USER MOD reduce.3.24.130724 H: found=0, std=0, add=1131, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1119 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 575 CYS SG : rot -173:sc= -1.98 USER MOD Set 1.2: B 578 CYS SG : rot 44:sc= 0.392! USER MOD Set 1.3: B 596 CYS SG : rot 125:sc= -2.38 USER MOD Set 1.4: B 599 CYS SG : rot -71:sc= -0.552 USER MOD Set 2.1: B 591 ASN : amide:sc= -12.3! C(o=-14!,f=-8.3!) USER MOD Set 2.2: B 595 TYR OH : rot 110:sc= -1.63 USER MOD Set 3.1: B 564 MET CE :methyl 168:sc= -4.22! (180deg=0) USER MOD Set 3.2: B 566 LYS NZ :NH3+ 149:sc= -4.19! (180deg=0) USER MOD Set 4.1: B 562 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: B 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: B 549 CYS SG : rot 20:sc= -3.5! USER MOD Set 5.2: B 552 CYS SG : rot 147:sc= 0.222 USER MOD Set 5.3: B 569 HIS : no HE2:sc= -4.66! C(o=-13!,f=-28!) USER MOD Set 5.4: B 572 HIS : no HD1:sc= -4.97! C(o=-13!,f=-21!) USER MOD Single : A 17 THR OG1 : rot 39:sc= 0.315 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -4.68! C(o=-4.7!,f=-4.8!) USER MOD Single : A 25 THR OG1 : rot 160:sc= -0.541 USER MOD Single : A 28 ASN : amide:sc= -3.31! K(o=-3.3!,f=-1.6) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -160:sc= -2.16 USER MOD Single : A 40 HIS : no HD1:sc= 0.678 K(o=0.68,f=-3.1!) USER MOD Single : A 45 MET CE :methyl 160:sc= -1.02 (180deg=-2.7) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -154:sc= -1.14 (180deg=-1.34) USER MOD Single : A 55 LYS NZ :NH3+ -120:sc= 0.00722 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -149:sc= -0.316 (180deg=-1.33!) USER MOD Single : A 59 SER OG : rot 140:sc= -0.208 USER MOD Single : A 61 HIS : no HD1:sc= -9.15! C(o=-9.1!,f=-14!) USER MOD Single : A 67 LYS NZ :NH3+ 159:sc= -0.107 (180deg=-0.839) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 74 LYS NZ :NH3+ 163:sc= -1.08 (180deg=-1.77) USER MOD Single : A 75 THR OG1 : rot -120:sc= -1.76 USER MOD Single : A 76 HIS : no HD1:sc= -0.456 K(o=-0.46,f=-1.7!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.258) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -2.15! K(o=-2.1!,f=-1.5) USER MOD Single : A 89 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.214) USER MOD Single : A 91 GLN : amide:sc= -7.38! C(o=-7.4!,f=-13!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : B 547 SER OG : rot 180:sc= 0 USER MOD Single : B 550 SER OG : rot 130:sc= 0 USER MOD Single : B 553 GLN : amide:sc= -3.7! K(o=-3.7!,f=-1.2) USER MOD Single : B 554 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 557 THR OG1 : rot 61:sc= 0.926 USER MOD Single : B 560 CYS SG : rot 33:sc= 0.341 USER MOD Single : B 580 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.682) USER MOD Single : B 581 GLN : amide:sc= -6.24! C(o=-6.2!,f=-2.7!) USER MOD Single : B 583 ASN : amide:sc= -1.81! C(o=-1.8!,f=-3.3!) USER MOD Single : B 584 LYS NZ :NH3+ 145:sc= -1.25 (180deg=-3.03!) USER MOD Single : B 586 THR OG1 : rot 180:sc= -0.0343 USER MOD Single : B 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 590 GLN : amide:sc= -0.353! K(o=-0.35!,f=-2.5) USER MOD Single : B 593 LYS NZ :NH3+ -156:sc= -0.115 (180deg=-0.831) USER MOD Single : B 597 GLN : amide:sc= -4.49! K(o=-4.5!,f=-0.054) USER MOD Single : B 598 ASN : amide:sc= -0.642 X(o=-0.64,f=-0.48) USER MOD Single : B 602 LYS NZ :NH3+ 146:sc= -0.362 (180deg=-1.88!) USER MOD Single : B 605 CYS SG : rot -27:sc= -0.226 USER MOD ----------------------------------------------------------------- ATOM 213 N GLY A 16 89.136 -13.458 14.273 1.00 0.00 N ATOM 214 CA GLY A 16 89.129 -13.236 12.797 1.00 0.00 C ATOM 215 C GLY A 16 88.833 -11.767 12.527 1.00 0.00 C ATOM 216 O GLY A 16 88.309 -11.411 11.493 1.00 0.00 O ATOM 0 HA2 GLY A 16 90.092 -13.513 12.368 1.00 0.00 H new ATOM 0 HA3 GLY A 16 88.377 -13.867 12.323 1.00 0.00 H new ATOM 220 N THR A 17 89.157 -10.913 13.461 1.00 0.00 N ATOM 221 CA THR A 17 88.892 -9.461 13.288 1.00 0.00 C ATOM 222 C THR A 17 90.160 -8.758 12.812 1.00 0.00 C ATOM 223 O THR A 17 91.181 -8.784 13.470 1.00 0.00 O ATOM 224 CB THR A 17 88.480 -8.867 14.639 1.00 0.00 C ATOM 225 OG1 THR A 17 89.314 -9.399 15.658 1.00 0.00 O ATOM 226 CG2 THR A 17 87.025 -9.219 14.937 1.00 0.00 C ATOM 0 H THR A 17 89.599 -11.166 14.345 1.00 0.00 H new ATOM 0 HA THR A 17 88.099 -9.323 12.553 1.00 0.00 H new ATOM 0 HB THR A 17 88.586 -7.783 14.605 1.00 0.00 H new ATOM 0 HG1 THR A 17 90.233 -9.469 15.325 1.00 0.00 H new ATOM 0 HG21 THR A 17 86.738 -8.794 15.899 1.00 0.00 H new ATOM 0 HG22 THR A 17 86.385 -8.812 14.154 1.00 0.00 H new ATOM 0 HG23 THR A 17 86.912 -10.303 14.971 1.00 0.00 H new ATOM 234 N TRP A 18 90.085 -8.108 11.686 1.00 0.00 N ATOM 235 CA TRP A 18 91.258 -7.360 11.151 1.00 0.00 C ATOM 236 C TRP A 18 90.811 -5.931 10.835 1.00 0.00 C ATOM 237 O TRP A 18 89.808 -5.717 10.184 1.00 0.00 O ATOM 238 CB TRP A 18 91.784 -8.036 9.881 1.00 0.00 C ATOM 239 CG TRP A 18 90.677 -8.645 9.079 1.00 0.00 C ATOM 240 CD1 TRP A 18 89.899 -9.693 9.446 1.00 0.00 C ATOM 241 CD2 TRP A 18 90.245 -8.271 7.749 1.00 0.00 C ATOM 242 NE1 TRP A 18 89.018 -9.974 8.404 1.00 0.00 N ATOM 243 CE2 TRP A 18 89.204 -9.128 7.347 1.00 0.00 C ATOM 244 CE3 TRP A 18 90.654 -7.278 6.862 1.00 0.00 C ATOM 245 CZ2 TRP A 18 88.602 -9.009 6.106 1.00 0.00 C ATOM 246 CZ3 TRP A 18 90.045 -7.155 5.614 1.00 0.00 C ATOM 247 CH2 TRP A 18 89.027 -8.022 5.232 1.00 0.00 C ATOM 0 H TRP A 18 89.249 -8.062 11.104 1.00 0.00 H new ATOM 0 HA TRP A 18 92.060 -7.350 11.889 1.00 0.00 H new ATOM 0 HB2 TRP A 18 92.314 -7.304 9.272 1.00 0.00 H new ATOM 0 HB3 TRP A 18 92.505 -8.808 10.151 1.00 0.00 H new ATOM 0 HD1 TRP A 18 89.953 -10.221 10.387 1.00 0.00 H new ATOM 0 HE1 TRP A 18 88.321 -10.718 8.427 1.00 0.00 H new ATOM 0 HE3 TRP A 18 91.447 -6.600 7.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 87.806 -9.681 5.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 90.367 -6.378 4.937 1.00 0.00 H new ATOM 0 HH2 TRP A 18 88.570 -7.926 4.258 1.00 0.00 H new ATOM 258 N GLU A 19 91.539 -4.949 11.300 1.00 0.00 N ATOM 259 CA GLU A 19 91.135 -3.535 11.030 1.00 0.00 C ATOM 260 C GLU A 19 91.628 -3.105 9.650 1.00 0.00 C ATOM 261 O GLU A 19 92.756 -3.351 9.272 1.00 0.00 O ATOM 262 CB GLU A 19 91.691 -2.580 12.122 1.00 0.00 C ATOM 263 CG GLU A 19 92.748 -3.294 12.957 1.00 0.00 C ATOM 264 CD GLU A 19 93.873 -3.796 12.047 1.00 0.00 C ATOM 265 OE1 GLU A 19 94.235 -4.954 12.169 1.00 0.00 O ATOM 266 OE2 GLU A 19 94.352 -3.012 11.245 1.00 0.00 O ATOM 0 H GLU A 19 92.390 -5.062 11.851 1.00 0.00 H new ATOM 0 HA GLU A 19 90.047 -3.478 11.053 1.00 0.00 H new ATOM 0 HB2 GLU A 19 92.123 -1.694 11.656 1.00 0.00 H new ATOM 0 HB3 GLU A 19 90.879 -2.238 12.764 1.00 0.00 H new ATOM 0 HG2 GLU A 19 93.151 -2.615 13.709 1.00 0.00 H new ATOM 0 HG3 GLU A 19 92.299 -4.131 13.491 1.00 0.00 H new ATOM 273 N LEU A 20 90.783 -2.447 8.903 1.00 0.00 N ATOM 274 CA LEU A 20 91.185 -1.975 7.551 1.00 0.00 C ATOM 275 C LEU A 20 91.896 -0.635 7.717 1.00 0.00 C ATOM 276 O LEU A 20 91.394 0.248 8.371 1.00 0.00 O ATOM 277 CB LEU A 20 89.920 -1.780 6.676 1.00 0.00 C ATOM 278 CG LEU A 20 90.065 -2.432 5.282 1.00 0.00 C ATOM 279 CD1 LEU A 20 91.436 -2.143 4.644 1.00 0.00 C ATOM 280 CD2 LEU A 20 89.885 -3.938 5.394 1.00 0.00 C ATOM 0 H LEU A 20 89.827 -2.216 9.174 1.00 0.00 H new ATOM 0 HA LEU A 20 91.841 -2.701 7.071 1.00 0.00 H new ATOM 0 HB2 LEU A 20 89.058 -2.208 7.187 1.00 0.00 H new ATOM 0 HB3 LEU A 20 89.723 -0.714 6.558 1.00 0.00 H new ATOM 0 HG LEU A 20 89.294 -1.999 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 20 91.490 -2.622 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 20 91.564 -1.067 4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 20 92.226 -2.536 5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 20 89.988 -4.391 4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 20 90.643 -4.346 6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 20 88.894 -4.157 5.792 1.00 0.00 H new ATOM 292 N SER A 21 93.032 -0.458 7.122 1.00 0.00 N ATOM 293 CA SER A 21 93.722 0.850 7.265 1.00 0.00 C ATOM 294 C SER A 21 93.045 1.852 6.340 1.00 0.00 C ATOM 295 O SER A 21 92.606 1.510 5.260 1.00 0.00 O ATOM 296 CB SER A 21 95.196 0.702 6.883 1.00 0.00 C ATOM 297 OG SER A 21 95.969 1.635 7.627 1.00 0.00 O ATOM 0 H SER A 21 93.512 -1.151 6.548 1.00 0.00 H new ATOM 0 HA SER A 21 93.663 1.195 8.297 1.00 0.00 H new ATOM 0 HB2 SER A 21 95.536 -0.314 7.086 1.00 0.00 H new ATOM 0 HB3 SER A 21 95.326 0.874 5.815 1.00 0.00 H new ATOM 0 HG SER A 21 96.914 1.542 7.386 1.00 0.00 H new ATOM 303 N VAL A 22 92.955 3.087 6.754 1.00 0.00 N ATOM 304 CA VAL A 22 92.301 4.116 5.889 1.00 0.00 C ATOM 305 C VAL A 22 93.081 5.427 5.943 1.00 0.00 C ATOM 306 O VAL A 22 93.059 6.143 6.922 1.00 0.00 O ATOM 307 CB VAL A 22 90.844 4.333 6.335 1.00 0.00 C ATOM 308 CG1 VAL A 22 90.286 5.627 5.729 1.00 0.00 C ATOM 309 CG2 VAL A 22 90.003 3.160 5.838 1.00 0.00 C ATOM 0 H VAL A 22 93.304 3.429 7.649 1.00 0.00 H new ATOM 0 HA VAL A 22 92.299 3.761 4.858 1.00 0.00 H new ATOM 0 HB VAL A 22 90.810 4.404 7.422 1.00 0.00 H new ATOM 0 HG11 VAL A 22 89.255 5.766 6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 22 90.888 6.473 6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 22 90.318 5.563 4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 22 88.967 3.299 6.146 1.00 0.00 H new ATOM 0 HG22 VAL A 22 90.055 3.110 4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 22 90.386 2.232 6.262 1.00 0.00 H new ATOM 319 N HIS A 23 93.747 5.746 4.870 1.00 0.00 N ATOM 320 CA HIS A 23 94.521 7.011 4.799 1.00 0.00 C ATOM 321 C HIS A 23 93.563 8.140 4.437 1.00 0.00 C ATOM 322 O HIS A 23 93.124 8.248 3.309 1.00 0.00 O ATOM 323 CB HIS A 23 95.576 6.871 3.701 1.00 0.00 C ATOM 324 CG HIS A 23 96.771 6.119 4.226 1.00 0.00 C ATOM 325 ND1 HIS A 23 96.666 4.849 4.772 1.00 0.00 N ATOM 326 CD2 HIS A 23 98.103 6.446 4.292 1.00 0.00 C ATOM 327 CE1 HIS A 23 97.901 4.462 5.138 1.00 0.00 C ATOM 328 NE2 HIS A 23 98.815 5.397 4.868 1.00 0.00 N ATOM 0 H HIS A 23 93.787 5.173 4.027 1.00 0.00 H new ATOM 0 HA HIS A 23 95.004 7.224 5.753 1.00 0.00 H new ATOM 0 HB2 HIS A 23 95.153 6.346 2.844 1.00 0.00 H new ATOM 0 HB3 HIS A 23 95.882 7.857 3.351 1.00 0.00 H new ATOM 0 HD2 HIS A 23 98.533 7.376 3.949 1.00 0.00 H new ATOM 0 HE1 HIS A 23 98.126 3.510 5.595 1.00 0.00 H new ATOM 0 HE2 HIS A 23 99.818 5.353 5.045 1.00 0.00 H new ATOM 336 N VAL A 24 93.221 8.981 5.370 1.00 0.00 N ATOM 337 CA VAL A 24 92.285 10.077 5.034 1.00 0.00 C ATOM 338 C VAL A 24 93.007 11.128 4.195 1.00 0.00 C ATOM 339 O VAL A 24 93.874 11.830 4.670 1.00 0.00 O ATOM 340 CB VAL A 24 91.760 10.711 6.314 1.00 0.00 C ATOM 341 CG1 VAL A 24 90.549 11.575 5.977 1.00 0.00 C ATOM 342 CG2 VAL A 24 91.346 9.606 7.290 1.00 0.00 C ATOM 0 H VAL A 24 93.546 8.956 6.337 1.00 0.00 H new ATOM 0 HA VAL A 24 91.448 9.676 4.463 1.00 0.00 H new ATOM 0 HB VAL A 24 92.535 11.327 6.771 1.00 0.00 H new ATOM 0 HG11 VAL A 24 90.165 12.034 6.888 1.00 0.00 H new ATOM 0 HG12 VAL A 24 90.842 12.354 5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 24 89.773 10.955 5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 24 90.969 10.055 8.209 1.00 0.00 H new ATOM 0 HG22 VAL A 24 90.565 8.995 6.838 1.00 0.00 H new ATOM 0 HG23 VAL A 24 92.209 8.981 7.519 1.00 0.00 H new ATOM 352 N THR A 25 92.648 11.241 2.948 1.00 0.00 N ATOM 353 CA THR A 25 93.301 12.247 2.073 1.00 0.00 C ATOM 354 C THR A 25 92.725 13.621 2.410 1.00 0.00 C ATOM 355 O THR A 25 91.726 13.722 3.091 1.00 0.00 O ATOM 356 CB THR A 25 93.027 11.906 0.603 1.00 0.00 C ATOM 357 OG1 THR A 25 91.837 12.557 0.183 1.00 0.00 O ATOM 358 CG2 THR A 25 92.870 10.388 0.444 1.00 0.00 C ATOM 0 H THR A 25 91.928 10.677 2.497 1.00 0.00 H new ATOM 0 HA THR A 25 94.379 12.247 2.234 1.00 0.00 H new ATOM 0 HB THR A 25 93.862 12.244 -0.010 1.00 0.00 H new ATOM 0 HG1 THR A 25 91.824 12.615 -0.795 1.00 0.00 H new ATOM 0 HG21 THR A 25 92.675 10.150 -0.602 1.00 0.00 H new ATOM 0 HG22 THR A 25 93.786 9.892 0.765 1.00 0.00 H new ATOM 0 HG23 THR A 25 92.037 10.042 1.056 1.00 0.00 H new ATOM 366 N ASP A 26 93.355 14.676 1.968 1.00 0.00 N ATOM 367 CA ASP A 26 92.851 16.040 2.303 1.00 0.00 C ATOM 368 C ASP A 26 93.163 16.292 3.781 1.00 0.00 C ATOM 369 O ASP A 26 93.656 17.335 4.161 1.00 0.00 O ATOM 370 CB ASP A 26 91.330 16.123 2.047 1.00 0.00 C ATOM 371 CG ASP A 26 90.936 17.556 1.669 1.00 0.00 C ATOM 372 OD1 ASP A 26 91.255 17.966 0.565 1.00 0.00 O ATOM 373 OD2 ASP A 26 90.322 18.217 2.490 1.00 0.00 O ATOM 0 H ASP A 26 94.195 14.653 1.390 1.00 0.00 H new ATOM 0 HA ASP A 26 93.331 16.794 1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 26 91.050 15.438 1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 26 90.786 15.811 2.939 1.00 0.00 H new ATOM 378 N LEU A 27 92.903 15.313 4.608 1.00 0.00 N ATOM 379 CA LEU A 27 93.202 15.433 6.060 1.00 0.00 C ATOM 380 C LEU A 27 94.584 14.823 6.287 1.00 0.00 C ATOM 381 O LEU A 27 95.327 15.241 7.150 1.00 0.00 O ATOM 382 CB LEU A 27 92.138 14.657 6.852 1.00 0.00 C ATOM 383 CG LEU A 27 90.988 15.598 7.259 1.00 0.00 C ATOM 384 CD1 LEU A 27 89.732 14.772 7.566 1.00 0.00 C ATOM 385 CD2 LEU A 27 91.392 16.422 8.500 1.00 0.00 C ATOM 0 H LEU A 27 92.490 14.423 4.331 1.00 0.00 H new ATOM 0 HA LEU A 27 93.190 16.472 6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 27 91.750 13.837 6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 27 92.587 14.214 7.741 1.00 0.00 H new ATOM 0 HG LEU A 27 90.777 16.282 6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 27 88.919 15.439 7.854 1.00 0.00 H new ATOM 0 HD12 LEU A 27 89.442 14.208 6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 27 89.941 14.082 8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 27 90.572 17.084 8.780 1.00 0.00 H new ATOM 0 HD22 LEU A 27 91.613 15.748 9.328 1.00 0.00 H new ATOM 0 HD23 LEU A 27 92.276 17.016 8.270 1.00 0.00 H new ATOM 397 N ASN A 28 94.918 13.838 5.492 1.00 0.00 N ATOM 398 CA ASN A 28 96.249 13.169 5.597 1.00 0.00 C ATOM 399 C ASN A 28 96.333 12.328 6.863 1.00 0.00 C ATOM 400 O ASN A 28 97.407 11.960 7.294 1.00 0.00 O ATOM 401 CB ASN A 28 97.366 14.218 5.611 1.00 0.00 C ATOM 402 CG ASN A 28 98.689 13.552 5.245 1.00 0.00 C ATOM 403 OD1 ASN A 28 99.639 14.211 4.873 1.00 0.00 O ATOM 404 ND2 ASN A 28 98.781 12.260 5.338 1.00 0.00 N ATOM 0 H ASN A 28 94.313 13.463 4.762 1.00 0.00 H new ATOM 0 HA ASN A 28 96.369 12.517 4.731 1.00 0.00 H new ATOM 0 HB2 ASN A 28 97.140 15.016 4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 28 97.437 14.677 6.597 1.00 0.00 H new ATOM 0 HD21 ASN A 28 99.655 11.792 5.098 1.00 0.00 H new ATOM 0 HD22 ASN A 28 97.979 11.713 5.651 1.00 0.00 H new ATOM 411 N ARG A 29 95.227 12.005 7.470 1.00 0.00 N ATOM 412 CA ARG A 29 95.287 11.183 8.691 1.00 0.00 C ATOM 413 C ARG A 29 95.239 9.721 8.300 1.00 0.00 C ATOM 414 O ARG A 29 95.148 9.371 7.140 1.00 0.00 O ATOM 415 CB ARG A 29 94.090 11.495 9.570 1.00 0.00 C ATOM 416 CG ARG A 29 94.136 12.971 9.972 1.00 0.00 C ATOM 417 CD ARG A 29 92.794 13.408 10.593 1.00 0.00 C ATOM 418 NE ARG A 29 92.986 13.663 12.048 1.00 0.00 N ATOM 419 CZ ARG A 29 92.986 12.669 12.893 1.00 0.00 C ATOM 420 NH1 ARG A 29 93.161 12.896 14.167 1.00 0.00 N ATOM 421 NH2 ARG A 29 92.807 11.448 12.466 1.00 0.00 N ATOM 0 H ARG A 29 94.291 12.277 7.169 1.00 0.00 H new ATOM 0 HA ARG A 29 96.207 11.399 9.234 1.00 0.00 H new ATOM 0 HB2 ARG A 29 93.165 11.279 9.036 1.00 0.00 H new ATOM 0 HB3 ARG A 29 94.100 10.863 10.458 1.00 0.00 H new ATOM 0 HG2 ARG A 29 94.943 13.134 10.686 1.00 0.00 H new ATOM 0 HG3 ARG A 29 94.355 13.585 9.098 1.00 0.00 H new ATOM 0 HD2 ARG A 29 92.427 14.308 10.099 1.00 0.00 H new ATOM 0 HD3 ARG A 29 92.042 12.634 10.444 1.00 0.00 H new ATOM 0 HE ARG A 29 93.118 14.617 12.384 1.00 0.00 H new ATOM 0 HH11 ARG A 29 93.298 13.850 14.501 1.00 0.00 H new ATOM 0 HH12 ARG A 29 93.161 12.119 14.828 1.00 0.00 H new ATOM 0 HH21 ARG A 29 92.667 11.271 11.471 1.00 0.00 H new ATOM 0 HH22 ARG A 29 92.807 10.671 13.127 1.00 0.00 H new ATOM 435 N ASP A 30 95.275 8.869 9.270 1.00 0.00 N ATOM 436 CA ASP A 30 95.207 7.410 9.002 1.00 0.00 C ATOM 437 C ASP A 30 94.328 6.773 10.057 1.00 0.00 C ATOM 438 O ASP A 30 94.645 6.782 11.230 1.00 0.00 O ATOM 439 CB ASP A 30 96.599 6.789 9.060 1.00 0.00 C ATOM 440 CG ASP A 30 97.379 7.162 7.798 1.00 0.00 C ATOM 441 OD1 ASP A 30 97.908 8.260 7.756 1.00 0.00 O ATOM 442 OD2 ASP A 30 97.431 6.345 6.895 1.00 0.00 O ATOM 0 H ASP A 30 95.350 