USER MOD reduce.3.24.130724 H: found=0, std=0, add=1131, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1119 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 575 CYS SG : rot -121:sc= -0.984 USER MOD Set 1.2: B 578 CYS SG : rot 53:sc= 0.829 USER MOD Set 1.3: B 596 CYS SG : rot 66:sc= -1.44 USER MOD Set 1.4: B 599 CYS SG : rot -87:sc= 1.14 USER MOD Set 2.1: B 562 THR OG1 : rot 180:sc= 0.0207 USER MOD Set 2.2: B 567 LYS NZ :NH3+ 145:sc= 0.0196 (180deg=0) USER MOD Set 3.1: B 549 CYS SG : rot 16:sc= -0.563 USER MOD Set 3.2: B 552 CYS SG : rot 180:sc= 0.282 USER MOD Set 3.3: B 569 HIS : no HE2:sc= -5.4! C(o=-11!,f=-24!) USER MOD Set 3.4: B 572 HIS : no HD1:sc= -5.43! C(o=-11!,f=-18!) USER MOD Single : A 17 THR OG1 : rot 48:sc= -4.73! USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.457 X(o=-0.46,f=-0.33) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.446 USER MOD Single : A 28 ASN : amide:sc= -2.94! K(o=-2.9!,f=-1.4) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -170:sc= -2.01 USER MOD Single : A 40 HIS : no HD1:sc= 0.0158 K(o=0.016,f=-0.63) USER MOD Single : A 45 MET CE :methyl -135:sc= -1.13 (180deg=-3.75!) USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.051) USER MOD Single : A 51 LYS NZ :NH3+ -150:sc= -0.403 (180deg=-0.963) USER MOD Single : A 55 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.106) USER MOD Single : A 56 LYS NZ :NH3+ 157:sc= -0.165 (180deg=-0.879) USER MOD Single : A 59 SER OG : rot 47:sc= 0.226 USER MOD Single : A 61 HIS : no HD1:sc= -17.1! C(o=-17!,f=-17!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 74 LYS NZ :NH3+ 160:sc= -1.75 (180deg=-2.31) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.588 USER MOD Single : A 76 HIS : no HE2:sc= -0.496 K(o=-0.5,f=-3.5!) USER MOD Single : A 78 THR OG1 : rot -168:sc= -1.36 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -2.78! K(o=-2.8!,f=-1.4) USER MOD Single : A 89 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.218) USER MOD Single : A 91 GLN : amide:sc= -8.7! C(o=-8.7!,f=-13!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : B 547 SER OG : rot 180:sc= 0 USER MOD Single : B 550 SER OG : rot 130:sc= 0 USER MOD Single : B 553 GLN : amide:sc= -3.4! K(o=-3.4!,f=-1.2) USER MOD Single : B 554 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0408) USER MOD Single : B 557 THR OG1 : rot 61:sc= 0.864 USER MOD Single : B 560 CYS SG : rot 31:sc= 0.372 USER MOD Single : B 564 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 566 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 580 LYS NZ :NH3+ 158:sc= -0.0568 (180deg=-0.844) USER MOD Single : B 581 GLN : amide:sc= -5.17! C(o=-5.2!,f=-2.6!) USER MOD Single : B 583 ASN : amide:sc= -1.97! C(o=-2!,f=-3.5!) USER MOD Single : B 584 LYS NZ :NH3+ -130:sc= -1.28 (180deg=-3.11!) USER MOD Single : B 586 THR OG1 : rot 67:sc= 0.551 USER MOD Single : B 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 590 GLN : amide:sc= -3.17! K(o=-3.2!,f=-0.85) USER MOD Single : B 591 ASN : amide:sc= -9.25! C(o=-9.3!,f=-6.2!) USER MOD Single : B 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 595 TYR OH : rot 180:sc= 0 USER MOD Single : B 597 GLN : amide:sc= -4.71! K(o=-4.7!,f=-0.26) USER MOD Single : B 598 ASN : amide:sc= -0.625! C(o=-0.62!,f=-0.55!) USER MOD Single : B 602 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.887) USER MOD Single : B 605 CYS SG : rot -31:sc= -0.35! USER MOD ----------------------------------------------------------------- ATOM 213 N GLY A 16 89.851 -13.847 14.145 1.00 0.00 N ATOM 214 CA GLY A 16 89.954 -13.517 12.696 1.00 0.00 C ATOM 215 C GLY A 16 89.701 -12.027 12.499 1.00 0.00 C ATOM 216 O GLY A 16 89.203 -11.605 11.474 1.00 0.00 O ATOM 0 HA2 GLY A 16 90.942 -13.782 12.320 1.00 0.00 H new ATOM 0 HA3 GLY A 16 89.229 -14.099 12.126 1.00 0.00 H new ATOM 220 N THR A 17 90.036 -11.221 13.473 1.00 0.00 N ATOM 221 CA THR A 17 89.808 -9.754 13.339 1.00 0.00 C ATOM 222 C THR A 17 91.083 -9.070 12.863 1.00 0.00 C ATOM 223 O THR A 17 92.133 -9.180 13.465 1.00 0.00 O ATOM 224 CB THR A 17 89.427 -9.146 14.688 1.00 0.00 C ATOM 225 OG1 THR A 17 89.740 -7.769 14.666 1.00 0.00 O ATOM 226 CG2 THR A 17 90.212 -9.831 15.801 1.00 0.00 C ATOM 0 H THR A 17 90.457 -11.516 14.354 1.00 0.00 H new ATOM 0 HA THR A 17 89.002 -9.605 12.621 1.00 0.00 H new ATOM 0 HB THR A 17 88.361 -9.284 14.870 1.00 0.00 H new ATOM 0 HG1 THR A 17 89.395 -7.368 13.841 1.00 0.00 H new ATOM 0 HG21 THR A 17 89.938 -9.395 