USER MOD reduce.3.24.130724 H: found=0, std=0, add=1131, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1119 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 575 CYS SG : rot -121:sc= -1.05 USER MOD Set 1.2: B 578 CYS SG : rot 49:sc= 0.867! USER MOD Set 1.3: B 596 CYS SG : rot 95:sc= -1.8 USER MOD Set 1.4: B 599 CYS SG : rot -83:sc= 0.426 USER MOD Set 2.1: B 591 ASN : amide:sc= -10.9! C(o=-11!,f=-6.2!) USER MOD Set 2.2: B 595 TYR OH : rot 11:sc= -0.178 USER MOD Set 3.1: B 562 THR OG1 : rot 180:sc= 0.0968 USER MOD Set 3.2: B 567 LYS NZ :NH3+ 141:sc= 0.0788 (180deg=0) USER MOD Set 4.1: B 549 CYS SG : rot 19:sc= -0.512 USER MOD Set 4.2: B 552 CYS SG : rot 178:sc= 0.233 USER MOD Set 4.3: B 569 HIS : no HE2:sc= -5.78! C(o=-12!,f=-25!) USER MOD Set 4.4: B 572 HIS : no HD1:sc= -5.8! C(o=-12!,f=-19!) USER MOD Single : A 17 THR OG1 : rot 34:sc= 0.939 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.252 X(o=-0.25,f=0) USER MOD Single : A 25 THR OG1 : rot -77:sc= 0.0334 USER MOD Single : A 28 ASN : amide:sc= -3.12! K(o=-3.1!,f=-1.3) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.747 USER MOD Single : A 40 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.43) USER MOD Single : A 45 MET CE :methyl -110:sc= -2.09 (180deg=-7.89!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -133:sc= -0.0596 (180deg=-1.3) USER MOD Single : A 55 LYS NZ :NH3+ 164:sc=-0.00496 (180deg=-0.195) USER MOD Single : A 56 LYS NZ :NH3+ -143:sc= -3.63 (180deg=-6.64!) USER MOD Single : A 59 SER OG : rot 180:sc= -0.959 USER MOD Single : A 61 HIS : no HE2:sc= -3.66 K(o=-3.7,f=-9.9!) USER MOD Single : A 67 LYS NZ :NH3+ 146:sc= -0.0964 (180deg=-0.652) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 74 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00219) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 76 HIS : no HD1:sc= -4.2! K(o=-4.2!,f=-2.3) USER MOD Single : A 78 THR OG1 : rot -170:sc= -0.0927 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 150:sc= -0.52 USER MOD Single : A 85 GLN : amide:sc= -2.69! K(o=-2.7!,f=-1.5) USER MOD Single : A 89 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.196) USER MOD Single : A 91 GLN : amide:sc= -10.7! C(o=-11!,f=-18!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : B 547 SER OG : rot 170:sc= 0 USER MOD Single : B 550 SER OG : rot 130:sc= 0 USER MOD Single : B 553 GLN : amide:sc= -3.41! K(o=-3.4!,f=-1.2) USER MOD Single : B 554 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.148) USER MOD Single : B 557 THR OG1 : rot 60:sc= 1.01 USER MOD Single : B 560 CYS SG : rot 33:sc= 0.351 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+ 159:sc= -0.0112 (180deg=-0.584) USER MOD Single : B 581 GLN : amide:sc= -3.86! K(o=-3.9!,f=-2) USER MOD Single : B 583 ASN : amide:sc= -2.01! C(o=-2!,f=-3.5!) USER MOD Single : B 584 LYS NZ :NH3+ 161:sc= -2.89! (180deg=-4.1!) USER MOD Single : B 586 THR OG1 : rot 180:sc= -0.0943 USER MOD Single : B 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 590 GLN : amide:sc= -4.3! C(o=-4.3!,f=-4.6!) USER MOD Single : B 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 597 GLN : amide:sc= -4.76! K(o=-4.8!,f=-0.27) USER MOD Single : B 598 ASN : amide:sc= -0.535 X(o=-0.54,f=-0.39) USER MOD Single : B 602 LYS NZ :NH3+ -150:sc= -0.144 (180deg=-0.89) USER MOD Single : B 605 CYS SG : rot 180:sc= -0.0145 USER MOD ----------------------------------------------------------------- ATOM 213 N GLY A 16 90.183 -13.263 14.996 1.00 0.00 N ATOM 214 CA GLY A 16 89.915 -13.113 13.538 1.00 0.00 C ATOM 215 C GLY A 16 89.608 -11.650 13.258 1.00 0.00 C ATOM 216 O GLY A 16 89.105 -11.295 12.211 1.00 0.00 O ATOM 0 HA2 GLY A 16 90.779 -13.438 12.958 1.00 0.00 H new ATOM 0 HA3 GLY A 16 89.076 -13.741 13.239 1.00 0.00 H new ATOM 220 N THR A 17 89.904 -10.798 14.200 1.00 0.00 N ATOM 221 CA THR A 17 89.627 -9.352 14.026 1.00 0.00 C ATOM 222 C THR A 17 90.838 -8.660 13.419 1.00 0.00 C ATOM 223 O THR A 17 91.925 -8.688 13.961 1.00 0.00 O ATOM 224 CB THR A 17 89.348 -8.731 15.392 1.00 0.00 C ATOM 225 OG1 THR A 17 90.398 -9.067 16.287 1.00 0.00 O ATOM 226 CG2 THR A 17 88.026 -9.260 15.932 1.00 0.00 C ATOM 0 H THR A 17 90.331 -11.049 15.092 1.00 0.00 H new ATOM 0 HA THR A 17 88.767 -9.230 13.367 1.00 0.00 H new ATOM 0 HB THR A 17 89.289 -7.647 15.294 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.244 -9.116 15.795 1.00 0.00 H new ATOM 0 HG21 THR A 17 87.828 -8.816 16.908 1.00 0.00 H new ATOM 0 HG22 THR A 17 87.222 -8.999 15.244 1.00 0.00 H new ATOM 0 HG23 THR A 17 88.081 -10.344 16.031 1.00 0.00 H new ATOM 234 N TRP A 18 90.641 -8.022 12.306 1.00 0.00 N ATOM 235 CA TRP A 18 91.745 -7.284 11.631 1.00 0.00 C ATOM 236 C TRP A 18 91.241 -5.875 11.320 1.00 0.00 C ATOM 237 O TRP A 18 90.255 -5.696 10.632 1.00 0.00 O ATOM 238 CB TRP A 18 92.149 -8.008 10.330 1.00 0.00 C ATOM 239 CG TRP A 18 91.057 -8.927 9.879 1.00 0.00 C ATOM 240 CD1 TRP A 18 89.883 -8.535 9.335 1.00 0.00 C ATOM 241 CD2 TRP A 18 91.023 -10.383 9.922 1.00 0.00 C ATOM 242 NE1 TRP A 18 89.131 -9.659 9.040 1.00 0.00 N ATOM 243 CE2 TRP A 18 89.791 -10.822 9.386 1.00 0.00 C ATOM 244 CE3 TRP A 18 91.935 -11.356 10.372 1.00 0.00 C ATOM 245 CZ2 TRP A 18 89.473 -12.177 9.297 1.00 0.00 C ATOM 246 CZ3 TRP A 18 91.618 -12.722 10.285 1.00 0.00 C ATOM 247 CH2 TRP A 18 90.389 -13.131 9.749 1.00 0.00 C ATOM 0 H TRP A 18 89.744 -7.978 11.823 1.00 0.00 H new ATOM 0 HA TRP A 18 92.623 -7.238 12.275 1.00 0.00 H new ATOM 0 HB2 TRP A 18 92.361 -7.276 9.551 1.00 0.00 H new ATOM 0 HB3 TRP A 18 93.065 -8.575 10.492 1.00 0.00 H new ATOM 0 HD1 TRP A 18 89.582 -7.513 9.159 1.00 0.00 H new ATOM 0 HE1 TRP A 18 88.203 -9.632 8.618 1.00 0.00 H new ATOM 0 HE3 TRP A 18 92.884 -11.051 10.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 88.525 -12.487 8.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 92.325 -13.461 10.633 1.00 0.00 H new ATOM 0 HH2 TRP A 18 90.150 -14.182 9.685 1.00 0.00 H new ATOM 258 N GLU A 19 91.903 -4.874 11.825 1.00 0.00 N ATOM 259 CA GLU A 19 91.447 -3.480 11.557 1.00 0.00 C ATOM 260 C GLU A 19 91.856 -3.091 10.141 1.00 0.00 C ATOM 261 O GLU A 19 92.999 -3.224 9.755 1.00 0.00 O ATOM 262 CB GLU A 19 92.054 -2.487 12.585 1.00 0.00 C ATOM 263 CG GLU A 19 93.176 -3.158 13.369 1.00 0.00 C ATOM 264 CD GLU A 19 94.237 -3.688 12.402 1.00 0.00 C ATOM 265 OE1 GLU A 19 94.645 -2.936 11.533 1.00 0.00 O ATOM 266 OE2 GLU A 19 94.622 -4.836 12.548 1.00 0.00 O ATOM 0 H GLU A 19 92.735 -4.957 12.409 1.00 0.00 H new ATOM 0 HA GLU A 19 90.362 -3.435 11.655 1.00 0.00 H new ATOM 0 HB2 GLU A 19 92.438 -1.607 12.068 1.00 0.00 H new ATOM 0 HB3 GLU A 19 91.279 -2.142 13.269 1.00 0.00 H new ATOM 0 HG2 GLU A 19 93.625 -2.446 14.061 1.00 0.00 H new ATOM 0 HG3 GLU A 19 92.775 -3.976 13.968 1.00 0.00 H new ATOM 273 N LEU A 20 90.931 -2.599 9.365 1.00 0.00 N ATOM 274 CA LEU A 20 91.277 -2.191 7.980 1.00 0.00 C ATOM 275 C LEU A 20 91.849 -0.780 8.046 1.00 0.00 C ATOM 276 O LEU A 20 91.301 0.089 8.687 1.00 0.00 O ATOM 277 CB LEU A 20 90.008 -2.228 7.089 1.00 0.00 C ATOM 278 CG LEU A 20 90.223 -3.125 5.851 1.00 0.00 C ATOM 279 CD1 LEU A 20 91.524 -2.740 5.108 1.00 0.00 C ATOM 280 CD2 LEU A 20 90.261 -4.608 6.289 1.00 0.00 C ATOM 0 H LEU A 20 89.956 -2.463 9.630 1.00 0.00 H new ATOM 0 HA LEU A 20 92.009 -2.871 7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 20 89.164 -2.600 7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 20 89.755 -1.217 6.770 1.00 0.00 H new ATOM 0 HG LEU A 20 89.393 -2.978 5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 20 91.652 -3.387 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 20 91.463 -1.702 4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 20 92.375 -2.860 5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 20 90.413 -5.242 5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 20 91.079 -4.759 6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 20 89.318 -4.870 6.768 1.00 0.00 H new ATOM 292 N SER A 21 92.952 -0.553 7.404 1.00 0.00 N ATOM 293 CA SER A 21 93.569 0.796 7.455 1.00 0.00 C ATOM 294 C SER A 21 92.842 1.743 6.511 1.00 0.00 C ATOM 295 O SER A 21 92.396 1.358 5.448 1.00 0.00 O ATOM 296 CB SER A 21 95.038 0.696 7.039 1.00 0.00 C ATOM 297 OG SER A 21 95.777 1.731 7.673 1.00 0.00 O ATOM 0 H SER A 21 93.455 -1.242 6.845 1.00 0.00 H new ATOM 0 HA SER A 21 93.496 1.182 8.472 1.00 0.00 H new ATOM 0 HB2 SER A 21 95.441 -0.278 7.318 1.00 0.00 H new ATOM 0 HB3 SER A 21 95.128 0.780 5.956 1.00 0.00 H new ATOM 0 HG SER A 21 96.719 1.669 7.410 1.00 0.00 H new ATOM 303 N VAL A 22 92.748 2.990 6.887 1.00 0.00 N ATOM 304 CA VAL A 22 92.078 3.996 6.008 1.00 0.00 C ATOM 305 C VAL A 22 92.918 5.269 5.959 1.00 0.00 C ATOM 306 O VAL A 22 92.918 6.067 6.875 1.00 0.00 O ATOM 307 CB VAL A 22 90.664 4.316 6.516 1.00 0.00 C ATOM 308 CG1 VAL A 22 90.141 5.592 5.837 1.00 0.00 C ATOM 309 CG2 VAL A 22 89.736 3.157 6.162 1.00 0.00 C ATOM 0 H VAL A 22 93.107 3.358 7.768 1.00 0.00 H new ATOM 0 HA VAL A 22 91.989 3.578 5.005 1.00 0.00 H new ATOM 0 HB VAL A 22 90.694 4.464 7.596 1.00 0.00 H new ATOM 0 HG11 VAL A 22 89.138 5.813 6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 22 90.804 6.426 6.069 1.00 0.00 H new ATOM 0 HG13 VAL A 22 90.110 5.443 4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 22 88.729 3.375 6.519 1.00 0.00 H new ATOM 0 HG22 VAL A 22 89.717 3.024 5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 22 90.098 2.244 6.634 1.00 0.00 H new ATOM 319 N HIS A 23 93.613 5.470 4.878 1.00 0.00 N ATOM 320 CA HIS A 23 94.436 6.695 4.734 1.00 0.00 C ATOM 321 C HIS A 23 93.494 7.840 4.376 1.00 0.00 C ATOM 322 O HIS A 23 93.012 7.935 3.264 1.00 0.00 O ATOM 323 CB HIS A 23 95.457 6.471 3.609 1.00 0.00 C ATOM 324 CG HIS A 23 96.718 5.862 4.171 1.00 0.00 C ATOM 325 ND1 HIS A 23 96.757 4.570 4.672 1.00 0.00 N ATOM 326 CD2 HIS A 23 97.987 6.363 4.327 1.00 0.00 C ATOM 327 CE1 HIS A 23 98.012 4.339 5.101 1.00 0.00 C ATOM 328 NE2 HIS A 23 98.802 5.400 4.914 1.00 0.00 N ATOM 0 H HIS A 23 93.645 4.832 4.083 1.00 0.00 H new ATOM 0 HA HIS A 23 94.973 6.929 5.654 1.00 0.00 H new ATOM 0 HB2 HIS A 23 95.034 5.815 2.848 1.00 0.00 H new ATOM 0 HB3 HIS A 23 95.687 7.418 3.121 1.00 0.00 H new ATOM 0 HD2 HIS A 23 98.304 7.354 4.038 1.00 0.00 H new ATOM 0 HE1 HIS A 23 98.340 3.410 5.542 1.00 0.00 H new ATOM 0 HE2 HIS A 23 99.790 5.486 5.151 1.00 0.00 H new ATOM 336 N VAL A 24 93.205 8.696 5.313 1.00 0.00 N ATOM 337 CA VAL A 24 92.271 9.807 5.019 1.00 0.00 C ATOM 338 C VAL A 24 92.927 10.802 4.070 1.00 0.00 C ATOM 339 O VAL A 24 93.823 11.533 4.436 1.00 0.00 O ATOM 340 CB VAL A 24 91.873 10.498 6.327 1.00 0.00 C ATOM 341 CG1 VAL A 24 90.558 11.254 6.129 1.00 0.00 C ATOM 342 CG2 VAL A 24 91.688 9.442 7.418 1.00 0.00 C ATOM 0 H VAL A 24 93.574 8.673 6.264 1.00 0.00 H new ATOM 0 HA VAL A 24 91.376 9.412 4.539 1.00 0.00 H new ATOM 0 HB VAL A 24 92.654 11.200 6.620 1.00 0.00 H new ATOM 0 HG11 VAL A 24 90.277 11.745 7.061 1.00 0.00 H new ATOM 0 HG12 VAL A 24 90.683 12.003 5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 24 89.776 10.553 5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 24 91.405 9.929 8.351 1.00 0.00 H new ATOM 0 HG22 VAL A 24 90.905 8.745 7.120 1.00 0.00 H new ATOM 0 HG23 VAL A 24 92.622 8.899 7.561 1.00 0.00 H new ATOM 352 N THR A 25 92.475 10.835 2.850 1.00 0.00 N ATOM 353 CA THR A 25 93.050 11.782 1.867 1.00 0.00 C ATOM 354 C THR A 25 92.477 13.168 2.154 1.00 0.00 C ATOM 355 O THR A 25 91.498 13.300 2.858 1.00 0.00 O ATOM 356 CB THR A 25 92.679 11.328 0.451 1.00 0.00 C ATOM 357 OG1 THR A 25 91.378 11.801 0.130 1.00 0.00 O ATOM 358 CG2 THR A 25 92.703 9.795 0.376 1.00 0.00 C ATOM 0 H THR A 25 91.727 10.241 2.492 1.00 0.00 H new ATOM 0 HA THR A 25 94.137 11.812 1.945 1.00 0.00 H new ATOM 0 HB THR A 25 93.399 11.733 -0.260 1.00 0.00 H new ATOM 0 HG1 THR A 25 90.708 11.245 0.580 1.00 0.00 H new ATOM 0 HG21 THR A 25 92.439 9.476 -0.632 1.00 0.00 H new ATOM 0 HG22 THR A 25 93.702 9.434 0.621 1.00 0.00 H new ATOM 0 HG23 THR A 25 91.985 9.385 1.086 1.00 0.00 H new ATOM 366 N ASP A 26 93.089 14.201 1.645 1.00 0.00 N ATOM 367 CA ASP A 26 92.589 15.577 1.928 1.00 0.00 C ATOM 368 C ASP A 26 92.948 15.908 3.382 1.00 0.00 C ATOM 369 O ASP A 26 93.435 16.978 3.689 1.00 0.00 O ATOM 370 CB ASP A 26 91.060 15.641 1.719 1.00 0.00 C ATOM 371 CG ASP A 26 90.649 17.050 1.275 1.00 0.00 C ATOM 372 OD1 ASP A 26 89.597 17.176 0.670 1.00 0.00 O ATOM 373 OD2 ASP A 26 91.394 17.976 1.548 1.00 0.00 O ATOM 0 H ASP A 26 93.913 14.153 1.046 1.00 0.00 H new ATOM 0 HA ASP A 26 93.046 16.300 1.252 1.00 0.00 H new ATOM 0 HB2 ASP A 26 90.757 14.911 0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 26 90.547 15.378 2.644 1.00 0.00 H new ATOM 378 N LEU A 27 92.739 14.969 4.271 1.00 0.00 N ATOM 379 CA LEU A 27 93.092 15.180 5.705 1.00 0.00 C ATOM 380 C LEU A 27 94.511 14.646 5.904 1.00 0.00 C ATOM 381 O LEU A 27 95.295 15.199 6.644 1.00 0.00 O ATOM 382 CB LEU A 27 92.101 14.396 6.591 1.00 0.00 C ATOM 383 CG LEU A 27 91.030 15.332 7.179 1.00 0.00 C ATOM 384 CD1 LEU A 27 89.813 14.511 7.606 1.00 0.00 C ATOM 385 CD2 LEU A 27 91.583 16.064 8.406 1.00 0.00 C ATOM 0 H LEU A 27 92.335 14.057 4.060 1.00 0.00 H new ATOM 0 HA LEU A 27 93.040 16.234 5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 27 91.622 13.613 6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 27 92.641 13.902 7.399 1.00 0.00 H new ATOM 0 HG LEU A 27 90.746 16.059 6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 27 89.055 15.174 8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 27 89.404 13.990 6.740 1.00 0.00 H new ATOM 0 HD13 LEU A 27 90.112 13.783 8.360 1.00 0.00 H new ATOM 0 HD21 LEU A 27 90.816 16.723 8.813 1.00 0.00 H new ATOM 0 HD22 LEU A 27 91.875 15.336 9.163 1.00 0.00 H new ATOM 0 HD23 LEU A 27 92.452 16.654 8.116 1.00 0.00 H new ATOM 397 N ASN A 28 94.826 13.568 5.225 1.00 0.00 N ATOM 398 CA ASN A 28 96.186 12.951 5.319 1.00 0.00 C ATOM 399 C ASN A 28 96.324 12.132 6.599 1.00 0.00 C ATOM 400 O ASN A 28 97.420 11.824 7.022 1.00 0.00 O ATOM 401 CB ASN A 28 97.272 14.036 5.298 1.00 0.00 C ATOM 402 CG ASN A 28 98.596 13.413 4.867 1.00 0.00 C ATOM 403 OD1 ASN A 28 99.490 14.094 4.407 1.00 0.00 O ATOM 404 ND2 ASN A 28 98.749 12.130 5.004 1.00 0.00 N ATOM 0 H ASN A 28 94.185 13.082 4.598 1.00 0.00 H new ATOM 0 HA ASN A 28 96.311 12.294 4.459 1.00 0.00 H new ATOM 0 HB2 ASN A 28 96.992 14.835 4.611 1.00 0.00 H new ATOM 0 HB3 ASN A 28 97.373 14.486 6.286 1.00 0.00 H new ATOM 0 HD21 ASN A 28 99.625 11.688 4.724 1.00 0.00 H new ATOM 0 HD22 ASN A 28 97.993 11.565 5.391 1.00 0.00 H new ATOM 411 N ARG A 29 95.239 11.766 7.224 1.00 0.00 N ATOM 412 CA ARG A 29 95.345 10.965 8.464 1.00 0.00 C ATOM 413 C ARG A 29 95.266 9.493 8.121 1.00 0.00 C ATOM 414 O ARG A 29 95.126 9.105 6.978 1.00 0.00 O ATOM 415 CB ARG A 29 94.190 11.288 9.394 1.00 0.00 C ATOM 416 CG ARG A 29 94.274 12.744 9.825 1.00 0.00 C ATOM 417 CD ARG A 29 93.070 13.076 10.704 1.00 0.00 C ATOM 418 NE ARG A 29 93.311 12.574 12.085 1.00 0.00 N ATOM 419 CZ ARG A 29 92.476 12.871 13.042 1.00 0.00 C ATOM 420 NH1 ARG A 29 92.687 12.432 14.253 1.00 0.00 N ATOM 421 NH2 ARG A 29 91.429 13.608 12.788 1.00 0.00 N ATOM 0 H ARG A 29 94.289 11.989 6.927 1.00 0.00 H new ATOM 0 HA ARG A 29 96.293 11.199 8.948 1.00 0.00 H new ATOM 0 HB2 ARG A 29 93.241 11.101 8.891 1.00 0.00 H new ATOM 0 HB3 ARG A 29 94.221 10.637 10.268 1.00 0.00 H new ATOM 0 HG2 ARG A 29 95.200 12.921 10.373 1.00 0.00 H new ATOM 0 HG3 ARG A 29 94.292 13.394 8.951 1.00 0.00 H new ATOM 0 HD2 ARG A 29 92.904 14.153 10.721 1.00 0.00 H new ATOM 0 HD3 ARG A 29 92.169 12.621 10.292 1.00 0.00 H new ATOM 0 HE ARG A 29 94.129 11.998 12.283 1.00 0.00 H new ATOM 0 HH11 ARG A 29 93.505 11.856 14.451 1.00 0.00 H new ATOM 0 HH12 ARG A 29 92.034 12.665 15.001 1.00 0.00 H new ATOM 0 HH21 ARG A 29 91.264 13.951 11.842 1.00 0.00 H new ATOM 0 HH22 ARG A 29 90.776 13.841 13.536 1.00 0.00 H new ATOM 435 N ASP A 30 95.325 8.676 9.123 1.00 0.00 N ATOM 436 CA ASP A 30 95.223 7.209 8.919 1.00 0.00 C ATOM 437 C ASP A 30 94.334 6.639 10.005 1.00 0.00 C ATOM 438 O ASP A 30 94.671 6.661 11.173 1.00 0.00 O ATOM 439 CB ASP A 30 96.597 6.560 9.008 1.00 0.00 C ATOM 440 CG ASP A 30 97.464 7.016 7.834 1.00 0.00 C ATOM 441 OD1 ASP A 30 96.904 7.455 6.843 1.00 0.00 O ATOM 442 OD2 ASP A 30 98.675 6.921 7.946 1.00 0.00 O ATOM 0 H ASP A 30 95.442 8.965 10.094 1.00 0.00 H new ATOM 0 HA ASP A 30 94.807 7.008 7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.075 