9.121 10.256 1.00 0.00 H new ATOM 0 HA ASP A 30 94.796 7.242 8.006 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.129 7.141 9.945 1.00 0.00 H new ATOM 0 HB3 ASP A 30 96.522 5.705 9.145 1.00 0.00 H new ATOM 447 N VAL A 31 93.217 6.230 9.647 1.00 0.00 N ATOM 448 CA VAL A 31 92.283 5.593 10.622 1.00 0.00 C ATOM 449 C VAL A 31 92.188 4.096 10.350 1.00 0.00 C ATOM 450 O VAL A 31 92.462 3.629 9.262 1.00 0.00 O ATOM 451 CB VAL A 31 90.903 6.229 10.482 1.00 0.00 C ATOM 452 CG1 VAL A 31 90.020 5.750 11.634 1.00 0.00 C ATOM 453 CG2 VAL A 31 91.037 7.759 10.532 1.00 0.00 C ATOM 0 H VAL A 31 92.912 6.199 8.674 1.00 0.00 H new ATOM 0 HA VAL A 31 92.657 5.745 11.634 1.00 0.00 H new ATOM 0 HB VAL A 31 90.455 5.941 9.531 1.00 0.00 H new ATOM 0 HG11 VAL A 31 89.030 6.198 11.545 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.931 4.664 11.597 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.468 6.045 12.583 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.052 8.214 10.432 1.00 0.00 H new ATOM 0 HG22 VAL A 31 91.478 8.055 11.484 1.00 0.00 H new ATOM 0 HG23 VAL A 31 91.676 8.095 9.716 1.00 0.00 H new ATOM 463 N THR A 32 91.800 3.343 11.347 1.00 0.00 N ATOM 464 CA THR A 32 91.675 1.860 11.191 1.00 0.00 C ATOM 465 C THR A 32 90.328 1.423 11.784 1.00 0.00 C ATOM 466 O THR A 32 89.966 1.823 12.873 1.00 0.00 O ATOM 467 CB THR A 32 92.840 1.172 11.946 1.00 0.00 C ATOM 468 OG1 THR A 32 93.610 2.165 12.609 1.00 0.00 O ATOM 469 CG2 THR A 32 93.750 0.397 10.980 1.00 0.00 C ATOM 0 H THR A 32 91.561 3.696 12.274 1.00 0.00 H new ATOM 0 HA THR A 32 91.720 1.578 10.139 1.00 0.00 H new ATOM 0 HB THR A 32 92.418 0.467 12.662 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.349 1.738 13.091 1.00 0.00 H new ATOM 0 HG21 THR A 32 94.558 -0.074 11.540 1.00 0.00 H new ATOM 0 HG22 THR A 32 93.168 -0.369 10.468 1.00 0.00 H new ATOM 0 HG23 THR A 32 94.171 1.084 10.246 1.00 0.00 H new ATOM 477 N LEU A 33 89.587 0.612 11.068 1.00 0.00 N ATOM 478 CA LEU A 33 88.250 0.153 11.557 1.00 0.00 C ATOM 479 C LEU A 33 88.258 -1.356 11.788 1.00 0.00 C ATOM 480 O LEU A 33 88.326 -2.130 10.863 1.00 0.00 O ATOM 481 CB LEU A 33 87.211 0.491 10.475 1.00 0.00 C ATOM 482 CG LEU A 33 86.663 1.916 10.663 1.00 0.00 C ATOM 483 CD1 LEU A 33 85.704 1.972 11.865 1.00 0.00 C ATOM 484 CD2 LEU A 33 87.822 2.896 10.877 1.00 0.00 C ATOM 0 H LEU A 33 89.856 0.245 10.155 1.00 0.00 H new ATOM 0 HA LEU A 33 88.011 0.647 12.498 1.00 0.00 H new ATOM 0 HB2 LEU A 33 87.665 0.399 9.488 1.00 0.00 H new ATOM 0 HB3 LEU A 33 86.391 -0.226 10.516 1.00 0.00 H new ATOM 0 HG LEU A 33 86.113 2.198 9.765 1.00 0.00 H new ATOM 0 HD11 LEU A 33 85.327 2.988 11.982 1.00 0.00 H new ATOM 0 HD12 LEU A 33 84.869 1.292 11.696 1.00 0.00 H new ATOM 0 HD13 LEU A 33 86.236 1.676 12.769 1.00 0.00 H new ATOM 0 HD21 LEU A 33 87.427 3.903 11.009 1.00 0.00 H new ATOM 0 HD22 LEU A 33 88.384 2.607 11.765 1.00 0.00 H new ATOM 0 HD23 LEU A 33 88.481 2.876 10.009 1.00 0.00 H new ATOM 496 N ARG A 34 88.145 -1.762 13.019 1.00 0.00 N ATOM 497 CA ARG A 34 88.117 -3.209 13.345 1.00 0.00 C ATOM 498 C ARG A 34 86.920 -3.849 12.652 1.00 0.00 C ATOM 499 O ARG A 34 85.782 -3.615 13.007 1.00 0.00 O ATOM 500 CB ARG A 34 87.977 -3.378 14.858 1.00 0.00 C ATOM 501 CG ARG A 34 88.165 -4.852 15.229 1.00 0.00 C ATOM 502 CD ARG A 34 89.612 -5.297 14.965 1.00 0.00 C ATOM 503 NE ARG A 34 89.989 -6.352 15.949 1.00 0.00 N ATOM 504 CZ ARG A 34 90.383 -6.016 17.147 1.00 0.00 C ATOM 505 NH1 ARG A 34 90.712 -6.939 18.009 1.00 0.00 N ATOM 506 NH2 ARG A 34 90.450 -4.757 17.481 1.00 0.00 N ATOM 0 H ARG A 34 88.070 -1.141 13.825 1.00 0.00 H new ATOM 0 HA ARG A 34 89.037 -3.686 13.007 1.00 0.00 H new ATOM 0 HB2 ARG A 34 88.717 -2.766 15.373 1.00 0.00 H new ATOM 0 HB3 ARG A 34 86.996 -3.033 15.184 1.00 0.00 H new ATOM 0 HG2 ARG A 34 87.919 -5.002 16.280 1.00 0.00 H new ATOM 0 HG3 ARG A 34 87.478 -5.469 14.650 1.00 0.00 H new ATOM 0 HD2 ARG A 34 89.707 -5.680 13.949 1.00 0.00 H new ATOM 0 HD3 ARG A 34 90.288 -4.446 15.050 1.00 0.00 H new ATOM 0 HE ARG A 34 89.939 -7.336 15.686 1.00 0.00 H new ATOM 0 HH11 ARG A 34 90.661 -7.923 17.746 1.00 0.00 H new ATOM 0 HH12 ARG A 34 91.020 -6.676 18.945 1.00 0.00 H new ATOM 0 HH21 ARG A 34 90.195 -4.036 16.806 1.00 0.00 H new ATOM 0 HH22 ARG A 34 90.758 -4.493 18.417 1.00 0.00 H new ATOM 520 N VAL A 35 87.177 -4.646 11.649 1.00 0.00 N ATOM 521 CA VAL A 35 86.071 -5.306 10.895 1.00 0.00 C ATOM 522 C VAL A 35 86.401 -6.772 10.653 1.00 0.00 C ATOM 523 O VAL A 35 87.342 -7.315 11.197 1.00 0.00 O ATOM 524 CB VAL A 35 85.901 -4.620 9.544 1.00 0.00 C ATOM 525 CG1 VAL A 35 85.324 -3.223 9.755 1.00 0.00 C ATOM 526 CG2 VAL A 35 87.259 -4.510 8.847 1.00 0.00 C ATOM 0 H VAL A 35 88.115 -4.870 11.317 1.00 0.00 H new ATOM 0 HA VAL A 35 85.154 -5.229 11.480 1.00 0.00 H new ATOM 0 HB VAL A 35 85.224 -5.206 8.923 1.00 0.00 H new ATOM 0 HG11 VAL A 35 85.202 -2.730 8.790 1.00 0.00 H new ATOM 0 HG12 VAL A 35 84.355 -3.300 10.249 1.00 0.00 H new ATOM 0 HG13 VAL A 35 86.003 -2.639 10.377 1.00 0.00 H new ATOM 0 HG21 VAL A 35 87.134 -4.019 7.882 1.00 0.00 H new ATOM 0 HG22 VAL A 35 87.939 -3.925 9.466 1.00 0.00 H new ATOM 0 HG23 VAL A 35 87.672 -5.507 8.696 1.00 0.00 H new ATOM 536 N THR A 36 85.623 -7.408 9.822 1.00 0.00 N ATOM 537 CA THR A 36 85.847 -8.836 9.497 1.00 0.00 C ATOM 538 C THR A 36 85.500 -9.019 8.024 1.00 0.00 C ATOM 539 O THR A 36 85.026 -8.108 7.375 1.00 0.00 O ATOM 540 CB THR A 36 84.921 -9.712 10.348 1.00 0.00 C ATOM 541 OG1 THR A 36 83.615 -9.157 10.335 1.00 0.00 O ATOM 542 CG2 THR A 36 85.418 -9.782 11.793 1.00 0.00 C ATOM 0 H THR A 36 84.826 -6.985 9.347 1.00 0.00 H new ATOM 0 HA THR A 36 86.879 -9.122 9.698 1.00 0.00 H new ATOM 0 HB THR A 36 84.911 -10.719 9.930 1.00 0.00 H new ATOM 0 HG1 THR A 36 83.106 -9.500 11.099 1.00 0.00 H new ATOM 0 HG21 THR A 36 84.746 -10.409 12.379 1.00 0.00 H new ATOM 0 HG22 THR A 36 86.421 -10.208 11.813 1.00 0.00 H new ATOM 0 HG23 THR A 36 85.442 -8.779 12.219 1.00 0.00 H new ATOM 550 N GLY A 37 85.723 -10.175 7.483 1.00 0.00 N ATOM 551 CA GLY A 37 85.396 -10.393 6.053 1.00 0.00 C ATOM 552 C GLY A 37 83.917 -10.694 5.909 1.00 0.00 C ATOM 553 O GLY A 37 83.508 -11.569 5.172 1.00 0.00 O ATOM 0 H GLY A 37 86.118 -10.981 7.968 1.00 0.00 H new ATOM 0 HA2 GLY A 37 85.656 -9.508 5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 37 85.986 -11.220 5.657 1.00 0.00 H new ATOM 557 N GLU A 38 83.110 -9.944 6.600 1.00 0.00 N ATOM 558 CA GLU A 38 81.638 -10.133 6.513 1.00 0.00 C ATOM 559 C GLU A 38 80.957 -8.767 6.640 1.00 0.00 C ATOM 560 O GLU A 38 79.746 -8.673 6.672 1.00 0.00 O ATOM 561 CB GLU A 38 81.160 -11.045 7.643 1.00 0.00 C ATOM 562 CG GLU A 38 81.734 -10.563 8.976 1.00 0.00 C ATOM 563 CD GLU A 38 80.906 -11.129 10.133 1.00 0.00 C ATOM 564 OE1 GLU A 38 81.500 -11.536 11.118 1.00 0.00 O ATOM 565 OE2 GLU A 38 79.692 -11.144 10.013 1.00 0.00 O ATOM 0 H GLU A 38 83.411 -9.199 7.229 1.00 0.00 H new ATOM 0 HA GLU A 38 81.385 -10.592 5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 38 80.071 -11.047 7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.473 -12.071 7.452 1.00 0.00 H new ATOM 0 HG2 GLU A 38 82.773 -10.880 9.071 1.00 0.00 H new ATOM 0 HG3 GLU A 38 81.729 -9.474 9.012 1.00 0.00 H new ATOM 572 N VAL A 39 81.722 -7.696 6.719 1.00 0.00 N ATOM 573 CA VAL A 39 81.095 -6.350 6.849 1.00 0.00 C ATOM 574 C VAL A 39 80.828 -5.761 5.467 1.00 0.00 C ATOM 575 O VAL A 39 81.606 -5.914 4.555 1.00 0.00 O ATOM 576 CB VAL A 39 82.013 -5.416 7.654 1.00 0.00 C ATOM 577 CG1 VAL A 39 82.593 -6.195 8.831 1.00 0.00 C ATOM 578 CG2 VAL A 39 83.160 -4.864 6.782 1.00 0.00 C ATOM 0 H VAL A 39 82.742 -7.703 6.699 1.00 0.00 H new ATOM 0 HA VAL A 39 80.147 -6.452 7.377 1.00 0.00 H new ATOM 0 HB VAL A 39 81.426 -4.568 8.008 1.00 0.00 H new ATOM 0 HG11 VAL A 39 83.247 -5.544 9.411 1.00 0.00 H new ATOM 0 HG12 VAL A 39 81.782 -6.553 9.465 1.00 0.00 H new ATOM 0 HG13 VAL A 39 83.165 -7.045 8.458 1.00 0.00 H new ATOM 0 HG21 VAL A 39 83.790 -4.207 7.382 1.00 0.00 H new ATOM 0 HG22 VAL A 39 83.758 -5.692 6.401 1.00 0.00 H new ATOM 0 HG23 VAL A 39 82.743 -4.302 5.946 1.00 0.00 H new ATOM 588 N HIS A 40 79.750 -5.065 5.310 1.00 0.00 N ATOM 589 CA HIS A 40 79.464 -4.449 3.984 1.00 0.00 C ATOM 590 C HIS A 40 80.292 -3.161 3.867 1.00 0.00 C ATOM 591 O HIS A 40 80.463 -2.439 4.828 1.00 0.00 O ATOM 592 CB HIS A 40 77.953 -4.144 3.852 1.00 0.00 C ATOM 593 CG HIS A 40 77.174 -4.958 4.852 1.00 0.00 C ATOM 594 ND1 HIS A 40 77.095 -4.606 6.191 1.00 0.00 N ATOM 595 CD2 HIS A 40 76.438 -6.110 4.724 1.00 0.00 C ATOM 596 CE1 HIS A 40 76.337 -5.530 6.809 1.00 0.00 C ATOM 597 NE2 HIS A 40 75.911 -6.469 5.961 1.00 0.00 N ATOM 0 H HIS A 40 79.053 -4.892 6.034 1.00 0.00 H new ATOM 0 HA HIS A 40 79.735 -5.135 3.181 1.00 0.00 H new ATOM 0 HB2 HIS A 40 77.772 -3.082 4.016 1.00 0.00 H new ATOM 0 HB3 HIS A 40 77.614 -4.373 2.842 1.00 0.00 H new ATOM 0 HD2 HIS A 40 76.290 -6.655 3.803 1.00 0.00 H new ATOM 0 HE1 HIS A 40 76.102 -5.514 7.863 1.00 0.00 H new ATOM 0 HE2 HIS A 40 75.325 -7.276 6.174 1.00 0.00 H new ATOM 605 N ILE A 41 80.816 -2.872 2.705 1.00 0.00 N ATOM 606 CA ILE A 41 81.637 -1.633 2.546 1.00 0.00 C ATOM 607 C ILE A 41 80.904 -0.452 3.176 1.00 0.00 C ATOM 608 O ILE A 41 81.404 0.203 4.068 1.00 0.00 O ATOM 609 CB ILE A 41 81.845 -1.337 1.062 1.00 0.00 C ATOM 610 CG1 ILE A 41 82.327 -2.601 0.343 1.00 0.00 C ATOM 611 CG2 ILE A 41 82.884 -0.224 0.894 1.00 0.00 C ATOM 612 CD1 ILE A 41 82.622 -2.283 -1.127 1.00 0.00 C ATOM 0 H ILE A 41 80.712 -3.437 1.862 1.00 0.00 H new ATOM 0 HA ILE A 41 82.600 -1.783 3.034 1.00 0.00 H new ATOM 0 HB ILE A 41 80.899 -1.014 0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 41 83.224 -2.986 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 41 81.568 -3.380 0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 41 83.028 -0.018 -0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 41 82.535 0.679 1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 41 83.830 -0.540 1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 41 82.964 -3.186 -1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 41 81.715 -1.918 -1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 41 83.397 -1.518 -1.185 1.00 0.00 H new ATOM 624 N GLY A 42 79.718 -0.181 2.715 1.00 0.00 N ATOM 625 CA GLY A 42 78.941 0.953 3.282 1.00 0.00 C ATOM 626 C GLY A 42 78.853 0.757 4.787 1.00 0.00 C ATOM 627 O GLY A 42 78.502 1.652 5.534 1.00 0.00 O ATOM 0 H GLY A 42 79.252 -0.697 1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 42 79.426 1.901 3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 42 77.944 0.989 2.843 1.00 0.00 H new ATOM 631 N GLY A 43 79.190 -0.417 5.232 1.00 0.00 N ATOM 632 CA GLY A 43 79.152 -0.705 6.689 1.00 0.00 C ATOM 633 C GLY A 43 80.313 0.024 7.362 1.00 0.00 C ATOM 634 O GLY A 43 80.247 0.399 8.514 1.00 0.00 O ATOM 0 H GLY A 43 79.492 -1.195 4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 43 78.203 -0.378 7.114 1.00 0.00 H new ATOM 0 HA3 GLY A 43 79.227 -1.778 6.864 1.00 0.00 H new ATOM 638 N VAL A 44 81.372 0.234 6.633 1.00 0.00 N ATOM 639 CA VAL A 44 82.554 0.948 7.189 1.00 0.00 C ATOM 640 C VAL A 44 82.276 2.457 7.130 1.00 0.00 C ATOM 641 O VAL A 44 82.652 3.200 8.016 1.00 0.00 O ATOM 642 CB VAL A 44 83.790 0.562 6.346 1.00 0.00 C ATOM 643 CG1 VAL A 44 84.853 1.668 6.389 1.00 0.00 C ATOM 644 CG2 VAL A 44 84.398 -0.734 6.894 1.00 0.00 C ATOM 0 H VAL A 44 81.470 -0.063 5.662 1.00 0.00 H new ATOM 0 HA VAL A 44 82.744 0.674 8.227 1.00 0.00 H new ATOM 0 HB VAL A 44 83.469 0.423 5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 44 85.712 1.371 5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 44 84.433 2.592 5.990 1.00 0.00 H new ATOM 0 HG13 VAL A 44 85.170 1.828 7.420 1.00 0.00 H new ATOM 0 HG21 VAL A 44 85.270 -1.007 6.300 1.00 0.00 H new ATOM 0 HG22 VAL A 44 84.698 -0.585 7.931 1.00 0.00 H new ATOM 0 HG23 VAL A 44 83.659 -1.533 6.842 1.00 0.00 H new ATOM 654 N MET A 45 81.595 2.914 6.109 1.00 0.00 N ATOM 655 CA MET A 45 81.270 4.370 6.022 1.00 0.00 C ATOM 656 C MET A 45 80.638 4.792 7.348 1.00 0.00 C ATOM 657 O MET A 45 80.857 5.880 7.847 1.00 0.00 O ATOM 658 CB MET A 45 80.241 4.606 4.902 1.00 0.00 C ATOM 659 CG MET A 45 80.904 4.575 3.516 1.00 0.00 C ATOM 660 SD MET A 45 79.877 5.498 2.332 1.00 0.00 S ATOM 661 CE MET A 45 78.540 4.288 2.103 1.00 0.00 C ATOM 0 H MET A 45 81.252 2.345 5.336 1.00 0.00 H new ATOM 0 HA MET A 45 82.175 4.941 5.815 1.00 0.00 H new ATOM 0 HB2 MET A 45 79.464 3.843 4.953 1.00 0.00 H new ATOM 0 HB3 MET A 45 79.752 5.569 5.052 1.00 0.00 H new ATOM 0 HG2 MET A 45 81.901 5.013 3.568 1.00 0.00 H new ATOM 0 HG3 MET A 45 81.026 3.545 3.182 1.00 0.00 H new ATOM 0 HE1 MET A 45 77.658 4.791 1.707 1.00 0.00 H new ATOM 0 HE2 MET A 45 78.863 3.517 1.403 1.00 0.00 H new ATOM 0 HE3 MET A 45 78.296 3.829 3.061 1.00 0.00 H new ATOM 671 N LEU A 46 79.840 3.928 7.907 1.00 0.00 N ATOM 672 CA LEU A 46 79.157 4.247 9.194 1.00 0.00 C ATOM 673 C LEU A 46 80.182 4.270 10.336 1.00 0.00 C ATOM 674 O LEU A 46 80.398 5.287 10.963 1.00 0.00 O ATOM 675 CB LEU A 46 78.071 3.169 9.449 1.00 0.00 C ATOM 676 CG LEU A 46 76.750 3.816 9.914 1.00 0.00 C ATOM 677 CD1 LEU A 46 75.621 2.769 9.919 1.00 0.00 C ATOM 678 CD2 LEU A 46 76.929 4.388 11.327 1.00 0.00 C ATOM 0 H LEU A 46 79.629 3.006 7.526 1.00 0.00 H new ATOM 0 HA LEU A 46 78.689 5.230 9.144 1.00 0.00 H new ATOM 0 HB2 LEU A 46 77.899 2.598 8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 46 78.422 2.466 10.204 1.00 0.00 H new ATOM 0 HG LEU A 46 76.485 4.619 9.226 1.00 0.00 H new ATOM 0 HD11 LEU A 46 74.693 3.236 10.249 1.00 0.00 H new ATOM 0 HD12 LEU A 46 75.489 2.371 8.913 1.00 0.00 H new ATOM 0 HD13 LEU A 46 75.880 1.958 10.599 1.00 0.00 H new ATOM 0 HD21 LEU A 46 75.996 4.845 11.655 1.00 0.00 H new ATOM 0 HD22 LEU A 46 77.201 3.585 12.013 1.00 0.00 H new ATOM 0 HD23 LEU A 46 77.718 5.140 11.318 1.00 0.00 H new ATOM 690 N LYS A 47 80.797 3.159 10.621 1.00 0.00 N ATOM 691 CA LYS A 47 81.784 3.120 11.738 1.00 0.00 C ATOM 692 C LYS A 47 82.854 4.211 11.578 1.00 0.00 C ATOM 693 O LYS A 47 83.072 5.005 12.469 1.00 0.00 O ATOM 694 CB LYS A 47 82.475 1.758 11.768 1.00 0.00 C ATOM 695 CG LYS A 47 81.436 0.632 11.703 1.00 0.00 C ATOM 696 CD LYS A 47 82.064 -0.685 12.203 1.00 0.00 C ATOM 697 CE LYS A 47 81.319 -1.887 11.611 1.00 0.00 C ATOM 698 NZ LYS A 47 81.563 -3.085 12.462 1.00 0.00 N ATOM 0 H LYS A 47 80.661 2.275 10.130 1.00 0.00 H new ATOM 0 HA LYS A 47 81.241 3.293 12.667 1.00 0.00 H new ATOM 0 HB2 LYS A 47 83.165 1.674 10.928 1.00 0.00 H new ATOM 0 HB3 LYS A 47 83.067 1.663 12.678 1.00 0.00 H new ATOM 0 HG2 LYS A 47 80.570 0.888 12.313 1.00 0.00 H new ATOM 0 HG3 LYS A 47 81.080 0.511 10.680 1.00 0.00 H new ATOM 0 HD2 LYS A 47 83.116 -0.725 11.920 1.00 0.00 H new ATOM 0 HD3 LYS A 47 82.025 -0.724 13.292 1.00 0.00 H new ATOM 0 HE2 LYS A 47 80.251 -1.677 11.557 1.00 0.00 H new ATOM 0 HE3 LYS A 47 81.659 -2.075 10.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 81.059 -3.903 12.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 82.583 -3.288 12.