 9.068 8.937 1.00 0.00 C ATOM 414 O ARG A 29 94.991 8.694 7.784 1.00 0.00 O ATOM 415 CB ARG A 29 93.963 10.873 10.186 1.00 0.00 C ATOM 416 CG ARG A 29 93.991 12.359 10.530 1.00 0.00 C ATOM 417 CD ARG A 29 92.701 12.742 11.262 1.00 0.00 C ATOM 418 NE ARG A 29 92.825 12.387 12.704 1.00 0.00 N ATOM 419 CZ ARG A 29 93.603 13.086 13.484 1.00 0.00 C ATOM 420 NH1 ARG A 29 93.717 12.771 14.745 1.00 0.00 N ATOM 421 NH2 ARG A 29 94.267 14.101 13.003 1.00 0.00 N ATOM 0 H ARG A 29 94.187 11.566 7.708 1.00 0.00 H new ATOM 0 HA ARG A 29 96.077 10.752 9.835 1.00 0.00 H new ATOM 0 HB2 ARG A 29 93.033 10.625 9.674 1.00 0.00 H new ATOM 0 HB3 ARG A 29 93.994 10.277 11.098 1.00 0.00 H new ATOM 0 HG2 ARG A 29 94.856 12.581 11.155 1.00 0.00 H new ATOM 0 HG3 ARG A 29 94.095 12.951 9.621 1.00 0.00 H new ATOM 0 HD2 ARG A 29 92.512 13.810 11.154 1.00 0.00 H new ATOM 0 HD3 ARG A 29 91.851 12.222 10.820 1.00 0.00 H new ATOM 0 HE ARG A 29 92.301 11.597 13.081 1.00 0.00 H new ATOM 0 HH11 ARG A 29 93.198 11.978 15.122 1.00 0.00 H new ATOM 0 HH12 ARG A 29 94.325 13.318 15.354 1.00 0.00 H new ATOM 0 HH21 ARG A 29 94.178 14.348 12.017 1.00 0.00 H new ATOM 0 HH22 ARG A 29 94.875 14.648 13.613 1.00 0.00 H new ATOM 435 N ASP A 30 95.066 8.239 9.927 1.00 0.00 N ATOM 436 CA ASP A 30 94.959 6.776 9.700 1.00 0.00 C ATOM 437 C ASP A 30 94.046 6.211 10.770 1.00 0.00 C ATOM 438 O ASP A 30 94.326 6.300 11.949 1.00 0.00 O ATOM 439 CB ASP A 30 96.333 6.116 9.796 1.00 0.00 C ATOM 440 CG ASP A 30 97.120 6.377 8.511 1.00 0.00 C ATOM 441 OD1 ASP A 30 98.010 7.210 8.543 1.00 0.00 O ATOM 442 OD2 ASP A 30 96.819 5.738 7.516 1.00 0.00 O ATOM 0 H ASP A 30 95.132 8.514 10.907 1.00 0.00 H new ATOM 0 HA ASP A 30 94.560 6.581 8.705 1.00 0.00 H new ATOM 0 HB2 ASP A 30 96.878 6.510 10.654 1.00 0.00 H new ATOM 0 HB3 ASP A 30 96.222 5.043 9.954 1.00 0.00 H new ATOM 447 N VAL A 31 92.943 5.650 10.365 1.00 0.00 N ATOM 448 CA VAL A 31 91.971 5.090 11.346 1.00 0.00 C ATOM 449 C VAL A 31 91.767 3.605 11.087 1.00 0.00 C ATOM 450 O VAL A 31 92.005 3.108 10.004 1.00 0.00 O ATOM 451 CB VAL A 31 90.640 5.818 11.198 1.00 0.00 C ATOM 452 CG1 VAL A 31 89.713 5.403 12.342 1.00 0.00 C ATOM 453 CG2 VAL A 31 90.877 7.335 11.248 1.00 0.00 C ATOM 0 H VAL A 31 92.670 5.554 9.387 1.00 0.00 H new ATOM 0 HA VAL A 31 92.358 5.224 12.356 1.00 0.00 H new ATOM 0 HB VAL A 31 90.182 5.558 10.244 1.00 0.00 H new ATOM 0 HG11 VAL A 31 88.759 5.920 12.243 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.548 4.326 12.304 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.171 5.667 13.295 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.925 7.856 11.142 1.00 0.00 H new ATOM 0 HG22 VAL A 31 91.332 7.601 12.202 1.00 0.00 H new ATOM 0 HG23 VAL A 31 91.542 7.626 10.435 1.00 0.00 H new ATOM 463 N THR A 32 91.324 2.896 12.088 1.00 0.00 N ATOM 464 CA THR A 32 91.085 1.430 11.950 1.00 0.00 C ATOM 465 C THR A 32 89.709 1.113 12.547 1.00 0.00 C ATOM 466 O THR A 32 89.361 1.590 13.609 1.00 0.00 O ATOM 467 CB THR A 32 92.196 0.664 12.716 1.00 0.00 C ATOM 468 OG1 THR A 32 93.038 1.606 13.363 1.00 0.00 O ATOM 469 CG2 THR A 32 93.046 -0.189 11.761 1.00 0.00 C ATOM 0 H THR A 32 91.114 3.276 13.011 1.00 0.00 H new ATOM 0 HA THR A 32 91.108 1.127 10.903 1.00 0.00 H new ATOM 0 HB THR A 32 91.723 0.002 13.441 1.00 0.00 H new ATOM 0 HG1 THR A 32 93.743 1.133 13.852 1.00 0.00 H new ATOM 0 HG21 THR A 32 93.815 -0.713 12.328 1.00 0.00 H new ATOM 0 HG22 THR A 32 92.409 -0.915 11.257 1.00 0.00 H new ATOM 0 HG23 THR A 32 93.518 0.456 11.020 1.00 0.00 H new ATOM 477 N LEU A 33 88.927 0.315 11.867 1.00 0.00 N ATOM 478 CA LEU A 33 87.568 -0.039 12.371 1.00 0.00 C ATOM 479 C LEU A 33 87.528 -1.526 12.714 1.00 0.00 C ATOM 480 O LEU A 33 87.562 -2.367 11.846 1.00 0.00 O ATOM 481 CB LEU A 33 86.554 0.247 11.251 1.00 0.00 C ATOM 482 CG LEU A 33 86.075 1.710 11.297 1.00 0.00 C ATOM 483 CD1 LEU A 33 85.116 1.935 12.479 1.00 0.00 C ATOM 484 CD2 LEU A 33 87.280 2.648 11.422 1.00 0.00 C ATOM 0 H LEU A 33 89.176 -0.111 10.974 1.00 0.00 H new ATOM 0 HA LEU A 33 87.330 0.544 13.261 1.00 0.00 H new ATOM 0 HB2 LEU A 33 87.009 0.041 10.282 1.00 0.00 H new ATOM 0 HB3 LEU A 33 85.699 -0.422 11.350 1.00 0.00 H new ATOM 0 HG LEU A 33 85.540 1.926 10.372 1.00 0.00 H new ATOM 0 HD11 LEU A 33 84.791 2.975 12.491 1.00 0.00 H new ATOM 0 HD12 LEU A 33 84.248 1.285 12.372 1.00 0.00 H new ATOM 0 HD13 LEU A 33 85.629 1.704 13.413 1.00 0.00 H new ATOM 0 HD21 LEU A 33 86.935 3.681 11.454 1.00 0.00 H new ATOM 0 HD22 LEU A 33 87.826 2.419 12.337 1.00 0.00 H new ATOM 0 HD23 LEU A 33 87.938 2.512 10.564 1.00 0.00 H new ATOM 496 N ARG A 34 87.420 -1.845 13.969 1.00 0.00 N ATOM 497 CA ARG A 34 87.350 -3.270 14.376 1.00 0.00 C ATOM 498 C ARG A 34 86.115 -3.882 13.736 1.00 0.00 C ATOM 499 O ARG A 34 85.001 -3.665 14.171 1.00 0.00 O ATOM 500 CB ARG A 34 87.241 -3.369 15.899 1.00 0.00 C ATOM 501 CG ARG A 34 87.336 -4.840 16.327 1.00 0.00 C ATOM 502 CD ARG A 34 88.744 -5.392 16.061 1.00 0.00 C ATOM 503 NE ARG A 34 89.046 -6.462 17.056 1.00 0.00 N ATOM 504 CZ ARG A 34 90.249 -6.960 17.138 1.00 0.00 C ATOM 505 NH1 ARG A 34 90.506 -7.906 18.000 1.00 0.00 N ATOM 506 NH2 ARG A 34 91.198 -6.511 16.362 1.00 0.00 N ATOM 0 H ARG A 34 87.377 -1.174 14.736 1.00 0.00 H new ATOM 0 HA ARG A 34 88.247 -3.799 14.054 1.00 0.00 H new ATOM 0 HB2 ARG A 34 88.037 -2.791 16.369 1.00 0.00 H new ATOM 0 HB3 ARG A 34 86.296 -2.942 16.235 1.00 0.00 H new ATOM 0 HG2 ARG A 34 87.098 -4.932 17.387 1.00 0.00 H new ATOM 0 HG3 ARG A 34 86.599 -5.431 15.783 1.00 0.00 H new ATOM 0 HD2 ARG A 34 88.806 -5.792 15.049 1.00 0.00 H new ATOM 0 HD3 ARG A 34 89.481 -4.592 16.134 1.00 0.00 H new ATOM 0 HE ARG A 34 88.310 -6.805 17.674 1.00 0.00 H new ATOM 0 HH11 ARG A 34 89.766 -8.256 18.609 1.00 0.00 H new ATOM 0 HH12 ARG A 34 91.446 -8.296 18.064 1.00 0.00 H new ATOM 0 HH21 ARG A 34 90.999 -5.770 15.690 1.00 0.00 H new ATOM 0 HH22 ARG A 34 92.138 -6.902 16.428 1.00 0.00 H new ATOM 520 N VAL A 35 86.311 -4.629 12.685 1.00 0.00 N ATOM 521 CA VAL A 35 85.166 -5.254 11.966 1.00 0.00 C ATOM 522 C VAL A 35 85.428 -6.733 11.762 1.00 0.00 C ATOM 523 O VAL A 35 86.355 -7.302 12.303 1.00 0.00 O ATOM 524 CB VAL A 35 85.020 -4.602 10.596 1.00 0.00 C ATOM 525 CG1 VAL A 35 84.570 -3.153 10.768 1.00 0.00 C ATOM 526 CG2 VAL A 35 86.360 -4.637 9.857 1.00 0.00 C ATOM 0 H VAL A 35 87.228 -4.835 12.289 1.00 0.00 H new ATOM 0 HA VAL A 35 84.260 -5.116 12.556 1.00 0.00 H new ATOM 0 HB VAL A 35 84.277 -5.149 10.016 1.00 0.00 H new ATOM 0 HG11 VAL A 35 84.465 -2.686 9.789 1.00 0.00 H new ATOM 0 HG12 VAL A 35 83.611 -3.129 11.286 1.00 0.00 H new ATOM 0 HG13 VAL A 35 85.312 -2.609 11.352 1.00 0.00 H new ATOM 0 HG21 VAL A 35 86.248 -4.169 8.879 1.00 0.00 H new ATOM 0 HG22 VAL A 35 87.109 -4.095 10.435 1.00 0.00 H new ATOM 0 HG23 VAL A 35 86.679 -5.672 9.730 1.00 0.00 H new ATOM 536 N THR A 36 84.613 -7.354 10.959 1.00 0.00 N ATOM 537 CA THR A 36 84.782 -8.796 10.667 1.00 0.00 C ATOM 538 C THR A 36 84.513 -8.992 9.181 1.00 0.00 C ATOM 539 O THR A 36 84.051 -8.096 8.505 1.00 0.00 O ATOM 540 CB THR A 36 83.788 -9.612 11.494 1.00 0.00 C ATOM 541 OG1 THR A 36 82.499 -9.023 11.404 1.00 0.00 O ATOM 542 CG2 THR A 36 84.235 -9.641 12.952 1.00 0.00 C ATOM 0 H THR A 36 83.824 -6.912 10.486 1.00 0.00 H new ATOM 0 HA THR A 36 85.788 -9.129 10.921 1.00 0.00 H new ATOM 0 HB THR A 36 83.749 -10.631 11.109 1.00 0.00 H new ATOM 0 HG1 THR A 36 81.946 -9.330 12.153 1.00 0.00 H new ATOM 0 HG21 THR A 36 83.525 -10.223 13.539 1.00 0.00 H new ATOM 0 HG22 THR A 36 85.223 -10.097 13.021 1.00 0.00 H new ATOM 0 HG23 THR A 36 84.278 -8.623 13.340 1.00 0.00 H new ATOM 550 N GLY A 37 84.801 -10.138 8.656 1.00 0.00 N ATOM 551 CA GLY A 37 84.560 -10.357 7.207 1.00 0.00 C ATOM 552 C GLY A 37 83.077 -10.588 6.965 1.00 0.00 C ATOM 553 O GLY A 37 82.681 -11.467 6.225 1.00 0.00 O ATOM 0 H GLY A 37 85.192 -10.933 9.161 1.00 0.00 H new ATOM 0 HA2 GLY A 37 84.901 -9.493 6.637 1.00 0.00 H new ATOM 0 HA3 GLY A 37 85.134 -11.216 6.859 1.00 0.00 H new ATOM 557 N GLU A 38 82.252 -9.789 7.578 1.00 0.00 N ATOM 558 CA GLU A 38 80.785 -9.929 7.389 1.00 0.00 C ATOM 559 C GLU A 38 80.145 -8.544 7.462 1.00 0.00 C ATOM 560 O GLU A 38 78.939 -8.409 7.401 1.00 0.00 O ATOM 561 CB GLU A 38 80.202 -10.819 8.485 1.00 0.00 C ATOM 562 CG GLU A 38 80.714 -10.354 9.850 1.00 0.00 C ATOM 563 CD GLU A 38 79.817 -10.915 10.957 1.00 0.00 C ATOM 564 OE1 GLU A 38 78.794 -10.308 11.227 1.00 0.00 O ATOM 565 OE2 GLU A 38 80.170 -11.941 11.515 1.00 0.00 O ATOM 0 H GLU A 38 82.535 -9.038 8.208 1.00 0.00 H new ATOM 0 HA GLU A 38 80.582 -10.383 6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 38 79.113 -10.778 8.460 1.00 0.00 H new ATOM 0 HB3 GLU A 38 80.485 -11.857 8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 38 81.741 -10.688 9.997 1.00 0.00 H new ATOM 0 HG3 GLU A 38 80.724 -9.265 9.894 1.00 0.00 H new ATOM 572 N VAL A 39 80.938 -7.504 7.585 1.00 0.00 N ATOM 573 CA VAL A 39 80.350 -6.138 7.652 1.00 0.00 C ATOM 574 C VAL A 39 80.188 -5.579 6.242 1.00 0.00 C ATOM 575 O VAL A 39 81.060 -5.701 5.411 1.00 0.00 O ATOM 576 CB VAL A 39 81.251 -5.219 8.488 1.00 0.00 C ATOM 577 CG1 VAL A 39 81.695 -5.974 9.739 1.00 0.00 C ATOM 578 CG2 VAL A 39 82.487 -4.768 7.685 1.00 0.00 C ATOM 0 H VAL A 39 81.956 -7.546 7.641 1.00 0.00 H new ATOM 0 HA VAL A 39 79.370 -6.191 8.127 1.00 0.00 H new ATOM 0 HB VAL A 39 80.688 -4.327 8.763 1.00 0.00 H new ATOM 0 HG11 VAL A 39 82.337 -5.332 10.343 1.00 0.00 H new ATOM 0 HG12 VAL A 39 80.819 -6.262 10.320 1.00 0.00 H new ATOM 0 HG13 VAL A 39 82.247 -6.868 9.448 1.00 0.00 H new ATOM 0 HG21 VAL A 39 83.106 -4.118 8.304 1.00 0.00 H new ATOM 0 HG22 VAL A 39 83.065 -5.642 7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 39 82.165 -4.224 6.797 1.00 0.00 H new ATOM 588 N HIS A 40 79.089 -4.956 5.966 1.00 0.00 N ATOM 589 CA HIS A 40 78.896 -4.382 4.605 1.00 0.00 C ATOM 590 C HIS A 40 79.726 -3.099 4.491 1.00 0.00 C ATOM 591 O HIS A 40 79.905 -2.382 5.456 1.00 0.00 O ATOM 592 CB HIS A 40 77.407 -4.081 4.374 1.00 0.00 C ATOM 593 CG HIS A 40 76.568 -5.076 5.129 1.00 0.00 C ATOM 594 ND1 HIS A 40 75.564 -4.685 6.000 1.00 0.00 N ATOM 595 CD2 HIS A 40 76.572 -6.448 5.152 1.00 0.00 C ATOM 596 CE1 HIS A 40 75.009 -5.801 6.506 1.00 0.00 C ATOM 597 NE2 HIS A 40 75.586 -6.904 6.022 1.00 0.00 N ATOM 0 H HIS A 40 78.315 -4.816 6.615 1.00 0.00 H new ATOM 0 HA HIS A 40 79.223 -5.094 3.848 1.00 0.00 H new ATOM 0 HB2 HIS A 40 77.175 -3.069 4.705 1.00 0.00 H new ATOM 0 HB3 HIS A 40 77.177 -4.129 3.310 1.00 0.00 H new ATOM 0 HD2 HIS A 40 77.239 -7.078 4.582 1.00 0.00 H new ATOM 0 HE1 HIS A 40 74.196 -5.805 7.217 1.00 0.00 H new ATOM 0 HE2 HIS A 40 75.354 -7.872 6.243 1.00 0.00 H new ATOM 605 N ILE A 41 80.240 -2.805 3.325 1.00 0.00 N ATOM 606 CA ILE A 41 81.062 -1.567 3.161 1.00 0.00 C ATOM 607 C ILE A 41 80.357 -0.394 3.829 1.00 0.00 C ATOM 608 O ILE A 41 80.885 0.251 4.712 1.00 0.00 O ATOM 609 CB ILE A 41 81.210 -1.242 1.677 1.00 0.00 C ATOM 610 CG1 ILE A 41 82.046 -2.318 0.987 1.00 0.00 C ATOM 611 CG2 ILE A 41 81.898 0.117 1.512 1.00 0.00 C ATOM 612 CD1 ILE A 41 81.926 -2.151 -0.531 1.00 0.00 C ATOM 0 H ILE A 41 80.127 -3.366 2.481 1.00 0.00 H new ATOM 0 HA ILE A 41 82.040 -1.733 3.614 1.00 0.00 H new ATOM 0 HB ILE A 41 80.220 -1.209 1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 41 83.089 -2.237 1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 41 81.703 -3.309 1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 41 82.002 0.346 0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 41 81.298 0.889 1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 41 82.884 0.084 1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 41 82.521 -2.916 -1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 41 80.882 -2.253 -0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 41 82.290 -1.165 -0.818 1.00 0.00 H new ATOM 624 N GLY A 42 79.166 -0.114 3.398 1.00 0.00 N ATOM 625 CA GLY A 42 78.412 1.015 3.985 1.00 0.00 C ATOM 626 C GLY A 42 78.341 0.817 5.487 1.00 0.00 C ATOM 627 O GLY A 42 78.073 1.731 6.241 1.00 0.00 O ATOM 0 H GLY A 42 78.680 -0.623 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 42 78.901 1.960 3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 42 77.409 1.062 3.561 1.00 0.00 H new ATOM 631 N GLY A 43 78.608 -0.375 5.927 1.00 0.00 N ATOM 632 CA GLY A 43 78.587 -0.643 7.385 1.00 0.00 C ATOM 633 C GLY A 43 79.772 0.085 8.014 1.00 0.00 C ATOM 634 O GLY A 43 79.736 0.500 9.151 1.00 0.00 O ATOM 0 H GLY A 43 78.840 -1.176 5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 43 77.651 -0.297 7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 43 78.652 -1.714 7.577 1.00 0.00 H new ATOM 638 N VAL A 44 80.817 0.252 7.256 1.00 0.00 N ATOM 639 CA VAL A 44 82.025 0.963 7.754 1.00 0.00 C ATOM 640 C VAL A 44 81.819 2.471 7.561 1.00 0.00 C ATOM 641 O VAL A 44 82.172 3.266 8.409 1.00 0.00 O ATOM 642 CB VAL A 44 83.244 0.468 6.957 1.00 0.00 C ATOM 643 CG1 VAL A 44 84.409 1.456 7.087 1.00 0.00 C ATOM 644 CG2 VAL A 44 83.682 -0.896 7.498 1.00 0.00 C ATOM 0 H VAL A 44 80.886 -0.081 6.294 1.00 0.00 H new ATOM 0 HA VAL A 44 82.191 0.765 8.813 1.00 0.00 H new ATOM 0 HB VAL A 44 82.966 0.385 5.906 1.00 0.00 H new ATOM 0 HG11 VAL A 44 85.262 1.089 6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 44 84.106 2.429 6.701 1.00 0.00 H new ATOM 0 HG13 VAL A 44 84.688 1.553 8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 44 84.546 -1.250 6.936 1.00 0.00 H new ATOM 0 HG22 VAL A 44 83.948 -0.801 8.551 1.00 0.00 H new ATOM 0 HG23 VAL A 44 82.864 -1.609 7.393 1.00 0.00 H new ATOM 654 N MET A 45 81.238 2.868 6.455 1.00 0.00 N ATOM 655 CA MET A 45 80.994 4.325 6.215 1.00 0.00 C ATOM 656 C MET A 45 80.387 4.933 7.482 1.00 0.00 C ATOM 657 O MET A 45 80.664 6.060 7.846 1.00 0.00 O ATOM 658 CB MET A 45 79.978 4.497 5.066 1.00 0.00 C ATOM 659 CG MET A 45 80.647 4.335 3.689 1.00 0.00 C ATOM 660 SD MET A 45 79.670 5.197 2.415 1.00 0.00 S ATOM 661 CE MET A 45 78.176 4.160 2.404 1.00 0.00 C ATOM 0 H MET A 45 80.923 2.248 5.709 1.00 0.00 H new ATOM 0 HA MET A 45 81.933 4.815 5.958 1.00 0.00 H new ATOM 0 HB2 MET A 45 79.180 3.762 5.172 1.00 0.00 H new ATOM 0 HB3 MET A 45 79.515 5.482 5.133 1.00 0.00 H new ATOM 0 HG2 MET A 45 81.659 4.739 3.718 1.00 0.00 H new ATOM 0 HG3 MET A 45 80.733 3.277 3.439 1.00 0.00 H new ATOM 0 HE1 MET A 45 77.378 4.677 1.870 1.00 0.00 H new ATOM 0 HE2 MET A 45 78.393 3.215 1.906 1.00 0.00 H new ATOM 0 HE3 MET A 45 77.860 3.966 3.429 1.00 0.00 H new ATOM 671 N LEU A 46 79.538 4.191 8.136 1.00 0.00 N ATOM 672 CA LEU A 46 78.873 4.714 9.362 1.00 0.00 C ATOM 673 C LEU A 46 79.829 4.649 10.568 1.00 0.00 C ATOM 674 O LEU A 46 80.086 5.645 11.213 1.00 0.00 O ATOM 675 CB LEU A 46 77.590 3.882 9.623 1.00 0.00 C ATOM 676 CG LEU A 46 76.407 4.815 9.965 1.00 0.00 C ATOM 677 CD1 LEU A 46 75.090 4.021 10.046 1.00 0.00 C ATOM 678 CD2 LEU A 46 76.683 5.520 11.307 1.00 0.00 C ATOM 0 H LEU A 46 79.275 3.241 7.873 1.00 0.00 H new ATOM 0 HA LEU A 46 78.603 5.760 9.218 1.00 0.00 H new ATOM 0 HB2 LEU A 46 77.349 3.286 8.743 1.00 0.00 H new ATOM 0 HB3 LEU A 46 77.761 3.185 10.443 1.00 0.00 H new ATOM 0 HG LEU A 46 76.306 5.559 9.175 1.00 0.00 H new ATOM 0 HD11 LEU A 46 74.271 4.698 10.288 1.00 0.00 H new ATOM 0 HD12 LEU A 46 74.894 3.543 9.086 1.00 0.00 H new ATOM 0 HD13 LEU A 46 75.172 3.259 10.821 1.00 0.00 H new ATOM 0 HD21 LEU A 46 75.849 6.179 11.550 1.00 0.00 H new ATOM 0 HD22 LEU A 46 76.797 4.774 12.093 1.00 0.00 H new ATOM 0 HD23 LEU A 46 77.598 6.107 11.228 1.00 0.00 H new ATOM 690 N LYS A 47 80.341 3.492 10.892 1.00 0.00 N ATOM 691 CA LYS A 47 81.254 3.389 12.074 1.00 0.00 C ATOM 692 C LYS A 47 82.396 4.406 11.968 1.00 0.00 C ATOM 693 O LYS A 47 82.567 5.246 12.828 1.00 0.00 O ATOM 694 CB LYS A 47 81.859 1.985 12.155 1.00 0.00 C ATOM 695 CG LYS A 47 80.754 0.928 12.119 1.00 0.00 C ATOM 696 CD LYS A 47 81.377 -0.443 11.836 1.00 0.00 C ATOM 697 CE LYS A 47 80.319 -1.536 11.992 1.00 0.00 C ATOM 698 NZ LYS A 47 79.967 -1.687 13.432 1.00 0.00 N ATOM 0 H LYS A 47 80.170 2.618 10.395 1.00 0.00 H new ATOM 0 HA LYS A 47 80.665 3.594 12.968 1.00 0.00 H new ATOM 0 HB2 LYS A 47 82.547 1.830 11.324 1.00 0.00 H new ATOM 0 HB3 LYS A 47 82.439 1.884 13.072 1.00 0.00 H new ATOM 0 HG2 LYS A 47 80.221 0.909 13.070 1.00 0.00 H new ATOM 0 HG3 LYS A 47 80.023 1.175 11.349 1.00 0.00 H new ATOM 0 HD2 LYS A 47 81.789 -0.464 10.827 1.00 0.00 H new ATOM 0 HD3 LYS A 47 82.205 -0.625 12.522 1.00 0.00 H new ATOM 0 HE2 LYS A 47 79.430 -1.281 11.414 1.00 0.00 H new ATOM 0 HE3 LYS A 47 80.696 -2.480 11.