6.828 9.950 1.00 0.00 H new ATOM 0 HB3 ASP A 30 96.498 5.475 8.998 1.00 0.00 H new ATOM 447 N VAL A 31 93.197 6.133 9.627 1.00 0.00 N ATOM 448 CA VAL A 31 92.255 5.555 10.625 1.00 0.00 C ATOM 449 C VAL A 31 92.194 4.047 10.449 1.00 0.00 C ATOM 450 O VAL A 31 92.402 3.523 9.373 1.00 0.00 O ATOM 451 CB VAL A 31 90.863 6.142 10.417 1.00 0.00 C ATOM 452 CG1 VAL A 31 89.981 5.734 11.595 1.00 0.00 C ATOM 453 CG2 VAL A 31 90.955 7.676 10.343 1.00 0.00 C ATOM 0 H VAL A 31 92.875 6.094 8.660 1.00 0.00 H new ATOM 0 HA VAL A 31 92.604 5.794 11.630 1.00 0.00 H new ATOM 0 HB VAL A 31 90.435 5.769 9.486 1.00 0.00 H new ATOM 0 HG11 VAL A 31 88.981 6.147 11.461 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.921 4.647 11.645 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.410 6.117 12.521 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.959 8.093 10.194 1.00 0.00 H new ATOM 0 HG22 VAL A 31 91.375 8.061 11.273 1.00 0.00 H new ATOM 0 HG23 VAL A 31 91.597 7.962 9.510 1.00 0.00 H new ATOM 463 N THR A 32 91.900 3.352 11.508 1.00 0.00 N ATOM 464 CA THR A 32 91.802 1.865 11.451 1.00 0.00 C ATOM 465 C THR A 32 90.523 1.450 12.182 1.00 0.00 C ATOM 466 O THR A 32 90.263 1.882 13.287 1.00 0.00 O ATOM 467 CB THR A 32 93.040 1.246 12.143 1.00 0.00 C ATOM 468 OG1 THR A 32 93.823 2.289 12.706 1.00 0.00 O ATOM 469 CG2 THR A 32 93.904 0.459 11.145 1.00 0.00 C ATOM 0 H THR A 32 91.720 3.756 12.427 1.00 0.00 H new ATOM 0 HA THR A 32 91.770 1.516 10.419 1.00 0.00 H new ATOM 0 HB THR A 32 92.694 0.559 12.916 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.609 1.906 13.148 1.00 0.00 H new ATOM 0 HG21 THR A 32 94.765 0.037 11.663 1.00 0.00 H new ATOM 0 HG22 THR A 32 93.313 -0.346 10.708 1.00 0.00 H new ATOM 0 HG23 THR A 32 94.247 1.127 10.355 1.00 0.00 H new ATOM 477 N LEU A 33 89.726 0.624 11.565 1.00 0.00 N ATOM 478 CA LEU A 33 88.447 0.177 12.187 1.00 0.00 C ATOM 479 C LEU A 33 88.520 -1.322 12.476 1.00 0.00 C ATOM 480 O LEU A 33 88.542 -2.132 11.577 1.00 0.00 O ATOM 481 CB LEU A 33 87.314 0.449 11.186 1.00 0.00 C ATOM 482 CG LEU A 33 86.799 1.901 11.289 1.00 0.00 C ATOM 483 CD1 LEU A 33 85.888 2.067 12.507 1.00 0.00 C ATOM 484 CD2 LEU A 33 87.967 2.886 11.400 1.00 0.00 C ATOM 0 H LEU A 33 89.909 0.233 10.641 1.00 0.00 H new ATOM 0 HA LEU A 33 88.269 0.711 13.120 1.00 0.00 H new ATOM 0 HB2 LEU A 33 87.670 0.260 10.173 1.00 0.00 H new ATOM 0 HB3 LEU A 33 86.492 -0.243 11.370 1.00 0.00 H new ATOM 0 HG LEU A 33 86.233 2.115 10.382 1.00 0.00 H new ATOM 0 HD11 LEU A 33 85.536 3.097 12.561 1.00 0.00 H new ATOM 0 HD12 LEU A 33 85.034 1.396 12.416 1.00 0.00 H new ATOM 0 HD13 LEU A 33 86.444 1.826 13.413 1.00 0.00 H new ATOM 0 HD21 LEU A 33 87.580 3.903 11.471 1.00 0.00 H new ATOM 0 HD22 LEU A 33 88.553 2.657 12.290 1.00 0.00 H new ATOM 0 HD23 LEU A 33 88.601 2.800 10.517 1.00 0.00 H new ATOM 496 N ARG A 34 88.528 -1.687 13.726 1.00 0.00 N ATOM 497 CA ARG A 34 88.580 -3.125 14.095 1.00 0.00 C ATOM 498 C ARG A 34 87.360 -3.812 13.504 1.00 0.00 C ATOM 499 O ARG A 34 86.250 -3.644 13.967 1.00 0.00 O ATOM 500 CB ARG A 34 88.555 -3.263 15.619 1.00 0.00 C ATOM 501 CG ARG A 34 88.788 -4.729 16.010 1.00 0.00 C ATOM 502 CD ARG A 34 90.231 -5.150 15.696 1.00 0.00 C ATOM 503 NE ARG A 34 90.651 -6.219 16.647 1.00 0.00 N ATOM 504 CZ ARG A 34 90.827 -5.938 17.910 1.00 0.00 C ATOM 505 NH1 ARG A 34 91.187 -6.875 18.743 1.00 0.00 N ATOM 506 NH2 ARG A 34 90.647 -4.719 18.339 1.00 0.00 N ATOM 0 H ARG A 34 88.500 -1.042 14.516 1.00 0.00 H new ATOM 0 HA ARG A 34 89.493 -3.580 13.712 1.00 0.00 H new ATOM 0 HB2 ARG A 34 89.324 -2.631 16.064 1.00 0.00 H new ATOM 0 HB3 ARG A 34 87.597 -2.921 16.009 1.00 0.00 H new ATOM 0 HG2 ARG A 34 88.587 -4.864 17.073 1.00 0.00 H new ATOM 0 HG3 ARG A 34 88.091 -5.370 15.470 1.00 0.00 H new ATOM 0 HD2 ARG A 34 90.301 -5.512 14.670 1.00 0.00 H new ATOM 0 HD3 ARG A 34 90.898 -4.292 15.778 1.00 0.00 H new ATOM 0 HE ARG A 34 90.801 -7.170 16.311 1.00 0.00 H new ATOM 0 HH11 ARG A 34 91.331 -7.828 18.408 1.00 0.00 H new ATOM 0 HH12 ARG A 34 91.324 -6.655 19.730 1.00 0.00 H new ATOM 0 HH21 ARG A 34 90.369 -3.985 17.688 1.00 0.00 H new ATOM 0 HH22 ARG A 34 90.785 -4.500 19.326 1.00 0.00 H new ATOM 520 N VAL A 35 87.564 -4.569 12.462 1.00 0.00 N ATOM 521 CA VAL A 35 86.430 -5.264 11.792 1.00 0.00 C ATOM 522 C VAL A 35 86.807 -6.704 11.485 1.00 0.00 C ATOM 523 O VAL A 35 87.829 -7.204 11.913 1.00 0.00 O ATOM 524 CB VAL A 35 86.118 -4.558 10.476 1.00 0.00 C ATOM 525 CG1 VAL A 35 85.558 -3.166 10.763 1.00 0.00 C ATOM 526 CG2 VAL A 35 87.392 -4.432 9.635 1.00 0.00 C ATOM 0 H VAL A 35 88.478 -4.737 12.042 1.00 0.00 H new ATOM 0 HA VAL A 35 85.564 -5.245 12.453 1.00 0.00 H new ATOM 0 HB VAL A 35 85.381 -5.142 9.924 1.00 0.00 H new ATOM 0 HG11 VAL A 35 85.335 -2.662 9.822 1.00 0.00 H new ATOM 0 HG12 VAL A 35 84.645 -3.255 11.352 1.00 0.00 H new ATOM 0 HG13 VAL A 35 86.294 -2.586 11.320 1.00 0.00 H new ATOM 0 HG21 VAL A 35 87.160 -3.927 8.697 1.00 0.00 H new ATOM 0 HG22 VAL A 35 88.135 -3.854 10.185 1.00 0.00 H new ATOM 0 HG23 VAL A 35 87.788 -5.425 9.424 1.00 0.00 H new ATOM 536 N THR A 36 85.981 -7.369 10.728 1.00 0.00 N ATOM 537 CA THR A 36 86.254 -8.779 10.354 1.00 0.00 C ATOM 538 C THR A 36 85.807 -8.977 8.909 1.00 0.00 C ATOM 539 O THR A 36 85.240 -8.092 8.304 1.00 0.00 O ATOM 540 CB THR A 36 85.460 -9.717 11.268 1.00 0.00 C ATOM 541 OG1 THR A 36 84.139 -9.223 11.419 1.00 0.00 O ATOM 542 CG2 THR A 36 86.124 -9.801 12.639 1.00 0.00 C ATOM 0 H THR A 36 85.115 -6.987 10.348 1.00 0.00 H new ATOM 0 HA THR A 36 87.316 -9.001 10.459 1.00 0.00 H new ATOM 0 HB THR A 36 85.436 -10.710 10.820 1.00 0.00 H new ATOM 0 HG1 THR A 36 83.630 -9.824 12.002 1.00 0.00 H new ATOM 0 HG21 THR A 36 85.551 -10.471 13.280 1.00 0.00 H new ATOM 0 HG22 THR A 36 87.139 -10.184 12.529 1.00 0.00 H new ATOM 0 HG23 THR A 36 86.158 -8.809 13.088 1.00 0.00 H new ATOM 550 N GLY A 37 86.049 -10.122 8.351 1.00 0.00 N ATOM 551 CA GLY A 37 85.629 -10.367 6.950 1.00 0.00 C ATOM 552 C GLY A 37 84.139 -10.672 6.924 1.00 0.00 C ATOM 553 O GLY A 37 83.688 -11.617 6.309 1.00 0.00 O ATOM 0 H GLY A 37 86.522 -10.903 8.806 1.00 0.00 H new ATOM 0 HA2 GLY A 37 85.845 -9.494 6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 37 86.191 -11.201 6.529 1.00 0.00 H new ATOM 557 N GLU A 38 83.368 -9.867 7.593 1.00 0.00 N ATOM 558 CA GLU A 38 81.899 -10.080 7.621 1.00 0.00 C ATOM 559 C GLU A 38 81.200 -8.721 7.713 1.00 0.00 C ATOM 560 O GLU A 38 79.988 -8.638 7.693 1.00 0.00 O ATOM 561 CB GLU A 38 81.534 -10.940 8.836 1.00 0.00 C ATOM 562 CG GLU A 38 81.592 -10.100 10.132 1.00 0.00 C ATOM 563 CD GLU A 38 80.210 -9.509 10.439 1.00 0.00 C ATOM 564 OE1 GLU A 38 79.417 -10.198 11.059 1.00 0.00 O ATOM 565 OE2 GLU A 38 79.973 -8.377 10.049 1.00 0.00 O ATOM 0 H GLU A 38 83.696 -9.062 8.127 1.00 0.00 H new ATOM 0 HA GLU A 38 81.578 -10.591 6.713 1.00 0.00 H new ATOM 0 HB2 GLU A 38 80.534 -11.354 8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.221 -11.783 8.911 1.00 0.00 H new ATOM 0 HG2 GLU A 38 81.923 -10.722 10.963 1.00 0.00 H new ATOM 0 HG3 GLU A 38 82.323 -9.299 10.023 1.00 0.00 H new ATOM 572 N VAL A 39 81.951 -7.649 7.823 1.00 0.00 N ATOM 573 CA VAL A 39 81.312 -6.309 7.926 1.00 0.00 C ATOM 574 C VAL A 39 81.041 -5.751 6.536 1.00 0.00 C ATOM 575 O VAL A 39 81.915 -5.674 5.706 1.00 0.00 O ATOM 576 CB VAL A 39 82.215 -5.354 8.724 1.00 0.00 C ATOM 577 CG1 VAL A 39 82.889 -6.144 9.840 1.00 0.00 C ATOM 578 CG2 VAL A 39 83.287 -4.705 7.820 1.00 0.00 C ATOM 0 H VAL A 39 82.971 -7.649 7.845 1.00 0.00 H new ATOM 0 HA VAL A 39 80.362 -6.408 8.451 1.00 0.00 H new ATOM 0 HB VAL A 39 81.604 -4.552 9.138 1.00 0.00 H new ATOM 0 HG11 VAL A 39 83.534 -5.481 10.417 1.00 0.00 H new ATOM 0 HG12 VAL A 39 82.129 -6.570 10.494 1.00 0.00 H new ATOM 0 HG13 VAL A 39 83.487 -6.946 9.408 1.00 0.00 H new ATOM 0 HG21 VAL A 39 83.908 -4.036 8.415 1.00 0.00 H new ATOM 0 HG22 VAL A 39 83.911 -5.483 7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 39 82.799 -4.138 7.027 1.00 0.00 H new ATOM 588 N HIS A 40 79.847 -5.334 6.281 1.00 0.00 N ATOM 589 CA HIS A 40 79.560 -4.762 4.943 1.00 0.00 C ATOM 590 C HIS A 40 80.409 -3.498 4.777 1.00 0.00 C ATOM 591 O HIS A 40 80.719 -2.820 5.738 1.00 0.00 O ATOM 592 CB HIS A 40 78.063 -4.424 4.826 1.00 0.00 C ATOM 593 CG HIS A 40 77.260 -5.384 5.662 1.00 0.00 C ATOM 594 ND1 HIS A 40 77.103 -6.716 5.313 1.00 0.00 N ATOM 595 CD2 HIS A 40 76.560 -5.217 6.831 1.00 0.00 C ATOM 596 CE1 HIS A 40 76.336 -7.293 6.256 1.00 0.00 C ATOM 597 NE2 HIS A 40 75.978 -6.424 7.205 1.00 0.00 N ATOM 0 H HIS A 40 79.060 -5.361 6.930 1.00 0.00 H new ATOM 0 HA HIS A 40 79.805 -5.480 4.161 1.00 0.00 H new ATOM 0 HB2 HIS A 40 77.884 -3.401 5.157 1.00 0.00 H new ATOM 0 HB3 HIS A 40 77.747 -4.482 3.784 1.00 0.00 H new ATOM 0 HD2 HIS A 40 76.474 -4.289 7.377 1.00 0.00 H new ATOM 0 HE1 HIS A 40 76.045 -8.333 6.247 1.00 0.00 H new ATOM 0 HE2 HIS A 40 75.402 -6.606 8.027 1.00 0.00 H new ATOM 605 N ILE A 41 80.795 -3.174 3.575 1.00 0.00 N ATOM 606 CA ILE A 41 81.622 -1.949 3.368 1.00 0.00 C ATOM 607 C ILE A 41 80.953 -0.788 4.085 1.00 0.00 C ATOM 608 O ILE A 41 81.546 -0.122 4.907 1.00 0.00 O ATOM 609 CB ILE A 41 81.696 -1.633 1.881 1.00 0.00 C ATOM 610 CG1 ILE A 41 82.129 -2.884 1.117 1.00 0.00 C ATOM 611 CG2 ILE A 41 82.702 -0.512 1.632 1.00 0.00 C ATOM 612 CD1 ILE A 41 82.289 -2.567 -0.375 1.00 0.00 C ATOM 0 H ILE A 41 80.576 -3.700 2.729 1.00 0.00 H new ATOM 0 HA ILE A 41 82.627 -2.109 3.758 1.00 0.00 H new ATOM 0 HB ILE A 41 80.713 -1.312 1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 41 83.071 -3.257 1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 41 81.390 -3.674 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 41 82.747 -0.294 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 41 82.391 0.382 2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 41 83.687 -0.823 1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 41 82.598 -3.467 -0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 41 81.338 -2.216 -0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 41 83.045 -1.792 -0.503 1.00 0.00 H new ATOM 624 N GLY A 42 79.713 -0.551 3.781 1.00 0.00 N ATOM 625 CA GLY A 42 78.993 0.554 4.450 1.00 0.00 C ATOM 626 C GLY A 42 79.070 0.329 5.949 1.00 0.00 C ATOM 627 O GLY A 42 78.785 1.199 6.745 1.00 0.00 O ATOM 0 H GLY A 42 79.168 -1.076 3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 42 79.438 1.513 4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 42 77.954 0.584 4.123 1.00 0.00 H new ATOM 631 N GLY A 43 79.492 -0.835 6.337 1.00 0.00 N ATOM 632 CA GLY A 43 79.627 -1.123 7.784 1.00 0.00 C ATOM 633 C GLY A 43 80.723 -0.217 8.327 1.00 0.00 C ATOM 634 O GLY A 43 80.735 0.162 9.481 1.00 0.00 O ATOM 0 H GLY A 43 79.750 -1.600 5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 43 78.685 -0.939 8.302 1.00 0.00 H new ATOM 0 HA3 GLY A 43 79.880 -2.171 7.945 1.00 0.00 H new ATOM 638 N VAL A 44 81.635 0.147 7.473 1.00 0.00 N ATOM 639 CA VAL A 44 82.746 1.047 7.876 1.00 0.00 C ATOM 640 C VAL A 44 82.245 2.497 7.791 1.00 0.00 C ATOM 641 O VAL A 44 82.466 3.288 8.687 1.00 0.00 O ATOM 642 CB VAL A 44 83.940 0.799 6.925 1.00 0.00 C ATOM 643 CG1 VAL A 44 84.789 2.065 6.761 1.00 0.00 C ATOM 644 CG2 VAL A 44 84.825 -0.314 7.494 1.00 0.00 C ATOM 0 H VAL A 44 81.657 -0.147 6.496 1.00 0.00 H new ATOM 0 HA VAL A 44 83.074 0.854 8.898 1.00 0.00 H new ATOM 0 HB VAL A 44 83.542 0.512 5.952 1.00 0.00 H new ATOM 0 HG11 VAL A 44 85.621 1.860 6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 44 84.174 2.864 6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 44 85.176 2.372 7.733 1.00 0.00 H new ATOM 0 HG21 VAL A 44 85.666 -0.488 6.823 1.00 0.00 H new ATOM 0 HG22 VAL A 44 85.198 -0.017 8.474 1.00 0.00 H new ATOM 0 HG23 VAL A 44 84.241 -1.230 7.590 1.00 0.00 H new ATOM 654 N MET A 45 81.557 2.847 6.728 1.00 0.00 N ATOM 655 CA MET A 45 81.028 4.242 6.604 1.00 0.00 C ATOM 656 C MET A 45 80.358 4.620 7.927 1.00 0.00 C ATOM 657 O MET A 45 80.432 5.743 8.383 1.00 0.00 O ATOM 658 CB MET A 45 79.973 4.302 5.481 1.00 0.00 C ATOM 659 CG MET A 45 80.633 4.289 4.085 1.00 0.00 C ATOM 660 SD MET A 45 79.590 5.197 2.905 1.00 0.00 S ATOM 661 CE MET A 45 78.223 4.010 2.750 1.00 0.00 C ATOM 0 H MET A 45 81.341 2.230 5.946 1.00 0.00 H new ATOM 0 HA MET A 45 81.843 4.927 6.372 1.00 0.00 H new ATOM 0 HB2 MET A 45 79.294 3.454 5.572 1.00 0.00 H new ATOM 0 HB3 MET A 45 79.372 5.205 5.592 1.00 0.00 H new ATOM 0 HG2 MET A 45 81.622 4.744 4.136 1.00 0.00 H new ATOM 0 HG3 MET A 45 80.771 3.262 3.747 1.00 0.00 H new ATOM 0 HE1 MET A 45 78.245 3.558 1.759 1.00 0.00 H new ATOM 0 HE2 MET A 45 78.329 3.232 3.506 1.00 0.00 H new ATOM 0 HE3 MET A 45 77.274 4.527 2.892 1.00 0.00 H new ATOM 671 N LEU A 46 79.703 3.674 8.537 1.00 0.00 N ATOM 672 CA LEU A 46 79.013 3.939 9.831 1.00 0.00 C ATOM 673 C LEU A 46 80.034 4.218 10.938 1.00 0.00 C ATOM 674 O LEU A 46 80.089 5.299 11.489 1.00 0.00 O ATOM 675 CB LEU A 46 78.196 2.700 10.221 1.00 0.00 C ATOM 676 CG LEU A 46 77.191 3.060 11.345 1.00 0.00 C ATOM 677 CD1 LEU A 46 75.832 3.428 10.742 1.00 0.00 C ATOM 678 CD2 LEU A 46 77.012 1.866 12.291 1.00 0.00 C ATOM 0 H LEU A 46 79.615 2.718 8.192 1.00 0.00 H new ATOM 0 HA LEU A 46 78.366 4.809 9.713 1.00 0.00 H new ATOM 0 HB2 LEU A 46 77.661 2.319 9.351 1.00 0.00 H new ATOM 0 HB3 LEU A 46 78.862 1.906 10.558 1.00 0.00 H new ATOM 0 HG LEU A 46 77.584 3.912 11.900 1.00 0.00 H new ATOM 0 HD11 LEU A 46 75.135 3.679 11.542 1.00 0.00 H new ATOM 0 HD12 LEU A 46 75.948 4.286 10.080 1.00 0.00 H new ATOM 0 HD13 LEU A 46 75.444 2.582 10.175 1.00 0.00 H new ATOM 0 HD21 LEU A 46 76.304 2.128 13.078 1.00 0.00 H new ATOM 0 HD22 LEU A 46 76.632 1.012 11.731 1.00 0.00 H new ATOM 0 HD23 LEU A 46 77.972 1.609 12.738 1.00 0.00 H new ATOM 690 N LYS A 47 80.821 3.238 11.285 1.00 0.00 N ATOM 691 CA LYS A 47 81.818 3.425 12.379 1.00 0.00 C ATOM 692 C LYS A 47 82.699 4.652 12.116 1.00 0.00 C ATOM 693 O LYS A 47 82.834 5.512 12.961 1.00 0.00 O ATOM 694 CB LYS A 47 82.688 2.175 12.481 1.00 0.00 C ATOM 695 CG LYS A 47 81.792 0.941 12.577 1.00 0.00 C ATOM 696 CD LYS A 47 82.649 -0.305 12.841 1.00 0.00 C ATOM 697 CE LYS A 47 81.835 -1.578 12.568 1.00 0.00 C ATOM 698 NZ LYS A 47 82.377 -2.697 13.391 1.00 0.00 N ATOM 0 H LYS A 47 80.817 2.312 10.857 1.00 0.00 H new ATOM 0 HA LYS A 47 81.285 3.586 13.316 1.00 0.00 H new ATOM 0 HB2 LYS A 47 83.339 2.099 11.610 1.00 0.00 H new ATOM 0 HB3 LYS A 47 83.334 2.238 13.357 1.00 0.00 H new ATOM 0 HG2 LYS A 47 81.065 1.070 13.379 1.00 0.00 H new ATOM 0 HG3 LYS A 47 81.228 0.817 11.652 1.00 0.00 H new ATOM 0 HD2 LYS A 47 83.534 -0.288 12.205 1.00 0.00 H new ATOM 0 HD3 LYS A 47 82.998 -0.303 13.874 1.00 0.00 H new ATOM 0 HE2 LYS A 47 80.785 -1.410 12.808 1.00 0.00 H new ATOM 0 HE3 LYS A 47 81.883 -1.834 11.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 81.827 -3.561 13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 83.373 -2.861 13.