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 81.218 -2.902 13.426 1.00 0.00 H new ATOM 712 N LEU A 48 83.553 4.235 10.472 1.00 0.00 N ATOM 713 CA LEU A 48 84.635 5.251 10.296 1.00 0.00 C ATOM 714 C LEU A 48 84.139 6.636 10.736 1.00 0.00 C ATOM 715 O LEU A 48 84.887 7.429 11.274 1.00 0.00 O ATOM 716 CB LEU A 48 85.083 5.266 8.818 1.00 0.00 C ATOM 717 CG LEU A 48 86.073 6.417 8.519 1.00 0.00 C ATOM 718 CD1 LEU A 48 87.381 6.233 9.289 1.00 0.00 C ATOM 719 CD2 LEU A 48 86.395 6.414 7.023 1.00 0.00 C ATOM 0 H LEU A 48 83.422 3.598 9.686 1.00 0.00 H new ATOM 0 HA LEU A 48 85.490 4.989 10.920 1.00 0.00 H new ATOM 0 HB2 LEU A 48 85.552 4.313 8.572 1.00 0.00 H new ATOM 0 HB3 LEU A 48 84.208 5.366 8.176 1.00 0.00 H new ATOM 0 HG LEU A 48 85.611 7.356 8.823 1.00 0.00 H new ATOM 0 HD11 LEU A 48 88.057 7.056 9.059 1.00 0.00 H new ATOM 0 HD12 LEU A 48 87.175 6.221 10.359 1.00 0.00 H new ATOM 0 HD13 LEU A 48 87.845 5.291 8.998 1.00 0.00 H new ATOM 0 HD21 LEU A 48 87.092 7.221 6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 48 86.845 5.460 6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 48 85.477 6.559 6.453 1.00 0.00 H new ATOM 731 N VAL A 49 82.887 6.929 10.530 1.00 0.00 N ATOM 732 CA VAL A 49 82.357 8.258 10.957 1.00 0.00 C ATOM 733 C VAL A 49 82.059 8.220 12.457 1.00 0.00 C ATOM 734 O VAL A 49 82.354 9.148 13.183 1.00 0.00 O ATOM 735 CB VAL A 49 81.061 8.559 10.190 1.00 0.00 C ATOM 736 CG1 VAL A 49 80.268 9.674 10.888 1.00 0.00 C ATOM 737 CG2 VAL A 49 81.405 8.999 8.764 1.00 0.00 C ATOM 0 H VAL A 49 82.208 6.311 10.087 1.00 0.00 H new ATOM 0 HA VAL A 49 83.094 9.033 10.747 1.00 0.00 H new ATOM 0 HB VAL A 49 80.451 7.656 10.165 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.353 9.874 10.330 1.00 0.00 H new ATOM 0 HG12 VAL A 49 80.015 9.361 11.901 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.873 10.580 10.929 1.00 0.00 H new ATOM 0 HG21 VAL A 49 80.486 9.213 8.218 1.00 0.00 H new ATOM 0 HG22 VAL A 49 82.024 9.896 8.799 1.00 0.00 H new ATOM 0 HG23 VAL A 49 81.950 8.202 8.259 1.00 0.00 H new ATOM 747 N GLU A 50 81.447 7.161 12.912 1.00 0.00 N ATOM 748 CA GLU A 50 81.089 7.051 14.355 1.00 0.00 C ATOM 749 C GLU A 50 82.252 7.533 15.219 1.00 0.00 C ATOM 750 O GLU A 50 82.065 8.100 16.277 1.00 0.00 O ATOM 751 CB GLU A 50 80.797 5.586 14.677 1.00 0.00 C ATOM 752 CG GLU A 50 79.436 5.189 14.094 1.00 0.00 C ATOM 753 CD GLU A 50 78.320 5.887 14.873 1.00 0.00 C ATOM 754 OE1 GLU A 50 77.392 6.363 14.239 1.00 0.00 O ATOM 755 OE2 GLU A 50 78.413 5.936 16.088 1.00 0.00 O ATOM 0 H GLU A 50 81.177 6.360 12.341 1.00 0.00 H new ATOM 0 HA GLU A 50 80.213 7.666 14.562 1.00 0.00 H new ATOM 0 HB2 GLU A 50 81.580 4.950 14.264 1.00 0.00 H new ATOM 0 HB3 GLU A 50 80.799 5.434 15.756 1.00 0.00 H new ATOM 0 HG2 GLU A 50 79.386 5.465 13.041 1.00 0.00 H new ATOM 0 HG3 GLU A 50 79.308 4.108 14.146 1.00 0.00 H new ATOM 762 N LYS A 51 83.448 7.305 14.774 1.00 0.00 N ATOM 763 CA LYS A 51 84.635 7.735 15.556 1.00 0.00 C ATOM 764 C LYS A 51 84.957 9.207 15.274 1.00 0.00 C ATOM 765 O LYS A 51 85.316 9.953 16.164 1.00 0.00 O ATOM 766 CB LYS A 51 85.808 6.866 15.150 1.00 0.00 C ATOM 767 CG LYS A 51 85.329 5.414 15.095 1.00 0.00 C ATOM 768 CD LYS A 51 86.509 4.454 15.183 1.00 0.00 C ATOM 769 CE LYS A 51 87.385 4.593 13.945 1.00 0.00 C ATOM 770 NZ LYS A 51 88.564 3.690 14.074 1.00 0.00 N ATOM 0 H LYS A 51 83.659 6.835 13.894 1.00 0.00 H new ATOM 0 HA LYS A 51 84.434 7.629 16.622 1.00 0.00 H new ATOM 0 HB2 LYS A 51 86.193 7.177 14.179 1.00 0.00 H new ATOM 0 HB3 LYS A 51 86.624 6.970 15.865 1.00 0.00 H new ATOM 0 HG2 LYS A 51 84.636 5.223 15.915 1.00 0.00 H new ATOM 0 HG3 LYS A 51 84.782 5.241 14.168 1.00 0.00 H new ATOM 0 HD2 LYS A 51 87.094 4.664 16.078 1.00 0.00 H new ATOM 0 HD3 LYS A 51 86.149 3.429 15.271 1.00 0.00 H new ATOM 0 HE2 LYS A 51 86.815 4.340 13.051 1.00 0.00 H new ATOM 0 HE3 LYS A 51 87.714 5.626 13.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 89.353 4.066 13.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 88.849 3.631 15.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 88.314 2.741 13.729 1.00 0.00 H new ATOM 784 N LEU A 52 84.837 9.632 14.042 1.00 0.00 N ATOM 785 CA LEU A 52 85.138 11.046 13.707 1.00 0.00 C ATOM 786 C LEU A 52 84.368 11.957 14.661 1.00 0.00 C ATOM 787 O LEU A 52 84.942 12.719 15.410 1.00 0.00 O ATOM 788 CB LEU A 52 84.710 11.308 12.256 1.00 0.00 C ATOM 789 CG LEU A 52 85.476 12.513 11.694 1.00 0.00 C ATOM 790 CD1 LEU A 52 86.944 12.141 11.405 1.00 0.00 C ATOM 791 CD2 LEU A 52 84.800 12.992 10.399 1.00 0.00 C ATOM 0 H LEU A 52 84.542 9.054 13.255 1.00 0.00 H new ATOM 0 HA LEU A 52 86.204 11.247 13.809 1.00 0.00 H new ATOM 0 HB2 LEU A 52 84.904 10.426 11.646 1.00 0.00 H new ATOM 0 HB3 LEU A 52 83.637 11.496 12.213 1.00 0.00 H new ATOM 0 HG LEU A 52 85.461 13.312 12.435 1.00 0.00 H new ATOM 0 HD11 LEU A 52 87.468 13.010 11.007 1.00 0.00 H new ATOM 0 HD12 LEU A 52 87.426 11.818 12.328 1.00 0.00 H new ATOM 0 HD13 LEU A 52 86.977 11.332 10.675 1.00 0.00 H new ATOM 0 HD21 LEU A 52 85.344 13.848 10.000 1.00 0.00 H new ATOM 0 HD22 LEU A 52 84.805 12.185 9.666 1.00 0.00 H new ATOM 0 HD23 LEU A 52 83.771 13.283 10.612 1.00 0.00 H new ATOM 803 N ASP A 53 83.072 11.855 14.635 1.00 0.00 N ATOM 804 CA ASP A 53 82.210 12.668 15.533 1.00 0.00 C ATOM 805 C ASP A 53 82.266 14.132 15.138 1.00 0.00 C ATOM 806 O ASP A 53 82.948 14.934 15.744 1.00 0.00 O ATOM 807 CB ASP A 53 82.689 12.491 16.964 1.00 0.00 C ATOM 808 CG ASP A 53 81.557 12.816 17.944 1.00 0.00 C ATOM 809 OD1 ASP A 53 80.541 13.324 17.497 1.00 0.00 O ATOM 810 OD2 ASP A 53 81.726 12.551 19.123 1.00 0.00 O ATOM 0 H ASP A 53 82.562 11.227 14.014 1.00 0.00 H new ATOM 0 HA ASP A 53 81.176 12.334 15.447 1.00 0.00 H new ATOM 0 HB2 ASP A 53 83.030 11.467 17.117 1.00 0.00 H new ATOM 0 HB3 ASP A 53 83.542 13.143 17.153 1.00 0.00 H new ATOM 815 N VAL A 54 81.550 14.472 14.122 1.00 0.00 N ATOM 816 CA VAL A 54 81.542 15.877 13.651 1.00 0.00 C ATOM 817 C VAL A 54 80.505 16.027 12.548 1.00 0.00 C ATOM 818 O VAL A 54 80.330 15.145 11.732 1.00 0.00 O ATOM 819 CB VAL A 54 82.933 16.217 13.123 1.00 0.00 C ATOM 820 CG1 VAL A 54 83.371 15.140 12.136 1.00 0.00 C ATOM 821 CG2 VAL A 54 82.911 17.585 12.433 1.00 0.00 C ATOM 0 H VAL A 54 80.961 13.833 13.587 1.00 0.00 H new ATOM 0 HA VAL A 54 81.288 16.555 14.466 1.00 0.00 H new ATOM 0 HB VAL A 54 83.638 16.257 13.953 1.00 0.00 H new ATOM 0 HG11 VAL A 54 84.364 15.378 11.755 1.00 0.00 H new ATOM 0 HG12 VAL A 54 83.397 14.174 12.640 1.00 0.00 H new ATOM 0 HG13 VAL A 54 82.665 15.098 11.307 1.00 0.00 H new ATOM 0 HG21 VAL A 54 83.908 17.820 12.059 1.00 0.00 H new ATOM 0 HG22 VAL A 54 82.207 17.561 11.601 1.00 0.00 H new ATOM 0 HG23 VAL A 54 82.602 18.348 13.148 1.00 0.00 H new ATOM 831 N LYS A 55 79.804 17.129 12.510 1.00 0.00 N ATOM 832 CA LYS A 55 78.786 17.289 11.445 1.00 0.00 C ATOM 833 C LYS A 55 79.479 17.495 10.104 1.00 0.00 C ATOM 834 O LYS A 55 79.044 18.276 9.281 1.00 0.00 O ATOM 835 CB LYS A 55 77.851 18.463 11.735 1.00 0.00 C ATOM 836 CG LYS A 55 76.789 18.565 10.600 1.00 0.00 C ATOM 837 CD LYS A 55 75.380 18.817 11.176 1.00 0.00 C ATOM 838 CE LYS A 55 74.509 19.533 10.137 1.00 0.00 C ATOM 839 NZ LYS A 55 73.106 19.621 10.633 1.00 0.00 N ATOM 0 H LYS A 55 79.893 17.910 13.160 1.00 0.00 H new ATOM 0 HA LYS A 55 78.182 16.382 11.413 1.00 0.00 H new ATOM 0 HB2 LYS A 55 77.359 18.323 12.698 1.00 0.00 H new ATOM 0 HB3 LYS A 55 78.421 19.390 11.800 1.00 0.00 H new ATOM 0 HG2 LYS A 55 77.057 19.373 9.919 1.00 0.00 H new ATOM 0 HG3 LYS A 55 76.787 17.644 10.016 1.00 0.00 H new ATOM 0 HD2 LYS A 55 74.919 17.871 11.459 1.00 0.00 H new ATOM 0 HD3 LYS A 55 75.451 19.420 12.081 1.00 0.00 H new ATOM 0 HE2 LYS A 55 74.901 20.532 9.946 1.00 0.00 H new ATOM 0 HE3 LYS A 55 74.537 18.993 9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 72.472 19.129 9.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.041 19.176 11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 72.825 20.620 10.703 1.00 0.00 H new ATOM 853 N LYS A 56 80.548 16.782 9.865 1.00 0.00 N ATOM 854 CA LYS A 56 81.249 16.925 8.561 1.00 0.00 C ATOM 855 C LYS A 56 80.448 16.156 7.514 1.00 0.00 C ATOM 856 O LYS A 56 79.737 15.221 7.828 1.00 0.00 O ATOM 857 CB LYS A 56 82.669 16.349 8.664 1.00 0.00 C ATOM 858 CG LYS A 56 83.397 16.497 7.319 1.00 0.00 C ATOM 859 CD LYS A 56 84.825 15.927 7.424 1.00 0.00 C ATOM 860 CE LYS A 56 85.779 16.970 8.025 1.00 0.00 C ATOM 861 NZ LYS A 56 85.729 18.222 7.218 1.00 0.00 N ATOM 0 H LYS A 56 80.962 16.112 10.513 1.00 0.00 H new ATOM 0 HA LYS A 56 81.326 17.976 8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 56 83.224 16.867 9.446 1.00 0.00 H new ATOM 0 HB3 LYS A 56 82.624 15.298 8.948 1.00 0.00 H new ATOM 0 HG2 LYS A 56 82.845 15.974 6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 56 83.437 17.548 7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 56 84.820 15.030 8.044 1.00 0.00 H new ATOM 0 HD3 LYS A 56 85.178 15.630 6.436 1.00 0.00 H new ATOM 0 HE2 LYS A 56 85.499 17.180 9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 56 86.796 16.578 8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 86.656 18.693 7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 85.493 17.990 6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 85.004 18.857 7.608 1.00 0.00 H new ATOM 875 N ASP A 57 80.551 16.537 6.277 1.00 0.00 N ATOM 876 CA ASP A 57 79.794 15.830 5.214 1.00 0.00 C ATOM 877 C ASP A 57 80.587 14.605 4.799 1.00 0.00 C ATOM 878 O ASP A 57 81.425 14.651 3.920 1.00 0.00 O ATOM 879 CB ASP A 57 79.586 16.764 4.014 1.00 0.00 C ATOM 880 CG ASP A 57 80.764 17.734 3.906 1.00 0.00 C ATOM 881 OD1 ASP A 57 80.545 18.921 4.078 1.00 0.00 O ATOM 882 OD2 ASP A 57 81.865 17.272 3.655 1.00 0.00 O ATOM 0 H ASP A 57 81.130 17.312 5.954 1.00 0.00 H new ATOM 0 HA ASP A 57 78.815 15.527 5.584 1.00 0.00 H new ATOM 0 HB2 ASP A 57 79.498 16.180 3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 57 78.655 17.319 4.130 1.00 0.00 H new ATOM 887 N TRP A 58 80.323 13.510 5.432 1.00 0.00 N ATOM 888 CA TRP A 58 81.048 12.266 5.098 1.00 0.00 C ATOM 889 C TRP A 58 80.419 11.642 3.850 1.00 0.00 C ATOM 890 O TRP A 58 81.086 11.171 2.963 1.00 0.00 O ATOM 891 CB TRP A 58 80.913 11.268 6.254 1.00 0.00 C ATOM 892 CG TRP A 58 80.701 11.941 7.572 1.00 0.00 C ATOM 893 CD1 TRP A 58 81.578 12.748 8.219 1.00 0.00 C ATOM 894 CD2 TRP A 58 79.539 11.824 8.434 1.00 0.00 C ATOM 895 NE1 TRP A 58 81.018 13.126 9.434 1.00 0.00 N ATOM 896 CE2 TRP A 58 79.759 12.581 9.606 1.00 0.00 C ATOM 897 CE3 TRP A 58 78.321 11.132 8.306 1.00 0.00 C ATOM 898 CZ2 TRP A 58 78.802 12.646 10.622 1.00 0.00 C ATOM 899 CZ3 TRP A 58 77.358 11.194 9.326 1.00 0.00 C ATOM 900 CH2 TRP A 58 77.598 11.948 10.480 1.00 0.00 C ATOM 0 H TRP A 58 79.629 13.421 6.174 1.00 0.00 H new ATOM 0 HA TRP A 58 82.099 12.496 4.923 1.00 0.00 H new ATOM 0 HB2 TRP A 58 80.078 10.597 6.054 1.00 0.00 H new ATOM 0 HB3 TRP A 58 81.811 10.653 6.305 1.00 0.00 H new ATOM 0 HD1 TRP A 58 82.549 13.047 7.852 1.00 0.00 H new ATOM 0 HE1 TRP A 58 81.479 13.730 10.114 1.00 0.00 H new ATOM 0 HE3 TRP A 58 78.125 10.550 7.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 78.990 13.231 11.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 76.427 10.657 9.219 1.00 0.00 H new ATOM 0 HH2 TRP A 58 76.854 11.991 11.261 1.00 0.00 H new ATOM 911 N SER A 59 79.127 11.615 3.823 1.00 0.00 N ATOM 912 CA SER A 59 78.383 11.000 2.688 1.00 0.00 C ATOM 913 C SER A 59 79.048 11.326 1.351 1.00 0.00 C ATOM 914 O SER A 59 79.385 10.445 0.585 1.00 0.00 O ATOM 915 CB SER A 59 76.971 11.564 2.697 1.00 0.00 C ATOM 916 OG SER A 59 77.033 12.983 2.643 1.00 0.00 O ATOM 0 H SER A 59 78.533 12.002 4.557 1.00 0.00 H new ATOM 0 HA SER A 59 78.377 9.916 2.804 1.00 0.00 H new ATOM 0 HB2 SER A 59 76.408 11.180 1.846 1.00 0.00 H new ATOM 0 HB3 SER A 59 76.445 11.245 3.597 1.00 0.00 H new ATOM 0 HG SER A 59 76.329 13.319 2.050 1.00 0.00 H new ATOM 922 N ASP A 60 79.240 12.577 1.063 1.00 0.00 N ATOM 923 CA ASP A 60 79.882 12.952 -0.224 1.00 0.00 C ATOM 924 C ASP A 60 81.203 12.185 -0.381 1.00 0.00 C ATOM 925 O ASP A 60 81.838 12.231 -1.415 1.00 0.00 O ATOM 926 CB ASP A 60 80.151 14.457 -0.213 1.00 0.00 C ATOM 927 CG ASP A 60 81.025 14.841 -1.410 1.00 0.00 C ATOM 928 OD1 ASP A 60 80.817 14.279 -2.473 1.00 0.00 O ATOM 929 OD2 ASP A 60 81.884 15.690 -1.243 1.00 0.00 O ATOM 0 H ASP A 60 78.980 13.360 1.663 1.00 0.00 H new ATOM 0 HA ASP A 60 79.228 12.700 -1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 60 79.209 15.004 -0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 60 80.647 14.739 0.716 1.00 0.00 H new ATOM 934 N HIS A 61 81.624 11.493 0.648 1.00 0.00 N ATOM 935 CA HIS A 61 82.908 10.731 0.587 1.00 0.00 C ATOM 936 C HIS A 61 82.649 9.256 0.280 1.00 0.00 C ATOM 937 O HIS A 61 81.530 8.783 0.262 1.00 0.00 O ATOM 938 CB HIS A 61 83.647 10.875 1.948 1.00 0.00 C ATOM 939 CG HIS A 61 83.443 9.667 2.853 1.00 0.00 C ATOM 940 ND1 HIS A 61 82.595 9.694 3.951 1.00 0.00 N ATOM 941 CD2 HIS A 61 83.990 8.404 2.843 1.00 0.00 C ATOM 942 CE1 HIS A 61 82.653 8.489 4.543 1.00 0.00 C ATOM 943 NE2 HIS A 61 83.487 7.665 3.909 1.00 0.00 N ATOM 0 H HIS A 61 81.128 11.423 1.536 1.00 0.00 H new ATOM 0 HA HIS A 61 83.527 11.136 -0.213 1.00 0.00 H new ATOM 0 HB2 HIS A 61 84.713 11.013 1.766 1.00 0.00 H new ATOM 0 HB3 HIS A 61 83.292 11.771 2.458 1.00 0.00 H new ATOM 0 HD2 HIS A 61 84.702 8.041 2.117 1.00 0.00 H new ATOM 0 HE1 HIS A 61 82.092 8.221 5.426 1.00 0.00 H new ATOM 0 HE2 HIS A 61 83.709 6.700 4.153 1.00 0.00 H new ATOM 951 N ALA A 62 83.708 8.538 0.073 1.00 0.00 N ATOM 952 CA ALA A 62 83.615 7.085 -0.200 1.00 0.00 C ATOM 953 C ALA A 62 85.028 6.510 -0.098 1.00 0.00 C ATOM 954 O ALA A 62 86.005 7.243 -0.138 1.00 0.00 O ATOM 955 CB ALA A 62 83.039 6.849 -1.599 1.00 0.00 C ATOM 0 H ALA A 62 84.659 8.907 0.082 1.00 0.00 H new ATOM 0 HA ALA A 62 82.954 6.597 0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 62 82.975 5.778 -1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 62 82.044 7.289 -1.662 1.00 0.00 H new ATOM 0 HB3 ALA A 62 83.688 7.312 -2.342 1.00 0.00 H new ATOM 961 N LEU A 63 85.157 5.218 0.052 1.00 0.00 N ATOM 962 CA LEU A 63 86.521 4.619 0.172 1.00 0.00 C ATOM 963 C LEU A 63 86.990 4.147 -1.205 1.00 0.00 C ATOM 964 O LEU A 63 86.206 3.715 -2.027 1.00 0.00 O ATOM 965 CB LEU A 63 86.489 3.423 1.131 1.00 0.00 C ATOM 966 CG LEU A 63 85.904 3.823 2.497 1.00 0.00 C ATOM 967 CD1 LEU A 63 86.654 5.037 3.060 1.00 0.00 C ATOM 968 CD2 LEU A 63 84.395 4.146 2.381 1.00 0.00 C ATOM 0 H LEU A 63 84.383 4.555 0.097 1.00 0.00 H new ATOM 0 HA LEU A 63 87.207 5.372 0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 63 85.892 2.621 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 63 87.498 3.033 1.264 1.00 0.00 H new ATOM 0 HG LEU A 63 86.025 2.979 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 63 86.231 5.310 4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 63 87.708 4.789 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 63 86.557 5.876 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 63 84.006 4.426 3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 63 84.252 4.972 1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 63 83.862 3.268 2.016 1.00 0.00 H new ATOM 980 N TRP A 64 88.271 4.245 -1.462 1.00 0.00 N ATOM 981 CA TRP A 64 88.831 3.824 -2.791 1.00 0.00 C ATOM 982 C TRP A 64 90.003 2.855 -2.545 1.00 0.00 C ATOM 983 O TRP A 64 90.679 2.930 -1.540 1.00 0.00 O ATOM 984 CB TRP A 64 89.240 5.122 -3.558 1.00 0.00 C ATOM 985 CG TRP A 64 90.716 5.231 -3.826 1.00 0.00 C ATOM 986 CD1 TRP A 64 91.699 5.146 -2.899 1.00 0.00 C ATOM 987 CD2 TRP A 64 91.379 5.500 -5.097 1.00 0.00 C ATOM 988 NE1 TRP A 64 92.920 5.306 -3.528 1.00 0.00 N ATOM 989 CE2 TRP A 64 92.775 5.533 -4.881 1.00 0.00 C ATOM 990 CE3 TRP A 64 90.907 5.705 -6.407 1.00 0.00 C ATOM 991 CZ2 TRP A 64 93.674 5.764 -5.924 1.00 0.00 C ATOM 992 CZ3 TRP A 64 91.808 5.941 -7.460 1.00 0.00 C ATOM 993 CH2 TRP A 64 93.189 5.970 -7.218 1.00 0.00 C ATOM 0 H TRP A 64 88.963 4.602 -0.803 1.00 0.00 H new ATOM 0 HA TRP A 64 88.108 3.288 -3.406 1.00 0.00 H new ATOM 0 HB2 TRP A 64 88.705 5.156 -4.507 1.00 0.00 H new ATOM 0 HB3 TRP A 64 88.920 5.990 -2.981 1.00 0.00 H new ATOM 0 HD1 TRP A 64 91.553 4.980 -1.842 1.00 0.00 H new ATOM 0 HE1 TRP A 64 93.820 5.262 -3.049 1.00 0.00 H new ATOM 0 HE3 TRP A 64 89.846 5.681 -6.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 94.737 5.783 -5.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 91.435 6.101 -8.461 1.00 0.00 H new ATOM 0 HH2 TRP A 64 93.877 6.151 -8.031 1.00 0.00 H new ATOM 1004 N TRP A 65 90.220 1.918 -3.439 1.00 0.00 N ATOM 1005 CA TRP A 65 91.329 0.923 -3.250 1.00 0.00 C ATOM 1006 C TRP A 65 92.465 1.273 -4.212 1.00 0.00 C ATOM 1007 O TRP A 65 92.475 0.836 -5.339 1.00 0.00 O ATOM 1008 CB TRP A 65 90.797 -0.483 -3.568 1.00 0.00 C ATOM 1009 CG TRP A 65 91.704 -1.545 -3.011 1.00 0.00 C ATOM 1010 CD1 TRP A 65 92.933 -1.344 -2.470 1.00 0.00 C ATOM 1011 CD2 TRP A 65 91.466 -2.982 -2.945 1.00 0.00 C ATOM 1012 NE1 TRP A 65 93.457 -2.567 -2.085 1.00 0.00 N ATOM 1013 CE2 TRP A 65 92.591 -3.604 -2.354 1.00 0.00 C ATOM 1014 CE3 TRP A 65 90.393 -3.799 -3.340 1.00 0.00 C ATOM 1015 CZ2 TRP A 65 92.648 -4.985 -2.160 1.00 0.00 C ATOM 1016 CZ3 TRP A 65 90.448 -5.187 -3.150 1.00 0.00 C ATOM 1017 CH2 TRP A 65 91.572 -5.780 -2.560 1.00 0.00 C ATOM 0 H TRP A 65 89.676 1.798 -4.294 1.00 0.00 H new ATOM 0 HA TRP A 65 91.694 0.948 -2.223 1.00 0.00 H new ATOM 0 HB2 TRP A 65 89.797 -0.599 -3.151 1.00 0.00 H new ATOM 0 HB3 TRP A 65 90.708 -0.606 -4.647 1.00 0.00 H new ATOM 0 HD1 TRP A 65 93.422 -0.387 -2.358 1.00 0.00 H new ATOM 0 HE1 TRP A 65 94.374 -2.686 -1.654 1.00 0.00 H new ATOM 0 HE3 TRP A 65 89.519 -3.354 -3.