16.761 1.00 0.00 H new ATOM 0 HG22 THR A 17 89.981 -10.896 15.807 1.00 0.00 H new ATOM 0 HG23 THR A 17 91.280 -9.693 15.631 1.00 0.00 H new ATOM 234 N TRP A 18 90.977 -8.338 11.800 1.00 0.00 N ATOM 235 CA TRP A 18 92.141 -7.583 11.254 1.00 0.00 C ATOM 236 C TRP A 18 91.695 -6.132 11.050 1.00 0.00 C ATOM 237 O TRP A 18 90.758 -5.858 10.326 1.00 0.00 O ATOM 238 CB TRP A 18 92.598 -8.199 9.915 1.00 0.00 C ATOM 239 CG TRP A 18 91.529 -9.072 9.335 1.00 0.00 C ATOM 240 CD1 TRP A 18 90.286 -8.664 8.991 1.00 0.00 C ATOM 241 CD2 TRP A 18 91.597 -10.492 9.016 1.00 0.00 C ATOM 242 NE1 TRP A 18 89.588 -9.745 8.483 1.00 0.00 N ATOM 243 CE2 TRP A 18 90.352 -10.894 8.481 1.00 0.00 C ATOM 244 CE3 TRP A 18 92.608 -11.460 9.142 1.00 0.00 C ATOM 245 CZ2 TRP A 18 90.118 -12.211 8.082 1.00 0.00 C ATOM 246 CZ3 TRP A 18 92.377 -12.786 8.743 1.00 0.00 C ATOM 247 CH2 TRP A 18 91.135 -13.161 8.214 1.00 0.00 C ATOM 0 H TRP A 18 90.113 -8.225 11.269 1.00 0.00 H new ATOM 0 HA TRP A 18 92.984 -7.628 11.944 1.00 0.00 H new ATOM 0 HB2 TRP A 18 92.846 -7.405 9.211 1.00 0.00 H new ATOM 0 HB3 TRP A 18 93.505 -8.783 10.070 1.00 0.00 H new ATOM 0 HD1 TRP A 18 89.902 -7.660 9.096 1.00 0.00 H new ATOM 0 HE1 TRP A 18 88.625 -9.698 8.150 1.00 0.00 H new ATOM 0 HE3 TRP A 18 93.569 -11.182 9.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 89.159 -12.494 7.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 93.161 -13.521 8.844 1.00 0.00 H new ATOM 0 HH2 TRP A 18 90.964 -14.183 7.909 1.00 0.00 H new ATOM 258 N GLU A 19 92.347 -5.199 11.685 1.00 0.00 N ATOM 259 CA GLU A 19 91.934 -3.775 11.518 1.00 0.00 C ATOM 260 C GLU A 19 92.392 -3.282 10.150 1.00 0.00 C ATOM 261 O GLU A 19 93.548 -3.390 9.792 1.00 0.00 O ATOM 262 CB GLU A 19 92.524 -2.875 12.637 1.00 0.00 C ATOM 263 CG GLU A 19 93.591 -3.629 13.417 1.00 0.00 C ATOM 264 CD GLU A 19 94.673 -4.135 12.461 1.00 0.00 C ATOM 265 OE1 GLU A 19 95.322 -3.309 11.841 1.00 0.00 O ATOM 266 OE2 GLU A 19 94.834 -5.341 12.365 1.00 0.00 O ATOM 0 H GLU A 19 93.140 -5.356 12.307 1.00 0.00 H new ATOM 0 HA GLU A 19 90.848 -3.717 11.591 1.00 0.00 H new ATOM 0 HB2 GLU A 19 92.953 -1.974 12.199 1.00 0.00 H new ATOM 0 HB3 GLU A 19 91.730 -2.555 13.311 1.00 0.00 H new ATOM 0 HG2 GLU A 19 94.034 -2.976 14.169 1.00 0.00 H new ATOM 0 HG3 GLU A 19 93.141 -4.468 13.948 1.00 0.00 H new ATOM 273 N LEU A 20 91.493 -2.727 9.390 1.00 0.00 N ATOM 274 CA LEU A 20 91.873 -2.211 8.051 1.00 0.00 C ATOM 275 C LEU A 20 92.438 -0.808 8.243 1.00 0.00 C ATOM 276 O LEU A 20 91.883 -0.004 8.957 1.00 0.00 O ATOM 277 CB LEU A 20 90.619 -2.173 7.142 1.00 0.00 C ATOM 278 CG LEU A 20 90.863 -2.932 5.821 1.00 0.00 C ATOM 279 CD1 LEU A 20 92.102 -2.375 5.093 1.00 0.00 C ATOM 280 CD2 LEU A 20 91.039 -4.440 6.100 1.00 0.00 C ATOM 0 H LEU A 20 90.511 -2.609 9.639 1.00 0.00 H new ATOM 0 HA LEU A 20 92.618 -2.851 7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 20 89.773 -2.615 7.667 1.00 0.00 H new ATOM 0 HB3 LEU A 20 90.355 -1.138 6.926 1.00 0.00 H new ATOM 0 HG LEU A 20 89.995 -2.791 5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 20 92.256 -2.924 4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 20 91.948 -1.319 4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 20 92.979 -2.487 5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 20 91.211 -4.966 5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 20 91.892 -4.590 6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 20 90.139 -4.830 6.575 1.00 0.00 H new ATOM 292 N SER A 21 93.532 -0.509 7.616 1.00 0.00 N ATOM 293 CA SER A 21 94.121 0.843 7.779 1.00 0.00 C ATOM 294 C SER A 21 93.343 1.826 6.926 1.00 0.00 C ATOM 295 O SER A 21 92.878 1.497 5.852 1.00 0.00 O ATOM 296 CB SER A 21 95.585 0.823 7.335 1.00 0.00 C ATOM 297 OG SER A 21 96.309 1.805 8.064 1.00 0.00 O ATOM 0 H SER A 21 94.045 -1.139 6.999 1.00 0.00 H new ATOM 0 HA SER A 21 94.070 1.143 8.826 1.00 0.00 H new ATOM 0 HB2 SER A 21 96.015 -0.164 7.505 1.00 0.00 H new ATOM 0 HB3 SER A 21 95.656 1.022 6.266 1.00 0.00 H new ATOM 0 HG SER A 21 97.248 1.794 7.784 1.00 0.00 H new ATOM 303 N VAL A 22 93.202 3.034 7.394 1.00 0.00 N ATOM 304 CA VAL A 22 92.457 4.058 6.607 1.00 0.00 C ATOM 305 C VAL A 22 93.204 5.388 6.646 1.00 0.00 C ATOM 306 O VAL A 22 93.169 6.114 7.619 1.00 0.00 O ATOM 307 CB VAL A 22 91.031 4.213 7.161 1.00 0.00 C ATOM 308 CG1 VAL A 22 90.391 5.501 6.636 1.00 0.00 C ATOM 309 CG2 VAL A 22 90.193 3.029 6.687 1.00 0.00 C ATOM 0 H VAL A 22 93.570 3.358 8.288 1.00 0.00 H new