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 -123:sc= -1.58 USER MOD Set 1.2: B 578 CYS SG : rot 47:sc= 0.532! USER MOD Set 1.3: B 596 CYS SG : rot 68:sc= -2.26! USER MOD Set 1.4: B 599 CYS SG : rot -70:sc= 0.105 USER MOD Set 2.1: B 549 CYS SG : rot 16:sc= -0.936 USER MOD Set 2.2: B 552 CYS SG : rot -178:sc= 0.243 USER MOD Set 2.3: B 569 HIS : no HE2:sc= -5.99! C(o=-13!,f=-27!) USER MOD Set 2.4: B 572 HIS : no HD1:sc= -6.06! C(o=-13!,f=-20!) USER MOD Set 3.1: B 562 THR OG1 : rot 178:sc= 0.222 USER MOD Set 3.2: B 567 LYS NZ :NH3+ 141:sc= 0.238 (180deg=0) USER MOD Set 3.3: B 584 LYS NZ :NH3+ 160:sc= -4.57! (180deg=-5.21!) USER MOD Set 4.1: A 70 THR OG1 : rot -110:sc= 0.13 USER MOD Set 4.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 45 MET CE :methyl 171:sc= -4.1 (180deg=-1.64) USER MOD Set 5.2: B 602 LYS NZ :NH3+ -151:sc= -3.06 (180deg=-0.0451) USER MOD Single : A 17 THR OG1 : rot 79:sc= -1.64! USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.0301 X(o=-0.03,f=-0.41) USER MOD Single : A 25 THR OG1 : rot 80:sc= -1.21 USER MOD Single : A 28 ASN : amide:sc= -2.46! K(o=-2.5!,f=-1.3) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.643 USER MOD Single : A 40 HIS : no HD1:sc= 0.566 K(o=0.57,f=-2.6!) USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00626) USER MOD Single : A 51 LYS NZ :NH3+ -153:sc= -0.514 (180deg=-1.65!) USER MOD Single : A 55 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0192) USER MOD Single : A 56 LYS NZ :NH3+ -151:sc= -0.25 (180deg=-1.3!) USER MOD Single : A 59 SER OG : rot 100:sc= 1.49 USER MOD Single : A 61 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-3.4!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 146:sc= -1.06 (180deg=-2.88!) USER MOD Single : A 75 THR OG1 : rot -170:sc= -0.75 USER MOD Single : A 76 HIS : no HD1:sc= -0.226 K(o=-0.23,f=-1.8) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 81 LYS NZ :NH3+ -177:sc= -1.17 (180deg=-1.43) USER MOD Single : A 85 GLN : amide:sc= -2.76! K(o=-2.8!,f=-1.5) USER MOD Single : A 89 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.216) USER MOD Single : A 91 GLN : amide:sc= -9.97! C(o=-10!,f=-11!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : B 547 SER OG : rot 180:sc= 0 USER MOD Single : B 550 SER OG : rot 180:sc= 0 USER MOD Single : B 553 GLN : amide:sc= -3.29! K(o=-3.3!,f=-1.2) USER MOD Single : B 554 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.528) USER MOD Single : B 557 THR OG1 : rot 46:sc= 0.915 USER MOD Single : B 560 CYS SG : rot 37:sc= 0.415 USER MOD Single : B 564 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 566 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 580 LYS NZ :NH3+ 159:sc= -0.0741 (180deg=-0.963) USER MOD Single : B 581 GLN : amide:sc= -4.87! C(o=-4.9!,f=-2.4!) USER MOD Single : B 583 ASN : amide:sc= -2.02! C(o=-2!,f=-3.7!) USER MOD Single : B 586 THR OG1 : rot 64:sc= 0.696 USER MOD Single : B 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 590 GLN : amide:sc= -3.36! C(o=-3.4!,f=-3.1!) USER MOD Single : B 591 ASN : amide:sc= -12.2! C(o=-12!,f=-9.8!) USER MOD Single : B 593 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.151) USER MOD Single : B 595 TYR OH : rot 165:sc= -0.0815 USER MOD Single : B 597 GLN : amide:sc= -4.69! K(o=-4.7!,f=-0.12) USER MOD Single : B 598 ASN : amide:sc= -0.704 X(o=-0.7,f=-0.55) USER MOD Single : B 605 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 213 N GLY A 16 90.061 -13.606 15.553 1.00 0.00 N ATOM 214 CA GLY A 16 88.945 -13.697 14.571 1.00 0.00 C ATOM 215 C GLY A 16 88.708 -12.352 13.953 1.00 0.00 C ATOM 216 O GLY A 16 87.581 -11.977 13.695 1.00 0.00 O ATOM 0 HA2 GLY A 16 89.186 -14.426 13.798 1.00 0.00 H new ATOM 0 HA3 GLY A 16 88.039 -14.046 15.066 1.00 0.00 H new ATOM 220 N THR A 17 89.727 -11.605 13.721 1.00 0.00 N ATOM 221 CA THR A 17 89.480 -10.284 13.131 1.00 0.00 C ATOM 222 C THR A 17 90.756 -9.643 12.645 1.00 0.00 C ATOM 223 O THR A 17 91.846 -10.169 12.742 1.00 0.00 O ATOM 224 CB THR A 17 88.820 -9.377 14.163 1.00 0.00 C ATOM 225 OG1 THR A 17 88.772 -8.068 13.642 1.00 0.00 O ATOM 226 CG2 THR A 17 89.616 -9.369 15.466 1.00 0.00 C ATOM 0 H THR A 17 90.701 -11.843 13.909 1.00 0.00 H new ATOM 0 HA THR A 17 88.821 -10.420 12.273 1.00 0.00 H new ATOM 0 HB THR A 17 87.816 -9.746 14.374 1.00 0.00 H new ATOM 0 HG1 THR A 17 88.027 -7.995 13.009 1.00 0.00 H new ATOM 0 HG21 THR A 17 89.126 -8.715 16.188 1.00 0.00 H new ATOM 0 HG22 THR A 17 89.665 -10.381 15.868 1.00 0.00 H new ATOM 0 HG23 THR A 17 90.625 -9.005 15.274 1.00 0.00 H new ATOM 234 N TRP A 18 90.572 -8.504 12.097 1.00 0.00 N ATOM 235 CA TRP A 18 91.685 -7.716 11.522 1.00 0.00 C ATOM 236 C TRP A 18 91.199 -6.281 11.284 1.00 0.00 C ATOM 237 O TRP A 18 90.181 -6.059 10.658 1.00 0.00 O ATOM 238 CB TRP A 18 92.099 -8.361 10.189 1.00 0.00 C ATOM 239 CG TRP A 18 90.940 -9.097 9.582 1.00 0.00 C ATOM 240 CD1 TRP A 18 89.957 -8.532 8.841 1.00 0.00 C ATOM 241 CD2 TRP A 18 90.629 -10.520 9.653 1.00 0.00 C ATOM 242 NE1 TRP A 18 89.065 -9.519 8.456 1.00 0.00 N ATOM 243 CE2 TRP A 18 89.435 -10.758 8.932 1.00 0.00 C ATOM 244 CE3 TRP A 18 91.260 -11.616 10.268 1.00 0.00 C ATOM 245 CZ2 TRP A 18 88.887 -12.036 8.825 1.00 0.00 C ATOM 246 CZ3 TRP A 18 90.709 -12.903 10.162 1.00 0.00 C ATOM 247 CH2 TRP A 18 89.526 -13.112 9.443 1.00 0.00 C ATOM 0 H TRP A 18 89.659 -8.057 12.015 1.00 0.00 H new ATOM 0 HA TRP A 18 92.539 -7.699 12.199 1.00 0.00 H new ATOM 0 HB2 TRP A 18 92.452 -7.593 9.500 1.00 0.00 H new ATOM 0 HB3 TRP A 18 92.929 -9.048 10.352 1.00 0.00 H new ATOM 0 HD1 TRP A 18 89.881 -7.484 8.591 1.00 0.00 H new ATOM 0 HE1 TRP A 18 88.235 -9.349 7.889 1.00 0.00 H new ATOM 0 HE3 TRP A 18 92.173 -11.467 10.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 87.975 -12.192 8.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 91.201 -13.738 10.639 1.00 0.00 H new ATOM 0 HH2 TRP A 18 89.108 -14.105 9.367 1.00 0.00 H new ATOM 258 N GLU A 19 91.914 -5.302 11.775 1.00 0.00 N ATOM 259 CA GLU A 19 91.476 -3.886 11.566 1.00 0.00 C ATOM 260 C GLU A 19 91.958 -3.400 10.207 1.00 0.00 C ATOM 261 O GLU A 19 93.108 -3.553 9.844 1.00 0.00 O ATOM 262 CB GLU A 19 92.022 -2.967 12.691 1.00 0.00 C ATOM 263 CG GLU A 19 93.122 -3.684 13.466 1.00 0.00 C ATOM 264 CD GLU A 19 94.239 -4.103 12.509 1.00 0.00 C ATOM 265 OE1 GLU A 19 94.480 -5.294 12.397 1.00 0.00 O ATOM 266 OE2 GLU A 19 94.835 -3.227 11.905 1.00 0.00 O ATOM 0 H GLU A 19 92.776 -5.418 12.308 1.00 0.00 H new ATOM 0 HA GLU A 19 90.387 -3.847 11.598 1.00 0.00 H new ATOM 0 HB2 GLU A 19 92.412 -2.045 12.261 1.00 0.00 H new ATOM 0 HB3 GLU A 19 91.214 -2.687 13.367 1.00 0.00 H new ATOM 0 HG2 GLU A 19 93.521 -3.029 14.241 1.00 0.00 H new ATOM 0 HG3 GLU A 19 92.713 -4.560 13.969 1.00 0.00 H new ATOM 273 N LEU A 20 91.078 -2.797 9.460 1.00 0.00 N ATOM 274 CA LEU A 20 91.465 -2.275 8.129 1.00 0.00 C ATOM 275 C LEU A 20 92.087 -0.900 8.342 1.00 0.00 C ATOM 276 O LEU A 20 91.563 -0.082 9.067 1.00 0.00 O ATOM 277 CB LEU A 20 90.202 -2.170 7.235 1.00 0.00 C ATOM 278 CG LEU A 20 90.397 -2.918 5.900 1.00 0.00 C ATOM 279 CD1 LEU A 20 91.704 -2.475 5.205 1.00 0.00 C ATOM 280 CD2 LEU A 20 90.400 -4.444 6.155 1.00 0.00 C ATOM 0 H LEU A 20 90.103 -2.644 9.719 1.00 0.00 H new ATOM 0 HA LEU A 20 92.178 -2.935 7.635 1.00 0.00 H new ATOM 0 HB2 LEU A 20 89.344 -2.584 7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 20 89.980 -1.121 7.038 1.00 0.00 H new ATOM 0 HG LEU A 20 89.570 -2.672 5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 20 91.819 -3.017 4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 20 91.664 -1.404 5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 20 92.553 -2.691 5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 20 90.538 -4.970 5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 20 91.214 -4.698 6.834 1.00 0.00 H new ATOM 0 HD23 LEU A 20 89.450 -4.740 6.600 1.00 0.00 H new ATOM 292 N SER A 21 93.197 -0.641 7.728 1.00 0.00 N ATOM 293 CA SER A 21 93.843 0.680 7.916 1.00 0.00 C ATOM 294 C SER A 21 93.121 1.713 7.070 1.00 0.00 C ATOM 295 O SER A 21 92.653 1.423 5.986 1.00 0.00 O ATOM 296 CB SER A 21 95.308 0.599 7.487 1.00 0.00 C ATOM 297 OG SER A 21 96.071 1.529 8.244 1.00 0.00 O ATOM 0 H SER A 21 93.686 -1.284 7.105 1.00 0.00 H new ATOM 0 HA SER A 21 93.792 0.967 8.966 1.00 0.00 H new ATOM 0 HB2 SER A 21 95.688 -0.411 7.640 1.00 0.00 H new ATOM 0 HB3 SER A 21 95.400 0.816 6.423 1.00 0.00 H new ATOM 0 HG SER A 21 97.011 1.478 7.973 1.00 0.00 H new ATOM 303 N VAL A 22 93.036 2.922 7.552 1.00 0.00 N ATOM 304 CA VAL A 22 92.352 3.991 6.769 1.00 0.00 C ATOM 305 C VAL A 22 93.154 5.283 6.840 1.00 0.00 C ATOM 306 O VAL A 22 93.274 5.902 7.875 1.00 0.00 O ATOM 307 CB VAL A 22 90.931 4.220 7.301 1.00 0.00 C ATOM 308 CG1 VAL A 22 90.385 5.558 6.786 1.00 0.00 C ATOM 309 CG2 VAL A 22 90.032 3.100 6.788 1.00 0.00 C ATOM 0 H VAL A 22 93.410 3.217 8.454 1.00 0.00 H new ATOM 0 HA VAL A 22 92.285 3.673 5.729 1.00 0.00 H new ATOM 0 HB VAL A 22 90.952 4.232 8.391 1.00 0.00 H new ATOM 0 HG11 VAL A 22 89.376 5.711 7.169 1.00 0.00 H new ATOM 0 HG12 VAL A 22 91.029 6.369 7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 22 90.361 5.546 5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 22 89.018 3.249 7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 22 90.026 3.109 5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 22 90.409 2.140 7.141 1.00 0.00 H new ATOM 319 N HIS A 23 93.676 5.699 5.725 1.00 0.00 N ATOM 320 CA HIS A 23 94.452 6.959 5.675 1.00 0.00 C ATOM 321 C HIS A 23 93.478 8.116 5.471 1.00 0.00 C ATOM 322 O HIS A 23 92.992 8.336 4.380 1.00 0.00 O ATOM 323 CB HIS A 23 95.409 6.886 4.481 1.00 0.00 C ATOM 324 CG HIS A 23 96.647 6.115 4.859 1.00 0.00 C ATOM 325 ND1 HIS A 23 96.586 4.868 5.464 1.00 0.00 N ATOM 326 CD2 HIS A 23 97.983 6.401 4.723 1.00 0.00 C ATOM 327 CE1 HIS A 23 97.851 4.455 5.667 1.00 0.00 C ATOM 328 NE2 HIS A 23 98.741 5.351 5.233 1.00 0.00 N ATOM 0 H HIS A 23 93.595 5.210 4.833 1.00 0.00 H new ATOM 0 HA HIS A 23 95.015 7.106 6.596 1.00 0.00 H new ATOM 0 HB2 HIS A 23 94.915 6.405 3.637 1.00 0.00 H new ATOM 0 HB3 HIS A 23 95.681 7.892 4.160 1.00 0.00 H new ATOM 0 HD2 HIS A 23 98.385 7.304 4.287 1.00 0.00 H new ATOM 0 HE1 HIS A 23 98.114 3.513 6.125 1.00 0.00 H new ATOM 0 HE2 HIS A 23 99.758 5.281 5.268 1.00 0.00 H new ATOM 336 N VAL A 24 93.188 8.869 6.495 1.00 0.00 N ATOM 337 CA VAL A 24 92.251 10.001 6.298 1.00 0.00 C ATOM 338 C VAL A 24 92.967 11.043 5.445 1.00 0.00 C ATOM 339 O VAL A 24 93.880 11.701 5.891 1.00 0.00 O ATOM 340 CB VAL A 24 91.837 10.583 7.663 1.00 0.00 C ATOM 341 CG1 VAL A 24 90.438 11.202 7.565 1.00 0.00 C ATOM 342 CG2 VAL A 24 91.802 9.457 8.698 1.00 0.00 C ATOM 0 H VAL A 24 93.552 8.751 7.440 1.00 0.00 H new ATOM 0 HA VAL A 24 91.340 9.676 5.795 1.00 0.00 H new ATOM 0 HB VAL A 24 92.555 11.348 7.958 1.00 0.00 H new ATOM 0 HG11 VAL A 24 90.153 11.611 8.534 1.00 0.00 H new ATOM 0 HG12 VAL A 24 90.444 11.999 6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 24 89.721 10.436 7.269 1.00 0.00 H new ATOM 0 HG21 VAL A 24 91.510 9.862 9.667 1.00 0.00 H new ATOM 0 HG22 VAL A 24 91.081 8.701 8.388 1.00 0.00 H new ATOM 0 HG23 VAL A 24 92.791 9.005 8.777 1.00 0.00 H new ATOM 352 N THR A 25 92.584 11.168 4.206 1.00 0.00 N ATOM 353 CA THR A 25 93.265 12.139 3.308 1.00 0.00 C ATOM 354 C THR A 25 92.768 13.555 3.595 1.00 0.00 C ATOM 355 O THR A 25 93.538 14.495 3.630 1.00 0.00 O ATOM 356 CB THR A 25 92.967 11.769 1.856 1.00 0.00 C ATOM 357 OG1 THR A 25 91.564 11.689 1.674 1.00 0.00 O ATOM 358 CG2 THR A 25 93.604 10.417 1.529 1.00 0.00 C ATOM 0 H THR A 25 91.826 10.638 3.776 1.00 0.00 H new ATOM 0 HA THR A 25 94.340 12.104 3.483 1.00 0.00 H new ATOM 0 HB THR A 25 93.380 12.530 1.193 1.00 0.00 H new ATOM 0 HG1 THR A 25 91.196 12.591 1.568 1.00 0.00 H new ATOM 0 HG21 THR A 25 93.390 10.155 0.493 1.00 0.00 H new ATOM 0 HG22 THR A 25 94.683 10.479 1.672 1.00 0.00 H new ATOM 0 HG23 THR A 25 93.194 9.652 2.189 1.00 0.00 H new ATOM 366 N ASP A 26 91.494 13.721 3.814 1.00 0.00 N ATOM 367 CA ASP A 26 90.969 15.082 4.112 1.00 0.00 C ATOM 368 C ASP A 26 91.390 15.473 5.529 1.00 0.00 C ATOM 369 O ASP A 26 90.801 16.334 6.149 1.00 0.00 O ATOM 370 CB ASP A 26 89.441 15.077 4.015 1.00 0.00 C ATOM 371 CG ASP A 26 88.861 14.152 5.087 1.00 0.00 C ATOM 372 OD1 ASP A 26 88.942 14.504 6.252 1.00 0.00 O ATOM 373 OD2 ASP A 26 88.344 13.108 4.724 1.00 0.00 O ATOM 0 H ASP A 26 90.796 12.977 3.800 1.00 0.00 H new ATOM 0 HA ASP A 26 91.369 15.798 3.394 1.00 0.00 H new ATOM 0 HB2 ASP A 26 89.055 16.088 4.145 1.00 0.00 H new ATOM 0 HB3 ASP A 26 89.131 14.742 3.025 1.00 0.00 H new ATOM 378 N LEU A 27 92.406 14.830 6.044 1.00 0.00 N ATOM 379 CA LEU A 27 92.882 15.131 7.425 1.00 0.00 C ATOM 380 C LEU A 27 94.368 14.754 7.531 1.00 0.00 C ATOM 381 O LEU A 27 95.119 15.378 8.249 1.00 0.00 O ATOM 382 CB LEU A 27 92.051 14.294 8.422 1.00 0.00 C ATOM 383 CG LEU A 27 90.993 15.165 9.121 1.00 0.00 C ATOM 384 CD1 LEU A 27 89.886 14.269 9.684 1.00 0.00 C ATOM 385 CD2 LEU A 27 91.642 15.953 10.265 1.00 0.00 C ATOM 0 H LEU A 27 92.931 14.101 5.560 1.00 0.00 H new ATOM 0 HA LEU A 27 92.764 16.191 7.652 1.00 0.00 H new ATOM 0 HB2 LEU A 27 91.563 13.474 7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 27 92.710 13.848 9.167 1.00 0.00 H new ATOM 0 HG LEU A 27 90.568 15.863 8.399 1.00 0.00 H new ATOM 0 HD11 LEU A 27 89.136 14.885 10.180 1.00 0.00 H new ATOM 0 HD12 LEU A 27 89.419 13.713 8.871 1.00 0.00 H new ATOM 0 HD13 LEU A 27 90.314 13.570 10.403 1.00 0.00 H new ATOM 0 HD21 LEU A 27 90.888 16.568 10.757 1.00 0.00 H new ATOM 0 HD22 LEU A 27 92.071 15.259 10.987 1.00 0.00 H new ATOM 0 HD23 LEU A 27 92.429 16.593 9.865 1.00 0.00 H new ATOM 397 N ASN A 28 94.771 13.728 6.818 1.00 0.00 N ATOM 398 CA ASN A 28 96.196 13.255 6.836 1.00 0.00 C ATOM 399 C ASN A 28 96.426 12.299 8.006 1.00 0.00 C ATOM 400 O ASN A 28 97.552 12.004 8.354 1.00 0.00 O ATOM 401 CB ASN A 28 97.172 14.437 6.954 1.00 0.00 C ATOM 402 CG ASN A 28 98.545 14.009 6.441 1.00 0.00 C ATOM 403 OD1 ASN A 28 99.355 14.829 6.059 1.00 0.00 O ATOM 404 ND2 ASN A 28 98.831 12.742 6.419 1.00 0.00 N ATOM 0 H ASN A 28 94.158 13.185 6.210 1.00 0.00 H new ATOM 0 HA ASN A 28 96.381 12.736 5.896 1.00 0.00 H new ATOM 0 HB2 ASN A 28 96.804 15.286 6.378 1.00 0.00 H new ATOM 0 HB3 ASN A 28 97.244 14.762 7.992 1.00 0.00 H new ATOM 0 HD21 ASN A 28 99.741 12.430 6.079 1.00 0.00 H new ATOM 0 HD22 ASN A 28 98.146 12.059 6.741 1.00 0.00 H new ATOM 411 N ARG A 29 95.383 11.809 8.622 1.00 0.00 N ATOM 412 CA ARG A 29 95.566 10.881 9.763 1.00 0.00 C ATOM 413 C ARG A 29 95.482 9.444 9.283 1.00 0.00 C ATOM 414 O ARG A 29 95.296 9.163 8.115 1.00 0.00 O ATOM 415 CB ARG A 29 94.462 11.097 10.781 1.00 0.00 C ATOM 416 CG ARG A 29 94.536 12.521 11.314 1.00 0.00 C ATOM 417 CD ARG A 29 93.348 12.782 12.244 1.00 0.00 C ATOM 418 NE ARG A 29 93.663 12.272 13.613 1.00 0.00 N ATOM 419 CZ ARG A 29 93.337 11.053 13.969 1.00 0.00 C ATOM 420 NH1 ARG A 29 93.613 10.637 15.175 1.00 0.00 N ATOM 421 NH2 ARG A 29 92.744 10.251 13.126 1.00 0.00 N ATOM 0 H ARG A 29 94.414 12.015 8.380 1.00 0.00 H new ATOM 0 HA ARG A 29 96.541 11.073 10.210 1.00 0.00 H new ATOM 0 HB2 ARG A 29 93.489 10.919 10.322 1.00 0.00 H new ATOM 0 HB3 ARG A 29 94.563 10.385 11.600 1.00 0.00 H new ATOM 0 HG2 ARG A 29 95.472 12.671 11.852 1.00 0.00 H new ATOM 0 HG3 ARG A 29 94.527 13.231 10.487 1.00 0.00 H new ATOM 0 HD2 ARG A 29 93.131 13.850 12.283 1.00 0.00 H new ATOM 0 HD3 ARG A 29 92.456 12.290 11.858 1.00 0.00 H new ATOM 0 HE ARG A 29 94.138 12.881 14.280 1.00 0.00 H new ATOM 0 HH11 ARG A 29 94.080 11.259 15.835 1.00 0.00 H new ATOM 0 HH12 ARG A 29 93.362 9.690 15.458 1.00 0.00 H new ATOM 0 HH21 ARG A 29 92.531 10.571 12.181 1.00 0.00 H new ATOM 0 HH22 ARG A 29 92.494 9.304 13.412 1.00 0.00 H new ATOM 435 N ASP A 30 95.593 8.537 10.202 1.00 0.00 N ATOM 436 CA ASP A 30 95.497 7.091 9.875 1.00 0.00 C ATOM 437 C ASP A 30 94.617 6.428 10.922 1.00 0.00 C ATOM 438 O ASP A 30 94.936 6.416 12.095 1.00 0.00 O ATOM 439 CB ASP A 30 96.879 6.446 9.899 1.00 0.00 C ATOM 440 CG ASP A 30 97.680 6.895 8.676 1.00 0.00 C ATOM 441 OD1 ASP A 30 97.064 7.309 7.708 1.00 0.00 O ATOM 442 OD2 ASP A 30 98.897 6.818 8.729 1.00 0.00 O ATOM 0 H ASP A 30 95.750 8.739 11.189 1.00 0.00 H new ATOM 0 HA ASP A 30 95.075 6.968 8.878 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.405 6.725 10.812 1.00 0.00 