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 93.517 -5.435 -1.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 89.618 -5.804 -3.461 1.00 0.00 H new ATOM 0 HH2 TRP A 65 91.606 -6.850 -2.415 1.00 0.00 H new ATOM 1028 N GLU A 66 93.408 2.076 -3.791 1.00 0.00 N ATOM 1029 CA GLU A 66 94.517 2.464 -4.713 1.00 0.00 C ATOM 1030 C GLU A 66 95.225 1.229 -5.270 1.00 0.00 C ATOM 1031 O GLU A 66 95.842 1.292 -6.309 1.00 0.00 O ATOM 1032 CB GLU A 66 95.525 3.355 -3.998 1.00 0.00 C ATOM 1033 CG GLU A 66 95.926 2.728 -2.671 1.00 0.00 C ATOM 1034 CD GLU A 66 96.766 3.722 -1.867 1.00 0.00 C ATOM 1035 OE1 GLU A 66 97.642 4.337 -2.452 1.00 0.00 O ATOM 1036 OE2 GLU A 66 96.518 3.852 -0.679 1.00 0.00 O ATOM 0 H GLU A 66 93.458 2.478 -2.855 1.00 0.00 H new ATOM 0 HA GLU A 66 94.078 3.019 -5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 66 96.406 3.496 -4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 66 95.094 4.342 -3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 66 95.037 2.448 -2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 66 96.494 1.814 -2.846 1.00 0.00 H new ATOM 1043 N LYS A 67 95.136 0.099 -4.626 1.00 0.00 N ATOM 1044 CA LYS A 67 95.798 -1.094 -5.211 1.00 0.00 C ATOM 1045 C LYS A 67 95.046 -1.389 -6.503 1.00 0.00 C ATOM 1046 O LYS A 67 95.492 -2.117 -7.368 1.00 0.00 O ATOM 1047 CB LYS A 67 95.666 -2.316 -4.307 1.00 0.00 C ATOM 1048 CG LYS A 67 96.528 -2.208 -3.026 1.00 0.00 C ATOM 1049 CD LYS A 67 96.707 -0.765 -2.547 1.00 0.00 C ATOM 1050 CE LYS A 67 97.445 -0.769 -1.207 1.00 0.00 C ATOM 1051 NZ LYS A 67 98.683 -1.592 -1.321 1.00 0.00 N ATOM 0 H LYS A 67 94.647 -0.047 -3.743 1.00 0.00 H new ATOM 0 HA LYS A 67 96.860 -0.896 -5.355 1.00 0.00 H new ATOM 0 HB2 LYS A 67 94.620 -2.444 -4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 67 95.958 -3.207 -4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 67 96.065 -2.794 -2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 67 97.508 -2.647 -3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 67 97.269 -0.191 -3.284 1.00 0.00 H new ATOM 0 HD3 LYS A 67 95.736 -0.281 -2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 67 97.699 0.251 -0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 67 96.800 -1.171 -0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 99.350 -1.322 -0.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 98.441 -2.599 -1.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 99.123 -1.431 -2.249 1.00 0.00 H new ATOM 1065 N LYS A 68 93.863 -0.827 -6.596 1.00 0.00 N ATOM 1066 CA LYS A 68 92.975 -1.041 -7.775 1.00 0.00 C ATOM 1067 C LYS A 68 92.564 0.313 -8.362 1.00 0.00 C ATOM 1068 O LYS A 68 91.982 0.382 -9.426 1.00 0.00 O ATOM 1069 CB LYS A 68 91.695 -1.785 -7.326 1.00 0.00 C ATOM 1070 CG LYS A 68 91.993 -2.779 -6.193 1.00 0.00 C ATOM 1071 CD LYS A 68 92.663 -4.031 -6.766 1.00 0.00 C ATOM 1072 CE LYS A 68 93.229 -4.890 -5.627 1.00 0.00 C ATOM 1073 NZ LYS A 68 93.274 -6.315 -6.058 1.00 0.00 N ATOM 0 H LYS A 68 93.470 -0.213 -5.882 1.00 0.00 H new ATOM 0 HA LYS A 68 93.511 -1.626 -8.522 1.00 0.00 H new ATOM 0 HB2 LYS A 68 90.951 -1.062 -6.992 1.00 0.00 H new ATOM 0 HB3 LYS A 68 91.265 -2.317 -8.175 1.00 0.00 H new ATOM 0 HG2 LYS A 68 92.643 -2.315 -5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 68 91.069 -3.051 -5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 68 91.941 -4.608 -7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 68 93.463 -3.745 -7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 68 94.229 -4.547 -5.361 1.00 0.00 H new ATOM 0 HE3 LYS A 68 92.609 -4.787 -4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 93.657 -6.899 -5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 92.313 -6.637 -6.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 93.883 -6.405 -6.896 1.00 0.00 H new ATOM 1087 N ARG A 69 92.817 1.385 -7.656 1.00 0.00 N ATOM 1088 CA ARG A 69 92.394 2.720 -8.155 1.00 0.00 C ATOM 1089 C ARG A 69 90.903 2.638 -8.460 1.00 0.00 C ATOM 1090 O ARG A 69 90.446 3.050 -9.507 1.00 0.00 O ATOM 1091 CB ARG A 69 93.158 3.100 -9.436 1.00 0.00 C ATOM 1092 CG ARG A 69 94.620 3.466 -9.117 1.00 0.00 C ATOM 1093 CD ARG A 69 95.477 2.201 -9.091 1.00 0.00 C ATOM 1094 NE ARG A 69 95.549 1.622 -10.462 1.00 0.00 N ATOM 1095 CZ ARG A 69 96.351 2.143 -11.349 1.00 0.00 C ATOM 1096 NH1 ARG A 69 96.415 1.635 -12.549 1.00 0.00 N ATOM 1097 NH2 ARG A 69 97.089 3.172 -11.036 1.00 0.00 N ATOM 0 H ARG A 69 93.298 1.390 -6.757 1.00 0.00 H new ATOM 0 HA ARG A 69 92.607 3.480 -7.404 1.00 0.00 H new ATOM 0 HB2 ARG A 69 93.133 2.268 -10.140 1.00 0.00 H new ATOM 0 HB3 ARG A 69 92.666 3.943 -9.921 1.00 0.00 H new ATOM 0 HG2 ARG A 69 95.002 4.160 -9.866 1.00 0.00 H new ATOM 0 HG3 ARG A 69 94.676 3.974 -8.154 1.00 0.00 H new ATOM 0 HD2 ARG A 69 96.479 2.435 -8.730 1.00 0.00 H new ATOM 0 HD3 ARG A 69 95.051 1.474 -8.400 1.00 0.00 H new ATOM 0 HE ARG A 69 94.971 0.818 -10.707 1.00 0.00 H new ATOM 0 HH11 ARG A 69 95.838 0.830 -12.794 1.00 0.00 H new ATOM 0 HH12 ARG A 69 97.042 2.043 -13.243 1.00 0.00 H new ATOM 0 HH21 ARG A 69 97.039 3.569 -10.098 1.00 0.00 H new ATOM 0 HH22 ARG A 69 97.716 3.580 -11.729 1.00 0.00 H new ATOM 1111 N THR A 70 90.146 2.074 -7.549 1.00 0.00 N ATOM 1112 CA THR A 70 88.677 1.915 -7.763 1.00 0.00 C ATOM 1113 C THR A 70 87.915 2.790 -6.782 1.00 0.00 C ATOM 1114 O THR A 70 88.488 3.557 -6.049 1.00 0.00 O ATOM 1115 CB THR A 70 88.309 0.444 -7.514 1.00 0.00 C ATOM 1116 OG1 THR A 70 87.037 0.170 -8.081 1.00 0.00 O ATOM 1117 CG2 THR A 70 88.279 0.132 -6.008 1.00 0.00 C ATOM 0 H THR A 70 90.489 1.714 -6.658 1.00 0.00 H new ATOM 0 HA THR A 70 88.417 2.209 -8.780 1.00 0.00 H new ATOM 0 HB THR A 70 89.067 -0.185 -7.982 1.00 0.00 H new ATOM 0 HG1 THR A 70 86.804 -0.769 -7.923 1.00 0.00 H new ATOM 0 HG21 THR A 70 88.016 -0.915 -5.859 1.00 0.00 H new ATOM 0 HG22 THR A 70 89.261 0.325 -5.577 1.00 0.00 H new ATOM 0 HG23 THR A 70 87.538 0.765 -5.520 1.00 0.00 H new ATOM 1125 N TRP A 71 86.623 2.625 -6.741 1.00 0.00 N ATOM 1126 CA TRP A 71 85.773 3.383 -5.783 1.00 0.00 C ATOM 1127 C TRP A 71 84.916 2.356 -5.048 1.00 0.00 C ATOM 1128 O TRP A 71 83.935 1.853 -5.548 1.00 0.00 O ATOM 1129 CB TRP A 71 84.904 4.417 -6.513 1.00 0.00 C ATOM 1130 CG TRP A 71 84.405 3.909 -7.831 1.00 0.00 C ATOM 1131 CD1 TRP A 71 84.309 2.611 -8.212 1.00 0.00 C ATOM 1132 CD2 TRP A 71 83.907 4.695 -8.952 1.00 0.00 C ATOM 1133 NE1 TRP A 71 83.776 2.559 -9.477 1.00 0.00 N ATOM 1134 CE2 TRP A 71 83.518 3.814 -9.984 1.00 0.00 C ATOM 1135 CE3 TRP A 71 83.759 6.077 -9.168 1.00 0.00 C ATOM 1136 CZ2 TRP A 71 82.997 4.284 -11.190 1.00 0.00 C ATOM 1137 CZ3 TRP A 71 83.236 6.555 -10.380 1.00 0.00 C ATOM 1138 CH2 TRP A 71 82.856 5.660 -11.390 1.00 0.00 C ATOM 0 H TRP A 71 86.110 1.982 -7.345 1.00 0.00 H new ATOM 0 HA TRP A 71 86.387 3.945 -5.079 1.00 0.00 H new ATOM 0 HB2 TRP A 71 84.055 4.684 -5.884 1.00 0.00 H new ATOM 0 HB3 TRP A 71 85.482 5.327 -6.672 1.00 0.00 H new ATOM 0 HD1 TRP A 71 84.603 1.758 -7.618 1.00 0.00 H new ATOM 0 HE1 TRP A 71 83.593 1.692 -9.982 1.00 0.00 H new ATOM 0 HE3 TRP A 71 84.050 6.775 -8.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 82.705 3.589 -11.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 83.126 7.618 -10.535 1.00 0.00 H new ATOM 0 HH2 TRP A 71 82.455 6.033 -12.321 1.00 0.00 H new ATOM 1149 N LEU A 72 85.318 2.004 -3.872 1.00 0.00 N ATOM 1150 CA LEU A 72 84.584 0.958 -3.122 1.00 0.00 C ATOM 1151 C LEU A 72 83.143 1.383 -2.878 1.00 0.00 C ATOM 1152 O LEU A 72 82.774 1.854 -1.821 1.00 0.00 O ATOM 1153 CB LEU A 72 85.305 0.722 -1.805 1.00 0.00 C ATOM 1154 CG LEU A 72 86.759 0.323 -2.098 1.00 0.00 C ATOM 1155 CD1 LEU A 72 87.588 0.446 -0.823 1.00 0.00 C ATOM 1156 CD2 LEU A 72 86.833 -1.120 -2.644 1.00 0.00 C ATOM 0 H LEU A 72 86.128 2.396 -3.392 1.00 0.00 H new ATOM 0 HA LEU A 72 84.558 0.035 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 72 85.278 1.624 -1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 72 84.806 -0.063 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 72 87.160 0.994 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 72 88.620 0.163 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 72 87.559 1.476 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 72 87.178 -0.213 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.872 -1.380 -2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 72 86.422 -1.810 -1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 72 86.257 -1.190 -3.567 1.00 0.00 H new ATOM 1168 N LEU A 73 82.327 1.174 -3.875 1.00 0.00 N ATOM 1169 CA LEU A 73 80.873 1.501 -3.786 1.00 0.00 C ATOM 1170 C LEU A 73 80.093 0.202 -3.963 1.00 0.00 C ATOM 1171 O LEU A 73 78.880 0.193 -4.038 1.00 0.00 O ATOM 1172 CB LEU A 73 80.480 2.506 -4.890 1.00 0.00 C ATOM 1173 CG LEU A 73 80.920 2.005 -6.298 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.762 1.285 -7.012 1.00 0.00 C ATOM 1175 CD2 LEU A 73 81.340 3.196 -7.169 1.00 0.00 C ATOM 0 H LEU A 73 82.614 0.780 -4.771 1.00 0.00 H new ATOM 0 HA LEU A 73 80.648 1.955 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 73 79.401 2.659 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 73 80.941 3.472 -4.685 1.00 0.00 H new ATOM 0 HG LEU A 73 81.753 1.316 -6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 73 80.095 0.945 -7.993 1.00 0.00 H new ATOM 0 HD12 LEU A 73 79.446 0.427 -6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.924 1.972 -7.131 1.00 0.00 H new ATOM 0 HD21 LEU A 73 81.646 2.838 -8.152 1.00 0.00 H new ATOM 0 HD22 LEU A 73 80.499 3.881 -7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 73 82.173 3.716 -6.697 1.00 0.00 H new ATOM 1187 N LYS A 74 80.791 -0.901 -4.032 1.00 0.00 N ATOM 1188 CA LYS A 74 80.110 -2.212 -4.204 1.00 0.00 C ATOM 1189 C LYS A 74 79.587 -2.677 -2.839 1.00 0.00 C ATOM 1190 O LYS A 74 79.894 -3.758 -2.377 1.00 0.00 O ATOM 1191 CB LYS A 74 81.113 -3.241 -4.771 1.00 0.00 C ATOM 1192 CG LYS A 74 81.105 -3.212 -6.309 1.00 0.00 C ATOM 1193 CD LYS A 74 81.492 -1.820 -6.826 1.00 0.00 C ATOM 1194 CE LYS A 74 82.906 -1.450 -6.362 1.00 0.00 C ATOM 1195 NZ LYS A 74 83.776 -2.660 -6.363 1.00 0.00 N ATOM 0 H LYS A 74 81.808 -0.947 -3.976 1.00 0.00 H new ATOM 0 HA LYS A 74 79.276 -2.116 -4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 74 82.115 -3.022 -4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 74 80.856 -4.240 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 74 81.802 -3.956 -6.696 1.00 0.00 H new ATOM 0 HG3 LYS A 74 80.115 -3.480 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 74 81.444 -1.803 -7.915 1.00 0.00 H new ATOM 0 HD3 LYS A 74 80.779 -1.080 -6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 74 83.326 -0.689 -7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 74 82.868 -1.020 -5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 84.774 -2.370 -6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 83.560 -3.244 -5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 83.602 -3.212 -7.227 1.00 0.00 H new ATOM 1209 N THR A 75 78.796 -1.866 -2.188 1.00 0.00 N ATOM 1210 CA THR A 75 78.254 -2.264 -0.856 1.00 0.00 C ATOM 1211 C THR A 75 77.699 -3.685 -0.943 1.00 0.00 C ATOM 1212 O THR A 75 77.622 -4.397 0.038 1.00 0.00 O ATOM 1213 CB THR A 75 77.129 -1.306 -0.458 1.00 0.00 C ATOM 1214 OG1 THR A 75 77.561 0.029 -0.665 1.00 0.00 O ATOM 1215 CG2 THR A 75 76.772 -1.504 1.018 1.00 0.00 C ATOM 0 H THR A 75 78.502 -0.947 -2.520 1.00 0.00 H new ATOM 0 HA THR A 75 79.048 -2.224 -0.111 1.00 0.00 H new ATOM 0 HB THR A 75 76.248 -1.509 -1.067 1.00 0.00 H new ATOM 0 HG1 THR A 75 77.536 0.517 0.185 1.00 0.00 H new ATOM 0 HG21 THR A 75 75.971 -0.819 1.294 1.00 0.00 H new ATOM 0 HG22 THR A 75 76.443 -2.531 1.178 1.00 0.00 H new ATOM 0 HG23 THR A 75 77.648 -1.304 1.634 1.00 0.00 H new ATOM 1223 N HIS A 76 77.315 -4.100 -2.117 1.00 0.00 N ATOM 1224 CA HIS A 76 76.768 -5.472 -2.278 1.00 0.00 C ATOM 1225 C HIS A 76 77.831 -6.494 -1.878 1.00 0.00 C ATOM 1226 O HIS A 76 79.011 -6.209 -1.876 1.00 0.00 O ATOM 1227 CB HIS A 76 76.375 -5.695 -3.740 1.00 0.00 C ATOM 1228 CG HIS A 76 75.177 -4.850 -4.074 1.00 0.00 C ATOM 1229 ND1 HIS A 76 74.804 -3.760 -3.302 1.00 0.00 N ATOM 1230 CD2 HIS A 76 74.259 -4.921 -5.092 1.00 0.00 C ATOM 1231 CE1 HIS A 76 73.705 -3.224 -3.864 1.00 0.00 C ATOM 1232 NE2 HIS A 76 73.330 -3.893 -4.958 1.00 0.00 N ATOM 0 H HIS A 76 77.357 -3.546 -2.973 1.00 0.00 H new ATOM 0 HA HIS A 76 75.891 -5.590 -1.642 1.00 0.00 H new ATOM 0 HB2 HIS A 76 77.208 -5.438 -4.394 1.00 0.00 H new ATOM 0 HB3 HIS A 76 76.149 -6.748 -3.910 1.00 0.00 H new ATOM 0 HD2 HIS A 76 74.258 -5.662 -5.878 1.00 0.00 H new ATOM 0 HE1 HIS A 76 73.189 -2.358 -3.477 1.00 0.00 H new ATOM 0 HE2 HIS A 76 72.534 -3.693 -5.564 1.00 0.00 H new ATOM 1240 N TRP A 77 77.413 -7.684 -1.542 1.00 0.00 N ATOM 1241 CA TRP A 77 78.368 -8.745 -1.147 1.00 0.00 C ATOM 1242 C TRP A 77 79.208 -8.278 0.030 1.00 0.00 C ATOM 1243 O TRP A 77 78.708 -7.682 0.964 1.00 0.00 O ATOM 1244 CB TRP A 77 79.285 -9.064 -2.309 1.00 0.00 C ATOM 1245 CG TRP A 77 78.490 -9.262 -3.549 1.00 0.00 C ATOM 1246 CD1 TRP A 77 78.362 -8.340 -4.521 1.00 0.00 C ATOM 1247 CD2 TRP A 77 77.720 -10.424 -3.977 1.00 0.00 C ATOM 1248 NE1 TRP A 77 77.567 -8.852 -5.519 1.00 0.00 N ATOM 1249 CE2 TRP A 77 77.143 -10.134 -5.234 1.00 0.00 C ATOM 1250 CE3 TRP A 77 77.468 -11.686 -3.407 1.00 0.00 C ATOM 1251 CZ2 TRP A 77 76.343 -11.060 -5.905 1.00 0.00 C ATOM 1252 CZ3 TRP A 77 76.662 -12.621 -4.080 1.00 0.00 C ATOM 1253 CH2 TRP A 77 76.102 -12.308 -5.327 1.00 0.00 C ATOM 0 H TRP A 77 76.433 -7.965 -1.526 1.00 0.00 H new ATOM 0 HA TRP A 77 77.806 -9.635 -0.863 1.00 0.00 H new ATOM 0 HB2 TRP A 77 79.999 -8.253 -2.452 1.00 0.00 H new ATOM 0 HB3 TRP A 77 79.862 -9.963 -2.091 1.00 0.00 H new ATOM 0 HD1 TRP A 77 78.811 -7.358 -4.518 1.00 0.00 H new ATOM 0 HE1 TRP A 77 77.320 -8.345 -6.369 1.00 0.00 H new ATOM 0 HE3 TRP A 77 77.896 -11.937 -2.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 75.913 -10.813 -6.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 76.473 -13.586 -3.634 1.00 0.00 H new ATOM 0 HH2 TRP A 77 75.485 -13.031 -5.840 1.00 0.00 H new ATOM 1264 N THR A 78 80.487 -8.558 0.011 1.00 0.00 N ATOM 1265 CA THR A 78 81.332 -8.126 1.172 1.00 0.00 C ATOM 1266 C THR A 78 82.806 -7.971 0.771 1.00 0.00 C ATOM 1267 O THR A 78 83.164 -7.895 -0.382 1.00 0.00 O ATOM 1268 CB THR A 78 81.182 -9.175 2.311 1.00 0.00 C ATOM 1269 OG1 THR A 78 80.217 -10.140 1.919 1.00 0.00 O ATOM 1270 CG2 THR A 78 80.724 -8.524 3.633 1.00 0.00 C ATOM 0 H THR A 78 80.975 -9.053 -0.735 1.00 0.00 H new ATOM 0 HA THR A 78 80.992 -7.149 1.516 1.00 0.00 H new ATOM 0 HB THR A 78 82.155 -9.636 2.479 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.115 -10.808 2.629 1.00 0.00 H new ATOM 0 HG21 THR A 78 80.631 -9.290 4.403 1.00 0.00 H new ATOM 0 HG22 THR A 78 81.458 -7.782 3.946 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.759 -8.040 3.485 1.00 0.00 H new ATOM 1278 N LEU A 79 83.655 -7.944 1.754 1.00 0.00 N ATOM 1279 CA LEU A 79 85.117 -7.826 1.505 1.00 0.00 C ATOM 1280 C LEU A 79 85.582 -9.162 0.948 1.00 0.00 C ATOM 1281 O LEU A 79 86.160 -9.263 -0.115 1.00 0.00 O ATOM 1282 CB LEU A 79 85.845 -7.615 2.834 1.00 0.00 C ATOM 1283 CG LEU A 79 85.607 -6.209 3.406 1.00 0.00 C ATOM 1284 CD1 LEU A 79 84.112 -5.914 3.474 1.00 0.00 C ATOM 1285 CD2 LEU A 79 86.196 -6.141 4.825 1.00 0.00 C ATOM 0 H LEU A 79 83.394 -8.000 2.739 1.00 0.00 H new ATOM 0 HA LEU A 79 85.320 -6.997 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.508 -8.361 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 79 86.914 -7.771 2.690 1.00 0.00 H new ATOM 0 HG LEU A 79 86.087 -5.474 2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 79 83.956 -4.915 3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 79 83.684 -5.969 2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 79 83.625 -6.647 4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 79 86.032 -5.146 5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 79 85.708 -6.883 5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 79 87.266 -6.346 4.785 1.00 0.00 H new ATOM 1297 N ASP A 80 85.317 -10.186 1.704 1.00 0.00 N ATOM 1298 CA ASP A 80 85.703 -11.564 1.318 1.00 0.00 C ATOM 1299 C ASP A 80 85.414 -11.824 -0.149 1.00 0.00 C ATOM 1300 O ASP A 80 86.243 -12.333 -0.877 1.00 0.00 O ATOM 1301 CB ASP A 80 84.863 -12.524 2.137 1.00 0.00 C ATOM 1302 CG ASP A 80 85.317 -13.962 1.881 1.00 0.00 C ATOM 1303 OD1 ASP A 80 86.469 -14.142 1.521 1.00 0.00 O ATOM 1304 OD2 ASP A 80 84.506 -14.857 2.049 1.00 0.00 O ATOM 0 H ASP A 80 84.834 -10.121 2.600 1.00 0.00 H new ATOM 0 HA ASP A 80 86.770 -11.697 1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 80 84.955 -12.288 3.197 1.00 0.00 H new ATOM 0 HB3 ASP A 80 83.811 -12.414 1.876 1.00 0.00 H new ATOM 1309 N LYS A 81 84.235 -11.511 -0.587 1.00 0.00 N ATOM 1310 CA LYS A 81 83.895 -11.780 -1.996 1.00 0.00 C ATOM 1311 C LYS A 81 84.918 -11.072 -2.885 1.00 0.00 C ATOM 1312 O LYS A 81 85.227 -11.519 -3.972 1.00 0.00 O ATOM 1313 CB LYS A 81 82.418 -11.360 -2.251 1.00 0.00 C ATOM 1314 CG LYS A 81 82.261 -10.420 -3.462 1.00 0.00 C ATOM 1315 CD LYS A 81 82.556 -8.981 -3.051 1.00 0.00 C ATOM 1316 CE LYS A 81 82.086 -8.021 -4.144 1.00 0.00 C ATOM 1317 NZ LYS A 81 82.165 -6.620 -3.644 1.00 0.00 N ATOM 0 H LYS A 81 83.496 -11.082 -0.030 1.00 0.00 H new ATOM 0 HA LYS A 81 83.952 -12.841 -2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 81 81.814 -12.253 -2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 81 82.028 -10.866 -1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 81 82.939 -10.725 -4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 81 81.249 -10.493 -3.860 1.00 0.00 H new ATOM 0 HD2 LYS A 81 82.052 -8.751 -2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 81 83.625 -8.855 -2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 81 82.705 -8.136 -5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 81 81.062 -8.257 -4.