USER MOD reduce.3.24.130724 H: found=0, std=0, add=1131, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1119 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 MET CE :methyl -138:sc= -4.85 (180deg=-12.4!) USER MOD Set 1.2: B 602 LYS NZ :NH3+ -143:sc=-0.00216 (180deg=-1.02) USER MOD Set 2.1: B 575 CYS SG : rot -119:sc= -0.923! USER MOD Set 2.2: B 578 CYS SG : rot 44:sc= 0.923 USER MOD Set 2.3: B 596 CYS SG : rot 65:sc= -1.35! USER MOD Set 2.4: B 599 CYS SG : rot 131:sc= -0.992 USER MOD Set 3.1: B 562 THR OG1 : rot 177:sc= 0.336 USER MOD Set 3.2: B 567 LYS NZ :NH3+ 138:sc= 0.352 (180deg=0) USER MOD Set 3.3: B 584 LYS NZ :NH3+ -140:sc= -0.612 (180deg=-3.16!) USER MOD Set 4.1: B 549 CYS SG : rot 16:sc= -0.987 USER MOD Set 4.2: B 552 CYS SG : rot 177:sc= 0.258 USER MOD Set 4.3: B 569 HIS : no HE2:sc= -4.91! C(o=-11!,f=-24!) USER MOD Set 4.4: B 572 HIS : no HD1:sc= -5.06! C(o=-11!,f=-18!) USER MOD Single : A 17 THR OG1 : rot 41:sc= 0.0939 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -5.82! C(o=-5.8!,f=-5.8!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.564 USER MOD Single : A 28 ASN : amide:sc= -2.43! K(o=-2.4!,f=-1.4) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -159:sc= -1.88 USER MOD Single : A 40 HIS : no HD1:sc= -2.84! K(o=-2.8!,f=0.49) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -104:sc= -3.82! (180deg=-6.51!) USER MOD Single : A 55 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.00547) USER MOD Single : A 56 LYS NZ :NH3+ -153:sc= -0.922 (180deg=-1.5) USER MOD Single : A 59 SER OG : rot 180:sc= -0.266 USER MOD Single : A 61 HIS : no HD1:sc= -3.84! C(o=-3.8!,f=-5.6!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 74 LYS NZ :NH3+ 177:sc= -2.52 (180deg=-2.62) USER MOD Single : A 75 THR OG1 : rot -160:sc= 0.405 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -2.54! K(o=-2.5!,f=-1.6) USER MOD Single : A 89 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.182) USER MOD Single : A 91 GLN : amide:sc= -9.09! C(o=-9.1!,f=-11!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : B 547 SER OG : rot 180:sc= 0 USER MOD Single : B 550 SER OG : rot 180:sc= 0 USER MOD Single : B 553 GLN : amide:sc= -3.34! K(o=-3.3!,f=-1.2) USER MOD Single : B 554 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 557 THR OG1 : rot 62:sc= 0.894 USER MOD Single : B 560 CYS SG : rot 29:sc= 0.447 USER MOD Single : B 564 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 566 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 580 LYS NZ :NH3+ 158:sc=-0.00999 (180deg=-0.578) USER MOD Single : B 581 GLN : amide:sc= -3.57! K(o=-3.6!,f=-1.8) USER MOD Single : B 583 ASN : amide:sc= -2.15! C(o=-2.2!,f=-4.3!) USER MOD Single : B 586 THR OG1 : rot 62:sc= 0.562! USER MOD Single : B 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 590 GLN : amide:sc= -0.241 K(o=-0.24,f=-2.4!) USER MOD Single : B 591 ASN : amide:sc= -12! C(o=-12!,f=-6.2!) USER MOD Single : B 593 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.104) USER MOD Single : B 595 TYR OH : rot 165:sc= -0.453 USER MOD Single : B 597 GLN : amide:sc= -4.52! K(o=-4.5!,f=-0.18) USER MOD Single : B 598 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.48) USER MOD Single : B 605 CYS SG : rot -58:sc=-0.000316 USER MOD ----------------------------------------------------------------- ATOM 213 N GLY A 16 87.407 -13.580 13.369 1.00 0.00 N ATOM 214 CA GLY A 16 88.132 -13.058 12.181 1.00 0.00 C ATOM 215 C GLY A 16 88.079 -11.537 12.223 1.00 0.00 C ATOM 216 O GLY A 16 87.852 -10.881 11.228 1.00 0.00 O ATOM 0 HA2 GLY A 16 89.166 -13.403 12.185 1.00 0.00 H new ATOM 0 HA3 GLY A 16 87.676 -13.429 11.263 1.00 0.00 H new ATOM 220 N THR A 17 88.272 -10.973 13.379 1.00 0.00 N ATOM 221 CA THR A 17 88.221 -9.496 13.503 1.00 0.00 C ATOM 222 C THR A 17 89.541 -8.894 13.022 1.00 0.00 C ATOM 223 O THR A 17 90.613 -9.292 13.433 1.00 0.00 O ATOM 224 CB THR A 17 87.989 -9.115 14.967 1.00 0.00 C ATOM 225 OG1 THR A 17 88.842 -9.891 15.797 1.00 0.00 O ATOM 226 CG2 THR A 17 86.530 -9.377 15.346 1.00 0.00 C ATOM 0 H THR A 17 88.464 -11.475 14.246 1.00 0.00 H new ATOM 0 HA THR A 17 87.405 -9.110 12.892 1.00 0.00 H new ATOM 0 HB THR A 17 88.210 -8.056 15.104 1.00 0.00 H new ATOM 0 HG1 THR A 17 89.725 -9.967 15.379 1.00 0.00 H new ATOM 0 HG21 THR A 17 86.370 -9.104 16.389 1.00 0.00 H new ATOM 0 HG22 THR A 17 85.876 -8.780 14.711 1.00 0.00 H new ATOM 0 HG23 THR A 17 86.303 -10.434 15.209 1.00 0.00 H new ATOM 234 N TRP A 18 89.454 -7.929 12.159 1.00 0.00 N ATOM 235 CA TRP A 18 90.666 -7.259 11.627 1.00 0.00 C ATOM 236 C TRP A 18 90.289 -5.829 11.219 1.00 0.00 C ATOM 237 O TRP A 18 89.248 -5.597 10.638 1.00 0.00 O ATOM 238 CB TRP A 18 91.210 -8.037 10.410 1.00 0.00 C ATOM 239 CG TRP A 18 90.149 -8.886 9.773 1.00 0.00 C ATOM 240 CD1 TRP A 18 88.975 -8.438 9.271 1.00 0.00 C ATOM 241 CD2 TRP A 18 90.169 -10.326 9.536 1.00 0.00 C ATOM 242 NE1 TRP A 18 88.273 -9.512 8.746 1.00 0.00 N ATOM 243 CE2 TRP A 18 88.967 -10.695 8.888 1.00 0.00 C ATOM 244 CE3 TRP A 18 91.104 -11.337 9.823 1.00 0.00 C ATOM 245 CZ2 TRP A 18 88.702 -12.019 8.536 1.00 0.00 C ATOM 246 CZ3 TRP A 18 90.840 -12.671 9.469 1.00 0.00 C ATOM 247 CH2 TRP A 18 89.641 -13.011 8.827 1.00 0.00 C ATOM 0 H TRP A 18 88.574 -7.568 11.791 1.00 0.00 H new ATOM 0 HA TRP A 18 91.444 -7.233 12.390 1.00 0.00 H new ATOM 0 HB2 TRP A 18 91.603 -7.334 9.675 1.00 0.00 H new ATOM 0 HB3 TRP A 18 92.041 -8.668 10.724 1.00 0.00 H new ATOM 0 HD1 TRP A 18 88.640 -7.411 9.278 1.00 0.00 H new ATOM 0 HE1 TRP A 18 87.355 -9.436 8.308 1.00 0.00 H new ATOM 0 HE3 TRP A 18 92.030 -11.086 10.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 87.777 -12.275 8.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 91.565 -13.439 9.693 1.00 0.00 H new ATOM 0 HH2 TRP A 18 89.444 -14.038 8.558 1.00 0.00 H new ATOM 258 N GLU A 19 91.121 -4.864 11.525 1.00 0.00 N ATOM 259 CA GLU A 19 90.792 -3.450 11.156 1.00 0.00 C ATOM 260 C GLU A 19 91.347 -3.127 9.778 1.00 0.00 C ATOM 261 O GLU A 19 92.494 -3.380 9.470 1.00 0.00 O ATOM 262 CB GLU A 19 91.357 -2.458 12.208 1.00 0.00 C ATOM 263 CG GLU A 19 92.386 -3.159 13.086 1.00 0.00 C ATOM 264 CD GLU A 19 93.507 -3.727 12.214 1.00 0.00 C ATOM 265 OE1 GLU A 19 94.202 -2.941 11.591 1.00 0.00 O ATOM 266 OE2 GLU A 19 93.651 -4.938 12.183 1.00 0.00 O ATOM 0 H GLU A 19 92.009 -4.992 12.011 1.00 0.00 H new ATOM 0 HA GLU A 19 89.707 -3.344 11.136 1.00 0.00 H new ATOM 0 HB2 GLU A 19 91.815 -1.605 11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 19 90.547 -2.068 12.824 1.00 0.00 H new ATOM 0 HG2 GLU A 19 92.797 -2.457 13.812 1.00 0.00 H new ATOM 0 HG3 GLU A 19 91.910 -3.960 13.651 1.00 0.00 H new ATOM 273 N LEU A 20 90.526 -2.542 8.955 1.00 0.00 N ATOM 274 CA LEU A 20 90.970 -2.161 7.595 1.00 0.00 C ATOM 275 C LEU A 20 91.656 -0.801 7.709 1.00 0.00 C ATOM 276 O LEU A 20 91.158 0.098 8.354 1.00 0.00 O ATOM 277 CB LEU A 20 89.728 -2.070 6.667 1.00 0.00 C ATOM 278 CG LEU A 20 89.883 -2.942 5.405 1.00 0.00 C ATOM 279 CD1 LEU A 20 91.243 -2.705 4.720 1.00 0.00 C ATOM 280 CD2 LEU A 20 89.722 -4.423 5.780 1.00 0.00 C ATOM 0 H LEU A 20 89.557 -2.311 9.172 1.00 0.00 H new ATOM 0 HA LEU A 20 91.659 -2.894 7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 20 88.841 -2.384 7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 20 89.571 -1.032 6.373 1.00 0.00 H new ATOM 0 HG LEU A 20 89.105 -2.661 4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 20 91.319 -3.335 3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 20 91.326 -1.658 4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 20 92.047 -2.954 5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 20 89.832 -5.038 4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 20 90.485 -4.699 6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 20 88.734 -4.584 6.212 1.00 0.00 H new ATOM 292 N SER A 21 92.787 -0.641 7.098 1.00 0.00 N ATOM 293 CA SER A 21 93.486 0.666 7.191 1.00 0.00 C ATOM 294 C SER A 21 92.816 1.645 6.242 1.00 0.00 C ATOM 295 O SER A 21 92.348 1.272 5.184 1.00 0.00 O ATOM 296 CB SER A 21 94.953 0.494 6.800 1.00 0.00 C ATOM 297 OG SER A 21 95.734 1.477 7.467 1.00 0.00 O ATOM 0 H SER A 21 93.259 -1.353 6.540 1.00 0.00 H new ATOM 0 HA SER A 21 93.434 1.043 8.212 1.00 0.00 H new ATOM 0 HB2 SER A 21 95.298 -0.505 7.068 1.00 0.00 H new ATOM 0 HB3 SER A 21 95.068 0.592 5.721 1.00 0.00 H new ATOM 0 HG SER A 21 96.676 1.369 7.220 1.00 0.00 H new ATOM 303 N VAL A 22 92.765 2.894 6.611 1.00 0.00 N ATOM 304 CA VAL A 22 92.122 3.906 5.724 1.00 0.00 C ATOM 305 C VAL A 22 92.947 5.190 5.705 1.00 0.00 C ATOM 306 O VAL A 22 92.950 5.962 6.642 1.00 0.00 O ATOM 307 CB VAL A 22 90.689 4.184 6.207 1.00 0.00 C ATOM 308 CG1 VAL A 22 90.146 5.471 5.581 1.00 0.00 C ATOM 309 CG2 VAL A 22 89.796 3.026 5.771 1.00 0.00 C ATOM 0 H VAL A 22 93.140 3.259 7.487 1.00 0.00 H new ATOM 0 HA VAL A 22 92.077 3.516 4.707 1.00 0.00 H new ATOM 0 HB VAL A 22 90.698 4.290 7.292 1.00 0.00 H new ATOM 0 HG11 VAL A 22 89.131 5.648 5.936 1.00 0.00 H new ATOM 0 HG12 VAL A 22 90.782 6.310 5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 22 90.138 5.372 4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 22 88.775 3.208 6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 22 89.812 2.943 4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 22 90.162 2.098 6.211 1.00 0.00 H new ATOM 319 N HIS A 23 93.623 5.424 4.619 1.00 0.00 N ATOM 320 CA HIS A 23 94.436 6.657 4.482 1.00 0.00 C ATOM 321 C HIS A 23 93.509 7.791 4.064 1.00 0.00 C ATOM 322 O HIS A 23 93.106 7.878 2.921 1.00 0.00 O ATOM 323 CB HIS A 23 95.487 6.424 3.394 1.00 0.00 C ATOM 324 CG HIS A 23 96.674 5.698 3.970 1.00 0.00 C ATOM 325 ND1 HIS A 23 97.904 5.671 3.332 1.00 0.00 N ATOM 326 CD2 HIS A 23 96.833 4.968 5.122 1.00 0.00 C ATOM 327 CE1 HIS A 23 98.742 4.947 4.097 1.00 0.00 C ATOM 328 NE2 HIS A 23 98.139 4.495 5.200 1.00 0.00 N ATOM 0 H HIS A 23 93.646 4.804 3.810 1.00 0.00 H new ATOM 0 HA HIS A 23 94.930 6.908 5.421 1.00 0.00 H new ATOM 0 HB2 HIS A 23 95.056 5.843 2.579 1.00 0.00 H new ATOM 0 HB3 HIS A 23 95.804 7.378 2.973 1.00 0.00 H new ATOM 0 HD2 HIS A 23 96.061 4.788 5.856 1.00 0.00 H new ATOM 0 HE1 HIS A 23 99.776 4.755 3.849 1.00 0.00 H new ATOM 0 HE2 HIS A 23 98.548 3.925 5.941 1.00 0.00 H new ATOM 336 N VAL A 24 93.162 8.667 4.964 1.00 0.00 N ATOM 337 CA VAL A 24 92.261 9.778 4.566 1.00 0.00 C ATOM 338 C VAL A 24 93.067 10.771 3.733 1.00 0.00 C ATOM 339 O VAL A 24 93.921 11.467 4.240 1.00 0.00 O ATOM 340 CB VAL A 24 91.687 10.463 5.816 1.00 0.00 C ATOM 341 CG1 VAL A 24 90.365 11.154 5.467 1.00 0.00 C ATOM 342 CG2 VAL A 24 91.431 9.411 6.897 1.00 0.00 C ATOM 0 H VAL A 24 93.458 8.662 5.940 1.00 0.00 H new ATOM 0 HA VAL A 24 91.426 9.396 3.978 1.00 0.00 H new ATOM 0 HB VAL A 24 92.400 11.203 6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 24 89.962 11.638 6.356 1.00 0.00 H new ATOM 0 HG12 VAL A 24 90.539 11.902 4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 24 89.653 10.414 5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 24 91.024 9.894 7.785 1.00 0.00 H new ATOM 0 HG22 VAL A 24 90.719 8.674 6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 24 92.368 8.915 7.151 1.00 0.00 H new ATOM 352 N THR A 25 92.817 10.831 2.454 1.00 0.00 N ATOM 353 CA THR A 25 93.589 11.774 1.593 1.00 0.00 C ATOM 354 C THR A 25 92.991 13.175 1.726 1.00 0.00 C ATOM 355 O THR A 25 93.653 14.168 1.499 1.00 0.00 O ATOM 356 CB THR A 25 93.536 11.311 0.123 1.00 0.00 C ATOM 357 OG1 THR A 25 92.542 12.049 -0.574 1.00 0.00 O ATOM 358 CG2 THR A 25 93.209 9.814 0.051 1.00 0.00 C ATOM 0 H THR A 25 92.116 10.272 1.969 1.00 0.00 H new ATOM 0 HA THR A 25 94.631 11.792 1.913 1.00 0.00 H new ATOM 0 HB THR A 25 94.509 11.484 -0.337 1.00 0.00 H new ATOM 0 HG1 THR A 25 92.511 11.755 -1.508 1.00 0.00 H new ATOM 0 HG21 THR A 25 93.174 9.499 -0.992 1.00 0.00 H new ATOM 0 HG22 THR A 25 93.979 9.248 0.576 1.00 0.00 H new ATOM 0 HG23 THR A 25 92.241 9.630 0.518 1.00 0.00 H new ATOM 366 N ASP A 26 91.746 13.264 2.107 1.00 0.00 N ATOM 367 CA ASP A 26 91.113 14.601 2.270 1.00 0.00 C ATOM 368 C ASP A 26 91.565 15.193 3.606 1.00 0.00 C ATOM 369 O ASP A 26 91.309 16.341 3.910 1.00 0.00 O ATOM 370 CB ASP A 26 89.591 14.452 2.262 1.00 0.00 C ATOM 371 CG ASP A 26 88.942 15.837 2.252 1.00 0.00 C ATOM 372 OD1 ASP A 26 88.050 16.057 3.055 1.00 0.00 O ATOM 373 OD2 ASP A 26 89.348 16.655 1.443 1.00 0.00 O ATOM 0 H ASP A 26 91.141 12.469 2.312 1.00 0.00 H new ATOM 0 HA ASP A 26 91.409 15.258 1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 26 89.275 13.885 1.387 1.00 0.00 H new ATOM 0 HB3 ASP A 26 89.265 13.893 3.139 1.00 0.00 H new ATOM 378 N LEU A 27 92.240 14.402 4.402 1.00 0.00 N ATOM 379 CA LEU A 27 92.733 14.878 5.735 1.00 0.00 C ATOM 380 C LEU A 27 94.221 14.527 5.861 1.00 0.00 C ATOM 381 O LEU A 27 94.934 15.105 6.653 1.00 0.00 O ATOM 382 CB LEU A 27 91.926 14.164 6.846 1.00 0.00 C ATOM 383 CG LEU A 27 90.942 15.128 7.529 1.00 0.00 C ATOM 384 CD1 LEU A 27 89.965 14.314 8.379 1.00 0.00 C ATOM 385 CD2 LEU A 27 91.701 16.120 8.429 1.00 0.00 C ATOM 0 H LEU A 27 92.474 13.434 4.183 1.00 0.00 H new ATOM 0 HA LEU A 27 92.605 15.956 5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 27 91.378 13.325 6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 27 92.610 13.753 7.588 1.00 0.00 H new ATOM 0 HG LEU A 27 90.402 15.691 6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 27 89.261 14.987 8.869 1.00 0.00 H new ATOM 0 HD12 LEU A 27 89.419 13.620 7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 27 90.518 13.755 9.134 1.00 0.00 H new ATOM 0 HD21 LEU A 27 90.991 16.796 8.905 1.00 0.00 H new ATOM 0 HD22 LEU A 27 92.249 15.571 9.195 1.00 0.00 H new ATOM 0 HD23 LEU A 27 92.401 16.697 7.825 1.00 0.00 H new ATOM 397 N ASN A 28 94.673 13.573 5.088 1.00 0.00 N ATOM 398 CA ASN A 28 96.104 13.142 5.133 1.00 0.00 C ATOM 399 C ASN A 28 96.351 12.266 6.359 1.00 0.00 C ATOM 400 O ASN A 28 97.481 11.995 6.712 1.00 0.00 O ATOM 401 CB ASN A 28 97.038 14.362 5.183 1.00 0.00 C ATOM 402 CG ASN A 28 98.429 13.950 4.711 1.00 0.00 C ATOM 403 OD1 ASN A 28 99.221 14.774 4.298 1.00 0.00 O ATOM 404 ND2 ASN A 28 98.753 12.693 4.759 1.00 0.00 N ATOM 0 H ASN A 28 94.100 13.065 4.415 1.00 0.00 H new ATOM 0 HA ASN A 28 96.315 12.571 4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 28 96.648 15.159 4.551 1.00 0.00 H new ATOM 0 HB3 ASN A 28 97.087 14.756 6.198 1.00 0.00 H new ATOM 0 HD21 ASN A 28 99.677 12.392 4.449 1.00 0.00 H new ATOM 0 HD22 ASN A 28 98.083 12.007 5.107 1.00 0.00 H new ATOM 411 N ARG A 29 95.312 11.816 7.017 1.00 0.00 N ATOM 412 CA ARG A 29 95.501 10.961 8.213 1.00 0.00 C ATOM 413 C ARG A 29 95.342 9.501 7.833 1.00 0.00 C ATOM 414 O ARG A 29 95.101 9.152 6.694 1.00 0.00 O ATOM 415 CB ARG A 29 94.446 11.286 9.254 1.00 0.00 C ATOM 416 CG ARG A 29 94.572 12.747 9.668 1.00 0.00 C ATOM 417 CD ARG A 29 93.411 13.115 10.594 1.00 0.00 C ATOM 418 NE ARG A 29 93.700 12.632 11.979 1.00 0.00 N ATOM 419 CZ ARG A 29 93.310 11.444 12.370 1.00 0.00 C ATOM 420 NH1 ARG A 29 93.568 11.046 13.587 1.00 0.00 N ATOM 421 NH2 ARG A 29 92.669 10.653 11.552 1.00 0.00 N ATOM 0 H ARG A 29 94.341 12.008 6.771 1.00 0.00 H new ATOM 0 HA ARG A 29 96.498 11.145 8.612 1.00 0.00 H new ATOM 0 HB2 ARG A 29 93.451 11.096 8.851 1.00 0.00 H new ATOM 0 HB3 ARG A 29 94.566 10.639 10.123 1.00 0.00 H new ATOM 0 HG2 ARG A 29 95.523 12.912 10.175 1.00 0.00 H new ATOM 0 HG3 ARG A 29 94.566 13.388 8.786 1.00 0.00 H new ATOM 0 HD2 ARG A 29 93.264 14.195 10.598 1.00 0.00 H new ATOM 0 HD3 ARG A 29 92.486 12.669 10.228 1.00 0.00 H new ATOM 0 HE ARG A 29 94.207 13.235 12.627 1.00 0.00 H new ATOM 0 HH11 ARG A 29 94.071 11.659 14.228 1.00 0.00 H new ATOM 0 HH12 ARG A 29 93.266 10.122 13.896 1.00 0.00 H new ATOM 0 HH21 ARG A 29 92.468 10.958 10.600 1.00 0.00 H new ATOM 0 HH22 ARG A 29 92.369 9.730 11.865 1.00 0.00 H new ATOM 435 N ASP A 30 95.448 8.654 8.806 1.00 0.00 N ATOM 436 CA ASP A 30 95.280 7.195 8.585 1.00 0.00 C ATOM 437 C ASP A 30 94.417 6.649 9.704 1.00 0.00 C ATOM 438 O ASP A 30 94.779 6.699 10.864 1.00 0.00 O ATOM 439 CB ASP A 30 96.634 6.491 8.593 1.00 0.00 C ATOM 440 CG ASP A 30 97.383 6.796 7.295 1.00 0.00 C ATOM 441 OD1 ASP A 30 96.985 7.723 6.609 1.00 0.00 O ATOM 442 OD2 ASP A 30 98.341 6.098 7.008 1.00 0.00 O ATOM 0 H ASP A 30 95.649 8.915 9.771 1.00 0.00 H new ATOM 0 HA ASP A 30 94.812 7.021 7.616 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.222 6.822 9.449 