ATOM 0 HA VAL A 22 92.387 3.733 5.569 1.00 0.00 H new ATOM 0 HB VAL A 22 91.074 4.251 8.249 1.00 0.00 H new ATOM 0 HG11 VAL A 22 89.382 5.596 7.037 1.00 0.00 H new ATOM 0 HG12 VAL A 22 90.988 6.358 6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 22 90.347 5.468 5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 22 89.178 3.124 7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 22 90.168 3.014 5.597 1.00 0.00 H new ATOM 0 HG23 VAL A 22 90.634 2.102 7.053 1.00 0.00 H new ATOM 319 N HIS A 23 93.860 5.712 5.570 1.00 0.00 N ATOM 320 CA HIS A 23 94.601 6.995 5.490 1.00 0.00 C ATOM 321 C HIS A 23 93.597 8.098 5.190 1.00 0.00 C ATOM 322 O HIS A 23 93.130 8.225 4.076 1.00 0.00 O ATOM 323 CB HIS A 23 95.613 6.896 4.345 1.00 0.00 C ATOM 324 CG HIS A 23 96.888 6.257 4.833 1.00 0.00 C ATOM 325 ND1 HIS A 23 98.127 6.852 4.657 1.00 0.00 N ATOM 326 CD2 HIS A 23 97.129 5.078 5.493 1.00 0.00 C ATOM 327 CE1 HIS A 23 99.049 6.037 5.200 1.00 0.00 C ATOM 328 NE2 HIS A 23 98.494 4.940 5.723 1.00 0.00 N ATOM 0 H HIS A 23 93.914 5.133 4.732 1.00 0.00 H new ATOM 0 HA HIS A 23 95.123 7.209 6.423 1.00 0.00 H new ATOM 0 HB2 HIS A 23 95.193 6.309 3.528 1.00 0.00 H new ATOM 0 HB3 HIS A 23 95.824 7.889 3.949 1.00 0.00 H new ATOM 0 HD2 HIS A 23 96.373 4.365 5.789 1.00 0.00 H new ATOM 0 HE1 HIS A 23 100.109 6.244 5.212 1.00 0.00 H new ATOM 0 HE2 HIS A 23 98.969 4.168 6.190 1.00 0.00 H new ATOM 336 N VAL A 24 93.243 8.901 6.156 1.00 0.00 N ATOM 337 CA VAL A 24 92.259 9.967 5.851 1.00 0.00 C ATOM 338 C VAL A 24 92.946 11.066 5.055 1.00 0.00 C ATOM 339 O VAL A 24 93.882 11.690 5.514 1.00 0.00 O ATOM 340 CB VAL A 24 91.681 10.554 7.137 1.00 0.00 C ATOM 341 CG1 VAL A 24 90.407 11.332 6.797 1.00 0.00 C ATOM 342 CG2 VAL A 24 91.352 9.426 8.119 1.00 0.00 C ATOM 0 H VAL A 24 93.584 8.865 7.117 1.00 0.00 H new ATOM 0 HA VAL A 24 91.443 9.537 5.270 1.00 0.00 H new ATOM 0 HB VAL A 24 92.409 11.222 7.598 1.00 0.00 H new ATOM 0 HG11 VAL A 24 89.985 11.756 7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 24 90.646 12.135 6.100 1.00 0.00 H new ATOM 0 HG13 VAL A 24 89.681 10.660 6.340 1.00 0.00 H new ATOM 0 HG21 VAL A 24 90.940 9.850 9.035 1.00 0.00 H new ATOM 0 HG22 VAL A 24 90.621 8.754 7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 24 92.260 8.871 8.353 1.00 0.00 H new ATOM 352 N THR A 25 92.493 11.305 3.859 1.00 0.00 N ATOM 353 CA THR A 25 93.126 12.362 3.025 1.00 0.00 C ATOM 354 C THR A 25 92.506 13.718 3.367 1.00 0.00 C ATOM 355 O THR A 25 93.128 14.751 3.214 1.00 0.00 O ATOM 356 CB THR A 25 92.904 12.036 1.544 1.00 0.00 C ATOM 357 OG1 THR A 25 91.672 12.600 1.116 1.00 0.00 O ATOM 358 CG2 THR A 25 92.872 10.515 1.349 1.00 0.00 C ATOM 0 H THR A 25 91.712 10.815 3.422 1.00 0.00 H new ATOM 0 HA THR A 25 94.197 12.402 3.225 1.00 0.00 H new ATOM 0 HB THR A 25 93.719 12.455 0.954 1.00 0.00 H new ATOM 0 HG1 THR A 25 91.529 12.394 0.169 1.00 0.00 H new ATOM 0 HG21 THR A 25 92.714 10.287 0.295 1.00 0.00 H new ATOM 0 HG22 THR A 25 93.820 10.086 1.675 1.00 0.00 H new ATOM 0 HG23 THR A 25 92.060 10.090 1.938 1.00 0.00 H new ATOM 366 N ASP A 26 91.292 13.725 3.845 1.00 0.00 N ATOM 367 CA ASP A 26 90.646 15.017 4.213 1.00 0.00 C ATOM 368 C ASP A 26 91.198 15.474 5.565 1.00 0.00 C ATOM 369 O ASP A 26 90.941 16.572 6.018 1.00 0.00 O ATOM 370 CB ASP A 26 89.132 14.823 4.316 1.00 0.00 C ATOM 371 CG ASP A 26 88.444 16.187 4.395 1.00 0.00 C ATOM 372 OD1 ASP A 26 88.635 16.868 5.391 1.00 0.00 O ATOM 373 OD2 ASP A 26 87.739 16.529 3.461 1.00 0.00 O ATOM 0 H ASP A 26 90.720 12.894 3.997 1.00 0.00 H new ATOM 0 HA ASP A 26 90.857 15.768 3.452 1.00 0.00 H new ATOM 0 HB2 ASP A 26 88.766 14.270 3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 26 88.890 14.231 5.199 1.00 0.00 H new ATOM 378 N LEU A 27 91.960 14.626 6.208 1.00 0.00 N ATOM 379 CA LEU A 27 92.556 14.969 7.540 1.00 0.00 C ATOM 380 C LEU A 27 94.056 14.655 7.500 1.00 0.00 C ATOM 381 O LEU A 27 94.827 15.182 8.273 1.00 0.00 O ATOM 382 CB LEU A 27 91.874 14.108 8.628 1.00 0.00 C ATOM 383 CG LEU A 27 90.777 14.908 9.353 1.00 0.00 C ATOM 384 CD1 LEU A 27 89.766 13.943 9.978 1.00 0.00 C ATOM 385 CD2 LEU A 27 91.406 15.755 10.459 1.00 0.00 C ATOM 0 H LEU A 27 92.199 13.696 5.863 1.00 0.00 H new ATOM 0 HA LEU A 27 92.407 16.025 7.765 1.00 0.00 H new ATOM 0 HB2 LEU A 27 91.440 13.217 8.174 1.00 0.00 H new ATOM 0 HB3 LEU A 27 92.618 13.768 9.348 1.00 0.00 H new ATOM 0 HG LEU A 27 90.273 15.555 8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 27 88.990 