H new ATOM 0 HB3 ASP A 30 96.784 5.360 9.905 1.00 0.00 H new ATOM 447 N VAL A 31 93.503 5.892 10.508 1.00 0.00 N ATOM 448 CA VAL A 31 92.568 5.236 11.470 1.00 0.00 C ATOM 449 C VAL A 31 92.469 3.747 11.167 1.00 0.00 C ATOM 450 O VAL A 31 92.687 3.306 10.056 1.00 0.00 O ATOM 451 CB VAL A 31 91.181 5.860 11.334 1.00 0.00 C ATOM 452 CG1 VAL A 31 90.304 5.376 12.487 1.00 0.00 C ATOM 453 CG2 VAL A 31 91.297 7.391 11.387 1.00 0.00 C ATOM 0 H VAL A 31 93.196 5.879 9.535 1.00 0.00 H new ATOM 0 HA VAL A 31 92.945 5.377 12.483 1.00 0.00 H new ATOM 0 HB VAL A 31 90.737 5.566 10.383 1.00 0.00 H new ATOM 0 HG11 VAL A 31 89.311 5.817 12.399 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.224 4.290 12.452 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.751 5.676 13.435 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.306 7.835 11.290 1.00 0.00 H new ATOM 0 HG22 VAL A 31 91.737 7.690 12.339 1.00 0.00 H new ATOM 0 HG23 VAL A 31 91.931 7.736 10.570 1.00 0.00 H new ATOM 463 N THR A 32 92.125 2.975 12.161 1.00 0.00 N ATOM 464 CA THR A 32 91.981 1.501 11.978 1.00 0.00 C ATOM 465 C THR A 32 90.675 1.061 12.655 1.00 0.00 C ATOM 466 O THR A 32 90.402 1.417 13.784 1.00 0.00 O ATOM 467 CB THR A 32 93.188 0.790 12.635 1.00 0.00 C ATOM 468 OG1 THR A 32 94.002 1.762 13.275 1.00 0.00 O ATOM 469 CG2 THR A 32 94.032 0.046 11.590 1.00 0.00 C ATOM 0 H THR A 32 91.935 3.307 13.106 1.00 0.00 H new ATOM 0 HA THR A 32 91.953 1.242 10.920 1.00 0.00 H new ATOM 0 HB THR A 32 92.811 0.064 13.355 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.769 1.320 13.696 1.00 0.00 H new ATOM 0 HG21 THR A 32 94.872 -0.443 12.082 1.00 0.00 H new ATOM 0 HG22 THR A 32 93.417 -0.703 11.092 1.00 0.00 H new ATOM 0 HG23 THR A 32 94.407 0.756 10.853 1.00 0.00 H new ATOM 477 N LEU A 33 89.874 0.296 11.966 1.00 0.00 N ATOM 478 CA LEU A 33 88.575 -0.176 12.529 1.00 0.00 C ATOM 479 C LEU A 33 88.589 -1.703 12.601 1.00 0.00 C ATOM 480 O LEU A 33 88.630 -2.373 11.592 1.00 0.00 O ATOM 481 CB LEU A 33 87.448 0.278 11.579 1.00 0.00 C ATOM 482 CG LEU A 33 86.881 1.661 11.966 1.00 0.00 C ATOM 483 CD1 LEU A 33 85.889 1.524 13.120 1.00 0.00 C ATOM 484 CD2 LEU A 33 88.003 2.630 12.365 1.00 0.00 C ATOM 0 H LEU A 33 90.068 -0.028 11.019 1.00 0.00 H new ATOM 0 HA LEU A 33 88.418 0.233 13.527 1.00 0.00 H new ATOM 0 HB2 LEU A 33 87.829 0.316 10.558 1.00 0.00 H new ATOM 0 HB3 LEU A 33 86.645 -0.459 11.592 1.00 0.00 H new ATOM 0 HG LEU A 33 86.369 2.065 11.093 1.00 0.00 H new ATOM 0 HD11 LEU A 33 85.498 2.507 13.382 1.00 0.00 H new ATOM 0 HD12 LEU A 33 85.067 0.875 12.818 1.00 0.00 H new ATOM 0 HD13 LEU A 33 86.394 1.092 13.984 1.00 0.00 H new ATOM 0 HD21 LEU A 33 87.572 3.595 12.632 1.00 0.00 H new ATOM 0 HD22 LEU A 33 88.546 2.226 13.219 1.00 0.00 H new ATOM 0 HD23 LEU A 33 88.688 2.758 11.527 1.00 0.00 H new ATOM 496 N ARG A 34 88.526 -2.255 13.780 1.00 0.00 N ATOM 497 CA ARG A 34 88.512 -3.719 13.900 1.00 0.00 C ATOM 498 C ARG A 34 87.284 -4.241 13.197 1.00 0.00 C ATOM 499 O ARG A 34 86.191 -3.735 13.346 1.00 0.00 O ATOM 500 CB ARG A 34 88.523 -4.147 15.355 1.00 0.00 C ATOM 501 CG ARG A 34 88.566 -5.684 15.396 1.00 0.00 C ATOM 502 CD ARG A 34 87.164 -6.284 15.176 1.00 0.00 C ATOM 503 NE ARG A 34 86.944 -7.403 16.135 1.00 0.00 N ATOM 504 CZ ARG A 34 86.596 -7.150 17.367 1.00 0.00 C ATOM 505 NH1 ARG A 34 86.399 -8.133 18.203 1.00 0.00 N ATOM 506 NH2 ARG A 34 86.446 -5.916 17.763 1.00 0.00 N ATOM 0 H ARG A 34 88.484 -1.745 14.662 1.00 0.00 H new ATOM 0 HA ARG A 34 89.408 -4.133 13.438 1.00 0.00 H new ATOM 0 HB2 ARG A 34 89.387 -3.727 15.869 1.00 0.00 H new ATOM 0 HB3 ARG A 34 87.636 -3.776 15.868 1.00 0.00 H new ATOM 0 HG2 ARG A 34 89.247 -6.052 14.629 1.00 0.00 H new ATOM 0 HG3 ARG A 34 88.960 -6.014 16.357 1.00 0.00 H new ATOM 0 HD2 ARG A 34 86.403 -5.517 15.316 1.00 0.00 H new ATOM 0 HD3 ARG A 34 87.068 -6.645 14.152 1.00 0.00 H new ATOM 0 HE ARG A 34 87.066 -8.368 15.828 1.00 0.00 H new ATOM 0 HH11 ARG A 34 86.517 -9.098 17.893 1.00 0.00 H new ATOM 0 HH12 ARG A 34 86.127 -7.937 19.166 1.00 0.00 H new ATOM 0 HH21 ARG A 34 86.601 -5.148 17.109 1.00 0.00 H new ATOM 0 HH22 ARG A 34 86.174 -5.719 18.726 1.00 0.00 H new ATOM 520 N VAL A 35 87.479 -5.250 12.418 1.00 0.00 N ATOM 521 CA VAL A 35 86.353 -5.838 11.648 1.00 0.00 C ATOM 522 C VAL A 35 86.708 -7.251 11.202 1.00 0.00 C ATOM 523 O VAL A 35 87.704 -7.818 11.594 1.00 0.00 O ATOM 524 CB VAL A 35 86.099 -4.993 10.394 1.00 0.00 C ATOM 525 CG1 VAL A 35 85.480 -3.641 10.771 1.00 0.00 C ATOM 526 CG2 VAL A 35 87.422 -4.758 9.660 1.00 0.00 C ATOM 0 H VAL A 35 88.381 -5.704 12.275 1.00 0.00 H new ATOM 0 HA VAL A 35 85.468 -5.859 12.283 1.00 0.00 H new ATOM 0 HB VAL A 35 85.405 -5.529 9.747 1.00 0.00 H new ATOM 0 HG11 VAL A 35 85.307 -3.056 9.868 1.00 0.00 H new ATOM 0 HG12 VAL A 35 84.532 -3.805 11.284 1.00 0.00 H new ATOM 0 HG13 VAL A 35 86.160 -3.100 11.429 1.00 0.00 H new ATOM 0 HG21 VAL A 35 87.242 -4.157 8.768 1.00 0.00 H new ATOM 0 HG22 VAL A 35 88.115 -4.233 10.318 1.00 0.00 H new ATOM 0 HG23 VAL A 35 87.853 -5.717 9.371 1.00 0.00 H new ATOM 536 N THR A 36 85.894 -7.807 10.355 1.00 0.00 N ATOM 537 CA THR A 36 86.147 -9.170 9.834 1.00 0.00 C ATOM 538 C THR A 36 85.735 -9.178 8.367 1.00 0.00 C ATOM 539 O THR A 36 85.152 -8.236 7.874 1.00 0.00 O ATOM 540 CB THR A 36 85.311 -10.185 10.631 1.00 0.00 C ATOM 541 OG1 THR A 36 84.101 -9.573 11.048 1.00 0.00 O ATOM 542 CG2 THR A 36 86.091 -10.645 11.860 1.00 0.00 C ATOM 0 H THR A 36 85.048 -7.364 9.996 1.00 0.00 H new ATOM 0 HA THR A 36 87.198 -9.442 9.933 1.00 0.00 H new ATOM 0 HB THR A 36 85.091 -11.045 9.999 1.00 0.00 H new ATOM 0 HG1 THR A 36 83.566 -10.219 11.555 1.00 0.00 H new ATOM 0 HG21 THR A 36 85.494 -11.364 12.421 1.00 0.00 H new ATOM 0 HG22 THR A 36 87.023 -11.114 11.545 1.00 0.00 H new ATOM 0 HG23 THR A 36 86.313 -9.786 12.493 1.00 0.00 H new ATOM 550 N GLY A 37 86.030 -10.219 7.659 1.00 0.00 N ATOM 551 CA GLY A 37 85.643 -10.257 6.231 1.00 0.00 C ATOM 552 C GLY A 37 84.159 -10.574 6.135 1.00 0.00 C ATOM 553 O GLY A 37 83.730 -11.391 5.345 1.00 0.00 O ATOM 0 H GLY A 37 86.521 -11.044 8.004 1.00 0.00 H new ATOM 0 HA2 GLY A 37 85.856 -9.299 5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 37 86.225 -11.011 5.702 1.00 0.00 H new ATOM 557 N GLU A 38 83.371 -9.924 6.947 1.00 0.00 N ATOM 558 CA GLU A 38 81.905 -10.160 6.936 1.00 0.00 C ATOM 559 C GLU A 38 81.188 -8.841 7.228 1.00 0.00 C ATOM 560 O GLU A 38 79.978 -8.794 7.334 1.00 0.00 O ATOM 561 CB GLU A 38 81.550 -11.182 8.019 1.00 0.00 C ATOM 562 CG GLU A 38 81.744 -10.560 9.419 1.00 0.00 C ATOM 563 CD GLU A 38 80.431 -9.932 9.904 1.00 0.00 C ATOM 564 OE1 GLU A 38 80.432 -8.743 10.178 1.00 0.00 O ATOM 565 OE2 GLU A 38 79.450 -10.651 9.993 1.00 0.00 O ATOM 0 H GLU A 38 83.688 -9.231 7.625 1.00 0.00 H new ATOM 0 HA GLU A 38 81.597 -10.540 5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 38 80.517 -11.508 7.897 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.178 -12.067 7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 38 82.072 -11.325 10.123 1.00 0.00 H new ATOM 0 HG3 GLU A 38 82.527 -9.803 9.384 1.00 0.00 H new ATOM 572 N VAL A 39 81.922 -7.760 7.361 1.00 0.00 N ATOM 573 CA VAL A 39 81.269 -6.451 7.647 1.00 0.00 C ATOM 574 C VAL A 39 80.928 -5.740 6.342 1.00 0.00 C ATOM 575 O VAL A 39 81.725 -5.668 5.434 1.00 0.00 O ATOM 576 CB VAL A 39 82.203 -5.573 8.488 1.00 0.00 C ATOM 577 CG1 VAL A 39 82.842 -6.433 9.575 1.00 0.00 C ATOM 578 CG2 VAL A 39 83.296 -4.937 7.610 1.00 0.00 C ATOM 0 H VAL A 39 82.939 -7.732 7.284 1.00 0.00 H new ATOM 0 HA VAL A 39 80.350 -6.630 8.204 1.00 0.00 H new ATOM 0 HB VAL A 39 81.625 -4.768 8.941 1.00 0.00 H new ATOM 0 HG11 VAL A 39 83.509 -5.819 10.180 1.00 0.00 H new ATOM 0 HG12 VAL A 39 82.063 -6.856 10.209 1.00 0.00 H new ATOM 0 HG13 VAL A 39 83.411 -7.240 9.113 1.00 0.00 H new ATOM 0 HG21 VAL A 39 83.946 -4.319 8.229 1.00 0.00 H new ATOM 0 HG22 VAL A 39 83.885 -5.722 7.137 1.00 0.00 H new ATOM 0 HG23 VAL A 39 82.832 -4.319 6.842 1.00 0.00 H new ATOM 588 N HIS A 40 79.763 -5.191 6.248 1.00 0.00 N ATOM 589 CA HIS A 40 79.400 -4.467 5.001 1.00 0.00 C ATOM 590 C HIS A 40 80.188 -3.150 4.964 1.00 0.00 C ATOM 591 O HIS A 40 80.396 -2.518 5.980 1.00 0.00 O ATOM 592 CB HIS A 40 77.883 -4.197 4.976 1.00 0.00 C ATOM 593 CG HIS A 40 77.166 -5.246 5.783 1.00 0.00 C ATOM 594 ND1 HIS A 40 77.027 -5.153 7.158 1.00 0.00 N ATOM 595 CD2 HIS A 40 76.546 -6.416 5.421 1.00 0.00 C ATOM 596 CE1 HIS A 40 76.347 -6.238 7.571 1.00 0.00 C ATOM 597 NE2 HIS A 40 76.029 -7.041 6.552 1.00 0.00 N ATOM 0 H HIS A 40 79.045 -5.208 6.972 1.00 0.00 H new ATOM 0 HA HIS A 40 79.649 -5.066 4.125 1.00 0.00 H new ATOM 0 HB2 HIS A 40 77.674 -3.207 5.381 1.00 0.00 H new ATOM 0 HB3 HIS A 40 77.520 -4.204 3.948 1.00 0.00 H new ATOM 0 HD2 HIS A 40 76.471 -6.794 4.412 1.00 0.00 H new ATOM 0 HE1 HIS A 40 76.090 -6.436 8.601 1.00 0.00 H new ATOM 0 HE2 HIS A 40 75.517 -7.922 6.594 1.00 0.00 H new ATOM 605 N ILE A 41 80.637 -2.736 3.809 1.00 0.00 N ATOM 606 CA ILE A 41 81.415 -1.461 3.723 1.00 0.00 C ATOM 607 C ILE A 41 80.678 -0.369 4.491 1.00 0.00 C ATOM 608 O ILE A 41 81.215 0.256 5.382 1.00 0.00 O ATOM 609 CB ILE A 41 81.534 -1.037 2.262 1.00 0.00 C ATOM 610 CG1 ILE A 41 82.346 -2.073 1.488 1.00 0.00 C ATOM 611 CG2 ILE A 41 82.233 0.319 2.171 1.00 0.00 C ATOM 612 CD1 ILE A 41 82.195 -1.819 -0.013 1.00 0.00 C ATOM 0 H ILE A 41 80.500 -3.222 2.923 1.00 0.00 H new ATOM 0 HA ILE A 41 82.407 -1.613 4.148 1.00 0.00 H new ATOM 0 HB ILE A 41 80.535 -0.961 1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 41 83.396 -2.016 1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 41 82.003 -3.078 1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 41 82.315 0.617 1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 41 81.654 1.064 2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 41 83.229 0.245 2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 41 82.774 -2.558 -0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 41 81.144 -1.898 -0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 41 82.559 -0.820 -0.251 1.00 0.00 H new ATOM 624 N GLY A 42 79.445 -0.142 4.145 1.00 0.00 N ATOM 625 CA GLY A 42 78.650 0.902 4.844 1.00 0.00 C ATOM 626 C GLY A 42 78.657 0.598 6.334 1.00 0.00 C ATOM 627 O GLY A 42 78.234 1.393 7.150 1.00 0.00 O ATOM 0 H GLY A 42 78.950 -0.638 3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 42 79.073 1.889 4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 42 77.628 0.917 4.465 1.00 0.00 H new ATOM 631 N GLY A 43 79.161 -0.546 6.693 1.00 0.00 N ATOM 632 CA GLY A 43 79.231 -0.910 8.130 1.00 0.00 C ATOM 633 C GLY A 43 80.368 -0.109 8.753 1.00 0.00 C ATOM 634 O GLY A 43 80.358 0.222 9.922 1.00 0.00 O ATOM 0 H GLY A 43 79.529 -1.247 6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 43 78.287 -0.687 8.628 1.00 0.00 H new ATOM 0 HA3 GLY A 43 79.407 -1.979 8.246 1.00 0.00 H new ATOM 638 N VAL A 44 81.339 0.218 7.950 1.00 0.00 N ATOM 639 CA VAL A 44 82.496 1.018 8.429 1.00 0.00 C ATOM 640 C VAL A 44 82.097 2.500 8.389 1.00 0.00 C ATOM 641 O VAL A 44 82.399 3.255 9.292 1.00 0.00 O ATOM 642 CB VAL A 44 83.704 0.732 7.503 1.00 0.00 C ATOM 643 CG1 VAL A 44 84.596 1.971 7.362 1.00 0.00 C ATOM 644 CG2 VAL A 44 84.540 -0.409 8.088 1.00 0.00 C ATOM 0 H VAL A 44 81.380 -0.041 6.964 1.00 0.00 H new ATOM 0 HA VAL A 44 82.775 0.757 9.450 1.00 0.00 H new ATOM 0 HB VAL A 44 83.319 0.458 6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 44 85.436 1.742 6.707 1.00 0.00 H new ATOM 0 HG12 VAL A 44 84.016 2.790 6.936 1.00 0.00 H new ATOM 0 HG13 VAL A 44 84.970 2.263 8.343 1.00 0.00 H new ATOM 0 HG21 VAL A 44 85.390 -0.609 7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 44 84.901 -0.126 9.077 1.00 0.00 H new ATOM 0 HG23 VAL A 44 83.926 -1.306 8.169 1.00 0.00 H new ATOM 654 N MET A 45 81.405 2.918 7.355 1.00 0.00 N ATOM 655 CA MET A 45 80.972 4.347 7.274 1.00 0.00 C ATOM 656 C MET A 45 80.355 4.734 8.618 1.00 0.00 C ATOM 657 O MET A 45 80.480 5.849 9.082 1.00 0.00 O ATOM 658 CB MET A 45 79.903 4.507 6.178 1.00 0.00 C ATOM 659 CG MET A 45 80.539 4.527 4.777 1.00 0.00 C ATOM 660 SD MET A 45 79.440 5.410 3.630 1.00 0.00 S ATOM 661 CE MET A 45 78.154 4.141 3.454 1.00 0.00 C ATOM 0 H MET A 45 81.123 2.333 6.568 1.00 0.00 H new ATOM 0 HA MET A 45 81.828 4.980 7.040 1.00 0.00 H new ATOM 0 HB2 MET A 45 79.187 3.688 6.243 1.00 0.00 H new ATOM 0 HB3 MET A 45 79.347 5.430 6.341 1.00 0.00 H new ATOM 0 HG2 MET A 45 81.513 5.015 4.814 1.00 0.00 H new ATOM 0 HG3 MET A 45 80.706 3.509 4.427 1.00 0.00 H new ATOM 0 HE1 MET A 45 77.305 4.556 2.911 1.00 0.00 H new ATOM 0 HE2 MET A 45 78.556 3.290 2.904 1.00 0.00 H new ATOM 0 HE3 MET A 45 77.828 3.814 4.441 1.00 0.00 H new ATOM 671 N LEU A 46 79.685 3.806 9.237 1.00 0.00 N ATOM 672 CA LEU A 46 79.044 4.091 10.549 1.00 0.00 C ATOM 673 C LEU A 46 80.114 4.175 11.648 1.00 0.00 C ATOM 674 O LEU A 46 80.327 5.212 12.243 1.00 0.00 O ATOM 675 CB LEU A 46 78.057 2.957 10.885 1.00 0.00 C ATOM 676 CG LEU A 46 76.978 3.462 11.882 1.00 0.00 C ATOM 677 CD1 LEU A 46 75.746 3.981 11.126 1.00 0.00 C ATOM 678 CD2 LEU A 46 76.544 2.320 12.810 1.00 0.00 C ATOM 0 H LEU A 46 79.553 2.856 8.889 1.00 0.00 H new ATOM 0 HA LEU A 46 78.514 5.042 10.493 1.00 0.00 H new ATOM 0 HB2 LEU A 46 77.580 2.598 9.973 1.00 0.00 H new ATOM 0 HB3 LEU A 46 78.595 2.113 11.317 1.00 0.00 H new ATOM 0 HG LEU A 46 77.411 4.273 12.468 1.00 0.00 H new ATOM 0 HD11 LEU A 46 75.001 4.330 11.841 1.00 0.00 H new ATOM 0 HD12 LEU A 46 76.039 4.805 10.475 1.00 0.00 H new ATOM 0 HD13 LEU A 46 75.323 3.177 10.525 1.00 0.00 H new ATOM 0 HD21 LEU A 46 75.787 2.684 13.505 1.00 0.00 H new ATOM 0 HD22 LEU A 46 76.129 1.506 12.216 1.00 0.00 H new ATOM 0 HD23 LEU A 46 77.407 1.958 13.369 1.00 0.00 H new ATOM 690 N LYS A 47 80.771 3.082 11.930 1.00 0.00 N ATOM 691 CA LYS A 47 81.809 3.080 13.007 1.00 0.00 C ATOM 692 C LYS A 47 82.780 4.249 12.828 1.00 0.00 C ATOM 693 O LYS A 47 82.924 5.080 13.699 1.00 0.00 O ATOM 694 CB LYS A 47 82.599 1.771 12.962 1.00 0.00 C ATOM 695 CG LYS A 47 81.640 0.581 12.963 1.00 0.00 C ATOM 696 CD LYS A 47 82.439 -0.714 12.785 1.00 0.00 C ATOM 697 CE LYS A 47 81.480 -1.891 12.590 1.00 0.00 C ATOM 698 NZ LYS A 47 80.849 -2.240 13.894 1.00 0.00 N ATOM 0 H LYS A 47 80.635 2.187 11.461 1.00 0.00 H new ATOM 0 HA LYS A 47 81.303 3.180 13.967 1.00 0.00 H new ATOM 0 HB2 LYS A 47 83.224 1.744 12.069 1.00 0.00 H new ATOM 0 HB3 LYS A 47 83.268 1.710 13.821 1.00 0.00 H new ATOM 0 HG2 LYS A 47 81.081 0.551 13.898 1.00 0.00 H new ATOM 0 HG3 LYS A 47 80.912 0.686 12.159 1.00 0.00 H new ATOM 0 HD2 LYS A 47 83.103 -0.627 11.925 1.00 0.00 H new ATOM 0 HD3 LYS A 47 83.069 -0.887 13.658 1.00 0.00 H new ATOM 0 HE2 LYS A 47 80.713 -1.632 11.861 1.00 0.00 H new ATOM 0 HE3 LYS A 47 82.019 -2.751 12.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 80.223 -3.061 13.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 81.589 -2.472 14.