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 82.309 -2.451 14.399 1.00 0.00 H new ATOM 712 N LEU A 48 83.318 4.740 10.970 1.00 0.00 N ATOM 713 CA LEU A 48 84.199 5.918 10.691 1.00 0.00 C ATOM 714 C LEU A 48 83.482 7.215 11.116 1.00 0.00 C ATOM 715 O LEU A 48 83.969 7.952 11.951 1.00 0.00 O ATOM 716 CB LEU A 48 84.553 5.952 9.176 1.00 0.00 C ATOM 717 CG LEU A 48 86.063 5.722 8.972 1.00 0.00 C ATOM 718 CD1 LEU A 48 86.367 5.385 7.519 1.00 0.00 C ATOM 719 CD2 LEU A 48 86.837 6.982 9.341 1.00 0.00 C ATOM 0 H LEU A 48 83.255 4.054 10.218 1.00 0.00 H new ATOM 0 HA LEU A 48 85.123 5.833 11.263 1.00 0.00 H new ATOM 0 HB2 LEU A 48 83.987 5.186 8.647 1.00 0.00 H new ATOM 0 HB3 LEU A 48 84.264 6.913 8.750 1.00 0.00 H new ATOM 0 HG LEU A 48 86.363 4.891 9.611 1.00 0.00 H new ATOM 0 HD11 LEU A 48 87.439 5.227 7.399 1.00 0.00 H new ATOM 0 HD12 LEU A 48 85.832 4.478 7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 48 86.048 6.208 6.880 1.00 0.00 H new ATOM 0 HD21 LEU A 48 87.903 6.810 9.194 1.00 0.00 H new ATOM 0 HD22 LEU A 48 86.512 7.807 8.708 1.00 0.00 H new ATOM 0 HD23 LEU A 48 86.650 7.231 10.386 1.00 0.00 H new ATOM 731 N VAL A 49 82.338 7.500 10.558 1.00 0.00 N ATOM 732 CA VAL A 49 81.614 8.750 10.951 1.00 0.00 C ATOM 733 C VAL A 49 81.424 8.782 12.470 1.00 0.00 C ATOM 734 O VAL A 49 81.739 9.757 13.123 1.00 0.00 O ATOM 735 CB VAL A 49 80.232 8.790 10.284 1.00 0.00 C ATOM 736 CG1 VAL A 49 79.488 10.048 10.755 1.00 0.00 C ATOM 737 CG2 VAL A 49 80.369 8.795 8.737 1.00 0.00 C ATOM 0 H VAL A 49 81.873 6.929 9.852 1.00 0.00 H new ATOM 0 HA VAL A 49 82.203 9.609 10.629 1.00 0.00 H new ATOM 0 HB VAL A 49 79.669 7.901 10.569 1.00 0.00 H new ATOM 0 HG11 VAL A 49 78.505 10.086 10.287 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.373 10.018 11.839 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.058 10.934 10.475 1.00 0.00 H new ATOM 0 HG21 VAL A 49 79.378 8.824 8.284 1.00 0.00 H new ATOM 0 HG22 VAL A 49 80.936 9.672 8.425 1.00 0.00 H new ATOM 0 HG23 VAL A 49 80.889 7.893 8.415 1.00 0.00 H new ATOM 747 N GLU A 50 80.895 7.727 13.034 1.00 0.00 N ATOM 748 CA GLU A 50 80.665 7.698 14.510 1.00 0.00 C ATOM 749 C GLU A 50 81.896 8.239 15.247 1.00 0.00 C ATOM 750 O GLU A 50 81.782 8.945 16.229 1.00 0.00 O ATOM 751 CB GLU A 50 80.405 6.254 14.968 1.00 0.00 C ATOM 752 CG GLU A 50 79.016 5.781 14.516 1.00 0.00 C ATOM 753 CD GLU A 50 77.932 6.602 15.220 1.00 0.00 C ATOM 754 OE1 GLU A 50 77.171 7.259 14.529 1.00 0.00 O ATOM 755 OE2 GLU A 50 77.882 6.559 16.439 1.00 0.00 O ATOM 0 H GLU A 50 80.612 6.883 12.536 1.00 0.00 H new ATOM 0 HA GLU A 50 79.800 8.321 14.740 1.00 0.00 H new ATOM 0 HB2 GLU A 50 81.170 5.594 14.558 1.00 0.00 H new ATOM 0 HB3 GLU A 50 80.480 6.193 16.054 1.00 0.00 H new ATOM 0 HG2 GLU A 50 78.920 5.886 13.435 1.00 0.00 H new ATOM 0 HG3 GLU A 50 78.890 4.723 14.746 1.00 0.00 H new ATOM 762 N LYS A 51 83.069 7.896 14.796 1.00 0.00 N ATOM 763 CA LYS A 51 84.303 8.367 15.481 1.00 0.00 C ATOM 764 C LYS A 51 84.486 9.881 15.319 1.00 0.00 C ATOM 765 O LYS A 51 84.586 10.604 16.291 1.00 0.00 O ATOM 766 CB LYS A 51 85.498 7.646 14.872 1.00 0.00 C ATOM 767 CG LYS A 51 85.435 6.162 15.240 1.00 0.00 C ATOM 768 CD LYS A 51 86.633 5.429 14.623 1.00 0.00 C ATOM 769 CE LYS A 51 86.909 4.139 15.400 1.00 0.00 C ATOM 770 NZ LYS A 51 88.142 3.490 14.867 1.00 0.00 N ATOM 0 H LYS A 51 83.227 7.307 13.978 1.00 0.00 H new ATOM 0 HA LYS A 51 84.221 8.150 16.546 1.00 0.00 H new ATOM 0 HB2 LYS A 51 85.495 7.764 13.788 1.00 0.00 H new ATOM 0 HB3 LYS A 51 86.427 8.084 15.238 1.00 0.00 H new ATOM 0 HG2 LYS A 51 85.443 6.045 16.324 1.00 0.00 H new ATOM 0 HG3 LYS A 51 84.503 5.726 14.879 1.00 0.00 H new ATOM 0 HD2 LYS A 51 86.430 5.198 13.577 1.00 0.00 H new ATOM 0 HD3 LYS A 51 87.513 6.071 14.643 1.00 0.00 H new ATOM 0 HE2 LYS A 51 87.031 4.360 16.460 1.00 0.00 H new ATOM 0 HE3 LYS A 51 86.061 3.460 15.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 87.964 2.476 14.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 88.404 3.932 13.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 88.919 3.608 15.548 1.00 0.00 H new ATOM 784 N LEU A 52 84.548 10.372 14.111 1.00 0.00 N ATOM 785 CA LEU A 52 84.743 11.828 13.913 1.00 0.00 C ATOM 786 C LEU A 52 83.556 12.577 14.521 1.00 0.00 C ATOM 787 O LEU A 52 83.694 13.292 15.490 1.00 0.00 O ATOM 788 CB LEU A 52 84.854 12.102 12.396 1.00 0.00 C ATOM 789 CG LEU A 52 86.044 13.034 12.100 1.00 0.00 C ATOM 790 CD1 LEU A 52 87.353 12.239 12.149 1.00 0.00 C ATOM 791 CD2 LEU A 52 85.903 13.657 10.706 1.00 0.00 C ATOM 0 H LEU A 52 84.471 9.823 13.255 1.00 0.00 H new ATOM 0 HA LEU A 52 85.654 12.172 14.404 1.00 0.00 H new ATOM 0 HB2 LEU A 52 84.979 11.162 11.859 1.00 0.00 H new ATOM 0 HB3 LEU A 52 83.931 12.555 12.034 1.00 0.00 H new ATOM 0 HG LEU A 52 86.055 13.822 12.853 1.00 0.00 H new ATOM 0 HD11 LEU A 52 88.191 12.904 11.939 1.00 0.00 H new ATOM 0 HD12 LEU A 52 87.476 11.802 13.140 1.00 0.00 H new ATOM 0 HD13 LEU A 52 87.324 11.445 11.403 1.00 0.00 H new ATOM 0 HD21 LEU A 52 86.752 14.313 10.513 1.00 0.00 H new ATOM 0 HD22 LEU A 52 85.877 12.867 9.955 1.00 0.00 H new ATOM 0 HD23 LEU A 52 84.980 14.235 10.657 1.00 0.00 H new ATOM 803 N ASP A 53 82.399 12.399 13.952 1.00 0.00 N ATOM 804 CA ASP A 53 81.176 13.067 14.470 1.00 0.00 C ATOM 805 C ASP A 53 81.221 14.550 14.148 1.00 0.00 C ATOM 806 O ASP A 53 81.604 15.372 14.957 1.00 0.00 O ATOM 807 CB ASP A 53 81.098 12.853 15.973 1.00 0.00 C ATOM 808 CG ASP A 53 79.642 12.919 16.449 1.00 0.00 C ATOM 809 OD1 ASP A 53 79.219 13.991 16.851 1.00 0.00 O ATOM 810 OD2 ASP A 53 78.976 11.898 16.401 1.00 0.00 O ATOM 0 H ASP A 53 82.247 11.808 13.135 1.00 0.00 H new ATOM 0 HA ASP A 53 80.292 12.640 13.997 1.00 0.00 H new ATOM 0 HB2 ASP A 53 81.528 11.885 16.231 1.00 0.00 H new ATOM 0 HB3 ASP A 53 81.689 13.612 16.486 1.00 0.00 H new ATOM 815 N VAL A 54 80.841 14.891 12.967 1.00 0.00 N ATOM 816 CA VAL A 54 80.866 16.318 12.577 1.00 0.00 C ATOM 817 C VAL A 54 80.084 16.514 11.279 1.00 0.00 C ATOM 818 O VAL A 54 79.994 15.627 10.453 1.00 0.00 O ATOM 819 CB VAL A 54 82.325 16.736 12.424 1.00 0.00 C ATOM 820 CG1 VAL A 54 83.080 15.662 11.648 1.00 0.00 C ATOM 821 CG2 VAL A 54 82.424 18.077 11.689 1.00 0.00 C ATOM 0 H VAL A 54 80.512 14.246 12.248 1.00 0.00 H new ATOM 0 HA VAL A 54 80.393 16.940 13.336 1.00 0.00 H new ATOM 0 HB VAL A 54 82.767 16.851 13.414 1.00 0.00 H new ATOM 0 HG11 VAL A 54 84.123 15.959 11.537 1.00 0.00 H new ATOM 0 HG12 VAL A 54 83.027 14.717 12.189 1.00 0.00 H new ATOM 0 HG13 VAL A 54 82.631 15.542 10.662 1.00 0.00 H new ATOM 0 HG21 VAL A 54 83.472 18.360 11.588 1.00 0.00 H new ATOM 0 HG22 VAL A 54 81.977 17.983 10.699 1.00 0.00 H new ATOM 0 HG23 VAL A 54 81.894 18.843 12.256 1.00 0.00 H new ATOM 831 N LYS A 55 79.502 17.670 11.105 1.00 0.00 N ATOM 832 CA LYS A 55 78.707 17.927 9.873 1.00 0.00 C ATOM 833 C LYS A 55 79.625 17.988 8.660 1.00 0.00 C ATOM 834 O LYS A 55 79.392 18.738 7.733 1.00 0.00 O ATOM 835 CB LYS A 55 77.948 19.253 10.012 1.00 0.00 C ATOM 836 CG LYS A 55 76.881 19.143 11.128 1.00 0.00 C ATOM 837 CD LYS A 55 75.654 19.986 10.770 1.00 0.00 C ATOM 838 CE LYS A 55 74.659 19.944 11.928 1.00 0.00 C ATOM 839 NZ LYS A 55 75.165 20.786 13.047 1.00 0.00 N ATOM 0 H LYS A 55 79.544 18.447 11.764 1.00 0.00 H new ATOM 0 HA LYS A 55 77.993 17.114 9.738 1.00 0.00 H new ATOM 0 HB2 LYS A 55 78.646 20.057 10.244 1.00 0.00 H new ATOM 0 HB3 LYS A 55 77.471 19.508 9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.589 18.101 11.261 1.00 0.00 H new ATOM 0 HG3 LYS A 55 77.299 19.481 12.076 1.00 0.00 H new ATOM 0 HD2 LYS A 55 75.952 21.015 10.568 1.00 0.00 H new ATOM 0 HD3 LYS A 55 75.189 19.604 9.861 1.00 0.00 H new ATOM 0 HE2 LYS A 55 73.685 20.306 11.598 1.00 0.00 H new ATOM 0 HE3 LYS A 55 74.520 18.917 12.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 74.390 20.981 13.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 75.929 20.283 13.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 75.530 21.683 12.669 1.00 0.00 H new ATOM 853 N LYS A 56 80.665 17.200 8.644 1.00 0.00 N ATOM 854 CA LYS A 56 81.580 17.222 7.472 1.00 0.00 C ATOM 855 C LYS A 56 80.997 16.357 6.352 1.00 0.00 C ATOM 856 O LYS A 56 80.212 15.460 6.590 1.00 0.00 O ATOM 857 CB LYS A 56 82.959 16.696 7.887 1.00 0.00 C ATOM 858 CG LYS A 56 83.892 16.609 6.656 1.00 0.00 C ATOM 859 CD LYS A 56 85.342 16.932 7.057 1.00 0.00 C ATOM 860 CE LYS A 56 85.815 15.981 8.166 1.00 0.00 C ATOM 861 NZ LYS A 56 85.422 16.534 9.493 1.00 0.00 N ATOM 0 H LYS A 56 80.918 16.547 9.386 1.00 0.00 H new ATOM 0 HA LYS A 56 81.687 18.244 7.110 1.00 0.00 H new ATOM 0 HB2 LYS A 56 83.396 17.354 8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 56 82.858 15.712 8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 56 83.842 15.610 6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 56 83.557 17.306 5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 56 85.995 16.842 6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 56 85.410 17.964 7.401 1.00 0.00 H new ATOM 0 HE2 LYS A 56 85.375 14.994 8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 56 86.897 15.857 8.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 86.171 16.337 10.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 85.285 17.562 9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 84.535 16.089 9.806 1.00 0.00 H new ATOM 875 N ASP A 57 81.367 16.627 5.130 1.00 0.00 N ATOM 876 CA ASP A 57 80.830 15.834 3.988 1.00 0.00 C ATOM 877 C ASP A 57 80.977 14.343 4.284 1.00 0.00 C ATOM 878 O ASP A 57 82.073 13.823 4.360 1.00 0.00 O ATOM 879 CB ASP A 57 81.609 16.183 2.718 1.00 0.00 C ATOM 880 CG ASP A 57 81.764 17.700 2.614 1.00 0.00 C ATOM 881 OD1 ASP A 57 82.862 18.145 2.325 1.00 0.00 O ATOM 882 OD2 ASP A 57 80.781 18.392 2.825 1.00 0.00 O ATOM 0 H ASP A 57 82.021 17.366 4.872 1.00 0.00 H new ATOM 0 HA ASP A 57 79.775 16.070 3.846 1.00 0.00 H new ATOM 0 HB2 ASP A 57 82.590 15.707 2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 57 81.087 15.799 1.842 1.00 0.00 H new ATOM 887 N TRP A 58 79.877 13.655 4.469 1.00 0.00 N ATOM 888 CA TRP A 58 79.921 12.201 4.782 1.00 0.00 C ATOM 889 C TRP A 58 79.067 11.416 3.767 1.00 0.00 C ATOM 890 O TRP A 58 79.333 10.268 3.481 1.00 0.00 O ATOM 891 CB TRP A 58 79.341 12.013 6.186 1.00 0.00 C ATOM 892 CG TRP A 58 80.404 12.224 7.220 1.00 0.00 C ATOM 893 CD1 TRP A 58 80.373 13.176 8.178 1.00 0.00 C ATOM 894 CD2 TRP A 58 81.643 11.482 7.420 1.00 0.00 C ATOM 895 NE1 TRP A 58 81.507 13.059 8.959 1.00 0.00 N ATOM 896 CE2 TRP A 58 82.320 12.030 8.530 1.00 0.00 C ATOM 897 CE3 TRP A 58 82.235 10.392 6.755 1.00 0.00 C ATOM 898 CZ2 TRP A 58 83.541 11.519 8.967 1.00 0.00 C ATOM 899 CZ3 TRP A 58 83.466 9.874 7.195 1.00 0.00 C ATOM 900 CH2 TRP A 58 84.116 10.437 8.299 1.00 0.00 C ATOM 0 H TRP A 58 78.938 14.050 4.415 1.00 0.00 H new ATOM 0 HA TRP A 58 80.946 11.834 4.730 1.00 0.00 H new ATOM 0 HB2 TRP A 58 78.524 12.716 6.346 1.00 0.00 H new ATOM 0 HB3 TRP A 58 78.923 11.011 6.283 1.00 0.00 H new ATOM 0 HD1 TRP A 58 79.590 13.908 8.312 1.00 0.00 H new ATOM 0 HE1 TRP A 58 81.717 13.660 9.756 1.00 0.00 H new ATOM 0 HE3 TRP A 58 81.741 9.951 5.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 84.040 11.958 9.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 83.912 9.037 6.678 1.00 0.00 H new ATOM 0 HH2 TRP A 58 85.061 10.035 8.633 1.00 0.00 H new ATOM 911 N SER A 59 78.030 12.014 3.246 1.00 0.00 N ATOM 912 CA SER A 59 77.148 11.282 2.281 1.00 0.00 C ATOM 913 C SER A 59 77.921 10.919 1.002 1.00 0.00 C ATOM 914 O SER A 59 77.983 9.770 0.611 1.00 0.00 O ATOM 915 CB SER A 59 75.933 12.172 1.927 1.00 0.00 C ATOM 916 OG SER A 59 76.185 13.499 2.369 1.00 0.00 O ATOM 0 H SER A 59 77.753 12.975 3.444 1.00 0.00 H new ATOM 0 HA SER A 59 76.806 10.357 2.746 1.00 0.00 H new ATOM 0 HB2 SER A 59 75.759 12.161 0.851 1.00 0.00 H new ATOM 0 HB3 SER A 59 75.031 11.783 2.400 1.00 0.00 H new ATOM 0 HG SER A 59 75.420 14.069 2.146 1.00 0.00 H new ATOM 922 N ASP A 60 78.485 11.887 0.338 1.00 0.00 N ATOM 923 CA ASP A 60 79.223 11.594 -0.926 1.00 0.00 C ATOM 924 C ASP A 60 80.508 10.822 -0.626 1.00 0.00 C ATOM 925 O ASP A 60 81.232 10.436 -1.521 1.00 0.00 O ATOM 926 CB ASP A 60 79.575 12.912 -1.615 1.00 0.00 C ATOM 927 CG ASP A 60 80.422 12.629 -2.857 1.00 0.00 C ATOM 928 OD1 ASP A 60 80.151 11.642 -3.522 1.00 0.00 O ATOM 929 OD2 ASP A 60 81.327 13.402 -3.122 1.00 0.00 O ATOM 0 H ASP A 60 78.468 12.869 0.614 1.00 0.00 H new ATOM 0 HA ASP A 60 78.591 10.987 -1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 60 78.665 13.442 -1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 60 80.122 13.559 -0.929 1.00 0.00 H new ATOM 934 N HIS A 61 80.809 10.611 0.621 1.00 0.00 N ATOM 935 CA HIS A 61 82.060 9.884 0.972 1.00 0.00 C ATOM 936 C HIS A 61 81.925 8.390 0.655 1.00 0.00 C ATOM 937 O HIS A 61 80.849 7.826 0.646 1.00 0.00 O ATOM 938 CB HIS A 61 82.374 10.131 2.473 1.00 0.00 C ATOM 939 CG HIS A 61 82.500 8.842 3.255 1.00 0.00 C ATOM 940 ND1 HIS A 61 83.683 8.123 3.307 1.00 0.00 N ATOM 941 CD2 HIS A 61 81.605 8.146 4.031 1.00 0.00 C ATOM 942 CE1 HIS A 61 83.470 7.050 4.092 1.00 0.00 C ATOM 943 NE2 HIS A 61 82.221 7.017 4.558 1.00 0.00 N ATOM 0 H HIS A 61 80.243 10.910 1.415 1.00 0.00 H new ATOM 0 HA HIS A 61 82.890 10.258 0.373 1.00 0.00 H new ATOM 0 HB2 HIS A 61 83.301 10.697 2.559 1.00 0.00 H new ATOM 0 HB3 HIS A 61 81.585 10.743 2.911 1.00 0.00 H new ATOM 0 HD1 HIS A 61 84.556 8.363 2.837 1.00 0.00 H new ATOM 0 HD2 HIS A 61 80.578 8.433 4.205 1.00 0.00 H new ATOM 0 HE1 HIS A 61 84.220 6.306 4.317 1.00 0.00 H new ATOM 951 N ALA A 62 83.038 7.763 0.405 1.00 0.00 N ATOM 952 CA ALA A 62 83.051 6.310 0.092 1.00 0.00 C ATOM 953 C ALA A 62 84.503 5.834 0.154 1.00 0.00 C ATOM 954 O ALA A 62 85.419 6.617 -0.002 1.00 0.00 O ATOM 955 CB ALA A 62 82.480 6.080 -1.310 1.00 0.00 C ATOM 0 H ALA A 62 83.957 8.206 0.405 1.00 0.00 H new ATOM 0 HA ALA A 62 82.441 5.756 0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 62 82.491 5.014 -1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 62 81.455 6.449 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 62 83.087 6.613 -2.042 1.00 0.00 H new ATOM 961 N LEU A 63 84.734 4.571 0.397 1.00 0.00 N ATOM 962 CA LEU A 63 86.145 4.079 0.485 1.00 0.00 C ATOM 963 C LEU A 63 86.593 3.550 -0.879 1.00 0.00 C ATOM 964 O LEU A 63 85.803 3.053 -1.656 1.00 0.00 O ATOM 965 CB LEU A 63 86.244 2.953 1.523 1.00 0.00 C ATOM 966 CG LEU A 63 85.730 3.420 2.897 1.00 0.00 C ATOM 967 CD1 LEU A 63 86.461 4.699 3.333 1.00 0.00 C ATOM 968 CD2 LEU A 63 84.205 3.673 2.859 1.00 0.00 C ATOM 0 H LEU A 63 84.015 3.862 0.538 1.00 0.00 H new ATOM 0 HA LEU A 63 86.789 4.905 0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 63 85.665 2.093 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 63 87.280 2.625 1.611 1.00 0.00 H new ATOM 0 HG LEU A 63 85.931 2.629 3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 63 86.087 5.018 4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 63 87.531 4.501 3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 63 86.284 5.487 2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 63 83.866 4.002 3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 63 83.982 4.444 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 63 83.690 2.752 2.587 1.00 0.00 H new ATOM 980 N TRP A 64 87.865 3.678 -1.178 1.00 0.00 N ATOM 981 CA TRP A 64 88.404 3.212 -2.499 1.00 0.00 C ATOM 982 C TRP A 64 89.605 2.284 -2.239 1.00 0.00 C ATOM 983 O TRP A 64 90.302 2.420 -1.255 1.00 0.00 O ATOM 984 CB TRP A 64 88.766 4.485 -3.328 1.00 0.00 C ATOM 985 CG TRP A 64 90.227 4.599 -3.671 1.00 0.00 C ATOM 986 CD1 TRP A 64 91.256 4.569 -2.790 1.00 0.00 C ATOM 987 CD2 TRP A 64 90.824 4.821 -4.983 1.00 0.00 C ATOM 988 NE1 TRP A 64 92.443 4.725 -3.483 1.00 0.00 N ATOM 989 CE2 TRP A 64 92.229 4.889 -4.837 1.00 0.00 C ATOM 990 CE3 TRP A 64 90.285 4.957 -6.276 1.00 0.00 C ATOM 991 CZ2 TRP A 64 93.070 5.090 -5.933 1.00 0.00 C ATOM 992 CZ3 TRP A 64 91.128 5.162 -7.381 1.00 0.00 C ATOM 993 CH2 TRP A 64 92.518 5.228 -7.209 1.00 0.00 C ATOM 0 H TRP A 64 88.561 4.090 -0.557 1.00 0.00 H new ATOM 0 HA TRP A 64 87.681 2.633 -3.073 1.00 0.00 H new ATOM 0 HB2 TRP A 64 88.186 4.482 -4.251 1.00 0.00 H new ATOM 0 HB3 TRP A 64 88.465 5.369 -2.766 1.00 0.00 H new ATOM 0 HD1 TRP A 64 91.164 4.444 -1.721 1.00 0.00 H new ATOM 0 HE1 TRP A 64 93.365 4.720 -3.046 1.00 0.00 H new ATOM 0 HE3 TRP A 64 89.216 4.903 -6.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 94.140 5.138 -5.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 90.703 5.269 -8.368 1.00 0.00 H new ATOM 0 HH2 TRP A 64 93.161 5.385 -8.062 1.00 0.00 H new ATOM 1004 N TRP A 65 89.826 1.316 -3.097 1.00 0.00 N ATOM 1005 CA TRP A 65 90.963 0.358 -2.897 1.00 0.00 C ATOM 1006 C TRP A 65 92.043 0.667 -3.933 1.00 0.00 C ATOM 1007 O TRP A 65 92.004 0.165 -5.030 1.00 0.00 O ATOM 1008 CB TRP A 65 90.445 -1.072 -3.099 1.00 0.00 C ATOM 1009 CG TRP A 65 91.415 -2.082 -2.551 1.00 0.00 C ATOM 1010 CD1 TRP A 65 92.669 -1.823 -2.101 1.00 0.00 C ATOM 1011 CD2 TRP A 65 91.222 -3.521 -2.396 1.00 0.00 C ATOM 1012 NE1 TRP A 65 93.248 -3.010 -1.685 1.00 0.00 N ATOM 1013 CE2 TRP A 65 92.399 -4.080 -1.849 1.00 0.00 C ATOM 1014 CE3 TRP A 65 90.149 -4.386 -2.678 1.00 0.00 C ATOM 1015 CZ2 TRP A 65 92.511 -5.446 -1.592 1.00 0.00 C ATOM 1016 CZ3 TRP A 65 90.260 -5.763 -2.420 1.00 0.00 C ATOM 1017 CH2 TRP A 65 91.438 -6.290 -1.879 1.00 0.00 C ATOM 0 H TRP A 65 89.265 1.147 -3.932 1.00 0.00 H new ATOM 0 HA TRP A 65 91.377 0.455 -1.893 1.00 0.00 H new ATOM 0 HB2 TRP A 65 89.480 -1.185 -2.606 1.00 0.00 H new ATOM 0 HB3 TRP A 65 90.284 -1.257 -4.161 1.00 0.00 H new ATOM 0 HD1 TRP A 65 93.138 -0.851 -2.072 1.00 0.00 H new ATOM 0 HE1 TRP A 65 94.191 -3.082 -1.303 1.00 0.00 H new ATOM 0 HE3 TRP A 65 89.235 -3.990 -3.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 93.422 -5.848 -1.