1.00 0.00 H new ATOM 0 HB3 ASP A 30 96.494 5.415 8.699 1.00 0.00 H new ATOM 447 N VAL A 31 93.267 6.144 9.362 1.00 0.00 N ATOM 448 CA VAL A 31 92.337 5.600 10.393 1.00 0.00 C ATOM 449 C VAL A 31 92.150 4.105 10.180 1.00 0.00 C ATOM 450 O VAL A 31 92.363 3.583 9.103 1.00 0.00 O ATOM 451 CB VAL A 31 90.988 6.300 10.267 1.00 0.00 C ATOM 452 CG1 VAL A 31 90.086 5.857 11.418 1.00 0.00 C ATOM 453 CG2 VAL A 31 91.191 7.820 10.324 1.00 0.00 C ATOM 0 H VAL A 31 92.926 6.083 8.403 1.00 0.00 H new ATOM 0 HA VAL A 31 92.754 5.772 11.385 1.00 0.00 H new ATOM 0 HB VAL A 31 90.524 6.037 9.317 1.00 0.00 H new ATOM 0 HG11 VAL A 31 89.119 6.354 11.335 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.944 4.777 11.374 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.550 6.124 12.367 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.226 8.320 10.234 1.00 0.00 H new ATOM 0 HG22 VAL A 31 91.652 8.090 11.274 1.00 0.00 H new ATOM 0 HG23 VAL A 31 91.839 8.132 9.505 1.00 0.00 H new ATOM 463 N THR A 32 91.748 3.418 11.212 1.00 0.00 N ATOM 464 CA THR A 32 91.529 1.945 11.119 1.00 0.00 C ATOM 465 C THR A 32 90.171 1.623 11.757 1.00 0.00 C ATOM 466 O THR A 32 89.866 2.057 12.850 1.00 0.00 O ATOM 467 CB THR A 32 92.664 1.218 11.881 1.00 0.00 C ATOM 468 OG1 THR A 32 93.487 2.188 12.513 1.00 0.00 O ATOM 469 CG2 THR A 32 93.528 0.378 10.928 1.00 0.00 C ATOM 0 H THR A 32 91.559 3.820 12.130 1.00 0.00 H new ATOM 0 HA THR A 32 91.534 1.615 10.080 1.00 0.00 H new ATOM 0 HB THR A 32 92.214 0.551 12.616 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.208 1.738 13.000 1.00 0.00 H new ATOM 0 HG21 THR A 32 94.316 -0.119 11.494 1.00 0.00 H new ATOM 0 HG22 THR A 32 92.906 -0.370 10.437 1.00 0.00 H new ATOM 0 HG23 THR A 32 93.976 1.027 10.176 1.00 0.00 H new ATOM 477 N LEU A 33 89.365 0.867 11.070 1.00 0.00 N ATOM 478 CA LEU A 33 88.017 0.496 11.582 1.00 0.00 C ATOM 479 C LEU A 33 87.975 -1.009 11.803 1.00 0.00 C ATOM 480 O LEU A 33 88.092 -1.771 10.870 1.00 0.00 O ATOM 481 CB LEU A 33 86.984 0.868 10.503 1.00 0.00 C ATOM 482 CG LEU A 33 86.531 2.334 10.629 1.00 0.00 C ATOM 483 CD1 LEU A 33 85.513 2.489 11.763 1.00 0.00 C ATOM 484 CD2 LEU A 33 87.735 3.246 10.893 1.00 0.00 C ATOM 0 H LEU A 33 89.589 0.481 10.153 1.00 0.00 H new ATOM 0 HA LEU A 33 87.802 1.014 12.517 1.00 0.00 H new ATOM 0 HB2 LEU A 33 87.415 0.704 9.515 1.00 0.00 H new ATOM 0 HB3 LEU A 33 86.118 0.211 10.586 1.00 0.00 H new ATOM 0 HG LEU A 33 86.062 2.624 9.689 1.00 0.00 H new ATOM 0 HD11 LEU A 33 85.205 3.532 11.836 1.00 0.00 H new ATOM 0 HD12 LEU A 33 84.642 1.867 11.557 1.00 0.00 H new ATOM 0 HD13 LEU A 33 85.967 2.178 12.704 1.00 0.00 H new ATOM 0 HD21 LEU A 33 87.397 4.279 10.979 1.00 0.00 H new ATOM 0 HD22 LEU A 33 88.223 2.945 11.820 1.00 0.00 H new ATOM 0 HD23 LEU A 33 88.442 3.163 10.067 1.00 0.00 H new ATOM 496 N ARG A 34 87.771 -1.452 13.012 1.00 0.00 N ATOM 497 CA ARG A 34 87.693 -2.897 13.241 1.00 0.00 C ATOM 498 C ARG A 34 86.540 -3.406 12.420 1.00 0.00 C ATOM 499 O ARG A 34 85.509 -2.777 12.297 1.00 0.00 O ATOM 500 CB ARG A 34 87.488 -3.218 14.713 1.00 0.00 C ATOM 501 CG ARG A 34 87.621 -4.743 14.898 1.00 0.00 C ATOM 502 CD ARG A 34 86.334 -5.474 14.477 1.00 0.00 C ATOM 503 NE ARG A 34 85.931 -6.413 15.560 1.00 0.00 N ATOM 504 CZ ARG A 34 85.281 -5.970 16.602 1.00 0.00 C ATOM 505 NH1 ARG A 34 84.931 -6.796 17.550 1.00 0.00 N ATOM 506 NH2 ARG A 34 84.981 -4.704 16.694 1.00 0.00 N ATOM 0 H ARG A 34 87.657 -0.868 13.841 1.00 0.00 H new ATOM 0 HA ARG A 34 88.626 -3.378 12.948 1.00 0.00 H new ATOM 0 HB2 ARG A 34 88.226 -2.696 15.322 1.00 0.00 H new ATOM 0 HB3 ARG A 34 86.506 -2.880 15.042 1.00 0.00 H new ATOM 0 HG2 ARG A 34 88.460 -5.111 14.307 1.00 0.00 H new ATOM 0 HG3 ARG A 34 87.843 -4.966 15.941 1.00 0.00 H new ATOM 0 HD2 ARG A 34 85.538 -4.754 14.288 1.00 0.00 H new ATOM 0 HD3 ARG A 34 86.498 -6.020 13.548 1.00 0.00 H new ATOM 0 HE ARG A 34 86.163 -7.404 15.488 1.00 0.00 H new ATOM 0 HH11 ARG A 34 85.165 -7.786 17.476 1.00 0.00 H new ATOM 0 HH12 ARG A 34 84.423 -6.452 18.365 1.00 0.00 H new ATOM 0 HH21 ARG A 34 85.254 -4.060 15.952 1.00 0.00 H new ATOM 0 HH22 ARG A 34 84.473 -4.358 17.508 1.00 0.00 H new ATOM 520 N VAL A 35 86.731 -4.525 11.829 1.00 0.00 N ATOM 521 CA VAL A 35 85.682 -5.091 10.958 1.00 0.00 C ATOM 522 C VAL A 35 85.915 -6.581 10.776 1.00 0.00 C ATOM 523 O VAL A 35 86.811 -7.166 11.353 1.00 0.00 O ATOM 524 CB VAL A 35 85.766 -4.413 9.587 1.00 0.00 C ATOM 525 CG1 VAL A 35 85.203 -2.986 9.647 1.00 0.00 C ATOM 526 CG2 VAL A 35 87.221 -4.362 9.113 1.00 0.00 C ATOM 0 H VAL A 35 87.579 -5.087 11.908 1.00 0.00 H new ATOM 0 HA VAL A 35 84.704 -4.926 11.410 1.00 0.00 H new ATOM 0 HB VAL A 35 85.172 -4.998 8.885 1.00 0.00 H new ATOM 0 HG11 VAL A 35 85.274 -2.525 8.662 1.00 0.00 H new ATOM 0 HG12 VAL A 35 84.159 -3.020 9.958 1.00 0.00 H new ATOM 0 HG13 VAL A 35 85.776 -2.399 10.364 1.00 0.00 H new ATOM 0 HG21 VAL A 35 87.269 -3.878 8.137 1.00 0.00 H new ATOM 0 HG22 VAL A 35 87.817 -3.796 9.829 1.00 0.00 H new ATOM 0 HG23 VAL A 35 87.614 -5.376 9.035 1.00 0.00 H new ATOM 536 N THR A 36 85.117 -7.191 9.949 1.00 0.00 N ATOM 537 CA THR A 36 85.271 -8.638 9.674 1.00 0.00 C ATOM 538 C THR A 36 85.023 -8.843 8.190 1.00 0.00 C ATOM 539 O THR A 36 84.637 -7.934 7.488 1.00 0.00 O ATOM 540 CB THR A 36 84.250 -9.438 10.481 1.00 0.00 C ATOM 541 OG1 THR A 36 82.972 -8.828 10.368 1.00 0.00 O ATOM 542 CG2 THR A 36 84.671 -9.478 11.945 1.00 0.00 C ATOM 0 H THR A 36 84.354 -6.739 9.446 1.00 0.00 H new ATOM 0 HA THR A 36 86.268 -8.977 9.955 1.00 0.00 H new ATOM 0 HB THR A 36 84.201 -10.456 10.094 1.00 0.00 H new ATOM 0 HG1 THR A 36 82.406 -9.114 11.115 1.00 0.00 H new ATOM 0 HG21 THR A 36 83.941 -10.049 12.518 1.00 0.00 H new ATOM 0 HG22 THR A 36 85.649 -9.951 12.029 1.00 0.00 H new ATOM 0 HG23 THR A 36 84.725 -8.462 12.336 1.00 0.00 H new ATOM 550 N GLY A 37 85.237 -10.013 7.691 1.00 0.00 N ATOM 551 CA GLY A 37 85.002 -10.234 6.245 1.00 0.00 C ATOM 552 C GLY A 37 83.514 -10.456 6.009 1.00 0.00 C ATOM 553 O GLY A 37 83.103 -11.392 5.353 1.00 0.00 O ATOM 0 H GLY A 37 85.563 -10.826 8.214 1.00 0.00 H new ATOM 0 HA2 GLY A 37 85.349 -9.374 5.672 1.00 0.00 H new ATOM 0 HA3 GLY A 37 85.570 -11.098 5.900 1.00 0.00 H new ATOM 557 N GLU A 38 82.705 -9.584 6.542 1.00 0.00 N ATOM 558 CA GLU A 38 81.237 -9.707 6.363 1.00 0.00 C ATOM 559 C GLU A 38 80.595 -8.323 6.474 1.00 0.00 C ATOM 560 O GLU A 38 79.391 -8.187 6.375 1.00 0.00 O ATOM 561 CB GLU A 38 80.661 -10.622 7.443 1.00 0.00 C ATOM 562 CG GLU A 38 81.169 -10.179 8.816 1.00 0.00 C ATOM 563 CD GLU A 38 80.285 -10.780 9.912 1.00 0.00 C ATOM 564 OE1 GLU A 38 80.380 -10.322 11.039 1.00 0.00 O ATOM 565 OE2 GLU A 38 79.529 -11.687 9.606 1.00 0.00 O ATOM 0 H GLU A 38 83.004 -8.784 7.099 1.00 0.00 H new ATOM 0 HA GLU A 38 81.027 -10.131 5.381 1.00 0.00 H new ATOM 0 HB2 GLU A 38 79.572 -10.589 7.419 1.00 0.00 H new ATOM 0 HB3 GLU A 38 80.953 -11.655 7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 38 82.202 -10.499 8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 38 81.160 -9.091 8.884 1.00 0.00 H new ATOM 572 N VAL A 39 81.375 -7.282 6.663 1.00 0.00 N ATOM 573 CA VAL A 39 80.765 -5.927 6.755 1.00 0.00 C ATOM 574 C VAL A 39 80.608 -5.376 5.343 1.00 0.00 C ATOM 575 O VAL A 39 81.359 -5.696 4.451 1.00 0.00 O ATOM 576 CB VAL A 39 81.661 -4.996 7.588 1.00 0.00 C ATOM 577 CG1 VAL A 39 83.133 -5.353 7.359 1.00 0.00 C ATOM 578 CG2 VAL A 39 81.424 -3.524 7.203 1.00 0.00 C ATOM 0 H VAL A 39 82.390 -7.316 6.755 1.00 0.00 H new ATOM 0 HA VAL A 39 79.792 -5.989 7.243 1.00 0.00 H new ATOM 0 HB VAL A 39 81.410 -5.127 8.641 1.00 0.00 H new ATOM 0 HG11 VAL A 39 83.764 -4.691 7.951 1.00 0.00 H new ATOM 0 HG12 VAL A 39 83.308 -6.386 7.660 1.00 0.00 H new ATOM 0 HG13 VAL A 39 83.376 -5.237 6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 39 82.068 -2.882 7.804 1.00 0.00 H new ATOM 0 HG22 VAL A 39 81.655 -3.382 6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 39 80.381 -3.264 7.385 1.00 0.00 H new ATOM 588 N HIS A 40 79.645 -4.540 5.140 1.00 0.00 N ATOM 589 CA HIS A 40 79.440 -3.960 3.780 1.00 0.00 C ATOM 590 C HIS A 40 80.300 -2.696 3.636 1.00 0.00 C ATOM 591 O HIS A 40 80.461 -1.934 4.568 1.00 0.00 O ATOM 592 CB HIS A 40 77.947 -3.626 3.572 1.00 0.00 C ATOM 593 CG HIS A 40 77.100 -4.466 4.491 1.00 0.00 C ATOM 594 ND1 HIS A 40 76.296 -5.494 4.024 1.00 0.00 N ATOM 595 CD2 HIS A 40 76.923 -4.441 5.852 1.00 0.00 C ATOM 596 CE1 HIS A 40 75.678 -6.040 5.086 1.00 0.00 C ATOM 597 NE2 HIS A 40 76.024 -5.436 6.226 1.00 0.00 N ATOM 0 H HIS A 40 78.985 -4.226 5.851 1.00 0.00 H new ATOM 0 HA HIS A 40 79.740 -4.683 3.022 1.00 0.00 H new ATOM 0 HB2 HIS A 40 77.772 -2.568 3.767 1.00 0.00 H new ATOM 0 HB3 HIS A 40 77.666 -3.809 2.535 1.00 0.00 H new ATOM 0 HD2 HIS A 40 77.408 -3.754 6.530 1.00 0.00 H new ATOM 0 HE1 HIS A 40 74.986 -6.867 5.025 1.00 0.00 H new ATOM 0 HE2 HIS A 40 75.699 -5.656 7.168 1.00 0.00 H new ATOM 605 N ILE A 41 80.854 -2.473 2.473 1.00 0.00 N ATOM 606 CA ILE A 41 81.705 -1.260 2.262 1.00 0.00 C ATOM 607 C ILE A 41 80.987 -0.044 2.815 1.00 0.00 C ATOM 608 O ILE A 41 81.486 0.674 3.658 1.00 0.00 O ATOM 609 CB ILE A 41 81.921 -1.020 0.768 1.00 0.00 C ATOM 610 CG1 ILE A 41 82.389 -2.310 0.097 1.00 0.00 C ATOM 611 CG2 ILE A 41 82.972 0.076 0.572 1.00 0.00 C ATOM 612 CD1 ILE A 41 82.533 -2.111 -1.421 1.00 0.00 C ATOM 0 H ILE A 41 80.755 -3.078 1.658 1.00 0.00 H new ATOM 0 HA ILE A 41 82.660 -1.417 2.762 1.00 0.00 H new ATOM 0 HB ILE A 41 80.981 -0.705 0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 41 83.344 -2.620 0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 41 81.676 -3.110 0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 41 83.125 0.247 -0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 41 82.628 0.998 1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 41 83.912 -0.235 1.029 1.00 0.00 H new ATOM 0 HD11 ILE A 41 82.867 -3.042 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 41 81.570 -1.824 -1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 41 83.264 -1.327 -1.617 1.00 0.00 H new ATOM 624 N GLY A 42 79.817 0.194 2.314 1.00 0.00 N ATOM 625 CA GLY A 42 79.041 1.361 2.764 1.00 0.00 C ATOM 626 C GLY A 42 78.929 1.311 4.278 1.00 0.00 C ATOM 627 O GLY A 42 78.578 2.276 4.932 1.00 0.00 O ATOM 0 H GLY A 42 79.363 -0.379 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 42 79.529 2.284 2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 42 78.050 1.355 2.310 1.00 0.00 H new ATOM 631 N GLY A 43 79.243 0.182 4.835 1.00 0.00 N ATOM 632 CA GLY A 43 79.175 0.031 6.309 1.00 0.00 C ATOM 633 C GLY A 43 80.399 0.694 6.940 1.00 0.00 C ATOM 634 O GLY A 43 80.374 1.107 8.076 1.00 0.00 O ATOM 0 H GLY A 43 79.546 -0.650 4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 43 78.262 0.487 6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 43 79.140 -1.025 6.577 1.00 0.00 H new ATOM 638 N VAL A 44 81.469 0.794 6.205 1.00 0.00 N ATOM 639 CA VAL A 44 82.706 1.424 6.749 1.00 0.00 C ATOM 640 C VAL A 44 82.575 2.956 6.698 1.00 0.00 C ATOM 641 O VAL A 44 82.725 3.621 7.704 1.00 0.00 O ATOM 642 CB VAL A 44 83.904 0.945 5.903 1.00 0.00 C ATOM 643 CG1 VAL A 44 85.077 1.930 6.005 1.00 0.00 C ATOM 644 CG2 VAL A 44 84.363 -0.430 6.402 1.00 0.00 C ATOM 0 H VAL A 44 81.542 0.464 5.243 1.00 0.00 H new ATOM 0 HA VAL A 44 82.858 1.135 7.789 1.00 0.00 H new ATOM 0 HB VAL A 44 83.586 0.884 4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 44 85.909 1.569 5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 44 84.763 2.909 5.643 1.00 0.00 H new ATOM 0 HG13 VAL A 44 85.394 2.012 7.045 1.00 0.00 H new ATOM 0 HG21 VAL A 44 85.209 -0.770 5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 44 84.662 -0.356 7.447 1.00 0.00 H new ATOM 0 HG23 VAL A 44 83.544 -1.143 6.309 1.00 0.00 H new ATOM 654 N MET A 45 82.299 3.535 5.553 1.00 0.00 N ATOM 655 CA MET A 45 82.176 5.025 5.516 1.00 0.00 C ATOM 656 C MET A 45 81.186 5.460 6.600 1.00 0.00 C ATOM 657 O MET A 45 81.218 6.580 7.071 1.00 0.00 O ATOM 658 CB MET A 45 81.740 5.553 4.123 1.00 0.00 C ATOM 659 CG MET A 45 80.759 4.601 3.406 1.00 0.00 C ATOM 660 SD MET A 45 79.050 5.098 3.782 1.00 0.00 S ATOM 661 CE MET A 45 78.215 4.483 2.287 1.00 0.00 C ATOM 0 H MET A 45 82.157 3.054 4.665 1.00 0.00 H new ATOM 0 HA MET A 45 83.158 5.457 5.707 1.00 0.00 H new ATOM 0 HB2 MET A 45 81.272 6.530 4.240 1.00 0.00 H new ATOM 0 HB3 MET A 45 82.623 5.695 3.500 1.00 0.00 H new ATOM 0 HG2 MET A 45 80.929 4.629 2.330 1.00 0.00 H new ATOM 0 HG3 MET A 45 80.930 3.574 3.729 1.00 0.00 H new ATOM 0 HE1 MET A 45 77.488 5.221 1.947 1.00 0.00 H new ATOM 0 HE2 MET A 45 78.952 4.312 1.503 1.00 0.00 H new ATOM 0 HE3 MET A 45 77.703 3.548 2.515 1.00 0.00 H new ATOM 671 N LEU A 46 80.332 4.569 7.025 1.00 0.00 N ATOM 672 CA LEU A 46 79.370 4.917 8.109 1.00 0.00 C ATOM 673 C LEU A 46 80.150 5.027 9.425 1.00 0.00 C ATOM 674 O LEU A 46 80.151 6.049 10.073 1.00 0.00 O ATOM 675 CB LEU A 46 78.307 3.808 8.215 1.00 0.00 C ATOM 676 CG LEU A 46 77.044 4.353 8.896 1.00 0.00 C ATOM 677 CD1 LEU A 46 75.968 3.260 8.955 1.00 0.00 C ATOM 678 CD2 LEU A 46 77.384 4.824 10.314 1.00 0.00 C ATOM 0 H LEU A 46 80.259 3.616 6.669 1.00 0.00 H new ATOM 0 HA LEU A 46 78.873 5.863 7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 46 78.061 3.433 7.222 1.00 0.00 H new ATOM 0 HB3 LEU A 46 78.703 2.967 8.784 1.00 0.00 H new ATOM 0 HG LEU A 46 76.663 5.196 8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 46 75.075 3.654 9.440 1.00 0.00 H new ATOM 0 HD12 LEU A 46 75.720 2.939 7.943 1.00 0.00 H new ATOM 0 HD13 LEU A 46 76.344 2.410 9.524 1.00 0.00 H new ATOM 0 HD21 LEU A 46 76.485 5.210 10.794 1.00 0.00 H new ATOM 0 HD22 LEU A 46 77.773 3.986 10.892 1.00 0.00 H new ATOM 0 HD23 LEU A 46 78.136 5.611 10.265 1.00 0.00 H new ATOM 690 N LYS A 47 80.816 3.976 9.816 1.00 0.00 N ATOM 691 CA LYS A 47 81.599 3.998 11.091 1.00 0.00 C ATOM 692 C LYS A 47 82.707 5.059 11.027 1.00 0.00 C ATOM 693 O LYS A 47 82.862 5.873 11.913 1.00 0.00 O ATOM 694 CB LYS A 47 82.270 2.633 11.303 1.00 0.00 C ATOM 695 CG LYS A 47 81.261 1.484 11.135 1.00 0.00 C ATOM 696 CD LYS A 47 82.018 0.158 10.923 1.00 0.00 C ATOM 697 CE LYS A 47 81.049 -0.947 10.484 1.00 0.00 C ATOM 698 NZ LYS A 47 80.274 -1.426 11.664 1.00 0.00 N ATOM 0 H LYS A 47 80.854 3.094 9.305 1.00 0.00 H new ATOM 0 HA LYS A 47 80.913 4.227 11.907 1.00 0.00 H new ATOM 0 HB2 LYS A 47 83.085 2.511 10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 47 82.709 2.592 12.300 1.00 0.00 H new ATOM 0 HG2 LYS A 47 80.624 1.414 12.017 1.00 0.00 H new ATOM 0 HG3 LYS A 47 80.608 1.681 10.285 1.00 0.00 H new ATOM 0 HD2 LYS A 47 82.793 0.291 10.169 1.00 0.00 H new ATOM 0 HD3 LYS A 47 82.518 -0.134 11.846 1.00 0.00 H new ATOM 0 HE2 LYS A 47 80.371 -0.568 9.719 1.00 0.00 H new ATOM 0 HE3 LYS A 47 81.602 -1.774 10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 79.617 -2.175 11.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 80.928 -1.803 12.