14.511 10.491 1.00 0.00 H new ATOM 0 HD12 LEU A 27 89.313 13.334 9.196 1.00 0.00 H new ATOM 0 HD13 LEU A 27 90.274 13.296 10.693 1.00 0.00 H new ATOM 0 HD21 LEU A 27 90.628 16.321 10.971 1.00 0.00 H new ATOM 0 HD22 LEU A 27 91.911 15.104 11.173 1.00 0.00 H new ATOM 0 HD23 LEU A 27 92.128 16.445 10.023 1.00 0.00 H new ATOM 397 N ASN A 28 94.451 13.783 6.610 1.00 0.00 N ATOM 398 CA ASN A 28 95.888 13.386 6.487 1.00 0.00 C ATOM 399 C ASN A 28 96.255 12.447 7.631 1.00 0.00 C ATOM 400 O ASN A 28 97.414 12.172 7.870 1.00 0.00 O ATOM 401 CB ASN A 28 96.805 14.618 6.523 1.00 0.00 C ATOM 402 CG ASN A 28 98.162 14.251 5.931 1.00 0.00 C ATOM 403 OD1 ASN A 28 98.921 15.108 5.523 1.00 0.00 O ATOM 404 ND2 ASN A 28 98.494 12.997 5.871 1.00 0.00 N ATOM 0 H ASN A 28 93.827 13.319 5.950 1.00 0.00 H new ATOM 0 HA ASN A 28 96.025 12.881 5.531 1.00 0.00 H new ATOM 0 HB2 ASN A 28 96.358 15.436 5.958 1.00 0.00 H new ATOM 0 HB3 ASN A 28 96.925 14.967 7.549 1.00 0.00 H new ATOM 0 HD21 ASN A 28 99.396 12.726 5.480 1.00 0.00 H new ATOM 0 HD22 ASN A 28 97.852 12.283 6.215 1.00 0.00 H new ATOM 411 N ARG A 29 95.282 11.948 8.343 1.00 0.00 N ATOM 412 CA ARG A 29 95.577 11.031 9.465 1.00 0.00 C ATOM 413 C ARG A 29 95.470 9.596 8.992 1.00 0.00 C ATOM 414 O ARG A 29 95.175 9.316 7.846 1.00 0.00 O ATOM 415 CB ARG A 29 94.558 11.236 10.569 1.00 0.00 C ATOM 416 CG ARG A 29 94.714 12.635 11.151 1.00 0.00 C ATOM 417 CD ARG A 29 93.610 12.877 12.181 1.00 0.00 C ATOM 418 NE ARG A 29 93.988 12.235 13.471 1.00 0.00 N ATOM 419 CZ ARG A 29 93.108 12.125 14.429 1.00 0.00 C ATOM 420 NH1 ARG A 29 93.436 11.551 15.554 1.00 0.00 N ATOM 421 NH2 ARG A 29 91.901 12.592 14.262 1.00 0.00 N ATOM 0 H ARG A 29 94.292 12.141 8.190 1.00 0.00 H new ATOM 0 HA ARG A 29 96.583 11.236 9.831 1.00 0.00 H new ATOM 0 HB2 ARG A 29 93.550 11.104 10.177 1.00 0.00 H new ATOM 0 HB3 ARG A 29 94.697 10.488 11.350 1.00 0.00 H new ATOM 0 HG2 ARG A 29 95.693 12.740 11.618 1.00 0.00 H new ATOM 0 HG3 ARG A 29 94.657 13.380 10.358 1.00 0.00 H new ATOM 0 HD2 ARG A 29 93.460 13.947 12.325 1.00 0.00 H new ATOM 0 HD3 ARG A 29 92.666 12.468 11.821 1.00 0.00 H new ATOM 0 HE ARG A 29 94.935 11.881 13.606 1.00 0.00 H new ATOM 0 HH11 ARG A 29 94.380 11.188 15.685 1.00 0.00 H new ATOM 0 HH12 ARG A 29 92.748 11.465 16.302 1.00 0.00 H new ATOM 0 HH21 ARG A 29 91.646 13.043 13.383 1.00 0.00 H new ATOM 0 HH22 ARG A 29 91.213 12.506 15.010 1.00 0.00 H new ATOM 435 N ASP A 30 95.679 8.689 9.891 1.00 0.00 N ATOM 436 CA ASP A 30 95.572 7.244 9.566 1.00 0.00 C ATOM 437 C ASP A 30 94.813 6.555 10.682 1.00 0.00 C ATOM 438 O ASP A 30 95.270 6.478 11.805 1.00 0.00 O ATOM 439 CB ASP A 30 96.955 6.616 9.441 1.00 0.00 C ATOM 440 CG ASP A 30 97.668 7.162 8.202 1.00 0.00 C ATOM 441 OD1 ASP A 30 98.810 6.787 7.988 1.00 0.00 O ATOM 442 OD2 ASP A 30 97.063 7.945 7.490 1.00 0.00 O ATOM 0 H ASP A 30 95.925 8.889 10.860 1.00 0.00 H new ATOM 0 HA ASP A 30 95.051 7.128 8.616 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.543 6.831 10.333 1.00 0.00 H new ATOM 0 HB3 ASP A 30 96.866 5.532 9.371 1.00 0.00 H new ATOM 447 N VAL A 31 93.649 6.060 10.376 1.00 0.00 N ATOM 448 CA VAL A 31 92.820 5.371 11.409 1.00 0.00 C ATOM 449 C VAL A 31 92.692 3.894 11.056 1.00 0.00 C ATOM 450 O VAL A 31 92.851 3.500 9.917 1.00 0.00 O ATOM 451 CB VAL A 31 91.438 6.011 11.440 1.00 0.00 C ATOM 452 CG1 VAL A 31 90.655 5.460 12.630 1.00 0.00 C ATOM 453 CG2 VAL A 31 91.582 7.534 11.576 1.00 0.00 C ATOM 0 H VAL A 31 93.230 6.102 9.447 1.00 0.00 H new ATOM 0 HA VAL A 31 93.292 5.466 12.387 1.00 0.00 H new ATOM 0 HB VAL A 31 90.906 5.781 10.517 1.00 0.00 H new ATOM 0 HG11 VAL A 31 89.665 5.915 12.656 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.555 4.379 12.531 1.00 0.00 H new ATOM 0 HG13 VAL A 31 91.186 5.692 13.553 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.593 7.992 11.598 1.00 0.00 H new ATOM 0 HG22 VAL A 31 92.111 7.768 12.499 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.144 7.924 10.727 1.00 0.00 H new ATOM 463 N THR A 32 92.407 3.076 12.035 1.00 0.00 N ATOM 464 CA THR A 32 92.261 1.606 11.795 1.00 0.00 C ATOM 465 C THR A 32 90.925 1.146 12.393 1.00 0.00 C ATOM 466 O THR A 32 90.560 1.531 13.486 1.00 0.00 O ATOM 467 CB THR A 32 93.445 0.867 12.473 1.00 0.00 C ATOM 468 OG1 THR A 32 94.245 1.817 13.161 1.00 0.00 O ATOM 469 CG2 THR A 32 94.316 0.144 11.434 1.00 0.00 C ATOM 0 H THR A 32 92.267 3.366 13.003 1.00 0.00 H new ATOM 0 HA THR A 32 92.272 1.383 10.728 1.00 0.00 H new