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 89.431 -6.419 -2.641 1.00 0.00 H new ATOM 0 HH2 TRP A 65 91.516 -7.349 -1.684 1.00 0.00 H new ATOM 1028 N GLU A 66 92.990 1.509 -3.608 1.00 0.00 N ATOM 1029 CA GLU A 66 94.043 1.861 -4.608 1.00 0.00 C ATOM 1030 C GLU A 66 94.741 0.610 -5.139 1.00 0.00 C ATOM 1031 O GLU A 66 95.290 0.627 -6.218 1.00 0.00 O ATOM 1032 CB GLU A 66 95.071 2.803 -3.997 1.00 0.00 C ATOM 1033 CG GLU A 66 95.550 2.251 -2.662 1.00 0.00 C ATOM 1034 CD GLU A 66 96.436 3.284 -1.965 1.00 0.00 C ATOM 1035 OE1 GLU A 66 96.373 3.364 -0.749 1.00 0.00 O ATOM 1036 OE2 GLU A 66 97.163 3.977 -2.658 1.00 0.00 O ATOM 0 H GLU A 66 93.080 1.965 -2.700 1.00 0.00 H new ATOM 0 HA GLU A 66 93.551 2.363 -5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 66 95.916 2.923 -4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 66 94.633 3.791 -3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 66 94.695 2.006 -2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 66 96.106 1.327 -2.818 1.00 0.00 H new ATOM 1043 N LYS A 67 94.721 -0.485 -4.431 1.00 0.00 N ATOM 1044 CA LYS A 67 95.374 -1.692 -4.997 1.00 0.00 C ATOM 1045 C LYS A 67 94.559 -2.055 -6.232 1.00 0.00 C ATOM 1046 O LYS A 67 94.978 -2.800 -7.095 1.00 0.00 O ATOM 1047 CB LYS A 67 95.314 -2.874 -4.035 1.00 0.00 C ATOM 1048 CG LYS A 67 96.252 -2.699 -2.818 1.00 0.00 C ATOM 1049 CD LYS A 67 96.427 -1.236 -2.406 1.00 0.00 C ATOM 1050 CE LYS A 67 97.245 -1.175 -1.115 1.00 0.00 C ATOM 1051 NZ LYS A 67 98.540 -1.888 -1.312 1.00 0.00 N ATOM 0 H LYS A 67 94.293 -0.594 -3.511 1.00 0.00 H new ATOM 0 HA LYS A 67 96.424 -1.485 -5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 67 94.290 -3.001 -3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 67 95.583 -3.786 -4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 67 95.854 -3.263 -1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 67 97.228 -3.124 -3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 67 96.930 -0.680 -3.197 1.00 0.00 H new ATOM 0 HD3 LYS A 67 95.454 -0.768 -2.257 1.00 0.00 H new ATOM 0 HE2 LYS A 67 97.428 -0.137 -0.837 1.00 0.00 H new ATOM 0 HE3 LYS A 67 96.687 -1.631 -0.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 99.284 -1.415 -0.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 98.446 -2.873 -0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 98.794 -1.874 -2.320 1.00 0.00 H new ATOM 1065 N LYS A 68 93.359 -1.531 -6.274 1.00 0.00 N ATOM 1066 CA LYS A 68 92.412 -1.809 -7.391 1.00 0.00 C ATOM 1067 C LYS A 68 91.970 -0.487 -8.025 1.00 0.00 C ATOM 1068 O LYS A 68 91.353 -0.470 -9.072 1.00 0.00 O ATOM 1069 CB LYS A 68 91.161 -2.529 -6.834 1.00 0.00 C ATOM 1070 CG LYS A 68 91.528 -3.471 -5.676 1.00 0.00 C ATOM 1071 CD LYS A 68 92.164 -4.748 -6.232 1.00 0.00 C ATOM 1072 CE LYS A 68 92.834 -5.537 -5.099 1.00 0.00 C ATOM 1073 NZ LYS A 68 92.871 -6.983 -5.457 1.00 0.00 N ATOM 0 H LYS A 68 92.989 -0.905 -5.559 1.00 0.00 H new ATOM 0 HA LYS A 68 92.906 -2.434 -8.135 1.00 0.00 H new ATOM 0 HB2 LYS A 68 90.437 -1.791 -6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 68 90.681 -3.098 -7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 68 92.220 -2.975 -4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 68 90.637 -3.718 -5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 68 91.404 -5.363 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 68 92.900 -4.495 -6.995 1.00 0.00 H new ATOM 0 HE2 LYS A 68 93.845 -5.167 -4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 68 92.285 -5.395 -4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 93.325 -7.519 -4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 91.901 -7.331 -5.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 93.413 -7.109 -6.335 1.00 0.00 H new ATOM 1087 N ARG A 69 92.239 0.616 -7.377 1.00 0.00 N ATOM 1088 CA ARG A 69 91.794 1.926 -7.919 1.00 0.00 C ATOM 1089 C ARG A 69 90.295 1.821 -8.174 1.00 0.00 C ATOM 1090 O ARG A 69 89.800 2.189 -9.222 1.00 0.00 O ATOM 1091 CB ARG A 69 92.528 2.250 -9.232 1.00 0.00 C ATOM 1092 CG ARG A 69 93.984 2.682 -8.955 1.00 0.00 C ATOM 1093 CD ARG A 69 94.890 1.453 -8.861 1.00 0.00 C ATOM 1094 NE ARG A 69 95.205 0.958 -10.231 1.00 0.00 N ATOM 1095 CZ ARG A 69 96.017 1.632 -10.999 1.00 0.00 C ATOM 1096 NH1 ARG A 69 96.296 1.195 -12.196 1.00 0.00 N ATOM 1097 NH2 ARG A 69 96.550 2.744 -10.570 1.00 0.00 N ATOM 0 H ARG A 69 92.749 0.662 -6.495 1.00 0.00 H new ATOM 0 HA ARG A 69 92.017 2.724 -7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 69 92.521 1.376 -9.883 1.00 0.00 H new ATOM 0 HB3 ARG A 69 92.002 3.045 -9.761 1.00 0.00 H new ATOM 0 HG2 ARG A 69 94.333 3.341 -9.750 1.00 0.00 H new ATOM 0 HG3 ARG A 69 94.032 3.250 -8.026 1.00 0.00 H new ATOM 0 HD2 ARG A 69 95.810 1.706 -8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 69 94.398 0.669 -8.284 1.00 0.00 H new ATOM 0 HE ARG A 69 94.786 0.092 -10.569 1.00 0.00 H new ATOM 0 HH11 ARG A 69 95.880 0.327 -12.532 1.00 0.00 H new ATOM 0 HH12 ARG A 69 96.931 1.722 -12.796 1.00 0.00 H new ATOM 0 HH21 ARG A 69 96.332 3.086 -9.634 1.00 0.00 H new ATOM 0 HH22 ARG A 69 97.185 3.270 -11.171 1.00 0.00 H new ATOM 1111 N THR A 70 89.576 1.289 -7.215 1.00 0.00 N ATOM 1112 CA THR A 70 88.102 1.110 -7.370 1.00 0.00 C ATOM 1113 C THR A 70 87.368 2.009 -6.392 1.00 0.00 C ATOM 1114 O THR A 70 87.959 2.798 -5.696 1.00 0.00 O ATOM 1115 CB THR A 70 87.755 -0.356 -7.062 1.00 0.00 C ATOM 1116 OG1 THR A 70 86.472 -0.661 -7.590 1.00 0.00 O ATOM 1117 CG2 THR A 70 87.760 -0.617 -5.546 1.00 0.00 C ATOM 0 H THR A 70 89.954 0.969 -6.323 1.00 0.00 H new ATOM 0 HA THR A 70 87.804 1.368 -8.386 1.00 0.00 H new ATOM 0 HB THR A 70 88.509 -0.993 -7.525 1.00 0.00 H new ATOM 0 HG1 THR A 70 86.252 -1.596 -7.395 1.00 0.00 H new ATOM 0 HG21 THR A 70 87.512 -1.661 -5.356 1.00 0.00 H new ATOM 0 HG22 THR A 70 88.749 -0.400 -5.143 1.00 0.00 H new ATOM 0 HG23 THR A 70 87.023 0.025 -5.064 1.00 0.00 H new ATOM 1125 N TRP A 71 86.081 1.844 -6.314 1.00 0.00 N ATOM 1126 CA TRP A 71 85.249 2.622 -5.361 1.00 0.00 C ATOM 1127 C TRP A 71 84.480 1.583 -4.552 1.00 0.00 C ATOM 1128 O TRP A 71 83.577 0.939 -5.026 1.00 0.00 O ATOM 1129 CB TRP A 71 84.305 3.566 -6.128 1.00 0.00 C ATOM 1130 CG TRP A 71 84.069 3.042 -7.512 1.00 0.00 C ATOM 1131 CD1 TRP A 71 83.443 1.882 -7.815 1.00 0.00 C ATOM 1132 CD2 TRP A 71 84.454 3.638 -8.786 1.00 0.00 C ATOM 1133 NE1 TRP A 71 83.421 1.727 -9.177 1.00 0.00 N ATOM 1134 CE2 TRP A 71 84.029 2.780 -9.827 1.00 0.00 C ATOM 1135 CE3 TRP A 71 85.123 4.825 -9.136 1.00 0.00 C ATOM 1136 CZ2 TRP A 71 84.259 3.087 -11.169 1.00 0.00 C ATOM 1137 CZ3 TRP A 71 85.356 5.138 -10.486 1.00 0.00 C ATOM 1138 CH2 TRP A 71 84.924 4.270 -11.500 1.00 0.00 C ATOM 0 H TRP A 71 85.557 1.183 -6.888 1.00 0.00 H new ATOM 0 HA TRP A 71 85.847 3.257 -4.707 1.00 0.00 H new ATOM 0 HB2 TRP A 71 83.357 3.655 -5.598 1.00 0.00 H new ATOM 0 HB3 TRP A 71 84.738 4.565 -6.178 1.00 0.00 H new ATOM 0 HD1 TRP A 71 83.027 1.189 -7.099 1.00 0.00 H new ATOM 0 HE1 TRP A 71 83.004 0.927 -9.653 1.00 0.00 H new ATOM 0 HE3 TRP A 71 85.459 5.500 -8.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 83.925 2.415 -11.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 85.870 6.052 -10.744 1.00 0.00 H new ATOM 0 HH2 TRP A 71 85.105 4.516 -12.536 1.00 0.00 H new ATOM 1149 N LEU A 72 84.879 1.360 -3.352 1.00 0.00 N ATOM 1150 CA LEU A 72 84.220 0.303 -2.557 1.00 0.00 C ATOM 1151 C LEU A 72 82.749 0.629 -2.328 1.00 0.00 C ATOM 1152 O LEU A 72 82.349 1.142 -1.303 1.00 0.00 O ATOM 1153 CB LEU A 72 84.970 0.153 -1.245 1.00 0.00 C ATOM 1154 CG LEU A 72 86.424 -0.227 -1.563 1.00 0.00 C ATOM 1155 CD1 LEU A 72 87.283 -0.049 -0.316 1.00 0.00 C ATOM 1156 CD2 LEU A 72 86.512 -1.684 -2.068 1.00 0.00 C ATOM 0 H LEU A 72 85.633 1.860 -2.880 1.00 0.00 H new ATOM 0 HA LEU A 72 84.249 -0.642 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 72 84.936 1.084 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 72 84.504 -0.614 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 72 86.793 0.428 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 72 88.314 -0.319 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 72 87.243 0.991 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 72 86.907 -0.692 0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.551 -1.931 -2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 72 86.133 -2.359 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 72 85.915 -1.792 -2.973 1.00 0.00 H new ATOM 1168 N LEU A 73 81.942 0.285 -3.298 1.00 0.00 N ATOM 1169 CA LEU A 73 80.463 0.498 -3.208 1.00 0.00 C ATOM 1170 C LEU A 73 79.788 -0.871 -3.302 1.00 0.00 C ATOM 1171 O LEU A 73 78.581 -0.984 -3.382 1.00 0.00 O ATOM 1172 CB LEU A 73 79.969 1.421 -4.348 1.00 0.00 C ATOM 1173 CG LEU A 73 80.447 0.929 -5.743 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.407 0.008 -6.391 1.00 0.00 C ATOM 1175 CD2 LEU A 73 80.636 2.128 -6.678 1.00 0.00 C ATOM 0 H LEU A 73 82.252 -0.145 -4.170 1.00 0.00 H new ATOM 0 HA LEU A 73 80.213 0.983 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 73 78.880 1.465 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 73 80.332 2.435 -4.177 1.00 0.00 H new ATOM 0 HG LEU A 73 81.382 0.389 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 73 79.769 -0.320 -7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 73 79.243 -0.861 -5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.469 0.549 -6.516 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.971 1.779 -7.655 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.689 2.657 -6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 73 81.382 2.803 -6.258 1.00 0.00 H new ATOM 1187 N LYS A 74 80.577 -1.916 -3.298 1.00 0.00 N ATOM 1188 CA LYS A 74 80.025 -3.296 -3.393 1.00 0.00 C ATOM 1189 C LYS A 74 79.435 -3.693 -2.036 1.00 0.00 C ATOM 1190 O LYS A 74 79.475 -4.843 -1.645 1.00 0.00 O ATOM 1191 CB LYS A 74 81.141 -4.305 -3.774 1.00 0.00 C ATOM 1192 CG LYS A 74 82.178 -3.702 -4.765 1.00 0.00 C ATOM 1193 CD LYS A 74 81.760 -3.923 -6.239 1.00 0.00 C ATOM 1194 CE LYS A 74 80.824 -2.817 -6.711 1.00 0.00 C ATOM 1195 NZ LYS A 74 80.697 -2.876 -8.195 1.00 0.00 N ATOM 0 H LYS A 74 81.594 -1.867 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 74 79.254 -3.315 -4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 74 81.655 -4.632 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 74 80.689 -5.190 -4.221 1.00 0.00 H new ATOM 0 HG2 LYS A 74 82.285 -2.634 -4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 74 83.153 -4.157 -4.592 1.00 0.00 H new ATOM 0 HD2 LYS A 74 82.647 -3.949 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 74 81.267 -4.890 -6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 74 79.845 -2.931 -6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 74 81.210 -1.844 -6.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 80.045 -2.133 -8.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 81.631 -2.730 -8.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 80.326 -3.807 -8.475 1.00 0.00 H new ATOM 1209 N THR A 75 78.900 -2.753 -1.309 1.00 0.00 N ATOM 1210 CA THR A 75 78.324 -3.085 0.025 1.00 0.00 C ATOM 1211 C THR A 75 77.368 -4.274 -0.108 1.00 0.00 C ATOM 1212 O THR A 75 76.927 -4.840 0.872 1.00 0.00 O ATOM 1213 CB THR A 75 77.574 -1.863 0.572 1.00 0.00 C ATOM 1214 OG1 THR A 75 78.371 -0.703 0.380 1.00 0.00 O ATOM 1215 CG2 THR A 75 77.278 -2.033 2.070 1.00 0.00 C ATOM 0 H THR A 75 78.836 -1.771 -1.579 1.00 0.00 H new ATOM 0 HA THR A 75 79.125 -3.352 0.714 1.00 0.00 H new ATOM 0 HB THR A 75 76.629 -1.763 0.039 1.00 0.00 H new ATOM 0 HG1 THR A 75 77.896 0.081 0.726 1.00 0.00 H new ATOM 0 HG21 THR A 75 76.746 -1.156 2.438 1.00 0.00 H new ATOM 0 HG22 THR A 75 76.663 -2.920 2.221 1.00 0.00 H new ATOM 0 HG23 THR A 75 78.215 -2.144 2.616 1.00 0.00 H new ATOM 1223 N HIS A 76 77.051 -4.662 -1.314 1.00 0.00 N ATOM 1224 CA HIS A 76 76.134 -5.820 -1.510 1.00 0.00 C ATOM 1225 C HIS A 76 76.668 -7.024 -0.732 1.00 0.00 C ATOM 1226 O HIS A 76 76.065 -7.482 0.219 1.00 0.00 O ATOM 1227 CB HIS A 76 76.066 -6.162 -3.001 1.00 0.00 C ATOM 1228 CG HIS A 76 74.964 -7.156 -3.246 1.00 0.00 C ATOM 1229 ND1 HIS A 76 73.945 -6.919 -4.155 1.00 0.00 N ATOM 1230 CD2 HIS A 76 74.711 -8.397 -2.714 1.00 0.00 C ATOM 1231 CE1 HIS A 76 73.134 -7.993 -4.145 1.00 0.00 C ATOM 1232 NE2 HIS A 76 73.555 -8.923 -3.284 1.00 0.00 N ATOM 0 H HIS A 76 77.388 -4.226 -2.172 1.00 0.00 H new ATOM 0 HA HIS A 76 75.137 -5.567 -1.149 1.00 0.00 H new ATOM 0 HB2 HIS A 76 75.889 -5.258 -3.583 1.00 0.00 H new ATOM 0 HB3 HIS A 76 77.019 -6.573 -3.333 1.00 0.00 H new ATOM 0 HD2 HIS A 76 75.317 -8.889 -1.967 1.00 0.00 H new ATOM 0 HE1 HIS A 76 72.251 -8.091 -4.758 1.00 0.00 H new ATOM 0 HE2 HIS A 76 73.122 -9.825 -3.086 1.00 0.00 H new ATOM 1240 N TRP A 77 77.803 -7.534 -1.127 1.00 0.00 N ATOM 1241 CA TRP A 77 78.398 -8.707 -0.413 1.00 0.00 C ATOM 1242 C TRP A 77 79.220 -8.175 0.774 1.00 0.00 C ATOM 1243 O TRP A 77 78.838 -7.204 1.398 1.00 0.00 O ATOM 1244 CB TRP A 77 79.286 -9.527 -1.393 1.00 0.00 C ATOM 1245 CG TRP A 77 79.035 -9.096 -2.801 1.00 0.00 C ATOM 1246 CD1 TRP A 77 79.815 -8.237 -3.491 1.00 0.00 C ATOM 1247 CD2 TRP A 77 77.956 -9.485 -3.698 1.00 0.00 C ATOM 1248 NE1 TRP A 77 79.286 -8.071 -4.754 1.00 0.00 N ATOM 1249 CE2 TRP A 77 78.139 -8.819 -4.932 1.00 0.00 C ATOM 1250 CE3 TRP A 77 76.848 -10.341 -3.562 1.00 0.00 C ATOM 1251 CZ2 TRP A 77 77.253 -8.996 -5.996 1.00 0.00 C ATOM 1252 CZ3 TRP A 77 75.954 -10.521 -4.631 1.00 0.00 C ATOM 1253 CH2 TRP A 77 76.157 -9.850 -5.845 1.00 0.00 C ATOM 0 H TRP A 77 78.348 -7.189 -1.917 1.00 0.00 H new ATOM 0 HA TRP A 77 77.618 -9.372 -0.043 1.00 0.00 H new ATOM 0 HB2 TRP A 77 80.338 -9.388 -1.145 1.00 0.00 H new ATOM 0 HB3 TRP A 77 79.071 -10.590 -1.287 1.00 0.00 H new ATOM 0 HD1 TRP A 77 80.707 -7.758 -3.116 1.00 0.00 H new ATOM 0 HE1 TRP A 77 79.693 -7.469 -5.470 1.00 0.00 H new ATOM 0 HE3 TRP A 77 76.684 -10.863 -2.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 77.413 -8.477 -6.