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 79.736 -0.634 12.070 1.00 0.00 H new ATOM 712 N LEU A 48 83.503 5.025 10.000 1.00 0.00 N ATOM 713 CA LEU A 48 84.631 5.992 9.880 1.00 0.00 C ATOM 714 C LEU A 48 84.164 7.416 10.234 1.00 0.00 C ATOM 715 O LEU A 48 84.740 8.073 11.085 1.00 0.00 O ATOM 716 CB LEU A 48 85.156 5.929 8.438 1.00 0.00 C ATOM 717 CG LEU A 48 86.296 6.930 8.194 1.00 0.00 C ATOM 718 CD1 LEU A 48 87.540 6.554 8.998 1.00 0.00 C ATOM 719 CD2 LEU A 48 86.661 6.881 6.717 1.00 0.00 C ATOM 0 H LEU A 48 83.422 4.363 9.229 1.00 0.00 H new ATOM 0 HA LEU A 48 85.427 5.731 10.577 1.00 0.00 H new ATOM 0 HB2 LEU A 48 85.508 4.920 8.225 1.00 0.00 H new ATOM 0 HB3 LEU A 48 84.339 6.134 7.746 1.00 0.00 H new ATOM 0 HG LEU A 48 85.963 7.922 8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 48 88.330 7.280 8.806 1.00 0.00 H new ATOM 0 HD12 LEU A 48 87.299 6.552 10.061 1.00 0.00 H new ATOM 0 HD13 LEU A 48 87.879 5.561 8.701 1.00 0.00 H new ATOM 0 HD21 LEU A 48 87.470 7.584 6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 48 86.984 5.873 6.455 1.00 0.00 H new ATOM 0 HD23 LEU A 48 85.791 7.150 6.118 1.00 0.00 H new ATOM 731 N VAL A 49 83.135 7.904 9.599 1.00 0.00 N ATOM 732 CA VAL A 49 82.657 9.285 9.913 1.00 0.00 C ATOM 733 C VAL A 49 82.116 9.342 11.346 1.00 0.00 C ATOM 734 O VAL A 49 82.388 10.270 12.081 1.00 0.00 O ATOM 735 CB VAL A 49 81.546 9.677 8.939 1.00 0.00 C ATOM 736 CG1 VAL A 49 80.972 11.040 9.334 1.00 0.00 C ATOM 737 CG2 VAL A 49 82.115 9.761 7.520 1.00 0.00 C ATOM 0 H VAL A 49 82.605 7.412 8.880 1.00 0.00 H new ATOM 0 HA VAL A 49 83.493 9.978 9.817 1.00 0.00 H new ATOM 0 HB VAL A 49 80.757 8.926 8.973 1.00 0.00 H new ATOM 0 HG11 VAL A 49 80.180 11.317 8.638 1.00 0.00 H new ATOM 0 HG12 VAL A 49 80.565 10.985 10.344 1.00 0.00 H new ATOM 0 HG13 VAL A 49 81.762 11.790 9.302 1.00 0.00 H new ATOM 0 HG21 VAL A 49 81.322 10.041 6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 49 82.906 10.511 7.489 1.00 0.00 H new ATOM 0 HG23 VAL A 49 82.523 8.792 7.234 1.00 0.00 H new ATOM 747 N GLU A 50 81.343 8.366 11.747 1.00 0.00 N ATOM 748 CA GLU A 50 80.775 8.373 13.131 1.00 0.00 C ATOM 749 C GLU A 50 81.859 8.749 14.138 1.00 0.00 C ATOM 750 O GLU A 50 81.612 9.445 15.103 1.00 0.00 O ATOM 751 CB GLU A 50 80.239 6.978 13.473 1.00 0.00 C ATOM 752 CG GLU A 50 78.894 6.766 12.786 1.00 0.00 C ATOM 753 CD GLU A 50 77.828 7.622 13.473 1.00 0.00 C ATOM 754 OE1 GLU A 50 77.072 8.270 12.768 1.00 0.00 O ATOM 755 OE2 GLU A 50 77.787 7.616 14.692 1.00 0.00 O ATOM 0 H GLU A 50 81.080 7.563 11.176 1.00 0.00 H new ATOM 0 HA GLU A 50 79.967 9.103 13.177 1.00 0.00 H new ATOM 0 HB2 GLU A 50 80.948 6.215 13.151 1.00 0.00 H new ATOM 0 HB3 GLU A 50 80.128 6.874 14.552 1.00 0.00 H new ATOM 0 HG2 GLU A 50 78.966 7.034 11.732 1.00 0.00 H new ATOM 0 HG3 GLU A 50 78.614 5.714 12.829 1.00 0.00 H new ATOM 762 N LYS A 51 83.051 8.279 13.931 1.00 0.00 N ATOM 763 CA LYS A 51 84.144 8.591 14.885 1.00 0.00 C ATOM 764 C LYS A 51 84.499 10.076 14.822 1.00 0.00 C ATOM 765 O LYS A 51 84.597 10.737 15.837 1.00 0.00 O ATOM 766 CB LYS A 51 85.357 7.752 14.535 1.00 0.00 C ATOM 767 CG LYS A 51 84.968 6.277 14.638 1.00 0.00 C ATOM 768 CD LYS A 51 86.216 5.396 14.593 1.00 0.00 C ATOM 769 CE LYS A 51 87.138 5.825 13.447 1.00 0.00 C ATOM 770 NZ LYS A 51 87.883 7.056 13.837 1.00 0.00 N ATOM 0 H LYS A 51 83.317 7.691 13.141 1.00 0.00 H new ATOM 0 HA LYS A 51 83.816 8.361 15.899 1.00 0.00 H new ATOM 0 HB2 LYS A 51 85.701 7.984 13.527 1.00 0.00 H new ATOM 0 HB3 LYS A 51 86.181 7.975 15.212 1.00 0.00 H new ATOM 0 HG2 LYS A 51 84.424 6.101 15.566 1.00 0.00 H new ATOM 0 HG3 LYS A 51 84.298 6.012 13.820 1.00 0.00 H new ATOM 0 HD2 LYS A 51 86.750 5.463 15.541 1.00 0.00 H new ATOM 0 HD3 LYS A 51 85.927 4.353 14.463 1.00 0.00 H new ATOM 0 HE2 LYS A 51 87.838 5.024 13.211 1.00 0.00 H new ATOM 0 HE3 LYS A 51 86.553 6.012 12.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 87.468 7.880 13.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 87.821 7.188 14.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 88.881 6.960 13.560 1.00 0.00 H new ATOM 784 N LEU A 52 84.692 10.617 13.648 1.00 0.00 N ATOM 785 CA LEU A 52 85.036 12.054 13.560 1.00 0.00 C ATOM 786 C LEU A 52 83.845 12.866 14.072 1.00 0.00 C ATOM 787 O LEU A 52 83.911 13.475 15.119 1.00 0.00 O ATOM 788 CB LEU A 52 85.363 12.394 12.089 1.00 0.00 C ATOM 789 CG LEU A 52 86.666 13.208 12.007 1.00 0.00 C ATOM 790 CD1 LEU A 52 87.872 12.275 12.136 1.00 0.00 C ATOM 791 CD2 LEU A 52 86.741 13.934 10.667 1.00 0.00 C ATOM 0 H LEU A 52 84.626 10.126 12.757 1.00 0.00 H new ATOM 0 HA LEU A 52 85.908 12.294 14.169 1.00 0.00 H new ATOM 0 HB2 LEU A 52 85.462 11.476 11.510 1.00 0.00 H new ATOM 0 HB3 LEU A 52 84.543 12.962 11.649 1.00 0.00 H new ATOM 0 HG LEU A 52 86.677 13.935 12.819 1.00 0.00 H new ATOM 0 HD11 LEU A 52 88.791 12.858 12.077 1.00 0.00 H new ATOM 0 HD12 LEU A 52 87.831 11.758 13.095 1.00 0.00 H new ATOM 0 HD13 LEU A 52 87.854 11.543 11.328 1.00 0.00 H new ATOM 0 HD21 LEU A 52 87.666 14.508 10.616 1.00 0.00 H new ATOM 0 HD22 LEU A 52 86.721 13.205 9.857 1.00 0.00 H new ATOM 0 HD23 LEU A 52 85.890 14.608 10.570 1.00 0.00 H new ATOM 803 N ASP A 53 82.759 12.849 13.345 1.00 0.00 N ATOM 804 CA ASP A 53 81.526 13.574 13.758 1.00 0.00 C ATOM 805 C ASP A 53 81.640 15.047 13.416 1.00 0.00 C ATOM 806 O ASP A 53 82.074 15.862 14.206 1.00 0.00 O ATOM 807 CB ASP A 53 81.316 13.393 15.252 1.00 0.00 C ATOM 808 CG ASP A 53 79.825 13.466 15.601 1.00 0.00 C ATOM 809 OD1 ASP A 53 79.464 13.003 16.670 1.00 0.00 O ATOM 810 OD2 ASP A 53 79.072 13.984 14.793 1.00 0.00 O ATOM 0 H ASP A 53 82.676 12.349 12.460 1.00 0.00 H new ATOM 0 HA ASP A 53 80.670 13.165 13.221 1.00 0.00 H new ATOM 0 HB2 ASP A 53 81.722 12.432 15.568 1.00 0.00 H new ATOM 0 HB3 ASP A 53 81.861 14.164 15.797 1.00 0.00 H new ATOM 815 N VAL A 54 81.248 15.385 12.240 1.00 0.00 N ATOM 816 CA VAL A 54 81.321 16.799 11.822 1.00 0.00 C ATOM 817 C VAL A 54 80.572 16.974 10.505 1.00 0.00 C ATOM 818 O VAL A 54 80.623 16.134 9.629 1.00 0.00 O ATOM 819 CB VAL A 54 82.791 17.181 11.695 1.00 0.00 C ATOM 820 CG1 VAL A 54 83.532 16.090 10.926 1.00 0.00 C ATOM 821 CG2 VAL A 54 82.933 18.528 10.978 1.00 0.00 C ATOM 0 H VAL A 54 80.876 14.742 11.541 1.00 0.00 H new ATOM 0 HA VAL A 54 80.852 17.454 12.556 1.00 0.00 H new ATOM 0 HB VAL A 54 83.224 17.278 12.691 1.00 0.00 H new ATOM 0 HG11 VAL A 54 84.584 16.360 10.834 1.00 0.00 H new ATOM 0 HG12 VAL A 54 83.446 15.145 11.462 1.00 0.00 H new ATOM 0 HG13 VAL A 54 83.096 15.985 9.933 1.00 0.00 H new ATOM 0 HG21 VAL A 54 83.989 18.787 10.895 1.00 0.00 H new ATOM 0 HG22 VAL A 54 82.498 18.457 9.981 1.00 0.00 H new ATOM 0 HG23 VAL A 54 82.414 19.299 11.547 1.00 0.00 H new ATOM 831 N LYS A 55 79.856 18.054 10.375 1.00 0.00 N ATOM 832 CA LYS A 55 79.074 18.289 9.134 1.00 0.00 C ATOM 833 C LYS A 55 80.004 18.516 7.951 1.00 0.00 C ATOM 834 O LYS A 55 79.701 19.287 7.062 1.00 0.00 O ATOM 835 CB LYS A 55 78.170 19.514 9.314 1.00 0.00 C ATOM 836 CG LYS A 55 77.023 19.194 10.296 1.00 0.00 C ATOM 837 CD LYS A 55 75.813 20.079 9.987 1.00 0.00 C ATOM 838 CE LYS A 55 74.697 19.791 10.993 1.00 0.00 C ATOM 839 NZ LYS A 55 74.986 20.502 12.271 1.00 0.00 N ATOM 0 H LYS A 55 79.779 18.787 11.080 1.00 0.00 H new ATOM 0 HA LYS A 55 78.463 17.408 8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 55 78.755 20.354 9.689 1.00 0.00 H new ATOM 0 HB3 LYS A 55 77.759 19.816 8.351 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.746 18.143 10.216 1.00 0.00 H new ATOM 0 HG3 LYS A 55 77.353 19.359 11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 55 76.097 21.130 10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 55 75.460 19.890 8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 55 73.738 20.117 10.592 1.00 0.00 H new ATOM 0 HE3 LYS A 55 74.620 18.718 11.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 74.723 19.895 13.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 76.001 20.724 12.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 74.436 21.384 12.309 1.00 0.00 H new ATOM 853 N LYS A 56 81.125 17.848 7.903 1.00 0.00 N ATOM 854 CA LYS A 56 82.022 18.054 6.733 1.00 0.00 C ATOM 855 C LYS A 56 81.481 17.255 5.550 1.00 0.00 C ATOM 856 O LYS A 56 80.928 16.183 5.705 1.00 0.00 O ATOM 857 CB LYS A 56 83.453 17.613 7.056 1.00 0.00 C ATOM 858 CG LYS A 56 84.392 18.022 5.912 1.00 0.00 C ATOM 859 CD LYS A 56 85.740 17.310 6.059 1.00 0.00 C ATOM 860 CE LYS A 56 86.340 17.610 7.434 1.00 0.00 C ATOM 861 NZ LYS A 56 86.175 19.058 7.745 1.00 0.00 N ATOM 0 H LYS A 56 81.452 17.184 8.605 1.00 0.00 H new ATOM 0 HA LYS A 56 82.047 19.115 6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 56 83.782 18.069 7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 56 83.487 16.533 7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 56 83.941 17.769 4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 56 84.539 19.102 5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 56 85.609 16.235 5.937 1.00 0.00 H new ATOM 0 HD3 LYS A 56 86.422 17.639 5.275 1.00 0.00 H new ATOM 0 HE2 LYS A 56 85.849 17.005 8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 56 87.397 17.343 7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 86.928 19.361 8.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 86.234 19.611 6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 85.248 19.214 8.191 1.00 0.00 H new ATOM 875 N ASP A 57 81.627 17.782 4.372 1.00 0.00 N ATOM 876 CA ASP A 57 81.117 17.082 3.161 1.00 0.00 C ATOM 877 C ASP A 57 81.692 15.665 3.092 1.00 0.00 C ATOM 878 O ASP A 57 82.788 15.457 2.612 1.00 0.00 O ATOM 879 CB ASP A 57 81.534 17.869 1.915 1.00 0.00 C ATOM 880 CG ASP A 57 81.386 19.367 2.185 1.00 0.00 C ATOM 881 OD1 ASP A 57 80.271 19.798 2.428 1.00 0.00 O ATOM 882 OD2 ASP A 57 82.390 20.059 2.143 1.00 0.00 O ATOM 0 H ASP A 57 82.082 18.677 4.192 1.00 0.00 H new ATOM 0 HA ASP A 57 80.030 17.018 3.211 1.00 0.00 H new ATOM 0 HB2 ASP A 57 82.566 17.636 1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 57 80.916 17.579 1.065 1.00 0.00 H new ATOM 887 N TRP A 58 80.958 14.686 3.567 1.00 0.00 N ATOM 888 CA TRP A 58 81.450 13.276 3.531 1.00 0.00 C ATOM 889 C TRP A 58 80.685 12.494 2.469 1.00 0.00 C ATOM 890 O TRP A 58 81.182 11.547 1.894 1.00 0.00 O ATOM 891 CB TRP A 58 81.189 12.618 4.880 1.00 0.00 C ATOM 892 CG TRP A 58 82.062 13.220 5.933 1.00 0.00 C ATOM 893 CD1 TRP A 58 81.599 13.795 7.066 1.00 0.00 C ATOM 894 CD2 TRP A 58 83.521 13.319 5.989 1.00 0.00 C ATOM 895 NE1 TRP A 58 82.670 14.242 7.811 1.00 0.00 N ATOM 896 CE2 TRP A 58 83.873 13.976 7.192 1.00 0.00 C ATOM 897 CE3 TRP A 58 84.566 12.912 5.131 1.00 0.00 C ATOM 898 CZ2 TRP A 58 85.201 14.224 7.529 1.00 0.00 C ATOM 899 CZ3 TRP A 58 85.905 13.160 5.474 1.00 0.00 C ATOM 900 CH2 TRP A 58 86.221 13.817 6.669 1.00 0.00 C ATOM 0 H TRP A 58 80.033 14.807 3.980 1.00 0.00 H new ATOM 0 HA TRP A 58 82.516 13.277 3.304 1.00 0.00 H new ATOM 0 HB2 TRP A 58 80.141 12.740 5.154 1.00 0.00 H new ATOM 0 HB3 TRP A 58 81.378 11.547 4.811 1.00 0.00 H new ATOM 0 HD1 TRP A 58 80.559 13.889 7.343 1.00 0.00 H new ATOM 0 HE1 TRP A 58 82.583 14.713 8.712 1.00 0.00 H new ATOM 0 HE3 TRP A 58 84.334 12.407 4.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 85.440 14.730 8.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 86.696 12.842 4.811 1.00 0.00 H new ATOM 0 HH2 TRP A 58 87.253 14.008 6.925 1.00 0.00 H new ATOM 911 N SER A 59 79.467 12.873 2.229 1.00 0.00 N ATOM 912 CA SER A 59 78.631 12.156 1.226 1.00 0.00 C ATOM 913 C SER A 59 79.448 11.876 -0.038 1.00 0.00 C ATOM 914 O SER A 59 79.384 10.805 -0.608 1.00 0.00 O ATOM 915 CB SER A 59 77.422 13.028 0.870 1.00 0.00 C ATOM 916 OG SER A 59 77.734 13.828 -0.264 1.00 0.00 O ATOM 0 H SER A 59 79.006 13.658 2.689 1.00 0.00 H new ATOM 0 HA SER A 59 78.296 11.208 1.647 1.00 0.00 H new ATOM 0 HB2 SER A 59 76.556 12.400 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 59 77.156 13.663 1.715 1.00 0.00 H new ATOM 0 HG SER A 59 76.961 14.385 -0.494 1.00 0.00 H new ATOM 922 N ASP A 60 80.208 12.834 -0.480 1.00 0.00 N ATOM 923 CA ASP A 60 81.025 12.637 -1.708 1.00 0.00 C ATOM 924 C ASP A 60 82.230 11.746 -1.387 1.00 0.00 C ATOM 925 O ASP A 60 82.881 11.225 -2.271 1.00 0.00 O ATOM 926 CB ASP A 60 81.508 14.003 -2.202 1.00 0.00 C ATOM 927 CG ASP A 60 82.526 13.821 -3.331 1.00 0.00 C ATOM 928 OD1 ASP A 60 83.344 14.708 -3.512 1.00 0.00 O ATOM 929 OD2 ASP A 60 82.469 12.799 -3.994 1.00 0.00 O ATOM 0 H ASP A 60 80.300 13.751 -0.042 1.00 0.00 H new ATOM 0 HA ASP A 60 80.425 12.156 -2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 60 80.661 14.591 -2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 60 81.960 14.558 -1.380 1.00 0.00 H new ATOM 934 N HIS A 61 82.539 11.577 -0.130 1.00 0.00 N ATOM 935 CA HIS A 61 83.707 10.735 0.251 1.00 0.00 C ATOM 936 C HIS A 61 83.312 9.264 0.327 1.00 0.00 C ATOM 937 O HIS A 61 82.361 8.885 0.981 1.00 0.00 O ATOM 938 CB HIS A 61 84.238 11.206 1.603 1.00 0.00 C ATOM 939 CG HIS A 61 84.696 12.634 1.483 1.00 0.00 C ATOM 940 ND1 HIS A 61 83.944 13.599 0.831 1.00 0.00 N ATOM 941 CD2 HIS A 61 85.830 13.272 1.918 1.00 0.00 C ATOM 942 CE1 HIS A 61 84.630 14.755 0.891 1.00 0.00 C ATOM 943 NE2 HIS A 61 85.787 14.612 1.543 1.00 0.00 N ATOM 0 H HIS A 61 82.030 11.988 0.652 1.00 0.00 H new ATOM 0 HA HIS A 61 84.483 10.836 -0.507 1.00 0.00 H new ATOM 0 HB2 HIS A 61 83.460 11.123 2.362 1.00 0.00 H new ATOM 0 HB3 HIS A 61 85.065 10.572 1.924 1.00 0.00 H new ATOM 0 HD2 HIS A 61 86.634 12.806 2.468 1.00 0.00 H new ATOM 0 HE1 HIS A 61 84.287 15.686 0.464 1.00 0.00 H new ATOM 0 HE2 HIS A 61 86.488 15.330 1.727 1.00 0.00 H new ATOM 951 N ALA A 62 84.062 8.435 -0.348 1.00 0.00 N ATOM 952 CA ALA A 62 83.792 6.971 -0.355 1.00 0.00 C ATOM 953 C ALA A 62 85.136 6.247 -0.266 1.00 0.00 C ATOM 954 O ALA A 62 86.175 6.877 -0.250 1.00 0.00 O ATOM 955 CB ALA A 62 83.085 6.600 -1.658 1.00 0.00 C ATOM 0 H ALA A 62 84.867 8.719 -0.906 1.00 0.00 H new ATOM 0 HA ALA A 62 83.157 6.687 0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 62 82.884 5.529 -1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 62 82.145 7.147 -1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 62 83.721 6.860 -2.504 1.00 0.00 H new ATOM 961 N LEU A 63 85.143 4.940 -0.193 1.00 0.00 N ATOM 962 CA LEU A 63 86.451 4.214 -0.087 1.00 0.00 C ATOM 963 C LEU A 63 86.929 3.773 -1.476 1.00 0.00 C ATOM 964 O LEU A 63 86.147 3.420 -2.337 1.00 0.00 O ATOM 965 CB LEU A 63 86.297 2.964 0.793 1.00 0.00 C ATOM 966 CG LEU A 63 85.898 3.323 2.233 1.00 0.00 C ATOM 967 CD1 LEU A 63 86.986 4.176 2.897 1.00 0.00 C ATOM 968 CD2 LEU A 63 84.552 4.069 2.256 1.00 0.00 C ATOM 0 H LEU A 63 84.312 4.348 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 63 87.178 4.893 0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 63 85.543 2.306 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 63 87.235 2.410 0.804 1.00 0.00 H new ATOM 0 HG LEU A 63 85.789 2.395 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 63 86.686 4.420 3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 63 87.923 3.619 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 63 87.124 5.096 2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 63 84.289 4.313 3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 63 84.635 4.987 1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 63 83.777 3.435 1.824 1.00 0.00 H new ATOM 980 N TRP A 64 88.225 3.790 -1.686 1.00 0.00 N ATOM 981 CA TRP A 64 88.814 3.374 -3.002 1.00 0.00 C ATOM 982 C TRP A 64 89.904 2.328 -2.720 1.00 0.00 C ATOM 983 O TRP A 64 90.491 2.312 -1.657 1.00 0.00 O ATOM 984 CB TRP A 64 89.354 4.656 -3.713 1.00 0.00 C ATOM 985 CG TRP A 64 90.834 4.625 -4.004 1.00 0.00 C ATOM 986 CD1 TRP A 64 91.821 4.394 -3.103 1.00 0.00 C ATOM 987 CD2 TRP A 64 91.501 4.894 -5.272 1.00 0.00 C ATOM 988 NE1 TRP A 64 93.041 4.462 -3.749 1.00 0.00 N ATOM 989 CE2 TRP A 64 92.898 4.776 -5.084 1.00 0.00 C ATOM 990 CE3 TRP A 64 91.031 5.213 -6.559 1.00 0.00 C ATOM 991 CZ2 TRP A 64 93.797 4.972 -6.133 1.00 0.00 C ATOM 992 CZ3 TRP A 64 91.933 5.415 -7.617 1.00 0.00 C ATOM 993 CH2 TRP A 64 93.314 5.295 -7.404 1.00 0.00 C ATOM 0 H TRP A 64 88.911 4.079 -0.989 1.00 0.00 H new ATOM 0 HA TRP A 64 88.084 2.914 -3.669 1.00 0.00 H new ATOM 0 HB2 TRP A 64 88.814 4.793 -4.650 1.00 0.00 H new ATOM 0 HB3 TRP A 64 89.136 5.523 -3.089 1.00 0.00 H new ATOM 0 HD1 TRP A 64 91.677 4.190 -2.052 1.00 0.00 H new ATOM 0 HE1 TRP A 64 93.939 4.299 -3.293 1.00 0.00 H new ATOM 0 HE3 TRP A 64 89.969 5.303 -6.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 94.859 4.875 -5.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 91.561 5.664 -8.600 1.00 0.00 H new ATOM 0 HH2 TRP A 64 94.003 5.452 -8.221 1.00 0.00 H new ATOM 1004 N TRP A 65 90.154 1.431 -3.646 1.00 0.00 N ATOM 1005 CA TRP A 65 91.194 0.372 -3.417 1.00 0.00 C ATOM 1006 C TRP A 65 92.374 0.623 -4.356 1.00 0.00 C ATOM 1007 O TRP A 65 92.361 0.206 -5.488 1.00 0.00 O ATOM 1008 CB TRP A 65 90.591 -1.008 -3.718 1.00 0.00 C ATOM 1009 CG TRP A 65 91.449 -2.098 -3.137 1.00 0.00 C ATOM 1010 CD1 TRP A 65 92.689 -1.939 -2.606 1.00 0.00 C ATOM 1011 CD2 TRP A 65 91.145 -3.519 -3.028 1.00 0.00 C ATOM 1012 NE1 TRP A 65 93.154 -3.167 -2.176 1.00 0.00 N ATOM 1013 CE2 TRP A 65 92.242 -4.173 -2.417 1.00 0.00 C ATOM 1014 CE3 TRP A 65 90.034 -4.296 -3.397 1.00 0.00 C ATOM 1015 CZ2 TRP A 65 92.235 -5.548 -2.182 1.00 0.00 C ATOM 1016 CZ3 TRP A 65 90.024 -5.680 -3.162 1.00 0.00 C ATOM 1017 CH2 TRP A 65 91.123 -6.305 -2.556 1.00 0.00 C ATOM 0 H TRP A 65 89.684 1.385 -4.550 1.00 0.00 H new ATOM 0 HA TRP A 65 91.531 0.403 -2.381 1.00 0.00 H new ATOM 0 HB2 TRP A 65 89.585 -1.070 -3.303 1.00 0.00 H new ATOM 0 HB3 TRP A 65 90.501 -1.144 -4.796 1.00 0.00 H new ATOM 0 HD1 TRP A 65 93.225 -1.004 -2.532 1.00 0.00 H new ATOM 0 HE1 TRP A 65 94.062 -3.312 -1.734 1.00 0.00 H new ATOM 0 HE3 TRP A 65 89.182 -3.825 -3.