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 80.293 -1.431 14.238 1.00 0.00 H new ATOM 712 N LEU A 48 83.465 4.312 11.718 1.00 0.00 N ATOM 713 CA LEU A 48 84.439 5.425 11.506 1.00 0.00 C ATOM 714 C LEU A 48 83.791 6.755 11.918 1.00 0.00 C ATOM 715 O LEU A 48 84.309 7.482 12.742 1.00 0.00 O ATOM 716 CB LEU A 48 84.858 5.460 10.009 1.00 0.00 C ATOM 717 CG LEU A 48 86.377 5.284 9.870 1.00 0.00 C ATOM 718 CD1 LEU A 48 86.752 5.007 8.426 1.00 0.00 C ATOM 719 CD2 LEU A 48 87.093 6.553 10.317 1.00 0.00 C ATOM 0 H LEU A 48 83.394 3.644 10.950 1.00 0.00 H new ATOM 0 HA LEU A 48 85.328 5.266 12.117 1.00 0.00 H new ATOM 0 HB2 LEU A 48 84.343 4.670 9.463 1.00 0.00 H new ATOM 0 HB3 LEU A 48 84.554 6.407 9.562 1.00 0.00 H new ATOM 0 HG LEU A 48 86.677 4.443 10.495 1.00 0.00 H new ATOM 0 HD11 LEU A 48 87.832 4.885 8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 48 86.259 4.095 8.091 1.00 0.00 H new ATOM 0 HD13 LEU A 48 86.435 5.842 7.801 1.00 0.00 H new ATOM 0 HD21 LEU A 48 88.170 6.418 10.215 1.00 0.00 H new ATOM 0 HD22 LEU A 48 86.771 7.390 9.697 1.00 0.00 H new ATOM 0 HD23 LEU A 48 86.851 6.760 11.359 1.00 0.00 H new ATOM 731 N VAL A 49 82.664 7.073 11.351 1.00 0.00 N ATOM 732 CA VAL A 49 81.985 8.350 11.709 1.00 0.00 C ATOM 733 C VAL A 49 81.733 8.403 13.221 1.00 0.00 C ATOM 734 O VAL A 49 82.029 9.386 13.870 1.00 0.00 O ATOM 735 CB VAL A 49 80.653 8.440 10.964 1.00 0.00 C ATOM 736 CG1 VAL A 49 79.876 9.669 11.445 1.00 0.00 C ATOM 737 CG2 VAL A 49 80.920 8.557 9.460 1.00 0.00 C ATOM 0 H VAL A 49 82.182 6.505 10.655 1.00 0.00 H new ATOM 0 HA VAL A 49 82.621 9.188 11.426 1.00 0.00 H new ATOM 0 HB VAL A 49 80.065 7.544 11.161 1.00 0.00 H new ATOM 0 HG11 VAL A 49 78.927 9.731 10.912 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.687 9.584 12.515 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.461 10.568 11.250 1.00 0.00 H new ATOM 0 HG21 VAL A 49 79.972 8.621 8.926 1.00 0.00 H new ATOM 0 HG22 VAL A 49 81.509 9.453 9.264 1.00 0.00 H new ATOM 0 HG23 VAL A 49 81.470 7.680 9.119 1.00 0.00 H new ATOM 747 N GLU A 50 81.182 7.359 13.789 1.00 0.00 N ATOM 748 CA GLU A 50 80.910 7.367 15.260 1.00 0.00 C ATOM 749 C GLU A 50 82.144 7.876 16.007 1.00 0.00 C ATOM 750 O GLU A 50 82.044 8.618 16.964 1.00 0.00 O ATOM 751 CB GLU A 50 80.594 5.947 15.747 1.00 0.00 C ATOM 752 CG GLU A 50 79.229 5.493 15.219 1.00 0.00 C ATOM 753 CD GLU A 50 78.114 6.178 16.011 1.00 0.00 C ATOM 754 OE1 GLU A 50 78.429 7.027 16.828 1.00 0.00 O ATOM 755 OE2 GLU A 50 76.964 5.839 15.788 1.00 0.00 O ATOM 0 H GLU A 50 80.910 6.506 13.301 1.00 0.00 H new ATOM 0 HA GLU A 50 80.058 8.018 15.453 1.00 0.00 H new ATOM 0 HB2 GLU A 50 81.369 5.259 15.409 1.00 0.00 H new ATOM 0 HB3 GLU A 50 80.597 5.920 16.837 1.00 0.00 H new ATOM 0 HG2 GLU A 50 79.139 5.737 14.161 1.00 0.00 H new ATOM 0 HG3 GLU A 50 79.137 4.410 15.306 1.00 0.00 H new ATOM 762 N LYS A 51 83.306 7.465 15.585 1.00 0.00 N ATOM 763 CA LYS A 51 84.551 7.897 16.270 1.00 0.00 C ATOM 764 C LYS A 51 84.911 9.336 15.890 1.00 0.00 C ATOM 765 O LYS A 51 85.401 10.092 16.706 1.00 0.00 O ATOM 766 CB LYS A 51 85.681 6.962 15.855 1.00 0.00 C ATOM 767 CG LYS A 51 85.268 5.519 16.150 1.00 0.00 C ATOM 768 CD LYS A 51 86.372 4.566 15.689 1.00 0.00 C ATOM 769 CE LYS A 51 86.184 3.200 16.355 1.00 0.00 C ATOM 770 NZ LYS A 51 87.316 2.304 15.985 1.00 0.00 N ATOM 0 H LYS A 51 83.446 6.843 14.788 1.00 0.00 H new ATOM 0 HA LYS A 51 84.399 7.858 17.349 1.00 0.00 H new ATOM 0 HB2 LYS A 51 85.898 7.082 14.794 1.00 0.00 H new ATOM 0 HB3 LYS A 51 86.593 7.211 16.397 1.00 0.00 H new ATOM 0 HG2 LYS A 51 85.087 5.393 17.217 1.00 0.00 H new ATOM 0 HG3 LYS A 51 84.334 5.285 15.638 1.00 0.00 H new ATOM 0 HD2 LYS A 51 86.345 4.460 14.605 1.00 0.00 H new ATOM 0 HD3 LYS A 51 87.349 4.975 15.945 1.00 0.00 H new ATOM 0 HE2 LYS A 51 86.137 3.315 17.438 1.00 0.00 H new ATOM 0 HE3 LYS A 51 85.239 2.758 16.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 87.002 1.313 16.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 87.635 2.528 15.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 88.102 2.444 16.651 1.00 0.00 H new ATOM 784 N LEU A 52 84.686 9.726 14.665 1.00 0.00 N ATOM 785 CA LEU A 52 85.027 11.101 14.252 1.00 0.00 C ATOM 786 C LEU A 52 84.240 12.090 15.120 1.00 0.00 C ATOM 787 O LEU A 52 84.804 12.838 15.890 1.00 0.00 O ATOM 788 CB LEU A 52 84.653 11.248 12.762 1.00 0.00 C ATOM 789 CG LEU A 52 85.786 11.898 11.947 1.00 0.00 C ATOM 790 CD1 LEU A 52 86.400 13.102 12.696 1.00 0.00 C ATOM 791 CD2 LEU A 52 86.871 10.849 11.646 1.00 0.00 C ATOM 0 H LEU A 52 84.278 9.142 13.935 1.00 0.00 H new ATOM 0 HA LEU A 52 86.090 11.307 14.381 1.00 0.00 H new ATOM 0 HB2 LEU A 52 84.424 10.267 12.347 1.00 0.00 H new ATOM 0 HB3 LEU A 52 83.749 11.851 12.672 1.00 0.00 H new ATOM 0 HG LEU A 52 85.367 12.269 11.012 1.00 0.00 H new ATOM 0 HD11 LEU A 52 87.197 13.538 12.093 1.00 0.00 H new ATOM 0 HD12 LEU A 52 85.629 13.851 12.874 1.00 0.00 H new ATOM 0 HD13 LEU A 52 86.808 12.767 13.650 1.00 0.00 H new ATOM 0 HD21 LEU A 52 87.673 11.310 11.069 1.00 0.00 H new ATOM 0 HD22 LEU A 52 87.274 10.463 12.582 1.00 0.00 H new ATOM 0 HD23 LEU A 52 86.436 10.030 11.073 1.00 0.00 H new ATOM 803 N ASP A 53 82.942 12.078 14.993 1.00 0.00 N ATOM 804 CA ASP A 53 82.081 12.985 15.797 1.00 0.00 C ATOM 805 C ASP A 53 82.317 14.423 15.378 1.00 0.00 C ATOM 806 O ASP A 53 83.031 15.168 16.019 1.00 0.00 O ATOM 807 CB ASP A 53 82.415 12.803 17.268 1.00 0.00 C ATOM 808 CG ASP A 53 81.241 13.262 18.139 1.00 0.00 C ATOM 809 OD1 ASP A 53 80.171 12.692 18.004 1.00 0.00 O ATOM 810 OD2 ASP A 53 81.434 14.175 18.924 1.00 0.00 O ATOM 0 H ASP A 53 82.434 11.466 14.354 1.00 0.00 H new ATOM 0 HA ASP A 53 81.031 12.745 15.631 1.00 0.00 H new ATOM 0 HB2 ASP A 53 82.639 11.756 17.470 1.00 0.00 H new ATOM 0 HB3 ASP A 53 83.308 13.375 17.519 1.00 0.00 H new ATOM 815 N VAL A 54 81.728 14.807 14.297 1.00 0.00 N ATOM 816 CA VAL A 54 81.919 16.192 13.810 1.00 0.00 C ATOM 817 C VAL A 54 80.960 16.477 12.656 1.00 0.00 C ATOM 818 O VAL A 54 80.648 15.611 11.865 1.00 0.00 O ATOM 819 CB VAL A 54 83.367 16.335 13.352 1.00 0.00 C ATOM 820 CG1 VAL A 54 83.705 15.180 12.413 1.00 0.00 C ATOM 821 CG2 VAL A 54 83.564 17.672 12.631 1.00 0.00 C ATOM 0 H VAL A 54 81.119 14.223 13.724 1.00 0.00 H new ATOM 0 HA VAL A 54 81.709 16.908 14.604 1.00 0.00 H new ATOM 0 HB VAL A 54 84.028 16.310 14.218 1.00 0.00 H new ATOM 0 HG11 VAL A 54 84.739 15.273 12.080 1.00 0.00 H new ATOM 0 HG12 VAL A 54 83.577 14.234 12.939 1.00 0.00 H new ATOM 0 HG13 VAL A 54 83.041 15.207 11.549 1.00 0.00 H new ATOM 0 HG21 VAL A 54 84.601 17.762 12.309 1.00 0.00 H new ATOM 0 HG22 VAL A 54 82.909 17.716 11.761 1.00 0.00 H new ATOM 0 HG23 VAL A 54 83.322 18.490 13.309 1.00 0.00 H new ATOM 831 N LYS A 55 80.492 17.689 12.553 1.00 0.00 N ATOM 832 CA LYS A 55 79.554 18.036 11.451 1.00 0.00 C ATOM 833 C LYS A 55 80.313 17.984 10.115 1.00 0.00 C ATOM 834 O LYS A 55 80.052 18.756 9.213 1.00 0.00 O ATOM 835 CB LYS A 55 78.989 19.458 11.707 1.00 0.00 C ATOM 836 CG LYS A 55 77.445 19.507 11.562 1.00 0.00 C ATOM 837 CD LYS A 55 77.055 19.903 10.130 1.00 0.00 C ATOM 838 CE LYS A 55 75.534 20.043 10.036 1.00 0.00 C ATOM 839 NZ LYS A 55 75.123 21.363 10.592 1.00 0.00 N ATOM 0 H LYS A 55 80.719 18.456 13.186 1.00 0.00 H new ATOM 0 HA LYS A 55 78.726 17.328 11.411 1.00 0.00 H new ATOM 0 HB2 LYS A 55 79.269 19.784 12.709 1.00 0.00 H new ATOM 0 HB3 LYS A 55 79.441 20.159 11.005 1.00 0.00 H new ATOM 0 HG2 LYS A 55 77.019 18.534 11.806 1.00 0.00 H new ATOM 0 HG3 LYS A 55 77.029 20.223 12.270 1.00 0.00 H new ATOM 0 HD2 LYS A 55 77.535 20.843 9.858 1.00 0.00 H new ATOM 0 HD3 LYS A 55 77.406 19.150 9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 55 75.213 19.958 8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 55 75.049 19.237 10.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 74.250 21.250 11.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 75.877 21.731 11.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 74.955 22.031 9.813 1.00 0.00 H new ATOM 853 N LYS A 56 81.247 17.079 9.981 1.00 0.00 N ATOM 854 CA LYS A 56 82.010 16.982 8.708 1.00 0.00 C ATOM 855 C LYS A 56 81.147 16.273 7.668 1.00 0.00 C ATOM 856 O LYS A 56 80.189 15.603 7.996 1.00 0.00 O ATOM 857 CB LYS A 56 83.291 16.176 8.942 1.00 0.00 C ATOM 858 CG LYS A 56 84.123 16.132 7.654 1.00 0.00 C ATOM 859 CD LYS A 56 85.537 15.596 7.956 1.00 0.00 C ATOM 860 CE LYS A 56 86.463 16.746 8.375 1.00 0.00 C ATOM 861 NZ LYS A 56 86.546 17.744 7.271 1.00 0.00 N ATOM 0 H LYS A 56 81.512 16.405 10.699 1.00 0.00 H new ATOM 0 HA LYS A 56 82.271 17.980 8.355 1.00 0.00 H new ATOM 0 HB2 LYS A 56 83.873 16.627 9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 56 83.041 15.163 9.259 1.00 0.00 H new ATOM 0 HG2 LYS A 56 83.634 15.495 6.917 1.00 0.00 H new ATOM 0 HG3 LYS A 56 84.189 17.130 7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 56 85.489 14.851 8.750 1.00 0.00 H new ATOM 0 HD3 LYS A 56 85.941 15.098 7.075 1.00 0.00 H new ATOM 0 HE2 LYS A 56 86.085 17.220 9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 56 87.456 16.361 8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 87.469 18.222 7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 86.439 17.260 6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 85.788 18.447 7.381 1.00 0.00 H new ATOM 875 N ASP A 57 81.474 16.414 6.417 1.00 0.00 N ATOM 876 CA ASP A 57 80.671 15.751 5.365 1.00 0.00 C ATOM 877 C ASP A 57 81.031 14.271 5.324 1.00 0.00 C ATOM 878 O ASP A 57 81.929 13.857 4.618 1.00 0.00 O ATOM 879 CB ASP A 57 80.981 16.393 4.014 1.00 0.00 C ATOM 880 CG ASP A 57 80.880 17.915 4.134 1.00 0.00 C ATOM 881 OD1 ASP A 57 81.880 18.575 3.907 1.00 0.00 O ATOM 882 OD2 ASP A 57 79.803 18.394 4.449 1.00 0.00 O ATOM 0 H ASP A 57 82.265 16.962 6.080 1.00 0.00 H new ATOM 0 HA ASP A 57 79.609 15.863 5.582 1.00 0.00 H new ATOM 0 HB2 ASP A 57 81.981 16.109 3.686 1.00 0.00 H new ATOM 0 HB3 ASP A 57 80.283 16.030 3.259 1.00 0.00 H new ATOM 887 N TRP A 58 80.333 13.467 6.073 1.00 0.00 N ATOM 888 CA TRP A 58 80.628 12.015 6.075 1.00 0.00 C ATOM 889 C TRP A 58 80.144 11.404 4.759 1.00 0.00 C ATOM 890 O TRP A 58 80.895 10.804 4.022 1.00 0.00 O ATOM 891 CB TRP A 58 79.863 11.339 7.208 1.00 0.00 C ATOM 892 CG TRP A 58 80.110 11.997 8.530 1.00 0.00 C ATOM 893 CD1 TRP A 58 81.297 12.472 8.975 1.00 0.00 C ATOM 894 CD2 TRP A 58 79.148 12.235 9.597 1.00 0.00 C ATOM 895 NE1 TRP A 58 81.118 12.984 10.254 1.00 0.00 N ATOM 896 CE2 TRP A 58 79.810 12.861 10.676 1.00 0.00 C ATOM 897 CE3 TRP A 58 77.772 11.969 9.727 1.00 0.00 C ATOM 898 CZ2 TRP A 58 79.132 13.208 11.847 1.00 0.00 C ATOM 899 CZ3 TRP A 58 77.088 12.318 10.901 1.00 0.00 C ATOM 900 CH2 TRP A 58 77.767 12.935 11.960 1.00 0.00 C ATOM 0 H TRP A 58 79.570 13.756 6.684 1.00 0.00 H new ATOM 0 HA TRP A 58 81.701 11.870 6.200 1.00 0.00 H new ATOM 0 HB2 TRP A 58 78.796 11.361 6.987 1.00 0.00 H new ATOM 0 HB3 TRP A 58 80.155 10.290 7.266 1.00 0.00 H new ATOM 0 HD1 TRP A 58 82.228 12.456 8.427 1.00 0.00 H new ATOM 0 HE1 TRP A 58 81.863 13.400 10.813 1.00 0.00 H new ATOM 0 HE3 TRP A 58 77.239 11.493 8.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 79.660 13.684 12.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 76.032 12.110 10.989 1.00 0.00 H new ATOM 0 HH2 TRP A 58 77.236 13.199 12.862 1.00 0.00 H new ATOM 911 N SER A 59 78.875 11.546 4.482 1.00 0.00 N ATOM 912 CA SER A 59 78.287 10.969 3.236 1.00 0.00 C ATOM 913 C SER A 59 79.217 11.197 2.054 1.00 0.00 C ATOM 914 O SER A 59 79.639 10.268 1.395 1.00 0.00 O ATOM 915 CB SER A 59 76.956 11.655 2.961 1.00 0.00 C ATOM 916 OG SER A 59 76.331 11.046 1.840 1.00 0.00 O ATOM 0 H SER A 59 78.211 12.044 5.075 1.00 0.00 H new ATOM 0 HA SER A 59 78.145 9.897 3.370 1.00 0.00 H new ATOM 0 HB2 SER A 59 76.310 11.581 3.835 1.00 0.00 H new ATOM 0 HB3 SER A 59 77.115 12.716 2.770 1.00 0.00 H new ATOM 0 HG SER A 59 75.643 10.420 2.149 1.00 0.00 H new ATOM 922 N ASP A 60 79.554 12.424 1.784 1.00 0.00 N ATOM 923 CA ASP A 60 80.472 12.698 0.651 1.00 0.00 C ATOM 924 C ASP A 60 81.725 11.851 0.852 1.00 0.00 C ATOM 925 O ASP A 60 82.209 11.201 -0.052 1.00 0.00 O ATOM 926 CB ASP A 60 80.834 14.186 0.650 1.00 0.00 C ATOM 927 CG ASP A 60 81.997 14.440 -0.314 1.00 0.00 C ATOM 928 OD1 ASP A 60 82.144 13.672 -1.250 1.00 0.00 O ATOM 929 OD2 ASP A 60 82.720 15.399 -0.099 1.00 0.00 O ATOM 0 H ASP A 60 79.234 13.246 2.297 1.00 0.00 H new ATOM 0 HA ASP A 60 80.004 12.451 -0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 60 79.969 14.779 0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 60 81.109 14.503 1.656 1.00 0.00 H new ATOM 934 N HIS A 61 82.237 11.854 2.048 1.00 0.00 N ATOM 935 CA HIS A 61 83.451 11.061 2.360 1.00 0.00 C ATOM 936 C HIS A 61 83.108 9.573 2.412 1.00 0.00 C ATOM 937 O HIS A 61 82.288 9.133 3.190 1.00 0.00 O ATOM 938 CB HIS A 61 83.996 11.512 3.712 1.00 0.00 C ATOM 939 CG HIS A 61 84.384 12.967 3.645 1.00 0.00 C ATOM 940 ND1 HIS A 61 84.482 13.757 4.780 1.00 0.00 N ATOM 941 CD2 HIS A 61 84.697 13.789 2.590 1.00 0.00 C ATOM 942 CE1 HIS A 61 84.839 14.993 4.383 1.00 0.00 C ATOM 943 NE2 HIS A 61 84.983 15.067 3.059 1.00 0.00 N ATOM 0 H HIS A 61 81.858 12.382 2.834 1.00 0.00 H new ATOM 0 HA HIS A 61 84.201 11.218 1.584 1.00 0.00 H new ATOM 0 HB2 HIS A 61 83.244 11.362 4.486 1.00 0.00 H new ATOM 0 HB3 HIS A 61 84.861 10.908 3.986 1.00 0.00 H new ATOM 0 HD2 HIS A 61 84.718 13.488 1.553 1.00 0.00 H new ATOM 0 HE1 HIS A 61 84.991 15.824 5.056 1.00 0.00 H new ATOM 0 HE2 HIS A 61 85.246 15.885 2.509 1.00 0.00 H new ATOM 951 N ALA A 62 83.748 8.796 1.584 1.00 0.00 N ATOM 952 CA ALA A 62 83.496 7.326 1.556 1.00 0.00 C ATOM 953 C ALA A 62 84.845 6.613 1.512 1.00 0.00 C ATOM 954 O ALA A 62 85.879 7.249 1.472 1.00 0.00 O ATOM 955 CB ALA A 62 82.684 6.990 0.305 1.00 0.00 C ATOM 0 H ALA A 62 84.446 9.121 0.915 1.00 0.00 H new ATOM 0 HA ALA A 62 82.941 7.008 2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 62 82.493 5.917 0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 62 81.736 7.527 0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 62 83.244 7.286 -0.582 1.00 0.00 H new ATOM 961 N LEU A 63 84.861 5.303 1.523 1.00 0.00 N ATOM 962 CA LEU A 63 86.173 4.584 1.488 1.00 0.00 C ATOM 963 C LEU A 63 86.526 4.226 0.045 1.00 0.00 C ATOM 964 O LEU A 63 85.681 3.857 -0.747 1.00 0.00 O ATOM 965 CB LEU A 63 86.108 3.306 2.327 1.00 0.00 C ATOM 966 CG LEU A 63 85.609 3.611 3.747 1.00 0.00 C ATOM 967 CD1 LEU A 63 86.446 4.738 4.369 1.00 0.00 C ATOM 968 CD2 LEU A 63 84.113 4.007 3.737 1.00 0.00 C ATOM 0 H LEU A 63 84.034 4.706 1.554 1.00 0.00 H new ATOM 0 HA LEU A 63 86.939 5.239 1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 63 85.443 2.586 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 63 87.095 2.846 2.374 1.00 0.00 H new ATOM 0 HG LEU A 63 85.719 2.708 4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 63 86.084 4.947 5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 63 87.491 4.432 4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 63 86.358 5.636 3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 63 83.786 4.218 4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 63 83.976 4.895 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 63 83.522 3.187 3.328 1.00 0.00 H new ATOM 980 N TRP A 64 87.783 4.356 -0.296 1.00 0.00 N ATOM 981 CA TRP A 64 88.250 4.052 -1.689 1.00 0.00 C ATOM 982 C TRP A 64 89.427 3.068 -1.597 1.00 0.00 C ATOM 983 O TRP A 64 90.135 3.035 -0.611 1.00 0.00 O ATOM 984 CB TRP A 64 88.624 5.413 -2.361 1.00 0.00 C ATOM 985 CG TRP A 64 90.078 5.531 -2.741 1.00 0.00 C ATOM 986 CD1 TRP A 64 91.136 5.329 -1.919 1.00 0.00 C ATOM 987 CD2 TRP A 64 90.637 5.938 -4.026 1.00 0.00 C ATOM 988 NE1 TRP A 64 92.303 5.541 -2.631 1.00 0.00 N ATOM 989 CE2 TRP A 64 92.048 5.926 -3.930 1.00 0.00 C ATOM 990 CE3 TRP A 64 90.060 6.298 -5.257 1.00 0.00 C ATOM 991 CZ2 TRP A 64 92.858 6.265 -5.015 1.00 0.00 C ATOM 992 CZ3 TRP A 64 90.872 6.643 -6.350 1.00 0.00 C ATOM 993 CH2 TRP A 64 92.269 6.626 -6.229 1.00 0.00 C ATOM 0 H TRP A 64 88.519 4.664 0.340 1.00 0.00 H new ATOM 0 HA TRP A 64 87.486 3.575 -2.304 1.00 0.00 H new ATOM 0 HB2 TRP A 64 88.014 5.545 -3.255 1.00 0.00 H new ATOM 0 HB3 TRP A 64 88.370 6.225 -1.679 1.00 0.00 H new ATOM 0 HD1 TRP A 64 91.078 5.048 -0.878 1.00 0.00 H new ATOM 0 HE1 TRP A 64 93.239 5.426 -2.242 1.00 0.00 H new ATOM 0 HE3 TRP A 64 88.985 6.309 -5.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 93.933 6.248 -4.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 90.418 6.923 -7.289 1.00 0.00 H new ATOM 0 HH2 TRP A 64 92.888 6.892 -7.073 1.00 0.00 H new ATOM 1004 N TRP A 65 89.623 2.243 -2.600 1.00 0.00 N ATOM 1005 CA TRP A 65 90.749 1.250 -2.556 1.00 0.00 C ATOM 1006 C TRP A 65 91.816 1.676 -3.563 1.00 0.00 C ATOM 1007 O TRP A 65 91.734 1.355 -4.723 1.00 0.00 O ATOM 1008 CB TRP A 65 90.227 -0.145 -2.927 1.00 0.00 C ATOM 1009 CG TRP A 65 91.224 -1.204 -2.536 1.00 0.00 C ATOM 1010 CD1 TRP A 65 92.491 -0.982 -2.097 1.00 0.00 C ATOM 1011 CD2 TRP A 65 91.053 -2.653 -2.552 1.00 0.00 C ATOM 1012 NE1 TRP A 65 93.096 -2.197 -1.841 1.00 0.00 N ATOM 1013 CE2 TRP A 65 92.254 -3.256 -2.108 1.00 0.00 C ATOM 1014 CE3 TRP A 65 89.983 -3.494 -2.906 1.00 0.00 C ATOM 1015 CZ2 TRP A 65 92.387 -4.642 -2.018 1.00 0.00 C ATOM 1016 CZ3 TRP A 65 90.115 -4.889 -2.818 1.00 0.00 C ATOM 1017 CH2 TRP A 65 91.315 -5.461 -2.375 1.00 0.00 C ATOM 0 H TRP A 65 89.054 2.213 -3.446 1.00 0.00 H new ATOM 0 HA TRP A 65 91.172 1.216 -1.552 1.00 0.00 H new ATOM 0 HB2 TRP A 65 89.277 -0.329 -2.426 1.00 0.00 H new ATOM 0 HB3 TRP A 65 90.037 -0.195 -3.999 1.00 0.00 H new ATOM 0 HD1 TRP A 65 92.950 -0.013 -1.969 1.00 0.00 H new ATOM 0 HE1 TRP A 65 94.050 -2.299 -1.496 1.00 0.00 H new ATOM 0 HE3 TRP A 65 89.053 -3.064 -3.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 93.313 -5.078 -1.