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 79.544 -2.624 13.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 80.826 -1.594 14.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 79.286 -0.949 13.702 1.00 0.00 H new ATOM 712 N LEU A 48 83.191 4.326 10.933 1.00 0.00 N ATOM 713 CA LEU A 48 84.335 5.280 10.788 1.00 0.00 C ATOM 714 C LEU A 48 83.851 6.703 11.087 1.00 0.00 C ATOM 715 O LEU A 48 84.496 7.451 11.794 1.00 0.00 O ATOM 716 CB LEU A 48 84.890 5.180 9.352 1.00 0.00 C ATOM 717 CG LEU A 48 85.937 6.277 9.053 1.00 0.00 C ATOM 718 CD1 LEU A 48 87.235 6.013 9.809 1.00 0.00 C ATOM 719 CD2 LEU A 48 86.250 6.259 7.563 1.00 0.00 C ATOM 0 H LEU A 48 83.099 3.643 10.181 1.00 0.00 H new ATOM 0 HA LEU A 48 85.129 5.031 11.492 1.00 0.00 H new ATOM 0 HB2 LEU A 48 85.342 4.199 9.207 1.00 0.00 H new ATOM 0 HB3 LEU A 48 84.068 5.261 8.640 1.00 0.00 H new ATOM 0 HG LEU A 48 85.529 7.239 9.364 1.00 0.00 H new ATOM 0 HD11 LEU A 48 87.955 6.799 9.581 1.00 0.00 H new ATOM 0 HD12 LEU A 48 87.036 6.002 10.881 1.00 0.00 H new ATOM 0 HD13 LEU A 48 87.643 5.049 9.506 1.00 0.00 H new ATOM 0 HD21 LEU A 48 86.988 7.029 7.337 1.00 0.00 H new ATOM 0 HD22 LEU A 48 86.648 5.282 7.287 1.00 0.00 H new ATOM 0 HD23 LEU A 48 85.339 6.453 6.997 1.00 0.00 H new ATOM 731 N VAL A 49 82.723 7.080 10.558 1.00 0.00 N ATOM 732 CA VAL A 49 82.203 8.451 10.817 1.00 0.00 C ATOM 733 C VAL A 49 81.794 8.574 12.290 1.00 0.00 C ATOM 734 O VAL A 49 82.143 9.525 12.961 1.00 0.00 O ATOM 735 CB VAL A 49 80.991 8.698 9.914 1.00 0.00 C ATOM 736 CG1 VAL A 49 80.223 9.939 10.370 1.00 0.00 C ATOM 737 CG2 VAL A 49 81.467 8.901 8.474 1.00 0.00 C ATOM 0 H VAL A 49 82.138 6.499 9.957 1.00 0.00 H new ATOM 0 HA VAL A 49 82.975 9.190 10.603 1.00 0.00 H new ATOM 0 HB VAL A 49 80.329 7.834 9.973 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.366 10.097 9.716 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.877 9.797 11.394 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.878 10.809 10.326 1.00 0.00 H new ATOM 0 HG21 VAL A 49 80.607 9.077 7.828 1.00 0.00 H new ATOM 0 HG22 VAL A 49 82.136 9.760 8.430 1.00 0.00 H new ATOM 0 HG23 VAL A 49 81.997 8.010 8.137 1.00 0.00 H new ATOM 747 N GLU A 50 81.051 7.623 12.794 1.00 0.00 N ATOM 748 CA GLU A 50 80.610 7.688 14.220 1.00 0.00 C ATOM 749 C GLU A 50 81.787 8.086 15.110 1.00 0.00 C ATOM 750 O GLU A 50 81.640 8.836 16.055 1.00 0.00 O ATOM 751 CB GLU A 50 80.092 6.314 14.657 1.00 0.00 C ATOM 752 CG GLU A 50 78.705 6.071 14.060 1.00 0.00 C ATOM 753 CD GLU A 50 77.685 6.982 14.745 1.00 0.00 C ATOM 754 OE1 GLU A 50 77.241 7.924 14.109 1.00 0.00 O ATOM 755 OE2 GLU A 50 77.366 6.724 15.893 1.00 0.00 O ATOM 0 H GLU A 50 80.730 6.803 12.279 1.00 0.00 H new ATOM 0 HA GLU A 50 79.817 8.430 14.315 1.00 0.00 H new ATOM 0 HB2 GLU A 50 80.780 5.535 14.330 1.00 0.00 H new ATOM 0 HB3 GLU A 50 80.044 6.262 15.745 1.00 0.00 H new ATOM 0 HG2 GLU A 50 78.720 6.267 12.988 1.00 0.00 H new ATOM 0 HG3 GLU A 50 78.420 5.027 14.190 1.00 0.00 H new ATOM 762 N LYS A 51 82.950 7.579 14.823 1.00 0.00 N ATOM 763 CA LYS A 51 84.133 7.914 15.655 1.00 0.00 C ATOM 764 C LYS A 51 84.631 9.326 15.333 1.00 0.00 C ATOM 765 O LYS A 51 85.204 9.995 16.170 1.00 0.00 O ATOM 766 CB LYS A 51 85.229 6.900 15.372 1.00 0.00 C ATOM 767 CG LYS A 51 84.671 5.503 15.635 1.00 0.00 C ATOM 768 CD LYS A 51 85.804 4.486 15.722 1.00 0.00 C ATOM 769 CE LYS A 51 86.741 4.621 14.521 1.00 0.00 C ATOM 770 NZ LYS A 51 87.612 5.818 14.694 1.00 0.00 N ATOM 0 H LYS A 51 83.132 6.945 14.045 1.00 0.00 H new ATOM 0 HA LYS A 51 83.858 7.882 16.709 1.00 0.00 H new ATOM 0 HB2 LYS A 51 85.567 6.985 14.339 1.00 0.00 H new ATOM 0 HB3 LYS A 51 86.094 7.089 16.008 1.00 0.00 H new ATOM 0 HG2 LYS A 51 84.100 5.501 16.564 1.00 0.00 H new ATOM 0 HG3 LYS A 51 83.983 5.223 14.837 1.00 0.00 H new ATOM 0 HD2 LYS A 51 86.364 4.635 16.645 1.00 0.00 H new ATOM 0 HD3 LYS A 51 85.393 3.477 15.758 1.00 0.00 H new ATOM 0 HE2 LYS A 51 87.354 3.725 14.423 1.00 0.00 H new ATOM 0 HE3 LYS A 51 86.160 4.712 13.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 87.404 6.510 13.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 87.430 6.248 15.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 88.610 5.532 14.634 1.00 0.00 H new ATOM 784 N LEU A 52 84.419 9.788 14.130 1.00 0.00 N ATOM 785 CA LEU A 52 84.878 11.150 13.765 1.00 0.00 C ATOM 786 C LEU A 52 84.179 12.166 14.668 1.00 0.00 C ATOM 787 O LEU A 52 84.798 12.815 15.483 1.00 0.00 O ATOM 788 CB LEU A 52 84.526 11.408 12.292 1.00 0.00 C ATOM 789 CG LEU A 52 85.446 12.491 11.717 1.00 0.00 C ATOM 790 CD1 LEU A 52 86.879 11.951 11.527 1.00 0.00 C ATOM 791 CD2 LEU A 52 84.884 12.965 10.370 1.00 0.00 C ATOM 0 H LEU A 52 83.946 9.276 13.385 1.00 0.00 H new ATOM 0 HA LEU A 52 85.956 11.243 13.897 1.00 0.00 H new ATOM 0 HB2 LEU A 52 84.630 10.488 11.718 1.00 0.00 H new ATOM 0 HB3 LEU A 52 83.485 11.720 12.207 1.00 0.00 H new ATOM 0 HG LEU A 52 85.488 13.326 12.416 1.00 0.00 H new ATOM 0 HD11 LEU A 52 87.513 12.738 11.118 1.00 0.00 H new ATOM 0 HD12 LEU A 52 87.277 11.628 12.489 1.00 0.00 H new ATOM 0 HD13 LEU A 52 86.861 11.105 10.840 1.00 0.00 H new ATOM 0 HD21 LEU A 52 85.534 13.736 9.956 1.00 0.00 H new ATOM 0 HD22 LEU A 52 84.834 12.123 9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 52 83.884 13.374 10.516 1.00 0.00 H new ATOM 803 N ASP A 53 82.888 12.278 14.527 1.00 0.00 N ATOM 804 CA ASP A 53 82.085 13.212 15.365 1.00 0.00 C ATOM 805 C ASP A 53 82.283 14.643 14.901 1.00 0.00 C ATOM 806 O ASP A 53 83.007 15.416 15.495 1.00 0.00 O ATOM 807 CB ASP A 53 82.502 13.058 16.819 1.00 0.00 C ATOM 808 CG ASP A 53 81.353 13.462 17.751 1.00 0.00 C ATOM 809 OD1 ASP A 53 80.512 12.621 18.021 1.00 0.00 O ATOM 810 OD2 ASP A 53 81.335 14.605 18.176 1.00 0.00 O ATOM 0 H ASP A 53 82.342 11.747 13.848 1.00 0.00 H new ATOM 0 HA ASP A 53 81.027 12.971 15.266 1.00 0.00 H new ATOM 0 HB2 ASP A 53 82.790 12.025 17.014 1.00 0.00 H new ATOM 0 HB3 ASP A 53 83.377 13.677 17.020 1.00 0.00 H new ATOM 815 N VAL A 54 81.632 14.984 13.841 1.00 0.00 N ATOM 816 CA VAL A 54 81.746 16.353 13.289 1.00 0.00 C ATOM 817 C VAL A 54 80.775 16.494 12.118 1.00 0.00 C ATOM 818 O VAL A 54 80.769 15.700 11.204 1.00 0.00 O ATOM 819 CB VAL A 54 83.192 16.582 12.841 1.00 0.00 C ATOM 820 CG1 VAL A 54 83.636 15.430 11.943 1.00 0.00 C ATOM 821 CG2 VAL A 54 83.309 17.914 12.090 1.00 0.00 C ATOM 0 H VAL A 54 81.013 14.363 13.321 1.00 0.00 H new ATOM 0 HA VAL A 54 81.492 17.101 14.040 1.00 0.00 H new ATOM 0 HB VAL A 54 83.837 16.622 13.719 1.00 0.00 H new ATOM 0 HG11 VAL A 54 84.665 15.593 11.624 1.00 0.00 H new ATOM 0 HG12 VAL A 54 83.571 14.492 12.495 1.00 0.00 H new ATOM 0 HG13 VAL A 54 82.989 15.381 11.068 1.00 0.00 H new ATOM 0 HG21 VAL A 54 84.342 18.065 11.777 1.00 0.00 H new ATOM 0 HG22 VAL A 54 82.663 17.895 11.213 1.00 0.00 H new ATOM 0 HG23 VAL A 54 83.006 18.730 12.746 1.00 0.00 H new ATOM 831 N LYS A 55 79.943 17.495 12.148 1.00 0.00 N ATOM 832 CA LYS A 55 78.957 17.686 11.045 1.00 0.00 C ATOM 833 C LYS A 55 79.696 17.995 9.730 1.00 0.00 C ATOM 834 O LYS A 55 79.248 18.795 8.933 1.00 0.00 O ATOM 835 CB LYS A 55 78.011 18.841 11.418 1.00 0.00 C ATOM 836 CG LYS A 55 76.610 18.611 10.830 1.00 0.00 C ATOM 837 CD LYS A 55 75.825 17.558 11.632 1.00 0.00 C ATOM 838 CE LYS A 55 74.327 17.705 11.344 1.00 0.00 C ATOM 839 NZ LYS A 55 73.608 16.487 11.812 1.00 0.00 N ATOM 0 H LYS A 55 79.901 18.193 12.891 1.00 0.00 H new ATOM 0 HA LYS A 55 78.375 16.775 10.904 1.00 0.00 H new ATOM 0 HB2 LYS A 55 77.945 18.927 12.503 1.00 0.00 H new ATOM 0 HB3 LYS A 55 78.416 19.783 11.047 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.058 19.551 10.825 1.00 0.00 H new ATOM 0 HG3 LYS A 55 76.699 18.288 9.793 1.00 0.00 H new ATOM 0 HD2 LYS A 55 76.161 16.557 11.363 1.00 0.00 H new ATOM 0 HD3 LYS A 55 76.015 17.682 12.698 1.00 0.00 H new ATOM 0 HE2 LYS A 55 73.934 18.588 11.848 1.00 0.00 H new ATOM 0 HE3 LYS A 55 74.164 17.848 10.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 72.592 16.587 11.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.976 15.653 11.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 73.754 16.369 12.835 1.00 0.00 H new ATOM 853 N LYS A 56 80.819 17.361 9.493 1.00 0.00 N ATOM 854 CA LYS A 56 81.567 17.615 8.230 1.00 0.00 C ATOM 855 C LYS A 56 80.876 16.863 7.091 1.00 0.00 C ATOM 856 O LYS A 56 80.105 15.951 7.315 1.00 0.00 O ATOM 857 CB LYS A 56 83.015 17.117 8.381 1.00 0.00 C ATOM 858 CG LYS A 56 83.725 17.111 7.017 1.00 0.00 C ATOM 859 CD LYS A 56 85.245 17.182 7.217 1.00 0.00 C ATOM 860 CE LYS A 56 85.716 15.992 8.058 1.00 0.00 C ATOM 861 NZ LYS A 56 85.370 16.228 9.489 1.00 0.00 N ATOM 0 H LYS A 56 81.246 16.680 10.121 1.00 0.00 H new ATOM 0 HA LYS A 56 81.581 18.683 8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 56 83.556 17.758 9.077 1.00 0.00 H new ATOM 0 HB3 LYS A 56 83.019 16.113 8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 56 83.464 16.208 6.466 1.00 0.00 H new ATOM 0 HG3 LYS A 56 83.389 17.958 6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 56 85.748 17.177 6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 56 85.512 18.116 7.711 1.00 0.00 H new ATOM 0 HE2 LYS A 56 85.245 15.074 7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 56 86.793 15.860 7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 86.166 15.936 10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 85.176 17.239 9.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 84.526 15.674 9.738 1.00 0.00 H new ATOM 875 N ASP A 57 81.138 17.243 5.875 1.00 0.00 N ATOM 876 CA ASP A 57 80.491 16.559 4.727 1.00 0.00 C ATOM 877 C ASP A 57 80.997 15.123 4.643 1.00 0.00 C ATOM 878 O ASP A 57 82.007 14.837 4.034 1.00 0.00 O ATOM 879 CB ASP A 57 80.815 17.312 3.432 1.00 0.00 C ATOM 880 CG ASP A 57 82.224 17.902 3.518 1.00 0.00 C ATOM 881 OD1 ASP A 57 83.138 17.280 3.001 1.00 0.00 O ATOM 882 OD2 ASP A 57 82.365 18.965 4.099 1.00 0.00 O ATOM 0 H ASP A 57 81.774 18.000 5.626 1.00 0.00 H new ATOM 0 HA ASP A 57 79.410 16.548 4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 57 80.745 16.636 2.580 1.00 0.00 H new ATOM 0 HB3 ASP A 57 80.087 18.107 3.270 1.00 0.00 H new ATOM 887 N TRP A 58 80.287 14.222 5.248 1.00 0.00 N ATOM 888 CA TRP A 58 80.695 12.796 5.211 1.00 0.00 C ATOM 889 C TRP A 58 80.179 12.161 3.911 1.00 0.00 C ATOM 890 O TRP A 58 80.878 11.446 3.228 1.00 0.00 O ATOM 891 CB TRP A 58 80.037 12.043 6.358 1.00 0.00 C ATOM 892 CG TRP A 58 80.378 12.581 7.716 1.00 0.00 C ATOM 893 CD1 TRP A 58 81.581 13.043 8.130 1.00 0.00 C ATOM 894 CD2 TRP A 58 79.490 12.669 8.865 1.00 0.00 C ATOM 895 NE1 TRP A 58 81.478 13.397 9.473 1.00 0.00 N ATOM 896 CE2 TRP A 58 80.205 13.182 9.964 1.00 0.00 C ATOM 897 CE3 TRP A 58 78.138 12.346 9.049 1.00 0.00 C ATOM 898 CZ2 TRP A 58 79.594 13.361 11.211 1.00 0.00 C ATOM 899 CZ3 TRP A 58 77.519 12.530 10.293 1.00 0.00 C ATOM 900 CH2 TRP A 58 78.247 13.032 11.374 1.00 0.00 C ATOM 0 H TRP A 58 79.433 14.413 5.772 1.00 0.00 H new ATOM 0 HA TRP A 58 81.781 12.741 5.281 1.00 0.00 H new ATOM 0 HB2 TRP A 58 78.955 12.075 6.227 1.00 0.00 H new ATOM 0 HB3 TRP A 58 80.333 10.995 6.309 1.00 0.00 H new ATOM 0 HD1 TRP A 58 82.470 13.123 7.522 1.00 0.00 H new ATOM 0 HE1 TRP A 58 82.249 13.770 10.027 1.00 0.00 H new ATOM 0 HE3 TRP A 58 77.567 11.951 8.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 80.162 13.752 12.