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 93.084 -6.024 -1.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 89.164 -6.267 -3.450 1.00 0.00 H new ATOM 0 HH2 TRP A 65 91.109 -7.370 -2.379 1.00 0.00 H new ATOM 1028 N GLU A 66 93.388 1.308 -3.898 1.00 0.00 N ATOM 1029 CA GLU A 66 94.559 1.594 -4.782 1.00 0.00 C ATOM 1030 C GLU A 66 95.145 0.300 -5.339 1.00 0.00 C ATOM 1031 O GLU A 66 95.774 0.301 -6.374 1.00 0.00 O ATOM 1032 CB GLU A 66 95.636 2.327 -3.997 1.00 0.00 C ATOM 1033 CG GLU A 66 95.902 1.585 -2.691 1.00 0.00 C ATOM 1034 CD GLU A 66 96.951 2.340 -1.873 1.00 0.00 C ATOM 1035 OE1 GLU A 66 96.596 2.860 -0.828 1.00 0.00 O ATOM 1036 OE2 GLU A 66 98.091 2.386 -2.305 1.00 0.00 O ATOM 0 H GLU A 66 93.457 1.682 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 66 94.215 2.215 -5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 66 96.551 2.390 -4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 66 95.319 3.349 -3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 66 94.978 1.493 -2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 66 96.249 0.573 -2.901 1.00 0.00 H new ATOM 1043 N LYS A 67 94.944 -0.810 -4.692 1.00 0.00 N ATOM 1044 CA LYS A 67 95.495 -2.066 -5.262 1.00 0.00 C ATOM 1045 C LYS A 67 94.699 -2.340 -6.530 1.00 0.00 C ATOM 1046 O LYS A 67 95.004 -3.218 -7.312 1.00 0.00 O ATOM 1047 CB LYS A 67 95.309 -3.240 -4.297 1.00 0.00 C ATOM 1048 CG LYS A 67 95.834 -2.885 -2.906 1.00 0.00 C ATOM 1049 CD LYS A 67 97.321 -2.529 -2.978 1.00 0.00 C ATOM 1050 CE LYS A 67 97.942 -2.611 -1.575 1.00 0.00 C ATOM 1051 NZ LYS A 67 98.404 -4.005 -1.321 1.00 0.00 N ATOM 0 H LYS A 67 94.434 -0.903 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 67 96.563 -1.960 -5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 67 94.253 -3.503 -4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 67 95.835 -4.116 -4.677 1.00 0.00 H new ATOM 0 HG2 LYS A 67 95.271 -2.045 -2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 67 95.686 -3.725 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 67 97.836 -3.211 -3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 67 97.445 -1.525 -3.383 1.00 0.00 H new ATOM 0 HE2 LYS A 67 98.779 -1.918 -1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 67 97.210 -2.316 -0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 98.825 -4.064 -0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 97.595 -4.655 -1.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 99.115 -4.270 -2.032 1.00 0.00 H new ATOM 1065 N LYS A 68 93.651 -1.579 -6.705 1.00 0.00 N ATOM 1066 CA LYS A 68 92.756 -1.738 -7.880 1.00 0.00 C ATOM 1067 C LYS A 68 92.479 -0.358 -8.486 1.00 0.00 C ATOM 1068 O LYS A 68 91.925 -0.244 -9.561 1.00 0.00 O ATOM 1069 CB LYS A 68 91.418 -2.364 -7.424 1.00 0.00 C ATOM 1070 CG LYS A 68 91.638 -3.374 -6.283 1.00 0.00 C ATOM 1071 CD LYS A 68 92.214 -4.674 -6.851 1.00 0.00 C ATOM 1072 CE LYS A 68 92.783 -5.542 -5.716 1.00 0.00 C ATOM 1073 NZ LYS A 68 92.659 -6.981 -6.084 1.00 0.00 N ATOM 0 H LYS A 68 93.375 -0.836 -6.063 1.00 0.00 H new ATOM 0 HA LYS A 68 93.231 -2.383 -8.619 1.00 0.00 H new ATOM 0 HB2 LYS A 68 90.740 -1.578 -7.092 1.00 0.00 H new ATOM 0 HB3 LYS A 68 90.940 -2.862 -8.267 1.00 0.00 H new ATOM 0 HG2 LYS A 68 92.319 -2.957 -5.541 1.00 0.00 H new ATOM 0 HG3 LYS A 68 90.695 -3.574 -5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 68 91.437 -5.222 -7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 68 92.998 -4.448 -7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 68 93.828 -5.289 -5.539 1.00 0.00 H new ATOM 0 HE3 LYS A 68 92.246 -5.345 -4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 93.043 -7.570 -5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 91.657 -7.216 -6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 93.190 -7.162 -6.959 1.00 0.00 H new ATOM 1087 N ARG A 69 92.827 0.694 -7.786 1.00 0.00 N ATOM 1088 CA ARG A 69 92.545 2.058 -8.307 1.00 0.00 C ATOM 1089 C ARG A 69 91.063 2.109 -8.659 1.00 0.00 C ATOM 1090 O ARG A 69 90.677 2.547 -9.725 1.00 0.00 O ATOM 1091 CB ARG A 69 93.388 2.344 -9.565 1.00 0.00 C ATOM 1092 CG ARG A 69 94.841 2.698 -9.186 1.00 0.00 C ATOM 1093 CD ARG A 69 95.665 1.421 -8.992 1.00 0.00 C ATOM 1094 NE ARG A 69 96.119 0.915 -10.318 1.00 0.00 N ATOM 1095 CZ ARG A 69 96.685 -0.258 -10.409 1.00 0.00 C ATOM 1096 NH1 ARG A 69 97.079 -0.704 -11.571 1.00 0.00 N ATOM 1097 NH2 ARG A 69 96.858 -0.983 -9.338 1.00 0.00 N ATOM 0 H ARG A 69 93.293 0.663 -6.879 1.00 0.00 H new ATOM 0 HA ARG A 69 92.798 2.808 -7.558 1.00 0.00 H new ATOM 0 HB2 ARG A 69 93.381 1.472 -10.218 1.00 0.00 H new ATOM 0 HB3 ARG A 69 92.944 3.166 -10.126 1.00 0.00 H new ATOM 0 HG2 ARG A 69 95.288 3.313 -9.967 1.00 0.00 H new ATOM 0 HG3 ARG A 69 94.852 3.289 -8.270 1.00 0.00 H new ATOM 0 HD2 ARG A 69 96.526 1.624 -8.355 1.00 0.00 H new ATOM 0 HD3 ARG A 69 95.066 0.663 -8.487 1.00 0.00 H new ATOM 0 HE ARG A 69 95.988 1.485 -11.154 1.00 0.00 H new ATOM 0 HH11 ARG A 69 96.945 -0.136 -12.408 1.00 0.00 H new ATOM 0 HH12 ARG A 69 97.521 -1.620 -11.642 1.00 0.00 H new ATOM 0 HH21 ARG A 69 96.551 -0.633 -8.430 1.00 0.00 H new ATOM 0 HH22 ARG A 69 97.300 -1.899 -9.408 1.00 0.00 H new ATOM 1111 N THR A 70 90.234 1.629 -7.766 1.00 0.00 N ATOM 1112 CA THR A 70 88.764 1.598 -8.020 1.00 0.00 C ATOM 1113 C THR A 70 88.054 2.513 -7.039 1.00 0.00 C ATOM 1114 O THR A 70 88.673 3.224 -6.282 1.00 0.00 O ATOM 1115 CB THR A 70 88.274 0.158 -7.814 1.00 0.00 C ATOM 1116 OG1 THR A 70 87.010 -0.009 -8.439 1.00 0.00 O ATOM 1117 CG2 THR A 70 88.156 -0.172 -6.318 1.00 0.00 C ATOM 0 H THR A 70 90.518 1.253 -6.861 1.00 0.00 H new ATOM 0 HA THR A 70 88.552 1.934 -9.035 1.00 0.00 H new ATOM 0 HB THR A 70 89.000 -0.521 -8.261 1.00 0.00 H new ATOM 0 HG1 THR A 70 86.699 -0.929 -8.308 1.00 0.00 H new ATOM 0 HG21 THR A 70 87.807 -1.198 -6.198 1.00 0.00 H new ATOM 0 HG22 THR A 70 89.131 -0.063 -5.843 1.00 0.00 H new ATOM 0 HG23 THR A 70 87.446 0.510 -5.850 1.00 0.00 H new ATOM 1125 N TRP A 71 86.752 2.447 -7.017 1.00 0.00 N ATOM 1126 CA TRP A 71 85.957 3.251 -6.055 1.00 0.00 C ATOM 1127 C TRP A 71 84.996 2.285 -5.373 1.00 0.00 C ATOM 1128 O TRP A 71 83.962 1.922 -5.889 1.00 0.00 O ATOM 1129 CB TRP A 71 85.211 4.380 -6.774 1.00 0.00 C ATOM 1130 CG TRP A 71 84.662 3.939 -8.098 1.00 0.00 C ATOM 1131 CD1 TRP A 71 84.452 2.660 -8.497 1.00 0.00 C ATOM 1132 CD2 TRP A 71 84.237 4.781 -9.209 1.00 0.00 C ATOM 1133 NE1 TRP A 71 83.915 2.671 -9.760 1.00 0.00 N ATOM 1134 CE2 TRP A 71 83.769 3.951 -10.251 1.00 0.00 C ATOM 1135 CE3 TRP A 71 84.213 6.173 -9.409 1.00 0.00 C ATOM 1136 CZ2 TRP A 71 83.291 4.479 -11.451 1.00 0.00 C ATOM 1137 CZ3 TRP A 71 83.734 6.710 -10.616 1.00 0.00 C ATOM 1138 CH2 TRP A 71 83.274 5.864 -11.635 1.00 0.00 C ATOM 0 H TRP A 71 86.198 1.858 -7.638 1.00 0.00 H new ATOM 0 HA TRP A 71 86.598 3.734 -5.318 1.00 0.00 H new ATOM 0 HB2 TRP A 71 84.395 4.734 -6.144 1.00 0.00 H new ATOM 0 HB3 TRP A 71 85.886 5.222 -6.924 1.00 0.00 H new ATOM 0 HD1 TRP A 71 84.672 1.777 -7.916 1.00 0.00 H new ATOM 0 HE1 TRP A 71 83.654 1.830 -10.275 1.00 0.00 H new ATOM 0 HE3 TRP A 71 84.565 6.833 -8.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 82.937 3.822 -12.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 83.720 7.780 -10.759 1.00 0.00 H new ATOM 0 HH2 TRP A 71 82.907 6.282 -12.561 1.00 0.00 H new ATOM 1149 N LEU A 72 85.357 1.830 -4.221 1.00 0.00 N ATOM 1150 CA LEU A 72 84.510 0.835 -3.531 1.00 0.00 C ATOM 1151 C LEU A 72 83.134 1.422 -3.257 1.00 0.00 C ATOM 1152 O LEU A 72 82.847 1.937 -2.196 1.00 0.00 O ATOM 1153 CB LEU A 72 85.189 0.412 -2.231 1.00 0.00 C ATOM 1154 CG LEU A 72 86.642 -0.024 -2.517 1.00 0.00 C ATOM 1155 CD1 LEU A 72 87.475 0.100 -1.237 1.00 0.00 C ATOM 1156 CD2 LEU A 72 86.681 -1.482 -3.039 1.00 0.00 C ATOM 0 H LEU A 72 86.204 2.103 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 72 84.383 -0.043 -4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 72 85.181 1.238 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 72 84.637 -0.408 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 72 87.061 0.626 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 72 88.501 -0.208 -1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 72 87.467 1.136 -0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 72 87.050 -0.539 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.714 -1.771 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 72 86.254 -2.148 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 72 86.103 -1.554 -3.960 1.00 0.00 H new ATOM 1168 N LEU A 73 82.279 1.320 -4.238 1.00 0.00 N ATOM 1169 CA LEU A 73 80.878 1.827 -4.116 1.00 0.00 C ATOM 1170 C LEU A 73 79.919 0.648 -4.318 1.00 0.00 C ATOM 1171 O LEU A 73 78.722 0.817 -4.441 1.00 0.00 O ATOM 1172 CB LEU A 73 80.614 2.930 -5.167 1.00 0.00 C ATOM 1173 CG LEU A 73 80.987 2.460 -6.605 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.741 1.945 -7.347 1.00 0.00 C ATOM 1175 CD2 LEU A 73 81.566 3.633 -7.412 1.00 0.00 C ATOM 0 H LEU A 73 82.496 0.897 -5.140 1.00 0.00 H new ATOM 0 HA LEU A 73 80.722 2.263 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 73 79.562 3.215 -5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 73 81.192 3.819 -4.914 1.00 0.00 H new ATOM 0 HG LEU A 73 81.723 1.661 -6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 73 80.022 1.621 -8.349 1.00 0.00 H new ATOM 0 HD12 LEU A 73 79.314 1.104 -6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 73 79.003 2.744 -7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 73 81.823 3.293 -8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 73 80.825 4.430 -7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 73 82.461 4.009 -6.916 1.00 0.00 H new ATOM 1187 N LYS A 74 80.447 -0.555 -4.341 1.00 0.00 N ATOM 1188 CA LYS A 74 79.585 -1.764 -4.525 1.00 0.00 C ATOM 1189 C LYS A 74 79.157 -2.299 -3.151 1.00 0.00 C ATOM 1190 O LYS A 74 79.567 -3.366 -2.737 1.00 0.00 O ATOM 1191 CB LYS A 74 80.378 -2.857 -5.265 1.00 0.00 C ATOM 1192 CG LYS A 74 80.269 -2.676 -6.787 1.00 0.00 C ATOM 1193 CD LYS A 74 80.826 -1.313 -7.207 1.00 0.00 C ATOM 1194 CE LYS A 74 82.299 -1.185 -6.801 1.00 0.00 C ATOM 1195 NZ LYS A 74 82.984 -2.497 -6.965 1.00 0.00 N ATOM 0 H LYS A 74 81.443 -0.750 -4.240 1.00 0.00 H new ATOM 0 HA LYS A 74 78.704 -1.493 -5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 74 81.425 -2.819 -4.964 1.00 0.00 H new ATOM 0 HB3 LYS A 74 80.000 -3.840 -4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 74 80.816 -3.471 -7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 74 79.227 -2.760 -7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 74 80.728 -1.191 -8.286 1.00 0.00 H new ATOM 0 HD3 LYS A 74 80.244 -0.517 -6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 74 82.790 -0.429 -7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 74 82.373 -0.853 -5.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 83.993 -2.393 -6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 82.555 -3.195 -6.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 82.883 -2.821 -7.948 1.00 0.00 H new ATOM 1209 N THR A 75 78.335 -1.579 -2.447 1.00 0.00 N ATOM 1210 CA THR A 75 77.880 -2.061 -1.112 1.00 0.00 C ATOM 1211 C THR A 75 77.151 -3.400 -1.287 1.00 0.00 C ATOM 1212 O THR A 75 76.748 -4.036 -0.333 1.00 0.00 O ATOM 1213 CB THR A 75 76.928 -1.022 -0.505 1.00 0.00 C ATOM 1214 OG1 THR A 75 77.437 0.281 -0.755 1.00 0.00 O ATOM 1215 CG2 THR A 75 76.811 -1.242 1.004 1.00 0.00 C ATOM 0 H THR A 75 77.957 -0.677 -2.736 1.00 0.00 H new ATOM 0 HA THR A 75 78.734 -2.199 -0.449 1.00 0.00 H new ATOM 0 HB THR A 75 75.942 -1.127 -0.959 1.00 0.00 H new ATOM 0 HG1 THR A 75 77.035 0.916 -0.126 1.00 0.00 H new ATOM 0 HG21 THR A 75 76.134 -0.501 1.428 1.00 0.00 H new ATOM 0 HG22 THR A 75 76.422 -2.242 1.197 1.00 0.00 H new ATOM 0 HG23 THR A 75 77.794 -1.140 1.464 1.00 0.00 H new ATOM 1223 N HIS A 76 76.958 -3.813 -2.508 1.00 0.00 N ATOM 1224 CA HIS A 76 76.231 -5.088 -2.778 1.00 0.00 C ATOM 1225 C HIS A 76 76.922 -6.296 -2.128 1.00 0.00 C ATOM 1226 O HIS A 76 76.337 -6.980 -1.311 1.00 0.00 O ATOM 1227 CB HIS A 76 76.152 -5.307 -4.290 1.00 0.00 C ATOM 1228 CG HIS A 76 75.218 -4.293 -4.895 1.00 0.00 C ATOM 1229 ND1 HIS A 76 75.658 -3.311 -5.769 1.00 0.00 N ATOM 1230 CD2 HIS A 76 73.866 -4.097 -4.762 1.00 0.00 C ATOM 1231 CE1 HIS A 76 74.589 -2.576 -6.124 1.00 0.00 C ATOM 1232 NE2 HIS A 76 73.471 -3.012 -5.539 1.00 0.00 N ATOM 0 H HIS A 76 77.276 -3.317 -3.341 1.00 0.00 H new ATOM 0 HA HIS A 76 75.234 -5.003 -2.345 1.00 0.00 H new ATOM 0 HB2 HIS A 76 77.143 -5.215 -4.734 1.00 0.00 H new ATOM 0 HB3 HIS A 76 75.799 -6.316 -4.504 1.00 0.00 H new ATOM 0 HD2 HIS A 76 73.208 -4.694 -4.148 1.00 0.00 H new ATOM 0 HE1 HIS A 76 74.630 -1.735 -6.800 1.00 0.00 H new ATOM 0 HE2 HIS A 76 72.530 -2.632 -5.640 1.00 0.00 H new ATOM 1240 N TRP A 77 78.140 -6.597 -2.502 1.00 0.00 N ATOM 1241 CA TRP A 77 78.825 -7.794 -1.921 1.00 0.00 C ATOM 1242 C TRP A 77 79.563 -7.426 -0.623 1.00 0.00 C ATOM 1243 O TRP A 77 79.232 -6.452 0.024 1.00 0.00 O ATOM 1244 CB TRP A 77 79.787 -8.387 -2.964 1.00 0.00 C ATOM 1245 CG TRP A 77 80.481 -7.319 -3.742 1.00 0.00 C ATOM 1246 CD1 TRP A 77 80.115 -6.906 -4.972 1.00 0.00 C ATOM 1247 CD2 TRP A 77 81.667 -6.547 -3.387 1.00 0.00 C ATOM 1248 NE1 TRP A 77 80.998 -5.935 -5.396 1.00 0.00 N ATOM 1249 CE2 TRP A 77 81.970 -5.674 -4.454 1.00 0.00 C ATOM 1250 CE3 TRP A 77 82.498 -6.518 -2.256 1.00 0.00 C ATOM 1251 CZ2 TRP A 77 83.061 -4.804 -4.402 1.00 0.00 C ATOM 1252 CZ3 TRP A 77 83.595 -5.644 -2.197 1.00 0.00 C ATOM 1253 CH2 TRP A 77 83.877 -4.789 -3.269 1.00 0.00 C ATOM 0 H TRP A 77 78.688 -6.069 -3.181 1.00 0.00 H new ATOM 0 HA TRP A 77 78.079 -8.547 -1.665 1.00 0.00 H new ATOM 0 HB2 TRP A 77 80.527 -9.012 -2.464 1.00 0.00 H new ATOM 0 HB3 TRP A 77 79.233 -9.032 -3.645 1.00 0.00 H new ATOM 0 HD1 TRP A 77 79.269 -7.275 -5.533 1.00 0.00 H new ATOM 0 HE1 TRP A 77 80.939 -5.466 -6.300 1.00 0.00 H new ATOM 0 HE3 TRP A 77 82.291 -7.174 -1.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 83.272 -4.147 -5.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 84.225 -5.631 -1.320 1.00 0.00 H new ATOM 0 HH2 TRP A 77 84.723 -4.120 -3.220 1.00 0.00 H new ATOM 1264 N THR A 78 80.540 -8.215 -0.211 1.00 0.00 N ATOM 1265 CA THR A 78 81.263 -7.924 1.066 1.00 0.00 C ATOM 1266 C THR A 78 82.768 -8.177 0.894 1.00 0.00 C ATOM 1267 O THR A 78 83.213 -8.813 -0.040 1.00 0.00 O ATOM 1268 CB THR A 78 80.695 -8.861 2.171 1.00 0.00 C ATOM 1269 OG1 THR A 78 79.482 -9.435 1.710 1.00 0.00 O ATOM 1270 CG2 THR A 78 80.419 -8.103 3.476 1.00 0.00 C ATOM 0 H THR A 78 80.862 -9.045 -0.709 1.00 0.00 H new ATOM 0 HA THR A 78 81.120 -6.880 1.344 1.00 0.00 H new ATOM 0 HB THR A 78 81.440 -9.630 2.376 1.00 0.00 H new ATOM 0 HG1 THR A 78 79.118 -10.028 2.400 1.00 0.00 H new ATOM 0 HG21 THR A 78 80.024 -8.793 4.221 1.00 0.00 H new ATOM 0 HG22 THR A 78 81.346 -7.663 3.844 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.691 -7.313 3.291 1.00 0.00 H new ATOM 1278 N LEU A 79 83.531 -7.683 1.823 1.00 0.00 N ATOM 1279 CA LEU A 79 85.015 -7.860 1.815 1.00 0.00 C ATOM 1280 C LEU A 79 85.364 -9.272 1.340 1.00 0.00 C ATOM 1281 O LEU A 79 85.968 -9.473 0.310 1.00 0.00 O ATOM 1282 CB LEU A 79 85.516 -7.717 3.258 1.00 0.00 C ATOM 1283 CG LEU A 79 85.697 -6.254 3.651 1.00 0.00 C ATOM 1284 CD1 LEU A 79 84.360 -5.523 3.553 1.00 0.00 C ATOM 1285 CD2 LEU A 79 86.186 -6.207 5.101 1.00 0.00 C ATOM 0 H LEU A 79 83.180 -7.145 2.616 1.00 0.00 H new ATOM 0 HA LEU A 79 85.470 -7.121 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 79 84.808 -8.191 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 79 86.464 -8.243 3.368 1.00 0.00 H new ATOM 0 HG LEU A 79 86.415 -5.776 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 79 84.495 -4.479 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 79 83.990 -5.578 2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 79 83.640 -5.990 4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 79 86.323 -5.169 5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 79 85.449 -6.681 5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 79 87.135 -6.737 5.182 1.00 0.00 H new ATOM 1297 N ASP A 80 84.982 -10.240 2.120 1.00 0.00 N ATOM 1298 CA ASP A 80 85.269 -11.661 1.789 1.00 0.00 C ATOM 1299 C ASP A 80 84.977 -11.928 0.329 1.00 0.00 C ATOM 1300 O ASP A 80 85.789 -12.462 -0.400 1.00 0.00 O ATOM 1301 CB ASP A 80 84.352 -12.534 2.626 1.00 0.00 C ATOM 1302 CG ASP A 80 84.689 -14.009 2.396 1.00 0.00 C ATOM 1303 OD1 ASP A 80 85.865 -14.332 2.378 1.00 0.00 O ATOM 1304 OD2 ASP A 80 83.764 -14.790 2.242 1.00 0.00 O ATOM 0 H ASP A 80 84.472 -10.103 2.992 1.00 0.00 H new ATOM 0 HA ASP A 80 86.318 -11.877 1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 80 84.463 -12.286 3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 80 83.312 -12.343 2.361 1.00 0.00 H new ATOM 1309 N LYS A 81 83.804 -11.575 -0.091 1.00 0.00 N ATOM 1310 CA LYS A 81 83.407 -11.812 -1.496 1.00 0.00 C ATOM 1311 C LYS A 81 84.538 -11.395 -2.427 1.00 0.00 C ATOM 1312 O LYS A 81 85.002 -12.164 -3.245 1.00 0.00 O ATOM 1313 CB LYS A 81 82.163 -10.988 -1.809 1.00 0.00 C ATOM 1314 CG LYS A 81 81.175 -11.047 -0.636 1.00 0.00 C ATOM 1315 CD LYS A 81 80.951 -12.492 -0.188 1.00 0.00 C ATOM 1316 CE LYS A 81 79.801 -12.544 0.825 1.00 0.00 C ATOM 1317 NZ LYS A 81 79.310 -13.946 0.945 1.00 0.00 N ATOM 0 H LYS A 81 83.094 -11.126 0.487 1.00 0.00 H new ATOM 0 HA LYS A 81 83.195 -12.871 -1.641 1.00 0.00 H new ATOM 0 HB2 LYS A 81 82.444 -9.953 -2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 81 81.687 -11.366 -2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 81 81.557 -10.458 0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 81 80.225 -10.602 -0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 81 80.719 -13.119 -1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 81 81.862 -12.890 0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 81 80.140 -12.181 1.795 1.00 0.00 H new ATOM 0 HE3 LYS A 81 78.990 -11.889 0.