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 82.180 -5.964 -4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 81.337 -6.417 -3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 83.033 -6.500 -3.084 1.00 0.00 H new ATOM 1331 N TYR A 82 85.439 -9.975 -2.434 1.00 0.00 N ATOM 1332 CA TYR A 82 86.438 -9.233 -3.248 1.00 0.00 C ATOM 1333 C TYR A 82 87.814 -9.868 -3.033 1.00 0.00 C ATOM 1334 O TYR A 82 88.530 -10.161 -3.971 1.00 0.00 O ATOM 1335 CB TYR A 82 86.442 -7.760 -2.791 1.00 0.00 C ATOM 1336 CG TYR A 82 86.747 -6.825 -3.952 1.00 0.00 C ATOM 1337 CD1 TYR A 82 87.830 -7.080 -4.806 1.00 0.00 C ATOM 1338 CD2 TYR A 82 85.943 -5.696 -4.167 1.00 0.00 C ATOM 1339 CE1 TYR A 82 88.107 -6.209 -5.866 1.00 0.00 C ATOM 1340 CE2 TYR A 82 86.221 -4.827 -5.228 1.00 0.00 C ATOM 1341 CZ TYR A 82 87.303 -5.083 -6.078 1.00 0.00 C ATOM 1342 OH TYR A 82 87.577 -4.225 -7.123 1.00 0.00 O ATOM 0 H TYR A 82 85.217 -9.554 -1.532 1.00 0.00 H new ATOM 0 HA TYR A 82 86.190 -9.277 -4.309 1.00 0.00 H new ATOM 0 HB2 TYR A 82 85.473 -7.507 -2.362 1.00 0.00 H new ATOM 0 HB3 TYR A 82 87.184 -7.622 -2.005 1.00 0.00 H new ATOM 0 HD1 TYR A 82 88.451 -7.949 -4.646 1.00 0.00 H new ATOM 0 HD2 TYR A 82 85.108 -5.497 -3.512 1.00 0.00 H new ATOM 0 HE1 TYR A 82 88.942 -6.406 -6.521 1.00 0.00 H new ATOM 0 HE2 TYR A 82 85.600 -3.958 -5.391 1.00 0.00 H new ATOM 0 HH TYR A 82 86.922 -3.496 -7.128 1.00 0.00 H new ATOM 1352 N GLY A 83 88.182 -10.079 -1.797 1.00 0.00 N ATOM 1353 CA GLY A 83 89.515 -10.689 -1.483 1.00 0.00 C ATOM 1354 C GLY A 83 90.321 -9.679 -0.673 1.00 0.00 C ATOM 1355 O GLY A 83 91.490 -9.866 -0.398 1.00 0.00 O ATOM 0 H GLY A 83 87.613 -9.854 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.387 -11.613 -0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.041 -10.946 -2.402 1.00 0.00 H new ATOM 1359 N ILE A 84 89.688 -8.610 -0.284 1.00 0.00 N ATOM 1360 CA ILE A 84 90.378 -7.567 0.520 1.00 0.00 C ATOM 1361 C ILE A 84 90.856 -8.201 1.826 1.00 0.00 C ATOM 1362 O ILE A 84 90.373 -9.241 2.223 1.00 0.00 O ATOM 1363 CB ILE A 84 89.376 -6.442 0.814 1.00 0.00 C ATOM 1364 CG1 ILE A 84 89.001 -5.718 -0.492 1.00 0.00 C ATOM 1365 CG2 ILE A 84 89.987 -5.437 1.778 1.00 0.00 C ATOM 1366 CD1 ILE A 84 87.601 -5.106 -0.366 1.00 0.00 C ATOM 0 H ILE A 84 88.709 -8.412 -0.492 1.00 0.00 H new ATOM 0 HA ILE A 84 91.234 -7.159 -0.018 1.00 0.00 H new ATOM 0 HB ILE A 84 88.483 -6.880 1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 84 89.731 -4.937 -0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 84 89.027 -6.418 -1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 84 89.268 -4.643 1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 84 90.246 -5.938 2.711 1.00 0.00 H new ATOM 0 HG23 ILE A 84 90.886 -5.008 1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 84 87.342 -4.595 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 84 86.875 -5.895 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 84 87.589 -4.391 0.457 1.00 0.00 H new ATOM 1378 N GLN A 85 91.790 -7.589 2.508 1.00 0.00 N ATOM 1379 CA GLN A 85 92.272 -8.179 3.794 1.00 0.00 C ATOM 1380 C GLN A 85 92.865 -7.071 4.681 1.00 0.00 C ATOM 1381 O GLN A 85 92.634 -5.897 4.471 1.00 0.00 O ATOM 1382 CB GLN A 85 93.342 -9.258 3.525 1.00 0.00 C ATOM 1383 CG GLN A 85 93.221 -10.404 4.568 1.00 0.00 C ATOM 1384 CD GLN A 85 92.261 -11.472 4.047 1.00 0.00 C ATOM 1385 OE1 GLN A 85 92.556 -12.650 4.084 1.00 0.00 O ATOM 1386 NE2 GLN A 85 91.117 -11.096 3.561 1.00 0.00 N ATOM 0 H GLN A 85 92.237 -6.714 2.234 1.00 0.00 H new ATOM 0 HA GLN A 85 91.428 -8.643 4.305 1.00 0.00 H new ATOM 0 HB2 GLN A 85 93.221 -9.658 2.518 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.337 -8.815 3.574 1.00 0.00 H new ATOM 0 HG2 GLN A 85 94.201 -10.842 4.757 1.00 0.00 H new ATOM 0 HG3 GLN A 85 92.860 -10.009 5.518 1.00 0.00 H new ATOM 0 HE21 GLN A 85 90.876 -10.105 3.533 1.00 0.00 H new ATOM 0 HE22 GLN A 85 90.460 -11.791 3.207 1.00 0.00 H new ATOM 1395 N ALA A 86 93.625 -7.449 5.670 1.00 0.00 N ATOM 1396 CA ALA A 86 94.247 -6.453 6.591 1.00 0.00 C ATOM 1397 C ALA A 86 95.402 -5.727 5.903 1.00 0.00 C ATOM 1398 O ALA A 86 95.779 -4.635 6.280 1.00 0.00 O ATOM 1399 CB ALA A 86 94.794 -7.212 7.796 1.00 0.00 C ATOM 0 H ALA A 86 93.846 -8.422 5.884 1.00 0.00 H new ATOM 0 HA ALA A 86 93.501 -5.716 6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 86 95.256 -6.509 8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 86 93.979 -7.734 8.298 1.00 0.00 H new ATOM 0 HB3 ALA A 86 95.538 -7.936 7.463 1.00 0.00 H new ATOM 1405 N ASP A 87 95.980 -6.338 4.919 1.00 0.00 N ATOM 1406 CA ASP A 87 97.130 -5.712 4.219 1.00 0.00 C ATOM 1407 C ASP A 87 96.623 -4.767 3.141 1.00 0.00 C ATOM 1408 O ASP A 87 97.385 -4.182 2.396 1.00 0.00 O ATOM 1409 CB ASP A 87 97.953 -6.826 3.595 1.00 0.00 C ATOM 1410 CG ASP A 87 99.029 -6.241 2.677 1.00 0.00 C ATOM 1411 OD1 ASP A 87 99.874 -5.516 3.175 1.00 0.00 O ATOM 1412 OD2 ASP A 87 98.990 -6.529 1.492 1.00 0.00 O ATOM 0 H ASP A 87 95.705 -7.254 4.564 1.00 0.00 H new ATOM 0 HA ASP A 87 97.739 -5.138 4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 87 98.419 -7.425 4.377 1.00 0.00 H new ATOM 0 HB3 ASP A 87 97.304 -7.493 3.027 1.00 0.00 H new ATOM 1417 N ALA A 88 95.337 -4.615 3.053 1.00 0.00 N ATOM 1418 CA ALA A 88 94.758 -3.708 2.022 1.00 0.00 C ATOM 1419 C ALA A 88 94.587 -2.303 2.619 1.00 0.00 C ATOM 1420 O ALA A 88 93.779 -2.098 3.497 1.00 0.00 O ATOM 1421 CB ALA A 88 93.391 -4.268 1.605 1.00 0.00 C ATOM 0 H ALA A 88 94.655 -5.080 3.652 1.00 0.00 H new ATOM 0 HA ALA A 88 95.416 -3.645 1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 88 92.947 -3.619 0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 88 93.518 -5.270 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 88 92.736 -4.313 2.475 1.00 0.00 H new ATOM 1427 N LYS A 89 95.332 -1.333 2.150 1.00 0.00 N ATOM 1428 CA LYS A 89 95.193 0.055 2.700 1.00 0.00 C ATOM 1429 C LYS A 89 94.293 0.885 1.792 1.00 0.00 C ATOM 1430 O LYS A 89 94.586 1.124 0.637 1.00 0.00 O ATOM 1431 CB LYS A 89 96.566 0.728 2.816 1.00 0.00 C ATOM 1432 CG LYS A 89 97.625 -0.280 3.274 1.00 0.00 C ATOM 1433 CD LYS A 89 97.352 -0.744 4.711 1.00 0.00 C ATOM 1434 CE LYS A 89 98.159 -2.008 4.990 1.00 0.00 C ATOM 1435 NZ LYS A 89 99.613 -1.720 4.832 1.00 0.00 N ATOM 0 H LYS A 89 96.029 -1.439 1.413 1.00 0.00 H new ATOM 0 HA LYS A 89 94.748 -0.010 3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 89 96.852 1.151 1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 89 96.513 1.555 3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 89 97.629 -1.140 2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 89 98.614 0.174 3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 89 97.625 0.040 5.417 1.00 0.00 H new ATOM 0 HD3 LYS A 89 96.288 -0.939 4.847 1.00 0.00 H new ATOM 0 HE2 LYS A 89 97.957 -2.365 6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 89 97.859 -2.801 4.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 100.168 -2.505 5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 99.838 -1.614 3.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 99.849 -0.840 5.333 1.00 0.00 H new ATOM 1449 N LEU A 90 93.194 1.326 2.331 1.00 0.00 N ATOM 1450 CA LEU A 90 92.221 2.157 1.560 1.00 0.00 C ATOM 1451 C LEU A 90 92.371 3.610 1.992 1.00 0.00 C ATOM 1452 O LEU A 90 93.163 3.937 2.847 1.00 0.00 O ATOM 1453 CB LEU A 90 90.774 1.687 1.816 1.00 0.00 C ATOM 1454 CG LEU A 90 90.752 0.190 2.099 1.00 0.00 C ATOM 1455 CD1 LEU A 90 89.322 -0.247 2.422 1.00 0.00 C ATOM 1456 CD2 LEU A 90 91.256 -0.575 0.871 1.00 0.00 C ATOM 0 H LEU A 90 92.920 1.143 3.296 1.00 0.00 H new ATOM 0 HA LEU A 90 92.428 2.054 0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 90 90.351 2.231 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 90 90.152 1.910 0.949 1.00 0.00 H new ATOM 0 HG LEU A 90 91.399 -0.026 2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 90 89.306 -1.318 2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 90 88.966 0.294 3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 90 88.674 -0.028 1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.239 -1.645 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 90 90.612 -0.359 0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 90 92.276 -0.266 0.643 1.00 0.00 H new ATOM 1468 N GLN A 91 91.622 4.482 1.388 1.00 0.00 N ATOM 1469 CA GLN A 91 91.685 5.928 1.741 1.00 0.00 C ATOM 1470 C GLN A 91 90.252 6.423 1.938 1.00 0.00 C ATOM 1471 O GLN A 91 89.319 5.849 1.420 1.00 0.00 O ATOM 1472 CB GLN A 91 92.319 6.732 0.598 1.00 0.00 C ATOM 1473 CG GLN A 91 93.651 6.099 0.138 1.00 0.00 C ATOM 1474 CD GLN A 91 93.917 6.460 -1.318 1.00 0.00 C ATOM 1475 OE1 GLN A 91 94.788 5.896 -1.952 1.00 0.00 O ATOM 1476 NE2 GLN A 91 93.204 7.390 -1.869 1.00 0.00 N ATOM 0 H GLN A 91 90.956 4.253 0.651 1.00 0.00 H new ATOM 0 HA GLN A 91 92.284 6.058 2.643 1.00 0.00 H new ATOM 0 HB2 GLN A 91 91.627 6.780 -0.243 1.00 0.00 H new ATOM 0 HB3 GLN A 91 92.495 7.757 0.925 1.00 0.00 H new ATOM 0 HG2 GLN A 91 94.469 6.453 0.766 1.00 0.00 H new ATOM 0 HG3 GLN A 91 93.608 5.016 0.252 1.00 0.00 H new ATOM 0 HE21 GLN A 91 92.475 7.859 -1.332 1.00 0.00 H new ATOM 0 HE22 GLN A 91 93.372 7.653 -2.840 1.00 0.00 H new ATOM 1485 N PHE A 92 90.079 7.496 2.660 1.00 0.00 N ATOM 1486 CA PHE A 92 88.711 8.069 2.885 1.00 0.00 C ATOM 1487 C PHE A 92 88.754 9.510 2.386 1.00 0.00 C ATOM 1488 O PHE A 92 89.143 10.419 3.093 1.00 0.00 O ATOM 1489 CB PHE A 92 88.374 7.961 4.394 1.00 0.00 C ATOM 1490 CG PHE A 92 87.511 9.105 4.926 1.00 0.00 C ATOM 1491 CD1 PHE A 92 86.536 9.739 4.134 1.00 0.00 C ATOM 1492 CD2 PHE A 92 87.704 9.529 6.250 1.00 0.00 C ATOM 1493 CE1 PHE A 92 85.774 10.788 4.675 1.00 0.00 C ATOM 1494 CE2 PHE A 92 86.940 10.572 6.780 1.00 0.00 C ATOM 1495 CZ PHE A 92 85.977 11.201 5.993 1.00 0.00 C ATOM 0 H PHE A 92 90.835 8.011 3.112 1.00 0.00 H new ATOM 0 HA PHE A 92 87.928 7.535 2.347 1.00 0.00 H new ATOM 0 HB2 PHE A 92 87.858 7.018 4.573 1.00 0.00 H new ATOM 0 HB3 PHE A 92 89.304 7.928 4.961 1.00 0.00 H new ATOM 0 HD1 PHE A 92 86.374 9.421 3.115 1.00 0.00 H new ATOM 0 HD2 PHE A 92 88.449 9.045 6.864 1.00 0.00 H new ATOM 0 HE1 PHE A 92 85.027 11.278 4.068 1.00 0.00 H new ATOM 0 HE2 PHE A 92 87.096 10.891 7.800 1.00 0.00 H new ATOM 0 HZ PHE A 92 85.388 12.008 6.403 1.00 0.00 H new ATOM 1505 N THR A 93 88.376 9.704 1.144 1.00 0.00 N ATOM 1506 CA THR A 93 88.409 11.077 0.532 1.00 0.00 C ATOM 1507 C THR A 93 86.982 11.562 0.229 1.00 0.00 C ATOM 1508 O THR A 93 86.110 10.770 -0.066 1.00 0.00 O ATOM 1509 CB THR A 93 89.196 11.007 -0.781 1.00 0.00 C ATOM 1510 OG1 THR A 93 88.867 12.126 -1.592 1.00 0.00 O ATOM 1511 CG2 THR A 93 88.840 9.718 -1.522 1.00 0.00 C ATOM 0 H THR A 93 88.044 8.967 0.522 1.00 0.00 H new ATOM 0 HA THR A 93 88.880 11.770 1.229 1.00 0.00 H new ATOM 0 HB THR A 93 90.264 11.018 -0.564 1.00 0.00 H new ATOM 0 HG1 THR A 93 89.372 12.082 -2.431 1.00 0.00 H new ATOM 0 HG21 THR A 93 89.400 9.669 -2.456 1.00 0.00 H new ATOM 0 HG22 THR A 93 89.094 8.859 -0.901 1.00 0.00 H new ATOM 0 HG23 THR A 93 87.772 9.706 -1.738 1.00 0.00 H new ATOM 1642 N SER B 547 56.810 28.294 11.725 1.00 0.00 N ATOM 1643 CA SER B 547 56.346 27.255 12.684 1.00 0.00 C ATOM 1644 C SER B 547 57.488 26.956 13.654 1.00 0.00 C ATOM 1645 O SER B 547 58.562 26.601 13.243 1.00 0.00 O ATOM 1646 CB SER B 547 55.994 25.992 11.894 1.00 0.00 C ATOM 1647 OG SER B 547 54.629 26.048 11.503 1.00 0.00 O ATOM 0 HA SER B 547 55.471 27.595 13.238 1.00 0.00 H new ATOM 0 HB2 SER B 547 56.633 25.909 11.015 1.00 0.00 H new ATOM 0 HB3 SER B 547 56.174 25.106 12.503 1.00 0.00 H new ATOM 0 HG SER B 547 54.401 25.241 10.995 1.00 0.00 H new ATOM 1653 N LEU B 548 57.285 27.111 14.928 1.00 0.00 N ATOM 1654 CA LEU B 548 58.400 26.845 15.875 1.00 0.00 C ATOM 1655 C LEU B 548 58.865 25.399 15.758 1.00 0.00 C ATOM 1656 O LEU B 548 58.075 24.486 15.728 1.00 0.00 O ATOM 1657 CB LEU B 548 57.938 27.134 17.323 1.00 0.00 C ATOM 1658 CG LEU B 548 58.427 28.525 17.766 1.00 0.00 C ATOM 1659 CD1 LEU B 548 57.669 29.615 17.002 1.00 0.00 C ATOM 1660 CD2 LEU B 548 58.191 28.702 19.260 1.00 0.00 C ATOM 0 H LEU B 548 56.406 27.407 15.353 1.00 0.00 H new ATOM 0 HA LEU B 548 59.235 27.500 15.625 1.00 0.00 H new ATOM 0 HB2 LEU B 548 56.851 27.086 17.383 1.00 0.00 H new ATOM 0 HB3 LEU B 548 58.328 26.371 17.997 1.00 0.00 H new ATOM 0 HG LEU B 548 59.492 28.608 17.552 1.00 0.00 H new ATOM 0 HD11 LEU B 548 58.021 30.596 17.322 1.00 0.00 H new ATOM 0 HD12 LEU B 548 57.843 29.498 15.932 1.00 0.00 H new ATOM 0 HD13 LEU B 548 56.602 29.528 17.207 1.00 0.00 H new ATOM 0 HD21 LEU B 548 58.539 29.688 19.569 1.00 0.00 H new ATOM 0 HD22 LEU B 548 57.126 28.609 19.474 1.00 0.00 H new ATOM 0 HD23 LEU B 548 58.739 27.936 19.808 1.00 0.00 H new ATOM 1672 N CYS B 549 60.156 25.191 15.742 1.00 0.00 N ATOM 1673 CA CYS B 549 60.685 23.809 15.673 1.00 0.00 C ATOM 1674 C CYS B 549 60.690 23.306 17.111 1.00 0.00 C ATOM 1675 O CYS B 549 61.501 23.698 17.924 1.00 0.00 O ATOM 1676 CB CYS B 549 62.108 23.889 15.086 1.00 0.00 C ATOM 1677 SG CYS B 549 63.159 22.508 15.626 1.00 0.00 S ATOM 0 H CYS B 549 60.864 25.925 15.774 1.00 0.00 H new ATOM 0 HA CYS B 549 60.100 23.136 15.046 1.00 0.00 H new ATOM 0 HB2 CYS B 549 62.049 23.893 13.998 1.00 0.00 H new ATOM 0 HB3 CYS B 549 62.569 24.831 15.384 1.00 0.00 H new ATOM 0 HG CYS B 549 62.410 21.529 16.040 1.00 0.00 H new ATOM 1682 N SER B 550 59.735 22.478 17.434 1.00 0.00 N ATOM 1683 CA SER B 550 59.603 21.981 18.831 1.00 0.00 C ATOM 1684 C SER B 550 60.915 21.407 19.326 1.00 0.00 C ATOM 1685 O SER B 550 61.557 20.603 18.680 1.00 0.00 O ATOM 1686 CB SER B 550 58.483 20.949 18.923 1.00 0.00 C ATOM 1687 OG SER B 550 58.544 20.303 20.188 1.00 0.00 O ATOM 0 H SER B 550 59.035 22.122 16.783 1.00 0.00 H new ATOM 0 HA SER B 550 59.346 22.822 19.474 1.00 0.00 H new ATOM 0 HB2 SER B 550 57.515 21.433 18.795 1.00 0.00 H new ATOM 0 HB3 SER B 550 58.581 20.216 18.122 1.00 0.00 H new ATOM 0 HG SER B 550 57.657 20.316 20.605 1.00 0.00 H new ATOM 1693 N GLY B 551 61.326 21.863 20.472 1.00 0.00 N ATOM 1694 CA GLY B 551 62.620 21.416 21.057 1.00 0.00 C ATOM 1695 C GLY B 551 63.622 22.517 20.773 1.00 0.00 C ATOM 1696 O GLY B 551 64.603 22.699 21.465 1.00 0.00 O ATOM 0 H GLY B 551 60.813 22.538 21.039 1.00 0.00 H new ATOM 0 HA2 GLY B 551 62.523 21.246 22.129 1.00 0.00 H new ATOM 0 HA3 GLY B 551 62.942 20.474 20.613 1.00 0.00 H new ATOM 1700 N CYS B 552 63.351 23.256 19.737 1.00 0.00 N ATOM 1701 CA CYS B 552 64.220 24.375 19.325 1.00 0.00 C ATOM 1702 C CYS B 552 63.411 25.661 19.557 1.00 0.00 C ATOM 1703 O CYS B 552 63.940 26.705 19.869 1.00 0.00 O ATOM 1704 CB CYS B 552 64.517 24.133 17.847 1.00 0.00 C ATOM 1705 SG CYS B 552 66.106 24.804 17.354 1.00 0.00 S ATOM 0 H CYS B 552 62.533 23.120 19.143 1.00 0.00 H new ATOM 0 HA CYS B 552 65.159 24.457 19.873 1.00 0.00 H new ATOM 0 HB2 CYS B 552 64.499 23.062 17.646 1.00 0.00 H new ATOM 0 HB3 CYS B 552 63.731 24.584 17.242 1.00 0.00 H new ATOM 0 HG CYS B 552 66.628 24.051 16.432 1.00 0.00 H new ATOM 1710 N GLN B 553 62.111 25.544 19.437 1.00 0.00 N ATOM 1711 CA GLN B 553 61.175 26.682 19.660 1.00 0.00 C ATOM 1712 C GLN B 553 61.615 27.949 18.958 1.00 0.00 C ATOM 1713 O GLN B 553 61.748 29.006 19.541 1.00 0.00 O ATOM 1714 CB GLN B 553 60.973 26.928 21.143 1.00 0.00 C ATOM 1715 CG GLN B 553 60.304 25.695 21.749 1.00 0.00 C ATOM 1716 CD GLN B 553 58.864 25.553 21.249 1.00 0.00 C ATOM 1717 OE1 GLN B 553 57.930 25.971 21.905 1.00 0.00 O ATOM 1718 NE2 GLN B 553 58.652 24.973 20.101 1.00 0.00 N ATOM 0 H GLN B 553 61.647 24.672 19.184 1.00 0.00 H new ATOM 0 HA GLN B 553 60.221 26.396 19.217 1.00 0.00 H new ATOM 0 HB2 GLN B 553 61.930 27.118 21.630 1.00 0.00 H new ATOM 0 HB3 GLN B 553 60.354 27.811 21.300 1.00 0.00 H new ATOM 0 HG2 GLN B 553 60.873 24.803 21.489 1.00 0.00 H new ATOM 0 HG3 GLN B 553 60.310 25.771 22.836 1.00 0.00 H new ATOM 0 HE21 GLN B 553 59.438 24.623 19.553 1.00 0.00 H new ATOM 0 HE22 GLN B 553 57.700 24.869 19.750 1.00 0.00 H new ATOM 1727 N LYS B 554 61.764 27.835 17.686 1.00 0.00 N ATOM 1728 CA LYS B 554 62.118 29.005 16.822 1.00 0.00 C ATOM 1729 C LYS B 554 61.341 28.844 15.500 1.00 0.00 C ATOM 1730 O LYS B 554 61.427 27.801 14.881 1.00 0.00 O ATOM 1731 CB LYS B 554 63.613 29.027 16.522 1.00 0.00 C ATOM 1732 CG LYS B 554 64.412 29.280 17.804 1.00 0.00 C ATOM 1733 CD LYS B 554 64.146 30.699 18.333 1.00 0.00 C ATOM 1734 CE LYS B 554 65.313 31.152 19.217 1.00 0.00 C ATOM 1735 NZ LYS B 554 65.074 32.549 19.675 1.00 0.00 N ATOM 0 H LYS B 554 61.655 26.957 17.178 1.00 0.00 H new ATOM 0 HA LYS B 554 61.862 29.934 17.331 1.00 0.00 H new ATOM 0 HB2 LYS B 554 63.915 28.078 16.079 1.00 0.00 H new ATOM 0 HB3 LYS B 554 63.832 29.805 15.790 1.00 0.00 H new ATOM 0 HG2 LYS B 554 64.138 28.546 18.561 1.00 0.00 H new ATOM 0 HG3 LYS B 554 65.476 29.152 17.607 1.00 0.00 H new ATOM 0 HD2 LYS B 554 64.020 31.390 17.499 1.00 0.00 H new ATOM 0 HD3 LYS B 554 63.218 30.716 18.904 1.00 0.00 H new ATOM 0 HE2 LYS B 554 65.412 30.488 20.076 1.00 0.00 H new ATOM 0 HE3 LYS B 554 66.249 31.095 18.