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 76.475 12.283 10.416 1.00 0.00 H new ATOM 0 HH2 TRP A 58 77.769 13.165 12.333 1.00 0.00 H new ATOM 911 N SER A 59 78.936 12.403 3.589 1.00 0.00 N ATOM 912 CA SER A 59 78.329 11.809 2.361 1.00 0.00 C ATOM 913 C SER A 59 79.308 11.890 1.187 1.00 0.00 C ATOM 914 O SER A 59 79.626 10.899 0.560 1.00 0.00 O ATOM 915 CB SER A 59 77.056 12.584 2.022 1.00 0.00 C ATOM 916 OG SER A 59 76.018 12.185 2.908 1.00 0.00 O ATOM 0 H SER A 59 78.307 12.995 4.132 1.00 0.00 H new ATOM 0 HA SER A 59 78.095 10.760 2.543 1.00 0.00 H new ATOM 0 HB2 SER A 59 77.234 13.656 2.110 1.00 0.00 H new ATOM 0 HB3 SER A 59 76.763 12.393 0.990 1.00 0.00 H new ATOM 0 HG SER A 59 76.362 11.514 3.534 1.00 0.00 H new ATOM 922 N ASP A 60 79.779 13.062 0.885 1.00 0.00 N ATOM 923 CA ASP A 60 80.729 13.220 -0.250 1.00 0.00 C ATOM 924 C ASP A 60 81.879 12.210 -0.124 1.00 0.00 C ATOM 925 O ASP A 60 82.533 11.883 -1.095 1.00 0.00 O ATOM 926 CB ASP A 60 81.288 14.645 -0.226 1.00 0.00 C ATOM 927 CG ASP A 60 82.429 14.778 -1.240 1.00 0.00 C ATOM 928 OD1 ASP A 60 82.393 14.077 -2.238 1.00 0.00 O ATOM 929 OD2 ASP A 60 83.318 15.578 -1.000 1.00 0.00 O ATOM 0 H ASP A 60 79.547 13.925 1.377 1.00 0.00 H new ATOM 0 HA ASP A 60 80.209 13.037 -1.190 1.00 0.00 H new ATOM 0 HB2 ASP A 60 80.498 15.358 -0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 60 81.649 14.886 0.774 1.00 0.00 H new ATOM 934 N HIS A 61 82.151 11.733 1.063 1.00 0.00 N ATOM 935 CA HIS A 61 83.277 10.770 1.246 1.00 0.00 C ATOM 936 C HIS A 61 82.814 9.319 1.106 1.00 0.00 C ATOM 937 O HIS A 61 81.651 8.994 1.238 1.00 0.00 O ATOM 938 CB HIS A 61 83.887 10.967 2.635 1.00 0.00 C ATOM 939 CG HIS A 61 84.654 12.260 2.680 1.00 0.00 C ATOM 940 ND1 HIS A 61 86.016 12.302 2.933 1.00 0.00 N ATOM 941 CD2 HIS A 61 84.264 13.564 2.507 1.00 0.00 C ATOM 942 CE1 HIS A 61 86.393 13.593 2.906 1.00 0.00 C ATOM 943 NE2 HIS A 61 85.364 14.405 2.651 1.00 0.00 N ATOM 0 H HIS A 61 81.641 11.969 1.914 1.00 0.00 H new ATOM 0 HA HIS A 61 84.015 10.966 0.468 1.00 0.00 H new ATOM 0 HB2 HIS A 61 83.100 10.975 3.389 1.00 0.00 H new ATOM 0 HB3 HIS A 61 84.548 10.134 2.873 1.00 0.00 H new ATOM 0 HD1 HIS A 61 86.622 11.500 3.108 1.00 0.00 H new ATOM 0 HD2 HIS A 61 83.257 13.889 2.292 1.00 0.00 H new ATOM 0 HE1 HIS A 61 87.405 13.932 3.071 1.00 0.00 H new ATOM 951 N ALA A 62 83.756 8.453 0.847 1.00 0.00 N ATOM 952 CA ALA A 62 83.463 6.999 0.694 1.00 0.00 C ATOM 953 C ALA A 62 84.796 6.246 0.745 1.00 0.00 C ATOM 954 O ALA A 62 85.848 6.854 0.724 1.00 0.00 O ATOM 955 CB ALA A 62 82.776 6.750 -0.651 1.00 0.00 C ATOM 0 H ALA A 62 84.739 8.699 0.732 1.00 0.00 H new ATOM 0 HA ALA A 62 82.801 6.655 1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 62 82.563 5.686 -0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 62 81.843 7.313 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 62 83.431 7.073 -1.460 1.00 0.00 H new ATOM 961 N LEU A 63 84.783 4.935 0.819 1.00 0.00 N ATOM 962 CA LEU A 63 86.080 4.185 0.880 1.00 0.00 C ATOM 963 C LEU A 63 86.500 3.747 -0.525 1.00 0.00 C ATOM 964 O LEU A 63 85.681 3.446 -1.371 1.00 0.00 O ATOM 965 CB LEU A 63 85.937 2.938 1.764 1.00 0.00 C ATOM 966 CG LEU A 63 85.534 3.312 3.199 1.00 0.00 C ATOM 967 CD1 LEU A 63 86.565 4.267 3.816 1.00 0.00 C ATOM 968 CD2 LEU A 63 84.135 3.958 3.223 1.00 0.00 C ATOM 0 H LEU A 63 83.942 4.358 0.840 1.00 0.00 H new ATOM 0 HA LEU A 63 86.836 4.846 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 63 85.189 2.271 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 63 86.880 2.391 1.780 1.00 0.00 H new ATOM 0 HG LEU A 63 85.504 2.397 3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 63 86.263 4.521 4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 63 87.542 3.783 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 63 86.623 5.176 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 63 83.870 4.215 4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 63 84.141 4.861 2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 63 83.403 3.256 2.824 1.00 0.00 H new ATOM 980 N TRP A 64 87.787 3.721 -0.770 1.00 0.00 N ATOM 981 CA TRP A 64 88.320 3.316 -2.112 1.00 0.00 C ATOM 982 C TRP A 64 89.407 2.252 -1.889 1.00 0.00 C ATOM 983 O TRP A 64 90.039 2.214 -0.851 1.00 0.00 O ATOM 984 CB TRP A 64 88.849 4.604 -2.819 1.00 0.00 C ATOM 985 CG TRP A 64 90.329 4.580 -3.110 1.00 0.00 C ATOM 986 CD1 TRP A 64 91.316 4.343 -2.211 1.00 0.00 C ATOM 987 CD2 TRP A 64 90.997 4.855 -4.378 1.00 0.00 C ATOM 988 NE1 TRP A 64 92.538 4.414 -2.856 1.00 0.00 N ATOM 989 CE2 TRP A 64 92.395 4.736 -4.190 1.00 0.00 C ATOM 990 CE3 TRP A 64 90.528 5.182 -5.663 1.00 0.00 C ATOM 991 CZ2 TRP A 64 93.295 4.938 -5.237 1.00 0.00 C ATOM 992 CZ3 TRP A 64 91.431 5.389 -6.719 1.00 0.00 C ATOM 993 CH2 TRP A 64 92.812 5.267 -6.507 1.00 0.00 C ATOM 0 H TRP A 64 88.503 3.967 -0.087 1.00 0.00 H new ATOM 0 HA TRP A 64 87.561 2.873 -2.757 1.00 0.00 H new ATOM 0 HB2 TRP A 64 88.307 4.741 -3.755 1.00 0.00 H new ATOM 0 HB3 TRP A 64 88.626 5.468 -2.192 1.00 0.00 H new ATOM 0 HD1 TRP A 64 91.172 4.133 -1.162 1.00 0.00 H new ATOM 0 HE1 TRP A 64 93.436 4.248 -2.401 1.00 0.00 H new ATOM 0 HE3 TRP A 64 89.466 5.275 -5.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 94.357 4.841 -5.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 91.059 5.644 -7.701 1.00 0.00 H new ATOM 0 HH2 TRP A 64 93.501 5.427 -7.323 1.00 0.00 H new ATOM 1004 N TRP A 65 89.608 1.368 -2.838 1.00 0.00 N ATOM 1005 CA TRP A 65 90.642 0.294 -2.675 1.00 0.00 C ATOM 1006 C TRP A 65 91.788 0.563 -3.648 1.00 0.00 C ATOM 1007 O TRP A 65 91.733 0.166 -4.786 1.00 0.00 O ATOM 1008 CB TRP A 65 90.015 -1.067 -2.996 1.00 0.00 C ATOM 1009 CG TRP A 65 90.879 -2.183 -2.480 1.00 0.00 C ATOM 1010 CD1 TRP A 65 92.139 -2.055 -1.987 1.00 0.00 C ATOM 1011 CD2 TRP A 65 90.561 -3.602 -2.408 1.00 0.00 C ATOM 1012 NE1 TRP A 65 92.601 -3.303 -1.613 1.00 0.00 N ATOM 1013 CE2 TRP A 65 91.667 -4.289 -1.856 1.00 0.00 C ATOM 1014 CE3 TRP A 65 89.427 -4.351 -2.765 1.00 0.00 C ATOM 1015 CZ2 TRP A 65 91.648 -5.672 -1.667 1.00 0.00 C ATOM 1016 CZ3 TRP A 65 89.404 -5.741 -2.576 1.00 0.00 C ATOM 1017 CH2 TRP A 65 90.513 -6.400 -2.029 1.00 0.00 C ATOM 0 H TRP A 65 89.099 1.344 -3.722 1.00 0.00 H new ATOM 0 HA TRP A 65 91.015 0.290 -1.651 1.00 0.00 H new ATOM 0 HB2 TRP A 65 89.023 -1.131 -2.548 1.00 0.00 H new ATOM 0 HB3 TRP A 65 89.886 -1.169 -4.074 1.00 0.00 H new ATOM 0 HD1 TRP A 65 92.689 -1.130 -1.901 1.00 0.00 H new ATOM 0 HE1 TRP A 65 93.521 -3.474 -1.207 1.00 0.00 H new ATOM 0 HE3 TRP A 65 88.567 -3.853 -3.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 92.505 -6.175 -1.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 88.527 -6.306 -2.854 1.00 0.00 H new ATOM 0 HH2 TRP A 65 90.490 -7.470 -1.888 1.00 0.00 H new ATOM 1028 N GLU A 66 92.815 1.241 -3.216 1.00 0.00 N ATOM 1029 CA GLU A 66 93.951 1.544 -4.137 1.00 0.00 C ATOM 1030 C GLU A 66 94.509 0.262 -4.748 1.00 0.00 C ATOM 1031 O GLU A 66 95.092 0.287 -5.809 1.00 0.00 O ATOM 1032 CB GLU A 66 95.056 2.259 -3.377 1.00 0.00 C ATOM 1033 CG GLU A 66 95.377 1.481 -2.104 1.00 0.00 C ATOM 1034 CD GLU A 66 96.455 2.218 -1.307 1.00 0.00 C ATOM 1035 OE1 GLU A 66 96.580 3.418 -1.485 1.00 0.00 O ATOM 1036 OE2 GLU A 66 97.137 1.568 -0.531 1.00 0.00 O ATOM 0 H GLU A 66 92.919 1.599 -2.266 1.00 0.00 H new ATOM 0 HA GLU A 66 93.580 2.184 -4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 66 95.946 2.343 -4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 66 94.745 3.273 -3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 66 94.477 1.368 -1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 66 95.720 0.478 -2.356 1.00 0.00 H new ATOM 1043 N LYS A 67 94.331 -0.864 -4.120 1.00 0.00 N ATOM 1044 CA LYS A 67 94.852 -2.108 -4.746 1.00 0.00 C ATOM 1045 C LYS A 67 94.014 -2.334 -5.997 1.00 0.00 C ATOM 1046 O LYS A 67 94.289 -3.186 -6.819 1.00 0.00 O ATOM 1047 CB LYS A 67 94.682 -3.311 -3.814 1.00 0.00 C ATOM 1048 CG LYS A 67 95.260 -3.013 -2.430 1.00 0.00 C ATOM 1049 CD LYS A 67 96.753 -2.696 -2.536 1.00 0.00 C ATOM 1050 CE LYS A 67 97.413 -2.831 -1.153 1.00 0.00 C ATOM 1051 NZ LYS A 67 97.884 -4.233 -0.965 1.00 0.00 N ATOM 0 H LYS A 67 93.860 -0.978 -3.223 1.00 0.00 H new ATOM 0 HA LYS A 67 95.915 -2.006 -4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 67 93.625 -3.561 -3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 67 95.181 -4.181 -4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 67 94.733 -2.170 -1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 67 95.109 -3.869 -1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 67 97.229 -3.374 -3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 67 96.893 -1.685 -2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 67 98.251 -2.139 -1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 67 96.702 -2.566 -0.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 98.331 -4.327 -0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 97.074 -4.883 -1.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 98.576 -4.469 -1.705 1.00 0.00 H new ATOM 1065 N LYS A 68 92.963 -1.566 -6.110 1.00 0.00 N ATOM 1066 CA LYS A 68 92.026 -1.681 -7.258 1.00 0.00 C ATOM 1067 C LYS A 68 91.729 -0.280 -7.801 1.00 0.00 C ATOM 1068 O LYS A 68 91.134 -0.125 -8.848 1.00 0.00 O ATOM 1069 CB LYS A 68 90.706 -2.323 -6.775 1.00 0.00 C ATOM 1070 CG LYS A 68 90.969 -3.374 -5.681 1.00 0.00 C ATOM 1071 CD LYS A 68 91.522 -4.652 -6.319 1.00 0.00 C ATOM 1072 CE LYS A 68 92.144 -5.555 -5.244 1.00 0.00 C ATOM 1073 NZ LYS A 68 92.032 -6.978 -5.671 1.00 0.00 N ATOM 0 H LYS A 68 92.711 -0.845 -5.434 1.00 0.00 H new ATOM 0 HA LYS A 68 92.472 -2.297 -8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 68 90.042 -1.550 -6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 68 90.196 -2.790 -7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 68 91.678 -2.984 -4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 68 90.046 -3.593 -5.144 1.00 0.00 H new ATOM 0 HD2 LYS A 68 90.723 -5.185 -6.834 1.00 0.00 H new ATOM 0 HD3 LYS A 68 92.271 -4.398 -7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 68 93.190 -5.290 -5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 68 91.636 -5.408 -4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 92.452 -7.592 -4.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 91.030 -7.225 -5.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 92.536 -7.111 -6.571 1.00 0.00 H new ATOM 1087 N ARG A 69 92.105 0.744 -7.075 1.00 0.00 N ATOM 1088 CA ARG A 69 91.806 2.128 -7.530 1.00 0.00 C ATOM 1089 C ARG A 69 90.315 2.192 -7.831 1.00 0.00 C ATOM 1090 O ARG A 69 89.895 2.678 -8.862 1.00 0.00 O ATOM 1091 CB ARG A 69 92.605 2.468 -8.799 1.00 0.00 C ATOM 1092 CG ARG A 69 94.089 2.729 -8.463 1.00 0.00 C ATOM 1093 CD ARG A 69 94.862 1.410 -8.453 1.00 0.00 C ATOM 1094 NE ARG A 69 95.081 0.954 -9.855 1.00 0.00 N ATOM 1095 CZ ARG A 69 95.638 -0.204 -10.086 1.00 0.00 C ATOM 1096 NH1 ARG A 69 95.828 -0.602 -11.315 1.00 0.00 N ATOM 1097 NH2 ARG A 69 96.005 -0.962 -9.089 1.00 0.00 N ATOM 0 H ARG A 69 92.605 0.677 -6.189 1.00 0.00 H new ATOM 0 HA ARG A 69 92.084 2.846 -6.759 1.00 0.00 H new ATOM 0 HB2 ARG A 69 92.529 1.647 -9.512 1.00 0.00 H new ATOM 0 HB3 ARG A 69 92.176 3.348 -9.278 1.00 0.00 H new ATOM 0 HG2 ARG A 69 94.523 3.409 -9.197 1.00 0.00 H new ATOM 0 HG3 ARG A 69 94.170 3.215 -7.491 1.00 0.00 H new ATOM 0 HD2 ARG A 69 95.819 1.540 -7.948 1.00 0.00 H new ATOM 0 HD3 ARG A 69 94.307 0.655 -7.896 1.00 0.00 H new ATOM 0 HE ARG A 69 94.796 1.547 -10.634 1.00 0.00 H new ATOM 0 HH11 ARG A 69 95.541 -0.008 -12.093 1.00 0.00 H new ATOM 0 HH12 ARG A 69 96.263 -1.506 -11.497 1.00 0.00 H new ATOM 0 HH21 ARG A 69 95.857 -0.650 -8.129 1.00 0.00 H new ATOM 0 HH22 ARG A 69 96.440 -1.867 -9.269 1.00 0.00 H new ATOM 1111 N THR A 70 89.515 1.666 -6.936 1.00 0.00 N ATOM 1112 CA THR A 70 88.039 1.642 -7.149 1.00 0.00 C ATOM 1113 C THR A 70 87.350 2.526 -6.124 1.00 0.00 C ATOM 1114 O THR A 70 87.979 3.215 -5.358 1.00 0.00 O ATOM 1115 CB THR A 70 87.553 0.196 -6.968 1.00 0.00 C ATOM 1116 OG1 THR A 70 86.266 0.050 -7.549 1.00 0.00 O ATOM 1117 CG2 THR A 70 87.490 -0.177 -5.477 1.00 0.00 C ATOM 0 H THR A 70 89.827 1.249 -6.059 1.00 0.00 H new ATOM 0 HA THR A 70 87.804 2.009 -8.148 1.00 0.00 H new ATOM 0 HB THR A 70 88.259 -0.471 -7.463 1.00 0.00 H new ATOM 0 HG1 THR A 70 85.958 -0.873 -7.434 1.00 0.00 H new ATOM 0 HG21 THR A 70 87.143 -1.205 -5.373 1.00 0.00 H new ATOM 0 HG22 THR A 70 88.482 -0.083 -5.036 1.00 0.00 H new ATOM 0 HG23 THR A 70 86.800 0.492 -4.963 1.00 0.00 H new ATOM 1125 N TRP A 71 86.052 2.453 -6.087 1.00 0.00 N ATOM 1126 CA TRP A 71 85.254 3.216 -5.098 1.00 0.00 C ATOM 1127 C TRP A 71 84.388 2.173 -4.406 1.00 0.00 C ATOM 1128 O TRP A 71 83.455 1.646 -4.958 1.00 0.00 O ATOM 1129 CB TRP A 71 84.407 4.289 -5.806 1.00 0.00 C ATOM 1130 CG TRP A 71 84.180 3.904 -7.236 1.00 0.00 C ATOM 1131 CD1 TRP A 71 83.469 2.834 -7.654 1.00 0.00 C ATOM 1132 CD2 TRP A 71 84.660 4.568 -8.441 1.00 0.00 C ATOM 1133 NE1 TRP A 71 83.483 2.794 -9.025 1.00 0.00 N ATOM 1134 CE2 TRP A 71 84.202 3.842 -9.565 1.00 0.00 C ATOM 1135 CE3 TRP A 71 85.439 5.716 -8.667 1.00 0.00 C ATOM 1136 CZ2 TRP A 71 84.505 4.239 -10.867 1.00 0.00 C ATOM 1137 CZ3 TRP A 71 85.747 6.120 -9.977 1.00 0.00 C ATOM 1138 CH2 TRP A 71 85.281 5.383 -11.074 1.00 0.00 C ATOM 0 H TRP A 71 85.497 1.878 -6.721 1.00 0.00 H new ATOM 0 HA TRP A 71 85.874 3.753 -4.380 1.00 0.00 H new ATOM 0 HB2 TRP A 71 83.451 4.404 -5.296 1.00 0.00 H new ATOM 0 HB3 TRP A 71 84.912 5.254 -5.757 1.00 0.00 H new ATOM 0 HD1 TRP A 71 82.970 2.124 -7.012 1.00 0.00 H new ATOM 0 HE1 TRP A 71 83.018 2.076 -9.580 1.00 0.00 H new ATOM 0 HE3 TRP A 71 85.803 6.291 -7.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 84.143 3.667 -11.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 86.346 7.004 -10.139 1.00 0.00 H new ATOM 0 HH2 TRP A 71 85.521 5.699 -12.079 1.00 0.00 H new ATOM 1149 N LEU A 72 84.738 1.808 -3.226 1.00 0.00 N ATOM 1150 CA LEU A 72 83.982 0.734 -2.554 1.00 0.00 C ATOM 1151 C LEU A 72 82.529 1.135 -2.342 1.00 0.00 C ATOM 1152 O LEU A 72 82.137 1.627 -1.305 1.00 0.00 O ATOM 1153 CB LEU A 72 84.665 0.413 -1.237 1.00 0.00 C ATOM 1154 CG LEU A 72 86.094 -0.063 -1.536 1.00 0.00 C ATOM 1155 CD1 LEU A 72 86.924 -0.033 -0.255 1.00 0.00 C ATOM 1156 CD2 LEU A 72 86.079 -1.488 -2.133 1.00 0.00 C ATOM 0 H LEU A 72 85.513 2.202 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 72 83.973 -0.156 -3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 72 84.685 1.294 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 72 84.112 -0.359 -0.701 1.00 0.00 H new ATOM 0 HG LEU A 72 86.543 0.608 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 72 87.938 -0.371 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 72 86.956 0.985 0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 72 86.472 -0.691 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.101 -1.807 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 72 85.620 -2.175 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 72 85.506 -1.488 -3.060 1.00 0.00 H new ATOM 1168 N LEU A 73 81.727 0.881 -3.340 1.00 0.00 N ATOM 1169 CA LEU A 73 80.261 1.171 -3.265 1.00 0.00 C ATOM 1170 C LEU A 73 79.519 -0.149 -3.495 1.00 0.00 C ATOM 1171 O LEU A 73 78.316 -0.185 -3.660 1.00 0.00 O ATOM 1172 CB LEU A 73 79.845 2.228 -4.318 1.00 0.00 C ATOM 1173 CG LEU A 73 80.355 1.871 -5.740 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.301 1.077 -6.523 1.00 0.00 C ATOM 1175 CD2 LEU A 73 80.637 3.157 -6.524 1.00 0.00 C ATOM 0 H LEU A 73 82.031 0.475 -4.225 1.00 0.00 H new ATOM 0 HA LEU A 73 80.009 1.585 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 73 78.759 2.314 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 73 80.237 3.202 -4.027 1.00 0.00 H new ATOM 0 HG LEU A 73 81.258 1.272 -5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 73 79.686 0.841 -7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 73 79.074 0.152 -5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.393 1.673 -6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.995 2.904 -7.522 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.721 3.742 -6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 73 81.396 3.741 -6.004 1.00 0.00 H new ATOM 1187 N LYS A 74 80.250 -1.239 -3.512 1.00 0.00 N ATOM 1188 CA LYS A 74 79.633 -2.577 -3.735 1.00 0.00 C ATOM 1189 C LYS A 74 78.952 -3.063 -2.448 1.00 0.00 C ATOM 1190 O LYS A 74 79.215 -4.151 -1.976 1.00 0.00 O ATOM 1191 CB LYS A 74 80.712 -3.610 -4.142 1.00 0.00 C ATOM 1192 CG LYS A 74 81.808 -3.005 -5.058 1.00 0.00 C ATOM 1193 CD LYS A 74 81.370 -2.992 -6.544 1.00 0.00 C ATOM 1194 CE LYS A 74 80.550 -1.745 -6.865 1.00 0.00 C ATOM 1195 NZ LYS A 74 80.586 -1.497 -8.334 1.00 0.00 N ATOM 0 H LYS A 74 81.261 -1.254 -3.379 1.00 0.00 H new ATOM 0 HA LYS A 74 78.898 -2.482 -4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 74 81.178 -4.015 -3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 74 80.234 -4.444 -4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 74 82.031 -1.988 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 74 82.727 -3.581 -4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 74 82.250 -3.027 -7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 74 80.782 -3.884 -6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 74 79.521 -1.877 -6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 74 80.951 -0.884 -6.