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 75.106 -11.180 -4.517 1.00 0.00 H new ATOM 0 HH2 TRP A 77 75.467 -9.993 -6.663 1.00 0.00 H new ATOM 1264 N THR A 78 80.344 -8.783 1.090 1.00 0.00 N ATOM 1265 CA THR A 78 81.179 -8.291 2.222 1.00 0.00 C ATOM 1266 C THR A 78 82.616 -8.168 1.718 1.00 0.00 C ATOM 1267 O THR A 78 82.952 -8.604 0.637 1.00 0.00 O ATOM 1268 CB THR A 78 81.089 -9.303 3.401 1.00 0.00 C ATOM 1269 OG1 THR A 78 80.079 -10.257 3.109 1.00 0.00 O ATOM 1270 CG2 THR A 78 80.740 -8.602 4.729 1.00 0.00 C ATOM 0 H THR A 78 80.714 -9.601 0.606 1.00 0.00 H new ATOM 0 HA THR A 78 80.832 -7.322 2.580 1.00 0.00 H new ATOM 0 HB THR A 78 82.062 -9.782 3.514 1.00 0.00 H new ATOM 0 HG1 THR A 78 79.903 -10.801 3.905 1.00 0.00 H new ATOM 0 HG21 THR A 78 80.686 -9.342 5.528 1.00 0.00 H new ATOM 0 HG22 THR A 78 81.510 -7.867 4.966 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.777 -8.101 4.634 1.00 0.00 H new ATOM 1278 N LEU A 79 83.454 -7.565 2.486 1.00 0.00 N ATOM 1279 CA LEU A 79 84.861 -7.401 2.057 1.00 0.00 C ATOM 1280 C LEU A 79 85.498 -8.765 1.833 1.00 0.00 C ATOM 1281 O LEU A 79 86.066 -9.024 0.791 1.00 0.00 O ATOM 1282 CB LEU A 79 85.615 -6.569 3.068 1.00 0.00 C ATOM 1283 CG LEU A 79 85.777 -7.254 4.416 1.00 0.00 C ATOM 1284 CD1 LEU A 79 86.591 -6.336 5.322 1.00 0.00 C ATOM 1285 CD2 LEU A 79 84.409 -7.505 5.072 1.00 0.00 C ATOM 0 H LEU A 79 83.229 -7.173 3.401 1.00 0.00 H new ATOM 0 HA LEU A 79 84.900 -6.867 1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 79 86.601 -6.332 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 79 85.093 -5.623 3.210 1.00 0.00 H new ATOM 0 HG LEU A 79 86.275 -8.212 4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 79 86.720 -6.807 6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 79 87.568 -6.156 4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 79 86.067 -5.388 5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 79 84.552 -7.996 6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 79 83.897 -6.554 5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 79 83.807 -8.143 4.425 1.00 0.00 H new ATOM 1297 N ASP A 80 85.379 -9.647 2.778 1.00 0.00 N ATOM 1298 CA ASP A 80 85.936 -11.019 2.612 1.00 0.00 C ATOM 1299 C ASP A 80 85.598 -11.529 1.219 1.00 0.00 C ATOM 1300 O ASP A 80 86.360 -12.229 0.584 1.00 0.00 O ATOM 1301 CB ASP A 80 85.251 -11.922 3.625 1.00 0.00 C ATOM 1302 CG ASP A 80 86.057 -13.209 3.814 1.00 0.00 C ATOM 1303 OD1 ASP A 80 87.264 -13.114 3.956 1.00 0.00 O ATOM 1304 OD2 ASP A 80 85.451 -14.269 3.815 1.00 0.00 O ATOM 0 H ASP A 80 84.915 -9.478 3.670 1.00 0.00 H new ATOM 0 HA ASP A 80 87.017 -11.010 2.754 1.00 0.00 H new ATOM 0 HB2 ASP A 80 85.152 -11.403 4.578 1.00 0.00 H new ATOM 0 HB3 ASP A 80 84.243 -12.162 3.287 1.00 0.00 H new ATOM 1309 N LYS A 81 84.440 -11.170 0.755 1.00 0.00 N ATOM 1310 CA LYS A 81 84.010 -11.615 -0.587 1.00 0.00 C ATOM 1311 C LYS A 81 84.939 -10.988 -1.604 1.00 0.00 C ATOM 1312 O LYS A 81 85.515 -11.654 -2.441 1.00 0.00 O ATOM 1313 CB LYS A 81 82.571 -11.163 -0.838 1.00 0.00 C ATOM 1314 CG LYS A 81 81.733 -11.378 0.426 1.00 0.00 C ATOM 1315 CD LYS A 81 81.943 -12.792 0.961 1.00 0.00 C ATOM 1316 CE LYS A 81 80.849 -13.134 1.978 1.00 0.00 C ATOM 1317 NZ LYS A 81 80.908 -14.588 2.301 1.00 0.00 N ATOM 0 H LYS A 81 83.770 -10.584 1.253 1.00 0.00 H new ATOM 0 HA LYS A 81 84.049 -12.702 -0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 81 82.555 -10.111 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 81 82.143 -11.724 -1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 81 82.013 -10.648 1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 81 80.678 -11.218 0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 81 81.924 -13.508 0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 81 82.924 -12.871 1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 81 80.983 -12.543 2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 81 79.869 -12.880 1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 80.166 -14.821 2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 80.760 -15.143 1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 81.839 -14.817 2.704 1.00 0.00 H new ATOM 1331 N TYR A 82 85.106 -9.706 -1.517 1.00 0.00 N ATOM 1332 CA TYR A 82 86.022 -9.027 -2.463 1.00 0.00 C ATOM 1333 C TYR A 82 87.419 -9.626 -2.264 1.00 0.00 C ATOM 1334 O TYR A 82 88.096 -9.954 -3.218 1.00 0.00 O ATOM 1335 CB TYR A 82 86.011 -7.498 -2.199 1.00 0.00 C ATOM 1336 CG TYR A 82 85.701 -6.736 -3.481 1.00 0.00 C ATOM 1337 CD1 TYR A 82 86.558 -5.717 -3.919 1.00 0.00 C ATOM 1338 CD2 TYR A 82 84.559 -7.056 -4.230 1.00 0.00 C ATOM 1339 CE1 TYR A 82 86.275 -5.023 -5.102 1.00 0.00 C ATOM 1340 CE2 TYR A 82 84.278 -6.360 -5.412 1.00 0.00 C ATOM 1341 CZ TYR A 82 85.136 -5.344 -5.848 1.00 0.00 C ATOM 1342 OH TYR A 82 84.861 -4.660 -7.013 1.00 0.00 O ATOM 0 H TYR A 82 84.650 -9.100 -0.835 1.00 0.00 H new ATOM 0 HA TYR A 82 85.707 -9.177 -3.496 1.00 0.00 H new ATOM 0 HB2 TYR A 82 85.267 -7.260 -1.439 1.00 0.00 H new ATOM 0 HB3 TYR A 82 86.979 -7.184 -1.807 1.00 0.00 H new ATOM 0 HD1 TYR A 82 87.437 -5.467 -3.344 1.00 0.00 H new ATOM 0 HD2 TYR A 82 83.896 -7.840 -3.895 1.00 0.00 H new ATOM 0 HE1 TYR A 82 86.937 -4.239 -5.439 1.00 0.00 H new ATOM 0 HE2 TYR A 82 83.398 -6.607 -5.988 1.00 0.00 H new ATOM 0 HH TYR A 82 84.381 -5.249 -7.632 1.00 0.00 H new ATOM 1352 N GLY A 83 87.848 -9.795 -1.029 1.00 0.00 N ATOM 1353 CA GLY A 83 89.207 -10.407 -0.778 1.00 0.00 C ATOM 1354 C GLY A 83 90.109 -9.375 -0.118 1.00 0.00 C ATOM 1355 O GLY A 83 91.290 -9.285 -0.384 1.00 0.00 O ATOM 0 H GLY A 83 87.325 -9.540 -0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.111 -11.285 -0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 83 89.646 -10.743 -1.717 1.00 0.00 H new ATOM 1359 N ILE A 84 89.538 -8.597 0.736 1.00 0.00 N ATOM 1360 CA ILE A 84 90.285 -7.534 1.452 1.00 0.00 C ATOM 1361 C ILE A 84 90.787 -8.087 2.787 1.00 0.00 C ATOM 1362 O ILE A 84 90.300 -9.085 3.274 1.00 0.00 O ATOM 1363 CB ILE A 84 89.285 -6.420 1.694 1.00 0.00 C ATOM 1364 CG1 ILE A 84 88.896 -5.758 0.367 1.00 0.00 C ATOM 1365 CG2 ILE A 84 89.817 -5.358 2.644 1.00 0.00 C ATOM 1366 CD1 ILE A 84 87.555 -5.035 0.532 1.00 0.00 C ATOM 0 H ILE A 84 88.549 -8.651 0.980 1.00 0.00 H new ATOM 0 HA ILE A 84 91.146 -7.180 0.885 1.00 0.00 H new ATOM 0 HB ILE A 84 88.411 -6.877 2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 84 89.667 -5.051 0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 84 88.822 -6.510 -0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 84 89.063 -4.584 2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 84 90.051 -5.814 3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 84 90.720 -4.914 2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 84 87.277 -4.564 -0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 84 86.787 -5.754 0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 84 87.645 -4.273 1.306 1.00 0.00 H new ATOM 1378 N GLN A 85 91.748 -7.442 3.386 1.00 0.00 N ATOM 1379 CA GLN A 85 92.266 -7.930 4.694 1.00 0.00 C ATOM 1380 C GLN A 85 93.100 -6.827 5.357 1.00 0.00 C ATOM 1381 O GLN A 85 93.069 -5.681 4.961 1.00 0.00 O ATOM 1382 CB GLN A 85 93.139 -9.182 4.468 1.00 0.00 C ATOM 1383 CG GLN A 85 93.026 -10.148 5.671 1.00 0.00 C ATOM 1384 CD GLN A 85 91.861 -11.113 5.454 1.00 0.00 C ATOM 1385 OE1 GLN A 85 91.995 -12.306 5.647 1.00 0.00 O ATOM 1386 NE2 GLN A 85 90.720 -10.638 5.057 1.00 0.00 N ATOM 0 H GLN A 85 92.197 -6.599 3.027 1.00 0.00 H new ATOM 0 HA GLN A 85 91.430 -8.188 5.344 1.00 0.00 H new ATOM 0 HB2 GLN A 85 92.826 -9.690 3.556 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.179 -8.887 4.328 1.00 0.00 H new ATOM 0 HG2 GLN A 85 93.955 -10.706 5.789 1.00 0.00 H new ATOM 0 HG3 GLN A 85 92.875 -9.582 6.590 1.00 0.00 H new ATOM 0 HE21 GLN A 85 90.613 -9.636 4.896 1.00 0.00 H new ATOM 0 HE22 GLN A 85 89.931 -11.266 4.906 1.00 0.00 H new ATOM 1395 N ALA A 86 93.848 -7.178 6.360 1.00 0.00 N ATOM 1396 CA ALA A 86 94.690 -6.172 7.058 1.00 0.00 C ATOM 1397 C ALA A 86 95.818 -5.715 6.138 1.00 0.00 C ATOM 1398 O ALA A 86 96.386 -4.655 6.312 1.00 0.00 O ATOM 1399 CB ALA A 86 95.288 -6.816 8.305 1.00 0.00 C ATOM 0 H ALA A 86 93.913 -8.126 6.730 1.00 0.00 H new ATOM 0 HA ALA A 86 94.082 -5.310 7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 86 95.909 -6.089 8.828 1.00 0.00 H new ATOM 0 HB2 ALA A 86 94.485 -7.148 8.964 1.00 0.00 H new ATOM 0 HB3 ALA A 86 95.897 -7.672 8.016 1.00 0.00 H new ATOM 1405 N ASP A 87 96.153 -6.510 5.163 1.00 0.00 N ATOM 1406 CA ASP A 87 97.248 -6.126 4.236 1.00 0.00 C ATOM 1407 C ASP A 87 96.689 -5.176 3.183 1.00 0.00 C ATOM 1408 O ASP A 87 97.408 -4.643 2.361 1.00 0.00 O ATOM 1409 CB ASP A 87 97.798 -7.381 3.558 1.00 0.00 C ATOM 1410 CG ASP A 87 96.638 -8.290 3.151 1.00 0.00 C ATOM 1411 OD1 ASP A 87 96.512 -9.354 3.733 1.00 0.00 O ATOM 1412 OD2 ASP A 87 95.894 -7.906 2.263 1.00 0.00 O ATOM 0 H ASP A 87 95.715 -7.410 4.969 1.00 0.00 H new ATOM 0 HA ASP A 87 98.050 -5.634 4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 87 98.384 -7.106 2.681 1.00 0.00 H new ATOM 0 HB3 ASP A 87 98.468 -7.910 4.236 1.00 0.00 H new ATOM 1417 N ALA A 88 95.403 -4.966 3.202 1.00 0.00 N ATOM 1418 CA ALA A 88 94.769 -4.059 2.209 1.00 0.00 C ATOM 1419 C ALA A 88 94.538 -2.691 2.853 1.00 0.00 C ATOM 1420 O ALA A 88 93.731 -2.553 3.744 1.00 0.00 O ATOM 1421 CB ALA A 88 93.431 -4.674 1.815 1.00 0.00 C ATOM 0 H ALA A 88 94.759 -5.389 3.870 1.00 0.00 H new ATOM 0 HA ALA A 88 95.405 -3.933 1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 88 92.937 -4.033 1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 88 93.598 -5.659 1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 88 92.801 -4.771 2.699 1.00 0.00 H new ATOM 1427 N LYS A 89 95.234 -1.674 2.410 1.00 0.00 N ATOM 1428 CA LYS A 89 95.038 -0.316 3.008 1.00 0.00 C ATOM 1429 C LYS A 89 94.082 0.490 2.142 1.00 0.00 C ATOM 1430 O LYS A 89 94.361 0.818 1.006 1.00 0.00 O ATOM 1431 CB LYS A 89 96.373 0.432 3.122 1.00 0.00 C ATOM 1432 CG LYS A 89 97.494 -0.519 3.556 1.00 0.00 C ATOM 1433 CD LYS A 89 97.321 -0.939 5.027 1.00 0.00 C ATOM 1434 CE LYS A 89 98.040 -2.265 5.262 1.00 0.00 C ATOM 1435 NZ LYS A 89 99.487 -2.113 4.939 1.00 0.00 N ATOM 0 H LYS A 89 95.927 -1.724 1.663 1.00 0.00 H new ATOM 0 HA LYS A 89 94.622 -0.439 4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 89 96.625 0.884 2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 89 96.280 1.244 3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 89 97.493 -1.403 2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 89 98.460 -0.032 3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 89 97.726 -0.171 5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 89 96.262 -1.039 5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 89 97.919 -2.577 6.299 1.00 0.00 H new ATOM 0 HE3 LYS A 89 97.598 -3.045 4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 100.019 -2.909 5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 99.613 -2.104 3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 99.840 -1.220 5.338 1.00 0.00 H new ATOM 1449 N LEU A 90 92.955 0.813 2.693 1.00 0.00 N ATOM 1450 CA LEU A 90 91.937 1.608 1.954 1.00 0.00 C ATOM 1451 C LEU A 90 92.136 3.087 2.271 1.00 0.00 C ATOM 1452 O LEU A 90 92.983 3.457 3.053 1.00 0.00 O ATOM 1453 CB LEU A 90 90.530 1.167 2.370 1.00 0.00 C ATOM 1454 CG LEU A 90 90.512 -0.347 2.567 1.00 0.00 C ATOM 1455 CD1 LEU A 90 89.086 -0.811 2.877 1.00 0.00 C ATOM 1456 CD2 LEU A 90 91.017 -1.039 1.295 1.00 0.00 C ATOM 0 H LEU A 90 92.687 0.557 3.643 1.00 0.00 H new ATOM 0 HA LEU A 90 92.051 1.446 0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 90 90.237 1.669 3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 90 89.806 1.454 1.607 1.00 0.00 H new ATOM 0 HG LEU A 90 91.163 -0.609 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 90 89.077 -1.892 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 90 88.735 -0.325 3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 90 88.429 -0.547 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.003 -2.119 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 90 90.372 -0.776 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 90 92.036 -0.714 1.084 1.00 0.00 H new ATOM 1468 N GLN A 91 91.373 3.933 1.644 1.00 0.00 N ATOM 1469 CA GLN A 91 91.485 5.403 1.885 1.00 0.00 C ATOM 1470 C GLN A 91 90.073 5.974 2.030 1.00 0.00 C ATOM 1471 O GLN A 91 89.120 5.422 1.516 1.00 0.00 O ATOM 1472 CB GLN A 91 92.138 6.109 0.684 1.00 0.00 C ATOM 1473 CG GLN A 91 93.423 5.393 0.225 1.00 0.00 C ATOM 1474 CD GLN A 91 93.656 5.666 -1.255 1.00 0.00 C ATOM 1475 OE1 GLN A 91 94.470 5.024 -1.887 1.00 0.00 O ATOM 1476 NE2 GLN A 91 92.975 6.608 -1.828 1.00 0.00 N ATOM 0 H GLN A 91 90.663 3.667 0.962 1.00 0.00 H new ATOM 0 HA GLN A 91 92.089 5.563 2.778 1.00 0.00 H new ATOM 0 HB2 GLN A 91 91.429 6.148 -0.143 1.00 0.00 H new ATOM 0 HB3 GLN A 91 92.373 7.139 0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 91 94.275 5.742 0.809 1.00 0.00 H new ATOM 0 HG3 GLN A 91 93.336 4.320 0.399 1.00 0.00 H new ATOM 0 HE21 GLN A 91 92.293 7.143 -1.291 1.00 0.00 H new ATOM 0 HE22 GLN A 91 93.121 6.814 -2.816 1.00 0.00 H new ATOM 1485 N PHE A 92 89.941 7.099 2.678 1.00 0.00 N ATOM 1486 CA PHE A 92 88.602 7.748 2.810 1.00 0.00 C ATOM 1487 C PHE A 92 88.595 8.957 1.861 1.00 0.00 C ATOM 1488 O PHE A 92 89.519 9.745 1.849 1.00 0.00 O ATOM 1489 CB PHE A 92 88.374 8.200 4.270 1.00 0.00 C ATOM 1490 CG PHE A 92 87.443 9.400 4.302 1.00 0.00 C ATOM 1491 CD1 PHE A 92 86.076 9.230 4.537 1.00 0.00 C ATOM 1492 CD2 PHE A 92 87.956 10.681 4.069 1.00 0.00 C ATOM 1493 CE1 PHE A 92 85.223 10.343 4.541 1.00 0.00 C ATOM 1494 CE2 PHE A 92 87.106 11.792 4.077 1.00 0.00 C ATOM 1495 CZ PHE A 92 85.739 11.623 4.313 1.00 0.00 C ATOM 0 H PHE A 92 90.708 7.601 3.125 1.00 0.00 H new ATOM 0 HA PHE A 92 87.801 7.054 2.553 1.00 0.00 H new ATOM 0 HB2 PHE A 92 87.947 7.382 4.850 1.00 0.00 H new ATOM 0 HB3 PHE A 92 89.327 8.456 4.733 1.00 0.00 H new ATOM 0 HD1 PHE A 92 85.677 8.242 4.715 1.00 0.00 H new ATOM 0 HD2 PHE A 92 89.012 10.812 3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 92 84.166 10.212 4.720 1.00 0.00 H new ATOM 0 HE2 PHE A 92 87.506 12.780 3.901 1.00 0.00 H new ATOM 0 HZ PHE A 92 85.082 12.480 4.319 1.00 0.00 H new ATOM 1505 N THR A 93 87.569 9.111 1.064 1.00 0.00 N ATOM 1506 CA THR A 93 87.522 10.275 0.119 1.00 0.00 C ATOM 1507 C THR A 93 86.072 10.755 -0.018 1.00 0.00 C ATOM 1508 O THR A 93 85.151 9.980 0.132 1.00 0.00 O ATOM 1509 CB THR A 93 88.042 9.836 -1.257 1.00 0.00 C ATOM 1510 OG1 THR A 93 87.429 10.625 -2.267 1.00 0.00 O ATOM 1511 CG2 THR A 93 87.705 8.362 -1.489 1.00 0.00 C ATOM 0 H THR A 93 86.764 8.486 1.024 1.00 0.00 H new ATOM 0 HA THR A 93 88.143 11.084 0.503 1.00 0.00 H new ATOM 0 HB THR A 93 89.123 9.969 -1.294 1.00 0.00 H new ATOM 0 HG1 THR A 93 87.761 10.347 -3.146 1.00 0.00 H new ATOM 0 HG21 THR A 93 88.075 8.054 -2.467 1.00 0.00 H new ATOM 0 HG22 THR A 93 88.175 7.755 -0.715 1.00 0.00 H new ATOM 0 HG23 THR A 93 86.624 8.226 -1.451 1.00 0.00 H new ATOM 1642 N SER B 547 55.873 28.186 11.860 1.00 0.00 N ATOM 1643 CA SER B 547 55.474 27.018 12.691 1.00 0.00 C ATOM 1644 C SER B 547 56.564 26.783 13.734 1.00 0.00 C ATOM 1645 O SER B 547 57.700 26.566 13.398 1.00 0.00 O ATOM 1646 CB SER B 547 55.339 25.788 11.789 1.00 0.00 C ATOM 1647 OG SER B 547 54.000 25.695 11.321 1.00 0.00 O ATOM 0 HA SER B 547 54.521 27.202 13.186 1.00 0.00 H new ATOM 0 HB2 SER B 547 56.027 25.863 10.947 1.00 0.00 H new ATOM 0 HB3 SER B 547 55.607 24.887 12.340 1.00 0.00 H new ATOM 0 HG SER B 547 53.945 25.011 10.621 1.00 0.00 H new ATOM 1653 N LEU B 548 56.242 26.842 14.990 1.00 0.00 N ATOM 1654 CA LEU B 548 57.293 26.639 16.020 1.00 0.00 C ATOM 1655 C LEU B 548 57.909 25.251 15.878 1.00 0.00 C ATOM 1656 O LEU B 548 57.213 24.272 15.761 1.00 0.00 O ATOM 1657 CB LEU B 548 56.671 26.800 17.426 1.00 0.00 C ATOM 1658 CG LEU B 548 56.975 28.203 17.984 1.00 0.00 C ATOM 1659 CD1 LEU B 548 56.179 29.258 17.212 1.00 0.00 C ATOM 1660 CD2 LEU B 548 56.601 28.271 19.461 1.00 0.00 C ATOM 0 H LEU B 548 55.304 27.021 15.348 1.00 0.00 H new ATOM 0 HA LEU B 548 58.078 27.383 15.883 1.00 0.00 H new ATOM 0 HB2 LEU B 548 55.593 26.647 17.375 1.00 0.00 H new ATOM 0 HB3 LEU B 548 57.069 26.039 18.097 1.00 0.00 H new ATOM 0 HG LEU B 548 58.041 28.399 17.871 1.00 0.00 H new ATOM 0 HD11 LEU B 548 56.400 30.247 17.614 1.00 0.00 H new ATOM 0 HD12 LEU B 548 56.456 29.224 16.158 1.00 0.00 H new ATOM 0 HD13 LEU B 548 55.113 29.056 17.313 1.00 0.00 H new ATOM 0 HD21 LEU B 548 56.820 29.267 19.846 1.00 0.00 H new ATOM 0 HD22 LEU B 548 55.537 28.063 19.577 1.00 0.00 H new ATOM 0 HD23 LEU B 548 57.178 27.532 20.017 1.00 0.00 H new ATOM 1672 N CYS B 549 59.214 25.159 15.935 1.00 0.00 N ATOM 1673 CA CYS B 549 59.859 23.826 15.838 1.00 0.00 C ATOM 1674 C CYS B 549 59.816 23.238 17.239 1.00 0.00 C ATOM 1675 O CYS B 549 60.547 23.636 18.122 1.00 0.00 O ATOM 1676 CB CYS B 549 61.315 24.016 15.376 1.00 0.00 C ATOM 1677 SG CYS B 549 62.362 22.615 15.882 1.00 0.00 S ATOM 0 H CYS B 549 59.852 25.947 16.044 1.00 0.00 H new ATOM 0 HA CYS B 549 59.359 23.169 15.127 1.00 0.00 H new ATOM 0 HB2 CYS B 549 61.343 24.120 14.291 1.00 0.00 H new ATOM 0 HB3 CYS B 549 61.714 24.940 15.795 1.00 0.00 H new ATOM 0 HG CYS B 549 61.611 21.591 16.162 1.00 0.00 H new ATOM 1682 N SER B 550 58.927 22.314 17.449 1.00 0.00 N ATOM 1683 CA SER B 550 58.781 21.716 18.799 1.00 0.00 C ATOM 1684 C SER B 550 60.136 21.264 19.306 1.00 0.00 C ATOM 1685 O SER B 550 60.878 20.570 18.639 1.00 0.00 O ATOM 1686 CB SER B 550 57.788 20.559 18.767 1.00 0.00 C ATOM 1687 OG SER B 550 57.885 19.824 19.980 1.00 0.00 O ATOM 0 H SER B 550 58.292 21.946 16.740 1.00 0.00 H new ATOM 0 HA SER B 550 58.389 22.467 19.484 1.00 0.00 H new ATOM 0 HB2 SER B 550 56.774 20.938 18.638 1.00 0.00 H new ATOM 0 HB3 SER B 550 57.996 19.909 17.917 1.00 0.00 H new ATOM 0 HG SER B 550 56.990 19.702 20.361 1.00 0.00 H new ATOM 1693 N GLY B 551 60.471 21.712 20.478 1.00 0.00 N ATOM 1694 CA GLY B 551 61.797 21.395 21.080 1.00 0.00 C ATOM 1695 C GLY B 551 62.586 22.690 21.064 1.00 0.00 C ATOM 1696 O GLY B 551 63.349 22.997 21.959 1.00 0.00 O ATOM 0 H GLY B 551 59.871 22.297 21.059 1.00 0.00 H new ATOM 0 HA2 GLY B 551 61.684 21.020 22.097 1.00 0.00 H new ATOM 0 HA3 GLY B 551 62.309 20.620 20.510 1.00 0.00 H new ATOM 1700 N CYS B 552 62.363 23.465 20.042 1.00 0.00 N ATOM 1701 CA CYS B 552 63.028 24.777 19.904 1.00 0.00 C ATOM 1702 C CYS B 552 61.986 25.847 20.216 1.00 0.00 C ATOM 1703 O CYS B 552 62.272 26.882 20.780 1.00 0.00 O ATOM 1704 CB CYS B 552 63.472 24.934 18.451 1.00 0.00 C ATOM 1705 SG CYS B 552 65.080 24.150 18.201 1.00 0.00 S ATOM 0 H CYS B 552 61.729 23.232 19.278 1.00 0.00 H new ATOM 0 HA CYS B 552 63.887 24.863 20.570 1.00 0.00 H