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 554 65.865 32.858 20.275 1.00 0.00 H new ATOM 0 HZ2 LYS B 554 65.000 33.177 18.849 1.00 0.00 H new ATOM 0 HZ3 LYS B 554 64.190 32.589 20.221 1.00 0.00 H new ATOM 1749 N PRO B 555 60.570 29.816 15.057 1.00 0.00 N ATOM 1750 CA PRO B 555 59.793 29.651 13.796 1.00 0.00 C ATOM 1751 C PRO B 555 60.577 29.025 12.643 1.00 0.00 C ATOM 1752 O PRO B 555 61.700 29.383 12.351 1.00 0.00 O ATOM 1753 CB PRO B 555 59.390 31.088 13.474 1.00 0.00 C ATOM 1754 CG PRO B 555 59.461 31.885 14.787 1.00 0.00 C ATOM 1755 CD PRO B 555 60.392 31.122 15.752 1.00 0.00 C ATOM 0 HA PRO B 555 58.962 28.958 13.925 1.00 0.00 H new ATOM 0 HB2 PRO B 555 60.058 31.517 12.727 1.00 0.00 H new ATOM 0 HB3 PRO B 555 58.383 31.121 13.058 1.00 0.00 H new ATOM 0 HG2 PRO B 555 59.841 32.890 14.604 1.00 0.00 H new ATOM 0 HG3 PRO B 555 58.467 31.995 15.222 1.00 0.00 H new ATOM 0 HD2 PRO B 555 61.341 31.639 15.895 1.00 0.00 H new ATOM 0 HD3 PRO B 555 59.944 31.000 16.738 1.00 0.00 H new ATOM 1763 N ILE B 556 59.949 28.094 11.985 1.00 0.00 N ATOM 1764 CA ILE B 556 60.572 27.405 10.829 1.00 0.00 C ATOM 1765 C ILE B 556 60.128 28.128 9.556 1.00 0.00 C ATOM 1766 O ILE B 556 59.036 27.919 9.067 1.00 0.00 O ATOM 1767 CB ILE B 556 60.064 25.963 10.808 1.00 0.00 C ATOM 1768 CG1 ILE B 556 60.599 25.194 12.041 1.00 0.00 C ATOM 1769 CG2 ILE B 556 60.541 25.279 9.534 1.00 0.00 C ATOM 1770 CD1 ILE B 556 59.661 24.020 12.400 1.00 0.00 C ATOM 0 H ILE B 556 59.006 27.776 12.208 1.00 0.00 H new ATOM 0 HA ILE B 556 61.660 27.411 10.898 1.00 0.00 H new ATOM 0 HB ILE B 556 58.974 25.966 10.837 1.00 0.00 H new ATOM 0 HG12 ILE B 556 61.600 24.816 11.834 1.00 0.00 H new ATOM 0 HG13 ILE B 556 60.683 25.872 12.890 1.00 0.00 H new ATOM 0 HG21 ILE B 556 60.180 24.251 9.516 1.00 0.00 H new ATOM 0 HG22 ILE B 556 60.154 25.814 8.667 1.00 0.00 H new ATOM 0 HG23 ILE B 556 61.631 25.282 9.506 1.00 0.00 H new ATOM 0 HD11 ILE B 556 60.055 23.492 13.269 1.00 0.00 H new ATOM 0 HD12 ILE B 556 58.667 24.405 12.629 1.00 0.00 H new ATOM 0 HD13 ILE B 556 59.599 23.333 11.556 1.00 0.00 H new ATOM 1782 N THR B 557 60.948 29.006 9.037 1.00 0.00 N ATOM 1783 CA THR B 557 60.556 29.783 7.817 1.00 0.00 C ATOM 1784 C THR B 557 61.195 29.195 6.558 1.00 0.00 C ATOM 1785 O THR B 557 62.285 29.557 6.161 1.00 0.00 O ATOM 1786 CB THR B 557 61.005 31.229 8.007 1.00 0.00 C ATOM 1787 OG1 THR B 557 62.390 31.341 7.709 1.00 0.00 O ATOM 1788 CG2 THR B 557 60.755 31.632 9.461 1.00 0.00 C ATOM 0 H THR B 557 61.875 29.220 9.405 1.00 0.00 H new ATOM 0 HA THR B 557 59.475 29.733 7.689 1.00 0.00 H new ATOM 0 HB THR B 557 60.445 31.884 7.340 1.00 0.00 H new ATOM 0 HG1 THR B 557 62.545 31.089 6.775 1.00 0.00 H new ATOM 0 HG21 THR B 557 61.071 32.664 9.612 1.00 0.00 H new ATOM 0 HG22 THR B 557 59.692 31.542 9.686 1.00 0.00 H new ATOM 0 HG23 THR B 557 61.323 30.978 10.123 1.00 0.00 H new ATOM 1796 N GLY B 558 60.502 28.293 5.929 1.00 0.00 N ATOM 1797 CA GLY B 558 61.009 27.654 4.685 1.00 0.00 C ATOM 1798 C GLY B 558 60.336 26.295 4.560 1.00 0.00 C ATOM 1799 O GLY B 558 59.217 26.179 4.101 1.00 0.00 O ATOM 0 H GLY B 558 59.585 27.964 6.231 1.00 0.00 H new ATOM 0 HA2 GLY B 558 60.785 28.274 3.817 1.00 0.00 H new ATOM 0 HA3 GLY B 558 62.093 27.543 4.726 1.00 0.00 H new ATOM 1803 N ARG B 559 61.004 25.271 5.002 1.00 0.00 N ATOM 1804 CA ARG B 559 60.433 23.899 4.970 1.00 0.00 C ATOM 1805 C ARG B 559 60.166 23.488 6.409 1.00 0.00 C ATOM 1806 O ARG B 559 60.846 23.927 7.314 1.00 0.00 O ATOM 1807 CB ARG B 559 61.460 22.946 4.331 1.00 0.00 C ATOM 1808 CG ARG B 559 61.249 22.893 2.809 1.00 0.00 C ATOM 1809 CD ARG B 559 60.175 21.849 2.474 1.00 0.00 C ATOM 1810 NE ARG B 559 60.037 21.710 0.985 1.00 0.00 N ATOM 1811 CZ ARG B 559 59.728 22.726 0.223 1.00 0.00 C ATOM 1812 NH1 ARG B 559 59.738 22.588 -1.074 1.00 0.00 N ATOM 1813 NH2 ARG B 559 59.364 23.862 0.748 1.00 0.00 N ATOM 0 H ARG B 559 61.944 25.329 5.393 1.00 0.00 H new ATOM 0 HA ARG B 559 59.512 23.863 4.388 1.00 0.00 H new ATOM 0 HB2 ARG B 559 62.472 23.284 4.555 1.00 0.00 H new ATOM 0 HB3 ARG B 559 61.356 21.948 4.756 1.00 0.00 H new ATOM 0 HG2 ARG B 559 60.946 23.873 2.439 1.00 0.00 H new ATOM 0 HG3 ARG B 559 62.185 22.640 2.311 1.00 0.00 H new ATOM 0 HD2 ARG B 559 60.441 20.888 2.914 1.00 0.00 H new ATOM 0 HD3 ARG B 559 59.221 22.145 2.909 1.00 0.00 H new ATOM 0 HE ARG B 559 60.189 20.797 0.556 1.00 0.00 H new ATOM 0 HH11 ARG B 559 59.986 21.690 -1.489 1.00 0.00 H new ATOM 0 HH12 ARG B 559 59.498 23.378 -1.673 1.00 0.00 H new ATOM 0 HH21 ARG B 559 59.318 23.964 1.762 1.00 0.00 H new ATOM 0 HH22 ARG B 559 59.125 24.649 0.145 1.00 0.00 H new ATOM 1827 N CYS B 560 59.189 22.655 6.645 1.00 0.00 N ATOM 1828 CA CYS B 560 58.913 22.239 8.053 1.00 0.00 C ATOM 1829 C CYS B 560 58.456 20.797 8.131 1.00 0.00 C ATOM 1830 O CYS B 560 57.502 20.385 7.502 1.00 0.00 O ATOM 1831 CB CYS B 560 57.849 23.141 8.676 1.00 0.00 C ATOM 1832 SG CYS B 560 56.341 23.083 7.677 1.00 0.00 S ATOM 0 H CYS B 560 58.577 22.249 5.937 1.00 0.00 H new ATOM 0 HA CYS B 560 59.847 22.334 8.608 1.00 0.00 H new ATOM 0 HB2 CYS B 560 57.635 22.817 9.695 1.00 0.00 H new ATOM 0 HB3 CYS B 560 58.217 24.165 8.738 1.00 0.00 H new ATOM 0 HG CYS B 560 56.211 21.899 7.156 1.00 0.00 H new ATOM 1838 N ILE B 561 59.131 20.038 8.943 1.00 0.00 N ATOM 1839 CA ILE B 561 58.767 18.623 9.141 1.00 0.00 C ATOM 1840 C ILE B 561 57.805 18.559 10.300 1.00 0.00 C ATOM 1841 O ILE B 561 57.893 19.322 11.241 1.00 0.00 O ATOM 1842 CB ILE B 561 60.023 17.835 9.481 1.00 0.00 C ATOM 1843 CG1 ILE B 561 60.945 17.923 8.281 1.00 0.00 C ATOM 1844 CG2 ILE B 561 59.693 16.362 9.774 1.00 0.00 C ATOM 1845 CD1 ILE B 561 62.190 17.080 8.523 1.00 0.00 C ATOM 0 H ILE B 561 59.935 20.351 9.486 1.00 0.00 H new ATOM 0 HA ILE B 561 58.312 18.205 8.243 1.00 0.00 H new ATOM 0 HB ILE B 561 60.491 18.249 10.374 1.00 0.00 H new ATOM 0 HG12 ILE B 561 60.427 17.575 7.387 1.00 0.00 H new ATOM 0 HG13 ILE B 561 61.227 18.961 8.103 1.00 0.00 H new ATOM 0 HG21 ILE B 561 60.610 15.824 10.014 1.00 0.00 H new ATOM 0 HG22 ILE B 561 59.007 16.304 10.619 1.00 0.00 H new ATOM 0 HG23 ILE B 561 59.227 15.912 8.897 1.00 0.00 H new ATOM 0 HD11 ILE B 561 62.849 17.147 7.657 1.00 0.00 H new ATOM 0 HD12 ILE B 561 62.713 17.448 9.406 1.00 0.00 H new ATOM 0 HD13 ILE B 561 61.901 16.041 8.679 1.00 0.00 H new ATOM 1857 N THR B 562 56.895 17.645 10.235 1.00 0.00 N ATOM 1858 CA THR B 562 55.895 17.483 11.330 1.00 0.00 C ATOM 1859 C THR B 562 56.022 16.092 11.912 1.00 0.00 C ATOM 1860 O THR B 562 56.355 15.141 11.232 1.00 0.00 O ATOM 1861 CB THR B 562 54.469 17.696 10.825 1.00 0.00 C ATOM 1862 OG1 THR B 562 54.418 18.864 10.018 1.00 0.00 O ATOM 1863 CG2 THR B 562 53.536 17.855 12.031 1.00 0.00 C ATOM 0 H THR B 562 56.792 16.988 9.461 1.00 0.00 H new ATOM 0 HA THR B 562 56.096 18.236 12.092 1.00 0.00 H new ATOM 0 HB THR B 562 54.155 16.840 10.227 1.00 0.00 H new ATOM 0 HG1 THR B 562 53.503 18.998 9.694 1.00 0.00 H new ATOM 0 HG21 THR B 562 52.514 18.008 11.683 1.00 0.00 H new ATOM 0 HG22 THR B 562 53.579 16.956 12.646 1.00 0.00 H new ATOM 0 HG23 THR B 562 53.850 18.715 12.623 1.00 0.00 H new ATOM 1871 N ALA B 563 55.784 15.986 13.180 1.00 0.00 N ATOM 1872 CA ALA B 563 55.903 14.688 13.885 1.00 0.00 C ATOM 1873 C ALA B 563 54.575 14.343 14.544 1.00 0.00 C ATOM 1874 O ALA B 563 53.531 14.373 13.923 1.00 0.00 O ATOM 1875 CB ALA B 563 56.997 14.819 14.934 1.00 0.00 C ATOM 0 H ALA B 563 55.504 16.766 13.775 1.00 0.00 H new ATOM 0 HA ALA B 563 56.156 13.892 13.185 1.00 0.00 H new ATOM 0 HB1 ALA B 563 57.104 13.875 15.468 1.00 0.00 H new ATOM 0 HB2 ALA B 563 57.940 15.070 14.447 1.00 0.00 H new ATOM 0 HB3 ALA B 563 56.732 15.607 15.640 1.00 0.00 H new ATOM 1881 N MET B 564 54.613 14.016 15.798 1.00 0.00 N ATOM 1882 CA MET B 564 53.372 13.665 16.541 1.00 0.00 C ATOM 1883 C MET B 564 52.481 14.898 16.643 1.00 0.00 C ATOM 1884 O MET B 564 51.715 15.044 17.571 1.00 0.00 O ATOM 1885 CB MET B 564 53.772 13.212 17.939 1.00 0.00 C ATOM 1886 CG MET B 564 55.060 12.389 17.855 1.00 0.00 C ATOM 1887 SD MET B 564 55.240 11.385 19.351 1.00 0.00 S ATOM 1888 CE MET B 564 55.924 12.682 20.409 1.00 0.00 C ATOM 0 H MET B 564 55.467 13.975 16.354 1.00 0.00 H new ATOM 0 HA MET B 564 52.829 12.873 16.026 1.00 0.00 H new ATOM 0 HB2 MET B 564 53.921 14.077 18.585 1.00 0.00 H new ATOM 0 HB3 MET B 564 52.974 12.616 18.383 1.00 0.00 H new ATOM 0 HG2 MET B 564 55.036 11.747 16.975 1.00 0.00 H new ATOM 0 HG3 MET B 564 55.919 13.050 17.743 1.00 0.00 H new ATOM 0 HE1 MET B 564 55.918 12.347 21.446 1.00 0.00 H new ATOM 0 HE2 MET B 564 56.948 12.898 20.104 1.00 0.00 H new ATOM 0 HE3 MET B 564 55.319 13.584 20.316 1.00 0.00 H new ATOM 1898 N ALA B 565 52.641 15.772 15.694 1.00 0.00 N ATOM 1899 CA ALA B 565 51.907 17.070 15.608 1.00 0.00 C ATOM 1900 C ALA B 565 52.918 18.164 15.896 1.00 0.00 C ATOM 1901 O ALA B 565 52.658 19.336 15.714 1.00 0.00 O ATOM 1902 CB ALA B 565 50.745 17.179 16.600 1.00 0.00 C ATOM 0 H ALA B 565 53.294 15.630 14.923 1.00 0.00 H new ATOM 0 HA ALA B 565 51.464 17.155 14.616 1.00 0.00 H new ATOM 0 HB1 ALA B 565 50.256 18.146 16.483 1.00 0.00 H new ATOM 0 HB2 ALA B 565 50.026 16.383 16.407 1.00 0.00 H new ATOM 0 HB3 ALA B 565 51.125 17.085 17.617 1.00 0.00 H new ATOM 1908 N LYS B 566 54.093 17.781 16.329 1.00 0.00 N ATOM 1909 CA LYS B 566 55.140 18.796 16.607 1.00 0.00 C ATOM 1910 C LYS B 566 55.804 19.169 15.288 1.00 0.00 C ATOM 1911 O LYS B 566 55.726 18.440 14.328 1.00 0.00 O ATOM 1912 CB LYS B 566 56.192 18.200 17.555 1.00 0.00 C ATOM 1913 CG LYS B 566 55.877 18.585 19.003 1.00 0.00 C ATOM 1914 CD LYS B 566 56.661 17.676 19.961 1.00 0.00 C ATOM 1915 CE LYS B 566 55.857 16.401 20.248 1.00 0.00 C ATOM 1916 NZ LYS B 566 56.784 15.328 20.704 1.00 0.00 N ATOM 0 H LYS B 566 54.366 16.813 16.500 1.00 0.00 H new ATOM 0 HA LYS B 566 54.697 19.677 17.072 1.00 0.00 H new ATOM 0 HB2 LYS B 566 56.209 17.115 17.455 1.00 0.00 H new ATOM 0 HB3 LYS B 566 57.184 18.561 17.283 1.00 0.00 H new ATOM 0 HG2 LYS B 566 56.141 19.628 19.178 1.00 0.00 H new ATOM 0 HG3 LYS B 566 54.807 18.491 19.190 1.00 0.00 H new ATOM 0 HD2 LYS B 566 57.625 17.417 19.523 1.00 0.00 H new ATOM 0 HD3 LYS B 566 56.865 18.205 20.892 1.00 0.00 H new ATOM 0 HE2 LYS B 566 55.104 16.596 21.012 1.00 0.00 H new ATOM 0 HE3 LYS B 566 55.326 16.082 19.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 566 56.287 14.698 21.365 1.00 0.00 H new ATOM 0 HZ2 LYS B 566 57.111 14.780 19.883 1.00 0.00 H new ATOM 0 HZ3 LYS B 566 57.602 15.756 21.183 1.00 0.00 H new ATOM 1930 N LYS B 567 56.470 20.288 15.247 1.00 0.00 N ATOM 1931 CA LYS B 567 57.166 20.719 14.002 1.00 0.00 C ATOM 1932 C LYS B 567 58.653 20.446 14.197 1.00 0.00 C ATOM 1933 O LYS B 567 59.071 20.042 15.263 1.00 0.00 O ATOM 1934 CB LYS B 567 56.907 22.211 13.771 1.00 0.00 C ATOM 1935 CG LYS B 567 55.487 22.576 14.243 1.00 0.00 C ATOM 1936 CD LYS B 567 54.426 21.764 13.473 1.00 0.00 C ATOM 1937 CE LYS B 567 54.448 22.149 11.992 1.00 0.00 C ATOM 1938 NZ LYS B 567 53.157 21.756 11.361 1.00 0.00 N ATOM 0 H LYS B 567 56.563 20.931 16.033 1.00 0.00 H new ATOM 0 HA LYS B 567 56.802 20.176 13.130 1.00 0.00 H new ATOM 0 HB2 LYS B 567 57.643 22.805 14.312 1.00 0.00 H new ATOM 0 HB3 LYS B 567 57.021 22.449 12.713 1.00 0.00 H new ATOM 0 HG2 LYS B 567 55.394 22.383 15.312 1.00 0.00 H new ATOM 0 HG3 LYS B 567 55.313 23.642 14.095 1.00 0.00 H new ATOM 0 HD2 LYS B 567 54.621 20.697 13.583 1.00 0.00 H new ATOM 0 HD3 LYS B 567 53.437 21.952 13.892 1.00 0.00 H new ATOM 0 HE2 LYS B 567 54.606 23.222 11.886 1.00 0.00 H new ATOM 0 HE3 LYS B 567 55.278 21.653 11.488 1.00 0.00 H new ATOM 0 HZ1 LYS B 567 53.169 22.017 10.354 1.00 0.00 H new ATOM 0 HZ2 LYS B 567 53.025 20.728 11.451 1.00 0.00 H new ATOM 0 HZ3 LYS B 567 52.374 22.248 11.837 1.00 0.00 H new ATOM 1952 N PHE B 568 59.464 20.638 13.198 1.00 0.00 N ATOM 1953 CA PHE B 568 60.912 20.347 13.400 1.00 0.00 C ATOM 1954 C PHE B 568 61.736 21.069 12.349 1.00 0.00 C ATOM 1955 O PHE B 568 61.443 21.017 11.172 1.00 0.00 O ATOM 1956 CB PHE B 568 61.148 18.815 13.277 1.00 0.00 C ATOM 1957 CG PHE B 568 61.426 18.205 14.639 1.00 0.00 C ATOM 1958 CD1 PHE B 568 60.456 17.413 15.267 1.00 0.00 C ATOM 1959 CD2 PHE B 568 62.655 18.436 15.269 1.00 0.00 C ATOM 1960 CE1 PHE B 568 60.716 16.852 16.524 1.00 0.00 C ATOM 1961 CE2 PHE B 568 62.914 17.875 16.526 1.00 0.00 C ATOM 1962 CZ PHE B 568 61.945 17.084 17.153 1.00 0.00 C ATOM 0 H PHE B 568 59.200 20.975 12.272 1.00 0.00 H new ATOM 0 HA PHE B 568 61.214 20.690 14.390 1.00 0.00 H new ATOM 0 HB2 PHE B 568 60.273 18.341 12.833 1.00 0.00 H new ATOM 0 HB3 PHE B 568 61.988 18.624 12.609 1.00 0.00 H new ATOM 0 HD1 PHE B 568 59.508 17.235 14.782 1.00 0.00 H new ATOM 0 HD2 PHE B 568 63.403 19.047 14.786 1.00 0.00 H new ATOM 0 HE1 PHE B 568 59.969 16.241 17.008 1.00 0.00 H new ATOM 0 HE2 PHE B 568 63.862 18.053 17.012 1.00 0.00 H new ATOM 0 HZ PHE B 568 62.145 16.652 18.123 1.00 0.00 H new ATOM 1972 N HIS B 569 62.803 21.691 12.758 1.00 0.00 N ATOM 1973 CA HIS B 569 63.679 22.354 11.767 1.00 0.00 C ATOM 1974 C HIS B 569 64.062 21.257 10.764 1.00 0.00 C ATOM 1975 O HIS B 569 64.716 20.307 11.146 1.00 0.00 O ATOM 1976 CB HIS B 569 64.957 22.850 12.460 1.00 0.00 C ATOM 1977 CG HIS B 569 64.803 24.253 12.965 1.00 0.00 C ATOM 1978 ND1 HIS B 569 65.001 24.565 14.298 1.00 0.00 N ATOM 1979 CD2 HIS B 569 64.564 25.444 12.329 1.00 0.00 C ATOM 1980 CE1 HIS B 569 64.898 25.891 14.420 1.00 0.00 C ATOM 1981 NE2 HIS B 569 64.626 26.482 13.252 1.00 0.00 N ATOM 0 H HIS B 569 63.102 21.767 13.730 1.00 0.00 H new ATOM 0 HA HIS B 569 63.184 23.203 11.295 1.00 0.00 H new ATOM 0 HB2 HIS B 569 65.201 22.188 13.291 1.00 0.00 H new ATOM 0 HB3 HIS B 569 65.792 22.804 11.761 1.00 0.00 H new ATOM 0 HD1 HIS B 569 65.191 23.903 15.050 1.00 0.00 H new ATOM 0 HD2 HIS B 569 64.359 25.558 11.275 1.00 0.00 H new ATOM 0 HE1 HIS B 569 65.020 26.423 15.352 1.00 0.00 H new ATOM 1988 N PRO B 570 63.668 21.330 9.518 1.00 0.00 N ATOM 1989 CA PRO B 570 64.031 20.248 8.575 1.00 0.00 C ATOM 1990 C PRO B 570 65.521 19.901 8.695 1.00 0.00 C ATOM 1991 O PRO B 570 65.984 18.899 8.195 1.00 0.00 O ATOM 1992 CB PRO B 570 63.680 20.880 7.221 1.00 0.00 C ATOM 1993 CG PRO B 570 62.673 22.006 7.499 1.00 0.00 C ATOM 1994 CD PRO B 570 62.868 