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 79.704 -1.032 -8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 81.394 -0.884 -8.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 80.685 -2.402 -8.837 1.00 0.00 H new ATOM 1209 N THR A 75 78.074 -2.285 -1.884 1.00 0.00 N ATOM 1210 CA THR A 75 77.384 -2.737 -0.643 1.00 0.00 C ATOM 1211 C THR A 75 76.638 -4.041 -0.941 1.00 0.00 C ATOM 1212 O THR A 75 76.072 -4.664 -0.065 1.00 0.00 O ATOM 1213 CB THR A 75 76.387 -1.663 -0.191 1.00 0.00 C ATOM 1214 OG1 THR A 75 75.698 -1.156 -1.325 1.00 0.00 O ATOM 1215 CG2 THR A 75 77.133 -0.522 0.508 1.00 0.00 C ATOM 0 H THR A 75 77.804 -1.362 -2.224 1.00 0.00 H new ATOM 0 HA THR A 75 78.114 -2.902 0.150 1.00 0.00 H new ATOM 0 HB THR A 75 75.673 -2.102 0.506 1.00 0.00 H new ATOM 0 HG1 THR A 75 75.059 -0.470 -1.040 1.00 0.00 H new ATOM 0 HG21 THR A 75 76.419 0.238 0.827 1.00 0.00 H new ATOM 0 HG22 THR A 75 77.661 -0.912 1.378 1.00 0.00 H new ATOM 0 HG23 THR A 75 77.850 -0.079 -0.183 1.00 0.00 H new ATOM 1223 N HIS A 76 76.626 -4.445 -2.183 1.00 0.00 N ATOM 1224 CA HIS A 76 75.909 -5.695 -2.569 1.00 0.00 C ATOM 1225 C HIS A 76 76.472 -6.905 -1.816 1.00 0.00 C ATOM 1226 O HIS A 76 75.730 -7.767 -1.389 1.00 0.00 O ATOM 1227 CB HIS A 76 76.068 -5.921 -4.074 1.00 0.00 C ATOM 1228 CG HIS A 76 75.549 -4.723 -4.821 1.00 0.00 C ATOM 1229 ND1 HIS A 76 76.348 -3.985 -5.681 1.00 0.00 N ATOM 1230 CD2 HIS A 76 74.314 -4.125 -4.850 1.00 0.00 C ATOM 1231 CE1 HIS A 76 75.590 -2.995 -6.188 1.00 0.00 C ATOM 1232 NE2 HIS A 76 74.342 -3.034 -5.714 1.00 0.00 N ATOM 0 H HIS A 76 77.086 -3.959 -2.953 1.00 0.00 H new ATOM 0 HA HIS A 76 74.856 -5.585 -2.311 1.00 0.00 H new ATOM 0 HB2 HIS A 76 77.117 -6.088 -4.318 1.00 0.00 H new ATOM 0 HB3 HIS A 76 75.524 -6.815 -4.377 1.00 0.00 H new ATOM 0 HD2 HIS A 76 73.451 -4.451 -4.288 1.00 0.00 H new ATOM 0 HE1 HIS A 76 75.948 -2.259 -6.892 1.00 0.00 H new ATOM 0 HE2 HIS A 76 73.574 -2.400 -5.937 1.00 0.00 H new ATOM 1240 N TRP A 77 77.775 -6.987 -1.660 1.00 0.00 N ATOM 1241 CA TRP A 77 78.389 -8.155 -0.946 1.00 0.00 C ATOM 1242 C TRP A 77 79.192 -7.656 0.266 1.00 0.00 C ATOM 1243 O TRP A 77 78.982 -6.551 0.725 1.00 0.00 O ATOM 1244 CB TRP A 77 79.287 -8.920 -1.920 1.00 0.00 C ATOM 1245 CG TRP A 77 80.078 -7.983 -2.775 1.00 0.00 C ATOM 1246 CD1 TRP A 77 80.903 -7.011 -2.319 1.00 0.00 C ATOM 1247 CD2 TRP A 77 80.148 -7.931 -4.229 1.00 0.00 C ATOM 1248 NE1 TRP A 77 81.471 -6.366 -3.403 1.00 0.00 N ATOM 1249 CE2 TRP A 77 81.036 -6.896 -4.602 1.00 0.00 C ATOM 1250 CE3 TRP A 77 79.531 -8.674 -5.251 1.00 0.00 C ATOM 1251 CZ2 TRP A 77 81.303 -6.608 -5.941 1.00 0.00 C ATOM 1252 CZ3 TRP A 77 79.797 -8.388 -6.600 1.00 0.00 C ATOM 1253 CH2 TRP A 77 80.681 -7.356 -6.944 1.00 0.00 C ATOM 0 H TRP A 77 78.441 -6.292 -1.998 1.00 0.00 H new ATOM 0 HA TRP A 77 77.610 -8.826 -0.585 1.00 0.00 H new ATOM 0 HB2 TRP A 77 79.964 -9.567 -1.363 1.00 0.00 H new ATOM 0 HB3 TRP A 77 78.676 -9.565 -2.552 1.00 0.00 H new ATOM 0 HD1 TRP A 77 81.087 -6.778 -1.281 1.00 0.00 H new ATOM 0 HE1 TRP A 77 82.131 -5.592 -3.326 1.00 0.00 H new ATOM 0 HE3 TRP A 77 78.847 -9.471 -4.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 81.986 -5.812 -6.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 79.318 -8.966 -7.376 1.00 0.00 H new ATOM 0 HH2 TRP A 77 80.881 -7.139 -7.983 1.00 0.00 H new ATOM 1264 N THR A 78 80.086 -8.465 0.817 1.00 0.00 N ATOM 1265 CA THR A 78 80.862 -8.028 2.026 1.00 0.00 C ATOM 1266 C THR A 78 82.368 -8.035 1.729 1.00 0.00 C ATOM 1267 O THR A 78 82.803 -8.082 0.595 1.00 0.00 O ATOM 1268 CB THR A 78 80.539 -9.014 3.185 1.00 0.00 C ATOM 1269 OG1 THR A 78 79.493 -9.879 2.767 1.00 0.00 O ATOM 1270 CG2 THR A 78 80.087 -8.279 4.461 1.00 0.00 C ATOM 0 H THR A 78 80.306 -9.402 0.479 1.00 0.00 H new ATOM 0 HA THR A 78 80.581 -7.012 2.303 1.00 0.00 H new ATOM 0 HB THR A 78 81.448 -9.569 3.418 1.00 0.00 H new ATOM 0 HG1 THR A 78 79.280 -10.508 3.488 1.00 0.00 H new ATOM 0 HG21 THR A 78 79.872 -9.007 5.243 1.00 0.00 H new ATOM 0 HG22 THR A 78 80.880 -7.610 4.796 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.189 -7.699 4.248 1.00 0.00 H new ATOM 1278 N LEU A 79 83.151 -7.989 2.769 1.00 0.00 N ATOM 1279 CA LEU A 79 84.634 -7.992 2.625 1.00 0.00 C ATOM 1280 C LEU A 79 85.058 -9.384 2.185 1.00 0.00 C ATOM 1281 O LEU A 79 85.659 -9.581 1.152 1.00 0.00 O ATOM 1282 CB LEU A 79 85.288 -7.735 3.988 1.00 0.00 C ATOM 1283 CG LEU A 79 85.074 -6.296 4.483 1.00 0.00 C ATOM 1284 CD1 LEU A 79 83.585 -5.949 4.499 1.00 0.00 C ATOM 1285 CD2 LEU A 79 85.625 -6.183 5.914 1.00 0.00 C ATOM 0 H LEU A 79 82.819 -7.949 3.733 1.00 0.00 H new ATOM 0 HA LEU A 79 84.932 -7.225 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 79 84.880 -8.432 4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 79 86.357 -7.936 3.918 1.00 0.00 H new ATOM 0 HG LEU A 79 85.589 -5.608 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 79 83.454 -4.926 4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 79 83.179 -6.040 3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 79 83.059 -6.633 5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 79 85.481 -5.167 6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 79 85.097 -6.881 6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 79 86.689 -6.421 5.914 1.00 0.00 H new ATOM 1297 N ASP A 80 84.732 -10.346 2.996 1.00 0.00 N ATOM 1298 CA ASP A 80 85.081 -11.759 2.702 1.00 0.00 C ATOM 1299 C ASP A 80 84.722 -12.086 1.269 1.00 0.00 C ATOM 1300 O ASP A 80 85.521 -12.589 0.503 1.00 0.00 O ATOM 1301 CB ASP A 80 84.251 -12.643 3.615 1.00 0.00 C ATOM 1302 CG ASP A 80 84.601 -14.113 3.373 1.00 0.00 C ATOM 1303 OD1 ASP A 80 83.795 -14.959 3.723 1.00 0.00 O ATOM 1304 OD2 ASP A 80 85.669 -14.367 2.841 1.00 0.00 O ATOM 0 H ASP A 80 84.226 -10.208 3.871 1.00 0.00 H new ATOM 0 HA ASP A 80 86.148 -11.919 2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 80 84.438 -12.382 4.657 1.00 0.00 H new ATOM 0 HB3 ASP A 80 83.190 -12.477 3.430 1.00 0.00 H new ATOM 1309 N LYS A 81 83.507 -11.814 0.915 1.00 0.00 N ATOM 1310 CA LYS A 81 83.037 -12.107 -0.456 1.00 0.00 C ATOM 1311 C LYS A 81 84.082 -11.644 -1.467 1.00 0.00 C ATOM 1312 O LYS A 81 84.542 -12.399 -2.300 1.00 0.00 O ATOM 1313 CB LYS A 81 81.733 -11.354 -0.704 1.00 0.00 C ATOM 1314 CG LYS A 81 80.828 -11.426 0.535 1.00 0.00 C ATOM 1315 CD LYS A 81 80.700 -12.867 1.024 1.00 0.00 C ATOM 1316 CE LYS A 81 79.621 -12.951 2.110 1.00 0.00 C ATOM 1317 NZ LYS A 81 79.211 -14.372 2.295 1.00 0.00 N ATOM 0 H LYS A 81 82.808 -11.394 1.528 1.00 0.00 H new ATOM 0 HA LYS A 81 82.877 -13.180 -0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 81 81.947 -10.313 -0.945 1.00 0.00 H new ATOM 0 HB3 LYS A 81 81.217 -11.781 -1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 81 81.239 -10.802 1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 81 79.842 -11.029 0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 81 80.443 -13.522 0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 81 81.655 -13.213 1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 81 80.002 -12.546 3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 81 78.759 -12.346 1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 78.479 -14.429 3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 78.832 -14.743 1.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 80.036 -14.937 2.582 1.00 0.00 H new ATOM 1331 N TYR A 82 84.451 -10.400 -1.395 1.00 0.00 N ATOM 1332 CA TYR A 82 85.461 -9.874 -2.349 1.00 0.00 C ATOM 1333 C TYR A 82 86.835 -10.459 -2.004 1.00 0.00 C ATOM 1334 O TYR A 82 87.578 -10.871 -2.872 1.00 0.00 O ATOM 1335 CB TYR A 82 85.494 -8.336 -2.260 1.00 0.00 C ATOM 1336 CG TYR A 82 85.866 -7.743 -3.607 1.00 0.00 C ATOM 1337 CD1 TYR A 82 84.964 -6.913 -4.287 1.00 0.00 C ATOM 1338 CD2 TYR A 82 87.114 -8.029 -4.173 1.00 0.00 C ATOM 1339 CE1 TYR A 82 85.311 -6.372 -5.531 1.00 0.00 C ATOM 1340 CE2 TYR A 82 87.461 -7.487 -5.416 1.00 0.00 C ATOM 1341 CZ TYR A 82 86.559 -6.659 -6.095 1.00 0.00 C ATOM 1342 OH TYR A 82 86.902 -6.126 -7.321 1.00 0.00 O ATOM 0 H TYR A 82 84.098 -9.724 -0.717 1.00 0.00 H new ATOM 0 HA TYR A 82 85.199 -10.163 -3.367 1.00 0.00 H new ATOM 0 HB2 TYR A 82 84.520 -7.961 -1.946 1.00 0.00 H new ATOM 0 HB3 TYR A 82 86.215 -8.023 -1.505 1.00 0.00 H new ATOM 0 HD1 TYR A 82 84.001 -6.691 -3.851 1.00 0.00 H new ATOM 0 HD2 TYR A 82 87.810 -8.668 -3.650 1.00 0.00 H new ATOM 0 HE1 TYR A 82 84.615 -5.733 -6.055 1.00 0.00 H new ATOM 0 HE2 TYR A 82 88.424 -7.707 -5.851 1.00 0.00 H new ATOM 0 HH TYR A 82 87.803 -6.424 -7.567 1.00 0.00 H new ATOM 1352 N GLY A 83 87.172 -10.497 -0.737 1.00 0.00 N ATOM 1353 CA GLY A 83 88.498 -11.051 -0.311 1.00 0.00 C ATOM 1354 C GLY A 83 89.242 -9.986 0.491 1.00 0.00 C ATOM 1355 O GLY A 83 90.376 -10.166 0.887 1.00 0.00 O ATOM 0 H GLY A 83 86.582 -10.166 0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 83 88.356 -11.947 0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 83 89.083 -11.343 -1.183 1.00 0.00 H new ATOM 1359 N ILE A 84 88.603 -8.876 0.732 1.00 0.00 N ATOM 1360 CA ILE A 84 89.254 -7.788 1.508 1.00 0.00 C ATOM 1361 C ILE A 84 89.584 -8.294 2.909 1.00 0.00 C ATOM 1362 O ILE A 84 89.043 -9.279 3.369 1.00 0.00 O ATOM 1363 CB ILE A 84 88.301 -6.596 1.601 1.00 0.00 C ATOM 1364 CG1 ILE A 84 88.019 -6.049 0.189 1.00 0.00 C ATOM 1365 CG2 ILE A 84 88.941 -5.499 2.456 1.00 0.00 C ATOM 1366 CD1 ILE A 84 86.668 -5.330 0.170 1.00 0.00 C ATOM 0 H ILE A 84 87.652 -8.676 0.422 1.00 0.00 H new ATOM 0 HA ILE A 84 90.173 -7.479 1.011 1.00 0.00 H new ATOM 0 HB ILE A 84 87.364 -6.915 2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 84 88.811 -5.362 -0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 84 88.017 -6.865 -0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 84 88.263 -4.648 2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 84 89.139 -5.886 3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 84 89.878 -5.181 1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 84 86.475 -4.945 -0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 84 85.880 -6.029 0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 84 86.686 -4.502 0.879 1.00 0.00 H new ATOM 1378 N GLN A 85 90.474 -7.631 3.588 1.00 0.00 N ATOM 1379 CA GLN A 85 90.850 -8.071 4.959 1.00 0.00 C ATOM 1380 C GLN A 85 91.758 -7.013 5.595 1.00 0.00 C ATOM 1381 O GLN A 85 91.820 -5.884 5.151 1.00 0.00 O ATOM 1382 CB GLN A 85 91.598 -9.420 4.873 1.00 0.00 C ATOM 1383 CG GLN A 85 91.336 -10.267 6.138 1.00 0.00 C ATOM 1384 CD GLN A 85 90.079 -11.116 5.947 1.00 0.00 C ATOM 1385 OE1 GLN A 85 90.056 -12.282 6.286 1.00 0.00 O ATOM 1386 NE2 GLN A 85 89.028 -10.569 5.413 1.00 0.00 N ATOM 0 H GLN A 85 90.960 -6.800 3.252 1.00 0.00 H new ATOM 0 HA GLN A 85 89.955 -8.194 5.569 1.00 0.00 H new ATOM 0 HB2 GLN A 85 91.272 -9.967 3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 85 92.668 -9.243 4.762 1.00 0.00 H new ATOM 0 HG2 GLN A 85 92.193 -10.911 6.339 1.00 0.00 H new ATOM 0 HG3 GLN A 85 91.217 -9.616 7.004 1.00 0.00 H new ATOM 0 HE21 GLN A 85 89.051 -9.589 5.130 1.00 0.00 H new ATOM 0 HE22 GLN A 85 88.180 -11.119 5.277 1.00 0.00 H new ATOM 1395 N ALA A 86 92.466 -7.379 6.624 1.00 0.00 N ATOM 1396 CA ALA A 86 93.377 -6.412 7.294 1.00 0.00 C ATOM 1397 C ALA A 86 94.593 -6.162 6.409 1.00 0.00 C ATOM 1398 O ALA A 86 95.245 -5.142 6.503 1.00 0.00 O ATOM 1399 CB ALA A 86 93.844 -7.008 8.617 1.00 0.00 C ATOM 0 H ALA A 86 92.453 -8.313 7.033 1.00 0.00 H new ATOM 0 HA ALA A 86 92.851 -5.473 7.468 1.00 0.00 H new ATOM 0 HB1 ALA A 86 94.513 -6.307 9.116 1.00 0.00 H new ATOM 0 HB2 ALA A 86 92.981 -7.202 9.254 1.00 0.00 H new ATOM 0 HB3 ALA A 86 94.373 -7.942 8.429 1.00 0.00 H new ATOM 1405 N ASP A 87 94.904 -7.087 5.551 1.00 0.00 N ATOM 1406 CA ASP A 87 96.077 -6.904 4.665 1.00 0.00 C ATOM 1407 C ASP A 87 95.712 -5.892 3.588 1.00 0.00 C ATOM 1408 O ASP A 87 96.554 -5.395 2.866 1.00 0.00 O ATOM 1409 CB ASP A 87 96.438 -8.241 4.023 1.00 0.00 C ATOM 1410 CG ASP A 87 95.194 -8.846 3.371 1.00 0.00 C ATOM 1411 OD1 ASP A 87 94.239 -8.114 3.170 1.00 0.00 O ATOM 1412 OD2 ASP A 87 95.216 -10.032 3.084 1.00 0.00 O ATOM 0 H ASP A 87 94.395 -7.962 5.426 1.00 0.00 H new ATOM 0 HA ASP A 87 96.933 -6.544 5.236 1.00 0.00 H new ATOM 0 HB2 ASP A 87 97.220 -8.099 3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 87 96.835 -8.922 4.775 1.00 0.00 H new ATOM 1417 N ALA A 88 94.450 -5.581 3.487 1.00 0.00 N ATOM 1418 CA ALA A 88 93.984 -4.597 2.476 1.00 0.00 C ATOM 1419 C ALA A 88 93.794 -3.246 3.172 1.00 0.00 C ATOM 1420 O ALA A 88 92.933 -3.094 4.011 1.00 0.00 O ATOM 1421 CB ALA A 88 92.648 -5.103 1.911 1.00 0.00 C ATOM 0 H ALA A 88 93.712 -5.974 4.072 1.00 0.00 H new ATOM 0 HA ALA A 88 94.703 -4.481 1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 88 92.279 -4.400 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 88 92.795 -6.079 1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 88 91.921 -5.189 2.718 1.00 0.00 H new ATOM 1427 N LYS A 89 94.592 -2.264 2.843 1.00 0.00 N ATOM 1428 CA LYS A 89 94.447 -0.928 3.503 1.00 0.00 C ATOM 1429 C LYS A 89 93.571 -0.024 2.645 1.00 0.00 C ATOM 1430 O LYS A 89 93.892 0.300 1.518 1.00 0.00 O ATOM 1431 CB LYS A 89 95.819 -0.269 3.707 1.00 0.00 C ATOM 1432 CG LYS A 89 96.861 -1.303 4.154 1.00 0.00 C ATOM 1433 CD LYS A 89 96.600 -1.754 5.602 1.00 0.00 C ATOM 1434 CE LYS A 89 97.227 -3.129 5.825 1.00 0.00 C ATOM 1435 NZ LYS A 89 98.693 -3.059 5.566 1.00 0.00 N ATOM 0 H LYS A 89 95.336 -2.327 2.148 1.00 0.00 H new ATOM 0 HA LYS A 89 93.982 -1.074 4.478 1.00 0.00 H new ATOM 0 HB2 LYS A 89 96.143 0.202 2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 89 95.740 0.521 4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 89 96.831 -2.166 3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 89 97.860 -0.875 4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 89 97.022 -1.032 6.301 1.00 0.00 H new ATOM 0 HD3 LYS A 89 95.528 -1.795 5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 89 97.044 -3.462 6.847 1.00 0.00 H new ATOM 0 HE3 LYS A 89 96.765 -3.862 5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 99.155 -3.906 5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 98.863 -3.012 4.