ATOM 0 HB THR A 32 93.042 0.126 13.163 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.996 1.360 13.595 1.00 0.00 H new ATOM 0 HG21 THR A 32 95.137 -0.365 11.939 1.00 0.00 H new ATOM 0 HG22 THR A 32 93.711 -0.587 10.898 1.00 0.00 H new ATOM 0 HG23 THR A 32 94.718 0.870 10.728 1.00 0.00 H new ATOM 477 N LEU A 33 90.196 0.335 11.669 1.00 0.00 N ATOM 478 CA LEU A 33 88.870 -0.154 12.152 1.00 0.00 C ATOM 479 C LEU A 33 88.922 -1.667 12.359 1.00 0.00 C ATOM 480 O LEU A 33 89.025 -2.424 11.422 1.00 0.00 O ATOM 481 CB LEU A 33 87.817 0.175 11.080 1.00 0.00 C ATOM 482 CG LEU A 33 87.233 1.587 11.273 1.00 0.00 C ATOM 483 CD1 LEU A 33 86.223 1.604 12.426 1.00 0.00 C ATOM 484 CD2 LEU A 33 88.352 2.595 11.558 1.00 0.00 C ATOM 0 H LEU A 33 90.468 -0.014 10.750 1.00 0.00 H new ATOM 0 HA LEU A 33 88.616 0.326 13.097 1.00 0.00 H new ATOM 0 HB2 LEU A 33 88.268 0.099 10.091 1.00 0.00 H new ATOM 0 HB3 LEU A 33 87.013 -0.560 11.121 1.00 0.00 H new ATOM 0 HG LEU A 33 86.723 1.868 10.352 1.00 0.00 H new ATOM 0 HD11 LEU A 33 85.823 2.611 12.545 1.00 0.00 H new ATOM 0 HD12 LEU A 33 85.409 0.914 12.206 1.00 0.00 H new ATOM 0 HD13 LEU A 33 86.718 1.299 13.348 1.00 0.00 H new ATOM 0 HD21 LEU A 33 87.922 3.588 11.692 1.00 0.00 H new ATOM 0 HD22 LEU A 33 88.882 2.304 12.465 1.00 0.00 H new ATOM 0 HD23 LEU A 33 89.049 2.611 10.720 1.00 0.00 H new ATOM 496 N ARG A 34 88.811 -2.098 13.580 1.00 0.00 N ATOM 497 CA ARG A 34 88.823 -3.556 13.876 1.00 0.00 C ATOM 498 C ARG A 34 87.650 -4.200 13.143 1.00 0.00 C ATOM 499 O ARG A 34 86.507 -4.039 13.521 1.00 0.00 O ATOM 500 CB ARG A 34 88.644 -3.759 15.384 1.00 0.00 C ATOM 501 CG ARG A 34 88.882 -5.233 15.749 1.00 0.00 C ATOM 502 CD ARG A 34 90.384 -5.536 15.823 1.00 0.00 C ATOM 503 NE ARG A 34 90.606 -6.771 16.632 1.00 0.00 N ATOM 504 CZ ARG A 34 90.670 -6.704 17.936 1.00 0.00 C ATOM 505 NH1 ARG A 34 90.865 -7.788 18.636 1.00 0.00 N ATOM 506 NH2 ARG A 34 90.538 -5.555 18.540 1.00 0.00 N ATOM 0 H ARG A 34 88.711 -1.496 14.397 1.00 0.00 H new ATOM 0 HA ARG A 34 89.764 -4.004 13.555 1.00 0.00 H new ATOM 0 HB2 ARG A 34 89.341 -3.124 15.930 1.00 0.00 H new ATOM 0 HB3 ARG A 34 87.639 -3.460 15.683 1.00 0.00 H new ATOM 0 HG2 ARG A 34 88.413 -5.456 16.707 1.00 0.00 H new ATOM 0 HG3 ARG A 34 88.412 -5.878 15.006 1.00 0.00 H new ATOM 0 HD2 ARG A 34 90.788 -5.669 14.820 1.00 0.00 H new ATOM 0 HD3 ARG A 34 90.913 -4.695 16.271 1.00 0.00 H new ATOM 0 HE ARG A 34 90.708 -7.672 16.165 1.00 0.00 H new ATOM 0 HH11 ARG A 34 90.967 -8.687 18.166 1.00 0.00 H new ATOM 0 HH12 ARG A 34 90.915 -7.736 19.653 1.00 0.00 H new ATOM 0 HH21 ARG A 34 90.385 -4.707 17.995 1.00 0.00 H new ATOM 0 HH22 ARG A 34 90.588 -5.505 19.558 1.00 0.00 H new ATOM 520 N VAL A 35 87.926 -4.907 12.079 1.00 0.00 N ATOM 521 CA VAL A 35 86.835 -5.547 11.284 1.00 0.00 C ATOM 522 C VAL A 35 87.191 -6.988 10.950 1.00 0.00 C ATOM 523 O VAL A 35 88.146 -7.547 11.453 1.00 0.00 O ATOM 524 CB VAL A 35 86.661 -4.787 9.973 1.00 0.00 C ATOM 525 CG1 VAL A 35 86.096 -3.397 10.259 1.00 0.00 C ATOM 526 CG2 VAL A 35 88.015 -4.655 9.270 1.00 0.00 C ATOM 0 H VAL A 35 88.868 -5.070 11.723 1.00 0.00 H new ATOM 0 HA VAL A 35 85.918 -5.525 11.874 1.00 0.00 H new ATOM 0 HB VAL A 35 85.972 -5.333 9.329 1.00 0.00 H new ATOM 0 HG11 VAL A 35 85.972 -2.855 9.322 1.00 0.00 H new ATOM 0 HG12 VAL A 35 85.129 -3.492 10.754 1.00 0.00 H new ATOM 0 HG13 VAL A 35 86.783 -2.851 10.906 1.00 0.00 H new ATOM 0 HG21 VAL A 35 87.887 -4.112 8.334 1.00 0.00 H new ATOM 0 HG22 VAL A 35 88.708 -4.112 9.913 1.00 0.00 H new ATOM 0 HG23 VAL A 35 88.415 -5.647 9.062 1.00 0.00 H new ATOM 536 N THR A 36 86.423 -7.584 10.079 1.00 0.00 N ATOM 537 CA THR A 36 86.684 -8.983 9.659 1.00 0.00 C ATOM 538 C THR A 36 86.417 -9.071 8.162 1.00 0.00 C ATOM 539 O THR A 36 85.932 -8.136 7.557 1.00 0.00 O ATOM 540 CB THR A 36 85.745 -9.933 10.403 1.00 0.00 C ATOM 541 OG1 THR A 36 84.420 -9.423 10.356 1.00 0.00 O ATOM 542 CG2 THR A 36 86.191 -10.066 11.857 1.00 0.00 C ATOM 0 H THR A 36 85.613 -7.150 9.636 1.00 0.00 H new ATOM 0 HA THR A 36 87.712 -9.264 9.886 1.00 0.00 H new ATOM 0 HB THR A 36 85.774 -10.914 9.928 1.00 0.00 H new ATOM 0 HG1 THR A 36 83.848 -9.941 10.960 1.00 0.00 H new ATOM 0 HG21 THR A 36 85.519 -10.744 12.383 1.00 0.00 H new ATOM 0 HG22 THR A 36 87.206 -10.462 11.891 1.00 0.00 H new ATOM 0 HG23 THR A 36 86.167 -9.087 12.336 1.00 0.00 H new ATOM 550 N GLY A 37 86.726 -10.172 7.549 1.00 0.00 N ATOM 551 CA GLY A 37 86.483 -10.287 6.089 1.00 0.00 C ATOM 552 C