new ATOM 0 HB2 CYS B 552 62.733 24.485 17.787 1.00 0.00 H new ATOM 0 HB3 CYS B 552 63.531 25.992 18.194 1.00 0.00 H new ATOM 0 HG CYS B 552 65.428 24.262 16.954 1.00 0.00 H new ATOM 1710 N GLN B 553 60.774 25.585 19.819 1.00 0.00 N ATOM 1711 CA GLN B 553 59.674 26.550 20.029 1.00 0.00 C ATOM 1712 C GLN B 553 60.043 27.892 19.429 1.00 0.00 C ATOM 1713 O GLN B 553 60.015 28.925 20.065 1.00 0.00 O ATOM 1714 CB GLN B 553 59.332 26.678 21.500 1.00 0.00 C ATOM 1715 CG GLN B 553 58.766 25.341 21.979 1.00 0.00 C ATOM 1716 CD GLN B 553 57.413 25.054 21.321 1.00 0.00 C ATOM 1717 OE1 GLN B 553 56.373 25.325 21.887 1.00 0.00 O ATOM 1718 NE2 GLN B 553 57.395 24.510 20.136 1.00 0.00 N ATOM 0 H GLN B 553 60.499 24.723 19.348 1.00 0.00 H new ATOM 0 HA GLN B 553 58.783 26.179 19.523 1.00 0.00 H new ATOM 0 HB2 GLN B 553 60.220 26.942 22.075 1.00 0.00 H new ATOM 0 HB3 GLN B 553 58.604 27.475 21.653 1.00 0.00 H new ATOM 0 HG2 GLN B 553 59.467 24.540 21.744 1.00 0.00 H new ATOM 0 HG3 GLN B 553 58.652 25.357 23.063 1.00 0.00 H new ATOM 0 HE21 GLN B 553 58.271 24.284 19.665 1.00 0.00 H new ATOM 0 HE22 GLN B 553 56.505 24.310 19.680 1.00 0.00 H new ATOM 1727 N LYS B 554 60.346 27.850 18.171 1.00 0.00 N ATOM 1728 CA LYS B 554 60.693 29.077 17.392 1.00 0.00 C ATOM 1729 C LYS B 554 60.043 28.929 15.999 1.00 0.00 C ATOM 1730 O LYS B 554 60.281 27.942 15.332 1.00 0.00 O ATOM 1731 CB LYS B 554 62.212 29.185 17.219 1.00 0.00 C ATOM 1732 CG LYS B 554 62.896 29.367 18.579 1.00 0.00 C ATOM 1733 CD LYS B 554 62.515 30.723 19.194 1.00 0.00 C ATOM 1734 CE LYS B 554 63.582 31.153 20.207 1.00 0.00 C ATOM 1735 NZ LYS B 554 63.655 30.149 21.306 1.00 0.00 N ATOM 0 H LYS B 554 60.370 26.989 17.625 1.00 0.00 H new ATOM 0 HA LYS B 554 60.338 29.967 17.911 1.00 0.00 H new ATOM 0 HB2 LYS B 554 62.593 28.288 16.731 1.00 0.00 H new ATOM 0 HB3 LYS B 554 62.451 30.027 16.570 1.00 0.00 H new ATOM 0 HG2 LYS B 554 62.603 28.561 19.251 1.00 0.00 H new ATOM 0 HG3 LYS B 554 63.978 29.306 18.460 1.00 0.00 H new ATOM 0 HD2 LYS B 554 62.421 31.474 18.410 1.00 0.00 H new ATOM 0 HD3 LYS B 554 61.544 30.650 19.684 1.00 0.00 H new ATOM 0 HE2 LYS B 554 64.551 31.242 19.716 1.00 0.00 H new ATOM 0 HE3 LYS B 554 63.339 32.135 20.612 1.00 0.00 H new ATOM 0 HZ1 LYS B 554 64.208 30.539 22.096 1.00 0.00 H new ATOM 0 HZ2 LYS B 554 62.694 29.923 21.634 1.00 0.00 H new ATOM 0 HZ3 LYS B 554 64.114 29.284 20.956 1.00 0.00 H new ATOM 1749 N PRO B 555 59.214 29.850 15.547 1.00 0.00 N ATOM 1750 CA PRO B 555 58.557 29.694 14.217 1.00 0.00 C ATOM 1751 C PRO B 555 59.486 29.221 13.099 1.00 0.00 C ATOM 1752 O PRO B 555 60.586 29.703 12.918 1.00 0.00 O ATOM 1753 CB PRO B 555 58.038 31.104 13.945 1.00 0.00 C ATOM 1754 CG PRO B 555 57.927 31.817 15.302 1.00 0.00 C ATOM 1755 CD PRO B 555 58.849 31.084 16.298 1.00 0.00 C ATOM 0 HA PRO B 555 57.792 28.918 14.236 1.00 0.00 H new ATOM 0 HB2 PRO B 555 58.715 31.642 13.282 1.00 0.00 H new ATOM 0 HB3 PRO B 555 57.068 31.068 13.449 1.00 0.00 H new ATOM 0 HG2 PRO B 555 58.220 32.863 15.209 1.00 0.00 H new ATOM 0 HG3 PRO B 555 56.896 31.805 15.656 1.00 0.00 H new ATOM 0 HD2 PRO B 555 59.726 31.679 16.553 1.00 0.00 H new ATOM 0 HD3 PRO B 555 58.337 30.854 17.232 1.00 0.00 H new ATOM 1763 N ILE B 556 59.005 28.278 12.342 1.00 0.00 N ATOM 1764 CA ILE B 556 59.773 27.723 11.202 1.00 0.00 C ATOM 1765 C ILE B 556 59.359 28.489 9.942 1.00 0.00 C ATOM 1766 O ILE B 556 58.327 28.222 9.358 1.00 0.00 O ATOM 1767 CB ILE B 556 59.400 26.247 11.059 1.00 0.00 C ATOM 1768 CG1 ILE B 556 59.933 25.444 12.271 1.00 0.00 C ATOM 1769 CG2 ILE B 556 60.004 25.691 9.776 1.00 0.00 C ATOM 1770 CD1 ILE B 556 59.091 24.167 12.492 1.00 0.00 C ATOM 0 H ILE B 556 58.084 27.859 12.472 1.00 0.00 H new ATOM 0 HA ILE B 556 60.848 27.817 11.355 1.00 0.00 H new ATOM 0 HB ILE B 556 58.314 26.157 11.022 1.00 0.00 H new ATOM 0 HG12 ILE B 556 60.976 25.174 12.105 1.00 0.00 H new ATOM 0 HG13 ILE B 556 59.903 26.065 13.166 1.00 0.00 H new ATOM 0 HG21 ILE B 556 59.738 24.639 9.675 1.00 0.00 H new ATOM 0 HG22 ILE B 556 59.618 26.247 8.921 1.00 0.00 H new ATOM 0 HG23 ILE B 556 61.089 25.789 9.812 1.00 0.00 H new ATOM 0 HD11 ILE B 556 59.482 23.617 13.348 1.00 0.00 H new ATOM 0 HD12 ILE B 556 58.054 24.443 12.681 1.00 0.00 H new ATOM 0 HD13 ILE B 556 59.143 23.539 11.603 1.00 0.00 H new ATOM 1782 N THR B 557 60.135 29.463 9.539 1.00 0.00 N ATOM 1783 CA THR B 557 59.765 30.280 8.339 1.00 0.00 C ATOM 1784 C THR B 557 60.523 29.812 7.096 1.00 0.00 C ATOM 1785 O THR B 557 61.608 30.267 6.796 1.00 0.00 O ATOM 1786 CB THR B 557 60.093 31.739 8.633 1.00 0.00 C ATOM 1787 OG1 THR B 557 61.486 31.959 8.457 1.00 0.00 O ATOM 1788 CG2 THR B 557 59.698 32.044 10.079 1.00 0.00 C ATOM 0 H THR B 557 61.011 29.730 9.989 1.00 0.00 H new ATOM 0 HA THR B 557 58.700 30.162 8.138 1.00 0.00 H new ATOM 0 HB THR B 557 59.545 32.391 7.953 1.00 0.00 H new ATOM 0 HG1 THR B 557 61.736 31.748 7.533 1.00 0.00 H new ATOM 0 HG21 THR B 557 59.926 33.085 10.307 1.00 0.00 H new ATOM 0 HG22 THR B 557 58.630 31.870 10.209 1.00 0.00 H new ATOM 0 HG23 THR B 557 60.256 31.395 10.753 1.00 0.00 H new ATOM 1796 N GLY B 558 59.934 28.907 6.373 1.00 0.00 N ATOM 1797 CA GLY B 558 60.561 28.376 5.132 1.00 0.00 C ATOM 1798 C GLY B 558 59.962 27.000 4.872 1.00 0.00 C ATOM 1799 O GLY B 558 58.884 26.870 4.325 1.00 0.00 O ATOM 0 H GLY B 558 59.024 28.503 6.594 1.00 0.00 H new ATOM 0 HA2 GLY B 558 60.371 29.042 4.291 1.00 0.00 H new ATOM 0 HA3 GLY B 558 61.643 28.308 5.247 1.00 0.00 H new ATOM 1803 N ARG B 559 60.642 25.978 5.302 1.00 0.00 N ATOM 1804 CA ARG B 559 60.135 24.588 5.147 1.00 0.00 C ATOM 1805 C ARG B 559 59.842 24.068 6.544 1.00 0.00 C ATOM 1806 O ARG B 559 60.463 24.484 7.500 1.00 0.00 O ATOM 1807 CB ARG B 559 61.219 23.724 4.483 1.00 0.00 C ATOM 1808 CG ARG B 559 61.108 23.830 2.954 1.00 0.00 C ATOM 1809 CD ARG B 559 60.080 22.820 2.427 1.00 0.00 C ATOM 1810 NE ARG B 559 59.601 23.257 1.086 1.00 0.00 N ATOM 1811 CZ ARG B 559 58.957 22.421 0.318 1.00 0.00 C ATOM 1812 NH1 ARG B 559 58.544 22.802 -0.860 1.00 0.00 N ATOM 1813 NH2 ARG B 559 58.726 21.204 0.729 1.00 0.00 N ATOM 0 H ARG B 559 61.548 26.049 5.765 1.00 0.00 H new ATOM 0 HA ARG B 559 59.240 24.557 4.526 1.00 0.00 H new ATOM 0 HB2 ARG B 559 62.207 24.051 4.808 1.00 0.00 H new ATOM 0 HB3 ARG B 559 61.109 22.685 4.793 1.00 0.00 H new ATOM 0 HG2 ARG B 559 60.813 24.841 2.673 1.00 0.00 H new ATOM 0 HG3 ARG B 559 62.080 23.643 2.497 1.00 0.00 H new ATOM 0 HD2 ARG B 559 60.529 21.829 2.360 1.00 0.00 H new ATOM 0 HD3 ARG B 559 59.241 22.744 3.118 1.00 0.00 H new ATOM 0 HE ARG B 559 59.776 24.210 0.768 1.00 0.00 H new ATOM 0 HH11 ARG B 559 58.725 23.753 -1.181 1.00 0.00 H new ATOM 0 HH12 ARG B 559 58.041 22.148 -1.460 1.00 0.00 H new ATOM 0 HH21 ARG B 559 59.049 20.907 1.650 1.00 0.00 H new ATOM 0 HH22 ARG B 559 58.223 20.550 0.129 1.00 0.00 H new ATOM 1827 N CYS B 560 58.906 23.172 6.689 1.00 0.00 N ATOM 1828 CA CYS B 560 58.603 22.653 8.055 1.00 0.00 C ATOM 1829 C CYS B 560 58.229 21.185 8.020 1.00 0.00 C ATOM 1830 O CYS B 560 57.329 20.763 7.321 1.00 0.00 O ATOM 1831 CB CYS B 560 57.462 23.452 8.681 1.00 0.00 C ATOM 1832 SG CYS B 560 56.009 23.384 7.603 1.00 0.00 S ATOM 0 H CYS B 560 58.344 22.780 5.933 1.00 0.00 H new ATOM 0 HA CYS B 560 59.505 22.764 8.657 1.00 0.00 H new ATOM 0 HB2 CYS B 560 57.218 23.048 9.663 1.00 0.00 H new ATOM 0 HB3 CYS B 560 57.769 24.487 8.830 1.00 0.00 H new ATOM 0 HG CYS B 560 55.969 22.232 7.001 1.00 0.00 H new ATOM 1838 N ILE B 561 58.915 20.413 8.808 1.00 0.00 N ATOM 1839 CA ILE B 561 58.629 18.969 8.890 1.00 0.00 C ATOM 1840 C ILE B 561 57.616 18.757 9.988 1.00 0.00 C ATOM 1841 O ILE B 561 57.607 19.450 10.982 1.00 0.00 O ATOM 1842 CB ILE B 561 59.913 18.231 9.241 1.00 0.00 C ATOM 1843 CG1 ILE B 561 60.874 18.435 8.085 1.00 0.00 C ATOM 1844 CG2 ILE B 561 59.646 16.731 9.432 1.00 0.00 C ATOM 1845 CD1 ILE B 561 62.157 17.651 8.335 1.00 0.00 C ATOM 0 H ILE B 561 59.675 20.733 9.408 1.00 0.00 H new ATOM 0 HA ILE B 561 58.244 18.597 7.941 1.00 0.00 H new ATOM 0 HB ILE B 561 60.326 18.615 10.174 1.00 0.00 H new ATOM 0 HG12 ILE B 561 60.412 18.107 7.154 1.00 0.00 H new ATOM 0 HG13 ILE B 561 61.101 19.495 7.972 1.00 0.00 H new ATOM 0 HG21 ILE B 561 60.578 16.224 9.682 1.00 0.00 H new ATOM 0 HG22 ILE B 561 58.928 16.589 10.240 1.00 0.00 H new ATOM 0 HG23 ILE B 561 59.242 16.313 8.510 1.00 0.00 H new ATOM 0 HD11 ILE B 561 62.843 17.801 7.502 1.00 0.00 H new ATOM 0 HD12 ILE B 561 62.623 18.000 9.256 1.00 0.00 H new ATOM 0 HD13 ILE B 561 61.923 16.590 8.426 1.00 0.00 H new ATOM 1857 N THR B 562 56.773 17.792 9.807 1.00 0.00 N ATOM 1858 CA THR B 562 55.732 17.479 10.830 1.00 0.00 C ATOM 1859 C THR B 562 55.956 16.074 11.349 1.00 0.00 C ATOM 1860 O THR B 562 56.415 15.198 10.644 1.00 0.00 O ATOM 1861 CB THR B 562 54.323 17.582 10.246 1.00 0.00 C ATOM 1862 OG1 THR B 562 54.207 18.777 9.486 1.00 0.00 O ATOM 1863 CG2 THR B 562 53.307 17.596 11.394 1.00 0.00 C ATOM 0 H THR B 562 56.755 17.192 8.982 1.00 0.00 H new ATOM 0 HA THR B 562 55.817 18.205 11.639 1.00 0.00 H new ATOM 0 HB THR B 562 54.130 16.729 9.596 1.00 0.00 H new ATOM 0 HG1 THR B 562 53.304 18.840 9.111 1.00 0.00 H new ATOM 0 HG21 THR B 562 52.299 17.669 10.987 1.00 0.00 H new ATOM 0 HG22 THR B 562 53.399 16.677 11.972 1.00 0.00 H new ATOM 0 HG23 THR B 562 53.500 18.452 12.040 1.00 0.00 H new ATOM 1871 N ALA B 563 55.653 15.872 12.591 1.00 0.00 N ATOM 1872 CA ALA B 563 55.850 14.550 13.232 1.00 0.00 C ATOM 1873 C ALA B 563 54.525 14.070 13.809 1.00 0.00 C ATOM 1874 O ALA B 563 53.508 14.058 13.144 1.00 0.00 O ATOM 1875 CB ALA B 563 56.880 14.707 14.341 1.00 0.00 C ATOM 0 H ALA B 563 55.266 16.587 13.207 1.00 0.00 H new ATOM 0 HA ALA B 563 56.201 13.818 12.505 1.00 0.00 H new ATOM 0 HB1 ALA B 563 57.041 13.745 14.827 1.00 0.00 H new ATOM 0 HB2 ALA B 563 57.820 15.061 13.917 1.00 0.00 H new ATOM 0 HB3 ALA B 563 56.518 15.428 15.074 1.00 0.00 H new ATOM 1881 N MET B 564 54.536 13.678 15.045 1.00 0.00 N ATOM 1882 CA MET B 564 53.297 13.196 15.715 1.00 0.00 C ATOM 1883 C MET B 564 52.310 14.354 15.835 1.00 0.00 C ATOM 1884 O MET B 564 51.497 14.392 16.734 1.00 0.00 O ATOM 1885 CB MET B 564 53.670 12.708 17.110 1.00 0.00 C ATOM 1886 CG MET B 564 55.028 12.005 17.058 1.00 0.00 C ATOM 1887 SD MET B 564 55.255 11.015 18.557 1.00 0.00 S ATOM 1888 CE MET B 564 56.407 9.808 17.857 1.00 0.00 C ATOM 0 H MET B 564 55.368 13.670 15.635 1.00 0.00 H new ATOM 0 HA MET B 564 52.842 12.390 15.140 1.00 0.00 H new ATOM 0 HB2 MET B 564 53.710 13.549 17.802 1.00 0.00 H new ATOM 0 HB3 MET B 564 52.908 12.024 17.483 1.00 0.00 H new ATOM 0 HG2 MET B 564 55.085 11.367 16.176 1.00 0.00 H new ATOM 0 HG3 MET B 564 55.827 12.741 16.971 1.00 0.00 H new ATOM 0 HE1 MET B 564 56.687 9.085 18.623 1.00 0.00 H new ATOM 0 HE2 MET B 564 55.930 9.289 17.026 1.00 0.00 H new ATOM 0 HE3 MET B 564 57.300 10.322 17.500 1.00 0.00 H new ATOM 1898 N ALA B 565 52.442 15.290 14.941 1.00 0.00 N ATOM 1899 CA ALA B 565 51.614 16.534 14.893 1.00 0.00 C ATOM 1900 C ALA B 565 52.525 17.679 15.291 1.00 0.00 C ATOM 1901 O ALA B 565 52.184 18.839 15.168 1.00 0.00 O ATOM 1902 CB ALA B 565 50.407 16.498 15.833 1.00 0.00 C ATOM 0 H ALA B 565 53.134 15.241 14.193 1.00 0.00 H new ATOM 0 HA ALA B 565 51.209 16.645 13.887 1.00 0.00 H new ATOM 0 HB1 ALA B 565 49.851 17.432 15.747 1.00 0.00 H new ATOM 0 HB2 ALA B 565 49.760 15.664 15.562 1.00 0.00 H new ATOM 0 HB3 ALA B 565 50.749 16.373 16.860 1.00 0.00 H new ATOM 1908 N LYS B 566 53.704 17.354 15.751 1.00 0.00 N ATOM 1909 CA LYS B 566 54.664 18.416 16.140 1.00 0.00 C ATOM 1910 C LYS B 566 55.354 18.913 14.878 1.00 0.00 C ATOM 1911 O LYS B 566 55.348 18.250 13.868 1.00 0.00 O ATOM 1912 CB LYS B 566 55.714 17.826 17.091 1.00 0.00 C ATOM 1913 CG LYS B 566 55.292 18.039 18.546 1.00 0.00 C ATOM 1914 CD LYS B 566 56.131 17.132 19.459 1.00 0.00 C ATOM 1915 CE LYS B 566 55.460 15.755 19.590 1.00 0.00 C ATOM 1916 NZ LYS B 566 56.486 14.735 19.943 1.00 0.00 N ATOM 0 H LYS B 566 54.039 16.398 15.872 1.00 0.00 H new ATOM 0 HA LYS B 566 54.145 19.234 16.639 1.00 0.00 H new ATOM 0 HB2 LYS B 566 55.836 16.761 16.893 1.00 0.00 H new ATOM 0 HB3 LYS B 566 56.681 18.297 16.913 1.00 0.00 H new ATOM 0 HG2 LYS B 566 55.429 19.083 18.827 1.00 0.00 H new ATOM 0 HG3 LYS B 566 54.232 17.814 18.666 1.00 0.00 H new ATOM 0 HD2 LYS B 566 57.135 17.019 19.050 1.00 0.00 H new ATOM 0 HD3 LYS B 566 56.237 17.590 20.443 1.00 0.00 H new ATOM 0 HE2 LYS B 566 54.685 15.787 20.356 1.00 0.00 H new ATOM 0 HE3 LYS B 566 54.971 15.486 18.654 1.00 0.00 H new ATOM 0 HZ1 LYS B 566 56.033 13.803 20.032 1.00 0.00 H new ATOM 0 HZ2 LYS B 566 57.210 14.698 19.197 1.00 0.00 H new ATOM 0 HZ3 LYS B 566 56.933 14.990 20.847 1.00 0.00 H new ATOM 1930 N LYS B 567 55.968 20.062 14.939 1.00 0.00 N ATOM 1931 CA LYS B 567 56.689 20.608 13.755 1.00 0.00 C ATOM 1932 C LYS B 567 58.179 20.419 14.008 1.00 0.00 C ATOM 1933 O LYS B 567 58.571 19.964 15.064 1.00 0.00 O ATOM 1934 CB LYS B 567 56.346 22.087 13.587 1.00 0.00 C ATOM 1935 CG LYS B 567 54.866 22.319 13.935 1.00 0.00 C ATOM 1936 CD LYS B 567 53.951 21.481 13.022 1.00 0.00 C ATOM 1937 CE LYS B 567 54.162 21.883 11.560 1.00 0.00 C ATOM 1938 NZ LYS B 567 52.970 21.482 10.760 1.00 0.00 N ATOM 0 H LYS B 567 56.001 20.653 15.770 1.00 0.00 H new ATOM 0 HA LYS B 567 56.399 20.094 12.839 1.00 0.00 H new ATOM 0 HB2 LYS B 567 56.981 22.693 14.233 1.00 0.00 H new ATOM 0 HB3 LYS B 567 56.542 22.402 12.562 1.00 0.00 H new ATOM 0 HG2 LYS B 567 54.687 22.055 14.977 1.00 0.00 H new ATOM 0 HG3 LYS B 567 54.624 23.376 13.828 1.00 0.00 H new ATOM 0 HD2 LYS B 567 54.167 20.420 13.151 1.00 0.00 H new ATOM 0 HD3 LYS B 567 52.908 21.630 13.302 1.00 0.00 H new ATOM 0 HE2 LYS B 567 54.318 22.959 11.486 1.00 0.00 H new ATOM 0 HE3 LYS B 567 55.057 21.403 11.165 1.00 0.00 H new ATOM 0 HZ1 LYS B 567 52.758 22.221 10.059 1.00 0.00 H new ATOM 0 HZ2 LYS B 567 53.166 20.586 10.270 1.00 0.00 H new ATOM 0 HZ3 LYS B 567 52.153 21.359 11.392 1.00 0.00 H new ATOM 1952 N PHE B 568 59.024 20.729 13.069 1.00 0.00 N ATOM 1953 CA PHE B 568 60.473 20.508 13.332 1.00 0.00 C ATOM 1954 C PHE B 568 61.314 21.330 12.369 1.00 0.00 C ATOM 1955 O PHE B 568 61.099 21.318 11.173 1.00 0.00 O ATOM 1956 CB PHE B 568 60.786 19.001 13.133 1.00 0.00 C ATOM 1957 CG PHE B 568 60.948 18.307 14.473 1.00 0.00 C ATOM 1958 CD1 PHE B 568 62.120 18.490 15.218 1.00 0.00 C ATOM 1959 CD2 PHE B 568 59.927 17.483 14.967 1.00 0.00 C ATOM 1960 CE1 PHE B 568 62.271 17.850 16.454 1.00 0.00 C ATOM 1961 CE2 PHE B 568 60.079 16.844 16.204 1.00 0.00 C ATOM 1962 CZ PHE B 568 61.251 17.027 16.947 1.00 0.00 C ATOM 0 H PHE B 568 58.786 21.115 12.155 1.00 0.00 H new ATOM 0 HA PHE B 568 60.710 20.814 14.351 1.00 0.00 H new ATOM 0 HB2 PHE B 568 59.982 18.529 12.568 1.00 0.00 H new ATOM 0 HB3 PHE B 568 61.698 18.888 12.546 1.00 0.00 H new ATOM 0 HD1 PHE B 568 62.907 19.125 14.839 1.00 0.00 H new ATOM 0 HD2 PHE B 568 59.023 17.341 14.393 1.00 0.00 H new ATOM 0 HE1 PHE B 568 63.175 17.991 17.028 1.00 0.00 H new ATOM 0 HE2 PHE B 568 59.292 16.210 16.585 1.00 0.00 H new ATOM 0 HZ PHE B 568 61.369 16.533 17.900 1.00 0.00 H new ATOM 1972 N HIS B 569 62.310 22.004 12.873 1.00 0.00 N ATOM 1973 CA HIS B 569 63.196 22.770 11.966 1.00 0.00 C ATOM 1974 C HIS B 569 63.691 21.761 10.913 1.00 0.00 C ATOM 1975 O HIS B 569 64.366 20.815 11.269 1.00 0.00 O ATOM 1976 CB HIS B 569 64.402 23.297 12.754 1.00 0.00 C ATOM 1977 CG HIS B 569 64.098 24.626 13.386 1.00 0.00 C ATOM 1978 ND1 HIS B 569 64.146 24.802 14.757 1.00 0.00 N ATOM 1979 CD2 HIS B 569 63.786 25.853 12.857 1.00 0.00 C ATOM 1980 CE1 HIS B 569 63.878 26.094 15.008 1.00 0.00 C ATOM 1981 NE2 HIS B 569 63.648 26.781 13.884 1.00 0.00 N ATOM 0 H HIS B 569 62.544 22.055 13.864 1.00 0.00 H new ATOM 0 HA HIS B 569 62.676 23.615 11.515 1.00 0.00 H new ATOM 0 HB2 HIS B 569 64.678 22.579 13.526 1.00 0.00 H new ATOM 0 HB3 HIS B 569 65.260 23.395 12.089 1.00 0.00 H new ATOM 0 HD1 HIS B 569 64.348 24.082 15.451 1.00 0.00 H new ATOM 0 HD2 HIS B 569 63.666 26.066 11.805 1.00 0.00 H new ATOM 0 HE1 HIS B 569 63.851 26.526 15.998 1.00 0.00 H new ATOM 1988 N PRO B 570 63.355 21.902 9.652 1.00 0.00 N ATOM 1989 CA PRO B 570 63.807 20.911 8.642 1.00 0.00 C ATOM 1990 C PRO B 570 65.293 20.554 8.796 1.00 0.00 C ATOM 1991 O PRO B 570 65.787 19.643 8.163 1.00 0.00 O ATOM 1992 CB PRO B 570 63.509 21.647 7.331 1.00 0.00 C ATOM 1993 CG PRO B 570 62.420 22.683 7.641 1.00 0.00 C ATOM 1994 CD PRO B 