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 99.086 -2.210 6.021 1.00 0.00 H new ATOM 1449 N LEU A 90 92.464 0.383 3.189 1.00 0.00 N ATOM 1450 CA LEU A 90 91.525 1.275 2.452 1.00 0.00 C ATOM 1451 C LEU A 90 91.819 2.727 2.814 1.00 0.00 C ATOM 1452 O LEU A 90 92.666 3.018 3.629 1.00 0.00 O ATOM 1453 CB LEU A 90 90.082 0.926 2.821 1.00 0.00 C ATOM 1454 CG LEU A 90 89.935 -0.590 2.896 1.00 0.00 C ATOM 1455 CD1 LEU A 90 88.471 -0.949 3.155 1.00 0.00 C ATOM 1456 CD2 LEU A 90 90.395 -1.221 1.577 1.00 0.00 C ATOM 0 H LEU A 90 92.162 0.132 4.130 1.00 0.00 H new ATOM 0 HA LEU A 90 91.658 1.137 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 90 89.820 1.376 3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 90 89.396 1.333 2.079 1.00 0.00 H new ATOM 0 HG LEU A 90 90.551 -0.972 3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 90 88.366 -2.033 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 90 88.149 -0.506 4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 90 87.853 -0.564 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 90 90.288 -2.304 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 90 89.784 -0.840 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 90 91.440 -0.969 1.398 1.00 0.00 H new ATOM 1468 N GLN A 91 91.133 3.638 2.188 1.00 0.00 N ATOM 1469 CA GLN A 91 91.339 5.091 2.462 1.00 0.00 C ATOM 1470 C GLN A 91 89.964 5.748 2.592 1.00 0.00 C ATOM 1471 O GLN A 91 88.980 5.222 2.120 1.00 0.00 O ATOM 1472 CB GLN A 91 92.060 5.761 1.283 1.00 0.00 C ATOM 1473 CG GLN A 91 93.328 4.985 0.876 1.00 0.00 C ATOM 1474 CD GLN A 91 93.647 5.261 -0.587 1.00 0.00 C ATOM 1475 OE1 GLN A 91 94.468 4.593 -1.185 1.00 0.00 O ATOM 1476 NE2 GLN A 91 93.028 6.230 -1.187 1.00 0.00 N ATOM 0 H GLN A 91 90.423 3.436 1.484 1.00 0.00 H new ATOM 0 HA GLN A 91 91.933 5.204 3.369 1.00 0.00 H new ATOM 0 HB2 GLN A 91 91.383 5.825 0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 91 92.329 6.782 1.554 1.00 0.00 H new ATOM 0 HG2 GLN A 91 94.167 5.284 1.504 1.00 0.00 H new ATOM 0 HG3 GLN A 91 93.178 3.916 1.031 1.00 0.00 H new ATOM 0 HE21 GLN A 91 92.340 6.787 -0.680 1.00 0.00 H new ATOM 0 HE22 GLN A 91 93.229 6.435 -2.166 1.00 0.00 H new ATOM 1485 N PHE A 92 89.897 6.910 3.188 1.00 0.00 N ATOM 1486 CA PHE A 92 88.593 7.638 3.314 1.00 0.00 C ATOM 1487 C PHE A 92 88.762 8.982 2.608 1.00 0.00 C ATOM 1488 O PHE A 92 89.215 9.950 3.182 1.00 0.00 O ATOM 1489 CB PHE A 92 88.263 7.828 4.799 1.00 0.00 C ATOM 1490 CG PHE A 92 87.060 8.728 4.981 1.00 0.00 C ATOM 1491 CD1 PHE A 92 85.773 8.179 4.965 1.00 0.00 C ATOM 1492 CD2 PHE A 92 87.230 10.102 5.203 1.00 0.00 C ATOM 1493 CE1 PHE A 92 84.657 9.000 5.173 1.00 0.00 C ATOM 1494 CE2 PHE A 92 86.115 10.923 5.404 1.00 0.00 C ATOM 1495 CZ PHE A 92 84.829 10.373 5.393 1.00 0.00 C ATOM 0 H PHE A 92 90.697 7.393 3.598 1.00 0.00 H new ATOM 0 HA PHE A 92 87.772 7.082 2.861 1.00 0.00 H new ATOM 0 HB2 PHE A 92 88.068 6.859 5.258 1.00 0.00 H new ATOM 0 HB3 PHE A 92 89.123 8.257 5.313 1.00 0.00 H new ATOM 0 HD1 PHE A 92 85.640 7.121 4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 92 88.223 10.527 5.219 1.00 0.00 H new ATOM 0 HE1 PHE A 92 83.664 8.575 5.164 1.00 0.00 H new ATOM 0 HE2 PHE A 92 86.247 11.982 5.568 1.00 0.00 H new ATOM 0 HZ PHE A 92 83.969 11.006 5.554 1.00 0.00 H new ATOM 1505 N THR A 93 88.437 9.020 1.340 1.00 0.00 N ATOM 1506 CA THR A 93 88.610 10.278 0.529 1.00 0.00 C ATOM 1507 C THR A 93 87.241 10.877 0.177 1.00 0.00 C ATOM 1508 O THR A 93 86.231 10.207 0.233 1.00 0.00 O ATOM 1509 CB THR A 93 89.377 9.944 -0.778 1.00 0.00 C ATOM 1510 OG1 THR A 93 88.712 10.525 -1.894 1.00 0.00 O ATOM 1511 CG2 THR A 93 89.452 8.426 -0.981 1.00 0.00 C ATOM 0 H THR A 93 88.055 8.229 0.822 1.00 0.00 H new ATOM 0 HA THR A 93 89.173 11.004 1.115 1.00 0.00 H new ATOM 0 HB THR A 93 90.386 10.349 -0.696 1.00 0.00 H new ATOM 0 HG1 THR A 93 89.203 10.311 -2.715 1.00 0.00 H new ATOM 0 HG21 THR A 93 89.993 8.208 -1.902 1.00 0.00 H new ATOM 0 HG22 THR A 93 89.973 7.972 -0.138 1.00 0.00 H new ATOM 0 HG23 THR A 93 88.444 8.018 -1.047 1.00 0.00 H new ATOM 1642 N SER B 547 54.992 27.247 12.742 1.00 0.00 N ATOM 1643 CA SER B 547 54.951 26.014 13.572 1.00 0.00 C ATOM 1644 C SER B 547 56.266 25.939 14.336 1.00 0.00 C ATOM 1645 O SER B 547 57.317 25.858 13.752 1.00 0.00 O ATOM 1646 CB SER B 547 54.794 24.787 12.668 1.00 0.00 C ATOM 1647 OG SER B 547 53.411 24.531 12.462 1.00 0.00 O ATOM 0 HA SER B 547 54.108 26.036 14.263 1.00 0.00 H new ATOM 0 HB2 SER B 547 55.290 24.958 11.713 1.00 0.00 H new ATOM 0 HB3 SER B 547 55.272 23.921 13.125 1.00 0.00 H new ATOM 0 HG SER B 547 53.306 23.748 11.883 1.00 0.00 H new ATOM 1653 N LEU B 548 56.226 26.006 15.628 1.00 0.00 N ATOM 1654 CA LEU B 548 57.492 25.981 16.405 1.00 0.00 C ATOM 1655 C LEU B 548 58.283 24.711 16.107 1.00 0.00 C ATOM 1656 O LEU B 548 57.749 23.630 16.128 1.00 0.00 O ATOM 1657 CB LEU B 548 57.163 26.064 17.914 1.00 0.00 C ATOM 1658 CG LEU B 548 57.341 27.511 18.414 1.00 0.00 C ATOM 1659 CD1 LEU B 548 56.229 28.397 17.848 1.00 0.00 C ATOM 1660 CD2 LEU B 548 57.292 27.554 19.939 1.00 0.00 C ATOM 0 H LEU B 548 55.374 26.077 16.184 1.00 0.00 H new ATOM 0 HA LEU B 548 58.105 26.835 16.117 1.00 0.00 H new ATOM 0 HB2 LEU B 548 56.139 25.733 18.090 1.00 0.00 H new ATOM 0 HB3 LEU B 548 57.815 25.394 18.474 1.00 0.00 H new ATOM 0 HG LEU B 548 58.310 27.879 18.076 1.00 0.00 H new ATOM 0 HD11 LEU B 548 56.360 29.418 18.205 1.00 0.00 H new ATOM 0 HD12 LEU B 548 56.273 28.385 16.759 1.00 0.00 H new ATOM 0 HD13 LEU B 548 55.261 28.020 18.176 1.00 0.00 H new ATOM 0 HD21 LEU B 548 57.419 28.582 20.278 1.00 0.00 H new ATOM 0 HD22 LEU B 548 56.330 27.175 20.283 1.00 0.00 H new ATOM 0 HD23 LEU B 548 58.092 26.936 20.346 1.00 0.00 H new ATOM 1672 N CYS B 549 59.572 24.832 15.880 1.00 0.00 N ATOM 1673 CA CYS B 549 60.383 23.615 15.626 1.00 0.00 C ATOM 1674 C CYS B 549 60.721 23.050 16.991 1.00 0.00 C ATOM 1675 O CYS B 549 61.554 23.561 17.712 1.00 0.00 O ATOM 1676 CB CYS B 549 61.672 24.004 14.871 1.00 0.00 C ATOM 1677 SG CYS B 549 63.035 22.833 15.224 1.00 0.00 S ATOM 0 H CYS B 549 60.085 25.714 15.861 1.00 0.00 H new ATOM 0 HA CYS B 549 59.849 22.885 15.018 1.00 0.00 H new ATOM 0 HB2 CYS B 549 61.476 24.023 13.799 1.00 0.00 H new ATOM 0 HB3 CYS B 549 61.973 25.012 15.158 1.00 0.00 H new ATOM 0 HG CYS B 549 64.148 23.306 14.748 1.00 0.00 H new ATOM 1682 N SER B 550 60.047 22.005 17.355 1.00 0.00 N ATOM 1683 CA SER B 550 60.274 21.391 18.682 1.00 0.00 C ATOM 1684 C SER B 550 61.766 21.200 18.899 1.00 0.00 C ATOM 1685 O SER B 550 62.466 20.623 18.091 1.00 0.00 O ATOM 1686 CB SER B 550 59.523 20.068 18.764 1.00 0.00 C ATOM 1687 OG SER B 550 60.117 19.246 19.760 1.00 0.00 O ATOM 0 H SER B 550 59.340 21.544 16.783 1.00 0.00 H new ATOM 0 HA SER B 550 59.897 22.043 19.470 1.00 0.00 H new ATOM 0 HB2 SER B 550 58.475 20.247 19.003 1.00 0.00 H new ATOM 0 HB3 SER B 550 59.548 19.563 17.798 1.00 0.00 H new ATOM 0 HG SER B 550 59.633 18.396 19.814 1.00 0.00 H new ATOM 1693 N GLY B 551 62.252 21.740 19.975 1.00 0.00 N ATOM 1694 CA GLY B 551 63.710 21.681 20.285 1.00 0.00 C ATOM 1695 C GLY B 551 64.244 23.096 20.125 1.00 0.00 C ATOM 1696 O GLY B 551 65.072 23.563 20.881 1.00 0.00 O ATOM 0 H GLY B 551 61.691 22.232 20.671 1.00 0.00 H new ATOM 0 HA2 GLY B 551 63.876 21.316 21.298 1.00 0.00 H new ATOM 0 HA3 GLY B 551 64.222 20.995 19.611 1.00 0.00 H new ATOM 1700 N CYS B 552 63.727 23.787 19.151 1.00 0.00 N ATOM 1701 CA CYS B 552 64.122 25.194 18.906 1.00 0.00 C ATOM 1702 C CYS B 552 63.013 26.074 19.466 1.00 0.00 C ATOM 1703 O CYS B 552 63.239 27.152 19.977 1.00 0.00 O ATOM 1704 CB CYS B 552 64.194 25.423 17.395 1.00 0.00 C ATOM 1705 SG CYS B 552 65.807 24.925 16.758 1.00 0.00 S ATOM 0 H CYS B 552 63.030 23.424 18.500 1.00 0.00 H new ATOM 0 HA CYS B 552 65.084 25.419 19.367 1.00 0.00 H new ATOM 0 HB2 CYS B 552 63.408 24.855 16.897 1.00 0.00 H new ATOM 0 HB3 CYS B 552 64.017 26.475 17.172 1.00 0.00 H new ATOM 0 HG CYS B 552 65.674 23.858 16.027 1.00 0.00 H new ATOM 1710 N GLN B 553 61.807 25.608 19.334 1.00 0.00 N ATOM 1711 CA GLN B 553 60.637 26.381 19.796 1.00 0.00 C ATOM 1712 C GLN B 553 60.649 27.751 19.146 1.00 0.00 C ATOM 1713 O GLN B 553 60.600 28.782 19.784 1.00 0.00 O ATOM 1714 CB GLN B 553 60.610 26.481 21.308 1.00 0.00 C ATOM 1715 CG GLN B 553 60.403 25.077 21.875 1.00 0.00 C ATOM 1716 CD GLN B 553 59.012 24.541 21.519 1.00 0.00 C ATOM 1717 OE1 GLN B 553 58.084 24.646 22.296 1.00 0.00 O ATOM 1718 NE2 GLN B 553 58.839 23.967 20.360 1.00 0.00 N ATOM 0 H GLN B 553 61.583 24.705 18.916 1.00 0.00 H new ATOM 0 HA GLN B 553 59.726 25.862 19.498 1.00 0.00 H new ATOM 0 HB2 GLN B 553 61.543 26.907 21.678 1.00 0.00 H new ATOM 0 HB3 GLN B 553 59.807 27.144 21.631 1.00 0.00 H new ATOM 0 HG2 GLN B 553 61.167 24.406 21.482 1.00 0.00 H new ATOM 0 HG3 GLN B 553 60.523 25.097 22.958 1.00 0.00 H new ATOM 0 HE21 GLN B 553 59.622 23.881 19.711 1.00 0.00 H new ATOM 0 HE22 GLN B 553 57.921 23.604 20.103 1.00 0.00 H new ATOM 1727 N LYS B 554 60.675 27.725 17.850 1.00 0.00 N ATOM 1728 CA LYS B 554 60.650 28.967 17.021 1.00 0.00 C ATOM 1729 C LYS B 554 59.743 28.683 15.805 1.00 0.00 C ATOM 1730 O LYS B 554 59.992 27.737 15.085 1.00 0.00 O ATOM 1731 CB LYS B 554 62.062 29.293 16.516 1.00 0.00 C ATOM 1732 CG LYS B 554 62.985 29.633 17.692 1.00 0.00 C ATOM 1733 CD LYS B 554 62.523 30.929 18.381 1.00 0.00 C ATOM 1734 CE LYS B 554 63.700 31.577 19.117 1.00 0.00 C ATOM 1735 NZ LYS B 554 64.604 32.231 18.128 1.00 0.00 N ATOM 0 H LYS B 554 60.714 26.864 17.305 1.00 0.00 H new ATOM 0 HA LYS B 554 60.284 29.808 17.610 1.00 0.00 H new ATOM 0 HB2 LYS B 554 62.463 28.443 15.965 1.00 0.00 H new ATOM 0 HB3 LYS B 554 62.022 30.133 15.822 1.00 0.00 H new ATOM 0 HG2 LYS B 554 62.987 28.813 18.410 1.00 0.00 H new ATOM 0 HG3 LYS B 554 64.009 29.748 17.337 1.00 0.00 H new ATOM 0 HD2 LYS B 554 62.120 31.621 17.641 1.00 0.00 H new ATOM 0 HD3 LYS B 554 61.719 30.711 19.084 1.00 0.00 H new ATOM 0 HE2 LYS B 554 63.334 32.312 19.834 1.00 0.00 H new ATOM 0 HE3 LYS B 554 64.247 30.824 19.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 554 65.205 32.927 18.614 1.00 0.00 H new ATOM 0 HZ2 LYS B 554 65.203 31.511 17.676 1.00 0.00 H new ATOM 0 HZ3 LYS B 554 64.035 32.712 17.403 1.00 0.00 H new ATOM 1749 N PRO B 555 58.688 29.439 15.564 1.00 0.00 N ATOM 1750 CA PRO B 555 57.791 29.141 14.411 1.00 0.00 C ATOM 1751 C PRO B 555 58.520 28.807 13.111 1.00 0.00 C ATOM 1752 O PRO B 555 59.439 29.480 12.689 1.00 0.00 O ATOM 1753 CB PRO B 555 56.987 30.433 14.281 1.00 0.00 C ATOM 1754 CG PRO B 555 57.057 31.148 15.640 1.00 0.00 C ATOM 1755 CD PRO B 555 58.293 30.611 16.395 1.00 0.00 C ATOM 0 HA PRO B 555 57.194 28.247 14.587 1.00 0.00 H new ATOM 0 HB2 PRO B 555 57.397 31.064 13.492 1.00 0.00 H new ATOM 0 HB3 PRO B 555 55.953 30.218 14.012 1.00 0.00 H new ATOM 0 HG2 PRO B 555 57.134 32.226 15.500 1.00 0.00 H new ATOM 0 HG3 PRO B 555 56.149 30.965 16.215 1.00 0.00 H new ATOM 0 HD2 PRO B 555 59.088 31.354 16.454 1.00 0.00 H new ATOM 0 HD3 PRO B 555 58.051 30.321 17.418 1.00 0.00 H new ATOM 1763 N ILE B 556 58.074 27.762 12.479 1.00 0.00 N ATOM 1764 CA ILE B 556 58.662 27.320 11.192 1.00 0.00 C ATOM 1765 C ILE B 556 57.865 27.983 10.065 1.00 0.00 C ATOM 1766 O ILE B 556 56.793 27.536 9.710 1.00 0.00 O ATOM 1767 CB ILE B 556 58.521 25.798 11.101 1.00 0.00 C ATOM 1768 CG1 ILE B 556 59.421 25.112 12.156 1.00 0.00 C ATOM 1769 CG2 ILE B 556 58.927 25.331 9.709 1.00 0.00 C ATOM 1770 CD1 ILE B 556 58.868 23.714 12.517 1.00 0.00 C ATOM 0 H ILE B 556 57.305 27.181 12.812 1.00 0.00 H new ATOM 0 HA ILE B 556 59.714 27.594 11.116 1.00 0.00 H new ATOM 0 HB ILE B 556 57.482 25.528 11.292 1.00 0.00 H new ATOM 0 HG12 ILE B 556 60.436 25.019 11.770 1.00 0.00 H new ATOM 0 HG13 ILE B 556 59.476 25.730 13.052 1.00 0.00 H new ATOM 0 HG21 ILE B 556 58.826 24.248 9.645 1.00 0.00 H new ATOM 0 HG22 ILE B 556 58.282 25.800 8.966 1.00 0.00 H new ATOM 0 HG23 ILE B 556 59.963 25.611 9.519 1.00 0.00 H new ATOM 0 HD11 ILE B 556 59.515 23.248 13.260 1.00 0.00 H new ATOM 0 HD12 ILE B 556 57.862 23.815 12.924 1.00 0.00 H new ATOM 0 HD13 ILE B 556 58.837 23.093 11.622 1.00 0.00 H new ATOM 1782 N THR B 557 58.361 29.068 9.526 1.00 0.00 N ATOM 1783 CA THR B 557 57.611 29.790 8.449 1.00 0.00 C ATOM 1784 C THR B 557 58.156 29.440 7.065 1.00 0.00 C ATOM 1785 O THR B 557 59.060 30.069 6.551 1.00 0.00 O ATOM 1786 CB THR B 557 57.737 31.289 8.699 1.00 0.00 C ATOM 1787 OG1 THR B 557 59.008 31.741 8.252 1.00 0.00 O ATOM 1788 CG2 THR B 557 57.595 31.543 10.199 1.00 0.00 C ATOM 0 H THR B 557 59.254 29.487 9.785 1.00 0.00 H new ATOM 0 HA THR B 557 56.564 29.487 8.474 1.00 0.00 H new ATOM 0 HB THR B 557 56.961 31.828 8.156 1.00 0.00 H new ATOM 0 HG1 THR B 557 59.061 31.657 7.277 1.00 0.00 H new ATOM 0 HG21 THR B 557 57.683 32.611 10.397 1.00 0.00 H new ATOM 0 HG22 THR B 557 56.621 31.190 10.537 1.00 0.00 H new ATOM 0 HG23 THR B 557 58.380 31.009 10.734 1.00 0.00 H new ATOM 1796 N GLY B 558 57.591 28.434 6.466 1.00 0.00 N ATOM 1797 CA GLY B 558 58.022 27.996 5.110 1.00 0.00 C ATOM 1798 C GLY B 558 57.612 26.538 4.954 1.00 0.00 C ATOM 1799 O GLY B 558 56.479 26.226 4.647 1.00 0.00 O ATOM 0 H GLY B 558 56.832 27.884 6.867 1.00 0.00 H new ATOM 0 HA2 GLY B 558 57.555 28.611 4.341 1.00 0.00 H new ATOM 0 HA3 GLY B 558 59.100 