GLY A 37 85.015 -10.598 5.845 1.00 0.00 C ATOM 553 O GLY A 37 84.667 -11.463 5.066 1.00 0.00 O ATOM 0 H GLY A 37 87.135 -10.995 7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 37 86.757 -9.358 5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 37 87.108 -11.073 5.666 1.00 0.00 H new ATOM 557 N GLU A 38 84.150 -9.884 6.504 1.00 0.00 N ATOM 558 CA GLU A 38 82.694 -10.107 6.323 1.00 0.00 C ATOM 559 C GLU A 38 81.959 -8.787 6.547 1.00 0.00 C ATOM 560 O GLU A 38 80.746 -8.735 6.529 1.00 0.00 O ATOM 561 CB GLU A 38 82.200 -11.141 7.332 1.00 0.00 C ATOM 562 CG GLU A 38 82.703 -10.776 8.729 1.00 0.00 C ATOM 563 CD GLU A 38 81.887 -11.528 9.783 1.00 0.00 C ATOM 564 OE1 GLU A 38 82.011 -12.740 9.847 1.00 0.00 O ATOM 565 OE2 GLU A 38 81.151 -10.879 10.508 1.00 0.00 O ATOM 0 H GLU A 38 84.393 -9.148 7.167 1.00 0.00 H new ATOM 0 HA GLU A 38 82.503 -10.473 5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.111 -11.179 7.325 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.555 -12.133 7.054 1.00 0.00 H new ATOM 0 HG2 GLU A 38 83.759 -11.029 8.824 1.00 0.00 H new ATOM 0 HG3 GLU A 38 82.618 -9.701 8.888 1.00 0.00 H new ATOM 572 N VAL A 39 82.678 -7.709 6.760 1.00 0.00 N ATOM 573 CA VAL A 39 81.996 -6.406 6.982 1.00 0.00 C ATOM 574 C VAL A 39 81.723 -5.726 5.643 1.00 0.00 C ATOM 575 O VAL A 39 82.561 -5.693 4.768 1.00 0.00 O ATOM 576 CB VAL A 39 82.873 -5.507 7.859 1.00 0.00 C ATOM 577 CG1 VAL A 39 83.416 -6.337 9.020 1.00 0.00 C ATOM 578 CG2 VAL A 39 84.044 -4.922 7.047 1.00 0.00 C ATOM 0 H VAL A 39 83.697 -7.681 6.788 1.00 0.00 H new ATOM 0 HA VAL A 39 81.046 -6.580 7.488 1.00 0.00 H new ATOM 0 HB VAL A 39 82.273 -4.678 8.234 1.00 0.00 H new ATOM 0 HG11 VAL A 39 84.043 -5.710 9.654 1.00 0.00 H new ATOM 0 HG12 VAL A 39 82.585 -6.730 9.606 1.00 0.00 H new ATOM 0 HG13 VAL A 39 84.008 -7.165 8.630 1.00 0.00 H new ATOM 0 HG21 VAL A 39 84.652 -4.287 7.691 1.00 0.00 H new ATOM 0 HG22 VAL A 39 84.656 -5.734 6.655 1.00 0.00 H new ATOM 0 HG23 VAL A 39 83.653 -4.330 6.219 1.00 0.00 H new ATOM 588 N HIS A 40 80.567 -5.165 5.482 1.00 0.00 N ATOM 589 CA HIS A 40 80.260 -4.471 4.202 1.00 0.00 C ATOM 590 C HIS A 40 80.911 -3.084 4.228 1.00 0.00 C ATOM 591 O HIS A 40 81.040 -2.472 5.269 1.00 0.00 O ATOM 592 CB HIS A 40 78.738 -4.342 4.038 1.00 0.00 C ATOM 593 CG HIS A 40 78.065 -5.549 4.631 1.00 0.00 C ATOM 594 ND1 HIS A 40 77.477 -5.526 5.886 1.00 0.00 N ATOM 595 CD2 HIS A 40 77.874 -6.822 4.152 1.00 0.00 C ATOM 596 CE1 HIS A 40 76.964 -6.748 6.117 1.00 0.00 C ATOM 597 NE2 HIS A 40 77.178 -7.577 5.092 1.00 0.00 N ATOM 0 H HIS A 40 79.820 -5.154 6.176 1.00 0.00 H new ATOM 0 HA HIS A 40 80.653 -5.042 3.361 1.00 0.00 H new ATOM 0 HB2 HIS A 40 78.384 -3.436 4.531 1.00 0.00 H new ATOM 0 HB3 HIS A 40 78.482 -4.252 2.982 1.00 0.00 H new ATOM 0 HD2 HIS A 40 78.212 -7.183 3.192 1.00 0.00 H new ATOM 0 HE1 HIS A 40 76.443 -7.025 7.021 1.00 0.00 H new ATOM 0 HE2 HIS A 40 76.893 -8.553 5.015 1.00 0.00 H new ATOM 605 N ILE A 41 81.327 -2.585 3.096 1.00 0.00 N ATOM 606 CA ILE A 41 81.970 -1.238 3.066 1.00 0.00 C ATOM 607 C ILE A 41 81.112 -0.251 3.846 1.00 0.00 C ATOM 608 O ILE A 41 81.579 0.438 4.731 1.00 0.00 O ATOM 609 CB ILE A 41 82.063 -0.749 1.629 1.00 0.00 C ATOM 610 CG1 ILE A 41 82.888 -1.733 0.794 1.00 0.00 C ATOM 611 CG2 ILE A 41 82.726 0.627 1.602 1.00 0.00 C ATOM 612 CD1 ILE A 41 82.610 -1.493 -0.692 1.00 0.00 C ATOM 0 H ILE A 41 81.250 -3.050 2.191 1.00 0.00 H new ATOM 0 HA ILE A 41 82.965 -1.310 3.506 1.00 0.00 H new ATOM 0 HB ILE A 41 81.060 -0.679 1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 41 83.950 -1.603 1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 41 82.633 -2.758 1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 41 82.793 0.978 0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 41 82.132 1.329 2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 41 83.727 0.557 2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 41 83.196 -2.192 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 41 81.549 -1.644 -0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 41 82.887 -0.472 -0.954 1.00 0.00 H new ATOM 624 N GLY A 42 79.854 -0.181 3.518 1.00 0.00 N ATOM 625 CA GLY A 42 78.952 0.757 4.231 1.00 0.00 C ATOM 626 C GLY A 42 79.071 0.486 5.720 1.00 0.00 C ATOM 627 O GLY A 42 78.672 1.277 6.553 1.00 0.00 O ATOM 0 H GLY A 42 79.412 -0.735 2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 42 79.224 1.789 4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 