22.451 8.954 1.00 0.00 C ATOM 0 HA PRO B 570 63.518 19.302 8.747 1.00 0.00 H new ATOM 0 HB2 PRO B 570 64.573 21.273 6.735 1.00 0.00 H new ATOM 0 HB3 PRO B 570 63.252 20.137 6.548 1.00 0.00 H new ATOM 0 HG2 PRO B 570 62.835 22.841 6.818 1.00 0.00 H new ATOM 0 HG3 PRO B 570 61.653 21.656 7.339 1.00 0.00 H new ATOM 0 HD2 PRO B 570 63.395 23.403 9.022 1.00 0.00 H new ATOM 0 HD3 PRO B 570 61.918 22.575 9.473 1.00 0.00 H new ATOM 2002 N GLU B 571 66.268 20.737 9.377 1.00 0.00 N ATOM 2003 CA GLU B 571 67.727 20.490 9.549 1.00 0.00 C ATOM 2004 C GLU B 571 67.991 19.758 10.871 1.00 0.00 C ATOM 2005 O GLU B 571 68.649 18.742 10.923 1.00 0.00 O ATOM 2006 CB GLU B 571 68.450 21.841 9.585 1.00 0.00 C ATOM 2007 CG GLU B 571 67.768 22.797 8.614 1.00 0.00 C ATOM 2008 CD GLU B 571 68.628 24.049 8.435 1.00 0.00 C ATOM 2009 OE1 GLU B 571 69.841 23.916 8.437 1.00 0.00 O ATOM 2010 OE2 GLU B 571 68.059 25.120 8.298 1.00 0.00 O ATOM 0 H GLU B 571 65.922 21.586 9.824 1.00 0.00 H new ATOM 0 HA GLU B 571 68.087 19.878 8.722 1.00 0.00 H new ATOM 0 HB2 GLU B 571 68.429 22.252 10.594 1.00 0.00 H new ATOM 0 HB3 GLU B 571 69.498 21.714 9.314 1.00 0.00 H new ATOM 0 HG2 GLU B 571 67.617 22.307 7.652 1.00 0.00 H new ATOM 0 HG3 GLU B 571 66.783 23.072 8.990 1.00 0.00 H new ATOM 2017 N HIS B 572 67.488 20.282 11.944 1.00 0.00 N ATOM 2018 CA HIS B 572 67.726 19.630 13.266 1.00 0.00 C ATOM 2019 C HIS B 572 67.149 18.215 13.257 1.00 0.00 C ATOM 2020 O HIS B 572 67.320 17.460 14.194 1.00 0.00 O ATOM 2021 CB HIS B 572 67.112 20.495 14.379 1.00 0.00 C ATOM 2022 CG HIS B 572 67.635 21.905 14.190 1.00 0.00 C ATOM 2023 ND1 HIS B 572 67.029 23.071 14.697 1.00 0.00 N ATOM 2024 CD2 HIS B 572 68.758 22.347 13.523 1.00 0.00 C ATOM 2025 CE1 HIS B 572 67.798 24.111 14.318 1.00 0.00 C ATOM 2026 NE2 HIS B 572 68.853 23.727 13.607 1.00 0.00 N ATOM 0 H HIS B 572 66.923 21.131 11.971 1.00 0.00 H new ATOM 0 HA HIS B 572 68.796 19.546 13.457 1.00 0.00 H new ATOM 0 HB2 HIS B 572 66.024 20.478 14.324 1.00 0.00 H new ATOM 0 HB3 HIS B 572 67.387 20.111 15.361 1.00 0.00 H new ATOM 0 HD2 HIS B 572 69.462 21.709 13.009 1.00 0.00 H new ATOM 0 HE1 HIS B 572 67.581 25.140 14.564 1.00 0.00 H new ATOM 0 HE2 HIS B 572 69.579 24.322 13.208 1.00 0.00 H new ATOM 2033 N PHE B 573 66.502 17.837 12.182 1.00 0.00 N ATOM 2034 CA PHE B 573 65.946 16.452 12.066 1.00 0.00 C ATOM 2035 C PHE B 573 66.426 15.865 10.732 1.00 0.00 C ATOM 2036 O PHE B 573 65.645 15.466 9.891 1.00 0.00 O ATOM 2037 CB PHE B 573 64.421 16.517 12.092 1.00 0.00 C ATOM 2038 CG PHE B 573 63.851 15.152 12.412 1.00 0.00 C ATOM 2039 CD1 PHE B 573 63.938 14.647 13.716 1.00 0.00 C ATOM 2040 CD2 PHE B 573 63.236 14.393 11.408 1.00 0.00 C ATOM 2041 CE1 PHE B 573 63.410 13.385 14.015 1.00 0.00 C ATOM 2042 CE2 PHE B 573 62.708 13.131 11.708 1.00 0.00 C ATOM 2043 CZ PHE B 573 62.795 12.628 13.011 1.00 0.00 C ATOM 0 H PHE B 573 66.334 18.434 11.372 1.00 0.00 H new ATOM 0 HA PHE B 573 66.282 15.827 12.893 1.00 0.00 H new ATOM 0 HB2 PHE B 573 64.092 17.241 12.837 1.00 0.00 H new ATOM 0 HB3 PHE B 573 64.047 16.860 11.127 1.00 0.00 H new ATOM 0 HD1 PHE B 573 64.412 15.231 14.491 1.00 0.00 H new ATOM 0 HD2 PHE B 573 63.169 14.781 10.402 1.00 0.00 H new ATOM 0 HE1 PHE B 573 63.477 12.996 15.020 1.00 0.00 H new ATOM 0 HE2 PHE B 573 62.234 12.546 10.934 1.00 0.00 H new ATOM 0 HZ PHE B 573 62.387 11.655 13.242 1.00 0.00 H new ATOM 2053 N VAL B 574 67.718 15.848 10.534 1.00 0.00 N ATOM 2054 CA VAL B 574 68.301 15.333 9.258 1.00 0.00 C ATOM 2055 C VAL B 574 68.691 13.850 9.382 1.00 0.00 C ATOM 2056 O VAL B 574 68.575 13.242 10.427 1.00 0.00 O ATOM 2057 CB VAL B 574 69.574 16.119 8.935 1.00 0.00 C ATOM 2058 CG1 VAL B 574 69.220 17.563 8.523 1.00 0.00 C ATOM 2059 CG2 VAL B 574 70.484 16.118 10.173 1.00 0.00 C ATOM 0 H VAL B 574 68.405 16.174 11.213 1.00 0.00 H new ATOM 0 HA VAL B 574 67.550 15.447 8.476 1.00 0.00 H new ATOM 0 HB VAL B 574 70.096 15.650 8.101 1.00 0.00 H new ATOM 0 HG11 VAL B 574 70.134 18.111 8.296 1.00 0.00 H new ATOM 0 HG12 VAL B 574 68.580 17.543 7.641 1.00 0.00 H new ATOM 0 HG13 VAL B 574 68.695 18.056 9.341 1.00 0.00 H new ATOM 0 HG21 VAL B 574 71.395 16.675 9.955 1.00 0.00 H new ATOM 0 HG22 VAL B 574 69.963 16.586 11.008 1.00 0.00 H new ATOM 0 HG23 VAL B 574 70.741 15.092 10.435 1.00 0.00 H new ATOM 2069 N CYS B 575 69.180 13.286 8.306 1.00 0.00 N ATOM 2070 CA CYS B 575 69.622 11.855 8.308 1.00 0.00 C ATOM 2071 C CYS B 575 71.038 11.797 8.843 1.00 0.00 C ATOM 2072 O CYS B 575 71.838 12.659 8.536 1.00 0.00 O ATOM 2073 CB CYS B 575 69.590 11.322 6.861 1.00 0.00 C ATOM 2074 SG CYS B 575 71.123 10.453 6.426 1.00 0.00 S ATOM 0 H CYS B 575 69.294 13.763 7.412 1.00 0.00 H new ATOM 0 HA CYS B 575 68.965 11.248 8.931 1.00 0.00 H new ATOM 0 HB2 CYS B 575 68.743 10.646 6.742 1.00 0.00 H new ATOM 0 HB3 CYS B 575 69.435 12.152 6.172 1.00 0.00 H new ATOM 0 HG CYS B 575 71.105 10.148 5.163 1.00 0.00 H new ATOM 2079 N ALA B 576 71.396 10.792 9.613 1.00 0.00 N ATOM 2080 CA ALA B 576 72.812 10.776 10.079 1.00 0.00 C ATOM 2081 C ALA B 576 73.667 9.944 9.090 1.00 0.00 C ATOM 2082 O ALA B 576 74.151 8.876 9.396 1.00 0.00 O ATOM 2083 CB ALA B 576 72.836 10.120 11.478 1.00 0.00 C ATOM 0 H ALA B 576 70.802 10.023 9.923 1.00 0.00 H new ATOM 0 HA ALA B 576 73.219 11.786 10.127 1.00 0.00 H new ATOM 0 HB1 ALA B 576 73.860 10.092 11.849 1.00 0.00 H new ATOM 0 HB2 ALA B 576 72.217 10.700 12.163 1.00 0.00 H new ATOM 0 HB3 ALA B 576 72.447 9.104 11.410 1.00 0.00 H new ATOM 2089 N PHE B 577 73.939 10.540 7.955 1.00 0.00 N ATOM 2090 CA PHE B 577 74.860 9.991 6.898 1.00 0.00 C ATOM 2091 C PHE B 577 75.352 11.249 6.209 1.00 0.00 C ATOM 2092 O PHE B 577 76.523 11.529 6.056 1.00 0.00 O ATOM 2093 CB PHE B 577 74.132 9.075 5.899 1.00 0.00 C ATOM 2094 CG PHE B 577 75.104 8.514 4.867 1.00 0.00 C ATOM 2095 CD1 PHE B 577 75.966 7.450 5.191 1.00 0.00 C ATOM 2096 CD2 PHE B 577 75.127 9.049 3.571 1.00 0.00 C ATOM 2097 CE1 PHE B 577 76.838 6.933 4.226 1.00 0.00 C ATOM 2098 CE2 PHE B 577 76.003 8.529 2.609 1.00 0.00 C ATOM 2099 CZ PHE B 577 76.856 7.472 2.936 1.00 0.00 C ATOM 0 H PHE B 577 73.535 11.442 7.701 1.00 0.00 H new ATOM 0 HA PHE B 577 75.651 9.368 7.316 1.00 0.00 H new ATOM 0 HB2 PHE B 577 73.651 8.256 6.434 1.00 0.00 H new ATOM 0 HB3 PHE B 577 73.343 9.634 5.395 1.00 0.00 H new ATOM 0 HD1 PHE B 577 75.955 7.031 6.187 1.00 0.00 H new ATOM 0 HD2 PHE B 577 74.467 9.864 3.314 1.00 0.00 H new ATOM 0 HE1 PHE B 577 77.498 6.116 4.478 1.00 0.00 H new ATOM 0 HE2 PHE B 577 76.019 8.946 1.613 1.00 0.00 H new ATOM 0 HZ PHE B 577 77.529 7.071 2.193 1.00 0.00 H new ATOM 2109 N CYS B 578 74.360 12.028 5.843 1.00 0.00 N ATOM 2110 CA CYS B 578 74.540 13.348 5.197 1.00 0.00 C ATOM 2111 C CYS B 578 73.665 14.318 6.006 1.00 0.00 C ATOM 2112 O CYS B 578 72.539 14.606 5.667 1.00 0.00 O ATOM 2113 CB CYS B 578 74.060 13.287 3.741 1.00 0.00 C ATOM 2114 SG CYS B 578 72.299 12.862 3.686 1.00 0.00 S ATOM 0 H CYS B 578 73.381 11.776 5.980 1.00 0.00 H new ATOM 0 HA CYS B 578 75.584 13.660 5.183 1.00 0.00 H new ATOM 0 HB2 CYS B 578 74.226 14.248 3.254 1.00 0.00 H new ATOM 0 HB3 CYS B 578 74.639 12.546 3.189 1.00 0.00 H new ATOM 0 HG CYS B 578 71.659 13.548 4.586 1.00 0.00 H new ATOM 2119 N LEU B 579 74.167 14.756 7.115 1.00 0.00 N ATOM 2120 CA LEU B 579 73.395 15.646 8.027 1.00 0.00 C ATOM 2121 C LEU B 579 72.818 16.887 7.335 1.00 0.00 C ATOM 2122 O LEU B 579 72.430 17.817 8.016 1.00 0.00 O ATOM 2123 CB LEU B 579 74.326 16.091 9.145 1.00 0.00 C ATOM 2124 CG LEU B 579 74.719 14.865 10.007 1.00 0.00 C ATOM 2125 CD1 LEU B 579 76.079 15.090 10.655 1.00 0.00 C ATOM 2126 CD2 LEU B 579 73.683 14.636 11.112 1.00 0.00 C ATOM 0 H LEU B 579 75.107 14.531 7.442 1.00 0.00 H new ATOM 0 HA LEU B 579 72.543 15.076 8.398 1.00 0.00 H new ATOM 0 HB2 LEU B 579 75.219 16.556 8.726 1.00 0.00 H new ATOM 0 HB3 LEU B 579 73.836 16.842 9.764 1.00 0.00 H new ATOM 0 HG LEU B 579 74.760 13.993 9.355 1.00 0.00 H new ATOM 0 HD11 LEU B 579 76.343 14.221 11.258 1.00 0.00 H new ATOM 0 HD12 LEU B 579 76.832 15.236 9.880 1.00 0.00 H new ATOM 0 HD13 LEU B 579 76.037 15.974 11.291 1.00 0.00 H new ATOM 0 HD21 LEU B 579 73.973 13.771 11.709 1.00 0.00 H new ATOM 0 HD22 LEU B 579 73.632 15.518 11.751 1.00 0.00 H new ATOM 0 HD23 LEU B 579 72.706 14.456 10.663 1.00 0.00 H new ATOM 2138 N LYS B 580 72.752 16.967 6.018 1.00 0.00 N ATOM 2139 CA LYS B 580 72.194 18.233 5.430 1.00 0.00 C ATOM 2140 C LYS B 580 70.665 18.177 5.281 1.00 0.00 C ATOM 2141 O LYS B 580 70.004 19.171 5.507 1.00 0.00 O ATOM 2142 CB LYS B 580 72.865 18.499 4.049 1.00 0.00 C ATOM 2143 CG LYS B 580 72.084 17.889 2.856 1.00 0.00 C ATOM 2144 CD LYS B 580 72.188 16.360 2.884 1.00 0.00 C ATOM 2145 CE LYS B 580 71.026 15.742 2.106 1.00 0.00 C ATOM 2146 NZ LYS B 580 70.784 16.527 0.863 1.00 0.00 N ATOM 0 H LYS B 580 73.045 16.249 5.356 1.00 0.00 H new ATOM 0 HA LYS B 580 72.417 19.051 6.115 1.00 0.00 H new ATOM 0 HB2 LYS B 580 72.959 19.575 3.900 1.00 0.00 H new ATOM 0 HB3 LYS B 580 73.875 18.090 4.060 1.00 0.00 H new ATOM 0 HG2 LYS B 580 71.038 18.191 2.904 1.00 0.00 H new ATOM 0 HG3 LYS B 580 72.483 18.271 1.917 1.00 0.00 H new ATOM 0 HD2 LYS B 580 73.136 16.044 2.449 1.00 0.00 H new ATOM 0 HD3 LYS B 580 72.176 16.005 3.915 1.00 0.00 H new ATOM 0 HE2 LYS B 580 71.253 14.706 1.855 1.00 0.00 H new ATOM 0 HE3 LYS B 580 70.127 15.731 2.722 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 70.283 15.935 0.170 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 70.206 17.362 1.087 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 71.694 16.833 0.463 1.00 0.00 H new ATOM 2160 N GLN B 581 70.062 17.060 4.932 1.00 0.00 N ATOM 2161 CA GLN B 581 68.566 17.085 4.833 1.00 0.00 C ATOM 2162 C GLN B 581 67.894 15.715 4.899 1.00 0.00 C ATOM 2163 O GLN B 581 68.313 14.757 4.280 1.00 0.00 O ATOM 2164 CB GLN B 581 68.131 17.811 3.567 1.00 0.00 C ATOM 2165 CG GLN B 581 66.642 18.166 3.666 1.00 0.00 C ATOM 2166 CD GLN B 581 66.450 19.334 4.629 1.00 0.00 C ATOM 2167 OE1 GLN B 581 66.279 20.462 4.210 1.00 0.00 O ATOM 2168 NE2 GLN B 581 66.472 19.111 5.911 1.00 0.00 N ATOM 0 H GLN B 581 70.516 16.172 4.721 1.00 0.00 H new ATOM 0 HA GLN B 581 68.232 17.622 5.721 1.00 0.00 H new ATOM 0 HB2 GLN B 581 68.723 18.716 3.433 1.00 0.00 H new ATOM 0 HB3 GLN B 581 68.308 17.182 2.695 1.00 0.00 H new ATOM 0 HG2 GLN B 581 66.255 18.428 2.681 1.00 0.00 H new ATOM 0 HG3 GLN B 581 66.075 17.301 4.011 1.00 0.00 H new ATOM 0 HE21 GLN B 581 66.616 18.164 6.262 1.00 0.00 H new ATOM 0 HE22 GLN B 581 66.346 19.883 6.565 1.00 0.00 H new ATOM 2177 N LEU B 582 66.790 15.664 5.597 1.00 0.00 N ATOM 2178 CA LEU B 582 65.972 14.416 5.678 1.00 0.00 C ATOM 2179 C LEU B 582 64.494 14.784 5.510 1.00 0.00 C ATOM 2180 O LEU B 582 64.123 15.941 5.536 1.00 0.00 O ATOM 2181 CB LEU B 582 66.186 13.770 7.036 1.00 0.00 C ATOM 2182 CG LEU B 582 65.630 12.335 7.090 1.00 0.00 C ATOM 2183 CD1 LEU B 582 66.299 11.450 6.013 1.00 0.00 C ATOM 2184 CD2 LEU B 582 65.903 11.768 8.493 1.00 0.00 C ATOM 0 H LEU B 582 66.413 16.451 6.125 1.00 0.00 H new ATOM 0 HA LEU B 582 66.268 13.719 4.895 1.00 0.00 H new ATOM 0 HB2 LEU B 582 67.251 13.754 7.265 1.00 0.00 H new ATOM 0 HB3 LEU B 582 65.704 14.374 7.804 1.00 0.00 H new ATOM 0 HG LEU B 582 64.558 12.345 6.891 1.00 0.00 H new ATOM 0 HD11 LEU B 582 65.892 10.440 6.068 1.00 0.00 H new ATOM 0 HD12 LEU B 582 66.102 11.867 5.025 1.00 0.00 H new ATOM 0 HD13 LEU B 582 67.375 11.418 6.185 1.00 0.00 H new ATOM 0 HD21 LEU B 582 65.517 10.750 8.556 1.00 0.00 H new ATOM 0 HD22 LEU B 582 66.977 11.761 8.680 1.00 0.00 H new ATOM 0 HD23 LEU B 582 65.409 12.390 9.239 1.00 0.00 H new ATOM 2196 N ASN B 583 63.649 13.804 5.340 1.00 0.00 N ATOM 2197 CA ASN B 583 62.189 14.073 5.170 1.00 0.00 C ATOM 2198 C ASN B 583 61.398 12.981 5.888 1.00 0.00 C ATOM 2199 O ASN B 583 61.782 11.829 5.898 1.00 0.00 O ATOM 2200 CB ASN B 583 61.840 14.060 3.676 1.00 0.00 C ATOM 2201 CG ASN B 583 62.227 15.391 3.041 1.00 0.00 C ATOM 2202 OD1 ASN B 583 62.622 16.316 3.724 1.00 0.00 O ATOM 2203 ND2 ASN B 583 62.130 15.526 1.751 1.00 0.00 N ATOM 0 H ASN B 583 63.909 12.818 5.311 1.00 0.00 H new ATOM 0 HA ASN B 583 61.939 15.047 5.591 1.00 0.00 H new ATOM 0 HB2 ASN B 583 62.364 13.244 3.178 1.00 0.00 H new ATOM 0 HB3 ASN B 583 60.773 13.881 3.544 1.00 0.00 H new ATOM 0 HD21 ASN B 583 62.386 16.410 1.310 1.00 0.00 H new ATOM 0 HD22 ASN B 583 61.798 14.748 1.180 1.00 0.00 H new ATOM 2210 N LYS B 584 60.297 13.336 6.486 1.00 0.00 N ATOM 2211 CA LYS B 584 59.474 12.331 7.207 1.00 0.00 C ATOM 2212 C LYS B 584 58.935 11.302 6.220 1.00 0.00 C ATOM 2213 O LYS B 584 58.490 10.234 6.592 1.00 0.00 O ATOM 2214 CB LYS B 584 58.298 13.051 7.858 1.00 0.00 C ATOM 2215 CG LYS B 584 57.591 13.945 6.810 1.00 0.00 C ATOM 2216 CD LYS B 584 56.100 14.047 7.135 1.00 0.00 C ATOM 2217 CE LYS B 584 55.915 14.601 8.548 1.00 0.00 C ATOM 2218 NZ LYS B 584 54.503 15.042 8.723 1.00 0.00 N ATOM 0 H LYS B 584 59.930 14.287 6.506 1.00 0.00 H new ATOM 0 HA LYS B 584 60.082 11.827 7.958 1.00 0.00 H new ATOM 0 HB2 LYS B 584 57.594 12.325 8.265 1.00 0.00 H new ATOM 0 HB3 LYS B 584 58.648 13.659 8.693 1.00 0.00 H new ATOM 0 HG2 LYS B 584 58.040 14.938 6.804 1.00 0.00 H new ATOM 0 HG3 LYS B 584 57.727 13.528 5.812 1.00 0.00 H new ATOM 0 HD2 LYS B 584 55.604 14.695 6.412 1.00 0.00 H new ATOM 0 HD3 LYS B 584 55.633 13.065 7.055 1.00 0.00 H new ATOM 0 HE2 LYS B 584 56.164 13.838 9.286 1.00 0.00 H new ATOM 0 HE3 LYS B 584 56.593 15.438 8.714 1.00 0.00 H new ATOM 0 HZ1 LYS B 584 54.200 14.856 9.700 1.00 0.00 H new ATOM 0 HZ2 LYS B 584 54.430 16.060 8.526 1.00 0.00 H new ATOM 0 HZ3 LYS B 584 53.891 14.517 8.065 1.00 0.00 H new ATOM 2232 N GLY B 585 58.960 11.629 4.962 1.00 0.00 N ATOM 2233 CA GLY B 585 58.441 10.697 3.928 1.00 0.00 C ATOM 2234 C GLY B 585 59.564 9.793 3.462 1.00 0.00 C ATOM 2235 O GLY B 585 59.341 8.762 2.861 1.00 0.00 O ATOM 0 H GLY B 585 59.322 12.512 4.602 1.00 0.00 H new ATOM 0 HA2 GLY B 585 57.624 10.101 4.336 1.00 0.00 H new ATOM 0 HA3 GLY B 585 58.037 11.258 3.086 1.00 0.00 H new ATOM 2239 N THR B 586 60.775 10.180 3.739 1.00 0.00 N ATOM 2240 CA THR B 586 61.948 9.360 3.325 1.00 0.00 C ATOM 2241 C THR B 586 62.905 9.222 4.497 1.00 0.00 C ATOM 2242 O THR B 586 64.093 9.045 4.318 1.00 0.00 O ATOM 2243 CB THR B 586 62.661 10.047 2.161 1.00 0.00 C ATOM 2244 OG1 THR B 586 63.555 11.028 2.669 1.00 0.00 O ATOM 2245 CG2 THR B 586 61.619 10.714 1.264 1.00 0.00 C ATOM 0 H THR B 586 61.006 11.038 4.240 1.00 0.00 H new ATOM 0 HA THR B 586 61.612 8.371 3.012 1.00 0.00 H new ATOM 0 HB THR B 586 63.224 9.313 1.584 1.00 0.00 H new ATOM 0 HG1 THR B 586 64.015 11.469 1.924 1.00 0.00 H new ATOM 0 HG21 THR B 586 62.119 11.207 0.430 1.00 0.00 H new ATOM 0 HG22 THR B 586 60.932 9.959 0.881 1.00 0.00 H new ATOM 0 HG23 THR B 586 61.062 11.452 1.841 1.00 0.00 H new ATOM 2253 N PHE B 587 62.405 9.297 5.704 1.00 0.00 N ATOM 2254 CA PHE B 587 63.321 9.161 6.880 1.00 0.00 C ATOM 2255 C PHE B 587 63.443 7.686 7.258 1.00 0.00 C ATOM 2256 O PHE B 587 62.527 7.059 7.751 1.00 0.00 O ATOM 2257 CB PHE B 587 62.792 10.003 8.065 1.00 0.00 C ATOM 2258 CG PHE B 587 62.569 9.166 9.312 1.00 0.00 C ATOM 2259 CD1 PHE B 587 61.291 8.677 9.605 1.00 0.00 C ATOM 2260 CD2 PHE B 587 63.641 8.881 10.166 1.00 0.00 C ATOM 2261 CE1 PHE B 587 61.084 7.902 10.752 1.00 0.00 C ATOM 2262 CE2 PHE B 587 63.435 8.107 11.313 1.00 0.00 C ATOM 2263 CZ PHE B 587 62.156 7.617 11.607 1.00 0.00 C ATOM 0 H PHE B 587 61.420 9.444 5.926 1.00 0.00 H new ATOM 0 HA PHE B 587 64.312 9.535 6.622 1.00 0.00 H new ATOM 0 HB2 PHE B 587 63.502 10.800 8.287 1.00 0.00 H new ATOM 0 HB3 PHE B 587 61.855 10.481 7.779 1.00 0.00 H new ATOM 0 HD1 PHE B 587 60.464 8.898 8.946 1.00 0.00 H new ATOM 0 HD2 PHE B 587 64.627 9.259 9.939 1.00 0.00 H new ATOM 0 HE1 PHE B 587 60.098 7.524 10.978 1.00 0.00 H new ATOM 0 HE2 PHE B 587 64.262 7.887 11.972 1.00 0.00 H new ATOM 0 HZ PHE B 587 61.997 7.020 12.493 1.00 0.00 H new ATOM 2273 N LYS B 588 64.602 7.163 7.033 1.00 0.00 N ATOM 2274 CA LYS B 588 64.913 5.745 7.358 1.00 0.00 C ATOM 2275 C LYS B 588 65.738 5.753 8.648 1.00 0.00 C ATOM 2276 O LYS B 588 66.167 6.794 9.103 1.00 0.00 O ATOM 2277 CB LYS B 588 65.716 5.154 6.170 1.00 0.00 C ATOM 2278 CG LYS B 588 65.207 3.757 5.731 1.00 0.00 C ATOM 2279 CD LYS B 588 63.679 3.685 5.481 1.00 0.00 C ATOM 2280 CE LYS B 588 63.111 4.998 4.918 1.00 0.00 C ATOM 2281 NZ LYS B 588 61.893 4.697 4.115 1.00 0.00 N ATOM 0 H LYS B 588 65.382 7.676 