28.106 4.995 1.00 0.00 H new ATOM 1803 N ARG B 559 58.524 25.646 5.207 1.00 0.00 N ATOM 1804 CA ARG B 559 58.228 24.190 5.134 1.00 0.00 C ATOM 1805 C ARG B 559 58.310 23.652 6.553 1.00 0.00 C ATOM 1806 O ARG B 559 59.051 24.167 7.366 1.00 0.00 O ATOM 1807 CB ARG B 559 59.284 23.503 4.252 1.00 0.00 C ATOM 1808 CG ARG B 559 58.851 23.560 2.778 1.00 0.00 C ATOM 1809 CD ARG B 559 57.925 22.379 2.453 1.00 0.00 C ATOM 1810 NE ARG B 559 57.154 22.662 1.194 1.00 0.00 N ATOM 1811 CZ ARG B 559 56.352 23.690 1.090 1.00 0.00 C ATOM 1812 NH1 ARG B 559 55.786 23.954 -0.056 1.00 0.00 N ATOM 1813 NH2 ARG B 559 56.076 24.425 2.133 1.00 0.00 N ATOM 0 H ARG B 559 59.485 25.870 5.467 1.00 0.00 H new ATOM 0 HA ARG B 559 57.243 24.003 4.705 1.00 0.00 H new ATOM 0 HB2 ARG B 559 60.249 23.994 4.376 1.00 0.00 H new ATOM 0 HB3 ARG B 559 59.412 22.466 4.563 1.00 0.00 H new ATOM 0 HG2 ARG B 559 58.337 24.500 2.578 1.00 0.00 H new ATOM 0 HG3 ARG B 559 59.728 23.532 2.132 1.00 0.00 H new ATOM 0 HD2 ARG B 559 58.512 21.468 2.333 1.00 0.00 H new ATOM 0 HD3 ARG B 559 57.236 22.208 3.280 1.00 0.00 H new ATOM 0 HE ARG B 559 57.259 22.034 0.397 1.00 0.00 H new ATOM 0 HH11 ARG B 559 55.970 23.360 -0.865 1.00 0.00 H new ATOM 0 HH12 ARG B 559 55.160 24.754 -0.143 1.00 0.00 H new ATOM 0 HH21 ARG B 559 56.487 24.200 3.039 1.00 0.00 H new ATOM 0 HH22 ARG B 559 55.449 25.225 2.042 1.00 0.00 H new ATOM 1827 N CYS B 560 57.563 22.636 6.878 1.00 0.00 N ATOM 1828 CA CYS B 560 57.630 22.100 8.270 1.00 0.00 C ATOM 1829 C CYS B 560 57.457 20.595 8.295 1.00 0.00 C ATOM 1830 O CYS B 560 56.497 20.046 7.794 1.00 0.00 O ATOM 1831 CB CYS B 560 56.547 22.746 9.131 1.00 0.00 C ATOM 1832 SG CYS B 560 54.924 22.449 8.387 1.00 0.00 S ATOM 0 H CYS B 560 56.916 22.157 6.252 1.00 0.00 H new ATOM 0 HA CYS B 560 58.615 22.340 8.669 1.00 0.00 H new ATOM 0 HB2 CYS B 560 56.577 22.335 10.140 1.00 0.00 H new ATOM 0 HB3 CYS B 560 56.728 23.817 9.218 1.00 0.00 H new ATOM 0 HG CYS B 560 54.930 21.302 7.776 1.00 0.00 H new ATOM 1838 N ILE B 561 58.388 19.932 8.914 1.00 0.00 N ATOM 1839 CA ILE B 561 58.318 18.462 9.037 1.00 0.00 C ATOM 1840 C ILE B 561 57.604 18.135 10.327 1.00 0.00 C ATOM 1841 O ILE B 561 57.722 18.830 11.315 1.00 0.00 O ATOM 1842 CB ILE B 561 59.734 17.903 9.079 1.00 0.00 C ATOM 1843 CG1 ILE B 561 60.379 18.216 7.744 1.00 0.00 C ATOM 1844 CG2 ILE B 561 59.735 16.381 9.295 1.00 0.00 C ATOM 1845 CD1 ILE B 561 61.769 17.589 7.685 1.00 0.00 C ATOM 0 H ILE B 561 59.208 20.358 9.346 1.00 0.00 H new ATOM 0 HA ILE B 561 57.784 18.026 8.192 1.00 0.00 H new ATOM 0 HB ILE B 561 60.278 18.353 9.909 1.00 0.00 H new ATOM 0 HG12 ILE B 561 59.762 17.832 6.932 1.00 0.00 H new ATOM 0 HG13 ILE B 561 60.450 19.295 7.608 1.00 0.00 H new ATOM 0 HG21 ILE B 561 60.762 16.018 9.319 1.00 0.00 H new ATOM 0 HG22 ILE B 561 59.245 16.147 10.240 1.00 0.00 H new ATOM 0 HG23 ILE B 561 59.198 15.897 8.479 1.00 0.00 H new ATOM 0 HD11 ILE B 561 62.230 17.816 6.724 1.00 0.00 H new ATOM 0 HD12 ILE B 561 62.385 17.994 8.488 1.00 0.00 H new ATOM 0 HD13 ILE B 561 61.686 16.508 7.801 1.00 0.00 H new ATOM 1857 N THR B 562 56.875 17.068 10.313 1.00 0.00 N ATOM 1858 CA THR B 562 56.129 16.629 11.527 1.00 0.00 C ATOM 1859 C THR B 562 56.603 15.248 11.922 1.00 0.00 C ATOM 1860 O THR B 562 56.965 14.433 11.096 1.00 0.00 O ATOM 1861 CB THR B 562 54.624 16.585 11.268 1.00 0.00 C ATOM 1862 OG1 THR B 562 54.215 17.784 10.625 1.00 0.00 O ATOM 1863 CG2 THR B 562 53.892 16.437 12.606 1.00 0.00 C ATOM 0 H THR B 562 56.757 16.464 9.499 1.00 0.00 H new ATOM 0 HA THR B 562 56.319 17.345 12.326 1.00 0.00 H new ATOM 0 HB THR B 562 54.385 15.738 10.624 1.00 0.00 H new ATOM 0 HG1 THR B 562 53.271 17.714 10.372 1.00 0.00 H new ATOM 0 HG21 THR B 562 52.817 16.405 12.431 1.00 0.00 H new ATOM 0 HG22 THR B 562 54.208 15.515 13.094 1.00 0.00 H new ATOM 0 HG23 THR B 562 54.130 17.286 13.247 1.00 0.00 H new ATOM 1871 N ALA B 563 56.617 14.997 13.190 1.00 0.00 N ATOM 1872 CA ALA B 563 57.077 13.691 13.719 1.00 0.00 C ATOM 1873 C ALA B 563 55.969 13.086 14.569 1.00 0.00 C ATOM 1874 O ALA B 563 54.831 12.991 14.155 1.00 0.00 O ATOM 1875 CB ALA B 563 58.320 13.926 14.561 1.00 0.00 C ATOM 0 H ALA B 563 56.320 15.661 13.905 1.00 0.00 H new ATOM 0 HA ALA B 563 57.314 13.005 12.906 1.00 0.00 H new ATOM 0 HB1 ALA B 563 58.674 12.975 14.960 1.00 0.00 H new ATOM 0 HB2 ALA B 563 59.099 14.373 13.943 1.00 0.00 H new ATOM 0 HB3 ALA B 563 58.080 14.598 15.385 1.00 0.00 H new ATOM 1881 N MET B 564 56.296 12.682 15.756 1.00 0.00 N ATOM 1882 CA MET B 564 55.285 12.085 16.670 1.00 0.00 C ATOM 1883 C MET B 564 54.258 13.149 17.048 1.00 0.00 C ATOM 1884 O MET B 564 53.665 13.100 18.104 1.00 0.00 O ATOM 1885 CB MET B 564 56.001 11.607 17.928 1.00 0.00 C ATOM 1886 CG MET B 564 57.375 11.047 17.552 1.00 0.00 C ATOM 1887 SD MET B 564 58.007 10.032 18.911 1.00 0.00 S ATOM 1888 CE MET B 564 59.398 9.295 18.018 1.00 0.00 C ATOM 0 H MET B 564 57.238 12.740 16.143 1.00 0.00 H new ATOM 0 HA MET B 564 54.779 11.251 16.183 1.00 0.00 H new ATOM 0 HB2 MET B 564 56.113 12.432 18.631 1.00 0.00 H new ATOM 0 HB3 MET B 564 55.408 10.841 18.428 1.00 0.00 H new ATOM 0 HG2 MET B 564 57.300 10.450 16.643 1.00 0.00 H new ATOM 0 HG3 MET B 564 58.067 11.863 17.341 1.00 0.00 H new ATOM 0 HE1 MET B 564 59.939 8.619 18.681 1.00 0.00 H new ATOM 0 HE2 MET B 564 59.025 8.739 17.158 1.00 0.00 H new ATOM 0 HE3 MET B 564 60.070 10.083 17.676 1.00 0.00 H new ATOM 1898 N ALA B 565 54.111 14.110 16.181 1.00 0.00 N ATOM 1899 CA ALA B 565 53.193 15.276 16.362 1.00 0.00 C ATOM 1900 C ALA B 565 54.074 16.489 16.602 1.00 0.00 C ATOM 1901 O ALA B 565 53.619 17.616 16.624 1.00 0.00 O ATOM 1902 CB ALA B 565 52.224 15.109 17.536 1.00 0.00 C ATOM 0 H ALA B 565 54.622 14.136 15.299 1.00 0.00 H new ATOM 0 HA ALA B 565 52.571 15.376 15.472 1.00 0.00 H new ATOM 0 HB1 ALA B 565 51.587 15.991 17.610 1.00 0.00 H new ATOM 0 HB2 ALA B 565 51.605 14.227 17.374 1.00 0.00 H new ATOM 0 HB3 ALA B 565 52.789 14.991 18.460 1.00 0.00 H new ATOM 1908 N LYS B 566 55.350 16.257 16.765 1.00 0.00 N ATOM 1909 CA LYS B 566 56.288 17.381 16.983 1.00 0.00 C ATOM 1910 C LYS B 566 56.624 17.983 15.624 1.00 0.00 C ATOM 1911 O LYS B 566 56.628 17.293 14.628 1.00 0.00 O ATOM 1912 CB LYS B 566 57.567 16.853 17.633 1.00 0.00 C ATOM 1913 CG LYS B 566 57.225 16.038 18.890 1.00 0.00 C ATOM 1914 CD LYS B 566 56.670 16.962 20.011 1.00 0.00 C ATOM 1915 CE LYS B 566 55.138 16.848 20.100 1.00 0.00 C ATOM 1916 NZ LYS B 566 54.779 15.681 20.955 1.00 0.00 N ATOM 0 H LYS B 566 55.778 15.331 16.755 1.00 0.00 H new ATOM 0 HA LYS B 566 55.840 18.132 17.633 1.00 0.00 H new ATOM 0 HB2 LYS B 566 58.114 16.231 16.925 1.00 0.00 H new ATOM 0 HB3 LYS B 566 58.220 17.685 17.896 1.00 0.00 H new ATOM 0 HG2 LYS B 566 56.488 15.273 18.644 1.00 0.00 H new ATOM 0 HG3 LYS B 566 58.115 15.520 19.247 1.00 0.00 H new ATOM 0 HD2 LYS B 566 57.116 16.690 20.968 1.00 0.00 H new ATOM 0 HD3 LYS B 566 56.952 17.996 19.810 1.00 0.00 H new ATOM 0 HE2 LYS B 566 54.718 17.763 20.518 1.00 0.00 H new ATOM 0 HE3 LYS B 566 54.712 16.728 19.104 1.00 0.00 H new ATOM 0 HZ1 LYS B 566 53.744 15.601 21.017 1.00 0.00 H new ATOM 0 HZ2 LYS B 566 55.169 14.812 20.538 1.00 0.00 H new ATOM 0 HZ3 LYS B 566 55.174 15.814 21.908 1.00 0.00 H new ATOM 1930 N LYS B 567 56.920 19.252 15.567 1.00 0.00 N ATOM 1931 CA LYS B 567 57.267 19.883 14.259 1.00 0.00 C ATOM 1932 C LYS B 567 58.782 19.906 14.151 1.00 0.00 C ATOM 1933 O LYS B 567 59.469 19.521 15.077 1.00 0.00 O ATOM 1934 CB LYS B 567 56.694 21.298 14.203 1.00 0.00 C ATOM 1935 CG LYS B 567 55.305 21.323 14.865 1.00 0.00 C ATOM 1936 CD LYS B 567 54.350 20.329 14.174 1.00 0.00 C ATOM 1937 CE LYS B 567 54.187 20.706 12.699 1.00 0.00 C ATOM 1938 NZ LYS B 567 52.944 20.081 12.165 1.00 0.00 N ATOM 0 H LYS B 567 56.937 19.881 16.370 1.00 0.00 H new ATOM 0 HA LYS B 567 56.844 19.321 13.426 1.00 0.00 H new ATOM 0 HB2 LYS B 567 57.363 21.992 14.713 1.00 0.00 H new ATOM 0 HB3 LYS B 567 56.620 21.630 13.167 1.00 0.00 H new ATOM 0 HG2 LYS B 567 55.396 21.071 15.922 1.00 0.00 H new ATOM 0 HG3 LYS B 567 54.890 22.330 14.812 1.00 0.00 H new ATOM 0 HD2 LYS B 567 54.742 19.315 14.259 1.00 0.00 H new ATOM 0 HD3 LYS B 567 53.380 20.338 14.670 1.00 0.00 H new ATOM 0 HE2 LYS B 567 54.138 21.790 12.592 1.00 0.00 H new ATOM 0 HE3 LYS B 567 55.052 20.368 12.128 1.00 0.00 H new ATOM 0 HZ1 LYS B 567 52.452 20.759 11.549 1.00 0.00 H new ATOM 0 HZ2 LYS B 567 53.190 19.231 11.618 1.00 0.00 H new ATOM 0 HZ3 LYS B 567 52.322 19.816 12.955 1.00 0.00 H new ATOM 1952 N PHE B 568 59.336 20.318 13.045 1.00 0.00 N ATOM 1953 CA PHE B 568 60.820 20.295 12.969 1.00 0.00 C ATOM 1954 C PHE B 568 61.330 21.181 11.841 1.00 0.00 C ATOM 1955 O PHE B 568 60.908 21.086 10.705 1.00 0.00 O ATOM 1956 CB PHE B 568 61.282 18.832 12.733 1.00 0.00 C ATOM 1957 CG PHE B 568 61.886 18.252 13.998 1.00 0.00 C ATOM 1958 CD1 PHE B 568 63.191 18.597 14.369 1.00 0.00 C ATOM 1959 CD2 PHE B 568 61.140 17.374 14.796 1.00 0.00 C ATOM 1960 CE1 PHE B 568 63.751 18.064 15.537 1.00 0.00 C ATOM 1961 CE2 PHE B 568 61.700 16.842 15.964 1.00 0.00 C ATOM 1962 CZ PHE B 568 63.006 17.187 16.334 1.00 0.00 C ATOM 0 H PHE B 568 58.845 20.658 12.218 1.00 0.00 H new ATOM 0 HA PHE B 568 61.227 20.678 13.905 1.00 0.00 H new ATOM 0 HB2 PHE B 568 60.435 18.224 12.416 1.00 0.00 H new ATOM 0 HB3 PHE B 568 62.015 18.802 11.927 1.00 0.00 H new ATOM 0 HD1 PHE B 568 63.766 19.274 13.755 1.00 0.00 H new ATOM 0 HD2 PHE B 568 60.133 17.108 14.510 1.00 0.00 H new ATOM 0 HE1 PHE B 568 64.758 18.330 15.823 1.00 0.00 H new ATOM 0 HE2 PHE B 568 61.125 16.166 16.579 1.00 0.00 H new ATOM 0 HZ PHE B 568 63.438 16.776 17.234 1.00 0.00 H new ATOM 1972 N HIS B 569 62.294 21.991 12.153 1.00 0.00 N ATOM 1973 CA HIS B 569 62.930 22.848 11.119 1.00 0.00 C ATOM 1974 C HIS B 569 63.303 21.903 9.951 1.00 0.00 C ATOM 1975 O HIS B 569 64.145 21.045 10.127 1.00 0.00 O ATOM 1976 CB HIS B 569 64.217 23.411 11.726 1.00 0.00 C ATOM 1977 CG HIS B 569 64.032 24.751 12.366 1.00 0.00 C ATOM 1978 ND1 HIS B 569 64.451 24.988 13.671 1.00 0.00 N ATOM 1979 CD2 HIS B 569 63.538 25.943 11.901 1.00 0.00 C ATOM 1980 CE1 HIS B 569 64.209 26.285 13.938 1.00 0.00 C ATOM 1981 NE2 HIS B 569 63.652 26.912 12.895 1.00 0.00 N ATOM 0 H HIS B 569 62.675 22.099 13.093 1.00 0.00 H new ATOM 0 HA HIS B 569 62.283 23.659 10.785 1.00 0.00 H new ATOM 0 HB2 HIS B 569 64.597 22.710 12.469 1.00 0.00 H new ATOM 0 HB3 HIS B 569 64.974 23.490 10.946 1.00 0.00 H new ATOM 0 HD2 HIS B 569 63.125 26.105 10.917 1.00 0.00 H new ATOM 0 HE1 HIS B 569 64.437 26.762 14.880 1.00 0.00 H new ATOM 0 HE2 HIS B 569 63.371 27.891 12.840 1.00 0.00 H new ATOM 1988 N PRO B 570 62.685 22.003 8.799 1.00 0.00 N ATOM 1989 CA PRO B 570 63.007 21.075 7.676 1.00 0.00 C ATOM 1990 C PRO B 570 64.513 20.845 7.453 1.00 0.00 C ATOM 1991 O PRO B 570 64.895 20.027 6.640 1.00 0.00 O ATOM 1992 CB PRO B 570 62.343 21.783 6.493 1.00 0.00 C ATOM 1993 CG PRO B 570 61.230 22.661 7.074 1.00 0.00 C ATOM 1994 CD PRO B 570 61.630 23.015 8.512 1.00 0.00 C ATOM 0 HA PRO B 570 62.651 20.061 7.855 1.00 0.00 H new ATOM 0 HB2 PRO B 570 63.068 22.387 5.947 1.00 0.00 H new ATOM 0 HB3 PRO B 570 61.936 21.059 5.787 1.00 0.00 H new ATOM 0 HG2 PRO B 570 61.103 23.564 6.477 1.00 0.00 H new ATOM 0 HG3 PRO B 570 60.277 22.132 7.060 1.00 0.00 H new ATOM 0 HD2 PRO B 570 62.010 24.034 8.591 1.00 0.00 H new ATOM 0 HD3 PRO B 570 60.789 22.934 9.201 1.00 0.00 H new ATOM 2002 N GLU B 571 65.370 21.534 8.175 1.00 0.00 N ATOM 2003 CA GLU B 571 66.847 21.323 8.008 1.00 0.00 C ATOM 2004 C GLU B 571 67.401 20.677 9.282 1.00 0.00 C ATOM 2005 O GLU B 571 68.019 19.636 9.273 1.00 0.00 O ATOM 2006 CB GLU B 571 67.512 22.688 7.799 1.00 0.00 C ATOM 2007 CG GLU B 571 66.591 23.561 6.949 1.00 0.00 C ATOM 2008 CD GLU B 571 67.384 24.725 6.349 1.00 0.00 C ATOM 2009 OE1 GLU B 571 68.223 24.469 5.502 1.00 0.00 O ATOM 2010 OE2 GLU B 571 67.136 25.851 6.747 1.00 0.00 O ATOM 0 H GLU B 571 65.110 22.232 8.872 1.00 0.00 H new ATOM 0 HA GLU B 571 67.047 20.677 7.153 1.00 0.00 H new ATOM 0 HB2 GLU B 571 67.703 23.166 8.760 1.00 0.00 H new ATOM 0 HB3 GLU B 571 68.477 22.566 7.306 1.00 0.00 H new ATOM 0 HG2 GLU B 571 66.144 22.966 6.153 1.00 0.00 H new ATOM 0 HG3 GLU B 571 65.773 23.943 7.559 1.00 0.00 H new ATOM 2017 N HIS B 572 67.134 21.293 10.378 1.00 0.00 N ATOM 2018 CA HIS B 572 67.579 20.769 11.703 1.00 0.00 C ATOM 2019 C HIS B 572 67.259 19.278 11.794 1.00 0.00 C ATOM 2020 O HIS B 572 67.752 18.572 12.652 1.00 0.00 O ATOM 2021 CB HIS B 572 66.762 21.541 12.733 1.00 0.00 C ATOM 2022 CG HIS B 572 67.441 21.703 14.050 1.00 0.00 C ATOM 2023 ND1 HIS B 572 66.898 22.520 15.049 1.00 0.00 N ATOM 2024 CD2 HIS B 572 68.592 21.172 14.571 1.00 0.00 C ATOM 2025 CE1 HIS B 572 67.732 22.442 16.108 1.00 0.00 C ATOM 2026 NE2 HIS B 572 68.774 21.639 15.868 1.00 0.00 N ATOM 0 H HIS B 572 66.610 22.167 10.426 1.00 0.00 H new ATOM 0 HA HIS B 572 68.651 20.891 11.860 1.00 0.00 H new ATOM 0 HB2 HIS B 572 66.530 22.528 12.332 1.00 0.00 H new ATOM 0 HB3 HIS B 572 65.812 21.028 12.886 1.00 0.00 H new ATOM 0 HD2 HIS B 572 69.256 20.495 14.054 1.00 0.00 H new ATOM 0 HE1 HIS B 572 67.576 22.966 17.039 1.00 0.00 H new ATOM 0 HE2 HIS B 572 69.541 21.416 16.503 1.00 0.00 H new ATOM 2033 N PHE B 573 66.425 18.810 10.910 1.00 0.00 N ATOM 2034 CA PHE B 573 66.029 17.373 10.903 1.00 0.00 C ATOM 2035 C PHE B 573 66.464 16.762 9.583 1.00 0.00 C ATOM 2036 O PHE B 573 65.678 16.183 8.860 1.00 0.00 O ATOM 2037 CB PHE B 573 64.515 17.263 11.034 1.00 0.00 C ATOM 2038 CG PHE B 573 64.135 15.822 11.282 1.00 0.00 C ATOM 2039 CD1 PHE B 573 63.582 15.054 10.249 1.00 0.00 C ATOM 2040 CD2 PHE B 573 64.340 15.253 12.544 1.00 0.00 C ATOM 2041 CE1 PHE B 573 63.234 13.719 10.480 1.00 0.00 C ATOM 2042 CE2 PHE B 573 63.991 13.917 12.775 1.00 0.00 C ATOM 2043 CZ PHE B 573 63.439 13.150 11.743 1.00 0.00 C ATOM 0 H PHE B 573 65.992 19.373 10.178 1.00 0.00 H new ATOM 0 HA PHE B 573 66.501 16.850 11.735 1.00 0.00 H new ATOM 0 HB2 PHE B 573 64.164 17.889 11.854 1.00 0.00 H new ATOM 0 HB3 PHE B 573 64.033 17.626 10.126 1.00 0.00 H new ATOM 0 HD1 PHE B 573 63.424 15.493 9.275 1.00 0.00 H new ATOM 0 HD2 PHE B 573 64.768 15.845 13.340 1.00 0.00 H new ATOM 0 HE1 PHE B 573 62.807 13.127 9.684 1.00 0.00 H new ATOM 0 HE2 PHE B 573 64.148 13.478 13.749 1.00 0.00 H new ATOM 0 HZ PHE B 573 63.171 12.119 11.921 1.00 0.00 H new ATOM 2053 N VAL B 574 67.714 16.898 9.263 1.00 0.00 N ATOM 2054 CA VAL B 574 68.227 16.344 7.987 1.00 0.00 C ATOM 2055 C VAL B 574 68.750 14.919 8.235 1.00 0.00 C ATOM 2056 O VAL B 574 68.774 14.445 9.354 1.00 0.00 O ATOM 