42 77.922 0.620 3.900 1.00 0.00 H new ATOM 631 N GLY A 43 79.637 -0.635 6.050 1.00 0.00 N ATOM 632 CA GLY A 43 79.815 -0.995 7.476 1.00 0.00 C ATOM 633 C GLY A 43 81.054 -0.288 8.018 1.00 0.00 C ATOM 634 O GLY A 43 81.148 0.007 9.187 1.00 0.00 O ATOM 0 H GLY A 43 79.987 -1.324 5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 43 78.935 -0.705 8.050 1.00 0.00 H new ATOM 0 HA3 GLY A 43 79.922 -2.075 7.581 1.00 0.00 H new ATOM 638 N VAL A 44 82.007 -0.014 7.172 1.00 0.00 N ATOM 639 CA VAL A 44 83.250 0.674 7.632 1.00 0.00 C ATOM 640 C VAL A 44 82.986 2.182 7.753 1.00 0.00 C ATOM 641 O VAL A 44 83.201 2.765 8.798 1.00 0.00 O ATOM 642 CB VAL A 44 84.381 0.389 6.611 1.00 0.00 C ATOM 643 CG1 VAL A 44 85.390 1.547 6.558 1.00 0.00 C ATOM 644 CG2 VAL A 44 85.124 -0.888 7.011 1.00 0.00 C ATOM 0 H VAL A 44 81.980 -0.237 6.177 1.00 0.00 H new ATOM 0 HA VAL A 44 83.553 0.302 8.611 1.00 0.00 H new ATOM 0 HB VAL A 44 83.923 0.275 5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 44 86.171 1.317 5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 44 84.878 2.462 6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 44 85.838 1.684 7.542 1.00 0.00 H new ATOM 0 HG21 VAL A 44 85.919 -1.087 6.292 1.00 0.00 H new ATOM 0 HG22 VAL A 44 85.556 -0.762 8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 44 84.427 -1.726 7.022 1.00 0.00 H new ATOM 654 N MET A 45 82.527 2.827 6.709 1.00 0.00 N ATOM 655 CA MET A 45 82.271 4.291 6.819 1.00 0.00 C ATOM 656 C MET A 45 81.433 4.554 8.073 1.00 0.00 C ATOM 657 O MET A 45 81.632 5.530 8.769 1.00 0.00 O ATOM 658 CB MET A 45 81.541 4.814 5.563 1.00 0.00 C ATOM 659 CG MET A 45 80.531 3.772 5.010 1.00 0.00 C ATOM 660 SD MET A 45 78.866 4.515 4.940 1.00 0.00 S ATOM 661 CE MET A 45 78.387 4.096 3.238 1.00 0.00 C ATOM 0 H MET A 45 82.322 2.410 5.801 1.00 0.00 H new ATOM 0 HA MET A 45 83.221 4.820 6.895 1.00 0.00 H new ATOM 0 HB2 MET A 45 81.015 5.737 5.806 1.00 0.00 H new ATOM 0 HB3 MET A 45 82.272 5.057 4.792 1.00 0.00 H new ATOM 0 HG2 MET A 45 80.837 3.445 4.016 1.00 0.00 H new ATOM 0 HG3 MET A 45 80.520 2.887 5.647 1.00 0.00 H new ATOM 0 HE1 MET A 45 77.941 4.968 2.760 1.00 0.00 H new ATOM 0 HE2 MET A 45 79.269 3.787 2.677 1.00 0.00 H new ATOM 0 HE3 MET A 45 77.663 3.281 3.254 1.00 0.00 H new ATOM 671 N LEU A 46 80.512 3.682 8.379 1.00 0.00 N ATOM 672 CA LEU A 46 79.686 3.885 9.604 1.00 0.00 C ATOM 673 C LEU A 46 80.606 3.980 10.830 1.00 0.00 C ATOM 674 O LEU A 46 80.688 5.000 11.482 1.00 0.00 O ATOM 675 CB LEU A 46 78.739 2.691 9.797 1.00 0.00 C ATOM 676 CG LEU A 46 77.724 2.998 10.929 1.00 0.00 C ATOM 677 CD1 LEU A 46 76.467 3.646 10.345 1.00 0.00 C ATOM 678 CD2 LEU A 46 77.323 1.703 11.644 1.00 0.00 C ATOM 0 H LEU A 46 80.296 2.844 7.839 1.00 0.00 H new ATOM 0 HA LEU A 46 79.108 4.803 9.494 1.00 0.00 H new ATOM 0 HB2 LEU A 46 78.208 2.483 8.868 1.00 0.00 H new ATOM 0 HB3 LEU A 46 79.312 1.797 10.044 1.00 0.00 H new ATOM 0 HG LEU A 46 78.195 3.679 11.638 1.00 0.00 H new ATOM 0 HD11 LEU A 46 75.760 3.858 11.148 1.00 0.00 H new ATOM 0 HD12 LEU A 46 76.736 4.576 9.844 1.00 0.00 H new ATOM 0 HD13 LEU A 46 76.008 2.967 9.627 1.00 0.00 H new ATOM 0 HD21 LEU A 46 76.610 1.931 12.437 1.00 0.00 H new ATOM 0 HD22 LEU A 46 76.865 1.020 10.929 1.00 0.00 H new ATOM 0 HD23 LEU A 46 78.209 1.236 12.075 1.00 0.00 H new ATOM 690 N LYS A 47 81.283 2.908 11.153 1.00 0.00 N ATOM 691 CA LYS A 47 82.182 2.901 12.349 1.00 0.00 C ATOM 692 C LYS A 47 83.150 4.087 12.331 1.00 0.00 C ATOM 693 O LYS A 47 83.182 4.884 13.247 1.00 0.00 O ATOM 694 CB LYS A 47 83.003 1.613 12.356 1.00 0.00 C ATOM 695 CG LYS A 47 82.074 0.405 12.324 1.00 0.00 C ATOM 696 CD LYS A 47 82.903 -0.877 12.433 1.00 0.00 C ATOM 697 CE LYS A 47 82.032 -2.088 12.090 1.00 0.00 C ATOM 698 NZ LYS A 47 81.008 -2.283 13.156 1.00 0.00 N ATOM 0 H LYS A 47 81.252 2.029 10.636 1.00 0.00 H new ATOM 0 HA LYS A 47 81.555 2.971 13.238 1.00 0.00 H new ATOM 0 HB2 LYS A 47 83.670 1.592 11.494 1.00 0.00 H new ATOM 0 HB3 LYS A 47 83.631 1.576 13.246 1.00 0.00 H new ATOM 0 HG2 LYS A 47 81.359 0.460 13.145 1.00 0.00 H new ATOM 0 HG3 LYS A 47 81.497 0.401 11.399 1.00 0.00 H new ATOM 0 HD2 LYS A 47 83.756 -0.828 11.757 1.00 0.00 H new ATOM 0 HD3 LYS A 47 83.302 -0.978 13.442 1.00 0.00 H new ATOM 0 HE2 LYS A 47 81.545 -1.938 11.126 1.00 0.00 H new ATOM 0 HE3 LYS A 47 82.651 -2.980 11.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 80.472 -3.154 12.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 81.479 -2.360 14.