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 78.530 -13.983 1.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 78.972 -14.276 0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 80.085 -14.559 1.269 1.00 0.00 H new ATOM 1331 N TYR A 82 84.987 -10.182 -2.305 1.00 0.00 N ATOM 1332 CA TYR A 82 86.095 -9.728 -3.189 1.00 0.00 C ATOM 1333 C TYR A 82 87.401 -10.377 -2.721 1.00 0.00 C ATOM 1334 O TYR A 82 88.185 -10.856 -3.516 1.00 0.00 O ATOM 1335 CB TYR A 82 86.206 -8.192 -3.141 1.00 0.00 C ATOM 1336 CG TYR A 82 86.722 -7.668 -4.470 1.00 0.00 C ATOM 1337 CD1 TYR A 82 85.928 -6.816 -5.250 1.00 0.00 C ATOM 1338 CD2 TYR A 82 87.993 -8.043 -4.923 1.00 0.00 C ATOM 1339 CE1 TYR A 82 86.406 -6.340 -6.478 1.00 0.00 C ATOM 1340 CE2 TYR A 82 88.471 -7.567 -6.150 1.00 0.00 C ATOM 1341 CZ TYR A 82 87.677 -6.716 -6.927 1.00 0.00 C ATOM 1342 OH TYR A 82 88.148 -6.247 -8.137 1.00 0.00 O ATOM 0 H TYR A 82 84.641 -9.490 -1.640 1.00 0.00 H new ATOM 0 HA TYR A 82 85.896 -10.025 -4.219 1.00 0.00 H new ATOM 0 HB2 TYR A 82 85.232 -7.755 -2.922 1.00 0.00 H new ATOM 0 HB3 TYR A 82 86.878 -7.892 -2.337 1.00 0.00 H new ATOM 0 HD1 TYR A 82 84.947 -6.526 -4.904 1.00 0.00 H new ATOM 0 HD2 TYR A 82 88.606 -8.701 -4.325 1.00 0.00 H new ATOM 0 HE1 TYR A 82 85.794 -5.683 -7.078 1.00 0.00 H new ATOM 0 HE2 TYR A 82 89.452 -7.856 -6.497 1.00 0.00 H new ATOM 0 HH TYR A 82 89.047 -6.603 -8.298 1.00 0.00 H new ATOM 1352 N GLY A 83 87.634 -10.399 -1.431 1.00 0.00 N ATOM 1353 CA GLY A 83 88.887 -11.018 -0.887 1.00 0.00 C ATOM 1354 C GLY A 83 89.682 -9.950 -0.142 1.00 0.00 C ATOM 1355 O GLY A 83 90.827 -10.145 0.215 1.00 0.00 O ATOM 0 H GLY A 83 87.007 -10.012 -0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 83 88.640 -11.841 -0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 83 89.484 -11.436 -1.698 1.00 0.00 H new ATOM 1359 N ILE A 84 89.076 -8.824 0.098 1.00 0.00 N ATOM 1360 CA ILE A 84 89.778 -7.735 0.826 1.00 0.00 C ATOM 1361 C ILE A 84 90.155 -8.235 2.218 1.00 0.00 C ATOM 1362 O ILE A 84 89.609 -9.203 2.702 1.00 0.00 O ATOM 1363 CB ILE A 84 88.842 -6.531 0.945 1.00 0.00 C ATOM 1364 CG1 ILE A 84 88.580 -5.935 -0.452 1.00 0.00 C ATOM 1365 CG2 ILE A 84 89.486 -5.471 1.841 1.00 0.00 C ATOM 1366 CD1 ILE A 84 87.229 -5.217 -0.469 1.00 0.00 C ATOM 0 H ILE A 84 88.118 -8.610 -0.181 1.00 0.00 H new ATOM 0 HA ILE A 84 90.679 -7.441 0.288 1.00 0.00 H new ATOM 0 HB ILE A 84 87.896 -6.851 1.382 1.00 0.00 H new ATOM 0 HG12 ILE A 84 89.375 -5.237 -0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 84 88.590 -6.726 -1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 84 88.819 -4.613 1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 84 89.665 -5.891 2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 84 90.433 -5.153 1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 84 87.052 -4.799 -1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 84 86.437 -5.926 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 84 87.234 -4.414 0.268 1.00 0.00 H new ATOM 1378 N GLN A 85 91.083 -7.588 2.864 1.00 0.00 N ATOM 1379 CA GLN A 85 91.486 -8.039 4.223 1.00 0.00 C ATOM 1380 C GLN A 85 92.227 -6.902 4.933 1.00 0.00 C ATOM 1381 O GLN A 85 92.254 -5.776 4.478 1.00 0.00 O ATOM 1382 CB GLN A 85 92.415 -9.268 4.103 1.00 0.00 C ATOM 1383 CG GLN A 85 92.208 -10.230 5.296 1.00 0.00 C ATOM 1384 CD GLN A 85 91.100 -11.230 4.971 1.00 0.00 C ATOM 1385 OE1 GLN A 85 91.247 -12.418 5.185 1.00 0.00 O ATOM 1386 NE2 GLN A 85 89.992 -10.790 4.457 1.00 0.00 N ATOM 0 H GLN A 85 91.578 -6.769 2.511 1.00 0.00 H new ATOM 0 HA GLN A 85 90.600 -8.311 4.797 1.00 0.00 H new ATOM 0 HB2 GLN A 85 92.214 -9.792 3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 85 93.455 -8.942 4.069 1.00 0.00 H new ATOM 0 HG2 GLN A 85 93.136 -10.760 5.513 1.00 0.00 H new ATOM 0 HG3 GLN A 85 91.948 -9.664 6.190 1.00 0.00 H new ATOM 0 HE21 GLN A 85 89.873 -9.793 4.279 1.00 0.00 H new ATOM 0 HE22 GLN A 85 89.241 -11.442 4.231 1.00 0.00 H new ATOM 1395 N ALA A 86 92.833 -7.203 6.041 1.00 0.00 N ATOM 1396 CA ALA A 86 93.582 -6.169 6.800 1.00 0.00 C ATOM 1397 C ALA A 86 94.843 -5.776 6.024 1.00 0.00 C ATOM 1398 O ALA A 86 95.423 -4.731 6.248 1.00 0.00 O ATOM 1399 CB ALA A 86 93.964 -6.764 8.168 1.00 0.00 C ATOM 0 H ALA A 86 92.842 -8.133 6.459 1.00 0.00 H new ATOM 0 HA ALA A 86 92.970 -5.278 6.939 1.00 0.00 H new ATOM 0 HB1 ALA A 86 94.516 -6.023 8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 86 93.060 -7.045 8.708 1.00 0.00 H new ATOM 0 HB3 ALA A 86 94.587 -7.646 8.020 1.00 0.00 H new ATOM 1405 N ASP A 87 95.275 -6.609 5.122 1.00 0.00 N ATOM 1406 CA ASP A 87 96.500 -6.288 4.344 1.00 0.00 C ATOM 1407 C ASP A 87 96.141 -5.324 3.220 1.00 0.00 C ATOM 1408 O ASP A 87 96.996 -4.797 2.536 1.00 0.00 O ATOM 1409 CB ASP A 87 97.068 -7.574 3.749 1.00 0.00 C ATOM 1410 CG ASP A 87 95.955 -8.338 3.032 1.00 0.00 C ATOM 1411 OD1 ASP A 87 96.104 -9.536 2.856 1.00 0.00 O ATOM 1412 OD2 ASP A 87 94.972 -7.712 2.670 1.00 0.00 O ATOM 0 H ASP A 87 94.833 -7.498 4.890 1.00 0.00 H new ATOM 0 HA ASP A 87 97.243 -5.828 4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 87 97.872 -7.340 3.051 1.00 0.00 H new ATOM 0 HB3 ASP A 87 97.499 -8.192 4.536 1.00 0.00 H new ATOM 1417 N ALA A 88 94.874 -5.090 3.026 1.00 0.00 N ATOM 1418 CA ALA A 88 94.434 -4.160 1.949 1.00 0.00 C ATOM 1419 C ALA A 88 94.278 -2.758 2.550 1.00 0.00 C ATOM 1420 O ALA A 88 93.420 -2.528 3.368 1.00 0.00 O ATOM 1421 CB ALA A 88 93.084 -4.668 1.392 1.00 0.00 C ATOM 0 H ALA A 88 94.119 -5.506 3.571 1.00 0.00 H new ATOM 0 HA ALA A 88 95.163 -4.119 1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 88 92.743 -4.001 0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 88 93.212 -5.673 0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 88 92.345 -4.689 2.193 1.00 0.00 H new ATOM 1427 N LYS A 89 95.096 -1.818 2.157 1.00 0.00 N ATOM 1428 CA LYS A 89 94.970 -0.438 2.722 1.00 0.00 C ATOM 1429 C LYS A 89 94.084 0.405 1.815 1.00 0.00 C ATOM 1430 O LYS A 89 94.402 0.674 0.673 1.00 0.00 O ATOM 1431 CB LYS A 89 96.346 0.225 2.860 1.00 0.00 C ATOM 1432 CG LYS A 89 97.391 -0.785 3.347 1.00 0.00 C ATOM 1433 CD LYS A 89 97.128 -1.187 4.808 1.00 0.00 C ATOM 1434 CE LYS A 89 97.840 -2.504 5.106 1.00 0.00 C ATOM 1435 NZ LYS A 89 99.306 -2.342 4.887 1.00 0.00 N ATOM 0 H LYS A 89 95.843 -1.942 1.473 1.00 0.00 H new ATOM 0 HA LYS A 89 94.522 -0.510 3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 89 96.653 0.638 1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 89 96.285 1.058 3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 89 97.369 -1.671 2.712 1.00 0.00 H new ATOM 0 HG3 LYS A 89 98.388 -0.354 3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 89 97.484 -0.407 5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 89 96.057 -1.292 4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 89 97.647 -2.808 6.135 1.00 0.00 H new ATOM 0 HE3 LYS A 89 97.451 -3.293 4.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 99.809 -3.164 5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 99.499 -2.273 3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 99.634 -1.476 5.361 1.00 0.00 H new ATOM 1449 N LEU A 90 92.968 0.817 2.335 1.00 0.00 N ATOM 1450 CA LEU A 90 92.008 1.650 1.554 1.00 0.00 C ATOM 1451 C LEU A 90 92.215 3.123 1.897 1.00 0.00 C ATOM 1452 O LEU A 90 93.028 3.476 2.722 1.00 0.00 O ATOM 1453 CB LEU A 90 90.570 1.239 1.884 1.00 0.00 C ATOM 1454 CG LEU A 90 90.491 -0.279 2.005 1.00 0.00 C ATOM 1455 CD1 LEU A 90 89.038 -0.701 2.233 1.00 0.00 C ATOM 1456 CD2 LEU A 90 91.013 -0.926 0.719 1.00 0.00 C ATOM 0 H LEU A 90 92.671 0.609 3.288 1.00 0.00 H new ATOM 0 HA LEU A 90 92.185 1.497 0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 90 90.252 1.706 2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 90 89.893 1.588 1.105 1.00 0.00 H new ATOM 0 HG LEU A 90 91.101 -0.604 2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 90 88.984 -1.786 2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 90 88.666 -0.245 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 90 88.428 -0.373 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 90 90.955 -2.011 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 90 90.406 -0.599 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 90 92.049 -0.630 0.557 1.00 0.00 H new ATOM 1468 N GLN A 91 91.487 3.981 1.246 1.00 0.00 N ATOM 1469 CA GLN A 91 91.594 5.446 1.500 1.00 0.00 C ATOM 1470 C GLN A 91 90.174 5.984 1.641 1.00 0.00 C ATOM 1471 O GLN A 91 89.225 5.307 1.319 1.00 0.00 O ATOM 1472 CB GLN A 91 92.257 6.155 0.309 1.00 0.00 C ATOM 1473 CG GLN A 91 93.568 5.454 -0.101 1.00 0.00 C ATOM 1474 CD GLN A 91 93.869 5.746 -1.564 1.00 0.00 C ATOM 1475 OE1 GLN A 91 94.740 5.139 -2.155 1.00 0.00 O ATOM 1476 NE2 GLN A 91 93.185 6.664 -2.169 1.00 0.00 N ATOM 0 H GLN A 91 90.806 3.725 0.531 1.00 0.00 H new ATOM 0 HA GLN A 91 92.193 5.623 2.394 1.00 0.00 H new ATOM 0 HB2 GLN A 91 91.570 6.169 -0.537 1.00 0.00 H new ATOM 0 HB3 GLN A 91 92.463 7.193 0.570 1.00 0.00 H new ATOM 0 HG2 GLN A 91 94.389 5.802 0.526 1.00 0.00 H new ATOM 0 HG3 GLN A 91 93.481 4.379 0.055 1.00 0.00 H new ATOM 0 HE21 GLN A 91 92.455 7.170 -1.667 1.00 0.00 H new ATOM 0 HE22 GLN A 91 93.376 6.881 -3.147 1.00 0.00 H new ATOM 1485 N PHE A 92 90.018 7.199 2.091 1.00 0.00 N ATOM 1486 CA PHE A 92 88.647 7.793 2.224 1.00 0.00 C ATOM 1487 C PHE A 92 88.707 9.191 1.622 1.00 0.00 C ATOM 1488 O PHE A 92 89.211 10.122 2.218 1.00 0.00 O ATOM 1489 CB PHE A 92 88.255 7.808 3.710 1.00 0.00 C ATOM 1490 CG PHE A 92 86.885 8.430 3.949 1.00 0.00 C ATOM 1491 CD1 PHE A 92 86.730 9.381 4.969 1.00 0.00 C ATOM 1492 CD2 PHE A 92 85.763 8.038 3.193 1.00 0.00 C ATOM 1493 CE1 PHE A 92 85.476 9.936 5.230 1.00 0.00 C ATOM 1494 CE2 PHE A 92 84.509 8.603 3.456 1.00 0.00 C ATOM 1495 CZ PHE A 92 84.366 9.551 4.474 1.00 0.00 C ATOM 0 H PHE A 92 90.782 7.813 2.375 1.00 0.00 H new ATOM 0 HA PHE A 92 87.887 7.215 1.698 1.00 0.00 H new ATOM 0 HB2 PHE A 92 88.258 6.787 4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 92 89.005 8.363 4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 92 87.585 9.685 5.555 1.00 0.00 H new ATOM 0 HD2 PHE A 92 85.870 7.302 2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 92 85.364 10.665 6.019 1.00 0.00 H new ATOM 0 HE2 PHE A 92 83.651 8.306 2.872 1.00 0.00 H new ATOM 0 HZ PHE A 92 83.398 9.985 4.676 1.00 0.00 H new ATOM 1505 N THR A 93 88.257 9.318 0.397 1.00 0.00 N ATOM 1506 CA THR A 93 88.353 10.641 -0.311 1.00 0.00 C ATOM 1507 C THR A 93 87.125 10.898 -1.203 1.00 0.00 C ATOM 1508 O THR A 93 86.404 9.985 -1.555 1.00 0.00 O ATOM 1509 CB THR A 93 89.617 10.609 -1.203 1.00 0.00 C ATOM 1510 OG1 THR A 93 89.378 11.313 -2.416 1.00 0.00 O ATOM 1511 CG2 THR A 93 89.984 9.157 -1.545 1.00 0.00 C ATOM 0 H THR A 93 87.828 8.568 -0.145 1.00 0.00 H new ATOM 0 HA THR A 93 88.401 11.437 0.432 1.00 0.00 H new ATOM 0 HB THR A 93 90.434 11.080 -0.657 1.00 0.00 H new ATOM 0 HG1 THR A 93 90.184 11.288 -2.973 1.00 0.00 H new ATOM 0 HG21 THR A 93 90.875 9.145 -2.173 1.00 0.00 H new ATOM 0 HG22 THR A 93 90.181 8.605 -0.626 1.00 0.00 H new ATOM 0 HG23 THR A 93 89.157 8.689 -2.079 1.00 0.00 H new ATOM 1642 N SER B 547 55.314 26.549 13.855 1.00 0.00 N ATOM 1643 CA SER B 547 55.147 25.251 14.563 1.00 0.00 C ATOM 1644 C SER B 547 56.388 25.021 15.418 1.00 0.00 C ATOM 1645 O SER B 547 57.480 24.958 14.913 1.00 0.00 O ATOM 1646 CB SER B 547 55.011 24.129 13.530 1.00 0.00 C ATOM 1647 OG SER B 547 53.640 23.975 13.183 1.00 0.00 O ATOM 0 HA SER B 547 54.256 25.263 15.190 1.00 0.00 H new ATOM 0 HB2 SER B 547 55.599 24.363 12.642 1.00 0.00 H new ATOM 0 HB3 SER B 547 55.403 23.196 13.935 1.00 0.00 H new ATOM 0 HG SER B 547 53.549 23.259 12.520 1.00 0.00 H new ATOM 1653 N LEU B 548 56.244 24.918 16.702 1.00 0.00 N ATOM 1654 CA LEU B 548 57.444 24.720 17.554 1.00 0.00 C ATOM 1655 C LEU B 548 58.175 23.447 17.146 1.00 0.00 C ATOM 1656 O LEU B 548 57.574 22.415 16.973 1.00 0.00 O ATOM 1657 CB LEU B 548 57.012 24.634 19.034 1.00 0.00 C ATOM 1658 CG LEU B 548 57.247 25.988 19.730 1.00 0.00 C ATOM 1659 CD1 LEU B 548 56.245 27.021 19.211 1.00 0.00 C ATOM 1660 CD2 LEU B 548 57.082 25.838 21.239 1.00 0.00 C ATOM 0 H LEU B 548 55.354 24.962 17.199 1.00 0.00 H new ATOM 0 HA LEU B 548 58.121 25.564 17.424 1.00 0.00 H new ATOM 0 HB2 LEU B 548 55.959 24.360 19.099 1.00 0.00 H new ATOM 0 HB3 LEU B 548 57.577 23.852 19.542 1.00 0.00 H new ATOM 0 HG LEU B 548 58.261 26.322 19.511 1.00 0.00 H new ATOM 0 HD11 LEU B 548 56.417 27.976 19.707 1.00 0.00 H new ATOM 0 HD12 LEU B 548 56.372 27.143 18.135 1.00 0.00 H new ATOM 0 HD13 LEU B 548 55.231 26.681 19.420 1.00 0.00 H new ATOM 0 HD21 LEU B 548 57.250 26.801 21.721 1.00 0.00 H new ATOM 0 HD22 LEU B 548 56.073 25.492 21.462 1.00 0.00 H new ATOM 0 HD23 LEU B 548 57.805 25.113 21.614 1.00 0.00 H new ATOM 1672 N CYS B 549 59.479 23.508 17.033 1.00 0.00 N ATOM 1673 CA CYS B 549 60.238 22.288 16.671 1.00 0.00 C ATOM 1674 C CYS B 549 60.455 21.522 17.964 1.00 0.00 C ATOM 1675 O CYS B 549 61.266 21.876 18.794 1.00 0.00 O ATOM 1676 CB CYS B 549 61.585 22.705 16.055 1.00 0.00 C ATOM 1677 SG CYS B 549 62.830 21.384 16.223 1.00 0.00 S ATOM 0 H CYS B 549 60.041 24.347 17.176 1.00 0.00 H new ATOM 0 HA CYS B 549 59.709 21.672 15.944 1.00 0.00 H new ATOM 0 HB2 CYS B 549 61.446 22.944 15.001 1.00 0.00 H new ATOM 0 HB3 CYS B 549 61.945 23.611 16.543 1.00 0.00 H new ATOM 0 HG CYS B 549 62.238 20.264 16.516 1.00 0.00 H new ATOM 1682 N SER B 550 59.698 20.483 18.140 1.00 0.00 N ATOM 1683 CA SER B 550 59.796 19.680 19.381 1.00 0.00 C ATOM 1684 C SER B 550 61.252 19.355 19.665 1.00 0.00 C ATOM 1685 O SER B 550 61.972 18.841 18.832 1.00 0.00 O ATOM 1686 CB SER B 550 58.968 18.411 19.233 1.00 0.00 C ATOM 1687 OG SER B 550 59.426 17.435 20.160 1.00 0.00 O ATOM 0 H SER B 550 59.006 20.152 17.468 1.00 0.00 H new ATOM 0 HA SER B 550 59.403 20.249 20.223 1.00 0.00 H new ATOM 0 HB2 SER B 550 57.915 18.629 19.409 1.00 0.00 H new ATOM 0 HB3 SER B 550 59.049 18.028 18.216 1.00 0.00 H new ATOM 0 HG SER B 550 58.892 16.619 20.066 1.00 0.00 H new ATOM 1693 N GLY B 551 61.688 19.703 20.839 1.00 0.00 N ATOM 1694 CA GLY B 551 63.110 19.489 21.235 1.00 0.00 C ATOM 1695 C GLY B 551 63.751 20.863 21.297 1.00 0.00 C ATOM 1696 O GLY B 551 64.590 21.150 22.128 1.00 0.00 O ATOM 0 H GLY B 551 61.109 20.136 21.558 1.00 0.00 H new ATOM 0 HA2 GLY B 551 63.173 18.988 22.201 1.00 0.00 H new ATOM 0 HA3 GLY B 551 63.623 18.854 20.513 1.00 0.00 H new ATOM 1700 N CYS B 552 63.318 21.721 20.421 1.00 0.00 N ATOM 1701 CA CYS B 552 63.824 23.111 20.381 1.00 0.00 C ATOM 1702 C CYS B 552 62.733 24.005 20.959 1.00 0.00 C ATOM 1703 O CYS B 552 62.988 24.997 21.610 1.00 0.00 O ATOM 1704 CB CYS B 552 64.050 23.491 18.918 1.00 0.00 C ATOM 1705 SG CYS B 552 65.694 22.964 18.387 1.00 0.00 S ATOM 0 H CYS B 552 62.615 21.507 19.713 1.00 0.00 H new ATOM 0 