2057 CB VAL B 574 69.390 17.206 7.483 1.00 0.00 C ATOM 2058 CG1 VAL B 574 68.870 18.578 6.986 1.00 0.00 C ATOM 2059 CG2 VAL B 574 70.403 17.397 8.623 1.00 0.00 C ATOM 0 H VAL B 574 68.410 17.374 9.837 1.00 0.00 H new ATOM 0 HA VAL B 574 67.425 16.334 7.249 1.00 0.00 H new ATOM 0 HB VAL B 574 69.876 16.706 6.645 1.00 0.00 H new ATOM 0 HG11 VAL B 574 69.708 19.178 6.632 1.00 0.00 H new ATOM 0 HG12 VAL B 574 68.163 18.425 6.171 1.00 0.00 H new ATOM 0 HG13 VAL B 574 68.373 19.097 7.805 1.00 0.00 H new ATOM 0 HG21 VAL B 574 71.234 18.009 8.273 1.00 0.00 H new ATOM 0 HG22 VAL B 574 69.916 17.892 9.463 1.00 0.00 H new ATOM 0 HG23 VAL B 574 70.778 16.425 8.943 1.00 0.00 H new ATOM 2069 N CYS B 575 69.173 14.239 7.204 1.00 0.00 N ATOM 2070 CA CYS B 575 69.703 12.846 7.383 1.00 0.00 C ATOM 2071 C CYS B 575 71.043 12.933 8.073 1.00 0.00 C ATOM 2072 O CYS B 575 71.831 13.802 7.756 1.00 0.00 O ATOM 2073 CB CYS B 575 69.881 12.182 6.001 1.00 0.00 C ATOM 2074 SG CYS B 575 71.459 11.276 5.881 1.00 0.00 S ATOM 0 H CYS B 575 69.177 14.583 6.244 1.00 0.00 H new ATOM 0 HA CYS B 575 69.009 12.253 7.978 1.00 0.00 H new ATOM 0 HB2 CYS B 575 69.054 11.496 5.818 1.00 0.00 H new ATOM 0 HB3 CYS B 575 69.840 12.945 5.224 1.00 0.00 H new ATOM 0 HG CYS B 575 72.124 11.697 4.846 1.00 0.00 H new ATOM 2079 N ALA B 576 71.357 12.037 8.983 1.00 0.00 N ATOM 2080 CA ALA B 576 72.707 12.156 9.587 1.00 0.00 C ATOM 2081 C ALA B 576 73.687 11.312 8.759 1.00 0.00 C ATOM 2082 O ALA B 576 74.221 10.313 9.193 1.00 0.00 O ATOM 2083 CB ALA B 576 72.647 11.622 11.026 1.00 0.00 C ATOM 0 H ALA B 576 70.769 11.272 9.314 1.00 0.00 H new ATOM 0 HA ALA B 576 73.037 13.195 9.597 1.00 0.00 H new ATOM 0 HB1 ALA B 576 73.632 11.702 11.485 1.00 0.00 H new ATOM 0 HB2 ALA B 576 71.930 12.207 11.602 1.00 0.00 H new ATOM 0 HB3 ALA B 576 72.336 10.577 11.014 1.00 0.00 H new ATOM 2089 N PHE B 577 74.011 11.847 7.618 1.00 0.00 N ATOM 2090 CA PHE B 577 75.055 11.313 6.700 1.00 0.00 C ATOM 2091 C PHE B 577 75.521 12.591 6.023 1.00 0.00 C ATOM 2092 O PHE B 577 76.642 13.045 6.142 1.00 0.00 O ATOM 2093 CB PHE B 577 74.526 10.296 5.660 1.00 0.00 C ATOM 2094 CG PHE B 577 75.685 9.457 5.077 1.00 0.00 C ATOM 2095 CD1 PHE B 577 75.426 8.190 4.521 1.00 0.00 C ATOM 2096 CD2 PHE B 577 77.016 9.931 5.083 1.00 0.00 C ATOM 2097 CE1 PHE B 577 76.468 7.422 3.989 1.00 0.00 C ATOM 2098 CE2 PHE B 577 78.047 9.153 4.550 1.00 0.00 C ATOM 2099 CZ PHE B 577 77.774 7.903 4.006 1.00 0.00 C ATOM 0 H PHE B 577 73.562 12.691 7.263 1.00 0.00 H new ATOM 0 HA PHE B 577 75.824 10.746 7.224 1.00 0.00 H new ATOM 0 HB2 PHE B 577 73.794 9.638 6.128 1.00 0.00 H new ATOM 0 HB3 PHE B 577 74.013 10.824 4.856 1.00 0.00 H new ATOM 0 HD1 PHE B 577 74.416 7.808 4.505 1.00 0.00 H new ATOM 0 HD2 PHE B 577 77.238 10.901 5.502 1.00 0.00 H new ATOM 0 HE1 PHE B 577 76.258 6.452 3.563 1.00 0.00 H new ATOM 0 HE2 PHE B 577 79.061 9.525 4.561 1.00 0.00 H new ATOM 0 HZ PHE B 577 78.575 7.305 3.597 1.00 0.00 H new ATOM 2109 N CYS B 578 74.558 13.200 5.367 1.00 0.00 N ATOM 2110 CA CYS B 578 74.743 14.507 4.694 1.00 0.00 C ATOM 2111 C CYS B 578 74.042 15.532 5.595 1.00 0.00 C ATOM 2112 O CYS B 578 73.166 15.182 6.361 1.00 0.00 O ATOM 2113 CB CYS B 578 74.089 14.480 3.298 1.00 0.00 C ATOM 2114 SG CYS B 578 72.696 13.316 3.286 1.00 0.00 S ATOM 0 H CYS B 578 73.617 12.819 5.274 1.00 0.00 H new ATOM 0 HA CYS B 578 75.796 14.749 4.552 1.00 0.00 H new ATOM 0 HB2 CYS B 578 73.742 15.478 3.031 1.00 0.00 H new ATOM 0 HB3 CYS B 578 74.824 14.187 2.549 1.00 0.00 H new ATOM 0 HG CYS B 578 73.137 12.114 3.060 1.00 0.00 H new ATOM 2119 N LEU B 579 74.432 16.774 5.543 1.00 0.00 N ATOM 2120 CA LEU B 579 73.813 17.805 6.429 1.00 0.00 C ATOM 2121 C LEU B 579 72.857 18.718 5.640 1.00 0.00 C ATOM 2122 O LEU B 579 72.534 19.786 6.121 1.00 0.00 O ATOM 2123 CB LEU B 579 74.917 18.707 7.059 1.00 0.00 C ATOM 2124 CG LEU B 579 76.301 18.018 7.101 1.00 0.00 C ATOM 2125 CD1 LEU B 579 76.227 16.687 7.877 1.00 0.00 C ATOM 2126 CD2 LEU B 579 76.863 17.797 5.674 1.00 0.00 C ATOM 0 H LEU B 579 75.159 17.125 4.920 1.00 0.00 H new ATOM 0 HA LEU B 579 73.259 17.274 7.203 1.00 0.00 H new ATOM 0 HB2 LEU B 579 74.994 19.632 6.488 1.00 0.00 H new ATOM 0 HB3 LEU B 579 74.622 18.981 8.072 1.00 0.00 H new ATOM 0 HG LEU B 579 76.988 18.681 7.628 1.00 0.00 H new ATOM 0 HD11 LEU B 579 77.212 16.220 7.893 1.00 0.00 H new ATOM 0 HD12 LEU B 579 75.899 16.879 8.899 1.00 0.00 H new ATOM 0 HD13 LEU B 579 75.517 16.020 7.388 1.00 0.00 H new ATOM 0 HD21 LEU B 579 77.837 17.311 5.738 1.00 0.00 H new ATOM 0 HD22 LEU B 579 76.179 17.166 5.107 1.00 0.00 H new ATOM 0 HD23 LEU B 579 76.970 18.759 5.172 1.00 0.00 H new ATOM 2138 N LYS B 580 72.447 18.384 4.423 1.00 0.00 N ATOM 2139 CA LYS B 580 71.583 19.372 3.672 1.00 0.00 C ATOM 2140 C LYS B 580 70.077 19.048 3.629 1.00 0.00 C ATOM 2141 O LYS B 580 69.283 19.963 3.736 1.00 0.00 O ATOM 2142 CB LYS B 580 72.132 19.474 2.220 1.00 0.00 C ATOM 2143 CG LYS B 580 71.505 18.439 1.254 1.00 0.00 C ATOM 2144 CD LYS B 580 71.923 17.015 1.641 1.00 0.00 C ATOM 2145 CE LYS B 580 71.018 16.012 0.930 1.00 0.00 C ATOM 2146 NZ LYS B 580 70.876 16.397 -0.502 1.00 0.00 N ATOM 0 H LYS B 580 72.661 17.513 3.938 1.00 0.00 H new ATOM 0 HA LYS B 580 71.645 20.312 4.220 1.00 0.00 H new ATOM 0 HB2 LYS B 580 71.945 20.477 1.838 1.00 0.00 H new ATOM 0 HB3 LYS B 580 73.213 19.336 2.237 1.00 0.00 H new ATOM 0 HG2 LYS B 580 70.419 18.524 1.277 1.00 0.00 H new ATOM 0 HG3 LYS B 580 71.819 18.651 0.232 1.00 0.00 H new ATOM 0 HD2 LYS B 580 72.963 16.842 1.366 1.00 0.00 H new ATOM 0 HD3 LYS B 580 71.853 16.884 2.721 1.00 0.00 H new ATOM 0 HE2 LYS B 580 71.438 15.009 1.008 1.00 0.00 H new ATOM 0 HE3 LYS B 580 70.039 15.986 1.409 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 70.595 15.565 -1.059 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 70.150 17.136 -0.592 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 71.784 16.760 -0.856 1.00 0.00 H new ATOM 2160 N GLN B 581 69.622 17.820 3.485 1.00 0.00 N ATOM 2161 CA GLN B 581 68.127 17.655 3.465 1.00 0.00 C ATOM 2162 C GLN B 581 67.606 16.240 3.717 1.00 0.00 C ATOM 2163 O GLN B 581 68.104 15.260 3.201 1.00 0.00 O ATOM 2164 CB GLN B 581 67.572 18.179 2.144 1.00 0.00 C ATOM 2165 CG GLN B 581 66.053 18.369 2.253 1.00 0.00 C ATOM 2166 CD GLN B 581 65.738 19.603 3.096 1.00 0.00 C ATOM 2167 OE1 GLN B 581 65.428 20.651 2.566 1.00 0.00 O ATOM 2168 NE2 GLN B 581 65.805 19.524 4.393 1.00 0.00 N ATOM 0 H GLN B 581 70.181 16.972 3.386 1.00 0.00 H new ATOM 0 HA GLN B 581 67.770 18.238 4.314 1.00 0.00 H new ATOM 0 HB2 GLN B 581 68.048 19.126 1.890 1.00 0.00 H new ATOM 0 HB3 GLN B 581 67.803 17.480 1.340 1.00 0.00 H new ATOM 0 HG2 GLN B 581 65.620 18.478 1.259 1.00 0.00 H new ATOM 0 HG3 GLN B 581 65.600 17.486 2.703 1.00 0.00 H new ATOM 0 HE21 GLN B 581 66.065 18.644 4.838 1.00 0.00 H new ATOM 0 HE22 GLN B 581 65.597 20.342 4.965 1.00 0.00 H new ATOM 2177 N LEU B 582 66.517 16.178 4.435 1.00 0.00 N ATOM 2178 CA LEU B 582 65.796 14.900 4.682 1.00 0.00 C ATOM 2179 C LEU B 582 64.298 15.193 4.531 1.00 0.00 C ATOM 2180 O LEU B 582 63.896 16.335 4.460 1.00 0.00 O ATOM 2181 CB LEU B 582 66.093 14.419 6.084 1.00 0.00 C ATOM 2182 CG LEU B 582 65.639 12.970 6.292 1.00 0.00 C ATOM 2183 CD1 LEU B 582 66.384 12.018 5.326 1.00 0.00 C ATOM 2184 CD2 LEU B 582 65.925 12.591 7.752 1.00 0.00 C ATOM 0 H LEU B 582 66.085 16.991 4.875 1.00 0.00 H new ATOM 0 HA LEU B 582 66.109 14.126 3.981 1.00 0.00 H new ATOM 0 HB2 LEU B 582 67.163 14.497 6.277 1.00 0.00 H new ATOM 0 HB3 LEU B 582 65.591 15.065 6.805 1.00 0.00 H new ATOM 0 HG LEU B 582 64.574 12.878 6.081 1.00 0.00 H new ATOM 0 HD11 LEU B 582 66.046 10.995 5.491 1.00 0.00 H new ATOM 0 HD12 LEU B 582 66.175 12.308 4.296 1.00 0.00 H new ATOM 0 HD13 LEU B 582 67.457 12.080 5.509 1.00 0.00 H new ATOM 0 HD21 LEU B 582 65.611 11.562 7.929 1.00 0.00 H new ATOM 0 HD22 LEU B 582 66.993 12.684 7.949 1.00 0.00 H new ATOM 0 HD23 LEU B 582 65.374 13.258 8.416 1.00 0.00 H new ATOM 2196 N ASN B 583 63.470 14.188 4.474 1.00 0.00 N ATOM 2197 CA ASN B 583 62.001 14.441 4.315 1.00 0.00 C ATOM 2198 C ASN B 583 61.206 13.315 4.976 1.00 0.00 C ATOM 2199 O ASN B 583 61.484 12.149 4.788 1.00 0.00 O ATOM 2200 CB ASN B 583 61.655 14.504 2.816 1.00 0.00 C ATOM 2201 CG ASN B 583 61.913 15.906 2.267 1.00 0.00 C ATOM 2202 OD1 ASN B 583 62.118 16.844 3.010 1.00 0.00 O ATOM 2203 ND2 ASN B 583 61.900 16.086 0.979 1.00 0.00 N ATOM 0 H ASN B 583 63.740 13.206 4.530 1.00 0.00 H new ATOM 0 HA ASN B 583 61.744 15.387 4.791 1.00 0.00 H new ATOM 0 HB2 ASN B 583 62.253 13.776 2.268 1.00 0.00 H new ATOM 0 HB3 ASN B 583 60.609 14.235 2.666 1.00 0.00 H new ATOM 0 HD21 ASN B 583 62.062 17.016 0.592 1.00 0.00 H new ATOM 0 HD22 ASN B 583 61.728 15.297 0.356 1.00 0.00 H new ATOM 2210 N LYS B 584 60.207 13.665 5.736 1.00 0.00 N ATOM 2211 CA LYS B 584 59.374 12.639 6.408 1.00 0.00 C ATOM 2212 C LYS B 584 58.921 11.597 5.390 1.00 0.00 C ATOM 2213 O LYS B 584 58.515 10.506 5.735 1.00 0.00 O ATOM 2214 CB LYS B 584 58.149 13.327 6.990 1.00 0.00 C ATOM 2215 CG LYS B 584 57.537 14.250 5.924 1.00 0.00 C ATOM 2216 CD LYS B 584 56.084 14.551 6.283 1.00 0.00 C ATOM 2217 CE LYS B 584 56.019 15.198 7.668 1.00 0.00 C ATOM 2218 NZ LYS B 584 54.652 15.747 7.897 1.00 0.00 N ATOM 0 H LYS B 584 59.932 14.630 5.920 1.00 0.00 H new ATOM 0 HA LYS B 584 59.949 12.148 7.193 1.00 0.00 H new ATOM 0 HB2 LYS B 584 57.417 12.585 7.310 1.00 0.00 H new ATOM 0 HB3 LYS B 584 58.425 13.903 7.873 1.00 0.00 H new ATOM 0 HG2 LYS B 584 58.106 15.177 5.861 1.00 0.00 H new ATOM 0 HG3 LYS B 584 57.590 13.776 4.944 1.00 0.00 H new ATOM 0 HD2 LYS B 584 55.646 15.216 5.539 1.00 0.00 H new ATOM 0 HD3 LYS B 584 55.499 13.632 6.273 1.00 0.00 H new ATOM 0 HE2 LYS B 584 56.261 14.463 8.436 1.00 0.00 H new ATOM 0 HE3 LYS B 584 56.760 15.994 7.744 1.00 0.00 H new ATOM 0 HZ1 LYS B 584 54.705 16.542 8.566 1.00 0.00 H new ATOM 0 HZ2 LYS B 584 54.256 16.079 6.995 1.00 0.00 H new ATOM 0 HZ3 LYS B 584 54.041 15.003 8.290 1.00 0.00 H new ATOM 2232 N GLY B 585 58.977 11.935 4.134 1.00 0.00 N ATOM 2233 CA GLY B 585 58.545 10.978 3.083 1.00 0.00 C ATOM 2234 C GLY B 585 59.719 10.090 2.712 1.00 0.00 C ATOM 2235 O GLY B 585 59.557 9.007 2.185 1.00 0.00 O ATOM 0 H GLY B 585 59.305 12.837 3.789 1.00 0.00 H new ATOM 0 HA2 GLY B 585 57.714 10.372 3.444 1.00 0.00 H new ATOM 0 HA3 GLY B 585 58.189 11.518 2.206 1.00 0.00 H new ATOM 2239 N THR B 586 60.903 10.549 2.993 1.00 0.00 N ATOM 2240 CA THR B 586 62.126 9.756 2.678 1.00 0.00 C ATOM 2241 C THR B 586 63.057 9.792 3.882 1.00 0.00 C ATOM 2242 O THR B 586 64.258 9.665 3.753 1.00 0.00 O ATOM 2243 CB THR B 586 62.832 10.371 1.468 1.00 0.00 C ATOM 2244 OG1 THR B 586 63.717 11.392 1.909 1.00 0.00 O ATOM 2245 CG2 THR B 586 61.787 10.970 0.525 1.00 0.00 C ATOM 0 H THR B 586 61.081 11.452 3.433 1.00 0.00 H new ATOM 0 HA THR B 586 61.854 8.725 2.451 1.00 0.00 H new ATOM 0 HB THR B 586 63.398 9.603 0.942 1.00 0.00 H new ATOM 0 HG1 THR B 586 64.402 11.002 2.491 1.00 0.00 H new ATOM 0 HG21 THR B 586 62.286 11.409 -0.339 1.00 0.00 H new ATOM 0 HG22 THR B 586 61.106 10.187 0.191 1.00 0.00 H new ATOM 0 HG23 THR B 586 61.223 11.741 1.050 1.00 0.00 H new ATOM 2253 N PHE B 587 62.512 9.967 5.059 1.00 0.00 N ATOM 2254 CA PHE B 587 63.383 10.013 6.277 1.00 0.00 C ATOM 2255 C PHE B 587 63.544 8.611 6.866 1.00 0.00 C ATOM 2256 O PHE B 587 62.645 8.039 7.448 1.00 0.00 O ATOM 2257 CB PHE B 587 62.811 10.976 7.336 1.00 0.00 C ATOM 2258 CG PHE B 587 61.713 10.319 8.163 1.00 0.00 C ATOM 2259 CD1 PHE B 587 61.782 10.345 9.563 1.00 0.00 C ATOM 2260 CD2 PHE B 587 60.631 9.688 7.533 1.00 0.00 C ATOM 2261 CE1 PHE B 587 60.775 9.744 10.328 1.00 0.00 C ATOM 2262 CE2 PHE B 587 59.625 9.087 8.300 1.00 0.00 C ATOM 2263 CZ PHE B 587 59.697 9.115 9.697 1.00 0.00 C ATOM 0 H PHE B 587 61.513 10.079 5.231 1.00 0.00 H new ATOM 0 HA PHE B 587 64.362 10.386 5.977 1.00 0.00 H new ATOM 0 HB2 PHE B 587 63.613 11.309 7.995 1.00 0.00 H new ATOM 0 HB3 PHE B 587 62.414 11.863 6.844 1.00 0.00 H new ATOM 0 HD1 PHE B 587 62.614 10.830 10.053 1.00 0.00 H new ATOM 0 HD2 PHE B 587 60.573 9.665 6.455 1.00 0.00 H new ATOM 0 HE1 PHE B 587 60.831 9.766 11.406 1.00 0.00 H new ATOM 0 HE2 PHE B 587 58.793 8.601 7.812 1.00 0.00 H new ATOM 0 HZ PHE B 587 58.921 8.651 10.288 1.00 0.00 H new ATOM 2273 N LYS B 588 64.710 8.069 6.716 1.00 0.00 N ATOM 2274 CA LYS B 588 65.017 6.719 7.255 1.00 0.00 C ATOM 2275 C LYS B 588 65.842 6.929 8.530 1.00 0.00 C ATOM 2276 O LYS B 588 66.248 8.035 8.829 1.00 0.00 O ATOM 2277 CB LYS B 588 65.805 5.950 6.166 1.00 0.00 C ATOM 2278 CG LYS B 588 65.275 4.510 5.931 1.00 0.00 C ATOM 2279 CD LYS B 588 63.738 4.411 5.736 1.00 0.00 C ATOM 2280 CE LYS B 588 63.158 5.620 4.986 1.00 0.00 C ATOM 2281 NZ LYS B 588 61.956 5.187 4.217 1.00 0.00 N ATOM 0 H LYS B 588 65.487 8.515 6.229 1.00 0.00 H new ATOM 0 HA LYS B 588 64.128 6.138 7.503 1.00 0.00 H new ATOM 0 HB2 LYS B 588 65.755 6.506 5.230 1.00 0.00 H new ATOM 0 HB3 LYS B 588 66.856 5.902 6.453 1.00 0.00 H new ATOM 0 HG2 LYS B 588 65.767 4.095 5.051 1.00 0.00 H new ATOM 0 HG3 LYS B 588 65.561 3.889 6.780 1.00 0.00 H new ATOM 0 HD2 LYS B 588 63.503 3.500 5.185 1.00 0.00 H new ATOM 0 HD3 LYS B 588 63.257 4.328 6.710 1.00 0.00 H new ATOM 0 HE2 LYS B 588 62.890 6.407 5.691 1.00 0.00 H new ATOM 0 HE3 LYS B 588 63.905 6.038 4.312 1.00 0.00 H new ATOM 0 HZ1 LYS B 588 61.558 6.001 3.707 1.00 0.00 H new ATOM 0 HZ2 LYS B 588 62.227 4.450 3.535 1.00 0.00 H new ATOM 0 HZ3 LYS B 588 61.243 4.807 4.872 1.00 0.00 H new ATOM 2295 N GLU B 589 66.070 5.906 9.304 1.00 0.00 N ATOM 2296 CA GLU B 589 66.839 6.106 10.569 1.00 0.00 C ATOM 2297 C GLU B 589 67.591 4.838 10.952 1.00 0.00 C ATOM 2298 O GLU B 589 67.249 3.734 10.576 1.00 0.00 O ATOM 2299 CB GLU B 589 65.861 6.508 11.689 1.00 0.00 C ATOM 2300 CG GLU B 589 66.449 6.223 13.080 1.00 0.00 C ATOM 2301 CD GLU B 589 65.595 6.923 14.139 1.00 0.00 C ATOM 2302 OE1 GLU B 589 64.528 6.414 14.443 1.00 0.00 O ATOM 2303 OE2 GLU B 589 66.022 7.955 14.629 1.00 0.00 O ATOM 0 H GLU B 589 65.763 4.951 9.122 1.00 0.00 H new ATOM 0 HA GLU B 589 67.574 6.897 10.421 1.00 0.00 H new ATOM 0 HB2 GLU B 589 65.624 7.569 11.603 1.00 0.00 H new ATOM 0 HB3 GLU B 589 64.925 5.962 11.570 1.00 0.00 H new ATOM 0 HG2 GLU B 589 66.472 5.149 13.265 1.00 0.00 H new ATOM 0 HG3 GLU B 589 67.478 6.578 13.133 1.00 0.00 H new ATOM 2310 N GLN B 590 68.612 5.025 11.725 1.00 0.00 N ATOM 2311 CA GLN B 590 69.442 3.902 12.210 1.00 0.00 C ATOM 2312 C GLN B 590 70.057 4.346 13.533 1.00 0.00 C ATOM 2313 O GLN B 590 70.362 5.505 13.717 1.00 0.00 O ATOM 2314 CB