570 62.522 23.022 9.133 1.00 0.00 C ATOM 0 HA PRO B 570 63.311 19.943 8.721 1.00 0.00 H new ATOM 0 HB2 PRO B 570 64.406 22.133 6.948 1.00 0.00 H new ATOM 0 HB3 PRO B 570 63.172 20.950 6.564 1.00 0.00 H new ATOM 0 HG2 PRO B 570 62.557 23.578 7.034 1.00 0.00 H new ATOM 0 HG3 PRO B 570 61.433 22.285 7.404 1.00 0.00 H new ATOM 0 HD2 PRO B 570 62.993 23.991 9.299 1.00 0.00 H new ATOM 0 HD3 PRO B 570 61.543 23.057 9.611 1.00 0.00 H new ATOM 2002 N GLU B 571 66.005 21.258 9.647 1.00 0.00 N ATOM 2003 CA GLU B 571 67.452 20.960 9.860 1.00 0.00 C ATOM 2004 C GLU B 571 67.639 20.220 11.193 1.00 0.00 C ATOM 2005 O GLU B 571 68.233 19.169 11.268 1.00 0.00 O ATOM 2006 CB GLU B 571 68.221 22.286 9.917 1.00 0.00 C ATOM 2007 CG GLU B 571 67.586 23.272 8.942 1.00 0.00 C ATOM 2008 CD GLU B 571 68.516 24.470 8.740 1.00 0.00 C ATOM 2009 OE1 GLU B 571 68.758 24.820 7.596 1.00 0.00 O ATOM 2010 OE2 GLU B 571 68.969 25.018 9.731 1.00 0.00 O ATOM 0 H GLU B 571 65.640 22.030 10.205 1.00 0.00 H new ATOM 0 HA GLU B 571 67.822 20.338 9.045 1.00 0.00 H new ATOM 0 HB2 GLU B 571 68.199 22.690 10.929 1.00 0.00 H new ATOM 0 HB3 GLU B 571 69.268 22.125 9.661 1.00 0.00 H new ATOM 0 HG2 GLU B 571 67.396 22.782 7.987 1.00 0.00 H new ATOM 0 HG3 GLU B 571 66.623 23.608 9.326 1.00 0.00 H new ATOM 2017 N HIS B 572 67.134 20.764 12.252 1.00 0.00 N ATOM 2018 CA HIS B 572 67.302 20.084 13.571 1.00 0.00 C ATOM 2019 C HIS B 572 66.783 18.651 13.482 1.00 0.00 C ATOM 2020 O HIS B 572 66.935 17.872 14.403 1.00 0.00 O ATOM 2021 CB HIS B 572 66.563 20.869 14.664 1.00 0.00 C ATOM 2022 CG HIS B 572 66.995 22.310 14.568 1.00 0.00 C ATOM 2023 ND1 HIS B 572 66.273 23.391 15.092 1.00 0.00 N ATOM 2024 CD2 HIS B 572 68.109 22.864 13.983 1.00 0.00 C ATOM 2025 CE1 HIS B 572 66.970 24.508 14.802 1.00 0.00 C ATOM 2026 NE2 HIS B 572 68.089 24.243 14.132 1.00 0.00 N ATOM 0 H HIS B 572 66.615 21.642 12.272 1.00 0.00 H new ATOM 0 HA HIS B 572 68.360 20.052 13.831 1.00 0.00 H new ATOM 0 HB2 HIS B 572 65.484 20.784 14.532 1.00 0.00 H new ATOM 0 HB3 HIS B 572 66.797 20.465 15.649 1.00 0.00 H new ATOM 0 HD2 HIS B 572 68.886 22.307 13.481 1.00 0.00 H new ATOM 0 HE1 HIS B 572 66.656 25.503 15.081 1.00 0.00 H new ATOM 0 HE2 HIS B 572 68.784 24.911 13.799 1.00 0.00 H new ATOM 2033 N PHE B 573 66.196 18.290 12.367 1.00 0.00 N ATOM 2034 CA PHE B 573 65.689 16.897 12.184 1.00 0.00 C ATOM 2035 C PHE B 573 66.309 16.333 10.903 1.00 0.00 C ATOM 2036 O PHE B 573 65.621 15.875 10.015 1.00 0.00 O ATOM 2037 CB PHE B 573 64.161 16.924 12.059 1.00 0.00 C ATOM 2038 CG PHE B 573 63.587 15.567 12.408 1.00 0.00 C ATOM 2039 CD1 PHE B 573 63.316 14.638 11.396 1.00 0.00 C ATOM 2040 CD2 PHE B 573 63.328 15.242 13.744 1.00 0.00 C ATOM 2041 CE1 PHE B 573 62.786 13.383 11.722 1.00 0.00 C ATOM 2042 CE2 PHE B 573 62.798 13.988 14.070 1.00 0.00 C ATOM 2043 CZ PHE B 573 62.527 13.058 13.058 1.00 0.00 C ATOM 0 H PHE B 573 66.046 18.908 11.569 1.00 0.00 H new ATOM 0 HA PHE B 573 65.959 16.274 13.036 1.00 0.00 H new ATOM 0 HB2 PHE B 573 63.747 17.684 12.722 1.00 0.00 H new ATOM 0 HB3 PHE B 573 63.876 17.198 11.043 1.00 0.00 H new ATOM 0 HD1 PHE B 573 63.515 14.889 10.365 1.00 0.00 H new ATOM 0 HD2 PHE B 573 63.537 15.959 14.524 1.00 0.00 H new ATOM 0 HE1 PHE B 573 62.577 12.666 10.942 1.00 0.00 H new ATOM 0 HE2 PHE B 573 62.598 13.738 15.101 1.00 0.00 H new ATOM 0 HZ PHE B 573 62.118 12.090 13.309 1.00 0.00 H new ATOM 2053 N VAL B 574 67.610 16.384 10.804 1.00 0.00 N ATOM 2054 CA VAL B 574 68.302 15.872 9.585 1.00 0.00 C ATOM 2055 C VAL B 574 68.721 14.405 9.796 1.00 0.00 C ATOM 2056 O VAL B 574 68.548 13.843 10.859 1.00 0.00 O ATOM 2057 CB VAL B 574 69.577 16.682 9.316 1.00 0.00 C ATOM 2058 CG1 VAL B 574 69.246 18.109 8.810 1.00 0.00 C ATOM 2059 CG2 VAL B 574 70.404 16.742 10.606 1.00 0.00 C ATOM 0 H VAL B 574 68.229 16.762 11.522 1.00 0.00 H new ATOM 0 HA VAL B 574 67.613 15.960 8.745 1.00 0.00 H new ATOM 0 HB VAL B 574 70.152 16.191 8.531 1.00 0.00 H new ATOM 0 HG11 VAL B 574 70.172 18.655 8.630 1.00 0.00 H new ATOM 0 HG12 VAL B 574 68.677 18.043 7.883 1.00 0.00 H new ATOM 0 HG13 VAL B 574 68.656 18.634 9.561 1.00 0.00 H new ATOM 0 HG21 VAL B 574 71.314 17.315 10.429 1.00 0.00 H new ATOM 0 HG22 VAL B 574 69.820 17.222 11.391 1.00 0.00 H new ATOM 0 HG23 VAL B 574 70.667 15.731 10.917 1.00 0.00 H new ATOM 2069 N CYS B 575 69.285 13.794 8.783 1.00 0.00 N ATOM 2070 CA CYS B 575 69.742 12.367 8.897 1.00 0.00 C ATOM 2071 C CYS B 575 71.065 12.353 9.629 1.00 0.00 C ATOM 2072 O CYS B 575 71.889 13.218 9.409 1.00 0.00 O ATOM 2073 CB CYS B 575 69.910 11.767 7.478 1.00 0.00 C ATOM 2074 SG CYS B 575 71.514 10.924 7.283 1.00 0.00 S ATOM 0 H CYS B 575 69.451 14.224 7.873 1.00 0.00 H new ATOM 0 HA CYS B 575 69.011 11.771 9.443 1.00 0.00 H new ATOM 0 HB2 CYS B 575 69.103 11.061 7.284 1.00 0.00 H new ATOM 0 HB3 CYS B 575 69.824 12.561 6.736 1.00 0.00 H new ATOM 0 HG CYS B 575 72.180 11.477 6.313 1.00 0.00 H new ATOM 2079 N ALA B 576 71.316 11.384 10.485 1.00 0.00 N ATOM 2080 CA ALA B 576 72.647 11.416 11.158 1.00 0.00 C ATOM 2081 C ALA B 576 73.645 10.543 10.379 1.00 0.00 C ATOM 2082 O ALA B 576 74.108 9.523 10.838 1.00 0.00 O ATOM 2083 CB ALA B 576 72.482 10.850 12.579 1.00 0.00 C ATOM 0 H ALA B 576 70.693 10.616 10.733 1.00 0.00 H new ATOM 0 HA ALA B 576 73.022 12.439 11.194 1.00 0.00 H new ATOM 0 HB1 ALA B 576 73.445 10.864 13.090 1.00 0.00 H new ATOM 0 HB2 ALA B 576 71.768 11.460 13.133 1.00 0.00 H new ATOM 0 HB3 ALA B 576 72.116 9.825 12.522 1.00 0.00 H new ATOM 2089 N PHE B 577 74.077 11.062 9.268 1.00 0.00 N ATOM 2090 CA PHE B 577 75.162 10.463 8.435 1.00 0.00 C ATOM 2091 C PHE B 577 75.745 11.691 7.762 1.00 0.00 C ATOM 2092 O PHE B 577 76.894 12.063 7.901 1.00 0.00 O ATOM 2093 CB PHE B 577 74.637 9.455 7.385 1.00 0.00 C ATOM 2094 CG PHE B 577 75.785 8.795 6.579 1.00 0.00 C ATOM 2095 CD1 PHE B 577 75.469 7.851 5.575 1.00 0.00 C ATOM 2096 CD2 PHE B 577 77.152 9.109 6.804 1.00 0.00 C ATOM 2097 CE1 PHE B 577 76.480 7.246 4.823 1.00 0.00 C ATOM 2098 CE2 PHE B 577 78.150 8.489 6.041 1.00 0.00 C ATOM 2099 CZ PHE B 577 77.814 7.565 5.056 1.00 0.00 C ATOM 0 H PHE B 577 73.701 11.927 8.880 1.00 0.00 H new ATOM 0 HA PHE B 577 75.872 9.881 9.023 1.00 0.00 H new ATOM 0 HB2 PHE B 577 74.056 8.681 7.886 1.00 0.00 H new ATOM 0 HB3 PHE B 577 73.962 9.967 6.699 1.00 0.00 H new ATOM 0 HD1 PHE B 577 74.437 7.595 5.387 1.00 0.00 H new ATOM 0 HD2 PHE B 577 77.422 9.827 7.564 1.00 0.00 H new ATOM 0 HE1 PHE B 577 76.225 6.528 4.058 1.00 0.00 H new ATOM 0 HE2 PHE B 577 79.188 8.730 6.218 1.00 0.00 H new ATOM 0 HZ PHE B 577 78.591 7.095 4.471 1.00 0.00 H new ATOM 2109 N CYS B 578 74.842 12.347 7.073 1.00 0.00 N ATOM 2110 CA CYS B 578 75.105 13.623 6.371 1.00 0.00 C ATOM 2111 C CYS B 578 74.097 14.609 6.965 1.00 0.00 C ATOM 2112 O CYS B 578 73.046 14.860 6.423 1.00 0.00 O ATOM 2113 CB CYS B 578 74.859 13.451 4.870 1.00 0.00 C ATOM 2114 SG CYS B 578 73.149 12.910 4.583 1.00 0.00 S ATOM 0 H CYS B 578 73.881 12.020 6.970 1.00 0.00 H new ATOM 0 HA CYS B 578 76.133 13.963 6.493 1.00 0.00 H new ATOM 0 HB2 CYS B 578 75.044 14.392 4.352 1.00 0.00 H new ATOM 0 HB3 CYS B 578 75.555 12.719 4.460 1.00 0.00 H new ATOM 0 HG CYS B 578 72.335 13.670 5.254 1.00 0.00 H new ATOM 2119 N LEU B 579 74.399 15.090 8.125 1.00 0.00 N ATOM 2120 CA LEU B 579 73.487 16.002 8.870 1.00 0.00 C ATOM 2121 C LEU B 579 73.011 17.209 8.045 1.00 0.00 C ATOM 2122 O LEU B 579 72.544 18.172 8.622 1.00 0.00 O ATOM 2123 CB LEU B 579 74.236 16.511 10.112 1.00 0.00 C ATOM 2124 CG LEU B 579 74.817 15.312 10.921 1.00 0.00 C ATOM 2125 CD1 LEU B 579 76.320 15.142 10.629 1.00 0.00 C ATOM 2126 CD2 LEU B 579 74.623 15.550 12.429 1.00 0.00 C ATOM 0 H LEU B 579 75.272 14.885 8.612 1.00 0.00 H new ATOM 0 HA LEU B 579 72.594 15.433 9.128 1.00 0.00 H new ATOM 0 HB2 LEU B 579 75.042 17.180 9.810 1.00 0.00 H new ATOM 0 HB3 LEU B 579 73.560 17.090 10.741 1.00 0.00 H new ATOM 0 HG LEU B 579 74.287 14.408 10.620 1.00 0.00 H new ATOM 0 HD11 LEU B 579 76.709 14.300 11.202 1.00 0.00 H new ATOM 0 HD12 LEU B 579 76.465 14.954 9.565 1.00 0.00 H new ATOM 0 HD13 LEU B 579 76.851 16.051 10.913 1.00 0.00 H new ATOM 0 HD21 LEU B 579 75.032 14.707 12.986 1.00 0.00 H new ATOM 0 HD22 LEU B 579 75.140 16.464 12.723 1.00 0.00 H new ATOM 0 HD23 LEU B 579 73.560 15.648 12.648 1.00 0.00 H new ATOM 2138 N LYS B 580 73.125 17.232 6.729 1.00 0.00 N ATOM 2139 CA LYS B 580 72.663 18.474 6.020 1.00 0.00 C ATOM 2140 C LYS B 580 71.146 18.461 5.744 1.00 0.00 C ATOM 2141 O LYS B 580 70.507 19.487 5.869 1.00 0.00 O ATOM 2142 CB LYS B 580 73.463 18.636 4.692 1.00 0.00 C ATOM 2143 CG LYS B 580 72.777 17.972 3.473 1.00 0.00 C ATOM 2144 CD LYS B 580 72.819 16.448 3.614 1.00 0.00 C ATOM 2145 CE LYS B 580 71.756 15.816 2.716 1.00 0.00 C ATOM 2146 NZ LYS B 580 71.783 16.471 1.377 1.00 0.00 N ATOM 0 H LYS B 580 73.498 16.485 6.143 1.00 0.00 H new ATOM 0 HA LYS B 580 72.853 19.326 6.672 1.00 0.00 H new ATOM 0 HB2 LYS B 580 73.601 19.698 4.487 1.00 0.00 H new ATOM 0 HB3 LYS B 580 74.456 18.204 4.820 1.00 0.00 H new ATOM 0 HG2 LYS B 580 71.743 18.310 3.398 1.00 0.00 H new ATOM 0 HG3 LYS B 580 73.279 18.274 2.554 1.00 0.00 H new ATOM 0 HD2 LYS B 580 73.807 16.075 3.342 1.00 0.00 H new ATOM 0 HD3 LYS B 580 72.646 16.165 4.652 1.00 0.00 H new ATOM 0 HE2 LYS B 580 71.940 14.747 2.613 1.00 0.00 H new ATOM 0 HE3 LYS B 580 70.770 15.928 3.167 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 71.343 15.843 0.674 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 71.257 17.367 1.418 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 72.768 16.660 1.103 1.00 0.00 H new ATOM 2160 N GLN B 581 70.526 17.348 5.409 1.00 0.00 N ATOM 2161 CA GLN B 581 69.039 17.413 5.196 1.00 0.00 C ATOM 2162 C GLN B 581 68.335 16.052 5.258 1.00 0.00 C ATOM 2163 O GLN B 581 68.821 15.054 4.764 1.00 0.00 O ATOM 2164 CB GLN B 581 68.728 18.103 3.872 1.00 0.00 C ATOM 2165 CG GLN B 581 67.236 18.457 3.801 1.00 0.00 C ATOM 2166 CD GLN B 581 66.934 19.646 4.712 1.00 0.00 C ATOM 2167 OE1 GLN B 581 66.787 20.759 4.246 1.00 0.00 O ATOM 2168 NE2 GLN B 581 66.833 19.461 5.997 1.00 0.00 N ATOM 0 H GLN B 581 70.962 16.435 5.278 1.00 0.00 H new ATOM 0 HA GLN B 581 68.643 17.994 6.029 1.00 0.00 H new ATOM 0 HB2 GLN B 581 69.329 19.007 3.774 1.00 0.00 H new ATOM 0 HB3 GLN B 581 68.995 17.450 3.041 1.00 0.00 H new ATOM 0 HG2 GLN B 581 66.960 18.696 2.774 1.00 0.00 H new ATOM 0 HG3 GLN B 581 66.636 17.598 4.101 1.00 0.00 H new ATOM 0 HE21 GLN B 581 66.956 18.527 6.389 1.00 0.00 H new ATOM 0 HE22 GLN B 581 66.631 20.250 6.611 1.00 0.00 H new ATOM 2177 N LEU B 582 67.146 16.043 5.808 1.00 0.00 N ATOM 2178 CA LEU B 582 66.314 14.799 5.860 1.00 0.00 C ATOM 2179 C LEU B 582 64.854 15.166 5.553 1.00 0.00 C ATOM 2180 O LEU B 582 64.499 16.325 5.486 1.00 0.00 O ATOM 2181 CB LEU B 582 66.413 14.212 7.255 1.00 0.00 C ATOM 2182 CG LEU B 582 65.872 12.778 7.327 1.00 0.00 C ATOM 2183 CD1 LEU B 582 66.636 11.855 6.351 1.00 0.00 C ATOM 2184 CD2 LEU B 582 66.034 12.282 8.774 1.00 0.00 C ATOM 0 H LEU B 582 66.708 16.861 6.231 1.00 0.00 H new ATOM 0 HA LEU B 582 66.665 14.071 5.129 1.00 0.00 H new ATOM 0 HB2 LEU B 582 67.454 14.221 7.577 1.00 0.00 H new ATOM 0 HB3 LEU B 582 65.859 14.842 7.951 1.00 0.00 H new ATOM 0 HG LEU B 582 64.821 12.762 7.038 1.00 0.00 H new ATOM 0 HD11 LEU B 582 66.236 10.843 6.419 1.00 0.00 H new ATOM 0 HD12 LEU B 582 66.518 12.225 5.332 1.00 0.00 H new ATOM 0 HD13 LEU B 582 67.694 11.845 6.613 1.00 0.00 H new ATOM 0 HD21 LEU B 582 65.656 11.263 8.854 1.00 0.00 H new ATOM 0 HD22 LEU B 582 67.089 12.301 9.049 1.00 0.00 H new ATOM 0 HD23 LEU B 582 65.472 12.931 9.446 1.00 0.00 H new ATOM 2196 N ASN B 583 64.008 14.185 5.369 1.00 0.00 N ATOM 2197 CA ASN B 583 62.568 14.468 5.066 1.00 0.00 C ATOM 2198 C ASN B 583 61.693 13.376 5.689 1.00 0.00 C ATOM 2199 O ASN B 583 62.008 12.206 5.631 1.00 0.00 O ATOM 2200 CB ASN B 583 62.361 14.482 3.543 1.00 0.00 C ATOM 2201 CG ASN B 583 62.760 15.839 2.970 1.00 0.00 C ATOM 2202 OD1 ASN B 583 63.026 16.772 3.701 1.00 0.00 O ATOM 2203 ND2 ASN B 583 62.809 15.987 1.679 1.00 0.00 N ATOM 0 H ASN B 583 64.251 13.196 5.415 1.00 0.00 H new ATOM 0 HA ASN B 583 62.291 15.437 5.481 1.00 0.00 H new ATOM 0 HB2 ASN B 583 62.956 13.694 3.080 1.00 0.00 H new ATOM 0 HB3 ASN B 583 61.317 14.273 3.308 1.00 0.00 H new ATOM 0 HD21 ASN B 583 63.071 16.888 1.279 1.00 0.00 H new ATOM 0 HD22 ASN B 583 62.585 15.202 1.067 1.00 0.00 H new ATOM 2210 N LYS B 584 60.593 13.760 6.278 1.00 0.00 N ATOM 2211 CA LYS B 584 59.681 12.769 6.910 1.00 0.00 C ATOM 2212 C LYS B 584 59.278 11.704 5.893 1.00 0.00 C ATOM 2213 O LYS B 584 58.878 10.611 6.241 1.00 0.00 O ATOM 2214 CB LYS B 584 58.433 13.506 7.380 1.00 0.00 C ATOM 2215 CG LYS B 584 57.913 14.403 6.236 1.00 0.00 C ATOM 2216 CD LYS B 584 56.423 14.705 6.422 1.00 0.00 C ATOM 2217 CE LYS B 584 56.236 15.778 7.494 1.00 0.00 C ATOM 2218 NZ LYS B 584 56.662 17.099 6.954 1.00 0.00 N ATOM 0 H LYS B 584 60.286 14.730 6.348 1.00 0.00 H new ATOM 0 HA LYS B 584 60.184 12.285 7.747 1.00 0.00 H new ATOM 0 HB2 LYS B 584 57.665 12.792 7.677 1.00 0.00 H new ATOM 0 HB3 LYS B 584 58.662 14.111 8.257 1.00 0.00 H new ATOM 0 HG2 LYS B 584 58.478 15.335 6.212 1.00 0.00 H new ATOM 0 HG3 LYS B 584 58.072 13.908 5.278 1.00 0.00 H new ATOM 0 HD2 LYS B 584 55.992 15.042 5.479 1.00 0.00 H new ATOM 0 HD3 LYS B 584 55.893 13.797 6.709 1.00 0.00 H new ATOM 0 HE2 LYS B 584 55.192 15.819 7.804 1.00 0.00 H new ATOM 0 HE3 LYS B 584 56.822 15.529 8.379 1.00 0.00 H new ATOM 0 HZ1 LYS B 584 56.250 17.859 7.532 1.00 0.00 H new ATOM 0 HZ2 LYS B 584 57.699 17.167 6.981 1.00 0.00 H new ATOM 0 HZ3 LYS B 584 56.334 17.195 5.972 1.00 0.00 H new ATOM 2232 N GLY B 585 59.370 12.025 4.637 1.00 0.00 N ATOM 2233 CA GLY B 585 58.985 11.055 3.578 1.00 0.00 C ATOM 2234 C GLY B 585 60.178 10.183 3.247 1.00 0.00 C ATOM 2235 O GLY B 585 60.051 9.134 2.645 1.00 0.00 O ATOM 0 H GLY B 585 59.699 12.928 4.294 1.00 0.00 H new ATOM 0 HA2 GLY B 585 58.152 10.439 3.917 1.00 0.00 H new ATOM 0 HA3 GLY B 585 58.648 11.585 2.687 1.00 0.00 H new ATOM 2239 N THR B 586 61.341 10.618 3.635 1.00 0.00 N ATOM 2240 CA THR B 586 62.580 9.838 3.355 1.00 0.00 C ATOM 2241 C THR B 586 63.398 9.714 4.634 1.00 0.00 C ATOM 2242 O THR B 586 64.594 9.504 4.595 1.00 0.00 O ATOM 2243 CB THR B 586 63.395 10.565 2.284 1.00 0.00 C ATOM 2244 OG1 THR B 586 64.212 11.551 2.901 1.00 0.00 O ATOM 2245 CG2 THR B 586 62.439 11.236 1.297 1.00 0.00 C ATOM 0 H THR B 586 61.490 11.491 4.141 1.00 0.00 H new ATOM 0 HA THR B 586 62.321 8.841 2.999 1.00 0.00 H new ATOM 0 HB THR B 586 64.027 9.853 1.754 1.00 0.00 H new ATOM 0 HG1 THR B 586 64.736 12.017 2.216 1.00 0.00 H new ATOM 0 HG21 THR B 586 63.013 11.756 0.531 1.00 0.00 H new ATOM 0 HG22 THR B 586 61.810 10.479 0.828 1.00 0.00 H new ATOM 0 HG23 THR B 586 61.811 11.951 1.828 1.00 0.00 H new ATOM 2253 N PHE B 587 62.766 9.831 5.775 1.00 0.00 N ATOM 2254 CA PHE B 587 63.530 9.706 7.059 1.00 0.00 C ATOM 2255 C PHE B 587 63.526 8.250 7.509 1.00 0.00 C ATOM 2256 O PHE B 587 62.514 7.690 7.885 1.00 0.00 O ATOM 2257 CB PHE B 587 62.915 10.624 8.142 1.00 0.00 C ATOM 2258 CG PHE B 587 62.386 9.845 9.335 1.00 0.00 C ATOM 2259 CD1 PHE B 587 61.034 9.490 9.397 1.00 0.00 C ATOM 2260 CD2 PHE B 587 63.255 9.478 10.369 1.00 0.00 C ATOM 2261 CE1 PHE B 587 60.550 8.768 10.495 1.00 0.00 C ATOM 2262 CE2 PHE B 587 62.772 8.757 11.467 1.00 0.00 C ATOM 2263 CZ PHE B 587 61.420 8.402 11.530 1.00 0.00 C ATOM 0 H PHE B 587 61.766 10.006 5.876 1.00 0.00 H new ATOM 0 HA PHE B 587 64.561 10.022 6.902 1.00 0.00 H new ATOM 0 HB2 PHE B 587 63.668 11.335 8.482 1.00 0.00 H new ATOM 0 HB3 PHE B 587 62.104 11.205 7.703 1.00 0.00 H new ATOM 0 HD1 PHE B 587 60.364 9.773 8.598 1.00 0.00 H new ATOM 0 HD2 PHE B 587 64.299 9.751 10.320 1.00 0.00 H new ATOM 0 HE1 PHE B 587 59.507 8.494 10.544 1.00 0.00 H new ATOM 0 HE2 PHE B 587 63.442 8.475 12.265 1.00 0.00 H new ATOM 0 HZ PHE B 587 61.047 7.845 12.377 1.00 0.00 H new ATOM 2273 N LYS B 588 64.672 7.658 7.486 1.00 0.00 N ATOM 2274 CA LYS B 588 64.833 6.245 7.916 1.00 0.00 C ATOM 2275 C LYS B 588 65.553 6.273 9.267 1.00 0.00 C ATOM 2276 O LYS B 588 66.096 7.285 9.663 1.00 0.00 O ATOM 2277 CB LYS B 588 65.667 5.517 6.834 1.00 0.00 C ATOM 2278 CG LYS B 588 65.070 4.148 6.412 1.00 0.00 C ATOM 2279 CD LYS B 588 63.548 4.158 6.103 1.00 0.00 C ATOM 2280 CE LYS B 588 63.084 5.461 5.434 1.00 0.00 C ATOM 2281 NZ LYS B 588 62.008 5.147 4.452 1.00 0.00 N ATOM 0 H LYS