HA CYS B 552 64.752 23.217 20.943 1.00 0.00 H new ATOM 0 HB2 CYS B 552 63.290 23.024 18.291 1.00 0.00 H new ATOM 0 HB3 CYS B 552 63.947 24.569 18.794 1.00 0.00 H new ATOM 0 HG CYS B 552 65.848 23.230 17.124 1.00 0.00 H new ATOM 1710 N GLN B 553 61.510 23.645 20.693 1.00 0.00 N ATOM 1711 CA GLN B 553 60.357 24.440 21.168 1.00 0.00 C ATOM 1712 C GLN B 553 60.501 25.879 20.714 1.00 0.00 C ATOM 1713 O GLN B 553 60.459 26.819 21.482 1.00 0.00 O ATOM 1714 CB GLN B 553 60.212 24.344 22.674 1.00 0.00 C ATOM 1715 CG GLN B 553 59.870 22.897 23.029 1.00 0.00 C ATOM 1716 CD GLN B 553 58.482 22.516 22.501 1.00 0.00 C ATOM 1717 OE1 GLN B 553 57.501 22.589 23.214 1.00 0.00 O ATOM 1718 NE2 GLN B 553 58.370 22.110 21.266 1.00 0.00 N ATOM 0 H GLN B 553 61.261 22.815 20.155 1.00 0.00 H new ATOM 0 HA GLN B 553 59.445 24.032 20.732 1.00 0.00 H new ATOM 0 HB2 GLN B 553 61.136 24.648 23.165 1.00 0.00 H new ATOM 0 HB3 GLN B 553 59.429 25.017 23.024 1.00 0.00 H new ATOM 0 HG2 GLN B 553 60.620 22.228 22.607 1.00 0.00 H new ATOM 0 HG3 GLN B 553 59.900 22.767 24.111 1.00 0.00 H new ATOM 0 HE21 GLN B 553 59.197 22.051 20.672 1.00 0.00 H new ATOM 0 HE22 GLN B 553 57.456 21.852 20.895 1.00 0.00 H new ATOM 1727 N LYS B 554 60.628 26.022 19.434 1.00 0.00 N ATOM 1728 CA LYS B 554 60.737 27.361 18.783 1.00 0.00 C ATOM 1729 C LYS B 554 59.920 27.293 17.477 1.00 0.00 C ATOM 1730 O LYS B 554 60.165 26.422 16.666 1.00 0.00 O ATOM 1731 CB LYS B 554 62.198 27.663 18.436 1.00 0.00 C ATOM 1732 CG LYS B 554 63.035 27.802 19.713 1.00 0.00 C ATOM 1733 CD LYS B 554 62.573 29.026 20.525 1.00 0.00 C ATOM 1734 CE LYS B 554 63.718 29.528 21.411 1.00 0.00 C ATOM 1735 NZ LYS B 554 63.205 30.576 22.338 1.00 0.00 N ATOM 0 H LYS B 554 60.663 25.239 18.781 1.00 0.00 H new ATOM 0 HA LYS B 554 60.369 28.140 19.451 1.00 0.00 H new ATOM 0 HB2 LYS B 554 62.603 26.865 17.814 1.00 0.00 H new ATOM 0 HB3 LYS B 554 62.257 28.582 17.853 1.00 0.00 H new ATOM 0 HG2 LYS B 554 62.941 26.900 20.317 1.00 0.00 H new ATOM 0 HG3 LYS B 554 64.089 27.905 19.455 1.00 0.00 H new ATOM 0 HD2 LYS B 554 62.249 29.819 19.851 1.00 0.00 H new ATOM 0 HD3 LYS B 554 61.714 28.761 21.142 1.00 0.00 H new ATOM 0 HE2 LYS B 554 64.142 28.700 21.979 1.00 0.00 H new ATOM 0 HE3 LYS B 554 64.519 29.934 20.793 1.00 0.00 H new ATOM 0 HZ1 LYS B 554 63.981 30.917 22.940 1.00 0.00 H new ATOM 0 HZ2 LYS B 554 62.820 31.369 21.786 1.00 0.00 H new ATOM 0 HZ3 LYS B 554 62.455 30.174 22.936 1.00 0.00 H new ATOM 1749 N PRO B 555 58.945 28.150 17.251 1.00 0.00 N ATOM 1750 CA PRO B 555 58.133 28.061 16.004 1.00 0.00 C ATOM 1751 C PRO B 555 58.949 27.828 14.734 1.00 0.00 C ATOM 1752 O PRO B 555 59.952 28.465 14.479 1.00 0.00 O ATOM 1753 CB PRO B 555 57.438 29.420 15.973 1.00 0.00 C ATOM 1754 CG PRO B 555 57.436 29.960 17.412 1.00 0.00 C ATOM 1755 CD PRO B 555 58.559 29.241 18.188 1.00 0.00 C ATOM 0 HA PRO B 555 57.461 27.203 16.020 1.00 0.00 H new ATOM 0 HB2 PRO B 555 57.961 30.105 15.305 1.00 0.00 H new ATOM 0 HB3 PRO B 555 56.420 29.323 15.597 1.00 0.00 H new ATOM 0 HG2 PRO B 555 57.599 31.038 17.416 1.00 0.00 H new ATOM 0 HG3 PRO B 555 56.470 29.782 17.885 1.00 0.00 H new ATOM 0 HD2 PRO B 555 59.395 29.907 18.403 1.00 0.00 H new ATOM 0 HD3 PRO B 555 58.208 28.851 19.143 1.00 0.00 H new ATOM 1763 N ILE B 556 58.485 26.912 13.937 1.00 0.00 N ATOM 1764 CA ILE B 556 59.157 26.586 12.656 1.00 0.00 C ATOM 1765 C ILE B 556 58.527 27.455 11.565 1.00 0.00 C ATOM 1766 O ILE B 556 57.460 27.157 11.065 1.00 0.00 O ATOM 1767 CB ILE B 556 58.908 25.107 12.353 1.00 0.00 C ATOM 1768 CG1 ILE B 556 59.654 24.222 13.381 1.00 0.00 C ATOM 1769 CG2 ILE B 556 59.407 24.784 10.949 1.00 0.00 C ATOM 1770 CD1 ILE B 556 58.969 22.844 13.509 1.00 0.00 C ATOM 0 H ILE B 556 57.647 26.363 14.126 1.00 0.00 H new ATOM 0 HA ILE B 556 60.230 26.773 12.705 1.00 0.00 H new ATOM 0 HB ILE B 556 57.839 24.906 12.418 1.00 0.00 H new ATOM 0 HG12 ILE B 556 60.691 24.091 13.072 1.00 0.00 H new ATOM 0 HG13 ILE B 556 59.671 24.718 14.352 1.00 0.00 H new ATOM 0 HG21 ILE B 556 59.230 23.730 10.733 1.00 0.00 H new ATOM 0 HG22 ILE B 556 58.874 25.398 10.223 1.00 0.00 H new ATOM 0 HG23 ILE B 556 60.475 24.993 10.885 1.00 0.00 H new ATOM 0 HD11 ILE B 556 59.508 22.236 14.236 1.00 0.00 H new ATOM 0 HD12 ILE B 556 57.939 22.979 13.840 1.00 0.00 H new ATOM 0 HD13 ILE B 556 58.976 22.343 12.541 1.00 0.00 H new ATOM 1782 N THR B 557 59.158 28.548 11.219 1.00 0.00 N ATOM 1783 CA THR B 557 58.575 29.467 10.190 1.00 0.00 C ATOM 1784 C THR B 557 59.216 29.240 8.821 1.00 0.00 C ATOM 1785 O THR B 557 60.211 29.842 8.470 1.00 0.00 O ATOM 1786 CB THR B 557 58.804 30.905 10.646 1.00 0.00 C ATOM 1787 OG1 THR B 557 60.135 31.297 10.337 1.00 0.00 O ATOM 1788 CG2 THR B 557 58.578 30.979 12.157 1.00 0.00 C ATOM 0 H THR B 557 60.054 28.846 11.605 1.00 0.00 H new ATOM 0 HA THR B 557 57.508 29.266 10.090 1.00 0.00 H new ATOM 0 HB THR B 557 58.112 31.575 10.135 1.00 0.00 H new ATOM 0 HG1 THR B 557 60.267 31.271 9.366 1.00 0.00 H new ATOM 0 HG21 THR B 557 58.738 32.001 12.499 1.00 0.00 H new ATOM 0 HG22 THR B 557 57.557 30.675 12.388 1.00 0.00 H new ATOM 0 HG23 THR B 557 59.278 30.314 12.663 1.00 0.00 H new ATOM 1796 N GLY B 558 58.630 28.374 8.051 1.00 0.00 N ATOM 1797 CA GLY B 558 59.148 28.069 6.690 1.00 0.00 C ATOM 1798 C GLY B 558 58.645 26.683 6.310 1.00 0.00 C ATOM 1799 O GLY B 558 57.525 26.513 5.871 1.00 0.00 O ATOM 0 H GLY B 558 57.794 27.851 8.312 1.00 0.00 H new ATOM 0 HA2 GLY B 558 58.802 28.813 5.972 1.00 0.00 H new ATOM 0 HA3 GLY B 558 60.238 28.098 6.679 1.00 0.00 H new ATOM 1803 N ARG B 559 59.458 25.690 6.520 1.00 0.00 N ATOM 1804 CA ARG B 559 59.059 24.286 6.232 1.00 0.00 C ATOM 1805 C ARG B 559 59.001 23.562 7.567 1.00 0.00 C ATOM 1806 O ARG B 559 59.711 23.910 8.490 1.00 0.00 O ATOM 1807 CB ARG B 559 60.118 23.636 5.328 1.00 0.00 C ATOM 1808 CG ARG B 559 59.804 23.941 3.855 1.00 0.00 C ATOM 1809 CD ARG B 559 58.801 22.916 3.301 1.00 0.00 C ATOM 1810 NE ARG B 559 58.124 23.470 2.079 1.00 0.00 N ATOM 1811 CZ ARG B 559 57.418 24.570 2.119 1.00 0.00 C ATOM 1812 NH1 ARG B 559 56.940 25.072 1.014 1.00 0.00 N ATOM 1813 NH2 ARG B 559 57.151 25.145 3.260 1.00 0.00 N ATOM 0 H ARG B 559 60.404 25.794 6.887 1.00 0.00 H new ATOM 0 HA ARG B 559 58.095 24.240 5.725 1.00 0.00 H new ATOM 0 HB2 ARG B 559 61.108 24.013 5.584 1.00 0.00 H new ATOM 0 HB3 ARG B 559 60.135 22.558 5.490 1.00 0.00 H new ATOM 0 HG2 ARG B 559 59.394 24.947 3.764 1.00 0.00 H new ATOM 0 HG3 ARG B 559 60.722 23.916 3.268 1.00 0.00 H new ATOM 0 HD2 ARG B 559 59.316 21.988 3.053 1.00 0.00 H new ATOM 0 HD3 ARG B 559 58.058 22.674 4.061 1.00 0.00 H new ATOM 0 HE ARG B 559 58.218 22.974 1.193 1.00 0.00 H new ATOM 0 HH11 ARG B 559 57.117 24.607 0.124 1.00 0.00 H new ATOM 0 HH12 ARG B 559 56.389 25.930 1.040 1.00 0.00 H new ATOM 0 HH21 ARG B 559 57.494 24.737 4.130 1.00 0.00 H new ATOM 0 HH22 ARG B 559 56.600 26.003 3.282 1.00 0.00 H new ATOM 1827 N CYS B 560 58.167 22.568 7.700 1.00 0.00 N ATOM 1828 CA CYS B 560 58.095 21.851 9.008 1.00 0.00 C ATOM 1829 C CYS B 560 57.840 20.370 8.823 1.00 0.00 C ATOM 1830 O CYS B 560 56.894 19.949 8.188 1.00 0.00 O ATOM 1831 CB CYS B 560 56.989 22.445 9.878 1.00 0.00 C ATOM 1832 SG CYS B 560 55.403 22.313 9.016 1.00 0.00 S ATOM 0 H CYS B 560 57.540 22.224 6.973 1.00 0.00 H new ATOM 0 HA CYS B 560 59.061 21.976 9.498 1.00 0.00 H new ATOM 0 HB2 CYS B 560 56.941 21.920 10.832 1.00 0.00 H new ATOM 0 HB3 CYS B 560 57.208 23.489 10.100 1.00 0.00 H new ATOM 0 HG CYS B 560 55.421 21.278 8.230 1.00 0.00 H new ATOM 1838 N ILE B 561 58.685 19.582 9.416 1.00 0.00 N ATOM 1839 CA ILE B 561 58.535 18.116 9.346 1.00 0.00 C ATOM 1840 C ILE B 561 57.706 17.672 10.529 1.00 0.00 C ATOM 1841 O ILE B 561 57.773 18.235 11.601 1.00 0.00 O ATOM 1842 CB ILE B 561 59.914 17.478 9.422 1.00 0.00 C ATOM 1843 CG1 ILE B 561 60.683 17.925 8.193 1.00 0.00 C ATOM 1844 CG2 ILE B 561 59.817 15.946 9.434 1.00 0.00 C ATOM 1845 CD1 ILE B 561 62.039 17.229 8.148 1.00 0.00 C ATOM 0 H ILE B 561 59.488 19.903 9.956 1.00 0.00 H new ATOM 0 HA ILE B 561 58.050 17.820 8.416 1.00 0.00 H new ATOM 0 HB ILE B 561 60.413 17.784 10.341 1.00 0.00 H new ATOM 0 HG12 ILE B 561 60.115 17.692 7.293 1.00 0.00 H new ATOM 0 HG13 ILE B 561 60.820 19.006 8.212 1.00 0.00 H new ATOM 0 HG21 ILE B 561 60.818 15.518 9.489 1.00 0.00 H new ATOM 0 HG22 ILE B 561 59.237 15.625 10.300 1.00 0.00 H new ATOM 0 HG23 ILE B 561 59.326 15.605 8.522 1.00 0.00 H new ATOM 0 HD11 ILE B 561 62.586 17.555 7.263 1.00 0.00 H new ATOM 0 HD12 ILE B 561 62.609 17.485 9.041 1.00 0.00 H new ATOM 0 HD13 ILE B 561 61.893 16.150 8.107 1.00 0.00 H new ATOM 1857 N THR B 562 56.935 16.655 10.327 1.00 0.00 N ATOM 1858 CA THR B 562 56.074 16.110 11.415 1.00 0.00 C ATOM 1859 C THR B 562 56.446 14.662 11.656 1.00 0.00 C ATOM 1860 O THR B 562 56.833 13.942 10.757 1.00 0.00 O ATOM 1861 CB THR B 562 54.596 16.189 11.041 1.00 0.00 C ATOM 1862 OG1 THR B 562 54.300 17.485 10.537 1.00 0.00 O ATOM 1863 CG2 THR B 562 53.750 15.911 12.288 1.00 0.00 C ATOM 0 H THR B 562 56.858 16.162 9.437 1.00 0.00 H new ATOM 0 HA THR B 562 56.234 16.704 12.315 1.00 0.00 H new ATOM 0 HB THR B 562 54.369 15.449 10.273 1.00 0.00 H new ATOM 0 HG1 THR B 562 53.363 17.519 10.251 1.00 0.00 H new ATOM 0 HG21 THR B 562 52.692 15.965 12.030 1.00 0.00 H new ATOM 0 HG22 THR B 562 53.980 14.916 12.669 1.00 0.00 H new ATOM 0 HG23 THR B 562 53.975 16.654 13.053 1.00 0.00 H new ATOM 1871 N ALA B 563 56.345 14.247 12.877 1.00 0.00 N ATOM 1872 CA ALA B 563 56.696 12.860 13.259 1.00 0.00 C ATOM 1873 C ALA B 563 55.495 12.216 13.935 1.00 0.00 C ATOM 1874 O ALA B 563 54.391 12.239 13.427 1.00 0.00 O ATOM 1875 CB ALA B 563 57.877 12.913 14.217 1.00 0.00 C ATOM 0 H ALA B 563 56.024 14.828 13.651 1.00 0.00 H new ATOM 0 HA ALA B 563 56.965 12.271 12.382 1.00 0.00 H new ATOM 0 HB1 ALA B 563 58.152 11.900 14.511 1.00 0.00 H new ATOM 0 HB2 ALA B 563 58.724 13.391 13.724 1.00 0.00 H new ATOM 0 HB3 ALA B 563 57.602 13.486 15.102 1.00 0.00 H new ATOM 1881 N MET B 564 55.703 11.646 15.081 1.00 0.00 N ATOM 1882 CA MET B 564 54.594 10.997 15.830 1.00 0.00 C ATOM 1883 C MET B 564 53.590 12.064 16.263 1.00 0.00 C ATOM 1884 O MET B 564 52.912 11.917 17.256 1.00 0.00 O ATOM 1885 CB MET B 564 55.181 10.327 17.069 1.00 0.00 C ATOM 1886 CG MET B 564 56.558 9.750 16.734 1.00 0.00 C ATOM 1887 SD MET B 564 57.032 8.541 17.996 1.00 0.00 S ATOM 1888 CE MET B 564 56.428 7.063 17.142 1.00 0.00 C ATOM 0 H MET B 564 56.612 11.600 15.542 1.00 0.00 H new ATOM 0 HA MET B 564 54.093 10.260 15.203 1.00 0.00 H new ATOM 0 HB2 MET B 564 55.266 11.050 17.881 1.00 0.00 H new ATOM 0 HB3 MET B 564 54.518 9.535 17.416 1.00 0.00 H new ATOM 0 HG2 MET B 564 56.536 9.277 15.752 1.00 0.00 H new ATOM 0 HG3 MET B 564 57.297 10.550 16.686 1.00 0.00 H new ATOM 0 HE1 MET B 564 56.622 6.183 17.756 1.00 0.00 H new ATOM 0 HE2 MET B 564 55.356 7.155 16.969 1.00 0.00 H new ATOM 0 HE3 MET B 564 56.942 6.960 16.186 1.00 0.00 H new ATOM 1898 N ALA B 565 53.561 13.133 15.520 1.00 0.00 N ATOM 1899 CA ALA B 565 52.688 14.319 15.781 1.00 0.00 C ATOM 1900 C ALA B 565 53.604 15.439 16.239 1.00 0.00 C ATOM 1901 O ALA B 565 53.207 16.579 16.369 1.00 0.00 O ATOM 1902 CB ALA B 565 51.624 14.065 16.853 1.00 0.00 C ATOM 0 H ALA B 565 54.144 13.240 14.690 1.00 0.00 H new ATOM 0 HA ALA B 565 52.144 14.563 14.868 1.00 0.00 H new ATOM 0 HB1 ALA B 565 51.026 14.966 16.993 1.00 0.00 H new ATOM 0 HB2 ALA B 565 50.978 13.246 16.537 1.00 0.00 H new ATOM 0 HB3 ALA B 565 52.110 13.803 17.793 1.00 0.00 H new ATOM 1908 N LYS B 566 54.847 15.110 16.471 1.00 0.00 N ATOM 1909 CA LYS B 566 55.823 16.135 16.907 1.00 0.00 C ATOM 1910 C LYS B 566 56.328 16.875 15.675 1.00 0.00 C ATOM 1911 O LYS B 566 56.424 16.310 14.607 1.00 0.00 O ATOM 1912 CB LYS B 566 57.000 15.446 17.597 1.00 0.00 C ATOM 1913 CG LYS B 566 56.491 14.519 18.712 1.00 0.00 C ATOM 1914 CD LYS B 566 55.893 15.345 19.885 1.00 0.00 C ATOM 1915 CE LYS B 566 54.356 15.321 19.834 1.00 0.00 C ATOM 1916 NZ LYS B 566 53.861 14.072 20.478 1.00 0.00 N ATOM 0 H LYS B 566 55.225 14.167 16.375 1.00 0.00 H new ATOM 0 HA LYS B 566 55.353 16.833 17.599 1.00 0.00 H new ATOM 0 HB2 LYS B 566 57.572 14.871 16.869 1.00 0.00 H new ATOM 0 HB3 LYS B 566 57.675 16.193 18.015 1.00 0.00 H new ATOM 0 HG2 LYS B 566 55.734 13.844 18.313 1.00 0.00 H new ATOM 0 HG3 LYS B 566 57.309 13.899 19.078 1.00 0.00 H new ATOM 0 HD2 LYS B 566 56.237 14.939 20.836 1.00 0.00 H new ATOM 0 HD3 LYS B 566 56.248 16.374 19.831 1.00 0.00 H new ATOM 0 HE2 LYS B 566 53.950 16.193 20.346 1.00 0.00 H new ATOM 0 HE3 LYS B 566 54.014 15.371 18.800 1.00 0.00 H new ATOM 0 HZ1 LYS B 566 52.822 14.053 20.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 566 54.239 13.247 19.971 1.00 0.00 H new ATOM 0 HZ3 LYS B 566 54.177 14.044 21.469 1.00 0.00 H new ATOM 1930 N LYS B 567 56.662 18.129 15.811 1.00 0.00 N ATOM 1931 CA LYS B 567 57.171 18.902 14.642 1.00 0.00 C ATOM 1932 C LYS B 567 58.692 18.871 14.689 1.00 0.00 C ATOM 1933 O LYS B 567 59.271 18.347 15.621 1.00 0.00 O ATOM 1934 CB LYS B 567 56.653 20.340 14.713 1.00 0.00 C ATOM 1935 CG LYS B 567 55.221 20.357 15.278 1.00 0.00 C ATOM 1936 CD LYS B 567 54.275 19.505 14.410 1.00 0.00 C ATOM 1937 CE LYS B 567 54.182 20.103 13.003 1.00 0.00 C ATOM 1938 NZ LYS B 567 52.952 19.597 12.331 1.00 0.00 N ATOM 0 H LYS B 567 56.604 18.653 16.684 1.00 0.00 H new ATOM 0 HA LYS B 567 56.824 18.466 13.705 1.00 0.00 H new ATOM 0 HB2 LYS B 567 57.309 20.941 15.344 1.00 0.00 H new ATOM 0 HB3 LYS B 567 56.666 20.789 13.720 1.00 0.00 H new ATOM 0 HG2 LYS B 567 55.225 19.976 16.299 1.00 0.00 H new ATOM 0 HG3 LYS B 567 54.855 21.383 15.321 1.00 0.00 H new ATOM 0 HD2 LYS B 567 54.641 18.480 14.356 1.00 0.00 H new ATOM 0 HD3 LYS B 567 53.285 19.466 14.865 1.00 0.00 H new ATOM 0 HE2 LYS B 567 54.158 21.191 13.059 1.00 0.00 H new ATOM 0 HE3 LYS B 567 55.064 19.834 12.422 1.00 0.00 H new ATOM 0 HZ1 LYS B 567 52.491 20.376 11.819 1.00 0.00 H new ATOM 0 HZ2 LYS B 567 53.208 18.845 11.660 1.00 0.00 H new ATOM 0 HZ3 LYS B 567 52.298 19.217 13.045 1.00 0.00 H new ATOM 1952 N PHE B 568 59.363 19.395 13.704 1.00 0.00 N ATOM 1953 CA PHE B 568 60.849 19.332 13.755 1.00 0.00 C ATOM 1954 C PHE B 568 61.449 20.356 12.804 1.00 0.00 C ATOM 1955 O PHE B 568 61.027 20.495 11.673 1.00 0.00 O ATOM 1956 CB PHE B 568 61.302 17.905 13.339 1.00 0.00 C ATOM 1957 CG PHE B 568 62.027 17.217 14.484 1.00 0.00 C ATOM 1958 CD1 PHE B 568 61.482 16.070 15.078 1.00 0.00 C ATOM 1959 CD2 PHE B 568 63.243 17.733 14.948 1.00 0.00 C ATOM 1960 CE1 PHE B 568 62.154 15.442 16.133 1.00 0.00 C ATOM 1961 CE2 PHE B 568 63.914 17.104 16.004 1.00 0.00 C ATOM 1962 CZ PHE B 568 63.370 15.958 16.596 1.00 0.00 C ATOM 0 H PHE B 568 58.961 19.853 12.886 1.00 0.00 H new ATOM 0 HA PHE B 568 61.190 19.553 14.766 1.00 0.00 H new ATOM 0 HB2 PHE B 568 60.435 17.314 13.044 1.00 0.00 H new ATOM 0 HB3 PHE B 568 61.958 17.965 12.470 1.00 0.00 H new ATOM 0 HD1 PHE B 568 60.544 15.671 14.722 1.00 0.00 H new ATOM 0 HD2 PHE B 568 63.664 18.617 14.491 1.00 0.00 H new ATOM 0 HE1 PHE B 568 61.734 14.558 16.590 1.00 0.00 H new ATOM 0 HE2 PHE B 568 64.852 17.503 16.362 1.00 0.00 H new ATOM 0 HZ PHE B 568 63.888 15.472 17.410 1.00 0.00 H new ATOM 1972 N HIS B 569 62.470 21.035 13.235 1.00 0.00 N ATOM 1973 CA HIS B 569 63.128 21.997 12.326 1.00 0.00 C ATOM 1974 C HIS B 569 63.569 21.170 11.105 1.00 0.00 C ATOM 1975 O HIS B 569 64.355 20.258 11.260 1.00 0.00 O ATOM 1976 CB HIS B 569 64.368 22.586 13.010 1.00 0.00 C ATOM 1977 CG HIS B 569 64.014 23.805 13.818 1.00 0.00 C ATOM 1978 ND1 HIS B 569 64.221 23.851 15.184 1.00 0.00 N ATOM 1979 CD2 HIS B 569 63.508 25.031 13.470 1.00 0.00 C ATOM 1980 CE1 HIS B 569 63.853 25.071 15.610 1.00 0.00 C ATOM 1981 NE2 HIS B 569 63.407 25.832 14.605 1.00 0.00 N ATOM 0 H HIS B 569 62.872 20.965 14.170 1.00 0.00 H new ATOM 0 HA HIS B 569 62.465 22.818 12.053 1.00 0.00 H new ATOM 0 HB2 HIS B 569 64.821 21.835 13.658 1.00 0.00 H new ATOM 0 HB3 HIS B 569 65.112 22.848 12.258 1.00 0.00 H new ATOM 0 HD1 HIS B 569 64.587 23.096 15.764 1.00 0.00 H new ATOM 0 HD2 HIS B 569 63.231 25.330 12.470 1.00 0.00 H new ATOM 0 HE1 HIS B 569 63.910 25.397 16.638 1.00 0.00 H new ATOM 1988 N PRO B 570 63.067 21.427 9.919 1.00 0.00 N ATOM 1989 CA PRO B 570 63.467 20.613 8.740 1.00 0.00 C ATOM 1990 C PRO B 570 64.983 20.354 8.682 1.00 0.00 C ATOM 1991 O PRO B 570 65.454 19.572 7.879 1.00 0.00 O ATOM 1992 CB PRO B 570 62.971 21.487 7.585 1.00 0.00 C ATOM 1993 CG PRO