6.621 1.00 0.00 H new ATOM 0 HA LYS B 588 64.021 5.137 7.508 1.00 0.00 H new ATOM 0 HB2 LYS B 588 65.658 5.838 5.323 1.00 0.00 H new ATOM 0 HB3 LYS B 588 66.767 5.080 6.450 1.00 0.00 H new ATOM 0 HG2 LYS B 588 65.727 3.464 4.819 1.00 0.00 H new ATOM 0 HG3 LYS B 588 65.473 3.029 6.497 1.00 0.00 H new ATOM 0 HD2 LYS B 588 63.466 2.873 4.786 1.00 0.00 H new ATOM 0 HD3 LYS B 588 63.172 3.445 6.416 1.00 0.00 H new ATOM 0 HE2 LYS B 588 62.866 5.681 5.731 1.00 0.00 H new ATOM 0 HE3 LYS B 588 63.857 5.495 4.298 1.00 0.00 H new ATOM 0 HZ1 LYS B 588 61.503 5.581 3.731 1.00 0.00 H new ATOM 0 HZ2 LYS B 588 62.142 4.059 3.332 1.00 0.00 H new ATOM 0 HZ3 LYS B 588 61.182 4.240 4.721 1.00 0.00 H new ATOM 2295 N GLU B 589 65.949 4.623 9.259 1.00 0.00 N ATOM 2296 CA GLU B 589 66.727 4.620 10.531 1.00 0.00 C ATOM 2297 C GLU B 589 67.446 3.291 10.722 1.00 0.00 C ATOM 2298 O GLU B 589 67.068 2.260 10.202 1.00 0.00 O ATOM 2299 CB GLU B 589 65.774 4.882 11.713 1.00 0.00 C ATOM 2300 CG GLU B 589 66.382 4.400 13.041 1.00 0.00 C ATOM 2301 CD GLU B 589 65.563 4.959 14.206 1.00 0.00 C ATOM 2302 OE1 GLU B 589 65.360 6.162 14.239 1.00 0.00 O ATOM 2303 OE2 GLU B 589 65.151 4.175 15.044 1.00 0.00 O ATOM 0 H GLU B 589 65.622 3.711 8.940 1.00 0.00 H new ATOM 0 HA GLU B 589 67.479 5.408 10.487 1.00 0.00 H new ATOM 0 HB2 GLU B 589 65.555 5.948 11.777 1.00 0.00 H new ATOM 0 HB3 GLU B 589 64.827 4.372 11.538 1.00 0.00 H new ATOM 0 HG2 GLU B 589 66.389 3.311 13.076 1.00 0.00 H new ATOM 0 HG3 GLU B 589 67.418 4.728 13.120 1.00 0.00 H new ATOM 2310 N GLN B 590 68.473 3.343 11.502 1.00 0.00 N ATOM 2311 CA GLN B 590 69.272 2.147 11.825 1.00 0.00 C ATOM 2312 C GLN B 590 70.005 2.461 13.123 1.00 0.00 C ATOM 2313 O GLN B 590 70.370 3.592 13.375 1.00 0.00 O ATOM 2314 CB GLN B 590 70.282 1.846 10.701 1.00 0.00 C ATOM 2315 CG GLN B 590 70.678 0.350 10.726 1.00 0.00 C ATOM 2316 CD GLN B 590 69.830 -0.446 9.726 1.00 0.00 C ATOM 2317 OE1 GLN B 590 68.655 -0.182 9.561 1.00 0.00 O ATOM 2318 NE2 GLN B 590 70.384 -1.415 9.048 1.00 0.00 N ATOM 0 H GLN B 590 68.804 4.199 11.946 1.00 0.00 H new ATOM 0 HA GLN B 590 68.636 1.268 11.928 1.00 0.00 H new ATOM 0 HB2 GLN B 590 69.847 2.099 9.734 1.00 0.00 H new ATOM 0 HB3 GLN B 590 71.169 2.467 10.823 1.00 0.00 H new ATOM 0 HG2 GLN B 590 71.735 0.243 10.482 1.00 0.00 H new ATOM 0 HG3 GLN B 590 70.541 -0.052 11.730 1.00 0.00 H new ATOM 0 HE21 GLN B 590 71.370 -1.636 9.187 1.00 0.00 H new ATOM 0 HE22 GLN B 590 69.831 -1.951 8.379 1.00 0.00 H new ATOM 2327 N ASN B 591 70.219 1.492 13.955 1.00 0.00 N ATOM 2328 CA ASN B 591 70.921 1.759 15.241 1.00 0.00 C ATOM 2329 C ASN B 591 70.290 2.987 15.928 1.00 0.00 C ATOM 2330 O ASN B 591 70.908 3.616 16.759 1.00 0.00 O ATOM 2331 CB ASN B 591 72.444 1.984 14.998 1.00 0.00 C ATOM 2332 CG ASN B 591 72.747 2.145 13.509 1.00 0.00 C ATOM 2333 OD1 ASN B 591 73.377 3.101 13.102 1.00 0.00 O ATOM 2334 ND2 ASN B 591 72.321 1.242 12.681 1.00 0.00 N ATOM 0 H ASN B 591 69.940 0.523 13.805 1.00 0.00 H new ATOM 0 HA ASN B 591 70.811 0.893 15.894 1.00 0.00 H new ATOM 0 HB2 ASN B 591 72.774 2.872 15.537 1.00 0.00 H new ATOM 0 HB3 ASN B 591 73.007 1.141 15.398 1.00 0.00 H new ATOM 0 HD21 ASN B 591 72.514 1.333 11.684 1.00 0.00 H new ATOM 0 HD22 ASN B 591 71.793 0.441 13.027 1.00 0.00 H new ATOM 2341 N ASP B 592 69.054 3.305 15.595 1.00 0.00 N ATOM 2342 CA ASP B 592 68.338 4.466 16.233 1.00 0.00 C ATOM 2343 C ASP B 592 68.779 5.790 15.608 1.00 0.00 C ATOM 2344 O ASP B 592 68.280 6.844 15.948 1.00 0.00 O ATOM 2345 CB ASP B 592 68.629 4.508 17.738 1.00 0.00 C ATOM 2346 CG ASP B 592 68.704 3.083 18.294 1.00 0.00 C ATOM 2347 OD1 ASP B 592 68.073 2.210 17.721 1.00 0.00 O ATOM 2348 OD2 ASP B 592 69.391 2.890 19.284 1.00 0.00 O ATOM 0 H ASP B 592 68.504 2.802 14.899 1.00 0.00 H new ATOM 0 HA ASP B 592 67.270 4.329 16.066 1.00 0.00 H new ATOM 0 HB2 ASP B 592 69.569 5.029 17.921 1.00 0.00 H new ATOM 0 HB3 ASP B 592 67.848 5.068 18.253 1.00 0.00 H new ATOM 2353 N LYS B 593 69.715 5.747 14.715 1.00 0.00 N ATOM 2354 CA LYS B 593 70.207 6.996 14.078 1.00 0.00 C ATOM 2355 C LYS B 593 69.390 7.275 12.799 1.00 0.00 C ATOM 2356 O LYS B 593 69.315 6.421 11.939 1.00 0.00 O ATOM 2357 CB LYS B 593 71.665 6.780 13.707 1.00 0.00 C ATOM 2358 CG LYS B 593 72.427 6.213 14.913 1.00 0.00 C ATOM 2359 CD LYS B 593 73.929 6.468 14.745 1.00 0.00 C ATOM 2360 CE LYS B 593 74.668 6.005 16.002 1.00 0.00 C ATOM 2361 NZ LYS B 593 74.156 6.752 17.185 1.00 0.00 N ATOM 0 H LYS B 593 70.168 4.892 14.393 1.00 0.00 H new ATOM 0 HA LYS B 593 70.103 7.842 14.758 1.00 0.00 H new ATOM 0 HB2 LYS B 593 71.738 6.094 12.863 1.00 0.00 H new ATOM 0 HB3 LYS B 593 72.113 7.722 13.391 1.00 0.00 H new ATOM 0 HG2 LYS B 593 72.070 6.679 15.832 1.00 0.00 H new ATOM 0 HG3 LYS B 593 72.238 5.143 15.004 1.00 0.00 H new ATOM 0 HD2 LYS B 593 74.304 5.934 13.872 1.00 0.00 H new ATOM 0 HD3 LYS B 593 74.112 7.529 14.573 1.00 0.00 H new ATOM 0 HE2 LYS B 593 74.526 4.934 16.146 1.00 0.00 H new ATOM 0 HE3 LYS B 593 75.739 6.172 15.889 1.00 0.00 H new ATOM 0 HZ1 LYS B 593 74.881 6.761 17.930 1.00 0.00 H new ATOM 0 HZ2 LYS B 593 73.932 7.729 16.908 1.00 0.00 H new ATOM 0 HZ3 LYS B 593 73.297 6.288 17.543 1.00 0.00 H new ATOM 2375 N PRO B 594 68.782 8.441 12.639 1.00 0.00 N ATOM 2376 CA PRO B 594 68.001 8.716 11.398 1.00 0.00 C ATOM 2377 C PRO B 594 68.793 8.364 10.132 1.00 0.00 C ATOM 2378 O PRO B 594 69.986 8.146 10.185 1.00 0.00 O ATOM 2379 CB PRO B 594 67.754 10.223 11.520 1.00 0.00 C ATOM 2380 CG PRO B 594 67.870 10.586 12.999 1.00 0.00 C ATOM 2381 CD PRO B 594 68.808 9.554 13.641 1.00 0.00 C ATOM 0 HA PRO B 594 67.090 8.125 11.308 1.00 0.00 H new ATOM 0 HB2 PRO B 594 68.481 10.780 10.930 1.00 0.00 H new ATOM 0 HB3 PRO B 594 66.767 10.483 11.137 1.00 0.00 H new ATOM 0 HG2 PRO B 594 68.266 11.594 13.119 1.00 0.00 H new ATOM 0 HG3 PRO B 594 66.891 10.569 13.478 1.00 0.00 H new ATOM 0 HD2 PRO B 594 69.813 9.950 13.784 1.00 0.00 H new ATOM 0 HD3 PRO B 594 68.451 9.231 14.619 1.00 0.00 H new ATOM 2389 N TYR B 595 68.145 8.284 8.998 1.00 0.00 N ATOM 2390 CA TYR B 595 68.897 7.916 7.758 1.00 0.00 C ATOM 2391 C TYR B 595 68.023 8.088 6.513 1.00 0.00 C ATOM 2392 O TYR B 595 66.909 7.623 6.472 1.00 0.00 O ATOM 2393 CB TYR B 595 69.278 6.422 7.827 1.00 0.00 C ATOM 2394 CG TYR B 595 70.592 6.198 8.543 1.00 0.00 C ATOM 2395 CD1 TYR B 595 71.767 6.731 8.016 1.00 0.00 C ATOM 2396 CD2 TYR B 595 70.640 5.418 9.707 1.00 0.00 C ATOM 2397 CE1 TYR B 595 72.992 6.494 8.652 1.00 0.00 C ATOM 2398 CE2 TYR B 595 71.865 5.186 10.343 1.00 0.00 C ATOM 2399 CZ TYR B 595 73.039 5.724 9.814 1.00 0.00 C ATOM 2400 OH TYR B 595 74.246 5.497 10.440 1.00 0.00 O ATOM 0 H TYR B 595 67.147 8.454 8.876 1.00 0.00 H new ATOM 0 HA TYR B 595 69.773 8.562 7.694 1.00 0.00 H new ATOM 0 HB2 TYR B 595 68.489 5.871 8.339 1.00 0.00 H new ATOM 0 HB3 TYR B 595 69.344 6.019 6.816 1.00 0.00 H new ATOM 0 HD1 TYR B 595 71.733 7.327 7.116 1.00 0.00 H new ATOM 0 HD2 TYR B 595 69.732 4.996 10.113 1.00 0.00 H new ATOM 0 HE1 TYR B 595 73.901 6.908 8.242 1.00 0.00 H new ATOM 0 HE2 TYR B 595 71.902 4.591 11.243 1.00 0.00 H new ATOM 0 HH TYR B 595 74.272 5.988 11.288 1.00 0.00 H new ATOM 2410 N CYS B 596 68.549 8.641 5.457 1.00 0.00 N ATOM 2411 CA CYS B 596 67.739 8.687 4.215 1.00 0.00 C ATOM 2412 C CYS B 596 67.742 7.259 3.719 1.00 0.00 C ATOM 2413 O CYS B 596 68.656 6.512 4.009 1.00 0.00 O ATOM 2414 CB CYS B 596 68.368 9.577 3.131 1.00 0.00 C ATOM 2415 SG CYS B 596 68.851 11.182 3.796 1.00 0.00 S ATOM 0 H CYS B 596 69.481 9.053 5.401 1.00 0.00 H new ATOM 0 HA CYS B 596 66.750 9.097 4.418 1.00 0.00 H new ATOM 0 HB2 CYS B 596 69.241 9.078 2.710 1.00 0.00 H new ATOM 0 HB3 CYS B 596 67.658 9.718 2.316 1.00 0.00 H new ATOM 0 HG CYS B 596 70.112 11.390 3.556 1.00 0.00 H new ATOM 2420 N GLN B 597 66.773 6.847 2.977 1.00 0.00 N ATOM 2421 CA GLN B 597 66.824 5.452 2.502 1.00 0.00 C ATOM 2422 C GLN B 597 68.109 5.316 1.685 1.00 0.00 C ATOM 2423 O GLN B 597 68.969 4.514 1.980 1.00 0.00 O ATOM 2424 CB GLN B 597 65.553 5.148 1.674 1.00 0.00 C ATOM 2425 CG GLN B 597 65.790 4.044 0.625 1.00 0.00 C ATOM 2426 CD GLN B 597 65.579 2.672 1.260 1.00 0.00 C ATOM 2427 OE1 GLN B 597 65.103 1.755 0.621 1.00 0.00 O ATOM 2428 NE2 GLN B 597 65.919 2.496 2.501 1.00 0.00 N ATOM 0 H GLN B 597 65.966 7.397 2.683 1.00 0.00 H new ATOM 0 HA GLN B 597 66.841 4.730 3.319 1.00 0.00 H new ATOM 0 HB2 GLN B 597 64.749 4.843 2.344 1.00 0.00 H new ATOM 0 HB3 GLN B 597 65.222 6.058 1.173 1.00 0.00 H new ATOM 0 HG2 GLN B 597 65.107 4.175 -0.215 1.00 0.00 H new ATOM 0 HG3 GLN B 597 66.802 4.119 0.227 1.00 0.00 H new ATOM 0 HE21 GLN B 597 66.318 3.268 3.035 1.00 0.00 H new ATOM 0 HE22 GLN B 597 65.787 1.586 2.942 1.00 0.00 H new ATOM 2437 N ASN B 598 68.240 6.112 0.667 1.00 0.00 N ATOM 2438 CA ASN B 598 69.456 6.059 -0.184 1.00 0.00 C ATOM 2439 C ASN B 598 70.701 6.011 0.699 1.00 0.00 C ATOM 2440 O ASN B 598 71.728 5.509 0.300 1.00 0.00 O ATOM 2441 CB ASN B 598 69.494 7.308 -1.071 1.00 0.00 C ATOM 2442 CG ASN B 598 68.077 7.686 -1.473 1.00 0.00 C ATOM 2443 OD1 ASN B 598 67.666 8.821 -1.332 1.00 0.00 O ATOM 2444 ND2 ASN B 598 67.312 6.769 -1.973 1.00 0.00 N ATOM 0 H ASN B 598 67.548 6.806 0.384 1.00 0.00 H new ATOM 0 HA ASN B 598 69.433 5.166 -0.808 1.00 0.00 H new ATOM 0 HB2 ASN B 598 69.964 8.133 -0.536 1.00 0.00 H new ATOM 0 HB3 ASN B 598 70.097 7.119 -1.959 1.00 0.00 H new ATOM 0 HD21 ASN B 598 66.358 6.997 -2.252 1.00 0.00 H new ATOM 0 HD22 ASN B 598 67.664 5.819 -2.088 1.00 0.00 H new ATOM 2451 N CYS B 599 70.614 6.529 1.892 1.00 0.00 N ATOM 2452 CA CYS B 599 71.786 6.512 2.803 1.00 0.00 C ATOM 2453 C CYS B 599 71.826 5.182 3.553 1.00 0.00 C ATOM 2454 O CYS B 599 72.734 4.402 3.382 1.00 0.00 O ATOM 2455 CB CYS B 599 71.666 7.664 3.798 1.00 0.00 C ATOM 2456 SG CYS B 599 71.911 9.226 2.923 1.00 0.00 S ATOM 0 H CYS B 599 69.775 6.965 2.275 1.00 0.00 H new ATOM 0 HA CYS B 599 72.704 6.626 2.226 1.00 0.00 H new ATOM 0 HB2 CYS B 599 70.686 7.649 4.274 1.00 0.00 H new ATOM 0 HB3 CYS B 599 72.407 7.556 4.590 1.00 0.00 H new ATOM 0 HG CYS B 599 73.159 9.339 2.578 1.00 0.00 H new ATOM 2461 N PHE B 600 70.844 4.914 4.376 1.00 0.00 N ATOM 2462 CA PHE B 600 70.829 3.633 5.133 1.00 0.00 C ATOM 2463 C PHE B 600 71.041 2.478 4.154 1.00 0.00 C ATOM 2464 O PHE B 600 71.917 1.655 4.330 1.00 0.00 O ATOM 2465 CB PHE B 600 69.470 3.511 5.870 1.00 0.00 C ATOM 2466 CG PHE B 600 68.875 2.121 5.739 1.00 0.00 C ATOM 2467 CD1 PHE B 600 68.052 1.820 4.649 1.00 0.00 C ATOM 2468 CD2 PHE B 600 69.143 1.144 6.703 1.00 0.00 C ATOM 2469 CE1 PHE B 600 67.495 0.542 4.522 1.00 0.00 C ATOM 2470 CE2 PHE B 600 68.587 -0.136 6.576 1.00 0.00 C ATOM 2471 CZ PHE B 600 67.763 -0.436 5.486 1.00 0.00 C ATOM 0 H PHE B 600 70.052 5.531 4.554 1.00 0.00 H new ATOM 0 HA PHE B 600 71.628 3.604 5.873 1.00 0.00 H new ATOM 0 HB2 PHE B 600 69.607 3.749 6.925 1.00 0.00 H new ATOM 0 HB3 PHE B 600 68.772 4.244 5.466 1.00 0.00 H new ATOM 0 HD1 PHE B 600 67.846 2.575 3.904 1.00 0.00 H new ATOM 0 HD2 PHE B 600 69.778 1.376 7.545 1.00 0.00 H new ATOM 0 HE1 PHE B 600 66.859 0.311 3.680 1.00 0.00 H new ATOM 0 HE2 PHE B 600 68.795 -0.891 7.320 1.00 0.00 H new ATOM 0 HZ PHE B 600 67.334 -1.422 5.389 1.00 0.00 H new ATOM 2481 N LEU B 601 70.245 2.408 3.125 1.00 0.00 N ATOM 2482 CA LEU B 601 70.408 1.306 2.144 1.00 0.00 C ATOM 2483 C LEU B 601 71.881 1.251 1.727 1.00 0.00 C ATOM 2484 O LEU B 601 72.468 0.195 1.613 1.00 0.00 O ATOM 2485 CB LEU B 601 69.446 1.558 0.948 1.00 0.00 C ATOM 2486 CG LEU B 601 70.183 1.970 -0.351 1.00 0.00 C ATOM 2487 CD1 LEU B 601 71.025 0.794 -0.911 1.00 0.00 C ATOM 2488 CD2 LEU B 601 69.141 2.396 -1.397 1.00 0.00 C ATOM 0 H LEU B 601 69.491 3.065 2.923 1.00 0.00 H new ATOM 0 HA LEU B 601 70.148 0.336 2.568 1.00 0.00 H new ATOM 0 HB2 LEU B 601 68.867 0.654 0.759 1.00 0.00 H new ATOM 0 HB3 LEU B 601 68.736 2.340 1.219 1.00 0.00 H new ATOM 0 HG LEU B 601 70.858 2.796 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU B 601 71.531 1.111 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU B 601 71.766 0.492 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU B 601 70.370 -0.049 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU B 601 69.647 2.689 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU B 601 68.469 1.562 -1.602 1.00 0.00 H new ATOM 0 HD23 LEU B 601 68.566 3.240 -1.015 1.00 0.00 H new ATOM 2500 N LYS B 602 72.478 2.386 1.511 1.00 0.00 N ATOM 2501 CA LYS B 602 73.914 2.403 1.112 1.00 0.00 C ATOM 2502 C LYS B 602 74.729 1.593 2.133 1.00 0.00 C ATOM 2503 O LYS B 602 75.810 1.123 1.845 1.00 0.00 O ATOM 2504 CB LYS B 602 74.424 3.873 1.085 1.00 0.00 C ATOM 2505 CG LYS B 602 75.122 4.197 -0.251 1.00 0.00 C ATOM 2506 CD LYS B 602 76.493 3.469 -0.352 1.00 0.00 C ATOM 2507 CE LYS B 602 76.491 2.446 -1.496 1.00 0.00 C ATOM 2508 NZ LYS B 602 75.924 3.062 -2.730 1.00 0.00 N ATOM 0 H LYS B 602 72.037 3.302 1.593 1.00 0.00 H new ATOM 0 HA LYS B 602 74.028 1.963 0.121 1.00 0.00 H new ATOM 0 HB2 LYS B 602 73.586 4.554 1.235 1.00 0.00 H new ATOM 0 HB3 LYS B 602 75.118 4.035 1.910 1.00 0.00 H new ATOM 0 HG2 LYS B 602 74.484 3.896 -1.082 1.00 0.00 H new ATOM 0 HG3 LYS B 602 75.270 5.273 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS B 602 77.285 4.200 -0.514 1.00 0.00 H new ATOM 0 HD3 LYS B 602 76.712 2.966 0.590 1.00 0.00 H new ATOM 0 HE2 LYS B 602 77.507 2.099 -1.686 1.00 0.00 H new ATOM 0 HE3 LYS B 602 75.904 1.573 -1.213 1.00 0.00 H new ATOM 0 HZ1 LYS B 602 76.405 2.671 -3.565 1.00 0.00 H new ATOM 0 HZ2 LYS B 602 74.907 2.853 -2.787 1.00 0.00 H new ATOM 0 HZ3 LYS B 602 76.064 4.092 -2.700 1.00 0.00 H new ATOM 2522 N LEU B 603 74.232 1.467 3.338 1.00 0.00 N ATOM 2523 CA LEU B 603 74.989 0.730 4.399 1.00 0.00 C ATOM 2524 C LEU B 603 74.560 -0.745 4.476 1.00 0.00 C ATOM 2525 O LEU B 603 75.380 -1.636 4.372 1.00 0.00 O ATOM 2526 CB LEU B 603 74.741 1.410 5.756 1.00 0.00 C ATOM 2527 CG LEU B 603 74.595 2.924 5.562 1.00 0.00 C ATOM 2528 CD1 LEU B 603 74.416 3.606 6.920 1.00 0.00 C ATOM 2529 CD2 LEU B 603 75.846 3.488 4.879 1.00 0.00 C ATOM 0 H LEU B 603 73.332 1.844 3.635 1.00 0.00 H new ATOM 0 HA LEU B 603 76.049 0.758 4.148 1.00 0.00 H new ATOM 0 HB2 LEU B 603 73.840 1.005 6.216 1.00 0.00 H new ATOM 0 HB3 LEU B 603 75.568 1.200 6.435 1.00 0.00 H new ATOM 0 HG LEU B 603 73.722 3.115 4.937 1.00 0.00 H new ATOM 0 HD11 LEU B 603 74.313 4.682 6.776 1.00 0.00 H new ATOM 0 HD12 LEU B 603 73.522 3.218 7.407 1.00 0.00 H new ATOM 0 HD13 LEU B 603 75.286 3.405 7.545 1.00 0.00 H new ATOM 0 HD21 LEU B 603 75.734 4.564 4.745 1.00 0.00 H new ATOM 0 HD22 LEU B 603 76.720 3.289 5.499 1.00 0.00 H new ATOM 0 HD23 LEU B 603 75.975 3.013 3.907 1.00 0.00 H new ATOM 2541 N PHE B 604 73.291 -1.011 4.688 1.00 0.00 N ATOM 2542 CA PHE B 604 72.820 -2.434 4.807 1.00 0.00 C ATOM 2543 C PHE B 604 72.079 -2.875 3.537 1.00 0.00 C ATOM 2544 O PHE B 604 72.065 -4.042 3.204 1.00 0.00 O ATOM 2545 CB PHE B 604 71.874 -2.546 6.014 1.00 0.00 C ATOM 2546 CG PHE B 604 72.678 -2.595 7.295 1.00 0.00 C ATOM 2547 CD1 PHE B 604 73.001 -1.412 7.972 1.00 0.00 C ATOM 2548 CD2 PHE B 604 73.099 -3.830 7.805 1.00 0.00 C ATOM 2549 CE1 PHE B 604 73.744 -1.465 9.157 1.00 0.00 C ATOM 2550 CE2 PHE B 604 73.842 -3.881 8.990 1.00 0.00 C ATOM 2551 CZ PHE B 604 74.164 -2.699 9.666 1.00 0.00 C ATOM 0 H PHE B 604 72.560 -0.306 4.784 1.00 0.00 H new ATOM 0 HA PHE B 604 73.687 -3.081 4.941 1.00 0.00 H new ATOM 0 HB2 PHE B 604 71.193 -1.695 6.034 1.00 0.00 H new ATOM 0 HB3 PHE B 604 71.261 -3.443 5.925 1.00 0.00 H new ATOM 0 HD1 PHE B 604 72.677 -0.459 7.580 1.00 0.00 H new ATOM 0 HD2 PHE B 604 72.850 -4.743 7.284 1.00 0.00 H new ATOM 0 HE1 PHE B 604 73.993 -0.553 9.679 1.00 0.00 H new ATOM 0 HE2 PHE B 604 74.167 -4.833 9.383 1.00 0.00 H new ATOM 0 HZ PHE B 604 74.737 -2.739 10.581 1.00 0.00 H new ATOM 2561 N CYS B 605 71.459 -1.963 2.835 1.00 0.00 N ATOM 2562 CA CYS B 605 70.714 -2.345 1.594 1.00 0.00 C ATOM 2563 C CYS B 605 69.879 -3.605 1.852 1.00 0.00 C ATOM 2564 O CYS B 605 69.591 -4.307 0.896 1.00 0.00 O ATOM 2565 CB CYS B 605 71.706 -2.590 0.444 1.00 0.00 C ATOM 2566 SG CYS B 605 72.405 -4.261 0.552 1.00 0.00 S ATOM 2567 OXT CYS B 605 69.545 -3.845 3.000 1.00 0.00 O ATOM 0 H CYS B 605 71.435 -0.970 3.066 1.00 0.00 H new ATOM 0 HA CYS B 605 70.044 -1.532 1.314 1.00 0.00 H new ATOM 0 HB2 CYS B 605 71.201 -2.462 -0.513 1.00 0.00 H new ATOM 0 HB3 CYS B 605 72.507 -1.851 0.483 1.00 0.00 H new ATOM 0 HG CYS B 605 72.390 -4.659 1.790 1.00 0.00 H new