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 89.287 -5.525 -3.093 1.00 0.00 H new ATOM 0 HH2 TRP A 65 91.410 -6.535 -2.310 1.00 0.00 H new ATOM 1028 N GLU A 66 92.808 2.407 -3.129 1.00 0.00 N ATOM 1029 CA GLU A 66 93.870 2.868 -4.075 1.00 0.00 C ATOM 1030 C GLU A 66 94.498 1.686 -4.805 1.00 0.00 C ATOM 1031 O GLU A 66 95.034 1.838 -5.880 1.00 0.00 O ATOM 1032 CB GLU A 66 94.953 3.614 -3.313 1.00 0.00 C ATOM 1033 CG GLU A 66 95.392 2.779 -2.116 1.00 0.00 C ATOM 1034 CD GLU A 66 96.443 3.545 -1.309 1.00 0.00 C ATOM 1035 OE1 GLU A 66 97.434 2.939 -0.940 1.00 0.00 O ATOM 1036 OE2 GLU A 66 96.237 4.724 -1.076 1.00 0.00 O ATOM 0 H GLU A 66 92.930 2.705 -2.161 1.00 0.00 H new ATOM 0 HA GLU A 66 93.407 3.530 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 66 95.804 3.810 -3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 66 94.578 4.581 -2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 66 94.533 2.549 -1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 66 95.802 1.828 -2.455 1.00 0.00 H new ATOM 1043 N LYS A 67 94.436 0.506 -4.261 1.00 0.00 N ATOM 1044 CA LYS A 67 95.027 -0.640 -5.001 1.00 0.00 C ATOM 1045 C LYS A 67 94.133 -0.870 -6.210 1.00 0.00 C ATOM 1046 O LYS A 67 94.428 -1.647 -7.097 1.00 0.00 O ATOM 1047 CB LYS A 67 95.041 -1.906 -4.139 1.00 0.00 C ATOM 1048 CG LYS A 67 95.657 -1.618 -2.770 1.00 0.00 C ATOM 1049 CD LYS A 67 97.098 -1.132 -2.930 1.00 0.00 C ATOM 1050 CE LYS A 67 97.829 -1.242 -1.584 1.00 0.00 C ATOM 1051 NZ LYS A 67 98.380 -2.618 -1.431 1.00 0.00 N ATOM 0 H LYS A 67 94.013 0.287 -3.359 1.00 0.00 H new ATOM 0 HA LYS A 67 96.057 -0.422 -5.282 1.00 0.00 H new ATOM 0 HB2 LYS A 67 94.024 -2.279 -4.015 1.00 0.00 H new ATOM 0 HB3 LYS A 67 95.609 -2.689 -4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 67 95.067 -0.864 -2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 67 95.635 -2.519 -2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 67 97.612 -1.727 -3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 67 97.108 -0.099 -3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 67 98.634 -0.508 -1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 67 97.144 -1.020 -0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 98.875 -2.694 -0.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 97.603 -3.308 -1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 99.047 -2.813 -2.205 1.00 0.00 H new ATOM 1065 N LYS A 68 93.016 -0.192 -6.218 1.00 0.00 N ATOM 1066 CA LYS A 68 92.026 -0.326 -7.319 1.00 0.00 C ATOM 1067 C LYS A 68 91.575 1.070 -7.759 1.00 0.00 C ATOM 1068 O LYS A 68 90.903 1.223 -8.759 1.00 0.00 O ATOM 1069 CB LYS A 68 90.797 -1.110 -6.809 1.00 0.00 C ATOM 1070 CG LYS A 68 91.211 -2.197 -5.803 1.00 0.00 C ATOM 1071 CD LYS A 68 91.832 -3.381 -6.549 1.00 0.00 C ATOM 1072 CE LYS A 68 92.582 -4.292 -5.563 1.00 0.00 C ATOM 1073 NZ LYS A 68 92.539 -5.696 -6.061 1.00 0.00 N ATOM 0 H LYS A 68 92.745 0.465 -5.487 1.00 0.00 H new ATOM 0 HA LYS A 68 92.480 -0.854 -8.157 1.00 0.00 H new ATOM 0 HB2 LYS A 68 90.094 -0.423 -6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 68 90.279 -1.568 -7.652 1.00 0.00 H new ATOM 0 HG2 LYS A 68 91.926 -1.791 -5.087 1.00 0.00 H new ATOM 0 HG3 LYS A 68 90.343 -2.529 -5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 68 91.054 -3.948 -7.060 1.00 0.00 H new ATOM 0 HD3 LYS A 68 92.518 -3.019 -7.315 1.00 0.00 H new ATOM 0 HE2 LYS A 68 93.616 -3.962 -5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 68 92.127 -4.230 -4.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 93.045 -6.316 -5.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 91.550 -6.007 -6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 92.992 -5.747 -6.996 1.00 0.00 H new ATOM 1087 N ARG A 69 91.903 2.087 -6.999 1.00 0.00 N ATOM 1088 CA ARG A 69 91.451 3.458 -7.362 1.00 0.00 C ATOM 1089 C ARG A 69 89.944 3.397 -7.565 1.00 0.00 C ATOM 1090 O ARG A 69 89.413 3.901 -8.535 1.00 0.00 O ATOM 1091 CB ARG A 69 92.121 3.932 -8.664 1.00 0.00 C ATOM 1092 CG ARG A 69 93.597 4.306 -8.420 1.00 0.00 C ATOM 1093 CD ARG A 69 94.472 3.058 -8.526 1.00 0.00 C ATOM 1094 NE ARG A 69 94.495 2.585 -9.938 1.00 0.00 N ATOM 1095 CZ ARG A 69 95.282 3.157 -10.808 1.00 0.00 C ATOM 1096 NH1 ARG A 69 95.296 2.743 -12.045 1.00 0.00 N ATOM 1097 NH2 ARG A 69 96.056 4.142 -10.441 1.00 0.00 N ATOM 0 H ARG A 69 92.462 2.023 -6.148 1.00 0.00 H new ATOM 0 HA ARG A 69 91.721 4.159 -6.572 1.00 0.00 H new ATOM 0 HB2 ARG A 69 92.061 3.145 -9.416 1.00 0.00 H new ATOM 0 HB3 ARG A 69 91.584 4.794 -9.061 1.00 0.00 H new ATOM 0 HG2 ARG A 69 93.918 5.050 -9.149 1.00 0.00 H new ATOM 0 HG3 ARG A 69 93.709 4.757 -7.434 1.00 0.00 H new ATOM 0 HD2 ARG A 69 95.484 3.281 -8.190 1.00 0.00 H new ATOM 0 HD3 ARG A 69 94.086 2.274 -7.875 1.00 0.00 H new ATOM 0 HE ARG A 69 93.894 1.812 -10.226 1.00 0.00 H new ATOM 0 HH11 ARG A 69 94.692 1.973 -12.332 1.00 0.00 H new ATOM 0 HH12 ARG A 69 95.911 3.190 -12.725 1.00 0.00 H new ATOM 0 HH21 ARG A 69 96.046 4.465 -9.474 1.00 0.00 H new ATOM 0 HH22 ARG A 69 96.671 4.588 -11.122 1.00 0.00 H new ATOM 1111 N THR A 70 89.254 2.748 -6.659 1.00 0.00 N ATOM 1112 CA THR A 70 87.776 2.601 -6.785 1.00 0.00 C ATOM 1113 C THR A 70 87.085 3.392 -5.688 1.00 0.00 C ATOM 1114 O THR A 70 87.709 4.092 -4.928 1.00 0.00 O ATOM 1115 CB THR A 70 87.428 1.112 -6.629 1.00 0.00 C ATOM 1116 OG1 THR A 70 86.120 0.875 -7.130 1.00 0.00 O ATOM 1117 CG2 THR A 70 87.498 0.686 -5.154 1.00 0.00 C ATOM 0 H THR A 70 89.658 2.311 -5.831 1.00 0.00 H new ATOM 0 HA THR A 70 87.445 2.974 -7.754 1.00 0.00 H new ATOM 0 HB THR A 70 88.153 0.526 -7.194 1.00 0.00 H new ATOM 0 HG1 THR A 70 85.516 0.672 -6.385 1.00 0.00 H new ATOM 0 HG21 THR A 70 87.248 -0.371 -5.068 1.00 0.00 H new ATOM 0 HG22 THR A 70 88.506 0.852 -4.775 1.00 0.00 H new ATOM 0 HG23 THR A 70 86.790 1.275 -4.571 1.00 0.00 H new ATOM 1125 N TRP A 71 85.800 3.228 -5.585 1.00 0.00 N ATOM 1126 CA TRP A 71 85.013 3.901 -4.515 1.00 0.00 C ATOM 1127 C TRP A 71 84.209 2.808 -3.822 1.00 0.00 C ATOM 1128 O TRP A 71 83.206 2.338 -4.305 1.00 0.00 O ATOM 1129 CB TRP A 71 84.097 4.987 -5.104 1.00 0.00 C ATOM 1130 CG TRP A 71 83.585 4.612 -6.461 1.00 0.00 C ATOM 1131 CD1 TRP A 71 83.435 3.354 -6.941 1.00 0.00 C ATOM 1132 CD2 TRP A 71 83.137 5.504 -7.524 1.00 0.00 C ATOM 1133 NE1 TRP A 71 82.913 3.421 -8.211 1.00 0.00 N ATOM 1134 CE2 TRP A 71 82.718 4.721 -8.622 1.00 0.00 C ATOM 1135 CE3 TRP A 71 83.054 6.904 -7.638 1.00 0.00 C ATOM 1136 CZ2 TRP A 71 82.232 5.303 -9.794 1.00 0.00 C ATOM 1137 CZ3 TRP A 71 82.567 7.494 -8.816 1.00 0.00 C ATOM 1138 CH2 TRP A 71 82.157 6.694 -9.892 1.00 0.00 C ATOM 0 H TRP A 71 85.247 2.642 -6.211 1.00 0.00 H new ATOM 0 HA TRP A 71 85.666 4.409 -3.805 1.00 0.00 H new ATOM 0 HB2 TRP A 71 83.255 5.155 -4.432 1.00 0.00 H new ATOM 0 HB3 TRP A 71 84.645 5.927 -5.170 1.00 0.00 H new ATOM 0 HD1 TRP A 71 83.685 2.446 -6.412 1.00 0.00 H new ATOM 0 HE1 TRP A 71 82.696 2.604 -8.782 1.00 0.00 H new ATOM 0 HE3 TRP A 71 83.367 7.529 -6.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 81.916 4.682 -10.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 82.508 8.570 -8.893 1.00 0.00 H new ATOM 0 HH2 TRP A 71 81.784 7.153 -10.796 1.00 0.00 H new ATOM 1149 N LEU A 72 84.679 2.359 -2.709 1.00 0.00 N ATOM 1150 CA LEU A 72 83.992 1.244 -2.022 1.00 0.00 C ATOM 1151 C LEU A 72 82.560 1.626 -1.674 1.00 0.00 C ATOM 1152 O LEU A 72 82.241 2.046 -0.580 1.00 0.00 O ATOM 1153 CB LEU A 72 84.784 0.883 -0.775 1.00 0.00 C ATOM 1154 CG LEU A 72 86.219 0.525 -1.187 1.00 0.00 C ATOM 1155 CD1 LEU A 72 87.118 0.515 0.046 1.00 0.00 C ATOM 1156 CD2 LEU A 72 86.260 -0.849 -1.879 1.00 0.00 C ATOM 0 H LEU A 72 85.512 2.714 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 72 83.942 0.378 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 72 84.790 1.719 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 72 84.318 0.042 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 72 86.578 1.275 -1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 72 88.136 0.261 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 72 87.110 1.501 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 72 86.751 -0.224 0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.286 -1.083 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 72 85.890 -1.612 -1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 72 85.633 -0.826 -2.771 1.00 0.00 H new ATOM 1168 N LEU A 73 81.699 1.440 -2.633 1.00 0.00 N ATOM 1169 CA LEU A 73 80.243 1.724 -2.461 1.00 0.00 C ATOM 1170 C LEU A 73 79.491 0.427 -2.748 1.00 0.00 C ATOM 1171 O LEU A 73 78.283 0.404 -2.881 1.00 0.00 O ATOM 1172 CB LEU A 73 79.791 2.819 -3.448 1.00 0.00 C ATOM 1173 CG LEU A 73 80.177 2.452 -4.912 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.019 1.745 -5.630 1.00 0.00 C ATOM 1175 CD2 LEU A 73 80.506 3.725 -5.702 1.00 0.00 C ATOM 0 H LEU A 73 81.950 1.092 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 73 80.040 2.077 -1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 73 78.712 2.954 -3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 73 80.250 3.770 -3.176 1.00 0.00 H new ATOM 0 HG LEU A 73 81.041 1.789 -4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 73 79.318 1.501 -6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.766 0.829 -5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.150 2.403 -5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.775 3.459 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.635 4.381 -5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 73 81.342 4.241 -5.229 1.00 0.00 H new ATOM 1187 N LYS A 74 80.217 -0.656 -2.860 1.00 0.00 N ATOM 1188 CA LYS A 74 79.584 -1.974 -3.158 1.00 0.00 C ATOM 1189 C LYS A 74 79.098 -2.607 -1.844 1.00 0.00 C ATOM 1190 O LYS A 74 79.104 -3.812 -1.682 1.00 0.00 O ATOM 1191 CB LYS A 74 80.632 -2.886 -3.853 1.00 0.00 C ATOM 1192 CG LYS A 74 80.150 -3.353 -5.251 1.00 0.00 C ATOM 1193 CD LYS A 74 79.888 -2.175 -6.217 1.00 0.00 C ATOM 1194 CE LYS A 74 80.963 -1.095 -6.080 1.00 0.00 C ATOM 1195 NZ LYS A 74 80.902 -0.184 -7.257 1.00 0.00 N ATOM 0 H LYS A 74 81.231 -0.682 -2.756 1.00 0.00 H new ATOM 0 HA LYS A 74 78.728 -1.848 -3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 74 81.574 -2.346 -3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 74 80.829 -3.756 -3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 74 80.899 -4.015 -5.686 1.00 0.00 H new ATOM 0 HG3 LYS A 74 79.236 -3.936 -5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 74 79.866 -2.541 -7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 74 78.908 -1.744 -6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 74 80.811 -0.530 -5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 74 81.949 -1.554 -6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 81.149 0.782 -6.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 81.575 -0.507 -7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 79.940 -0.190 -7.651 1.00 0.00 H new ATOM 1209 N THR A 75 78.670 -1.807 -0.910 1.00 0.00 N ATOM 1210 CA THR A 75 78.183 -2.367 0.382 1.00 0.00 C ATOM 1211 C THR A 75 77.175 -3.490 0.108 1.00 0.00 C ATOM 1212 O THR A 75 76.781 -4.216 1.000 1.00 0.00 O ATOM 1213 CB THR A 75 77.511 -1.255 1.192 1.00 0.00 C ATOM 1214 OG1 THR A 75 78.381 -0.135 1.259 1.00 0.00 O ATOM 1215 CG2 THR A 75 77.216 -1.751 2.606 1.00 0.00 C ATOM 0 H THR A 75 78.636 -0.790 -0.984 1.00 0.00 H new ATOM 0 HA THR A 75 79.023 -2.771 0.946 1.00 0.00 H new ATOM 0 HB THR A 75 76.577 -0.970 0.709 1.00 0.00 H new ATOM 0 HG1 THR A 75 78.029 0.515 1.902 1.00 0.00 H new ATOM 0 HG21 THR A 75 76.738 -0.956 3.178 1.00 0.00 H new ATOM 0 HG22 THR A 75 76.551 -2.613 2.558 1.00 0.00 H new ATOM 0 HG23 THR A 75 78.148 -2.038 3.093 1.00 0.00 H new ATOM 1223 N HIS A 76 76.757 -3.640 -1.121 1.00 0.00 N ATOM 1224 CA HIS A 76 75.779 -4.714 -1.455 1.00 0.00 C ATOM 1225 C HIS A 76 76.324 -6.073 -1.006 1.00 0.00 C ATOM 1226 O HIS A 76 75.597 -7.043 -0.930 1.00 0.00 O ATOM 1227 CB HIS A 76 75.546 -4.739 -2.968 1.00 0.00 C ATOM 1228 CG HIS A 76 74.721 -3.548 -3.373 1.00 0.00 C ATOM 1229 ND1 HIS A 76 75.084 -2.251 -3.047 1.00 0.00 N ATOM 1230 CD2 HIS A 76 73.548 -3.442 -4.079 1.00 0.00 C ATOM 1231 CE1 HIS A 76 74.146 -1.428 -3.551 1.00 0.00 C ATOM 1232 NE2 HIS A 76 73.187 -2.103 -4.191 1.00 0.00 N ATOM 0 H HIS A 76 77.052 -3.063 -1.909 1.00 0.00 H new ATOM 0 HA HIS A 76 74.839 -4.514 -0.940 1.00 0.00 H new ATOM 0 HB2 HIS A 76 76.501 -4.728 -3.493 1.00 0.00 H new ATOM 0 HB3 HIS A 76 75.037 -5.660 -3.252 1.00 0.00 H new ATOM 0 HD2 HIS A 76 72.990 -4.272 -4.486 1.00 0.00 H new ATOM 0 HE1 HIS A 76 74.166 -0.353 -3.450 1.00 0.00 H new ATOM 0 HE2 HIS A 76 72.367 -1.719 -4.661 1.00 0.00 H new ATOM 1240 N TRP A 77 77.600 -6.154 -0.709 1.00 0.00 N ATOM 1241 CA TRP A 77 78.194 -7.457 -0.264 1.00 0.00 C ATOM 1242 C TRP A 77 79.162 -7.205 0.905 1.00 0.00 C ATOM 1243 O TRP A 77 78.759 -6.690 1.929 1.00 0.00 O ATOM 1244 CB TRP A 77 78.920 -8.114 -1.445 1.00 0.00 C ATOM 1245 CG TRP A 77 77.941 -8.839 -2.307 1.00 0.00 C ATOM 1246 CD1 TRP A 77 77.325 -9.990 -1.965 1.00 0.00 C ATOM 1247 CD2 TRP A 77 77.462 -8.495 -3.639 1.00 0.00 C ATOM 1248 NE1 TRP A 77 76.499 -10.378 -2.998 1.00 0.00 N ATOM 1249 CE2 TRP A 77 76.546 -9.490 -4.054 1.00 0.00 C ATOM 1250 CE3 TRP A 77 77.728 -7.430 -4.517 1.00 0.00 C ATOM 1251 CZ2 TRP A 77 75.916 -9.431 -5.298 1.00 0.00 C ATOM 1252 CZ3 TRP A 77 77.096 -7.367 -5.771 1.00 0.00 C ATOM 1253 CH2 TRP A 77 76.192 -8.366 -6.160 1.00 0.00 C ATOM 0 H TRP A 77 78.256 -5.374 -0.755 1.00 0.00 H new ATOM 0 HA TRP A 77 77.408 -8.130 0.078 1.00 0.00 H new ATOM 0 HB2 TRP A 77 79.440 -7.356 -2.030 1.00 0.00 H new ATOM 0 HB3 TRP A 77 79.676 -8.807 -1.077 1.00 0.00 H new ATOM 0 HD1 TRP A 77 77.458 -10.521 -1.034 1.00 0.00 H new ATOM 0 HE1 TRP A 77 75.923 -11.219 -2.984 1.00 0.00 H new ATOM 0 HE3 TRP A 77 78.422 -6.655 -4.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 75.220 -10.203 -5.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 77.308 -6.545 -6.438 1.00 0.00 H new ATOM 0 HH2 TRP A 77 75.710 -8.312 -7.125 1.00 0.00 H new ATOM 1264 N THR A 78 80.424 -7.579 0.803 1.00 0.00 N ATOM 1265 CA THR A 78 81.336 -7.355 1.970 1.00 0.00 C ATOM 1266 C THR A 78 82.791 -7.176 1.509 1.00 0.00 C ATOM 1267 O THR A 78 83.085 -6.966 0.353 1.00 0.00 O ATOM 1268 CB THR A 78 81.218 -8.591 2.905 1.00 0.00 C ATOM 1269 OG1 THR A 78 80.226 -9.464 2.384 1.00 0.00 O ATOM 1270 CG2 THR A 78 80.820 -8.193 4.335 1.00 0.00 C ATOM 0 H THR A 78 80.848 -8.017 -0.015 1.00 0.00 H new ATOM 0 HA THR A 78 81.048 -6.444 2.495 1.00 0.00 H new ATOM 0 HB THR A 78 82.193 -9.077 2.947 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.143 -10.249 2.965 1.00 0.00 H new ATOM 0 HG21 THR A 78 80.749 -9.087 4.955 1.00 0.00 H new ATOM 0 HG22 THR A 78 81.573 -7.523 4.749 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.855 -7.686 4.316 1.00 0.00 H new ATOM 1278 N LEU A 79 83.698 -7.288 2.436 1.00 0.00 N ATOM 1279 CA LEU A 79 85.146 -7.165 2.114 1.00 0.00 C ATOM 1280 C LEU A 79 85.534 -8.420 1.347 1.00 0.00 C ATOM 1281 O LEU A 79 86.039 -8.379 0.243 1.00 0.00 O ATOM 1282 CB LEU A 79 85.952 -7.148 3.414 1.00 0.00 C ATOM 1283 CG LEU A 79 85.815 -5.809 4.150 1.00 0.00 C ATOM 1284 CD1 LEU A 79 84.346 -5.421 4.274 1.00 0.00 C ATOM 1285 CD2 LEU A 79 86.403 -5.954 5.559 1.00 0.00 C ATOM 0 H LEU A 79 83.494 -7.463 3.420 1.00 0.00 H new ATOM 0 HA LEU A 79 85.339 -6.256 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.613 -7.956 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 79 87.003 -7.336 3.193 1.00 0.00 H new ATOM 0 HG LEU A 79 86.345 -5.040 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 79 84.264 -4.469 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 79 83.909 -5.326 3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 79 83.813 -6.190 4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 79 86.311 -5.007 6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 79 85.862 -6.729 6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 79 87.455 -6.229 5.488 1.00 0.00 H new ATOM 1297 N ASP A 80 85.280 -9.541 1.959 1.00 0.00 N ATOM 1298 CA ASP A 80 85.596 -10.853 1.341 1.00 0.00 C ATOM 1299 C ASP A 80 85.200 -10.864 -0.127 1.00 0.00 C ATOM 1300 O ASP A 80 85.955 -11.279 -0.984 1.00 0.00 O ATOM 1301 CB ASP A 80 84.786 -11.919 2.062 1.00 0.00 C ATOM 1302 CG ASP A 80 85.235 -13.309 1.608 1.00 0.00 C ATOM 1303 OD1 ASP A 80 84.717 -13.782 0.610 1.00 0.00 O ATOM 1304 OD2 ASP A 80 86.092 -13.877 2.266 1.00 0.00 O ATOM 0 H ASP A 80 84.856 -9.602 2.885 1.00 0.00 H new ATOM 0 HA ASP A 80 86.667 -11.040 1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 80 84.915 -11.819 3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 80 83.724 -11.784 1.854 1.00 0.00 H new ATOM 1309 N LYS A 81 84.010 -10.438 -0.422 1.00 0.00 N ATOM 1310 CA LYS A 81 83.561 -10.456 -1.830 1.00 0.00 C ATOM 1311 C LYS A 81 84.543 -9.640 -2.675 1.00 0.00 C ATOM 1312 O LYS A 81 84.751 -9.917 -3.840 1.00 0.00 O ATOM 1313 CB LYS A 81 82.088 -9.959 -1.893 1.00 0.00 C ATOM 1314 CG LYS A 81 81.871 -8.816 -2.903 1.00 0.00 C ATOM 1315 CD LYS A 81 82.225 -7.485 -2.254 1.00 0.00 C ATOM 1316 CE LYS A 81 81.937 -6.332 -3.216 1.00 0.00 C ATOM 1317 NZ LYS A 81 82.737 -5.141 -2.813 1.00 0.00 N ATOM 0 H LYS A 81 83.332 -10.079 0.250 1.00 0.00 H new ATOM 0 HA LYS A 81 83.563 -11.462 -2.249 1.00 0.00 H new ATOM 0 HB2 LYS A 81 81.441 -10.795 -2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 81 81.783 -9.621 -0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 81 82.488 -8.976 -3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 81 80.833 -8.805 -3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 81 81.650 -7.355 -1.337 1.00 0.00 H new ATOM 0 HD3 LYS A 81 83.278 -7.479 -1.973 1.00 0.00 H new ATOM 0 HE2 LYS A 81 82.187 -6.624 -4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 81 80.874 -6.091 -3.