B 570 61.834 22.351 8.146 1.00 0.00 C ATOM 1994 CD PRO B 570 62.084 22.512 9.649 1.00 0.00 C ATOM 0 HA PRO B 570 63.051 19.605 8.739 1.00 0.00 H new ATOM 0 HB2 PRO B 570 63.777 22.111 7.197 1.00 0.00 H new ATOM 0 HB3 PRO B 570 62.618 20.872 6.757 1.00 0.00 H new ATOM 0 HG2 PRO B 570 61.811 23.323 7.654 1.00 0.00 H new ATOM 0 HG3 PRO B 570 60.868 21.880 7.965 1.00 0.00 H new ATOM 0 HD2 PRO B 570 62.485 23.496 9.892 1.00 0.00 H new ATOM 0 HD3 PRO B 570 61.170 22.388 10.230 1.00 0.00 H new ATOM 2002 N GLU B 571 65.747 20.991 9.542 1.00 0.00 N ATOM 2003 CA GLU B 571 67.226 20.774 9.561 1.00 0.00 C ATOM 2004 C GLU B 571 67.608 19.931 10.787 1.00 0.00 C ATOM 2005 O GLU B 571 68.261 18.918 10.693 1.00 0.00 O ATOM 2006 CB GLU B 571 67.920 22.137 9.660 1.00 0.00 C ATOM 2007 CG GLU B 571 67.122 23.163 8.863 1.00 0.00 C ATOM 2008 CD GLU B 571 67.968 24.419 8.644 1.00 0.00 C ATOM 2009 OE1 GLU B 571 68.916 24.608 9.389 1.00 0.00 O ATOM 2010 OE2 GLU B 571 67.655 25.169 7.735 1.00 0.00 O ATOM 0 H GLU B 571 65.403 21.656 10.235 1.00 0.00 H new ATOM 0 HA GLU B 571 67.533 20.255 8.653 1.00 0.00 H new ATOM 0 HB2 GLU B 571 67.994 22.446 10.703 1.00 0.00 H new ATOM 0 HB3 GLU B 571 68.937 22.070 9.274 1.00 0.00 H new ATOM 0 HG2 GLU B 571 66.825 22.741 7.903 1.00 0.00 H new ATOM 0 HG3 GLU B 571 66.206 23.418 9.395 1.00 0.00 H new ATOM 2017 N HIS B 572 67.202 20.340 11.943 1.00 0.00 N ATOM 2018 CA HIS B 572 67.563 19.550 13.160 1.00 0.00 C ATOM 2019 C HIS B 572 67.097 18.106 12.987 1.00 0.00 C ATOM 2020 O HIS B 572 67.381 17.253 13.804 1.00 0.00 O ATOM 2021 CB HIS B 572 66.927 20.176 14.406 1.00 0.00 C ATOM 2022 CG HIS B 572 67.251 21.647 14.404 1.00 0.00 C ATOM 2023 ND1 HIS B 572 66.527 22.612 15.113 1.00 0.00 N ATOM 2024 CD2 HIS B 572 68.248 22.338 13.757 1.00 0.00 C ATOM 2025 CE1 HIS B 572 67.107 23.803 14.864 1.00 0.00 C ATOM 2026 NE2 HIS B 572 68.153 23.691 14.048 1.00 0.00 N ATOM 0 H HIS B 572 66.642 21.176 12.109 1.00 0.00 H new ATOM 0 HA HIS B 572 68.645 19.560 13.289 1.00 0.00 H new ATOM 0 HB2 HIS B 572 65.848 20.023 14.401 1.00 0.00 H new ATOM 0 HB3 HIS B 572 67.311 19.702 15.309 1.00 0.00 H new ATOM 0 HD2 HIS B 572 68.995 21.893 13.117 1.00 0.00 H new ATOM 0 HE1 HIS B 572 66.763 24.739 15.278 1.00 0.00 H new ATOM 0 HE2 HIS B 572 68.756 24.440 13.709 1.00 0.00 H new ATOM 2033 N PHE B 573 66.402 17.823 11.913 1.00 0.00 N ATOM 2034 CA PHE B 573 65.930 16.435 11.647 1.00 0.00 C ATOM 2035 C PHE B 573 66.421 16.027 10.259 1.00 0.00 C ATOM 2036 O PHE B 573 65.659 15.608 9.411 1.00 0.00 O ATOM 2037 CB PHE B 573 64.407 16.407 11.687 1.00 0.00 C ATOM 2038 CG PHE B 573 63.922 14.979 11.770 1.00 0.00 C ATOM 2039 CD1 PHE B 573 63.414 14.342 10.631 1.00 0.00 C ATOM 2040 CD2 PHE B 573 63.980 14.291 12.989 1.00 0.00 C ATOM 2041 CE1 PHE B 573 62.965 13.019 10.711 1.00 0.00 C ATOM 2042 CE2 PHE B 573 63.530 12.968 13.068 1.00 0.00 C ATOM 2043 CZ PHE B 573 63.022 12.332 11.929 1.00 0.00 C ATOM 0 H PHE B 573 66.140 18.506 11.202 1.00 0.00 H new ATOM 0 HA PHE B 573 66.316 15.745 12.398 1.00 0.00 H new ATOM 0 HB2 PHE B 573 64.046 16.973 12.546 1.00 0.00 H new ATOM 0 HB3 PHE B 573 64.002 16.887 10.796 1.00 0.00 H new ATOM 0 HD1 PHE B 573 63.369 14.872 9.691 1.00 0.00 H new ATOM 0 HD2 PHE B 573 64.372 14.781 13.868 1.00 0.00 H new ATOM 0 HE1 PHE B 573 62.574 12.528 9.832 1.00 0.00 H new ATOM 0 HE2 PHE B 573 63.575 12.438 14.008 1.00 0.00 H new ATOM 0 HZ PHE B 573 62.674 11.311 11.990 1.00 0.00 H new ATOM 2053 N VAL B 574 67.698 16.160 10.028 1.00 0.00 N ATOM 2054 CA VAL B 574 68.275 15.801 8.704 1.00 0.00 C ATOM 2055 C VAL B 574 68.764 14.344 8.743 1.00 0.00 C ATOM 2056 O VAL B 574 68.704 13.682 9.760 1.00 0.00 O ATOM 2057 CB VAL B 574 69.488 16.687 8.384 1.00 0.00 C ATOM 2058 CG1 VAL B 574 69.062 18.139 8.047 1.00 0.00 C ATOM 2059 CG2 VAL B 574 70.442 16.669 9.583 1.00 0.00 C ATOM 0 H VAL B 574 68.373 16.506 10.709 1.00 0.00 H new ATOM 0 HA VAL B 574 67.503 15.940 7.947 1.00 0.00 H new ATOM 0 HB VAL B 574 69.992 16.290 7.503 1.00 0.00 H new ATOM 0 HG11 VAL B 574 69.947 18.736 7.826 1.00 0.00 H new ATOM 0 HG12 VAL B 574 68.403 18.133 7.179 1.00 0.00 H new ATOM 0 HG13 VAL B 574 68.536 18.571 8.899 1.00 0.00 H new ATOM 0 HG21 VAL B 574 71.308 17.295 9.368 1.00 0.00 H new ATOM 0 HG22 VAL B 574 69.927 17.052 10.464 1.00 0.00 H new ATOM 0 HG23 VAL B 574 70.771 15.647 9.771 1.00 0.00 H new ATOM 2069 N CYS B 575 69.256 13.854 7.638 1.00 0.00 N ATOM 2070 CA CYS B 575 69.766 12.448 7.585 1.00 0.00 C ATOM 2071 C CYS B 575 71.166 12.428 8.175 1.00 0.00 C ATOM 2072 O CYS B 575 71.933 13.340 7.943 1.00 0.00 O ATOM 2073 CB CYS B 575 69.789 11.983 6.114 1.00 0.00 C ATOM 2074 SG CYS B 575 71.373 11.222 5.672 1.00 0.00 S ATOM 0 H CYS B 575 69.328 14.369 6.761 1.00 0.00 H new ATOM 0 HA CYS B 575 69.125 11.775 8.155 1.00 0.00 H new ATOM 0 HB2 CYS B 575 68.983 11.268 5.946 1.00 0.00 H new ATOM 0 HB3 CYS B 575 69.600 12.835 5.461 1.00 0.00 H new ATOM 0 HG CYS B 575 71.931 11.904 4.716 1.00 0.00 H new ATOM 2079 N ALA B 576 71.540 11.408 8.920 1.00 0.00 N ATOM 2080 CA ALA B 576 72.937 11.440 9.458 1.00 0.00 C ATOM 2081 C ALA B 576 73.879 10.665 8.518 1.00 0.00 C ATOM 2082 O ALA B 576 74.388 9.613 8.838 1.00 0.00 O ATOM 2083 CB ALA B 576 72.932 10.761 10.840 1.00 0.00 C ATOM 0 H ALA B 576 70.972 10.598 9.167 1.00 0.00 H new ATOM 0 HA ALA B 576 73.283 12.471 9.535 1.00 0.00 H new ATOM 0 HB1 ALA B 576 73.940 10.771 11.254 1.00 0.00 H new ATOM 0 HB2 ALA B 576 72.260 11.300 11.508 1.00 0.00 H new ATOM 0 HB3 ALA B 576 72.592 9.730 10.738 1.00 0.00 H new ATOM 2089 N PHE B 577 74.195 11.287 7.416 1.00 0.00 N ATOM 2090 CA PHE B 577 75.195 10.786 6.420 1.00 0.00 C ATOM 2091 C PHE B 577 75.681 12.068 5.771 1.00 0.00 C ATOM 2092 O PHE B 577 76.843 12.421 5.746 1.00 0.00 O ATOM 2093 CB PHE B 577 74.552 9.848 5.389 1.00 0.00 C ATOM 2094 CG PHE B 577 75.529 9.519 4.274 1.00 0.00 C ATOM 2095 CD1 PHE B 577 76.614 8.665 4.511 1.00 0.00 C ATOM 2096 CD2 PHE B 577 75.332 10.053 2.993 1.00 0.00 C ATOM 2097 CE1 PHE B 577 77.497 8.346 3.472 1.00 0.00 C ATOM 2098 CE2 PHE B 577 76.216 9.735 1.957 1.00 0.00 C ATOM 2099 CZ PHE B 577 77.298 8.881 2.196 1.00 0.00 C ATOM 0 H PHE B 577 73.775 12.177 7.149 1.00 0.00 H new ATOM 0 HA PHE B 577 75.992 10.195 6.872 1.00 0.00 H new ATOM 0 HB2 PHE B 577 74.229 8.929 5.879 1.00 0.00 H new ATOM 0 HB3 PHE B 577 73.661 10.316 4.971 1.00 0.00 H new ATOM 0 HD1 PHE B 577 76.770 8.252 5.497 1.00 0.00 H new ATOM 0 HD2 PHE B 577 74.496 10.711 2.806 1.00 0.00 H new ATOM 0 HE1 PHE B 577 78.332 7.686 3.657 1.00 0.00 H new ATOM 0 HE2 PHE B 577 76.063 10.149 0.971 1.00 0.00 H new ATOM 0 HZ PHE B 577 77.979 8.635 1.395 1.00 0.00 H new ATOM 2109 N CYS B 578 74.684 12.783 5.303 1.00 0.00 N ATOM 2110 CA CYS B 578 74.836 14.117 4.678 1.00 0.00 C ATOM 2111 C CYS B 578 73.866 15.014 5.454 1.00 0.00 C ATOM 2112 O CYS B 578 72.758 15.269 5.042 1.00 0.00 O ATOM 2113 CB CYS B 578 74.433 14.052 3.200 1.00 0.00 C ATOM 2114 SG CYS B 578 72.723 13.465 3.053 1.00 0.00 S ATOM 0 H CYS B 578 73.716 12.464 5.337 1.00 0.00 H new ATOM 0 HA CYS B 578 75.862 14.484 4.714 1.00 0.00 H new ATOM 0 HB2 CYS B 578 74.529 15.037 2.744 1.00 0.00 H new ATOM 0 HB3 CYS B 578 75.104 13.384 2.660 1.00 0.00 H new ATOM 0 HG CYS B 578 71.981 14.064 3.937 1.00 0.00 H new ATOM 2119 N LEU B 579 74.264 15.408 6.622 1.00 0.00 N ATOM 2120 CA LEU B 579 73.392 16.212 7.524 1.00 0.00 C ATOM 2121 C LEU B 579 72.813 17.474 6.868 1.00 0.00 C ATOM 2122 O LEU B 579 72.374 18.360 7.576 1.00 0.00 O ATOM 2123 CB LEU B 579 74.214 16.612 8.760 1.00 0.00 C ATOM 2124 CG LEU B 579 74.956 15.367 9.329 1.00 0.00 C ATOM 2125 CD1 LEU B 579 76.422 15.326 8.839 1.00 0.00 C ATOM 2126 CD2 LEU B 579 74.934 15.404 10.868 1.00 0.00 C ATOM 0 H LEU B 579 75.186 15.202 7.006 1.00 0.00 H new ATOM 0 HA LEU B 579 72.538 15.588 7.787 1.00 0.00 H new ATOM 0 HB2 LEU B 579 74.935 17.385 8.494 1.00 0.00 H new ATOM 0 HB3 LEU B 579 73.559 17.035 9.522 1.00 0.00 H new ATOM 0 HG LEU B 579 74.443 14.473 8.973 1.00 0.00 H new ATOM 0 HD11 LEU B 579 76.919 14.447 9.250 1.00 0.00 H new ATOM 0 HD12 LEU B 579 76.440 15.277 7.750 1.00 0.00 H new ATOM 0 HD13 LEU B 579 76.942 16.225 9.171 1.00 0.00 H new ATOM 0 HD21 LEU B 579 75.455 14.530 11.260 1.00 0.00 H new ATOM 0 HD22 LEU B 579 75.430 16.309 11.217 1.00 0.00 H new ATOM 0 HD23 LEU B 579 73.902 15.398 11.217 1.00 0.00 H new ATOM 2138 N LYS B 580 72.804 17.624 5.557 1.00 0.00 N ATOM 2139 CA LYS B 580 72.241 18.910 5.018 1.00 0.00 C ATOM 2140 C LYS B 580 70.704 18.865 4.887 1.00 0.00 C ATOM 2141 O LYS B 580 70.048 19.847 5.173 1.00 0.00 O ATOM 2142 CB LYS B 580 72.903 19.223 3.642 1.00 0.00 C ATOM 2143 CG LYS B 580 72.125 18.639 2.437 1.00 0.00 C ATOM 2144 CD LYS B 580 72.228 17.112 2.434 1.00 0.00 C ATOM 2145 CE LYS B 580 71.098 16.519 1.591 1.00 0.00 C ATOM 2146 NZ LYS B 580 70.958 17.297 0.328 1.00 0.00 N ATOM 0 H LYS B 580 73.143 16.951 4.870 1.00 0.00 H new ATOM 0 HA LYS B 580 72.470 19.706 5.727 1.00 0.00 H new ATOM 0 HB2 LYS B 580 72.983 20.304 3.524 1.00 0.00 H new ATOM 0 HB3 LYS B 580 73.918 18.825 3.637 1.00 0.00 H new ATOM 0 HG2 LYS B 580 71.079 18.940 2.489 1.00 0.00 H new ATOM 0 HG3 LYS B 580 72.526 19.040 1.506 1.00 0.00 H new ATOM 0 HD2 LYS B 580 73.194 16.804 2.033 1.00 0.00 H new ATOM 0 HD3 LYS B 580 72.171 16.732 3.454 1.00 0.00 H new ATOM 0 HE2 LYS B 580 71.309 15.474 1.365 1.00 0.00 H new ATOM 0 HE3 LYS B 580 70.163 16.542 2.150 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 70.483 16.712 -0.389 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 70.393 18.151 0.507 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 71.900 17.571 -0.017 1.00 0.00 H new ATOM 2160 N GLN B 581 70.091 17.764 4.500 1.00 0.00 N ATOM 2161 CA GLN B 581 68.590 17.782 4.432 1.00 0.00 C ATOM 2162 C GLN B 581 67.953 16.386 4.416 1.00 0.00 C ATOM 2163 O GLN B 581 68.433 15.470 3.779 1.00 0.00 O ATOM 2164 CB GLN B 581 68.128 18.581 3.217 1.00 0.00 C ATOM 2165 CG GLN B 581 66.619 18.853 3.306 1.00 0.00 C ATOM 2166 CD GLN B 581 66.338 19.928 4.357 1.00 0.00 C ATOM 2167 OE1 GLN B 581 66.086 21.068 4.021 1.00 0.00 O ATOM 2168 NE2 GLN B 581 66.367 19.616 5.622 1.00 0.00 N ATOM 0 H GLN B 581 70.543 16.888 4.238 1.00 0.00 H new ATOM 0 HA GLN B 581 68.251 18.262 5.350 1.00 0.00 H new ATOM 0 HB2 GLN B 581 68.673 19.524 3.164 1.00 0.00 H new ATOM 0 HB3 GLN B 581 68.353 18.031 2.303 1.00 0.00 H new ATOM 0 HG2 GLN B 581 66.242 19.176 2.335 1.00 0.00 H new ATOM 0 HG3 GLN B 581 66.091 17.935 3.564 1.00 0.00 H new ATOM 0 HE21 GLN B 581 66.578 18.660 5.907 1.00 0.00 H new ATOM 0 HE22 GLN B 581 66.178 20.328 6.327 1.00 0.00 H new ATOM 2177 N LEU B 582 66.819 16.260 5.059 1.00 0.00 N ATOM 2178 CA LEU B 582 66.049 14.976 5.047 1.00 0.00 C ATOM 2179 C LEU B 582 64.566 15.302 4.845 1.00 0.00 C ATOM 2180 O LEU B 582 64.166 16.448 4.889 1.00 0.00 O ATOM 2181 CB LEU B 582 66.252 14.270 6.376 1.00 0.00 C ATOM 2182 CG LEU B 582 65.761 12.811 6.349 1.00 0.00 C ATOM 2183 CD1 LEU B 582 66.487 12.002 5.248 1.00 0.00 C ATOM 2184 CD2 LEU B 582 66.031 12.190 7.733 1.00 0.00 C ATOM 0 H LEU B 582 66.386 17.007 5.602 1.00 0.00 H new ATOM 0 HA LEU B 582 66.392 14.327 4.241 1.00 0.00 H new ATOM 0 HB2 LEU B 582 67.310 14.289 6.636 1.00 0.00 H new ATOM 0 HB3 LEU B 582 65.722 14.814 7.158 1.00 0.00 H new ATOM 0 HG LEU B 582 64.695 12.787 6.123 1.00 0.00 H new ATOM 0 HD11 LEU B 582 66.122 10.975 5.250 1.00 0.00 H new ATOM 0 HD12 LEU B 582 66.292 12.454 4.276 1.00 0.00 H new ATOM 0 HD13 LEU B 582 67.560 12.006 5.441 1.00 0.00 H new ATOM 0 HD21 LEU B 582 65.691 11.154 7.740 1.00 0.00 H new ATOM 0 HD22 LEU B 582 67.100 12.223 7.944 1.00 0.00 H new ATOM 0 HD23 LEU B 582 65.493 12.753 8.496 1.00 0.00 H new ATOM 2196 N ASN B 583 63.749 14.309 4.618 1.00 0.00 N ATOM 2197 CA ASN B 583 62.290 14.565 4.403 1.00 0.00 C ATOM 2198 C ASN B 583 61.483 13.364 4.901 1.00 0.00 C ATOM 2199 O ASN B 583 61.773 12.231 4.579 1.00 0.00 O ATOM 2200 CB ASN B 583 62.025 14.766 2.902 1.00 0.00 C ATOM 2201 CG ASN B 583 62.337 16.204 2.497 1.00 0.00 C ATOM 2202 OD1 ASN B 583 62.516 17.066 3.333 1.00 0.00 O ATOM 2203 ND2 ASN B 583 62.400 16.496 1.232 1.00 0.00 N ATOM 0 H ASN B 583 64.027 13.329 4.572 1.00 0.00 H new ATOM 0 HA ASN B 583 61.992 15.458 4.952 1.00 0.00 H new ATOM 0 HB2 ASN B 583 62.638 14.076 2.322 1.00 0.00 H new ATOM 0 HB3 ASN B 583 60.984 14.535 2.675 1.00 0.00 H new ATOM 0 HD21 ASN B 583 62.600 17.452 0.939 1.00 0.00 H new ATOM 0 HD22 ASN B 583 62.249 15.769 0.533 1.00 0.00 H new ATOM 2210 N LYS B 584 60.464 13.615 5.671 1.00 0.00 N ATOM 2211 CA LYS B 584 59.619 12.512 6.194 1.00 0.00 C ATOM 2212 C LYS B 584 59.181 11.607 5.046 1.00 0.00 C ATOM 2213 O LYS B 584 58.769 10.482 5.245 1.00 0.00 O ATOM 2214 CB LYS B 584 58.382 13.129 6.829 1.00 0.00 C ATOM 2215 CG LYS B 584 57.786 14.165 5.860 1.00 0.00 C ATOM 2216 CD LYS B 584 56.317 14.394 6.199 1.00 0.00 C ATOM 2217 CE LYS B 584 56.204 14.947 7.619 1.00 0.00 C ATOM 2218 NZ LYS B 584 54.831 15.482 7.836 1.00 0.00 N ATOM 0 H LYS B 584 60.178 14.550 5.963 1.00 0.00 H new ATOM 0 HA LYS B 584 60.180 11.925 6.921 1.00 0.00 H new ATOM 0 HB2 LYS B 584 57.647 12.355 7.052 1.00 0.00 H new ATOM 0 HB3 LYS B 584 58.641 13.604 7.775 1.00 0.00 H new ATOM 0 HG2 LYS B 584 58.337 15.103 5.930 1.00 0.00 H new ATOM 0 HG3 LYS B 584 57.883 13.815 4.832 1.00 0.00 H new ATOM 0 HD2 LYS B 584 55.873 15.092 5.489 1.00 0.00 H new ATOM 0 HD3 LYS B 584 55.763 13.459 6.116 1.00 0.00 H new ATOM 0 HE2 LYS B 584 56.419 14.162 8.344 1.00 0.00 H new ATOM 0 HE3 LYS B 584 56.941 15.735 7.774 1.00 0.00 H new ATOM 0 HZ1 LYS B 584 54.885 16.365 8.383 1.00 0.00 H new ATOM 0 HZ2 LYS B 584 54.383 15.671 6.917 1.00 0.00 H new ATOM 0 HZ3 LYS B 584 54.265 14.784 8.360 1.00 0.00 H new ATOM 2232 N GLY B 585 59.250 12.101 3.844 1.00 0.00 N ATOM 2233 CA GLY B 585 58.828 11.288 2.675 1.00 0.00 C ATOM 2234 C GLY B 585 59.999 10.439 2.219 1.00 0.00 C ATOM 2235 O GLY B 585 59.839 9.439 1.547 1.00 0.00 O ATOM 0 H GLY B 585 59.583 13.039 3.621 1.00 0.00 H new ATOM 0 HA2 GLY B 585 57.984 10.653 2.943 1.00 0.00 H new ATOM 0 HA3 GLY B 585 58.495 11.937 1.865 1.00 0.00 H new ATOM 2239 N THR B 586 61.179 10.837 2.589 1.00 0.00 N ATOM 2240 CA THR B 586 62.401 10.077 2.199 1.00 0.00 C ATOM 2241 C THR B 586 63.296 9.929 3.422 1.00 0.00 C ATOM 2242 O THR B 586 64.499 9.799 3.310 1.00 0.00 O ATOM 2243 CB THR B 586 63.146 10.843 1.102 1.00 0.00 C ATOM 2244 OG1 THR B 586 64.042 11.769 1.702 1.00 0.00 O ATOM 2245 CG2 THR B 586 62.134 11.596 0.235 1.00 0.00 C ATOM 0 H THR B 586 61.355 11.668 3.153 1.00 0.00 H new ATOM 0 HA THR B 586 62.126 9.092 1.823 1.00 0.00 H new ATOM 0 HB THR B 586 63.707 10.145 0.481 1.00 0.00 H new ATOM 0 HG1 THR B 586 64.701 11.284 2.241 1.00 0.00 H new ATOM 0 HG21 THR B 586 62.661 12.143 -0.547 1.00 0.00 H new ATOM 0 HG22 THR B 586 61.445 10.885 -0.220 1.00 0.00 H new ATOM 0 HG23 THR B 586 61.575 12.297 0.854 1.00 0.00 H new ATOM 2253 N PHE B 587 62.719 9.949 4.597 1.00 0.00 N ATOM 2254 CA PHE B 587 63.551 9.810 5.835 1.00 0.00 C ATOM 2255 C PHE B 587 63.678 8.338 6.229 1.00 0.00 C ATOM 2256 O PHE B 587 62.757 7.705 6.704 1.00 0.00 O ATOM 2257 CB PHE B 587 62.960 10.631 6.997 1.00 0.00 C ATOM 2258 CG PHE B 587 61.821 9.898 7.695 1.00 0.00 C ATOM 2259 CD1 PHE B 587 60.763 9.352 6.955 1.00 0.00 C ATOM 2260 CD2 PHE B 587 61.826 9.772 9.093 1.00 0.00 C ATOM 2261 CE1 PHE B 587 59.718 8.685 7.607 1.00 0.00 C ATOM 2262 CE2 PHE B 587 60.782 9.104 9.743 1.00 0.00 C ATOM 2263 CZ PHE B 587 59.728 8.562 9.000 1.00 0.00 C ATOM 0 H PHE B 587 61.717 10.055 4.754 1.00 0.00 H new ATOM 0 HA PHE B 587 64.545 10.201 5.620 1.00 0.00 H new ATOM 0 HB2 PHE B 587 63.745 10.852 7.720 1.00 0.00 H new ATOM 0 HB3 PHE B 587 62.597 11.586 6.618 1.00 0.00 H new ATOM 0 HD1 PHE B 587 60.754 9.446 5.879 1.00 0.00 H new ATOM 0 HD2 PHE B 587 62.638 10.192 9.669 1.00 0.00 H new ATOM 0 HE1 PHE B 587 58.904 8.266 7.034 1.00 0.00 H new ATOM 0 HE2 PHE B 587 60.790 9.007 10.819 1.00 0.00 H new ATOM 0 HZ PHE B 587 58.922 8.048 9.502 1.00 0.00 H new ATOM 2273 N LYS B 588 64.841 7.800 6.028 1.00 0.00 N ATOM 2274 CA LYS B 588 65.117 6.381 6.373 1.00 0.00 C ATOM 2275 C LYS B 588 65.920 6.382 7.679 1.00 0.00 C ATOM 2276 O LYS B 588 66.404 7.408 8.110 1.00 0.00 O ATOM 2277 CB LYS B 588 65.927 5.767 5.205 1.00 0.00 C ATOM 2278 CG LYS B 588 65.386 4.391 4.735 1.00 0.00 C ATOM 2279 CD LYS B 588 63.857 4.351 4.482 1.00 0.00 C ATOM 2280 CE LYS B 588 63.319 5.670 3.909 1.00 0.00 C ATOM 2281 NZ LYS B 588 62.128 5.383 