B 588 65.536 8.104 7.178 1.00 0.00 H new ATOM 0 HA LYS B 588 63.885 5.719 8.028 1.00 0.00 H new ATOM 0 HB2 LYS B 588 65.746 6.157 5.955 1.00 0.00 H new ATOM 0 HB3 LYS B 588 66.679 5.364 7.208 1.00 0.00 H new ATOM 0 HG2 LYS B 588 65.602 3.795 5.529 1.00 0.00 H new ATOM 0 HG3 LYS B 588 65.258 3.427 7.207 1.00 0.00 H new ATOM 0 HD2 LYS B 588 63.308 3.316 5.453 1.00 0.00 H new ATOM 0 HD3 LYS B 588 62.993 4.013 7.030 1.00 0.00 H new ATOM 0 HE2 LYS B 588 62.716 6.159 6.185 1.00 0.00 H new ATOM 0 HE3 LYS B 588 63.922 5.945 4.932 1.00 0.00 H new ATOM 0 HZ1 LYS B 588 61.688 6.025 3.995 1.00 0.00 H new ATOM 0 HZ2 LYS B 588 62.376 4.495 3.730 1.00 0.00 H new ATOM 0 HZ3 LYS B 588 61.207 4.702 4.945 1.00 0.00 H new ATOM 2295 N GLU B 589 65.549 5.191 9.989 1.00 0.00 N ATOM 2296 CA GLU B 589 66.219 5.196 11.319 1.00 0.00 C ATOM 2297 C GLU B 589 66.704 3.798 11.676 1.00 0.00 C ATOM 2298 O GLU B 589 66.207 2.792 11.211 1.00 0.00 O ATOM 2299 CB GLU B 589 65.240 5.704 12.392 1.00 0.00 C ATOM 2300 CG GLU B 589 65.703 5.296 13.801 1.00 0.00 C ATOM 2301 CD GLU B 589 64.915 6.092 14.843 1.00 0.00 C ATOM 2302 OE1 GLU B 589 65.186 7.273 14.988 1.00 0.00 O ATOM 2303 OE2 GLU B 589 64.055 5.507 15.480 1.00 0.00 O ATOM 0 H GLU B 589 65.115 4.308 9.720 1.00 0.00 H new ATOM 0 HA GLU B 589 67.082 5.861 11.275 1.00 0.00 H new ATOM 0 HB2 GLU B 589 65.161 6.789 12.332 1.00 0.00 H new ATOM 0 HB3 GLU B 589 64.245 5.301 12.202 1.00 0.00 H new ATOM 0 HG2 GLU B 589 65.550 4.227 13.951 1.00 0.00 H new ATOM 0 HG3 GLU B 589 66.771 5.484 13.914 1.00 0.00 H new ATOM 2310 N GLN B 590 67.666 3.767 12.533 1.00 0.00 N ATOM 2311 CA GLN B 590 68.242 2.501 13.020 1.00 0.00 C ATOM 2312 C GLN B 590 68.967 2.851 14.316 1.00 0.00 C ATOM 2313 O GLN B 590 69.486 3.940 14.463 1.00 0.00 O ATOM 2314 CB GLN B 590 69.225 1.915 11.981 1.00 0.00 C ATOM 2315 CG GLN B 590 69.410 0.381 12.195 1.00 0.00 C ATOM 2316 CD GLN B 590 68.751 -0.441 11.066 1.00 0.00 C ATOM 2317 OE1 GLN B 590 68.280 -1.537 11.300 1.00 0.00 O ATOM 2318 NE2 GLN B 590 68.697 0.040 9.852 1.00 0.00 N ATOM 0 H GLN B 590 68.095 4.602 12.933 1.00 0.00 H new ATOM 0 HA GLN B 590 67.474 1.745 13.183 1.00 0.00 H new ATOM 0 HB2 GLN B 590 68.852 2.104 10.974 1.00 0.00 H new ATOM 0 HB3 GLN B 590 70.189 2.417 12.063 1.00 0.00 H new ATOM 0 HG2 GLN B 590 70.473 0.147 12.242 1.00 0.00 H new ATOM 0 HG3 GLN B 590 68.978 0.093 13.153 1.00 0.00 H new ATOM 0 HE21 GLN B 590 69.090 0.959 9.650 1.00 0.00 H new ATOM 0 HE22 GLN B 590 68.261 -0.504 9.107 1.00 0.00 H new ATOM 2327 N ASN B 591 68.995 1.970 15.266 1.00 0.00 N ATOM 2328 CA ASN B 591 69.670 2.289 16.557 1.00 0.00 C ATOM 2329 C ASN B 591 69.194 3.671 17.058 1.00 0.00 C ATOM 2330 O ASN B 591 69.859 4.304 17.848 1.00 0.00 O ATOM 2331 CB ASN B 591 71.219 2.266 16.399 1.00 0.00 C ATOM 2332 CG ASN B 591 71.618 2.283 14.927 1.00 0.00 C ATOM 2333 OD1 ASN B 591 72.368 3.135 14.493 1.00 0.00 O ATOM 2334 ND2 ASN B 591 71.143 1.368 14.142 1.00 0.00 N ATOM 0 H ASN B 591 68.581 1.040 15.210 1.00 0.00 H new ATOM 0 HA ASN B 591 69.403 1.529 17.291 1.00 0.00 H new ATOM 0 HB2 ASN B 591 71.653 3.127 16.907 1.00 0.00 H new ATOM 0 HB3 ASN B 591 71.624 1.375 16.879 1.00 0.00 H new ATOM 0 HD21 ASN B 591 71.398 1.360 13.154 1.00 0.00 H new ATOM 0 HD22 ASN B 591 70.514 0.655 14.512 1.00 0.00 H new ATOM 2341 N ASP B 592 68.031 4.117 16.617 1.00 0.00 N ATOM 2342 CA ASP B 592 67.464 5.438 17.074 1.00 0.00 C ATOM 2343 C ASP B 592 68.104 6.610 16.327 1.00 0.00 C ATOM 2344 O ASP B 592 67.712 7.747 16.493 1.00 0.00 O ATOM 2345 CB ASP B 592 67.702 5.628 18.577 1.00 0.00 C ATOM 2346 CG ASP B 592 67.548 4.290 19.303 1.00 0.00 C ATOM 2347 OD1 ASP B 592 68.444 3.939 20.054 1.00 0.00 O ATOM 2348 OD2 ASP B 592 66.538 3.639 19.096 1.00 0.00 O ATOM 0 H ASP B 592 67.444 3.614 15.951 1.00 0.00 H new ATOM 0 HA ASP B 592 66.395 5.422 16.861 1.00 0.00 H new ATOM 0 HB2 ASP B 592 68.700 6.031 18.748 1.00 0.00 H new ATOM 0 HB3 ASP B 592 66.993 6.352 18.977 1.00 0.00 H new ATOM 2353 N LYS B 593 69.093 6.354 15.533 1.00 0.00 N ATOM 2354 CA LYS B 593 69.770 7.454 14.803 1.00 0.00 C ATOM 2355 C LYS B 593 69.069 7.704 13.450 1.00 0.00 C ATOM 2356 O LYS B 593 69.085 6.840 12.597 1.00 0.00 O ATOM 2357 CB LYS B 593 71.202 7.008 14.543 1.00 0.00 C ATOM 2358 CG LYS B 593 71.909 6.678 15.870 1.00 0.00 C ATOM 2359 CD LYS B 593 73.416 6.916 15.718 1.00 0.00 C ATOM 2360 CE LYS B 593 74.141 6.522 17.007 1.00 0.00 C ATOM 2361 NZ LYS B 593 73.966 7.597 18.025 1.00 0.00 N ATOM 0 H LYS B 593 69.467 5.422 15.354 1.00 0.00 H new ATOM 0 HA LYS B 593 69.738 8.373 15.388 1.00 0.00 H new ATOM 0 HB2 LYS B 593 71.205 6.132 13.894 1.00 0.00 H new ATOM 0 HB3 LYS B 593 71.746 7.795 14.019 1.00 0.00 H new ATOM 0 HG2 LYS B 593 71.511 7.300 16.671 1.00 0.00 H new ATOM 0 HG3 LYS B 593 71.720 5.641 16.147 1.00 0.00 H new ATOM 0 HD2 LYS B 593 73.802 6.333 14.881 1.00 0.00 H new ATOM 0 HD3 LYS B 593 73.606 7.965 15.490 1.00 0.00 H new ATOM 0 HE2 LYS B 593 73.745 5.580 17.386 1.00 0.00 H new ATOM 0 HE3 LYS B 593 75.201 6.365 16.807 1.00 0.00 H new ATOM 0 HZ1 LYS B 593 74.459 7.329 18.901 1.00 0.00 H new ATOM 0 HZ2 LYS B 593 74.364 8.487 17.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 593 72.953 7.726 18.223 1.00 0.00 H new ATOM 2375 N PRO B 594 68.468 8.863 13.219 1.00 0.00 N ATOM 2376 CA PRO B 594 67.805 9.119 11.906 1.00 0.00 C ATOM 2377 C PRO B 594 68.729 8.828 10.720 1.00 0.00 C ATOM 2378 O PRO B 594 69.932 8.753 10.867 1.00 0.00 O ATOM 2379 CB PRO B 594 67.481 10.615 11.998 1.00 0.00 C ATOM 2380 CG PRO B 594 67.494 11.000 13.478 1.00 0.00 C ATOM 2381 CD PRO B 594 68.387 9.983 14.209 1.00 0.00 C ATOM 0 HA PRO B 594 66.937 8.482 11.735 1.00 0.00 H new ATOM 0 HB2 PRO B 594 68.214 11.201 11.443 1.00 0.00 H new ATOM 0 HB3 PRO B 594 66.507 10.824 11.556 1.00 0.00 H new ATOM 0 HG2 PRO B 594 67.878 12.012 13.608 1.00 0.00 H new ATOM 0 HG3 PRO B 594 66.484 10.988 13.887 1.00 0.00 H new ATOM 0 HD2 PRO B 594 69.370 10.395 14.439 1.00 0.00 H new ATOM 0 HD3 PRO B 594 67.948 9.661 15.153 1.00 0.00 H new ATOM 2389 N TYR B 595 68.176 8.688 9.545 1.00 0.00 N ATOM 2390 CA TYR B 595 69.032 8.421 8.349 1.00 0.00 C ATOM 2391 C TYR B 595 68.207 8.547 7.077 1.00 0.00 C ATOM 2392 O TYR B 595 67.093 8.072 7.008 1.00 0.00 O ATOM 2393 CB TYR B 595 69.541 6.974 8.328 1.00 0.00 C ATOM 2394 CG TYR B 595 70.469 6.647 9.473 1.00 0.00 C ATOM 2395 CD1 TYR B 595 70.076 5.721 10.447 1.00 0.00 C ATOM 2396 CD2 TYR B 595 71.742 7.223 9.534 1.00 0.00 C ATOM 2397 CE1 TYR B 595 70.948 5.376 11.478 1.00 0.00 C ATOM 2398 CE2 TYR B 595 72.614 6.879 10.575 1.00 0.00 C ATOM 2399 CZ TYR B 595 72.218 5.954 11.544 1.00 0.00 C ATOM 2400 OH TYR B 595 73.080 5.612 12.565 1.00 0.00 O ATOM 0 H TYR B 595 67.175 8.746 9.360 1.00 0.00 H new ATOM 0 HA TYR B 595 69.853 9.136 8.401 1.00 0.00 H new ATOM 0 HB2 TYR B 595 68.688 6.296 8.357 1.00 0.00 H new ATOM 0 HB3 TYR B 595 70.060 6.793 7.387 1.00 0.00 H new ATOM 0 HD1 TYR B 595 69.095 5.273 10.399 1.00 0.00 H new ATOM 0 HD2 TYR B 595 72.052 7.931 8.780 1.00 0.00 H new ATOM 0 HE1 TYR B 595 70.641 4.661 12.227 1.00 0.00 H new ATOM 0 HE2 TYR B 595 73.594 7.330 10.628 1.00 0.00 H new ATOM 0 HH TYR B 595 72.724 4.837 13.048 1.00 0.00 H new ATOM 2410 N CYS B 596 68.770 9.079 6.033 1.00 0.00 N ATOM 2411 CA CYS B 596 68.012 9.088 4.763 1.00 0.00 C ATOM 2412 C CYS B 596 67.922 7.624 4.370 1.00 0.00 C ATOM 2413 O CYS B 596 68.755 6.832 4.761 1.00 0.00 O ATOM 2414 CB CYS B 596 68.763 9.871 3.672 1.00 0.00 C ATOM 2415 SG CYS B 596 69.460 11.396 4.360 1.00 0.00 S ATOM 0 H CYS B 596 69.700 9.498 6.004 1.00 0.00 H new ATOM 0 HA CYS B 596 67.038 9.565 4.876 1.00 0.00 H new ATOM 0 HB2 CYS B 596 69.560 9.255 3.255 1.00 0.00 H new ATOM 0 HB3 CYS B 596 68.084 10.110 2.854 1.00 0.00 H new ATOM 0 HG CYS B 596 70.695 11.189 4.710 1.00 0.00 H new ATOM 2420 N GLN B 597 66.956 7.224 3.616 1.00 0.00 N ATOM 2421 CA GLN B 597 66.919 5.792 3.252 1.00 0.00 C ATOM 2422 C GLN B 597 68.235 5.501 2.526 1.00 0.00 C ATOM 2423 O GLN B 597 69.019 4.672 2.934 1.00 0.00 O ATOM 2424 CB GLN B 597 65.670 5.527 2.375 1.00 0.00 C ATOM 2425 CG GLN B 597 65.885 4.390 1.358 1.00 0.00 C ATOM 2426 CD GLN B 597 65.616 3.041 2.022 1.00 0.00 C ATOM 2427 OE1 GLN B 597 65.247 2.087 1.367 1.00 0.00 O ATOM 2428 NE2 GLN B 597 65.788 2.928 3.303 1.00 0.00 N ATOM 0 H GLN B 597 66.206 7.806 3.242 1.00 0.00 H new ATOM 0 HA GLN B 597 66.834 5.132 4.115 1.00 0.00 H new ATOM 0 HB2 GLN B 597 64.826 5.278 3.018 1.00 0.00 H new ATOM 0 HB3 GLN B 597 65.406 6.440 1.842 1.00 0.00 H new ATOM 0 HG2 GLN B 597 65.221 4.524 0.504 1.00 0.00 H new ATOM 0 HG3 GLN B 597 66.905 4.420 0.976 1.00 0.00 H new ATOM 0 HE21 GLN B 597 66.098 3.732 3.849 1.00 0.00 H new ATOM 0 HE22 GLN B 597 65.613 2.035 3.764 1.00 0.00 H new ATOM 2437 N ASN B 598 68.481 6.206 1.465 1.00 0.00 N ATOM 2438 CA ASN B 598 69.738 6.004 0.697 1.00 0.00 C ATOM 2439 C ASN B 598 70.937 5.992 1.648 1.00 0.00 C ATOM 2440 O ASN B 598 71.974 5.433 1.346 1.00 0.00 O ATOM 2441 CB ASN B 598 69.888 7.151 -0.308 1.00 0.00 C ATOM 2442 CG ASN B 598 68.515 7.558 -0.821 1.00 0.00 C ATOM 2443 OD1 ASN B 598 68.156 8.718 -0.797 1.00 0.00 O ATOM 2444 ND2 ASN B 598 67.731 6.638 -1.286 1.00 0.00 N ATOM 0 H ASN B 598 67.859 6.923 1.091 1.00 0.00 H new ATOM 0 HA ASN B 598 69.699 5.050 0.172 1.00 0.00 H new ATOM 0 HB2 ASN B 598 70.378 8.002 0.165 1.00 0.00 H new ATOM 0 HB3 ASN B 598 70.521 6.840 -1.139 1.00 0.00 H new ATOM 0 HD21 ASN B 598 66.805 6.886 -1.635 1.00 0.00 H new ATOM 0 HD22 ASN B 598 68.039 5.666 -1.303 1.00 0.00 H new ATOM 2451 N CYS B 599 70.813 6.618 2.784 1.00 0.00 N ATOM 2452 CA CYS B 599 71.954 6.657 3.733 1.00 0.00 C ATOM 2453 C CYS B 599 72.083 5.322 4.468 1.00 0.00 C ATOM 2454 O CYS B 599 73.063 4.638 4.308 1.00 0.00 O ATOM 2455 CB CYS B 599 71.755 7.807 4.741 1.00 0.00 C ATOM 2456 SG CYS B 599 72.590 9.294 4.132 1.00 0.00 S ATOM 0 H CYS B 599 69.971 7.103 3.094 1.00 0.00 H new ATOM 0 HA CYS B 599 72.873 6.830 3.174 1.00 0.00 H new ATOM 0 HB2 CYS B 599 70.692 8.004 4.879 1.00 0.00 H new ATOM 0 HB3 CYS B 599 72.156 7.525 5.715 1.00 0.00 H new ATOM 0 HG CYS B 599 73.849 9.246 4.451 1.00 0.00 H new ATOM 2461 N PHE B 600 71.131 4.950 5.286 1.00 0.00 N ATOM 2462 CA PHE B 600 71.282 3.663 6.032 1.00 0.00 C ATOM 2463 C PHE B 600 71.144 2.458 5.095 1.00 0.00 C ATOM 2464 O PHE B 600 71.874 1.495 5.225 1.00 0.00 O ATOM 2465 CB PHE B 600 70.252 3.559 7.174 1.00 0.00 C ATOM 2466 CG PHE B 600 70.884 2.842 8.350 1.00 0.00 C ATOM 2467 CD1 PHE B 600 71.740 3.536 9.211 1.00 0.00 C ATOM 2468 CD2 PHE B 600 70.628 1.488 8.566 1.00 0.00 C ATOM 2469 CE1 PHE B 600 72.337 2.877 10.289 1.00 0.00 C ATOM 2470 CE2 PHE B 600 71.227 0.826 9.647 1.00 0.00 C ATOM 2471 CZ PHE B 600 72.082 1.521 10.507 1.00 0.00 C ATOM 0 H PHE B 600 70.272 5.469 5.468 1.00 0.00 H new ATOM 0 HA PHE B 600 72.283 3.655 6.462 1.00 0.00 H new ATOM 0 HB2 PHE B 600 69.922 4.554 7.474 1.00 0.00 H new ATOM 0 HB3 PHE B 600 69.368 3.018 6.835 1.00 0.00 H new ATOM 0 HD1 PHE B 600 71.940 4.584 9.042 1.00 0.00 H new ATOM 0 HD2 PHE B 600 69.969 0.950 7.901 1.00 0.00 H new ATOM 0 HE1 PHE B 600 72.996 3.416 10.954 1.00 0.00 H new ATOM 0 HE2 PHE B 600 71.028 -0.222 9.815 1.00 0.00 H new ATOM 0 HZ PHE B 600 72.545 1.010 11.339 1.00 0.00 H new ATOM 2481 N LEU B 601 70.230 2.478 4.156 1.00 0.00 N ATOM 2482 CA LEU B 601 70.109 1.300 3.251 1.00 0.00 C ATOM 2483 C LEU B 601 71.499 1.018 2.685 1.00 0.00 C ATOM 2484 O LEU B 601 71.944 -0.108 2.626 1.00 0.00 O ATOM 2485 CB LEU B 601 69.050 1.587 2.142 1.00 0.00 C ATOM 2486 CG LEU B 601 69.656 1.627 0.719 1.00 0.00 C ATOM 2487 CD1 LEU B 601 70.189 0.231 0.304 1.00 0.00 C ATOM 2488 CD2 LEU B 601 68.570 2.082 -0.266 1.00 0.00 C ATOM 0 H LEU B 601 69.577 3.242 3.981 1.00 0.00 H new ATOM 0 HA LEU B 601 69.759 0.415 3.782 1.00 0.00 H new ATOM 0 HB2 LEU B 601 68.277 0.820 2.179 1.00 0.00 H new ATOM 0 HB3 LEU B 601 68.564 2.540 2.350 1.00 0.00 H new ATOM 0 HG LEU B 601 70.493 2.325 0.707 1.00 0.00 H new ATOM 0 HD11 LEU B 601 70.610 0.286 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU B 601 70.962 -0.086 1.004 1.00 0.00 H new ATOM 0 HD13 LEU B 601 69.371 -0.489 0.316 1.00 0.00 H new ATOM 0 HD21 LEU B 601 68.984 2.115 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU B 601 67.737 1.380 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU B 601 68.218 3.075 0.014 1.00 0.00 H new ATOM 2500 N LYS B 602 72.196 2.045 2.302 1.00 0.00 N ATOM 2501 CA LYS B 602 73.565 1.849 1.772 1.00 0.00 C ATOM 2502 C LYS B 602 74.377 1.071 2.807 1.00 0.00 C ATOM 2503 O LYS B 602 75.343 0.414 2.485 1.00 0.00 O ATOM 2504 CB LYS B 602 74.201 3.220 1.520 1.00 0.00 C ATOM 2505 CG LYS B 602 75.657 3.063 1.095 1.00 0.00 C ATOM 2506 CD LYS B 602 75.743 2.217 -0.181 1.00 0.00 C ATOM 2507 CE LYS B 602 77.047 2.528 -0.915 1.00 0.00 C ATOM 2508 NZ LYS B 602 77.018 3.934 -1.412 1.00 0.00 N ATOM 0 H LYS B 602 71.875 3.013 2.334 1.00 0.00 H new ATOM 0 HA LYS B 602 73.541 1.292 0.836 1.00 0.00 H new ATOM 0 HB2 LYS B 602 73.645 3.749 0.746 1.00 0.00 H new ATOM 0 HB3 LYS B 602 74.143 3.826 2.424 1.00 0.00 H new ATOM 0 HG2 LYS B 602 76.102 4.043 0.922 1.00 0.00 H new ATOM 0 HG3 LYS B 602 76.229 2.590 1.894 1.00 0.00 H new ATOM 0 HD2 LYS B 602 75.699 1.157 0.070 1.00 0.00 H new ATOM 0 HD3 LYS B 602 74.891 2.428 -0.827 1.00 0.00 H new ATOM 0 HE2 LYS B 602 77.896 2.386 -0.246 1.00 0.00 H new ATOM 0 HE3 LYS B 602 77.180 1.839 -1.749 1.00 0.00 H new ATOM 0 HZ1 LYS B 602 77.586 4.007 -2.280 1.00 0.00 H new ATOM 0 HZ2 LYS B 602 76.036 4.210 -1.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 602 77.412 4.567 -0.687 1.00 0.00 H new ATOM 2522 N LEU B 603 73.999 1.163 4.056 1.00 0.00 N ATOM 2523 CA LEU B 603 74.757 0.452 5.135 1.00 0.00 C ATOM 2524 C LEU B 603 74.128 -0.912 5.466 1.00 0.00 C ATOM 2525 O LEU B 603 74.785 -1.932 5.385 1.00 0.00 O ATOM 2526 CB LEU B 603 74.763 1.331 6.386 1.00 0.00 C ATOM 2527 CG LEU B 603 74.981 2.788 5.978 1.00 0.00 C ATOM 2528 CD1 LEU B 603 75.027 3.671 7.222 1.00 0.00 C ATOM 2529 CD2 LEU B 603 76.294 2.918 5.209 1.00 0.00 C ATOM 0 H LEU B 603 73.195 1.702 4.378 1.00 0.00 H new ATOM 0 HA LEU B 603 75.773 0.270 4.786 1.00 0.00 H new ATOM 0 HB2 LEU B 603 73.819 1.228 6.921 1.00 0.00 H new ATOM 0 HB3 LEU B 603 75.552 1.010 7.066 1.00 0.00 H new ATOM 0 HG LEU B 603 74.157 3.107 5.340 1.00 0.00 H new ATOM 0 HD11 LEU B 603 75.183 4.709 6.926 1.00 0.00 H new ATOM 0 HD12 LEU B 603 74.085 3.585 7.764 1.00 0.00 H new ATOM 0 HD13 LEU B 603 75.846 3.350 7.866 1.00 0.00 H new ATOM 0 HD21 LEU B 603 76.445 3.958 4.920 1.00 0.00 H new ATOM 0 HD22 LEU B 603 77.120 2.593 5.842 1.00 0.00 H new ATOM 0 HD23 LEU B 603 76.255 2.295 4.315 1.00 0.00 H new ATOM 2541 N PHE B 604 72.871 -0.945 5.856 1.00 0.00 N ATOM 2542 CA PHE B 604 72.217 -2.253 6.212 1.00 0.00 C ATOM 2543 C PHE B 604 71.342 -2.745 5.048 1.00 0.00 C ATOM 2544 O PHE B 604 70.328 -3.381 5.255 1.00 0.00 O ATOM 2545 CB PHE B 604 71.361 -2.090 7.495 1.00 0.00 C ATOM 2546 CG PHE B 604 72.240 -2.268 8.726 1.00 0.00 C ATOM 2547 CD1 PHE B 604 73.231 -1.321 9.035 1.00 0.00 C ATOM 2548 CD2 PHE B 604 72.066 -3.388 9.554 1.00 0.00 C ATOM 2549 CE1 PHE B 604 74.038 -1.497 10.166 1.00 0.00 C ATOM 2550 CE2 PHE B 604 72.875 -3.558 10.684 1.00 0.00 C ATOM 2551 CZ PHE B 604 73.860 -2.614 10.990 1.00 0.00 C ATOM 0 H PHE B 604 72.270 -0.125 5.943 1.00 0.00 H new ATOM 0 HA PHE B 604 72.994 -2.993 6.401 1.00 0.00 H new ATOM 0 HB2 PHE B 604 70.894 -1.105 7.509 1.00 0.00 H new ATOM 0 HB3 PHE B 604 70.556 -2.825 7.502 1.00 0.00 H new ATOM 0 HD1 PHE B 604 73.370 -0.458 8.401 1.00 0.00 H new ATOM 0 HD2 PHE B 604 71.307 -4.120 9.319 1.00 0.00 H new ATOM 0 HE1 PHE B 604 74.800 -0.769 10.403 1.00 0.00 H new ATOM 0 HE2 PHE B 604 72.738 -4.420 11.320 1.00 0.00 H new ATOM 0 HZ PHE B 604 74.483 -2.747 11.862 1.00 0.00 H new ATOM 2561 N CYS B 605 71.727 -2.462 3.825 1.00 0.00 N ATOM 2562 CA CYS B 605 70.916 -2.927 2.652 1.00 0.00 C ATOM 2563 C CYS B 605 70.478 -4.381 2.870 1.00 0.00 C ATOM 2564 O CYS B 605 69.325 -4.587 3.211 1.00 0.00 O ATOM 2565 CB CYS B 605 71.762 -2.841 1.372 1.00 0.00 C ATOM 2566 SG CYS B 605 70.970 -3.787 0.045 1.00 0.00 S ATOM 2567 OXT CYS B 605 71.304 -5.261 2.692 1.00 0.00 O ATOM 0 H CYS B 605 72.565 -1.931 3.588 1.00 0.00 H new ATOM 0 HA CYS B 605 70.036 -2.292 2.552 1.00 0.00 H new ATOM 0 HB2 CYS B 605 71.876 -1.800 1.070 1.00 0.00 H new ATOM 0 HB3 CYS B 605 72.763 -3.230 1.560 1.00 0.00 H new ATOM 0 HG CYS B 605 71.691 -3.708 -1.034 1.00 0.00 H new