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 82.505 -4.340 -3.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 82.515 -4.891 -1.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 83.750 -5.360 -2.894 1.00 0.00 H new ATOM 1331 N TYR A 82 85.151 -8.644 -2.102 1.00 0.00 N ATOM 1332 CA TYR A 82 86.123 -7.819 -2.876 1.00 0.00 C ATOM 1333 C TYR A 82 87.515 -8.457 -2.751 1.00 0.00 C ATOM 1334 O TYR A 82 88.237 -8.592 -3.719 1.00 0.00 O ATOM 1335 CB TYR A 82 86.120 -6.381 -2.308 1.00 0.00 C ATOM 1336 CG TYR A 82 86.242 -5.357 -3.424 1.00 0.00 C ATOM 1337 CD1 TYR A 82 85.495 -4.172 -3.366 1.00 0.00 C ATOM 1338 CD2 TYR A 82 87.095 -5.590 -4.510 1.00 0.00 C ATOM 1339 CE1 TYR A 82 85.602 -3.225 -4.392 1.00 0.00 C ATOM 1340 CE2 TYR A 82 87.201 -4.643 -5.535 1.00 0.00 C ATOM 1341 CZ TYR A 82 86.455 -3.461 -5.476 1.00 0.00 C ATOM 1342 OH TYR A 82 86.560 -2.527 -6.487 1.00 0.00 O ATOM 0 H TYR A 82 85.019 -8.362 -1.131 1.00 0.00 H new ATOM 0 HA TYR A 82 85.848 -7.777 -3.930 1.00 0.00 H new ATOM 0 HB2 TYR A 82 85.200 -6.208 -1.749 1.00 0.00 H new ATOM 0 HB3 TYR A 82 86.946 -6.261 -1.607 1.00 0.00 H new ATOM 0 HD1 TYR A 82 84.837 -3.989 -2.530 1.00 0.00 H new ATOM 0 HD2 TYR A 82 87.672 -6.502 -4.557 1.00 0.00 H new ATOM 0 HE1 TYR A 82 85.026 -2.312 -4.347 1.00 0.00 H new ATOM 0 HE2 TYR A 82 87.859 -4.825 -6.372 1.00 0.00 H new ATOM 0 HH TYR A 82 87.195 -2.845 -7.162 1.00 0.00 H new ATOM 1352 N GLY A 83 87.892 -8.854 -1.559 1.00 0.00 N ATOM 1353 CA GLY A 83 89.236 -9.489 -1.350 1.00 0.00 C ATOM 1354 C GLY A 83 90.102 -8.533 -0.538 1.00 0.00 C ATOM 1355 O GLY A 83 91.314 -8.532 -0.630 1.00 0.00 O ATOM 0 H GLY A 83 87.324 -8.766 -0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.129 -10.439 -0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 83 89.707 -9.704 -2.309 1.00 0.00 H new ATOM 1359 N ILE A 84 89.475 -7.715 0.253 1.00 0.00 N ATOM 1360 CA ILE A 84 90.222 -6.737 1.084 1.00 0.00 C ATOM 1361 C ILE A 84 90.721 -7.421 2.358 1.00 0.00 C ATOM 1362 O ILE A 84 90.232 -8.460 2.749 1.00 0.00 O ATOM 1363 CB ILE A 84 89.276 -5.589 1.438 1.00 0.00 C ATOM 1364 CG1 ILE A 84 88.906 -4.813 0.162 1.00 0.00 C ATOM 1365 CG2 ILE A 84 89.947 -4.647 2.432 1.00 0.00 C ATOM 1366 CD1 ILE A 84 87.555 -4.119 0.352 1.00 0.00 C ATOM 0 H ILE A 84 88.461 -7.682 0.361 1.00 0.00 H new ATOM 0 HA ILE A 84 91.083 -6.353 0.538 1.00 0.00 H new ATOM 0 HB ILE A 84 88.373 -5.999 1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 84 89.676 -4.075 -0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 84 88.859 -5.494 -0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 84 89.266 -3.833 2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 84 90.200 -5.196 3.339 1.00 0.00 H new ATOM 0 HG23 ILE A 84 90.856 -4.239 1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 84 87.297 -3.571 -0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 84 86.788 -4.866 0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 84 87.617 -3.425 1.191 1.00 0.00 H new ATOM 1378 N GLN A 85 91.694 -6.842 3.004 1.00 0.00 N ATOM 1379 CA GLN A 85 92.236 -7.446 4.250 1.00 0.00 C ATOM 1380 C GLN A 85 93.114 -6.410 4.963 1.00 0.00 C ATOM 1381 O GLN A 85 93.188 -5.263 4.569 1.00 0.00 O ATOM 1382 CB GLN A 85 93.078 -8.693 3.897 1.00 0.00 C ATOM 1383 CG GLN A 85 92.978 -9.755 5.016 1.00 0.00 C ATOM 1384 CD GLN A 85 91.783 -10.671 4.759 1.00 0.00 C ATOM 1385 OE1 GLN A 85 91.888 -11.877 4.858 1.00 0.00 O ATOM 1386 NE2 GLN A 85 90.645 -10.138 4.430 1.00 0.00 N ATOM 0 H GLN A 85 92.139 -5.970 2.719 1.00 0.00 H new ATOM 0 HA GLN A 85 91.417 -7.745 4.904 1.00 0.00 H new ATOM 0 HB2 GLN A 85 92.731 -9.117 2.955 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.120 -8.406 3.753 1.00 0.00 H new ATOM 0 HG2 GLN A 85 93.895 -10.342 5.055 1.00 0.00 H new ATOM 0 HG3 GLN A 85 92.871 -9.266 5.984 1.00 0.00 H new ATOM 0 HE21 GLN A 85 90.561 -9.125 4.348 1.00 0.00 H new ATOM 0 HE22 GLN A 85 89.835 -10.733 4.254 1.00 0.00 H new ATOM 1395 N ALA A 86 93.777 -6.813 6.003 1.00 0.00 N ATOM 1396 CA ALA A 86 94.650 -5.872 6.752 1.00 0.00 C ATOM 1397 C ALA A 86 95.802 -5.407 5.867 1.00 0.00 C ATOM 1398 O ALA A 86 96.397 -4.373 6.098 1.00 0.00 O ATOM 1399 CB ALA A 86 95.222 -6.602 7.960 1.00 0.00 C ATOM 0 H ALA A 86 93.753 -7.764 6.372 1.00 0.00 H new ATOM 0 HA ALA A 86 94.067 -5.006 7.064 1.00 0.00 H new ATOM 0 HB1 ALA A 86 95.866 -5.926 8.522 1.00 0.00 H new ATOM 0 HB2 ALA A 86 94.407 -6.942 8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 86 95.803 -7.461 7.624 1.00 0.00 H new ATOM 1405 N ASP A 87 96.132 -6.163 4.862 1.00 0.00 N ATOM 1406 CA ASP A 87 97.254 -5.764 3.975 1.00 0.00 C ATOM 1407 C ASP A 87 96.763 -4.703 2.996 1.00 0.00 C ATOM 1408 O ASP A 87 97.530 -4.102 2.270 1.00 0.00 O ATOM 1409 CB ASP A 87 97.746 -6.987 3.204 1.00 0.00 C ATOM 1410 CG ASP A 87 96.546 -7.754 2.644 1.00 0.00 C ATOM 1411 OD1 ASP A 87 96.352 -8.888 3.049 1.00 0.00 O ATOM 1412 OD2 ASP A 87 95.843 -7.194 1.819 1.00 0.00 O ATOM 0 H ASP A 87 95.673 -7.040 4.616 1.00 0.00 H new ATOM 0 HA ASP A 87 98.072 -5.359 4.570 1.00 0.00 H new ATOM 0 HB2 ASP A 87 98.404 -6.678 2.392 1.00 0.00 H new ATOM 0 HB3 ASP A 87 98.330 -7.633 3.860 1.00 0.00 H new ATOM 1417 N ALA A 88 95.480 -4.472 2.974 1.00 0.00 N ATOM 1418 CA ALA A 88 94.905 -3.455 2.048 1.00 0.00 C ATOM 1419 C ALA A 88 94.644 -2.160 2.825 1.00 0.00 C ATOM 1420 O ALA A 88 93.806 -2.115 3.700 1.00 0.00 O ATOM 1421 CB ALA A 88 93.592 -4.020 1.489 1.00 0.00 C ATOM 0 H ALA A 88 94.798 -4.949 3.564 1.00 0.00 H new ATOM 0 HA ALA A 88 95.591 -3.235 1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 88 93.146 -3.297 0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 88 93.794 -4.948 0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 88 92.902 -4.217 2.310 1.00 0.00 H new ATOM 1427 N LYS A 89 95.351 -1.104 2.515 1.00 0.00 N ATOM 1428 CA LYS A 89 95.131 0.185 3.242 1.00 0.00 C ATOM 1429 C LYS A 89 94.148 1.049 2.461 1.00 0.00 C ATOM 1430 O LYS A 89 94.397 1.458 1.344 1.00 0.00 O ATOM 1431 CB LYS A 89 96.454 0.943 3.416 1.00 0.00 C ATOM 1432 CG LYS A 89 97.600 -0.027 3.726 1.00 0.00 C ATOM 1433 CD LYS A 89 97.425 -0.648 5.119 1.00 0.00 C ATOM 1434 CE LYS A 89 98.276 -1.912 5.220 1.00 0.00 C ATOM 1435 NZ LYS A 89 99.705 -1.573 4.972 1.00 0.00 N ATOM 0 H LYS A 89 96.070 -1.077 1.792 1.00 0.00 H new ATOM 0 HA LYS A 89 94.725 -0.037 4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 89 96.680 1.502 2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 89 96.359 1.670 4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 89 97.630 -0.814 2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 89 98.553 0.500 3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 89 97.721 0.066 5.888 1.00 0.00 H new ATOM 0 HD3 LYS A 89 96.376 -0.887 5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 89 98.164 -2.360 6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 89 97.936 -2.651 4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 100.311 -2.338 5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 99.862 -1.457 3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 99.941 -0.686 5.461 1.00 0.00 H new ATOM 1449 N LEU A 90 93.032 1.326 3.062 1.00 0.00 N ATOM 1450 CA LEU A 90 91.988 2.166 2.407 1.00 0.00 C ATOM 1451 C LEU A 90 92.148 3.614 2.864 1.00 0.00 C ATOM 1452 O LEU A 90 92.996 3.931 3.668 1.00 0.00 O ATOM 1453 CB LEU A 90 90.594 1.653 2.781 1.00 0.00 C ATOM 1454 CG LEU A 90 90.603 0.128 2.796 1.00 0.00 C ATOM 1455 CD1 LEU A 90 89.188 -0.389 3.059 1.00 0.00 C ATOM 1456 CD2 LEU A 90 91.098 -0.399 1.445 1.00 0.00 C ATOM 0 H LEU A 90 92.790 1.001 3.998 1.00 0.00 H new ATOM 0 HA LEU A 90 92.104 2.111 1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 90 90.304 2.036 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 90 89.857 2.016 2.065 1.00 0.00 H new ATOM 0 HG LEU A 90 91.270 -0.221 3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 90 89.195 -1.479 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 90 88.839 -0.019 4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 90 88.520 -0.038 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.103 -1.489 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 90 90.435 -0.050 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 90 92.108 -0.034 1.260 1.00 0.00 H new ATOM 1468 N GLN A 91 91.349 4.493 2.334 1.00 0.00 N ATOM 1469 CA GLN A 91 91.423 5.936 2.717 1.00 0.00 C ATOM 1470 C GLN A 91 90.006 6.419 3.018 1.00 0.00 C ATOM 1471 O GLN A 91 89.041 5.756 2.703 1.00 0.00 O ATOM 1472 CB GLN A 91 91.974 6.776 1.556 1.00 0.00 C ATOM 1473 CG GLN A 91 93.276 6.165 0.995 1.00 0.00 C ATOM 1474 CD GLN A 91 93.449 6.582 -0.459 1.00 0.00 C ATOM 1475 OE1 GLN A 91 94.279 6.048 -1.167 1.00 0.00 O ATOM 1476 NE2 GLN A 91 92.698 7.528 -0.927 1.00 0.00 N ATOM 0 H GLN A 91 90.635 4.273 1.640 1.00 0.00 H new ATOM 0 HA GLN A 91 92.079 6.044 3.581 1.00 0.00 H new ATOM 0 HB2 GLN A 91 91.228 6.840 0.764 1.00 0.00 H new ATOM 0 HB3 GLN A 91 92.164 7.793 1.898 1.00 0.00 H new ATOM 0 HG2 GLN A 91 94.130 6.499 1.584 1.00 0.00 H new ATOM 0 HG3 GLN A 91 93.242 5.078 1.071 1.00 0.00 H new ATOM 0 HE21 GLN A 91 92.003 7.972 -0.326 1.00 0.00 H new ATOM 0 HE22 GLN A 91 92.801 7.829 -1.896 1.00 0.00 H new ATOM 1485 N PHE A 92 89.878 7.582 3.598 1.00 0.00 N ATOM 1486 CA PHE A 92 88.527 8.152 3.901 1.00 0.00 C ATOM 1487 C PHE A 92 88.443 9.505 3.198 1.00 0.00 C ATOM 1488 O PHE A 92 88.871 10.519 3.711 1.00 0.00 O ATOM 1489 CB PHE A 92 88.374 8.293 5.418 1.00 0.00 C ATOM 1490 CG PHE A 92 87.117 9.056 5.776 1.00 0.00 C ATOM 1491 CD1 PHE A 92 85.907 8.367 5.929 1.00 0.00 C ATOM 1492 CD2 PHE A 92 87.162 10.442 5.982 1.00 0.00 C ATOM 1493 CE1 PHE A 92 84.744 9.061 6.287 1.00 0.00 C ATOM 1494 CE2 PHE A 92 85.998 11.135 6.336 1.00 0.00 C ATOM 1495 CZ PHE A 92 84.790 10.445 6.490 1.00 0.00 C ATOM 0 H PHE A 92 90.661 8.172 3.880 1.00 0.00 H new ATOM 0 HA PHE A 92 87.722 7.508 3.548 1.00 0.00 H new ATOM 0 HB2 PHE A 92 88.345 7.304 5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 92 89.243 8.808 5.827 1.00 0.00 H new ATOM 0 HD1 PHE A 92 85.871 7.299 5.771 1.00 0.00 H new ATOM 0 HD2 PHE A 92 88.094 10.975 5.868 1.00 0.00 H new ATOM 0 HE1 PHE A 92 83.812 8.528 6.406 1.00 0.00 H new ATOM 0 HE2 PHE A 92 86.032 12.203 6.490 1.00 0.00 H new ATOM 0 HZ PHE A 92 83.893 10.981 6.765 1.00 0.00 H new ATOM 1505 N THR A 93 87.941 9.506 1.990 1.00 0.00 N ATOM 1506 CA THR A 93 87.873 10.774 1.190 1.00 0.00 C ATOM 1507 C THR A 93 86.555 10.821 0.397 1.00 0.00 C ATOM 1508 O THR A 93 85.825 9.852 0.342 1.00 0.00 O ATOM 1509 CB THR A 93 89.074 10.810 0.205 1.00 0.00 C ATOM 1510 OG1 THR A 93 88.604 10.787 -1.137 1.00 0.00 O ATOM 1511 CG2 THR A 93 89.990 9.600 0.429 1.00 0.00 C ATOM 0 H THR A 93 87.572 8.680 1.518 1.00 0.00 H new ATOM 0 HA THR A 93 87.914 11.633 1.859 1.00 0.00 H new ATOM 0 HB THR A 93 89.635 11.727 0.386 1.00 0.00 H new ATOM 0 HG1 THR A 93 89.367 10.811 -1.751 1.00 0.00 H new ATOM 0 HG21 THR A 93 90.826 9.642 -0.270 1.00 0.00 H new ATOM 0 HG22 THR A 93 90.370 9.615 1.451 1.00 0.00 H new ATOM 0 HG23 THR A 93 89.426 8.682 0.266 1.00 0.00 H new ATOM 1642 N SER B 547 56.848 29.240 10.994 1.00 0.00 N ATOM 1643 CA SER B 547 56.434 28.260 12.033 1.00 0.00 C ATOM 1644 C SER B 547 57.605 28.077 12.995 1.00 0.00 C ATOM 1645 O SER B 547 58.679 27.706 12.594 1.00 0.00 O ATOM 1646 CB SER B 547 56.108 26.928 11.354 1.00 0.00 C ATOM 1647 OG SER B 547 54.733 26.912 10.990 1.00 0.00 O ATOM 0 HA SER B 547 55.555 28.610 12.574 1.00 0.00 H new ATOM 0 HB2 SER B 547 56.732 26.795 10.470 1.00 0.00 H new ATOM 0 HB3 SER B 547 56.328 26.100 12.027 1.00 0.00 H new ATOM 0 HG SER B 547 54.520 26.061 10.553 1.00 0.00 H new ATOM 1653 N LEU B 548 57.425 28.354 14.250 1.00 0.00 N ATOM 1654 CA LEU B 548 58.562 28.210 15.195 1.00 0.00 C ATOM 1655 C LEU B 548 59.108 26.788 15.161 1.00 0.00 C ATOM 1656 O LEU B 548 58.368 25.834 15.211 1.00 0.00 O ATOM 1657 CB LEU B 548 58.094 28.566 16.624 1.00 0.00 C ATOM 1658 CG LEU B 548 58.510 30.009 16.971 1.00 0.00 C ATOM 1659 CD1 LEU B 548 57.684 31.001 16.150 1.00 0.00 C ATOM 1660 CD2 LEU B 548 58.292 30.276 18.456 1.00 0.00 C ATOM 0 H LEU B 548 56.548 28.672 14.662 1.00 0.00 H new ATOM 0 HA LEU B 548 59.359 28.891 14.896 1.00 0.00 H new ATOM 0 HB2 LEU B 548 57.011 28.463 16.697 1.00 0.00 H new ATOM 0 HB3 LEU B 548 58.529 27.871 17.342 1.00 0.00 H new ATOM 0 HG LEU B 548 59.567 30.134 16.735 1.00 0.00 H new ATOM 0 HD11 LEU B 548 57.983 32.019 16.400 1.00 0.00 H new ATOM 0 HD12 LEU B 548 57.853 30.824 15.088 1.00 0.00 H new ATOM 0 HD13 LEU B 548 56.626 30.868 16.376 1.00 0.00 H new ATOM 0 HD21 LEU B 548 58.589 31.298 18.689 1.00 0.00 H new ATOM 0 HD22 LEU B 548 57.238 30.140 18.699 1.00 0.00 H new ATOM 0 HD23 LEU B 548 58.892 29.581 19.043 1.00 0.00 H new ATOM 1672 N CYS B 549 60.410 26.646 15.120 1.00 0.00 N ATOM 1673 CA CYS B 549 61.001 25.287 15.122 1.00 0.00 C ATOM 1674 C CYS B 549 61.078 24.860 16.576 1.00 0.00 C ATOM 1675 O CYS B 549 61.906 25.317 17.337 1.00 0.00 O ATOM 1676 CB CYS B 549 62.408 25.358 14.504 1.00 0.00 C ATOM 1677 SG CYS B 549 63.454 23.979 15.071 1.00 0.00 S ATOM 0 H CYS B 549 61.081 27.414 15.085 1.00 0.00 H new ATOM 0 HA CYS B 549 60.411 24.577 14.543 1.00 0.00 H new ATOM 0 HB2 CYS B 549 62.331 25.335 13.417 1.00 0.00 H new ATOM 0 HB3 CYS B 549 62.877 26.305 14.770 1.00 0.00 H new ATOM 0 HG CYS B 549 62.706 23.056 15.599 1.00 0.00 H new ATOM 1682 N SER B 550 60.185 24.004 16.965 1.00 0.00 N ATOM 1683 CA SER B 550 60.143 23.549 18.375 1.00 0.00 C ATOM 1684 C SER B 550 61.530 23.120 18.818 1.00 0.00 C ATOM 1685 O SER B 550 62.192 22.322 18.183 1.00 0.00 O ATOM 1686 CB SER B 550 59.149 22.405 18.512 1.00 0.00 C ATOM 1687 OG SER B 550 59.439 21.664 19.690 1.00 0.00 O ATOM 0 H SER B 550 59.474 23.595 16.359 1.00 0.00 H new ATOM 0 HA SER B 550 59.818 24.368 19.016 1.00 0.00 H new ATOM 0 HB2 SER B 550 58.132 22.796 18.556 1.00 0.00 H new ATOM 0 HB3 SER B 550 59.203 21.755 17.638 1.00 0.00 H new ATOM 0 HG SER B 550 58.798 20.928 19.780 1.00 0.00 H new ATOM 1693 N GLY B 551 61.978 23.692 19.894 1.00 0.00 N ATOM 1694 CA GLY B 551 63.343 23.399 20.418 1.00 0.00 C ATOM 1695 C GLY B 551 64.172 24.645 20.174 1.00 0.00 C ATOM 1696 O GLY B 551 65.020 25.025 20.957 1.00 0.00 O ATOM 0 H GLY B 551 61.447 24.365 20.447 1.00 0.00 H new ATOM 0 HA2 GLY B 551 63.308 23.158 21.480 1.00 0.00 H new ATOM 0 HA3 GLY B 551 63.777 22.538 19.910 1.00 0.00 H new ATOM 1700 N CYS B 552 63.891 25.297 19.085 1.00 0.00 N ATOM 1701 CA CYS B 552 64.589 26.549 18.729 1.00 0.00 C ATOM 1702 C CYS B 552 63.622 27.696 18.997 1.00 0.00 C ATOM 1703 O CYS B 552 63.998 28.778 19.400 1.00 0.00 O ATOM 1704 CB CYS B 552 64.902 26.511 17.234 1.00 0.00 C ATOM 1705 SG CYS B 552 66.445 25.618 16.941 1.00 0.00 S ATOM 0 H CYS B 552 63.185 25.002 18.410 1.00 0.00 H new ATOM 0 HA CYS B 552 65.509 26.671 19.301 1.00 0.00 H new ATOM 0 HB2 CYS B 552 64.086 26.028 16.697 1.00 0.00 H new ATOM 0 HB3 CYS B 552 64.982 27.526 16.846 1.00 0.00 H new ATOM 0 HG CYS B 552 66.715 25.623 15.669 1.00 0.00 H new ATOM 1710 N GLN B 553 62.371 27.446 18.747 1.00 0.00 N ATOM 1711 CA GLN B 553 61.332 28.481 18.934 1.00 0.00 C ATOM 1712 C GLN B 553 61.691 29.720 18.137 1.00 0.00 C ATOM 1713 O GLN B 553 61.764 30.824 18.637 1.00 0.00 O ATOM 1714 CB GLN B 553 61.138 28.799 20.402 1.00 0.00 C ATOM 1715 CG GLN B 553 60.578 27.554 21.092 1.00 0.00 C ATOM 1716 CD GLN B 553 59.163 27.240 20.593 1.00 0.00 C ATOM 1717 OE1 GLN B 553 58.185 27.626 21.203 1.00 0.00 O ATOM 1718 NE2 GLN B 553 59.024 26.547 19.496 1.00 0.00 N ATOM 0 H GLN B 553 62.021 26.548 18.414 1.00 0.00 H new ATOM 0 HA GLN B 553 60.382 28.098 18.562 1.00 0.00 H new ATOM 0 HB2 GLN B 553 62.085 29.091 20.856 1.00 0.00 H new ATOM 0 HB3 GLN B 553 60.454 29.640 20.522 1.00 0.00 H new ATOM 0 HG2 GLN B 553 61.232 26.703 20.902 1.00 0.00 H new ATOM 0 HG3 GLN B 553 60.561 27.708 22.171 1.00 0.00 H new ATOM 0 HE21 GLN B 553 59.848 26.226 18.988 1.00 0.00 H new ATOM 0 HE22 GLN B 553 58.091 26.327 19.147 1.00 0.00 H new ATOM 1727 N LYS B 554 61.867 29.506 16.873 1.00 0.00 N ATOM 1728 CA LYS B 554 62.179 30.604 15.910 1.00 0.00 C ATOM 1729 C LYS B 554 61.389 30.305 14.618 1.00 0.00 C ATOM 1730 O LYS B 554 61.520 29.226 14.075 1.00 0.00 O ATOM 1731 CB LYS B 554 63.677 30.620 15.583 1.00 0.00 C ATOM 1732 CG LYS B 554 64.496 30.931 16.841 1.00 0.00 C ATOM 1733 CD LYS B 554 64.231 32.371 17.312 1.00 0.00 C ATOM 1734 CE LYS B 554 65.403 32.860 18.169 1.00 0.00 C ATOM 1735 NZ LYS B 554 65.793 31.792 19.132 1.00 0.00 N ATOM 0 H LYS B 554 61.807 28.582 16.444 1.00 0.00 H new ATOM 0 HA LYS B 554 61.909 31.570 16.336 1.00 0.00 H new ATOM 0 HB2 LYS B 554 63.977 29.654 15.176 1.00 0.00 H new ATOM 0 HB3 LYS B 554 63.880 31.367 14.815 1.00 0.00 H new ATOM 0 HG2 LYS B 554 64.237 30.229 17.634 1.00 0.00 H new ATOM 0 HG3 LYS B 554 65.558 30.799 16.633 1.00 0.00 H new ATOM 0 HD2 LYS B 554 64.099 33.027 16.451 1.00 0.00 H new ATOM 0 HD3 LYS B 554 63.306 32.411 17.887 1.00 0.00 H new ATOM 0 HE2 LYS B 554 66.250 33.118 17.533 1.00 0.00 H new ATOM 0 HE3 LYS B 554 65.121 33.765 18.707 1.00 0.00 H new ATOM 0 HZ1 LYS B 554 66.315 32.214 19.926 1.00 0.00 H new ATOM 0 HZ2 LYS B 554 64.939 31.320 19.