3.060 1.00 0.00 N ATOM 0 H LYS B 588 65.636 8.298 5.627 1.00 0.00 H new ATOM 0 HA LYS B 588 64.210 5.793 6.515 1.00 0.00 H new ATOM 0 HB2 LYS B 588 65.918 6.459 4.363 1.00 0.00 H new ATOM 0 HB3 LYS B 588 66.966 5.654 5.513 1.00 0.00 H new ATOM 0 HG2 LYS B 588 65.900 4.107 3.817 1.00 0.00 H new ATOM 0 HG3 LYS B 588 65.637 3.641 5.485 1.00 0.00 H new ATOM 0 HD2 LYS B 588 63.628 3.539 3.792 1.00 0.00 H new ATOM 0 HD3 LYS B 588 63.343 4.129 5.417 1.00 0.00 H new ATOM 0 HE2 LYS B 588 63.049 6.349 4.718 1.00 0.00 H new ATOM 0 HE3 LYS B 588 64.090 6.166 3.320 1.00 0.00 H new ATOM 0 HZ1 LYS B 588 61.758 6.273 2.668 1.00 0.00 H new ATOM 0 HZ2 LYS B 588 62.401 4.749 2.282 1.00 0.00 H new ATOM 0 HZ3 LYS B 588 61.393 4.927 3.637 1.00 0.00 H new ATOM 2295 N GLU B 589 66.049 5.260 8.327 1.00 0.00 N ATOM 2296 CA GLU B 589 66.804 5.240 9.615 1.00 0.00 C ATOM 2297 C GLU B 589 67.405 3.863 9.864 1.00 0.00 C ATOM 2298 O GLU B 589 66.948 2.851 9.369 1.00 0.00 O ATOM 2299 CB GLU B 589 65.858 5.627 10.768 1.00 0.00 C ATOM 2300 CG GLU B 589 66.396 5.136 12.123 1.00 0.00 C ATOM 2301 CD GLU B 589 65.612 5.807 13.252 1.00 0.00 C ATOM 2302 OE1 GLU B 589 65.696 7.018 13.366 1.00 0.00 O ATOM 2303 OE2 GLU B 589 64.942 5.097 13.984 1.00 0.00 O ATOM 0 H GLU B 589 65.669 4.362 8.027 1.00 0.00 H new ATOM 0 HA GLU B 589 67.620 5.960 9.560 1.00 0.00 H new ATOM 0 HB2 GLU B 589 65.737 6.710 10.794 1.00 0.00 H new ATOM 0 HB3 GLU B 589 64.871 5.200 10.590 1.00 0.00 H new ATOM 0 HG2 GLU B 589 66.302 4.052 12.194 1.00 0.00 H new ATOM 0 HG3 GLU B 589 67.457 5.370 12.212 1.00 0.00 H new ATOM 2310 N GLN B 590 68.420 3.849 10.665 1.00 0.00 N ATOM 2311 CA GLN B 590 69.101 2.595 11.038 1.00 0.00 C ATOM 2312 C GLN B 590 69.791 2.853 12.373 1.00 0.00 C ATOM 2313 O GLN B 590 70.245 3.948 12.636 1.00 0.00 O ATOM 2314 CB GLN B 590 70.142 2.208 9.970 1.00 0.00 C ATOM 2315 CG GLN B 590 70.400 0.685 10.011 1.00 0.00 C ATOM 2316 CD GLN B 590 69.452 -0.040 9.048 1.00 0.00 C ATOM 2317 OE1 GLN B 590 68.248 0.025 9.198 1.00 0.00 O ATOM 2318 NE2 GLN B 590 69.952 -0.731 8.060 1.00 0.00 N ATOM 0 H GLN B 590 68.819 4.686 11.091 1.00 0.00 H new ATOM 0 HA GLN B 590 68.388 1.774 11.113 1.00 0.00 H new ATOM 0 HB2 GLN B 590 69.786 2.498 8.981 1.00 0.00 H new ATOM 0 HB3 GLN B 590 71.073 2.748 10.145 1.00 0.00 H new ATOM 0 HG2 GLN B 590 71.435 0.477 9.739 1.00 0.00 H new ATOM 0 HG3 GLN B 590 70.255 0.312 11.025 1.00 0.00 H new ATOM 0 HE21 GLN B 590 70.963 -0.785 7.935 1.00 0.00 H new ATOM 0 HE22 GLN B 590 69.332 -1.217 7.413 1.00 0.00 H new ATOM 2327 N ASN B 591 69.874 1.873 13.220 1.00 0.00 N ATOM 2328 CA ASN B 591 70.532 2.081 14.542 1.00 0.00 C ATOM 2329 C ASN B 591 70.018 3.390 15.177 1.00 0.00 C ATOM 2330 O ASN B 591 70.675 3.968 16.016 1.00 0.00 O ATOM 2331 CB ASN B 591 72.079 2.116 14.384 1.00 0.00 C ATOM 2332 CG ASN B 591 72.472 2.351 12.930 1.00 0.00 C ATOM 2333 OD1 ASN B 591 73.156 3.305 12.615 1.00 0.00 O ATOM 2334 ND2 ASN B 591 72.062 1.513 12.030 1.00 0.00 N ATOM 0 H ASN B 591 69.515 0.932 13.058 1.00 0.00 H new ATOM 0 HA ASN B 591 70.281 1.248 15.199 1.00 0.00 H new ATOM 0 HB2 ASN B 591 72.495 2.906 15.009 1.00 0.00 H new ATOM 0 HB3 ASN B 591 72.506 1.176 14.733 1.00 0.00 H new ATOM 0 HD21 ASN B 591 72.313 1.652 11.051 1.00 0.00 H new ATOM 0 HD22 ASN B 591 71.488 0.714 12.301 1.00 0.00 H new ATOM 2341 N ASP B 592 68.840 3.837 14.788 1.00 0.00 N ATOM 2342 CA ASP B 592 68.238 5.091 15.366 1.00 0.00 C ATOM 2343 C ASP B 592 68.814 6.333 14.686 1.00 0.00 C ATOM 2344 O ASP B 592 68.394 7.443 14.945 1.00 0.00 O ATOM 2345 CB ASP B 592 68.519 5.182 16.872 1.00 0.00 C ATOM 2346 CG ASP B 592 68.433 3.790 17.505 1.00 0.00 C ATOM 2347 OD1 ASP B 592 69.198 3.528 18.418 1.00 0.00 O ATOM 2348 OD2 ASP B 592 67.602 3.012 17.066 1.00 0.00 O ATOM 0 H ASP B 592 68.262 3.379 14.084 1.00 0.00 H new ATOM 0 HA ASP B 592 67.162 5.047 15.195 1.00 0.00 H new ATOM 0 HB2 ASP B 592 69.508 5.607 17.041 1.00 0.00 H new ATOM 0 HB3 ASP B 592 67.800 5.851 17.345 1.00 0.00 H new ATOM 2353 N LYS B 593 69.775 6.161 13.836 1.00 0.00 N ATOM 2354 CA LYS B 593 70.390 7.325 13.156 1.00 0.00 C ATOM 2355 C LYS B 593 69.608 7.641 11.867 1.00 0.00 C ATOM 2356 O LYS B 593 69.587 6.830 10.962 1.00 0.00 O ATOM 2357 CB LYS B 593 71.818 6.950 12.790 1.00 0.00 C ATOM 2358 CG LYS B 593 72.576 6.481 14.045 1.00 0.00 C ATOM 2359 CD LYS B 593 74.080 6.720 13.865 1.00 0.00 C ATOM 2360 CE LYS B 593 74.813 6.379 15.164 1.00 0.00 C ATOM 2361 NZ LYS B 593 74.599 7.470 16.157 1.00 0.00 N ATOM 0 H LYS B 593 70.166 5.255 13.579 1.00 0.00 H new ATOM 0 HA LYS B 593 70.373 8.198 13.809 1.00 0.00 H new ATOM 0 HB2 LYS B 593 71.814 6.159 12.040 1.00 0.00 H new ATOM 0 HB3 LYS B 593 72.326 7.807 12.347 1.00 0.00 H new ATOM 0 HG2 LYS B 593 72.215 7.020 14.921 1.00 0.00 H new ATOM 0 HG3 LYS B 593 72.386 5.422 14.221 1.00 0.00 H new ATOM 0 HD2 LYS B 593 74.461 6.106 13.049 1.00 0.00 H new ATOM 0 HD3 LYS B 593 74.263 7.760 13.594 1.00 0.00 H new ATOM 0 HE2 LYS B 593 74.447 5.433 15.563 1.00 0.00 H new ATOM 0 HE3 LYS B 593 75.878 6.253 14.971 1.00 0.00 H new ATOM 0 HZ1 LYS B 593 75.263 7.354 16.949 1.00 0.00 H new ATOM 0 HZ2 LYS B 593 74.761 8.391 15.701 1.00 0.00 H new ATOM 0 HZ3 LYS B 593 73.623 7.427 16.515 1.00 0.00 H new ATOM 2375 N PRO B 594 68.974 8.794 11.747 1.00 0.00 N ATOM 2376 CA PRO B 594 68.226 9.112 10.499 1.00 0.00 C ATOM 2377 C PRO B 594 69.069 8.864 9.240 1.00 0.00 C ATOM 2378 O PRO B 594 70.274 8.719 9.310 1.00 0.00 O ATOM 2379 CB PRO B 594 67.911 10.598 10.698 1.00 0.00 C ATOM 2380 CG PRO B 594 67.976 10.882 12.198 1.00 0.00 C ATOM 2381 CD PRO B 594 68.937 9.852 12.807 1.00 0.00 C ATOM 0 HA PRO B 594 67.343 8.491 10.345 1.00 0.00 H new ATOM 0 HB2 PRO B 594 68.627 11.218 10.159 1.00 0.00 H new ATOM 0 HB3 PRO B 594 66.923 10.837 10.305 1.00 0.00 H new ATOM 0 HG2 PRO B 594 68.329 11.896 12.384 1.00 0.00 H new ATOM 0 HG3 PRO B 594 66.987 10.801 12.649 1.00 0.00 H new ATOM 0 HD2 PRO B 594 69.924 10.276 12.995 1.00 0.00 H new ATOM 0 HD3 PRO B 594 68.570 9.464 13.758 1.00 0.00 H new ATOM 2389 N TYR B 595 68.446 8.799 8.095 1.00 0.00 N ATOM 2390 CA TYR B 595 69.221 8.542 6.842 1.00 0.00 C ATOM 2391 C TYR B 595 68.324 8.736 5.618 1.00 0.00 C ATOM 2392 O TYR B 595 67.211 8.260 5.587 1.00 0.00 O ATOM 2393 CB TYR B 595 69.672 7.070 6.798 1.00 0.00 C ATOM 2394 CG TYR B 595 70.914 6.801 7.624 1.00 0.00 C ATOM 2395 CD1 TYR B 595 72.121 7.425 7.299 1.00 0.00 C ATOM 2396 CD2 TYR B 595 70.868 5.873 8.675 1.00 0.00 C ATOM 2397 CE1 TYR B 595 73.282 7.125 8.027 1.00 0.00 C ATOM 2398 CE2 TYR B 595 72.025 5.582 9.403 1.00 0.00 C ATOM 2399 CZ TYR B 595 73.232 6.206 9.078 1.00 0.00 C ATOM 2400 OH TYR B 595 74.375 5.912 9.794 1.00 0.00 O ATOM 0 H TYR B 595 67.440 8.912 7.970 1.00 0.00 H new ATOM 0 HA TYR B 595 70.068 9.228 6.832 1.00 0.00 H new ATOM 0 HB2 TYR B 595 68.860 6.437 7.157 1.00 0.00 H new ATOM 0 HB3 TYR B 595 69.863 6.786 5.763 1.00 0.00 H new ATOM 0 HD1 TYR B 595 72.160 8.137 6.488 1.00 0.00 H new ATOM 0 HD2 TYR B 595 69.938 5.383 8.922 1.00 0.00 H new ATOM 0 HE1 TYR B 595 74.216 7.605 7.775 1.00 0.00 H new ATOM 0 HE2 TYR B 595 71.986 4.874 10.218 1.00 0.00 H new ATOM 0 HH TYR B 595 74.132 5.450 10.624 1.00 0.00 H new ATOM 2410 N CYS B 596 68.824 9.323 4.568 1.00 0.00 N ATOM 2411 CA CYS B 596 67.989 9.390 3.343 1.00 0.00 C ATOM 2412 C CYS B 596 68.007 7.976 2.799 1.00 0.00 C ATOM 2413 O CYS B 596 68.951 7.245 3.024 1.00 0.00 O ATOM 2414 CB CYS B 596 68.579 10.339 2.286 1.00 0.00 C ATOM 2415 SG CYS B 596 69.118 11.892 3.039 1.00 0.00 S ATOM 0 H CYS B 596 69.749 9.748 4.505 1.00 0.00 H new ATOM 0 HA CYS B 596 66.992 9.766 3.573 1.00 0.00 H new ATOM 0 HB2 CYS B 596 69.423 9.858 1.791 1.00 0.00 H new ATOM 0 HB3 CYS B 596 67.833 10.543 1.518 1.00 0.00 H new ATOM 0 HG CYS B 596 70.098 11.659 3.860 1.00 0.00 H new ATOM 2420 N GLN B 597 67.013 7.559 2.088 1.00 0.00 N ATOM 2421 CA GLN B 597 67.066 6.178 1.563 1.00 0.00 C ATOM 2422 C GLN B 597 68.364 6.055 0.763 1.00 0.00 C ATOM 2423 O GLN B 597 69.204 5.227 1.043 1.00 0.00 O ATOM 2424 CB GLN B 597 65.809 5.920 0.700 1.00 0.00 C ATOM 2425 CG GLN B 597 66.053 4.852 -0.386 1.00 0.00 C ATOM 2426 CD GLN B 597 65.778 3.464 0.185 1.00 0.00 C ATOM 2427 OE1 GLN B 597 65.344 2.573 -0.517 1.00 0.00 O ATOM 2428 NE2 GLN B 597 66.016 3.250 1.442 1.00 0.00 N ATOM 0 H GLN B 597 66.181 8.099 1.850 1.00 0.00 H new ATOM 0 HA GLN B 597 67.066 5.429 2.355 1.00 0.00 H new ATOM 0 HB2 GLN B 597 64.989 5.600 1.343 1.00 0.00 H new ATOM 0 HB3 GLN B 597 65.498 6.852 0.227 1.00 0.00 H new ATOM 0 HG2 GLN B 597 65.406 5.037 -1.244 1.00 0.00 H new ATOM 0 HG3 GLN B 597 67.081 4.911 -0.743 1.00 0.00 H new ATOM 0 HE21 GLN B 597 66.380 4.002 2.027 1.00 0.00 H new ATOM 0 HE22 GLN B 597 65.839 2.330 1.845 1.00 0.00 H new ATOM 2437 N ASN B 598 68.532 6.891 -0.221 1.00 0.00 N ATOM 2438 CA ASN B 598 69.767 6.847 -1.049 1.00 0.00 C ATOM 2439 C ASN B 598 70.981 6.721 -0.137 1.00 0.00 C ATOM 2440 O ASN B 598 71.980 6.144 -0.501 1.00 0.00 O ATOM 2441 CB ASN B 598 69.862 8.134 -1.883 1.00 0.00 C ATOM 2442 CG ASN B 598 68.461 8.606 -2.246 1.00 0.00 C ATOM 2443 OD1 ASN B 598 68.084 9.724 -1.957 1.00 0.00 O ATOM 2444 ND2 ASN B 598 67.674 7.791 -2.873 1.00 0.00 N ATOM 0 H ASN B 598 67.860 7.610 -0.490 1.00 0.00 H new ATOM 0 HA ASN B 598 69.736 5.988 -1.719 1.00 0.00 H new ATOM 0 HB2 ASN B 598 70.384 8.908 -1.320 1.00 0.00 H new ATOM 0 HB3 ASN B 598 70.442 7.952 -2.788 1.00 0.00 H new ATOM 0 HD21 ASN B 598 66.731 8.086 -3.127 1.00 0.00 H new ATOM 0 HD22 ASN B 598 67.997 6.854 -3.113 1.00 0.00 H new ATOM 2451 N CYS B 599 70.894 7.239 1.053 1.00 0.00 N ATOM 2452 CA CYS B 599 72.036 7.123 1.989 1.00 0.00 C ATOM 2453 C CYS B 599 71.946 5.776 2.704 1.00 0.00 C ATOM 2454 O CYS B 599 72.768 4.913 2.502 1.00 0.00 O ATOM 2455 CB CYS B 599 71.964 8.253 3.013 1.00 0.00 C ATOM 2456 SG CYS B 599 72.073 9.844 2.158 1.00 0.00 S ATOM 0 H CYS B 599 70.081 7.737 1.416 1.00 0.00 H new ATOM 0 HA CYS B 599 72.978 7.191 1.445 1.00 0.00 H new ATOM 0 HB2 CYS B 599 71.031 8.192 3.574 1.00 0.00 H new ATOM 0 HB3 CYS B 599 72.776 8.158 3.734 1.00 0.00 H new ATOM 0 HG CYS B 599 71.120 10.625 2.572 1.00 0.00 H new ATOM 2461 N PHE B 600 70.932 5.593 3.516 1.00 0.00 N ATOM 2462 CA PHE B 600 70.751 4.306 4.258 1.00 0.00 C ATOM 2463 C PHE B 600 71.011 3.132 3.317 1.00 0.00 C ATOM 2464 O PHE B 600 71.831 2.274 3.579 1.00 0.00 O ATOM 2465 CB PHE B 600 69.298 4.269 4.803 1.00 0.00 C ATOM 2466 CG PHE B 600 68.681 2.882 4.728 1.00 0.00 C ATOM 2467 CD1 PHE B 600 68.739 2.024 5.831 1.00 0.00 C ATOM 2468 CD2 PHE B 600 68.046 2.466 3.554 1.00 0.00 C ATOM 2469 CE1 PHE B 600 68.164 0.750 5.759 1.00 0.00 C ATOM 2470 CE2 PHE B 600 67.471 1.192 3.481 1.00 0.00 C ATOM 2471 CZ PHE B 600 67.531 0.333 4.584 1.00 0.00 C ATOM 0 H PHE B 600 70.212 6.292 3.698 1.00 0.00 H new ATOM 0 HA PHE B 600 71.454 4.233 5.088 1.00 0.00 H new ATOM 0 HB2 PHE B 600 69.294 4.609 5.839 1.00 0.00 H new ATOM 0 HB3 PHE B 600 68.683 4.967 4.235 1.00 0.00 H new ATOM 0 HD1 PHE B 600 69.228 2.345 6.739 1.00 0.00 H new ATOM 0 HD2 PHE B 600 67.999 3.129 2.702 1.00 0.00 H new ATOM 0 HE1 PHE B 600 68.209 0.089 6.612 1.00 0.00 H new ATOM 0 HE2 PHE B 600 66.981 0.872 2.573 1.00 0.00 H new ATOM 0 HZ PHE B 600 67.089 -0.651 4.528 1.00 0.00 H new ATOM 2481 N LEU B 601 70.298 3.084 2.239 1.00 0.00 N ATOM 2482 CA LEU B 601 70.463 1.969 1.283 1.00 0.00 C ATOM 2483 C LEU B 601 71.944 1.825 0.932 1.00 0.00 C ATOM 2484 O LEU B 601 72.468 0.736 0.867 1.00 0.00 O ATOM 2485 CB LEU B 601 69.563 2.253 0.048 1.00 0.00 C ATOM 2486 CG LEU B 601 70.362 2.609 -1.231 1.00 0.00 C ATOM 2487 CD1 LEU B 601 71.121 1.376 -1.782 1.00 0.00 C ATOM 2488 CD2 LEU B 601 69.374 3.106 -2.292 1.00 0.00 C ATOM 0 H LEU B 601 69.599 3.778 1.975 1.00 0.00 H new ATOM 0 HA LEU B 601 70.149 1.016 1.709 1.00 0.00 H new ATOM 0 HB2 LEU B 601 68.946 1.377 -0.151 1.00 0.00 H new ATOM 0 HB3 LEU B 601 68.885 3.074 0.283 1.00 0.00 H new ATOM 0 HG LEU B 601 71.096 3.377 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU B 601 71.672 1.659 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU B 601 71.819 1.011 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU B 601 70.408 0.589 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU B 601 69.916 3.363 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU B 601 68.649 2.322 -2.510 1.00 0.00 H new ATOM 0 HD23 LEU B 601 68.853 3.988 -1.919 1.00 0.00 H new ATOM 2500 N LYS B 602 72.625 2.902 0.697 1.00 0.00 N ATOM 2501 CA LYS B 602 74.067 2.780 0.335 1.00 0.00 C ATOM 2502 C LYS B 602 74.880 2.192 1.510 1.00 0.00 C ATOM 2503 O LYS B 602 75.970 1.698 1.315 1.00 0.00 O ATOM 2504 CB LYS B 602 74.629 4.172 -0.064 1.00 0.00 C ATOM 2505 CG LYS B 602 75.681 4.070 -1.200 1.00 0.00 C ATOM 2506 CD LYS B 602 77.091 4.038 -0.613 1.00 0.00 C ATOM 2507 CE LYS B 602 78.075 3.498 -1.651 1.00 0.00 C ATOM 2508 NZ LYS B 602 79.464 3.882 -1.270 1.00 0.00 N ATOM 0 H LYS B 602 72.258 3.853 0.737 1.00 0.00 H new ATOM 0 HA LYS B 602 74.156 2.101 -0.513 1.00 0.00 H new ATOM 0 HB2 LYS B 602 73.810 4.815 -0.385 1.00 0.00 H new ATOM 0 HB3 LYS B 602 75.082 4.644 0.808 1.00 0.00 H new ATOM 0 HG2 LYS B 602 75.504 3.170 -1.789 1.00 0.00 H new ATOM 0 HG3 LYS B 602 75.580 4.919 -1.876 1.00 0.00 H new ATOM 0 HD2 LYS B 602 77.388 5.040 -0.304 1.00 0.00 H new ATOM 0 HD3 LYS B 602 77.109 3.411 0.278 1.00 0.00 H new ATOM 0 HE2 LYS B 602 77.992 2.413 -1.716 1.00 0.00 H new ATOM 0 HE3 LYS B 602 77.834 3.896 -2.637 1.00 0.00 H new ATOM 0 HZ1 LYS B 602 80.010 4.105 -2.127 1.00 0.00 H new ATOM 0 HZ2 LYS B 602 79.436 4.716 -0.650 1.00 0.00 H new ATOM 0 HZ3 LYS B 602 79.917 3.092 -0.767 1.00 0.00 H new ATOM 2522 N LEU B 603 74.389 2.256 2.728 1.00 0.00 N ATOM 2523 CA LEU B 603 75.197 1.716 3.879 1.00 0.00 C ATOM 2524 C LEU B 603 74.900 0.231 4.147 1.00 0.00 C ATOM 2525 O LEU B 603 75.801 -0.583 4.204 1.00 0.00 O ATOM 2526 CB LEU B 603 74.902 2.513 5.170 1.00 0.00 C ATOM 2527 CG LEU B 603 74.482 3.940 4.834 1.00 0.00 C ATOM 2528 CD1 LEU B 603 74.227 4.717 6.127 1.00 0.00 C ATOM 2529 CD2 LEU B 603 75.585 4.638 4.033 1.00 0.00 C ATOM 0 H LEU B 603 73.481 2.650 2.975 1.00 0.00 H new ATOM 0 HA LEU B 603 76.245 1.820 3.599 1.00 0.00 H new ATOM 0 HB2 LEU B 603 74.112 2.019 5.736 1.00 0.00 H new ATOM 0 HB3 LEU B 603 75.788 2.529 5.805 1.00 0.00 H new ATOM 0 HG LEU B 603 73.570 3.909 4.237 1.00 0.00 H new ATOM 0 HD11 LEU B 603 73.927 5.737 5.886 1.00 0.00 H new ATOM 0 HD12 LEU B 603 73.434 4.230 6.694 1.00 0.00 H new ATOM 0 HD13 LEU B 603 75.139 4.739 6.724 1.00 0.00 H new ATOM 0 HD21 LEU B 603 75.275 5.656 3.798 1.00 0.00 H new ATOM 0 HD22 LEU B 603 76.502 4.664 4.622 1.00 0.00 H new ATOM 0 HD23 LEU B 603 75.764 4.091 3.108 1.00 0.00 H new ATOM 2541 N PHE B 604 73.658 -0.113 4.383 1.00 0.00 N ATOM 2542 CA PHE B 604 73.312 -1.535 4.733 1.00 0.00 C ATOM 2543 C PHE B 604 72.709 -2.301 3.543 1.00 0.00 C ATOM 2544 O PHE B 604 71.915 -3.202 3.730 1.00 0.00 O ATOM 2545 CB PHE B 604 72.310 -1.517 5.907 1.00 0.00 C ATOM 2546 CG PHE B 604 72.546 -0.282 6.752 1.00 0.00 C ATOM 2547 CD1 PHE B 604 73.504 -0.295 7.775 1.00 0.00 C ATOM 2548 CD2 PHE B 604 71.807 0.879 6.504 1.00 0.00 C ATOM 2549 CE1 PHE B 604 73.718 0.853 8.547 1.00 0.00 C ATOM 2550 CE2 PHE B 604 72.021 2.027 7.277 1.00 0.00 C ATOM 2551 CZ PHE B 604 72.977 2.013 8.298 1.00 0.00 C ATOM 0 H PHE B 604 72.864 0.527 4.349 1.00 0.00 H new ATOM 0 HA PHE B 604 74.229 -2.054 5.011 1.00 0.00 H new ATOM 0 HB2 PHE B 604 71.288 -1.521 5.527 1.00 0.00 H new ATOM 0 HB3 PHE B 604 72.428 -2.414 6.514 1.00 0.00 H new ATOM 0 HD1 PHE B 604 74.077 -1.190 7.968 1.00 0.00 H new ATOM 0 HD2 PHE B 604 71.070 0.890 5.715 1.00 0.00 H new ATOM 0 HE1 PHE B 604 74.456 0.843 9.336 1.00 0.00 H new ATOM 0 HE2 PHE B 604 71.448 2.922 7.085 1.00 0.00 H new ATOM 0 HZ PHE B 604 73.143 2.898 8.894 1.00 0.00 H new ATOM 2561 N CYS B 605 73.082 -1.983 2.330 1.00 0.00 N ATOM 2562 CA CYS B 605 72.523 -2.742 1.163 1.00 0.00 C ATOM 2563 C CYS B 605 73.450 -3.921 0.851 1.00 0.00 C ATOM 2564 O CYS B 605 74.457 -3.700 0.198 1.00 0.00 O ATOM 2565 CB CYS B 605 72.419 -1.824 -0.063 1.00 0.00 C ATOM 2566 SG CYS B 605 72.264 -2.816 -1.573 1.00 0.00 S ATOM 2567 OXT CYS B 605 73.137 -5.022 1.271 1.00 0.00 O ATOM 0 H CYS B 605 73.741 -1.241 2.095 1.00 0.00 H new ATOM 0 HA CYS B 605 71.526 -3.108 1.409 1.00 0.00 H new ATOM 0 HB2 CYS B 605 71.557 -1.165 0.039 1.00 0.00 H new ATOM 0 HB3 CYS B 605 73.301 -1.187 -0.126 1.00 0.00 H new ATOM 0 HG CYS B 605 73.294 -3.602 -1.683 1.00 0.00 H new