GLN B 590 70.555 3.588 11.194 1.00 0.00 C ATOM 2315 CG GLN B 590 71.065 2.144 11.396 1.00 0.00 C ATOM 2316 CD GLN B 590 70.295 1.179 10.489 1.00 0.00 C ATOM 2317 OE1 GLN B 590 69.284 0.632 10.880 1.00 0.00 O ATOM 2318 NE2 GLN B 590 70.738 0.949 9.283 1.00 0.00 N ATOM 0 H GLN B 590 68.916 5.942 12.052 1.00 0.00 H new ATOM 0 HA GLN B 590 68.841 3.001 12.338 1.00 0.00 H new ATOM 0 HB2 GLN B 590 70.177 3.710 10.179 1.00 0.00 H new ATOM 0 HB3 GLN B 590 71.378 4.293 11.314 1.00 0.00 H new ATOM 0 HG2 GLN B 590 72.131 2.092 11.173 1.00 0.00 H new ATOM 0 HG3 GLN B 590 70.943 1.850 12.439 1.00 0.00 H new ATOM 0 HE21 GLN B 590 71.587 1.409 8.955 1.00 0.00 H new ATOM 0 HE22 GLN B 590 70.235 0.309 8.668 1.00 0.00 H new ATOM 2327 N ASN B 591 70.242 3.449 14.456 1.00 0.00 N ATOM 2328 CA ASN B 591 70.835 3.833 15.771 1.00 0.00 C ATOM 2329 C ASN B 591 70.176 5.127 16.291 1.00 0.00 C ATOM 2330 O ASN B 591 70.748 5.830 17.093 1.00 0.00 O ATOM 2331 CB ASN B 591 72.371 4.014 15.646 1.00 0.00 C ATOM 2332 CG ASN B 591 72.757 4.315 14.206 1.00 0.00 C ATOM 2333 OD1 ASN B 591 73.265 5.376 13.902 1.00 0.00 O ATOM 2334 ND2 ASN B 591 72.535 3.412 13.305 1.00 0.00 N ATOM 0 H ASN B 591 70.008 2.461 14.360 1.00 0.00 H new ATOM 0 HA ASN B 591 70.645 3.033 16.486 1.00 0.00 H new ATOM 0 HB2 ASN B 591 72.701 4.826 16.294 1.00 0.00 H new ATOM 0 HB3 ASN B 591 72.878 3.110 15.983 1.00 0.00 H new ATOM 0 HD21 ASN B 591 72.787 3.589 12.333 1.00 0.00 H new ATOM 0 HD22 ASN B 591 72.108 2.524 13.568 1.00 0.00 H new ATOM 2341 N ASP B 592 68.970 5.421 15.844 1.00 0.00 N ATOM 2342 CA ASP B 592 68.228 6.649 16.308 1.00 0.00 C ATOM 2343 C ASP B 592 68.678 7.882 15.522 1.00 0.00 C ATOM 2344 O ASP B 592 68.152 8.964 15.692 1.00 0.00 O ATOM 2345 CB ASP B 592 68.473 6.899 17.802 1.00 0.00 C ATOM 2346 CG ASP B 592 68.512 5.568 18.557 1.00 0.00 C ATOM 2347 OD1 ASP B 592 69.137 5.520 19.604 1.00 0.00 O ATOM 2348 OD2 ASP B 592 67.916 4.618 18.075 1.00 0.00 O ATOM 0 H ASP B 592 68.461 4.853 15.167 1.00 0.00 H new ATOM 0 HA ASP B 592 67.166 6.475 16.137 1.00 0.00 H new ATOM 0 HB2 ASP B 592 69.413 7.432 17.940 1.00 0.00 H new ATOM 0 HB3 ASP B 592 67.684 7.533 18.207 1.00 0.00 H new ATOM 2353 N LYS B 593 69.652 7.732 14.682 1.00 0.00 N ATOM 2354 CA LYS B 593 70.158 8.887 13.897 1.00 0.00 C ATOM 2355 C LYS B 593 69.407 8.970 12.550 1.00 0.00 C ATOM 2356 O LYS B 593 69.402 8.010 11.805 1.00 0.00 O ATOM 2357 CB LYS B 593 71.636 8.649 13.629 1.00 0.00 C ATOM 2358 CG LYS B 593 72.355 8.312 14.944 1.00 0.00 C ATOM 2359 CD LYS B 593 73.855 8.599 14.806 1.00 0.00 C ATOM 2360 CE LYS B 593 74.539 8.404 16.160 1.00 0.00 C ATOM 2361 NZ LYS B 593 74.085 9.463 17.104 1.00 0.00 N ATOM 0 H LYS B 593 70.128 6.848 14.501 1.00 0.00 H new ATOM 0 HA LYS B 593 70.005 9.816 14.446 1.00 0.00 H new ATOM 0 HB2 LYS B 593 71.759 7.833 12.917 1.00 0.00 H new ATOM 0 HB3 LYS B 593 72.081 9.536 13.178 1.00 0.00 H new ATOM 0 HG2 LYS B 593 71.936 8.902 15.759 1.00 0.00 H new ATOM 0 HG3 LYS B 593 72.198 7.263 15.196 1.00 0.00 H new ATOM 0 HD2 LYS B 593 74.297 7.933 14.064 1.00 0.00 H new ATOM 0 HD3 LYS B 593 74.010 9.618 14.452 1.00 0.00 H new ATOM 0 HE2 LYS B 593 74.301 7.419 16.561 1.00 0.00 H new ATOM 0 HE3 LYS B 593 75.622 8.447 16.042 1.00 0.00 H new ATOM 0 HZ1 LYS B 593 74.777 9.562 17.874 1.00 0.00 H new ATOM 0 HZ2 LYS B 593 74.000 10.367 16.597 1.00 0.00 H new ATOM 0 HZ3 LYS B 593 73.160 9.201 17.501 1.00 0.00 H new ATOM 2375 N PRO B 594 68.782 10.086 12.209 1.00 0.00 N ATOM 2376 CA PRO B 594 68.064 10.178 10.905 1.00 0.00 C ATOM 2377 C PRO B 594 68.924 9.699 9.726 1.00 0.00 C ATOM 2378 O PRO B 594 70.128 9.574 9.833 1.00 0.00 O ATOM 2379 CB PRO B 594 67.765 11.680 10.811 1.00 0.00 C ATOM 2380 CG PRO B 594 67.853 12.262 12.227 1.00 0.00 C ATOM 2381 CD PRO B 594 68.727 11.314 13.064 1.00 0.00 C ATOM 0 HA PRO B 594 67.178 9.545 10.857 1.00 0.00 H new ATOM 0 HB2 PRO B 594 68.479 12.172 10.150 1.00 0.00 H new ATOM 0 HB3 PRO B 594 66.774 11.847 10.390 1.00 0.00 H new ATOM 0 HG2 PRO B 594 68.286 13.262 12.204 1.00 0.00 H new ATOM 0 HG3 PRO B 594 66.859 12.355 12.666 1.00 0.00 H new ATOM 0 HD2 PRO B 594 69.719 11.729 13.243 1.00 0.00 H new ATOM 0 HD3 PRO B 594 68.286 11.110 14.040 1.00 0.00 H new ATOM 2389 N TYR B 595 68.310 9.426 8.607 1.00 0.00 N ATOM 2390 CA TYR B 595 69.091 8.949 7.425 1.00 0.00 C ATOM 2391 C TYR B 595 68.190 8.921 6.184 1.00 0.00 C ATOM 2392 O TYR B 595 67.057 8.501 6.252 1.00 0.00 O ATOM 2393 CB TYR B 595 69.580 7.508 7.674 1.00 0.00 C ATOM 2394 CG TYR B 595 70.907 7.479 8.403 1.00 0.00 C ATOM 2395 CD1 TYR B 595 72.046 8.002 7.789 1.00 0.00 C ATOM 2396 CD2 TYR B 595 71.005 6.892 9.672 1.00 0.00 C ATOM 2397 CE1 TYR B 595 73.285 7.943 8.441 1.00 0.00 C ATOM 2398 CE2 TYR B 595 72.244 6.838 10.322 1.00 0.00 C ATOM 2399 CZ TYR B 595 73.381 7.363 9.705 1.00 0.00 C ATOM 2400 OH TYR B 595 74.601 7.309 10.344 1.00 0.00 O ATOM 0 H TYR B 595 67.305 9.512 8.458 1.00 0.00 H new ATOM 0 HA TYR B 595 69.934 9.623 7.273 1.00 0.00 H new ATOM 0 HB2 TYR B 595 68.834 6.967 8.257 1.00 0.00 H new ATOM 0 HB3 TYR B 595 69.678 6.988 6.721 1.00 0.00 H new ATOM 0 HD1 TYR B 595 71.972 8.453 6.810 1.00 0.00 H new ATOM 0 HD2 TYR B 595 70.126 6.482 10.148 1.00 0.00 H new ATOM 0 HE1 TYR B 595 74.166 8.347 7.964 1.00 0.00 H new ATOM 0 HE2 TYR B 595 72.320 6.390 11.302 1.00 0.00 H new ATOM 0 HH TYR B 595 74.535 7.755 11.214 1.00 0.00 H new ATOM 2410 N CYS B 596 68.701 9.281 5.040 1.00 0.00 N ATOM 2411 CA CYS B 596 67.864 9.170 3.816 1.00 0.00 C ATOM 2412 C CYS B 596 67.813 7.691 3.498 1.00 0.00 C ATOM 2413 O CYS B 596 68.686 6.947 3.896 1.00 0.00 O ATOM 2414 CB CYS B 596 68.493 9.919 2.626 1.00 0.00 C ATOM 2415 SG CYS B 596 69.145 11.522 3.149 1.00 0.00 S ATOM 0 H CYS B 596 69.645 9.641 4.901 1.00 0.00 H new ATOM 0 HA CYS B 596 66.880 9.607 3.983 1.00 0.00 H new ATOM 0 HB2 CYS B 596 69.294 9.319 2.195 1.00 0.00 H new ATOM 0 HB3 CYS B 596 67.746 10.062 1.845 1.00 0.00 H new ATOM 0 HG CYS B 596 69.671 12.131 2.128 1.00 0.00 H new ATOM 2420 N GLN B 597 66.837 7.229 2.789 1.00 0.00 N ATOM 2421 CA GLN B 597 66.840 5.788 2.488 1.00 0.00 C ATOM 2422 C GLN B 597 68.120 5.517 1.698 1.00 0.00 C ATOM 2423 O GLN B 597 68.952 4.727 2.092 1.00 0.00 O ATOM 2424 CB GLN B 597 65.555 5.425 1.705 1.00 0.00 C ATOM 2425 CG GLN B 597 65.758 4.215 0.775 1.00 0.00 C ATOM 2426 CD GLN B 597 65.545 2.919 1.555 1.00 0.00 C ATOM 2427 OE1 GLN B 597 65.176 1.907 0.993 1.00 0.00 O ATOM 2428 NE2 GLN B 597 65.767 2.914 2.834 1.00 0.00 N ATOM 0 H GLN B 597 66.058 7.770 2.414 1.00 0.00 H new ATOM 0 HA GLN B 597 66.834 5.167 3.384 1.00 0.00 H new ATOM 0 HB2 GLN B 597 64.752 5.208 2.410 1.00 0.00 H new ATOM 0 HB3 GLN B 597 65.237 6.284 1.115 1.00 0.00 H new ATOM 0 HG2 GLN B 597 65.060 4.266 -0.060 1.00 0.00 H new ATOM 0 HG3 GLN B 597 66.763 4.235 0.352 1.00 0.00 H new ATOM 0 HE21 GLN B 597 66.077 3.766 3.301 1.00 0.00 H new ATOM 0 HE22 GLN B 597 65.632 2.058 3.372 1.00 0.00 H new ATOM 2437 N ASN B 598 68.291 6.192 0.596 1.00 0.00 N ATOM 2438 CA ASN B 598 69.521 5.998 -0.221 1.00 0.00 C ATOM 2439 C ASN B 598 70.741 6.023 0.704 1.00 0.00 C ATOM 2440 O ASN B 598 71.741 5.378 0.456 1.00 0.00 O ATOM 2441 CB ASN B 598 69.618 7.125 -1.265 1.00 0.00 C ATOM 2442 CG ASN B 598 68.217 7.576 -1.659 1.00 0.00 C ATOM 2443 OD1 ASN B 598 67.865 8.729 -1.509 1.00 0.00 O ATOM 2444 ND2 ASN B 598 67.401 6.702 -2.159 1.00 0.00 N ATOM 0 H ASN B 598 67.629 6.873 0.224 1.00 0.00 H new ATOM 0 HA ASN B 598 69.484 5.039 -0.739 1.00 0.00 H new ATOM 0 HB2 ASN B 598 70.181 7.965 -0.858 1.00 0.00 H new ATOM 0 HB3 ASN B 598 70.159 6.775 -2.144 1.00 0.00 H new ATOM 0 HD21 ASN B 598 66.458 6.981 -2.429 1.00 0.00 H new ATOM 0 HD22 ASN B 598 67.702 5.735 -2.283 1.00 0.00 H new ATOM 2451 N CYS B 599 70.650 6.755 1.778 1.00 0.00 N ATOM 2452 CA CYS B 599 71.779 6.823 2.734 1.00 0.00 C ATOM 2453 C CYS B 599 71.758 5.567 3.611 1.00 0.00 C ATOM 2454 O CYS B 599 72.674 4.783 3.586 1.00 0.00 O ATOM 2455 CB CYS B 599 71.631 8.080 3.606 1.00 0.00 C ATOM 2456 SG CYS B 599 72.329 9.509 2.737 1.00 0.00 S ATOM 0 H CYS B 599 69.834 7.312 2.033 1.00 0.00 H new ATOM 0 HA CYS B 599 72.726 6.875 2.197 1.00 0.00 H new ATOM 0 HB2 CYS B 599 70.579 8.257 3.831 1.00 0.00 H new ATOM 0 HB3 CYS B 599 72.141 7.936 4.558 1.00 0.00 H new ATOM 0 HG CYS B 599 71.437 10.453 2.667 1.00 0.00 H new ATOM 2461 N PHE B 600 70.708 5.384 4.376 1.00 0.00 N ATOM 2462 CA PHE B 600 70.592 4.191 5.277 1.00 0.00 C ATOM 2463 C PHE B 600 70.717 2.894 4.472 1.00 0.00 C ATOM 2464 O PHE B 600 71.534 2.047 4.769 1.00 0.00 O ATOM 2465 CB PHE B 600 69.216 4.259 5.983 1.00 0.00 C ATOM 2466 CG PHE B 600 68.625 2.881 6.231 1.00 0.00 C ATOM 2467 CD1 PHE B 600 68.861 2.221 7.442 1.00 0.00 C ATOM 2468 CD2 PHE B 600 67.832 2.275 5.249 1.00 0.00 C ATOM 2469 CE1 PHE B 600 68.304 0.955 7.670 1.00 0.00 C ATOM 2470 CE2 PHE B 600 67.277 1.010 5.476 1.00 0.00 C ATOM 2471 CZ PHE B 600 67.513 0.351 6.687 1.00 0.00 C ATOM 0 H PHE B 600 69.913 6.022 4.415 1.00 0.00 H new ATOM 0 HA PHE B 600 71.395 4.199 6.014 1.00 0.00 H new ATOM 0 HB2 PHE B 600 69.323 4.782 6.933 1.00 0.00 H new ATOM 0 HB3 PHE B 600 68.526 4.843 5.374 1.00 0.00 H new ATOM 0 HD1 PHE B 600 69.472 2.687 8.201 1.00 0.00 H new ATOM 0 HD2 PHE B 600 67.648 2.784 4.315 1.00 0.00 H new ATOM 0 HE1 PHE B 600 68.486 0.446 8.605 1.00 0.00 H new ATOM 0 HE2 PHE B 600 66.667 0.543 4.717 1.00 0.00 H new ATOM 0 HZ PHE B 600 67.084 -0.625 6.863 1.00 0.00 H new ATOM 2481 N LEU B 601 69.892 2.718 3.479 1.00 0.00 N ATOM 2482 CA LEU B 601 69.945 1.466 2.683 1.00 0.00 C ATOM 2483 C LEU B 601 71.400 1.174 2.305 1.00 0.00 C ATOM 2484 O LEU B 601 71.853 0.050 2.363 1.00 0.00 O ATOM 2485 CB LEU B 601 69.016 1.629 1.446 1.00 0.00 C ATOM 2486 CG LEU B 601 69.787 1.650 0.105 1.00 0.00 C ATOM 2487 CD1 LEU B 601 70.382 0.254 -0.213 1.00 0.00 C ATOM 2488 CD2 LEU B 601 68.816 2.061 -1.007 1.00 0.00 C ATOM 0 H LEU B 601 69.183 3.390 3.185 1.00 0.00 H new ATOM 0 HA LEU B 601 69.587 0.610 3.255 1.00 0.00 H new ATOM 0 HB2 LEU B 601 68.295 0.812 1.431 1.00 0.00 H new ATOM 0 HB3 LEU B 601 68.448 2.554 1.546 1.00 0.00 H new ATOM 0 HG LEU B 601 70.610 2.361 0.175 1.00 0.00 H new ATOM 0 HD11 LEU B 601 70.919 0.295 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU B 601 71.069 -0.038 0.581 1.00 0.00 H new ATOM 0 HD13 LEU B 601 69.577 -0.477 -0.284 1.00 0.00 H new ATOM 0 HD21 LEU B 601 69.343 2.081 -1.961 1.00 0.00 H new ATOM 0 HD22 LEU B 601 67.998 1.343 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU B 601 68.416 3.052 -0.793 1.00 0.00 H new ATOM 2500 N LYS B 602 72.134 2.174 1.918 1.00 0.00 N ATOM 2501 CA LYS B 602 73.551 1.942 1.537 1.00 0.00 C ATOM 2502 C LYS B 602 74.327 1.350 2.720 1.00 0.00 C ATOM 2503 O LYS B 602 75.372 0.762 2.547 1.00 0.00 O ATOM 2504 CB LYS B 602 74.185 3.273 1.119 1.00 0.00 C ATOM 2505 CG LYS B 602 75.490 3.020 0.356 1.00 0.00 C ATOM 2506 CD LYS B 602 75.877 4.289 -0.417 1.00 0.00 C ATOM 2507 CE LYS B 602 77.307 4.170 -0.986 1.00 0.00 C ATOM 2508 NZ LYS B 602 77.953 5.513 -0.972 1.00 0.00 N ATOM 0 H LYS B 602 71.816 3.141 1.849 1.00 0.00 H new ATOM 0 HA LYS B 602 73.589 1.238 0.705 1.00 0.00 H new ATOM 0 HB2 LYS B 602 73.491 3.834 0.492 1.00 0.00 H new ATOM 0 HB3 LYS B 602 74.383 3.883 2.000 1.00 0.00 H new ATOM 0 HG2 LYS B 602 76.284 2.746 1.051 1.00 0.00 H new ATOM 0 HG3 LYS B 602 75.367 2.184 -0.332 1.00 0.00 H new ATOM 0 HD2 LYS B 602 75.170 4.455 -1.230 1.00 0.00 H new ATOM 0 HD3 LYS B 602 75.814 5.155 0.242 1.00 0.00 H new ATOM 0 HE2 LYS B 602 77.890 3.466 -0.392 1.00 0.00 H new ATOM 0 HE3 LYS B 602 77.275 3.779 -2.003 1.00 0.00 H new ATOM 0 HZ1 LYS B 602 78.917 5.438 -1.355 1.00 0.00 H new ATOM 0 HZ2 LYS B 602 77.399 6.171 -1.556 1.00 0.00 H new ATOM 0 HZ3 LYS B 602 77.995 5.868 0.005 1.00 0.00 H new ATOM 2522 N LEU B 603 73.837 1.520 3.922 1.00 0.00 N ATOM 2523 CA LEU B 603 74.568 0.991 5.120 1.00 0.00 C ATOM 2524 C LEU B 603 74.125 -0.434 5.464 1.00 0.00 C ATOM 2525 O LEU B 603 74.935 -1.336 5.549 1.00 0.00 O ATOM 2526 CB LEU B 603 74.301 1.914 6.314 1.00 0.00 C ATOM 2527 CG LEU B 603 74.272 3.365 5.831 1.00 0.00 C ATOM 2528 CD1 LEU B 603 74.161 4.321 7.024 1.00 0.00 C ATOM 2529 CD2 LEU B 603 75.548 3.677 5.035 1.00 0.00 C ATOM 0 H LEU B 603 72.962 2.002 4.128 1.00 0.00 H new ATOM 0 HA LEU B 603 75.633 0.964 4.890 1.00 0.00 H new ATOM 0 HB2 LEU B 603 73.352 1.655 6.784 1.00 0.00 H new ATOM 0 HB3 LEU B 603 75.076 1.785 7.069 1.00 0.00 H new ATOM 0 HG LEU B 603 73.403 3.501 5.187 1.00 0.00 H new ATOM 0 HD11 LEU B 603 74.141 5.350 6.665 1.00 0.00 H new ATOM 0 HD12 LEU B 603 73.244 4.111 7.574 1.00 0.00 H new ATOM 0 HD13 LEU B 603 75.019 4.183 7.682 1.00 0.00 H new ATOM 0 HD21 LEU B 603 75.520 4.712 4.694 1.00 0.00 H new ATOM 0 HD22 LEU B 603 76.420 3.528 5.672 1.00 0.00 H new ATOM 0 HD23 LEU B 603 75.611 3.013 4.173 1.00 0.00 H new ATOM 2541 N PHE B 604 72.859 -0.648 5.691 1.00 0.00 N ATOM 2542 CA PHE B 604 72.390 -2.019 6.061 1.00 0.00 C ATOM 2543 C PHE B 604 72.039 -2.824 4.799 1.00 0.00 C ATOM 2544 O PHE B 604 71.188 -3.690 4.823 1.00 0.00 O ATOM 2545 CB PHE B 604 71.160 -1.895 6.984 1.00 0.00 C ATOM 2546 CG PHE B 604 71.607 -1.788 8.434 1.00 0.00 C ATOM 2547 CD1 PHE B 604 72.613 -0.878 8.800 1.00 0.00 C ATOM 2548 CD2 PHE B 604 71.018 -2.605 9.410 1.00 0.00 C ATOM 2549 CE1 PHE B 604 73.024 -0.789 10.135 1.00 0.00 C ATOM 2550 CE2 PHE B 604 71.431 -2.512 10.745 1.00 0.00 C ATOM 2551 CZ PHE B 604 72.433 -1.604 11.107 1.00 0.00 C ATOM 0 H PHE B 604 72.129 0.062 5.637 1.00 0.00 H new ATOM 0 HA PHE B 604 73.185 -2.548 6.586 1.00 0.00 H new ATOM 0 HB2 PHE B 604 70.576 -1.017 6.709 1.00 0.00 H new ATOM 0 HB3 PHE B 604 70.511 -2.762 6.858 1.00 0.00 H new ATOM 0 HD1 PHE B 604 73.069 -0.247 8.051 1.00 0.00 H new ATOM 0 HD2 PHE B 604 70.245 -3.306 9.132 1.00 0.00 H new ATOM 0 HE1 PHE B 604 73.798 -0.090 10.415 1.00 0.00 H new ATOM 0 HE2 PHE B 604 70.976 -3.141 11.496 1.00 0.00 H new ATOM 0 HZ PHE B 604 72.750 -1.532 12.137 1.00 0.00 H new ATOM 2561 N CYS B 605 72.702 -2.563 3.701 1.00 0.00 N ATOM 2562 CA CYS B 605 72.414 -3.336 2.451 1.00 0.00 C ATOM 2563 C CYS B 605 73.689 -3.424 1.605 1.00 0.00 C ATOM 2564 O CYS B 605 74.735 -3.698 2.171 1.00 0.00 O ATOM 2565 CB CYS B 605 71.304 -2.645 1.644 1.00 0.00 C ATOM 2566 SG CYS B 605 70.084 -1.934 2.777 1.00 0.00 S ATOM 2567 OXT CYS B 605 73.597 -3.217 0.406 1.00 0.00 O ATOM 0 H CYS B 605 73.428 -1.851 3.614 1.00 0.00 H new ATOM 0 HA CYS B 605 72.081 -4.339 2.719 1.00 0.00 H new ATOM 0 HB2 CYS B 605 71.730 -1.863 1.015 1.00 0.00 H new ATOM 0 HB3 CYS B 605 70.823 -3.362 0.979 1.00 0.00 H new ATOM 0 HG CYS B 605 69.928 -2.724 3.798 1.00 0.00 H new