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 554 66.397 31.095 18.652 1.00 0.00 H new ATOM 1749 N PRO B 555 60.554 31.198 14.124 1.00 0.00 N ATOM 1750 CA PRO B 555 59.758 30.899 12.898 1.00 0.00 C ATOM 1751 C PRO B 555 60.541 30.222 11.774 1.00 0.00 C ATOM 1752 O PRO B 555 61.633 30.615 11.414 1.00 0.00 O ATOM 1753 CB PRO B 555 59.285 32.289 12.477 1.00 0.00 C ATOM 1754 CG PRO B 555 59.334 33.182 13.726 1.00 0.00 C ATOM 1755 CD PRO B 555 60.317 32.540 14.727 1.00 0.00 C ATOM 0 HA PRO B 555 58.965 30.180 13.102 1.00 0.00 H new ATOM 0 HB2 PRO B 555 59.924 32.691 11.691 1.00 0.00 H new ATOM 0 HB3 PRO B 555 58.273 32.246 12.074 1.00 0.00 H new ATOM 0 HG2 PRO B 555 59.659 34.189 13.463 1.00 0.00 H new ATOM 0 HG3 PRO B 555 58.342 33.273 14.169 1.00 0.00 H new ATOM 0 HD2 PRO B 555 61.239 33.114 14.816 1.00 0.00 H new ATOM 0 HD3 PRO B 555 59.889 32.467 15.727 1.00 0.00 H new ATOM 1763 N ILE B 556 59.945 29.209 11.214 1.00 0.00 N ATOM 1764 CA ILE B 556 60.568 28.465 10.092 1.00 0.00 C ATOM 1765 C ILE B 556 60.065 29.086 8.787 1.00 0.00 C ATOM 1766 O ILE B 556 58.956 28.832 8.360 1.00 0.00 O ATOM 1767 CB ILE B 556 60.121 27.004 10.180 1.00 0.00 C ATOM 1768 CG1 ILE B 556 60.750 26.332 11.423 1.00 0.00 C ATOM 1769 CG2 ILE B 556 60.561 26.264 8.923 1.00 0.00 C ATOM 1770 CD1 ILE B 556 59.895 25.131 11.882 1.00 0.00 C ATOM 0 H ILE B 556 59.029 28.859 11.496 1.00 0.00 H new ATOM 0 HA ILE B 556 61.656 28.514 10.133 1.00 0.00 H new ATOM 0 HB ILE B 556 59.035 26.966 10.267 1.00 0.00 H new ATOM 0 HG12 ILE B 556 61.761 25.998 11.190 1.00 0.00 H new ATOM 0 HG13 ILE B 556 60.833 27.057 12.233 1.00 0.00 H new ATOM 0 HG21 ILE B 556 60.244 25.223 8.984 1.00 0.00 H new ATOM 0 HG22 ILE B 556 60.108 26.731 8.048 1.00 0.00 H new ATOM 0 HG23 ILE B 556 61.647 26.308 8.836 1.00 0.00 H new ATOM 0 HD11 ILE B 556 60.354 24.671 12.757 1.00 0.00 H new ATOM 0 HD12 ILE B 556 58.892 25.474 12.136 1.00 0.00 H new ATOM 0 HD13 ILE B 556 59.835 24.398 11.077 1.00 0.00 H new ATOM 1782 N THR B 557 60.854 29.928 8.169 1.00 0.00 N ATOM 1783 CA THR B 557 60.405 30.605 6.910 1.00 0.00 C ATOM 1784 C THR B 557 61.017 29.941 5.676 1.00 0.00 C ATOM 1785 O THR B 557 62.105 30.269 5.243 1.00 0.00 O ATOM 1786 CB THR B 557 60.821 32.071 6.980 1.00 0.00 C ATOM 1787 OG1 THR B 557 62.233 32.159 7.113 1.00 0.00 O ATOM 1788 CG2 THR B 557 60.144 32.712 8.193 1.00 0.00 C ATOM 0 H THR B 557 61.792 30.178 8.481 1.00 0.00 H new ATOM 0 HA THR B 557 59.322 30.522 6.822 1.00 0.00 H new ATOM 0 HB THR B 557 60.520 32.591 6.070 1.00 0.00 H new ATOM 0 HG1 THR B 557 62.660 31.546 6.479 1.00 0.00 H new ATOM 0 HG21 THR B 557 60.431 33.761 8.258 1.00 0.00 H new ATOM 0 HG22 THR B 557 59.062 32.638 8.087 1.00 0.00 H new ATOM 0 HG23 THR B 557 60.456 32.194 9.100 1.00 0.00 H new ATOM 1796 N GLY B 558 60.304 29.009 5.110 1.00 0.00 N ATOM 1797 CA GLY B 558 60.785 28.292 3.898 1.00 0.00 C ATOM 1798 C GLY B 558 60.104 26.929 3.877 1.00 0.00 C ATOM 1799 O GLY B 558 58.986 26.785 3.424 1.00 0.00 O ATOM 0 H GLY B 558 59.388 28.708 5.444 1.00 0.00 H new ATOM 0 HA2 GLY B 558 60.544 28.856 2.997 1.00 0.00 H new ATOM 0 HA3 GLY B 558 61.869 28.180 3.923 1.00 0.00 H new ATOM 1803 N ARG B 559 60.763 25.940 4.407 1.00 0.00 N ATOM 1804 CA ARG B 559 60.182 24.574 4.487 1.00 0.00 C ATOM 1805 C ARG B 559 60.027 24.246 5.963 1.00 0.00 C ATOM 1806 O ARG B 559 60.755 24.759 6.789 1.00 0.00 O ATOM 1807 CB ARG B 559 61.146 23.576 3.828 1.00 0.00 C ATOM 1808 CG ARG B 559 60.891 23.533 2.312 1.00 0.00 C ATOM 1809 CD ARG B 559 59.760 22.546 1.989 1.00 0.00 C ATOM 1810 NE ARG B 559 59.142 22.915 0.684 1.00 0.00 N ATOM 1811 CZ ARG B 559 58.372 22.064 0.061 1.00 0.00 C ATOM 1812 NH1 ARG B 559 57.827 22.390 -1.080 1.00 0.00 N ATOM 1813 NH2 ARG B 559 58.147 20.888 0.578 1.00 0.00 N ATOM 0 H ARG B 559 61.702 26.024 4.797 1.00 0.00 H new ATOM 0 HA ARG B 559 59.221 24.518 3.975 1.00 0.00 H new ATOM 0 HB2 ARG B 559 62.178 23.868 4.025 1.00 0.00 H new ATOM 0 HB3 ARG B 559 61.008 22.584 4.258 1.00 0.00 H new ATOM 0 HG2 ARG B 559 60.628 24.528 1.952 1.00 0.00 H new ATOM 0 HG3 ARG B 559 61.802 23.236 1.792 1.00 0.00 H new ATOM 0 HD2 ARG B 559 60.151 21.529 1.945 1.00 0.00 H new ATOM 0 HD3 ARG B 559 59.009 22.565 2.779 1.00 0.00 H new ATOM 0 HE ARG B 559 59.321 23.833 0.277 1.00 0.00 H new ATOM 0 HH11 ARG B 559 58.003 23.310 -1.485 1.00 0.00 H new ATOM 0 HH12 ARG B 559 57.226 21.725 -1.566 1.00 0.00 H new ATOM 0 HH21 ARG B 559 58.573 20.633 1.469 1.00 0.00 H new ATOM 0 HH22 ARG B 559 57.545 20.223 0.091 1.00 0.00 H new ATOM 1827 N CYS B 560 59.093 23.410 6.319 1.00 0.00 N ATOM 1828 CA CYS B 560 58.927 23.080 7.765 1.00 0.00 C ATOM 1829 C CYS B 560 58.514 21.636 7.961 1.00 0.00 C ATOM 1830 O CYS B 560 57.539 21.162 7.414 1.00 0.00 O ATOM 1831 CB CYS B 560 57.883 23.995 8.401 1.00 0.00 C ATOM 1832 SG CYS B 560 56.314 23.836 7.513 1.00 0.00 S ATOM 0 H CYS B 560 58.445 22.946 5.683 1.00 0.00 H new ATOM 0 HA CYS B 560 59.892 23.232 8.248 1.00 0.00 H new ATOM 0 HB2 CYS B 560 57.747 23.734 9.450 1.00 0.00 H new ATOM 0 HB3 CYS B 560 58.226 25.029 8.372 1.00 0.00 H new ATOM 0 HG CYS B 560 56.147 22.600 7.146 1.00 0.00 H new ATOM 1838 N ILE B 561 59.255 20.947 8.777 1.00 0.00 N ATOM 1839 CA ILE B 561 58.939 19.539 9.079 1.00 0.00 C ATOM 1840 C ILE B 561 58.039 19.518 10.290 1.00 0.00 C ATOM 1841 O ILE B 561 58.155 20.333 11.180 1.00 0.00 O ATOM 1842 CB ILE B 561 60.232 18.800 9.390 1.00 0.00 C ATOM 1843 CG1 ILE B 561 61.080 18.839 8.134 1.00 0.00 C ATOM 1844 CG2 ILE B 561 59.953 17.341 9.775 1.00 0.00 C ATOM 1845 CD1 ILE B 561 62.363 18.046 8.350 1.00 0.00 C ATOM 0 H ILE B 561 60.080 21.312 9.253 1.00 0.00 H new ATOM 0 HA ILE B 561 58.446 19.059 8.234 1.00 0.00 H new ATOM 0 HB ILE B 561 60.740 19.272 10.231 1.00 0.00 H new ATOM 0 HG12 ILE B 561 60.522 18.423 7.295 1.00 0.00 H new ATOM 0 HG13 ILE B 561 61.319 19.871 7.878 1.00 0.00 H new ATOM 0 HG21 ILE B 561 60.894 16.836 9.992 1.00 0.00 H new ATOM 0 HG22 ILE B 561 59.314 17.313 10.658 1.00 0.00 H new ATOM 0 HG23 ILE B 561 59.452 16.836 8.949 1.00 0.00 H new ATOM 0 HD11 ILE B 561 62.968 18.078 7.444 1.00 0.00 H new ATOM 0 HD12 ILE B 561 62.925 18.481 9.177 1.00 0.00 H new ATOM 0 HD13 ILE B 561 62.116 17.011 8.585 1.00 0.00 H new ATOM 1857 N THR B 562 57.152 18.580 10.320 1.00 0.00 N ATOM 1858 CA THR B 562 56.208 18.451 11.470 1.00 0.00 C ATOM 1859 C THR B 562 56.381 17.086 12.102 1.00 0.00 C ATOM 1860 O THR B 562 56.678 16.108 11.447 1.00 0.00 O ATOM 1861 CB THR B 562 54.758 18.614 11.014 1.00 0.00 C ATOM 1862 OG1 THR B 562 54.651 19.744 10.159 1.00 0.00 O ATOM 1863 CG2 THR B 562 53.867 18.808 12.245 1.00 0.00 C ATOM 0 H THR B 562 57.031 17.880 9.588 1.00 0.00 H new ATOM 0 HA THR B 562 56.432 19.237 12.192 1.00 0.00 H new ATOM 0 HB THR B 562 54.440 17.725 10.469 1.00 0.00 H new ATOM 0 HG1 THR B 562 53.728 19.827 9.841 1.00 0.00 H new ATOM 0 HG21 THR B 562 52.830 18.925 11.929 1.00 0.00 H new ATOM 0 HG22 THR B 562 53.952 17.938 12.896 1.00 0.00 H new ATOM 0 HG23 THR B 562 54.184 19.699 12.787 1.00 0.00 H new ATOM 1871 N ALA B 563 56.210 17.033 13.382 1.00 0.00 N ATOM 1872 CA ALA B 563 56.369 15.767 14.135 1.00 0.00 C ATOM 1873 C ALA B 563 55.077 15.472 14.882 1.00 0.00 C ATOM 1874 O ALA B 563 54.000 15.485 14.318 1.00 0.00 O ATOM 1875 CB ALA B 563 57.520 15.936 15.114 1.00 0.00 C ATOM 0 H ALA B 563 55.959 17.837 13.957 1.00 0.00 H new ATOM 0 HA ALA B 563 56.584 14.937 13.461 1.00 0.00 H new ATOM 0 HB1 ALA B 563 57.655 15.014 15.680 1.00 0.00 H new ATOM 0 HB2 ALA B 563 58.434 16.162 14.565 1.00 0.00 H new ATOM 0 HB3 ALA B 563 57.297 16.753 15.800 1.00 0.00 H new ATOM 1881 N MET B 564 55.177 15.212 16.148 1.00 0.00 N ATOM 1882 CA MET B 564 53.972 14.920 16.971 1.00 0.00 C ATOM 1883 C MET B 564 53.102 16.172 17.045 1.00 0.00 C ATOM 1884 O MET B 564 52.383 16.378 17.999 1.00 0.00 O ATOM 1885 CB MET B 564 54.432 14.542 18.374 1.00 0.00 C ATOM 1886 CG MET B 564 55.725 13.727 18.285 1.00 0.00 C ATOM 1887 SD MET B 564 56.000 12.855 19.850 1.00 0.00 S ATOM 1888 CE MET B 564 55.340 11.245 19.348 1.00 0.00 C ATOM 0 H MET B 564 56.058 15.188 16.661 1.00 0.00 H new ATOM 0 HA MET B 564 53.398 14.105 16.530 1.00 0.00 H new ATOM 0 HB2 MET B 564 54.596 15.441 18.969 1.00 0.00 H new ATOM 0 HB3 MET B 564 53.658 13.963 18.878 1.00 0.00 H new ATOM 0 HG2 MET B 564 55.661 13.012 17.465 1.00 0.00 H new ATOM 0 HG3 MET B 564 56.567 14.384 18.070 1.00 0.00 H new ATOM 0 HE1 MET B 564 55.415 10.545 20.181 1.00 0.00 H new ATOM 0 HE2 MET B 564 54.295 11.354 19.059 1.00 0.00 H new ATOM 0 HE3 MET B 564 55.913 10.865 18.502 1.00 0.00 H new ATOM 1898 N ALA B 565 53.229 16.997 16.045 1.00 0.00 N ATOM 1899 CA ALA B 565 52.507 18.302 15.928 1.00 0.00 C ATOM 1900 C ALA B 565 53.545 19.392 16.123 1.00 0.00 C ATOM 1901 O ALA B 565 53.292 20.563 15.914 1.00 0.00 O ATOM 1902 CB ALA B 565 51.393 18.473 16.966 1.00 0.00 C ATOM 0 H ALA B 565 53.843 16.808 15.253 1.00 0.00 H new ATOM 0 HA ALA B 565 52.022 18.349 14.953 1.00 0.00 H new ATOM 0 HB1 ALA B 565 50.910 19.440 16.826 1.00 0.00 H new ATOM 0 HB2 ALA B 565 50.657 17.679 16.844 1.00 0.00 H new ATOM 0 HB3 ALA B 565 51.819 18.422 17.968 1.00 0.00 H new ATOM 1908 N LYS B 566 54.728 19.002 16.516 1.00 0.00 N ATOM 1909 CA LYS B 566 55.811 19.990 16.724 1.00 0.00 C ATOM 1910 C LYS B 566 56.456 20.297 15.376 1.00 0.00 C ATOM 1911 O LYS B 566 56.519 19.452 14.509 1.00 0.00 O ATOM 1912 CB LYS B 566 56.855 19.390 17.662 1.00 0.00 C ATOM 1913 CG LYS B 566 56.183 18.903 18.955 1.00 0.00 C ATOM 1914 CD LYS B 566 55.657 20.106 19.790 1.00 0.00 C ATOM 1915 CE LYS B 566 54.134 20.248 19.635 1.00 0.00 C ATOM 1916 NZ LYS B 566 53.451 19.332 20.593 1.00 0.00 N ATOM 0 H LYS B 566 54.987 18.033 16.702 1.00 0.00 H new ATOM 0 HA LYS B 566 55.411 20.905 17.160 1.00 0.00 H new ATOM 0 HB2 LYS B 566 57.362 18.559 17.171 1.00 0.00 H new ATOM 0 HB3 LYS B 566 57.616 20.134 17.896 1.00 0.00 H new ATOM 0 HG2 LYS B 566 55.357 18.234 18.712 1.00 0.00 H new ATOM 0 HG3 LYS B 566 56.895 18.328 19.546 1.00 0.00 H new ATOM 0 HD2 LYS B 566 55.909 19.964 20.841 1.00 0.00 H new ATOM 0 HD3 LYS B 566 56.148 21.023 19.465 1.00 0.00 H new ATOM 0 HE2 LYS B 566 53.833 21.279 19.823 1.00 0.00 H new ATOM 0 HE3 LYS B 566 53.838 20.010 18.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 566 52.421 19.427 20.489 1.00 0.00 H new ATOM 0 HZ2 LYS B 566 53.730 18.350 20.394 1.00 0.00 H new ATOM 0 HZ3 LYS B 566 53.725 19.579 21.565 1.00 0.00 H new ATOM 1930 N LYS B 567 56.940 21.494 15.191 1.00 0.00 N ATOM 1931 CA LYS B 567 57.585 21.855 13.895 1.00 0.00 C ATOM 1932 C LYS B 567 59.089 21.643 14.031 1.00 0.00 C ATOM 1933 O LYS B 567 59.576 21.313 15.094 1.00 0.00 O ATOM 1934 CB LYS B 567 57.268 23.315 13.557 1.00 0.00 C ATOM 1935 CG LYS B 567 55.847 23.671 14.035 1.00 0.00 C ATOM 1936 CD LYS B 567 54.794 22.743 13.394 1.00 0.00 C ATOM 1937 CE LYS B 567 54.746 22.978 11.882 1.00 0.00 C ATOM 1938 NZ LYS B 567 53.480 22.416 11.332 1.00 0.00 N ATOM 0 H LYS B 567 56.917 22.242 15.884 1.00 0.00 H new ATOM 0 HA LYS B 567 57.205 21.229 13.088 1.00 0.00 H new ATOM 0 HB2 LYS B 567 57.996 23.973 14.032 1.00 0.00 H new ATOM 0 HB3 LYS B 567 57.349 23.474 12.482 1.00 0.00 H new ATOM 0 HG2 LYS B 567 55.795 23.590 15.121 1.00 0.00 H new ATOM 0 HG3 LYS B 567 55.624 24.708 13.782 1.00 0.00 H new ATOM 0 HD2 LYS B 567 55.040 21.701 13.602 1.00 0.00 H new ATOM 0 HD3 LYS B 567 53.814 22.933 13.832 1.00 0.00 H new ATOM 0 HE2 LYS B 567 54.807 24.045 11.667 1.00 0.00 H new ATOM 0 HE3 LYS B 567 55.604 22.507 11.403 1.00 0.00 H new ATOM 0 HZ1 LYS B 567 53.108 23.052 10.598 1.00 0.00 H new ATOM 0 HZ2 LYS B 567 53.667 21.481 10.917 1.00 0.00 H new ATOM 0 HZ3 LYS B 567 52.781 22.322 12.096 1.00 0.00 H new ATOM 1952 N PHE B 568 59.840 21.802 12.975 1.00 0.00 N ATOM 1953 CA PHE B 568 61.305 21.569 13.105 1.00 0.00 C ATOM 1954 C PHE B 568 62.041 22.245 11.959 1.00 0.00 C ATOM 1955 O PHE B 568 61.676 22.109 10.808 1.00 0.00 O ATOM 1956 CB PHE B 568 61.573 20.039 13.061 1.00 0.00 C ATOM 1957 CG PHE B 568 61.949 19.521 14.438 1.00 0.00 C ATOM 1958 CD1 PHE B 568 61.182 18.519 15.050 1.00 0.00 C ATOM 1959 CD2 PHE B 568 63.066 20.047 15.100 1.00 0.00 C ATOM 1960 CE1 PHE B 568 61.532 18.046 16.320 1.00 0.00 C ATOM 1961 CE2 PHE B 568 63.416 19.572 16.370 1.00 0.00 C ATOM 1962 CZ PHE B 568 62.649 18.572 16.980 1.00 0.00 C ATOM 0 H PHE B 568 59.512 22.077 12.049 1.00 0.00 H new ATOM 0 HA PHE B 568 61.660 21.985 14.048 1.00 0.00 H new ATOM 0 HB2 PHE B 568 60.685 19.519 12.701 1.00 0.00 H new ATOM 0 HB3 PHE B 568 62.375 19.825 12.355 1.00 0.00 H new ATOM 0 HD1 PHE B 568 60.321 18.112 14.541 1.00 0.00 H new ATOM 0 HD2 PHE B 568 63.657 20.819 14.631 1.00 0.00 H new ATOM 0 HE1 PHE B 568 60.940 17.275 16.791 1.00 0.00 H new ATOM 0 HE2 PHE B 568 64.278 19.977 16.879 1.00 0.00 H new ATOM 0 HZ PHE B 568 62.919 18.206 17.960 1.00 0.00 H new ATOM 1972 N HIS B 569 63.111 22.925 12.256 1.00 0.00 N ATOM 1973 CA HIS B 569 63.898 23.547 11.166 1.00 0.00 C ATOM 1974 C HIS B 569 64.255 22.395 10.211 1.00 0.00 C ATOM 1975 O HIS B 569 64.951 21.484 10.615 1.00 0.00 O ATOM 1976 CB HIS B 569 65.195 24.131 11.738 1.00 0.00 C ATOM 1977 CG HIS B 569 64.994 25.539 12.222 1.00 0.00 C ATOM 1978 ND1 HIS B 569 65.198 25.882 13.546 1.00 0.00 N ATOM 1979 CD2 HIS B 569 64.668 26.703 11.574 1.00 0.00 C ATOM 1980 CE1 HIS B 569 65.005 27.207 13.654 1.00 0.00 C ATOM 1981 NE2 HIS B 569 64.676 27.758 12.481 1.00 0.00 N ATOM 0 H HIS B 569 63.470 23.075 13.199 1.00 0.00 H new ATOM 0 HA HIS B 569 63.344 24.345 10.672 1.00 0.00 H new ATOM 0 HB2 HIS B 569 65.545 23.508 12.561 1.00 0.00 H new ATOM 0 HB3 HIS B 569 65.972 24.115 10.973 1.00 0.00 H new ATOM 0 HD1 HIS B 569 65.449 25.245 14.302 1.00 0.00 H new ATOM 0 HD2 HIS B 569 64.440 26.788 10.522 1.00 0.00 H new ATOM 0 HE1 HIS B 569 65.104 27.760 14.576 1.00 0.00 H new ATOM 1988 N PRO B 570 63.784 22.379 8.990 1.00 0.00 N ATOM 1989 CA PRO B 570 64.109 21.247 8.091 1.00 0.00 C ATOM 1990 C PRO B 570 65.600 20.893 8.146 1.00 0.00 C ATOM 1991 O PRO B 570 66.024 19.867 7.661 1.00 0.00 O ATOM 1992 CB PRO B 570 63.682 21.799 6.726 1.00 0.00 C ATOM 1993 CG PRO B 570 62.659 22.912 6.996 1.00 0.00 C ATOM 1994 CD PRO B 570 62.923 23.445 8.410 1.00 0.00 C ATOM 0 HA PRO B 570 63.612 20.312 8.350 1.00 0.00 H new ATOM 0 HB2 PRO B 570 64.542 22.188 6.181 1.00 0.00 H new ATOM 0 HB3 PRO B 570 63.244 21.013 6.111 1.00 0.00 H new ATOM 0 HG2 PRO B 570 62.757 23.710 6.260 1.00 0.00 H new ATOM 0 HG3 PRO B 570 61.643 22.527 6.915 1.00 0.00 H new ATOM 0 HD2 PRO B 570 63.427 24.412 8.394 1.00 0.00 H new ATOM 0 HD3 PRO B 570 62.000 23.576 8.975 1.00 0.00 H new ATOM 2002 N GLU B 571 66.398 21.739 8.753 1.00 0.00 N ATOM 2003 CA GLU B 571 67.860 21.462 8.853 1.00 0.00 C ATOM 2004 C GLU B 571 68.189 20.860 10.224 1.00 0.00 C ATOM 2005 O GLU B 571 68.812 19.829 10.341 1.00 0.00 O ATOM 2006 CB GLU B 571 68.619 22.786 8.701 1.00 0.00 C ATOM 2007 CG GLU B 571 67.889 23.665 7.693 1.00 0.00 C ATOM 2008 CD GLU B 571 68.756 24.875 7.340 1.00 0.00 C ATOM 2009 OE1 GLU B 571 69.478 25.335 8.209 1.00 0.00 O ATOM 2010 OE2 GLU B 571 68.683 25.320 6.207 1.00 0.00 O ATOM 0 H GLU B 571 66.095 22.612 9.184 1.00 0.00 H new ATOM 0 HA GLU B 571 68.150 20.759 8.073 1.00 0.00 H new ATOM 0 HB2 GLU B 571 68.687 23.294 9.663 1.00 0.00 H new ATOM 0 HB3 GLU B 571 69.640 22.598 8.367 1.00 0.00 H new ATOM 0 HG2 GLU B 571 67.663 23.093 6.793 1.00 0.00 H new ATOM 0 HG3 GLU B 571 66.937 23.996 8.107 1.00 0.00 H new ATOM 2017 N HIS B 572 67.783 21.506 11.267 1.00 0.00 N ATOM 2018 CA HIS B 572 68.097 20.971 12.624 1.00 0.00 C ATOM 2019 C HIS B 572 67.551 19.552 12.757 1.00 0.00 C ATOM 2020 O HIS B 572 67.788 18.879 13.740 1.00 0.00 O ATOM 2021 CB HIS B 572 67.508 21.893 13.699 1.00 0.00 C ATOM 2022 CG HIS B 572 67.953 23.302 13.389 1.00 0.00 C ATOM 2023 ND1 HIS B 572 67.305 24.458 13.847 1.00 0.00 N ATOM 2024 CD2 HIS B 572 69.012 23.752 12.636 1.00 0.00 C ATOM 2025 CE1 HIS B 572 67.987 25.513 13.360 1.00 0.00 C ATOM 2026 NE2 HIS B 572 69.029 25.139 12.620 1.00 0.00 N ATOM 0 H HIS B 572 67.251 22.376 11.249 1.00 0.00 H new ATOM 0 HA HIS B 572 69.178 20.937 12.762 1.00 0.00 H new ATOM 0 HB2 HIS B 572 66.420 21.828 13.704 1.00 0.00 H new ATOM 0 HB3 HIS B 572 67.850 21.593 14.689 1.00 0.00 H new ATOM 0 HD2 HIS B 572 69.726 23.118 12.131 1.00 0.00 H new ATOM 0 HE1 HIS B 572 67.720 26.542 13.548 1.00 0.00 H new ATOM 0 HE2 HIS B 572 69.698 25.744 12.143 1.00 0.00 H new ATOM 2033 N PHE B 573 66.847 19.081 11.757 1.00 0.00 N ATOM 2034 CA PHE B 573 66.309 17.687 11.792 1.00 0.00 C ATOM 2035 C PHE B 573 66.741 16.982 10.505 1.00 0.00 C ATOM 2036 O PHE B 573 65.932 16.464 9.761 1.00 0.00 O ATOM 2037 CB PHE B 573 64.780 17.729 11.880 1.00 0.00 C ATOM 2038 CG PHE B 573 64.260 16.424 12.446 1.00 0.00 C ATOM 2039 CD1 PHE B 573 64.407 16.148 13.811 1.00 0.00 C ATOM 2040 CD2 PHE B 573 63.636 15.492 11.607 1.00 0.00 C ATOM 2041 CE1 PHE B 573 63.929 14.941 14.337 1.00 0.00 C ATOM 2042 CE2 PHE B 573 63.158 14.286 12.133 1.00 0.00 C ATOM 2043 CZ PHE B 573 63.305 14.011 13.498 1.00 0.00 C ATOM 0 H PHE B 573 66.621 19.607 10.913 1.00 0.00 H new ATOM 0 HA PHE B 573 66.691 17.150 12.660 1.00 0.00 H new ATOM 0 HB2 PHE B 573 64.466 18.560 12.512 1.00 0.00 H new ATOM 0 HB3 PHE B 573 64.355 17.902 10.891 1.00 0.00 H new ATOM 0 HD1 PHE B 573 64.889 16.866 14.458 1.00 0.00 H new ATOM 0 HD2 PHE B 573 63.524 15.704 10.554 1.00 0.00 H new ATOM 0 HE1 PHE B 573 64.042 14.728 15.390 1.00 0.00 H new ATOM 0 HE2 PHE B 573 62.676 13.568 11.486 1.00 0.00 H new ATOM 0 HZ PHE B 573 62.937 13.080 13.904 1.00 0.00 H new ATOM 2053 N VAL B 574 68.019 16.979 10.236 1.00 0.00 N ATOM 2054 CA VAL B 574 68.536 16.334 8.995 1.00 0.00 C ATOM 2055 C VAL B 574 68.948 14.884 9.285 1.00 0.00 C ATOM 2056 O VAL B 574 68.891 14.418 10.404 1.00 0.00 O ATOM 2057 CB VAL B 574 69.783 17.074 8.494 1.00 0.00 C ATOM 2058 CG1 VAL B 574 69.409 18.462 7.916 1.00 0.00 C ATOM 2059 CG2 VAL B 574 70.776 17.218 9.658 1.00 0.00 C ATOM 0 H VAL B 574 68.734 17.400 10.829 1.00 0.00 H new ATOM 0 HA VAL B 574 67.744 16.366 8.246 1.00 0.00 H new ATOM 0 HB VAL B 574 70.244 16.500 7.690 1.00 0.00 H new ATOM 0 HG11 VAL B 574 70.311 18.966 7.568 1.00 0.00 H new ATOM 0 HG12 VAL B 574 68.719 18.335 7.082 1.00 0.00 H new ATOM 0 HG13 VAL B 574 68.934 19.063 8.691 1.00 0.00 H new ATOM 0 HG21 VAL B 574 71.667 17.743 9.313 1.00 0.00 H new ATOM 0 HG22 VAL B 574 70.311 17.784 10.465 1.00 0.00 H new ATOM 0 HG23 VAL B 574 71.055 16.229 10.022 1.00 0.00 H new ATOM 2069 N CYS B 575 69.375 14.185 8.268 1.00 0.00 N ATOM 2070 CA CYS B 575 69.817 12.764 8.435 1.00 0.00 C ATOM 2071 C CYS B 575 71.255 12.763 8.917 1.00 0.00 C ATOM 2072 O CYS B 575 72.050 13.558 8.458 1.00 0.00 O ATOM 2073 CB CYS B 575 69.721 12.052 7.070 1.00 0.00 C ATOM 2074 SG CYS B 575 71.232 11.123 6.682 1.00 0.00 S ATOM 0 H CYS B 575 69.438 14.541 7.314 1.00 0.00 H new ATOM 0 HA CYS B 575 69.188 12.245 9.158 1.00 0.00 H new ATOM 0 HB2 CYS B 575 68.868 11.373 7.074 1.00 0.00 H new ATOM 0 HB3 CYS B 575 69.537 12.789 6.288 1.00 0.00 H new ATOM 0 HG CYS B 575 71.711 11.530 5.544 1.00 0.00 H new ATOM 2079 N ALA B 576 71.633 11.875 9.810 1.00 0.00 N ATOM 2080 CA ALA B 576 73.066 11.904 10.219 1.00 0.00 C ATOM 2081 C ALA B 576 73.869 10.962 9.290 1.00 0.00 C ATOM 2082 O ALA B 576 74.333 9.907 9.673 1.00 0.00 O ATOM 2083 CB ALA B 576 73.156 11.413 11.680 1.00 0.00 C ATOM 0 H ALA B 576 71.044 11.169 10.251 1.00 0.00 H new ATOM 0 HA ALA B 576 73.475 12.911 10.143 1.00 0.00 H new ATOM 0 HB1 ALA B 576 74.197 11.425 12.004 1.00 0.00 H new ATOM 0 HB2 ALA B 576 72.569 12.070 12.321 1.00 0.00 H new ATOM 0 HB3 ALA B 576 72.766 10.397 11.747 1.00 0.00 H new ATOM 2089 N PHE B 577 74.108 11.443 8.098 1.00 0.00 N ATOM 2090 CA PHE B 577 74.964 10.769 7.065 1.00 0.00 C ATOM 2091 C PHE B 577 75.464 11.936 6.242 1.00 0.00 C ATOM 2092 O PHE B 577 76.630 12.269 6.171 1.00 0.00 O ATOM 2093 CB PHE B 577 74.151 9.809 6.184 1.00 0.00 C ATOM 2094 CG PHE B 577 75.063 8.997 5.274 1.00 0.00 C ATOM 2095 CD1 PHE B 577 75.853 7.956 5.792 1.00 0.00 C ATOM 2096 CD2 PHE B 577 75.102 9.277 3.899 1.00 0.00 C ATOM 2097 CE1 PHE B 577 76.673 7.208 4.938 1.00 0.00 C ATOM 2098 CE2 PHE B 577 75.924 8.527 3.051 1.00 0.00 C ATOM 2099 CZ PHE B 577 76.708 7.493 3.569 1.00 0.00 C ATOM 0 H PHE B 577 73.721 12.331 7.778 1.00 0.00 H new ATOM 0 HA PHE B 577 75.753 10.159 7.505 1.00 0.00 H new ATOM 0 HB2 PHE B 577 73.568 9.137 6.814 1.00 0.00 H new ATOM 0 HB3 PHE B 577 73.441 10.376 5.581 1.00 0.00 H new ATOM 0 HD1 PHE B 577 75.828 7.733 6.848 1.00 0.00 H new ATOM 0 HD2 PHE B 577 74.496 10.074 3.494 1.00 0.00 H new ATOM 0 HE1 PHE B 577 77.280 6.409 5.337 1.00 0.00 H new ATOM 0 HE2 PHE B 577 75.953 8.748 1.994 1.00 0.00 H new ATOM 0 HZ PHE B 577 77.341 6.914 2.913 1.00 0.00 H new ATOM 2109 N CYS B 578 74.475 12.586 5.672 1.00 0.00 N ATOM 2110 CA CYS B 578 74.645 13.813 4.862 1.00 0.00 C ATOM 2111 C CYS B 578 73.818 14.878 5.587 1.00 0.00 C ATOM 2112 O CYS B 578 72.672 15.116 5.275 1.00 0.00 O ATOM 2113 CB CYS B 578 74.074 13.593 3.457 1.00 0.00 C ATOM 2114 SG CYS B 578 72.346 13.056 3.583 1.00 0.00 S ATOM 0 H CYS B 578 73.503 12.286 5.748 1.00 0.00 H new ATOM 0 HA CYS B 578 75.692 14.095 4.756 1.00 0.00 H new ATOM 0 HB2 CYS B 578 74.138 14.515 2.878 1.00 0.00 H new ATOM 0 HB3 CYS B 578 74.661 12.843 2.928 1.00 0.00 H new ATOM 0 HG CYS B 578 71.713 13.825 4.418 1.00 0.00 H new ATOM 2119 N LEU B 579 74.376 15.453 6.604 1.00 0.00 N ATOM 2120 CA LEU B 579 73.641 16.448 7.433 1.00 0.00 C ATOM 2121 C LEU B 579 73.021 17.590 6.614 1.00 0.00 C ATOM 2122 O LEU B 579 72.673 18.604 7.186 1.00 0.00 O ATOM 2123 CB LEU B 579 74.626 17.047 8.446 1.00 0.00 C ATOM 2124 CG LEU B 579 75.076 15.966 9.474 1.00 0.00 C ATOM 2125 CD1 LEU B 579 76.597 16.025 9.682 1.00 0.00 C ATOM 2126 CD2 LEU B 579 74.382 16.197 10.825 1.00 0.00 C ATOM 0 H LEU B 579 75.333 15.274 6.907 1.00 0.00 H new ATOM 0 HA LEU B 579 72.817 15.924 7.917 1.00 0.00 H new ATOM 0 HB2 LEU B 579 75.496 17.446 7.924 1.00 0.00 H new ATOM 0 HB3 LEU B 579 74.158 17.881 8.968 1.00 0.00 H new ATOM 0 HG LEU B 579 74.799 14.988 9.081 1.00 0.00 H new ATOM 0 HD11 LEU B 579 76.895 15.264 10.403 1.00 0.00 H new ATOM 0 HD12 LEU B 579 77.101 15.844 8.733 1.00 0.00 H new ATOM 0 HD13 LEU B 579 76.875 17.010 10.058 1.00 0.00 H new ATOM 0 HD21 LEU B 579 74.705 15.435 11.535 1.00 0.00 H new ATOM 0 HD22 LEU B 579 74.647 17.183 11.206 1.00 0.00 H new ATOM 0 HD23 LEU B 579 73.302 16.137 10.694 1.00 0.00 H new ATOM 2138 N LYS B 580 72.885 17.500 5.302 1.00 0.00 N ATOM 2139 CA LYS B 580 72.297 18.686 4.589 1.00 0.00 C ATOM 2140 C LYS B 580 70.760 18.645 4.560 1.00 0.00 C ATOM 2141 O LYS B 580 70.128 19.671 4.713 1.00 0.00 O ATOM 2142 CB LYS B 580 72.865 18.744 3.138 1.00 0.00 C ATOM 2143 CG LYS B 580 71.977 18.012 2.098 1.00 0.00 C ATOM 2144 CD LYS B 580 72.046 16.495 2.316 1.00 0.00 C ATOM 2145 CE LYS B 580 70.785 15.831 1.761 1.00 0.00 C ATOM 2146 NZ LYS B 580 70.377 16.514 0.500 1.00 0.00 N ATOM 0 H LYS B 580 73.141 16.701 4.722 1.00 0.00 H new ATOM 0 HA LYS B 580 72.579 19.585 5.138 1.00 0.00 H new ATOM 0 HB2 LYS B 580 72.975 19.787 2.841 1.00 0.00 H new ATOM 0 HB3 LYS B 580 73.862 18.303 3.128 1.00 0.00 H new ATOM 0 HG2 LYS B 580 70.945 18.353 2.186 1.00 0.00 H new ATOM 0 HG3 LYS B 580 72.309 18.257 1.089 1.00 0.00 H new ATOM 0 HD2 LYS B 580 72.929 16.088 1.823 1.00 0.00 H new ATOM 0 HD3 LYS B 580 72.145 16.276 3.379 1.00 0.00 H new ATOM 0 HE2 LYS B 580 70.971 14.774 1.571 1.00 0.00 H new ATOM 0 HE3 LYS B 580 69.980 15.886 2.494 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 69.769 15.880 -0.057 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 69.853 17.383 0.729 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 71.224 16.756 -0.053 1.00 0.00 H new ATOM 2160 N GLN B 581 70.122 17.505 4.393 1.00 0.00 N ATOM 2161 CA GLN B 581 68.622 17.541 4.403 1.00 0.00 C ATOM 2162 C GLN B 581 67.960 16.185 4.661 1.00 0.00 C ATOM 2163 O GLN B 581 68.366 15.162 4.147 1.00 0.00 O ATOM 2164 CB GLN B 581 68.105 18.132 3.095 1.00 0.00 C ATOM 2165 CG GLN B 581 66.618 18.482 3.232 1.00 0.00 C ATOM 2166 CD GLN B 581 66.454 19.741 4.077 1.00 0.00 C ATOM 2167 OE1 GLN B 581 66.227 20.814 3.553 1.00 0.00 O ATOM 2168 NE2 GLN B 581 66.559 19.659 5.370 1.00 0.00 N ATOM 0 H GLN B 581 70.552 16.590 4.256 1.00 0.00 H new ATOM 0 HA GLN B 581 68.345 18.174 5.246 1.00 0.00 H new ATOM 0 HB2 GLN B 581 68.676 19.025 2.839 1.00 0.00 H new ATOM 0 HB3 GLN B 581 68.246 17.419 2.283 1.00 0.00 H new ATOM 0 HG2 GLN B 581 66.180 18.636 2.246 1.00 0.00 H new ATOM 0 HG3 GLN B 581 66.082 17.652 3.693 1.00 0.00 H new ATOM 0 HE21 GLN B 581 66.749 18.759 5.810 1.00 0.00 H new ATOM 0 HE22 GLN B 581 66.451 20.495 5.944 1.00 0.00 H new ATOM 2177 N LEU B 582 66.880 16.207 5.400 1.00 0.00 N ATOM 2178 CA LEU B 582 66.078 14.969 5.658 1.00 0.00 C ATOM 2179 C LEU B 582 64.596 15.302 5.456 1.00 0.00 C ATOM 2180 O LEU B 582 64.228 16.448 5.293 1.00 0.00 O ATOM 2181 CB LEU B 582 66.320 14.511 7.088 1.00 0.00 C ATOM 2182 CG LEU B 582 65.761 13.101 7.359 1.00 0.00 C ATOM 2183 CD1 LEU B 582 66.375 12.069 6.385 1.00 0.00 C ATOM 2184 CD2 LEU B 582 66.093 12.722 8.815 1.00 0.00 C ATOM 0 H LEU B 582 66.512 17.048 5.845 1.00 0.00 H new ATOM 0 HA LEU B 582 66.371 14.171 4.975 1.00 0.00 H new ATOM 0 HB2 LEU B 582 67.391 14.519 7.292 1.00 0.00 H new ATOM 0 HB3 LEU B 582 65.859 15.220 7.776 1.00 0.00 H new ATOM 0 HG LEU B 582 64.682 13.099 7.205 1.00 0.00 H new ATOM 0 HD11 LEU B 582 65.965 11.081 6.596 1.00 0.00 H new ATOM 0 HD12 LEU B 582 66.136 12.350 5.359 1.00 0.00 H new ATOM 0 HD13 LEU B 582 67.457 12.048 6.512 1.00 0.00 H new ATOM 0 HD21 LEU B 582 65.706 11.726 9.029 1.00 0.00 H new ATOM 0 HD22 LEU B 582 67.174 12.729 8.955 1.00 0.00 H new ATOM 0 HD23 LEU B 582 65.634 13.443 9.492 1.00 0.00 H new ATOM 2196 N ASN B 583 63.744 14.312 5.459 1.00 0.00 N ATOM 2197 CA ASN B 583 62.283 14.569 5.259 1.00 0.00 C ATOM 2198 C ASN B 583 61.472 13.557 6.069 1.00 0.00 C ATOM 2199 O ASN B 583 61.671 12.364 5.973 1.00 0.00 O ATOM 2200 CB ASN B 583 61.941 14.420 3.770 1.00 0.00 C ATOM 2201 CG ASN B 583 62.306 15.694 3.016 1.00 0.00 C ATOM 2202 OD1 ASN B 583 62.599 16.711 3.612 1.00 0.00 O ATOM 2203 ND2 ASN B 583 62.293 15.678 1.717 1.00 0.00 N ATOM 0 H ASN B 583 63.995 13.332 5.592 1.00 0.00 H new ATOM 0 HA ASN B 583 62.041 15.578 5.592 1.00 0.00 H new ATOM 0 HB2 ASN B 583 62.481 13.572 3.348 1.00 0.00 H new ATOM 0 HB3 ASN B 583 60.878 14.211 3.653 1.00 0.00 H new ATOM 0 HD21 ASN B 583 62.529 16.521 1.194 1.00 0.00 H new ATOM 0 HD22 ASN B 583 62.046 14.822 1.220 1.00 0.00 H new ATOM 2210 N LYS B 584 60.549 14.034 6.853 1.00 0.00 N ATOM 2211 CA LYS B 584 59.704 13.130 7.673 1.00 0.00 C ATOM 2212 C LYS B 584 59.112 12.028 6.795 1.00 0.00 C ATOM 2213 O LYS B 584 58.669 11.004 7.275 1.00 0.00 O ATOM 2214 CB LYS B 584 58.563 13.956 8.250 1.00 0.00 C ATOM 2215 CG LYS B 584 57.948 14.813 7.118 1.00 0.00 C ATOM 2216 CD LYS B 584 56.495 15.177 7.445 1.00 0.00 C ATOM 2217 CE LYS B 584 56.452 16.313 8.473 1.00 0.00 C ATOM 2218 NZ LYS B 584 56.593 17.618 7.769 1.00 0.00 N ATOM 0 H LYS B 584 60.342 15.027 6.961 1.00 0.00 H new ATOM 0 HA LYS B 584 60.303 12.676 8.462 1.00 0.00 H new ATOM 0 HB2 LYS B 584 57.806 13.303 8.683 1.00 0.00 H new ATOM 0 HB3 LYS B 584 58.929 14.597 9.053 1.00 0.00 H new ATOM 0 HG2 LYS B 584 58.535 15.722 6.983 1.00 0.00 H new ATOM 0 HG3 LYS B 584 57.988 14.265 6.177 1.00 0.00 H new ATOM 0 HD2 LYS B 584 55.975 15.479 6.536 1.00 0.00 H new ATOM 0 HD3 LYS B 584 55.973 14.304 7.835 1.00 0.00 H new ATOM 0 HE2 LYS B 584 55.513 16.284 9.025 1.00 0.00 H new ATOM 0 HE3 LYS B 584 57.254 16.191 9.201 1.00 0.00 H new ATOM 0 HZ1 LYS B 584 56.235 18.381 8.378 1.00 0.00 H new ATOM 0 HZ2 LYS B 584 57.596 17.789 7.553 1.00 0.00 H new ATOM 0 HZ3 LYS B 584 56.047 17.596 6.884 1.00 0.00 H new ATOM 2232 N GLY B 585 59.084 12.244 5.513 1.00 0.00 N ATOM 2233 CA GLY B 585 58.507 11.228 4.594 1.00 0.00 C ATOM 2234 C GLY B 585 59.580 10.214 4.247 1.00 0.00 C ATOM 2235 O GLY B 585 59.301 9.102 3.842 1.00 0.00 O ATOM 0 H GLY B 585 59.438 13.086 5.059 1.00 0.00 H new ATOM 0 HA2 GLY B 585 57.658 10.732 5.065 1.00 0.00 H new ATOM 0 HA3 GLY B 585 58.134 11.707 3.689 1.00 0.00 H new ATOM 2239 N THR B 586 60.809 10.599 4.410 1.00 0.00 N ATOM 2240 CA THR B 586 61.945 9.685 4.105 1.00 0.00 C ATOM 2241 C THR B 586 62.938 9.749 5.255 1.00 0.00 C ATOM 2242 O THR B 586 64.124 9.551 5.078 1.00 0.00 O ATOM 2243 CB THR B 586 62.624 10.139 2.811 1.00 0.00 C ATOM 2244 OG1 THR B 586 63.606 11.121 3.114 1.00 0.00 O ATOM 2245 CG2 THR B 586 61.572 10.737 1.874 1.00 0.00 C ATOM 0 H THR B 586 61.082 11.522 4.747 1.00 0.00 H new ATOM 0 HA THR B 586 61.587 8.663 3.981 1.00 0.00 H new ATOM 0 HB THR B 586 63.102 9.287 2.327 1.00 0.00 H new ATOM 0 HG1 THR B 586 64.306 10.722 3.671 1.00 0.00 H new ATOM 0 HG21 THR B 586 62.050 11.062 0.950 1.00 0.00 H new ATOM 0 HG22 THR B 586 60.817 9.984 1.646 1.00 0.00 H new ATOM 0 HG23 THR B 586 61.098 11.591 2.357 1.00 0.00 H new ATOM 2253 N PHE B 587 62.463 10.032 6.442 1.00 0.00 N ATOM 2254 CA PHE B 587 63.396 10.116 7.609 1.00 0.00 C ATOM 2255 C PHE B 587 63.539 8.743 8.275 1.00 0.00 C ATOM 2256 O PHE B 587 62.662 8.246 8.952 1.00 0.00 O ATOM 2257 CB PHE B 587 62.910 11.168 8.626 1.00 0.00 C ATOM 2258 CG PHE B 587 61.839 10.608 9.552 1.00 0.00 C ATOM 2259 CD1 PHE B 587 60.707 9.974 9.024 1.00 0.00 C ATOM 2260 CD2 PHE B 587 61.982 10.731 10.942 1.00 0.00 C ATOM 2261 CE1 PHE B 587 59.723 9.465 9.880 1.00 0.00 C ATOM 2262 CE2 PHE B 587 60.998 10.221 11.797 1.00 0.00 C ATOM 2263 CZ PHE B 587 59.869 9.588 11.266 1.00 0.00 C ATOM 0 H PHE B 587 61.481 10.207 6.653 1.00 0.00 H new ATOM 0 HA PHE B 587 64.375 10.428 7.245 1.00 0.00 H new ATOM 0 HB2 PHE B 587 63.755 11.518 9.218 1.00 0.00 H new ATOM 0 HB3 PHE B 587 62.514 12.032 8.093 1.00 0.00 H new ATOM 0 HD1 PHE B 587 60.593 9.878 7.954 1.00 0.00 H new ATOM 0 HD2 PHE B 587 62.853 11.220 11.353 1.00 0.00 H new ATOM 0 HE1 PHE B 587 58.851 8.977 9.470 1.00 0.00 H new ATOM 0 HE2 PHE B 587 61.110 10.316 12.867 1.00 0.00 H new ATOM 0 HZ PHE B 587 59.110 9.194 11.926 1.00 0.00 H new ATOM 2273 N LYS B 588 64.671 8.144 8.073 1.00 0.00 N ATOM 2274 CA LYS B 588 64.976 6.812 8.660 1.00 0.00 C ATOM 2275 C LYS B 588 65.865 7.055 9.886 1.00 0.00 C ATOM 2276 O LYS B 588 66.334 8.153 10.104 1.00 0.00 O ATOM 2277 CB LYS B 588 65.707 5.979 7.574 1.00 0.00 C ATOM 2278 CG LYS B 588 65.142 4.543 7.422 1.00 0.00 C ATOM 2279 CD LYS B 588 63.599 4.467 7.287 1.00 0.00 C ATOM 2280 CE LYS B 588 63.012 5.663 6.521 1.00 0.00 C ATOM 2281 NZ LYS B 588 61.754 5.239 5.844 1.00 0.00 N ATOM 0 H LYS B 588 65.425 8.534 7.507 1.00 0.00 H new ATOM 0 HA LYS B 588 64.085 6.267 8.971 1.00 0.00 H new ATOM 0 HB2 LYS B 588 65.631 6.495 6.617 1.00 0.00 H new ATOM 0 HB3 LYS B 588 66.767 5.921 7.822 1.00 0.00 H new ATOM 0 HG2 LYS B 588 65.594 4.080 6.545 1.00 0.00 H new ATOM 0 HG3 LYS B 588 65.447 3.953 8.286 1.00 0.00 H new ATOM 0 HD2 LYS B 588 63.328 3.544 6.774 1.00 0.00 H new ATOM 0 HD3 LYS B 588 63.153 4.423 8.281 1.00 0.00 H new ATOM 0 HE2 LYS B 588 62.811 6.486 7.206 1.00 0.00 H new ATOM 0 HE3 LYS B 588 63.730 6.028 5.786 1.00 0.00 H new ATOM 0 HZ1 LYS B 588 61.351 6.044 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 588 61.961 4.466 5.180 1.00 0.00 H new ATOM 0 HZ3 LYS B 588 61.071 4.910 6.556 1.00 0.00 H new ATOM 2295 N GLU B 589 66.080 6.064 10.703 1.00 0.00 N ATOM 2296 CA GLU B 589 66.918 6.287 11.920 1.00 0.00 C ATOM 2297 C GLU B 589 67.601 4.994 12.347 1.00 0.00 C ATOM 2298 O GLU B 589 67.166 3.898 12.057 1.00 0.00 O ATOM 2299 CB GLU B 589 66.025 6.823 13.055 1.00 0.00 C ATOM 2300 CG GLU B 589 66.663 6.581 14.432 1.00 0.00 C ATOM 2301 CD GLU B 589 65.916 7.402 15.485 1.00 0.00 C ATOM 2302 OE1 GLU B 589 64.927 6.908 16.001 1.00 0.00 O ATOM 2303 OE2 GLU B 589 66.346 8.511 15.758 1.00 0.00 O ATOM 0 H GLU B 589 65.718 5.118 10.586 1.00 0.00 H new ATOM 0 HA GLU B 589 67.695 7.017 11.692 1.00 0.00 H new ATOM 0 HB2 GLU B 589 65.855 7.890 12.913 1.00 0.00 H new ATOM 0 HB3 GLU B 589 65.050 6.337 13.013 1.00 0.00 H new ATOM 0 HG2 GLU B 589 66.622 5.521 14.684 1.00 0.00 H new ATOM 0 HG3 GLU B 589 67.716 6.864 14.413 1.00 0.00 H new ATOM 2310 N GLN B 590 68.666 5.152 13.063 1.00 0.00 N ATOM 2311 CA GLN B 590 69.435 4.002 13.582 1.00 0.00 C ATOM 2312 C GLN B 590 70.159 4.483 14.835 1.00 0.00 C ATOM 2313 O GLN B 590 70.566 5.623 14.916 1.00 0.00 O ATOM 2314 CB GLN B 590 70.460 3.527 12.537 1.00 0.00 C ATOM 2315 CG GLN B 590 70.900 2.078 12.848 1.00 0.00 C ATOM 2316 CD GLN B 590 70.061 1.080 12.042 1.00 0.00 C ATOM 2317 OE1 GLN B 590 68.916 0.829 12.364 1.00 0.00 O ATOM 2318 NE2 GLN B 590 70.590 0.498 11.001 1.00 0.00 N ATOM 0 H GLN B 590 69.048 6.062 13.319 1.00 0.00 H new ATOM 0 HA GLN B 590 68.773 3.165 13.805 1.00 0.00 H new ATOM 0 HB2 GLN B 590 70.024 3.577 11.539 1.00 0.00 H new ATOM 0 HB3 GLN B 590 71.327 4.188 12.540 1.00 0.00 H new ATOM 0 HG2 GLN B 590 71.956 1.952 12.608 1.00 0.00 H new ATOM 0 HG3 GLN B 590 70.789 1.878 13.914 1.00 0.00 H new ATOM 0 HE21 GLN B 590 71.551 0.709 10.732 1.00 0.00 H new ATOM 0 HE22 GLN B 590 70.043 -0.168 10.456 1.00 0.00 H new ATOM 2327 N ASN B 591 70.326 3.641 15.811 1.00 0.00 N ATOM 2328 CA ASN B 591 71.023 4.067 17.060 1.00 0.00 C ATOM 2329 C ASN B 591 70.484 5.438 17.520 1.00 0.00 C ATOM 2330 O ASN B 591 71.154 6.155 18.230 1.00 0.00 O ATOM 2331 CB ASN B 591 72.558 4.129 16.837 1.00 0.00 C ATOM 2332 CG ASN B 591 72.878 4.300 15.361 1.00 0.00 C ATOM 2333 OD1 ASN B 591 73.429 5.301 14.950 1.00 0.00 O ATOM 2334 ND2 ASN B 591 72.551 3.350 14.545 1.00 0.00 N ATOM 0 H ASN B 591 70.010 2.671 15.801 1.00 0.00 H new ATOM 0 HA ASN B 591 70.826 3.332 17.840 1.00 0.00 H new ATOM 0 HB2 ASN B 591 72.980 4.958 17.405 1.00 0.00 H new ATOM 0 HB3 ASN B 591 73.022 3.217 17.212 1.00 0.00 H new ATOM 0 HD21 ASN B 591 72.756 3.439 13.550 1.00 0.00 H new ATOM 0 HD22 ASN B 591 72.088 2.512 14.897 1.00 0.00 H new ATOM 2341 N ASP B 592 69.273 5.786 17.127 1.00 0.00 N ATOM 2342 CA ASP B 592 68.652 7.095 17.543 1.00 0.00 C ATOM 2343 C ASP B 592 69.152 8.231 16.652 1.00 0.00 C ATOM 2344 O ASP B 592 68.721 9.361 16.766 1.00 0.00 O ATOM 2345 CB ASP B 592 69.000 7.421 19.000 1.00 0.00 C ATOM 2346 CG ASP B 592 69.001 6.140 19.838 1.00 0.00 C ATOM 2347 OD1 ASP B 592 70.031 5.834 20.416 1.00 0.00 O ATOM 2348 OD2 ASP B 592 67.972 5.486 19.887 1.00 0.00 O ATOM 0 H ASP B 592 68.681 5.210 16.528 1.00 0.00 H new ATOM 0 HA ASP B 592 67.571 6.997 17.441 1.00 0.00 H new ATOM 0 HB2 ASP B 592 69.978 7.899 19.051 1.00 0.00 H new ATOM 0 HB3 ASP B 592 68.278 8.130 19.405 1.00 0.00 H new ATOM 2353 N LYS B 593 70.064 7.944 15.780 1.00 0.00 N ATOM 2354 CA LYS B 593 70.614 8.993 14.889 1.00 0.00 C ATOM 2355 C LYS B 593 69.753 9.086 13.617 1.00 0.00 C ATOM 2356 O LYS B 593 69.630 8.111 12.904 1.00 0.00 O ATOM 2357 CB LYS B 593 72.026 8.581 14.500 1.00 0.00 C ATOM 2358 CG LYS B 593 72.835 8.231 15.757 1.00 0.00 C ATOM 2359 CD LYS B 593 74.334 8.342 15.457 1.00 0.00 C ATOM 2360 CE LYS B 593 75.132 8.107 16.741 1.00 0.00 C ATOM 2361 NZ LYS B 593 75.022 9.304 17.623 1.00 0.00 N ATOM 0 H LYS B 593 70.459 7.014 15.643 1.00 0.00 H new ATOM 0 HA LYS B 593 70.617 9.958 15.395 1.00 0.00 H new ATOM 0 HB2 LYS B 593 71.992 7.723 13.829 1.00 0.00 H new ATOM 0 HB3 LYS B 593 72.514 9.391 13.957 1.00 0.00 H new ATOM 0 HG2 LYS B 593 72.567 8.903 16.572 1.00 0.00 H new ATOM 0 HG3 LYS B 593 72.594 7.220 16.086 1.00 0.00 H new ATOM 0 HD2 LYS B 593 74.619 7.611 14.700 1.00 0.00 H new ATOM 0 HD3 LYS B 593 74.562 9.327 15.050 1.00 0.00 H new ATOM 0 HE2 LYS B 593 74.756 7.225 17.259 1.00 0.00 H new ATOM 0 HE3 LYS B 593 76.178 7.914 16.501 1.00 0.00 H new ATOM 0 HZ1 LYS B 593 75.751 9.258 18.363 1.00 0.00 H new ATOM 0 HZ2 LYS B 593 75.157 10.166 17.057 1.00 0.00 H new ATOM 0 HZ3 LYS B 593 74.081 9.324 18.065 1.00 0.00 H new ATOM 2375 N PRO B 594 69.163 10.224 13.298 1.00 0.00 N ATOM 2376 CA PRO B 594 68.343 10.318 12.059 1.00 0.00 C ATOM 2377 C PRO B 594 69.085 9.750 10.840 1.00 0.00 C ATOM 2378 O PRO B 594 70.279 9.532 10.879 1.00 0.00 O ATOM 2379 CB PRO B 594 68.129 11.829 11.948 1.00 0.00 C ATOM 2380 CG PRO B 594 68.304 12.419 13.347 1.00 0.00 C ATOM 2381 CD PRO B 594 69.244 11.477 14.114 1.00 0.00 C ATOM 0 HA PRO B 594 67.417 9.744 12.094 1.00 0.00 H new ATOM 0 HB2 PRO B 594 68.845 12.268 11.254 1.00 0.00 H new ATOM 0 HB3 PRO B 594 67.134 12.048 11.561 1.00 0.00 H new ATOM 0 HG2 PRO B 594 68.724 13.423 13.293 1.00 0.00 H new ATOM 0 HG3 PRO B 594 67.343 12.502 13.854 1.00 0.00 H new ATOM 0 HD2 PRO B 594 70.261 11.867 14.163 1.00 0.00 H new ATOM 0 HD3 PRO B 594 68.913 11.318 15.140 1.00 0.00 H new ATOM 2389 N TYR B 595 68.388 9.488 9.768 1.00 0.00 N ATOM 2390 CA TYR B 595 69.072 8.910 8.571 1.00 0.00 C ATOM 2391 C TYR B 595 68.124 8.899 7.369 1.00 0.00 C ATOM 2392 O TYR B 595 66.974 8.553 7.492 1.00 0.00 O ATOM 2393 CB TYR B 595 69.444 7.440 8.866 1.00 0.00 C ATOM 2394 CG TYR B 595 70.835 7.306 9.449 1.00 0.00 C ATOM 2395 CD1 TYR B 595 71.942 7.687 8.691 1.00 0.00 C ATOM 2396 CD2 TYR B 595 71.019 6.762 10.729 1.00 0.00 C ATOM 2397 CE1 TYR B 595 73.236 7.531 9.208 1.00 0.00 C ATOM 2398 CE2 TYR B 595 72.312 6.611 11.246 1.00 0.00 C ATOM 2399 CZ TYR B 595 73.419 6.994 10.484 1.00 0.00 C ATOM 2400 OH TYR B 595 74.693 6.841 10.992 1.00 0.00 O ATOM 0 H TYR B 595 67.385 9.646 9.667 1.00 0.00 H new ATOM 0 HA TYR B 595 69.953 9.513 8.353 1.00 0.00 H new ATOM 0 HB2 TYR B 595 68.719 7.016 9.561 1.00 0.00 H new ATOM 0 HB3 TYR B 595 69.381 6.860 7.946 1.00 0.00 H new ATOM 0 HD1 TYR B 595 71.802 8.103 7.704 1.00 0.00 H new ATOM 0 HD2 TYR B 595 70.164 6.460 11.316 1.00 0.00 H new ATOM 0 HE1 TYR B 595 74.092 7.826 8.619 1.00 0.00 H new ATOM 0 HE2 TYR B 595 72.453 6.198 12.234 1.00 0.00 H new ATOM 0 HH TYR B 595 74.643 6.686 11.958 1.00 0.00 H new ATOM 2410 N CYS B 596 68.616 9.167 6.192 1.00 0.00 N ATOM 2411 CA CYS B 596 67.731 9.042 5.006 1.00 0.00 C ATOM 2412 C CYS B 596 67.664 7.555 4.740 1.00 0.00 C ATOM 2413 O CYS B 596 68.573 6.828 5.091 1.00 0.00 O ATOM 2414 CB CYS B 596 68.319 9.733 3.764 1.00 0.00 C ATOM 2415 SG CYS B 596 68.881 11.404 4.149 1.00 0.00 S ATOM 0 H CYS B 596 69.574 9.462 6.003 1.00 0.00 H new ATOM 0 HA CYS B 596 66.764 9.508 5.197 1.00 0.00 H new ATOM 0 HB2 CYS B 596 69.153 9.146 3.379 1.00 0.00 H new ATOM 0 HB3 CYS B 596 67.566 9.772 2.976 1.00 0.00 H new ATOM 0 HG CYS B 596 69.910 11.344 4.941 1.00 0.00 H new ATOM 2420 N GLN B 597 66.640 7.069 4.124 1.00 0.00 N ATOM 2421 CA GLN B 597 66.627 5.618 3.869 1.00 0.00 C ATOM 2422 C GLN B 597 67.848 5.326 2.997 1.00 0.00 C ATOM 2423 O GLN B 597 68.718 4.563 3.357 1.00 0.00 O ATOM 2424 CB GLN B 597 65.298 5.229 3.182 1.00 0.00 C ATOM 2425 CG GLN B 597 65.435 3.957 2.326 1.00 0.00 C ATOM 2426 CD GLN B 597 65.224 2.718 3.195 1.00 0.00 C ATOM 2427 OE1 GLN B 597 64.686 1.726 2.746 1.00 0.00 O ATOM 2428 NE2 GLN B 597 65.630 2.740 4.428 1.00 0.00 N ATOM 0 H GLN B 597 65.831 7.595 3.793 1.00 0.00 H new ATOM 0 HA GLN B 597 66.684 5.029 4.784 1.00 0.00 H new ATOM 0 HB2 GLN B 597 64.531 5.073 3.941 1.00 0.00 H new ATOM 0 HB3 GLN B 597 64.961 6.053 2.553 1.00 0.00 H new ATOM 0 HG2 GLN B 597 64.705 3.973 1.517 1.00 0.00 H new ATOM 0 HG3 GLN B 597 66.422 3.924 1.864 1.00 0.00 H new ATOM 0 HE21 GLN B 597 66.081 3.575 4.801 1.00 0.00 H new ATOM 0 HE22 GLN B 597 65.498 1.922 5.023 1.00 0.00 H new ATOM 2437 N ASN B 598 67.918 5.954 1.861 1.00 0.00 N ATOM 2438 CA ASN B 598 69.075 5.744 0.954 1.00 0.00 C ATOM 2439 C ASN B 598 70.371 5.811 1.758 1.00 0.00 C ATOM 2440 O ASN B 598 71.364 5.222 1.393 1.00 0.00 O ATOM 2441 CB ASN B 598 69.069 6.836 -0.124 1.00 0.00 C ATOM 2442 CG ASN B 598 67.633 7.189 -0.482 1.00 0.00 C ATOM 2443 OD1 ASN B 598 67.255 8.343 -0.487 1.00 0.00 O ATOM 2444 ND2 ASN B 598 66.817 6.231 -0.784 1.00 0.00 N ATOM 0 H ASN B 598 67.216 6.610 1.519 1.00 0.00 H new ATOM 0 HA ASN B 598 69.003 4.765 0.479 1.00 0.00 H new ATOM 0 HB2 ASN B 598 69.593 7.721 0.237 1.00 0.00 H new ATOM 0 HB3 ASN B 598 69.601 6.490 -1.010 1.00 0.00 H new ATOM 0 HD21 ASN B 598 65.850 6.443 -1.028 1.00 0.00 H new ATOM 0 HD22 ASN B 598 67.141 5.264 -0.778 1.00 0.00 H new ATOM 2451 N CYS B 599 70.362 6.520 2.852 1.00 0.00 N ATOM 2452 CA CYS B 599 71.584 6.622 3.688 1.00 0.00 C ATOM 2453 C CYS B 599 71.643 5.424 4.636 1.00 0.00 C ATOM 2454 O CYS B 599 72.534 4.610 4.549 1.00 0.00 O ATOM 2455 CB CYS B 599 71.539 7.919 4.498 1.00 0.00 C ATOM 2456 SG CYS B 599 71.923 9.316 3.415 1.00 0.00 S ATOM 0 H CYS B 599 69.554 7.035 3.203 1.00 0.00 H new ATOM 0 HA CYS B 599 72.469 6.627 3.051 1.00 0.00 H new ATOM 0 HB2 CYS B 599 70.552 8.049 4.942 1.00 0.00 H new ATOM 0 HB3 CYS B 599 72.255 7.873 5.319 1.00 0.00 H new ATOM 0 HG CYS B 599 73.180 9.276 3.084 1.00 0.00 H new ATOM 2461 N PHE B 600 70.695 5.309 5.534 1.00 0.00 N ATOM 2462 CA PHE B 600 70.689 4.168 6.493 1.00 0.00 C ATOM 2463 C PHE B 600 70.801 2.852 5.717 1.00 0.00 C ATOM 2464 O PHE B 600 71.661 2.037 5.983 1.00 0.00 O ATOM 2465 CB PHE B 600 69.380 4.234 7.323 1.00 0.00 C ATOM 2466 CG PHE B 600 68.730 2.872 7.478 1.00 0.00 C ATOM 2467 CD1 PHE B 600 67.890 2.383 6.472 1.00 0.00 C ATOM 2468 CD2 PHE B 600 68.967 2.106 8.625 1.00 0.00 C ATOM 2469 CE1 PHE B 600 67.285 1.129 6.611 1.00 0.00 C ATOM 2470 CE2 PHE B 600 68.362 0.851 8.765 1.00 0.00 C ATOM 2471 CZ PHE B 600 67.521 0.363 7.758 1.00 0.00 C ATOM 0 H PHE B 600 69.920 5.964 5.642 1.00 0.00 H new ATOM 0 HA PHE B 600 71.538 4.225 7.174 1.00 0.00 H new ATOM 0 HB2 PHE B 600 69.597 4.645 8.309 1.00 0.00 H new ATOM 0 HB3 PHE B 600 68.680 4.916 6.840 1.00 0.00 H new ATOM 0 HD1 PHE B 600 67.708 2.974 5.587 1.00 0.00 H new ATOM 0 HD2 PHE B 600 69.616 2.483 9.402 1.00 0.00 H new ATOM 0 HE1 PHE B 600 66.636 0.753 5.834 1.00 0.00 H new ATOM 0 HE2 PHE B 600 68.544 0.259 9.650 1.00 0.00 H new ATOM 0 HZ PHE B 600 67.054 -0.605 7.866 1.00 0.00 H new ATOM 2481 N LEU B 601 69.936 2.635 4.766 1.00 0.00 N ATOM 2482 CA LEU B 601 69.997 1.370 3.987 1.00 0.00 C ATOM 2483 C LEU B 601 71.438 1.164 3.516 1.00 0.00 C ATOM 2484 O LEU B 601 71.971 0.074 3.572 1.00 0.00 O ATOM 2485 CB LEU B 601 68.976 1.458 2.817 1.00 0.00 C ATOM 2486 CG LEU B 601 69.644 1.571 1.420 1.00 0.00 C ATOM 2487 CD1 LEU B 601 70.339 0.245 1.023 1.00 0.00 C ATOM 2488 CD2 LEU B 601 68.558 1.895 0.386 1.00 0.00 C ATOM 0 H LEU B 601 69.192 3.278 4.496 1.00 0.00 H new ATOM 0 HA LEU B 601 69.723 0.503 4.588 1.00 0.00 H new ATOM 0 HB2 LEU B 601 68.337 0.575 2.835 1.00 0.00 H new ATOM 0 HB3 LEU B 601 68.330 2.322 2.973 1.00 0.00 H new ATOM 0 HG LEU B 601 70.399 2.357 1.453 1.00 0.00 H new ATOM 0 HD11 LEU B 601 70.798 0.355 0.040 1.00 0.00 H new ATOM 0 HD12 LEU B 601 71.107 0.003 1.757 1.00 0.00 H new ATOM 0 HD13 LEU B 601 69.602 -0.557 0.992 1.00 0.00 H new ATOM 0 HD21 LEU B 601 69.010 1.978 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU B 601 67.813 1.099 0.379 1.00 0.00 H new ATOM 0 HD23 LEU B 601 68.078 2.838 0.646 1.00 0.00 H new ATOM 2500 N LYS B 602 72.073 2.206 3.064 1.00 0.00 N ATOM 2501 CA LYS B 602 73.486 2.069 2.599 1.00 0.00 C ATOM 2502 C LYS B 602 74.332 1.419 3.707 1.00 0.00 C ATOM 2503 O LYS B 602 75.373 0.849 3.452 1.00 0.00 O ATOM 2504 CB LYS B 602 74.067 3.469 2.271 1.00 0.00 C ATOM 2505 CG LYS B 602 74.961 3.425 1.027 1.00 0.00 C ATOM 2506 CD LYS B 602 76.078 2.391 1.199 1.00 0.00 C ATOM 2507 CE LYS B 602 77.152 2.629 0.131 1.00 0.00 C ATOM 2508 NZ LYS B 602 78.039 3.750 0.550 1.00 0.00 N ATOM 0 H LYS B 602 71.680 3.145 2.995 1.00 0.00 H new ATOM 0 HA LYS B 602 73.509 1.446 1.705 1.00 0.00 H new ATOM 0 HB2 LYS B 602 73.252 4.175 2.111 1.00 0.00 H new ATOM 0 HB3 LYS B 602 74.642 3.835 3.122 1.00 0.00 H new ATOM 0 HG2 LYS B 602 74.362 3.178 0.151 1.00 0.00 H new ATOM 0 HG3 LYS B 602 75.394 4.409 0.849 1.00 0.00 H new ATOM 0 HD2 LYS B 602 76.514 2.471 2.195 1.00 0.00 H new ATOM 0 HD3 LYS B 602 75.674 1.383 1.108 1.00 0.00 H new ATOM 0 HE2 LYS B 602 77.740 1.723 -0.015 1.00 0.00 H new ATOM 0 HE3 LYS B 602 76.683 2.862 -0.825 1.00 0.00 H new ATOM 0 HZ1 LYS B 602 78.414 4.230 -0.293 1.00 0.00 H new ATOM 0 HZ2 LYS B 602 77.495 4.428 1.121 1.00 0.00 H new ATOM 0 HZ3 LYS B 602 78.828 3.376 1.115 1.00 0.00 H new ATOM 2522 N LEU B 603 73.913 1.548 4.940 1.00 0.00 N ATOM 2523 CA LEU B 603 74.711 0.990 6.080 1.00 0.00 C ATOM 2524 C LEU B 603 74.245 -0.421 6.461 1.00 0.00 C ATOM 2525 O LEU B 603 75.024 -1.354 6.482 1.00 0.00 O ATOM 2526 CB LEU B 603 74.557 1.924 7.294 1.00 0.00 C ATOM 2527 CG LEU B 603 74.416 3.376 6.820 1.00 0.00 C ATOM 2528 CD1 LEU B 603 74.314 4.304 8.029 1.00 0.00 C ATOM 2529 CD2 LEU B 603 75.637 3.773 5.983 1.00 0.00 C ATOM 0 H LEU B 603 73.049 2.018 5.210 1.00 0.00 H new ATOM 0 HA LEU B 603 75.754 0.924 5.772 1.00 0.00 H new ATOM 0 HB2 LEU B 603 73.682 1.636 7.877 1.00 0.00 H new ATOM 0 HB3 LEU B 603 75.423 1.829 7.950 1.00 0.00 H new ATOM 0 HG LEU B 603 73.515 3.464 6.212 1.00 0.00 H new ATOM 0 HD11 LEU B 603 74.214 5.335 7.689 1.00 0.00 H new ATOM 0 HD12 LEU B 603 73.442 4.032 8.624 1.00 0.00 H new ATOM 0 HD13 LEU B 603 75.213 4.208 8.638 1.00 0.00 H new ATOM 0 HD21 LEU B 603 75.530 4.805 5.650 1.00 0.00 H new ATOM 0 HD22 LEU B 603 76.539 3.679 6.588 1.00 0.00 H new ATOM 0 HD23 LEU B 603 75.712 3.118 5.115 1.00 0.00 H new ATOM 2541 N PHE B 604 72.993 -0.582 6.792 1.00 0.00 N ATOM 2542 CA PHE B 604 72.491 -1.929 7.206 1.00 0.00 C ATOM 2543 C PHE B 604 72.054 -2.736 5.973 1.00 0.00 C ATOM 2544 O PHE B 604 71.158 -3.554 6.042 1.00 0.00 O ATOM 2545 CB PHE B 604 71.311 -1.740 8.187 1.00 0.00 C ATOM 2546 CG PHE B 604 71.816 -1.752 9.622 1.00 0.00 C ATOM 2547 CD1 PHE B 604 72.751 -0.796 10.052 1.00 0.00 C ATOM 2548 CD2 PHE B 604 71.352 -2.726 10.521 1.00 0.00 C ATOM 2549 CE1 PHE B 604 73.215 -0.816 11.373 1.00 0.00 C ATOM 2550 CE2 PHE B 604 71.819 -2.742 11.840 1.00 0.00 C ATOM 2551 CZ PHE B 604 72.749 -1.788 12.266 1.00 0.00 C ATOM 0 H PHE B 604 72.293 0.160 6.795 1.00 0.00 H new ATOM 0 HA PHE B 604 73.286 -2.485 7.702 1.00 0.00 H new ATOM 0 HB2 PHE B 604 70.803 -0.798 7.980 1.00 0.00 H new ATOM 0 HB3 PHE B 604 70.579 -2.535 8.044 1.00 0.00 H new ATOM 0 HD1 PHE B 604 73.112 -0.046 9.364 1.00 0.00 H new ATOM 0 HD2 PHE B 604 70.634 -3.463 10.194 1.00 0.00 H new ATOM 0 HE1 PHE B 604 73.933 -0.080 11.703 1.00 0.00 H new ATOM 0 HE2 PHE B 604 71.461 -3.492 12.530 1.00 0.00 H new ATOM 0 HZ PHE B 604 73.108 -1.801 13.285 1.00 0.00 H new ATOM 2561 N CYS B 605 72.688 -2.526 4.848 1.00 0.00 N ATOM 2562 CA CYS B 605 72.316 -3.296 3.618 1.00 0.00 C ATOM 2563 C CYS B 605 73.581 -3.617 2.815 1.00 0.00 C ATOM 2564 O CYS B 605 74.121 -2.705 2.210 1.00 0.00 O ATOM 2565 CB CYS B 605 71.355 -2.465 2.760 1.00 0.00 C ATOM 2566 SG CYS B 605 70.377 -3.571 1.712 1.00 0.00 S ATOM 2567 OXT CYS B 605 73.984 -4.768 2.818 1.00 0.00 O ATOM 0 H CYS B 605 73.447 -1.856 4.726 1.00 0.00 H new ATOM 0 HA CYS B 605 71.825 -4.226 3.906 1.00 0.00 H new ATOM 0 HB2 CYS B 605 70.697 -1.875 3.398 1.00 0.00 H new ATOM 0 HB3 CYS B 605 71.915 -1.762 2.143 1.00 0.00 H new ATOM 0 HG CYS B 605 69.559 -2.869 0.985 1.00 0.00 H new