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 80.358 -1.471 13.166 1.00 0.00 H new ATOM 712 N LEU A 48 83.963 4.193 11.318 1.00 0.00 N ATOM 713 CA LEU A 48 84.954 5.311 11.270 1.00 0.00 C ATOM 714 C LEU A 48 84.268 6.631 11.645 1.00 0.00 C ATOM 715 O LEU A 48 84.774 7.395 12.442 1.00 0.00 O ATOM 716 CB LEU A 48 85.562 5.383 9.856 1.00 0.00 C ATOM 717 CG LEU A 48 86.600 6.525 9.726 1.00 0.00 C ATOM 718 CD1 LEU A 48 87.906 6.154 10.438 1.00 0.00 C ATOM 719 CD2 LEU A 48 86.900 6.774 8.230 1.00 0.00 C ATOM 0 H LEU A 48 83.987 3.557 10.521 1.00 0.00 H new ATOM 0 HA LEU A 48 85.755 5.133 11.988 1.00 0.00 H new ATOM 0 HB2 LEU A 48 86.038 4.432 9.618 1.00 0.00 H new ATOM 0 HB3 LEU A 48 84.766 5.532 9.127 1.00 0.00 H new ATOM 0 HG LEU A 48 86.188 7.423 10.186 1.00 0.00 H new ATOM 0 HD11 LEU A 48 88.621 6.970 10.334 1.00 0.00 H new ATOM 0 HD12 LEU A 48 87.707 5.978 11.495 1.00 0.00 H new ATOM 0 HD13 LEU A 48 88.320 5.250 9.991 1.00 0.00 H new ATOM 0 HD21 LEU A 48 87.630 7.577 8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 48 87.301 5.864 7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 48 85.981 7.056 7.717 1.00 0.00 H new ATOM 731 N VAL A 49 83.119 6.899 11.095 1.00 0.00 N ATOM 732 CA VAL A 49 82.408 8.164 11.445 1.00 0.00 C ATOM 733 C VAL A 49 81.964 8.093 12.914 1.00 0.00 C ATOM 734 O VAL A 49 82.169 9.017 13.677 1.00 0.00 O ATOM 735 CB VAL A 49 81.176 8.337 10.536 1.00 0.00 C ATOM 736 CG1 VAL A 49 80.185 9.328 11.160 1.00 0.00 C ATOM 737 CG2 VAL A 49 81.611 8.869 9.163 1.00 0.00 C ATOM 0 H VAL A 49 82.641 6.302 10.421 1.00 0.00 H new ATOM 0 HA VAL A 49 83.074 9.015 11.302 1.00 0.00 H new ATOM 0 HB VAL A 49 80.694 7.366 10.423 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.321 9.439 10.505 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.859 8.954 12.131 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.670 10.296 11.288 1.00 0.00 H new ATOM 0 HG21 VAL A 49 80.735 8.989 8.525 1.00 0.00 H new ATOM 0 HG22 VAL A 49 82.105 9.833 9.286 1.00 0.00 H new ATOM 0 HG23 VAL A 49 82.302 8.163 8.702 1.00 0.00 H new ATOM 747 N GLU A 50 81.348 7.007 13.309 1.00 0.00 N ATOM 748 CA GLU A 50 80.880 6.878 14.724 1.00 0.00 C ATOM 749 C GLU A 50 81.980 7.345 15.674 1.00 0.00 C ATOM 750 O GLU A 50 81.725 8.012 16.657 1.00 0.00 O ATOM 751 CB GLU A 50 80.543 5.414 15.026 1.00 0.00 C ATOM 752 CG GLU A 50 79.233 5.030 14.336 1.00 0.00 C ATOM 753 CD GLU A 50 78.071 5.741 15.024 1.00 0.00 C ATOM 754 OE1 GLU A 50 77.518 6.646 14.422 1.00 0.00 O ATOM 755 OE2 GLU A 50 77.758 5.371 16.144 1.00 0.00 O ATOM 0 H GLU A 50 81.149 6.204 12.713 1.00 0.00 H new ATOM 0 HA GLU A 50 79.991 7.494 14.862 1.00 0.00 H new ATOM 0 HB2 GLU A 50 81.350 4.767 14.681 1.00 0.00 H new ATOM 0 HB3 GLU A 50 80.454 5.266 16.102 1.00 0.00 H new ATOM 0 HG2 GLU A 50 79.270 5.306 13.282 1.00 0.00 H new ATOM 0 HG3 GLU A 50 79.090 3.950 14.378 1.00 0.00 H new ATOM 762 N LYS A 51 83.202 7.007 15.384 1.00 0.00 N ATOM 763 CA LYS A 51 84.316 7.438 16.265 1.00 0.00 C ATOM 764 C LYS A 51 84.450 8.956 16.182 1.00 0.00 C ATOM 765 O LYS A 51 84.819 9.616 17.133 1.00 0.00 O ATOM 766 CB LYS A 51 85.606 6.774 15.793 1.00 0.00 C ATOM 767 CG LYS A 51 85.464 5.255 15.909 1.00 0.00 C ATOM 768 CD LYS A 51 86.668 4.573 15.254 1.00 0.00 C ATOM 769 CE LYS A 51 86.774 3.128 15.747 1.00 0.00 C ATOM 770 NZ LYS A 51 88.015 2.506 15.204 1.00 0.00 N ATOM 0 H LYS A 51 83.477 6.451 14.575 1.00 0.00 H new ATOM 0 HA LYS A 51 84.119 7.148 17.297 1.00 0.00 H new ATOM 0 HB2 LYS A 51 85.816 7.053 14.761 1.00 0.00 H new ATOM 0 HB3 LYS A 51 86.447 7.119 16.394 1.00 0.00 H new ATOM 0 HG2 LYS A 51 85.396 4.965 16.958 1.00 0.00 H new ATOM 0 HG3 LYS A 51 84.542 4.928 15.427 1.00 0.00 H new ATOM 0 HD2 LYS A 51 86.562 4.590 14.169 1.00 0.00 H new ATOM 0 HD3 LYS A 51 87.581 5.117 15.494 1.00 0.00 H new ATOM 0 HE2 LYS A 51 86.790 3.105 16.837 1.00 0.00 H new ATOM 0 HE3 LYS A 51 85.900 2.559 15.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 87.867 1.484 15.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 88.244 2.934 14.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 88.802 2.666 15.865 1.00 0.00 H new ATOM 784 N LEU A 52 84.142 9.511 15.045 1.00 0.00 N ATOM 785 CA LEU A 52 84.231 10.978 14.868 1.00 0.00 C ATOM 786 C LEU A 52 83.160 11.648 15.735 1.00 0.00 C ATOM 787 O LEU A 52 83.455 12.337 16.690 1.00 0.00 O ATOM 788 CB LEU A 52 83.996 11.277 13.375 1.00 0.00 C ATOM 789 CG LEU A 52 84.879 12.439 12.903 1.00 0.00 C ATOM 790 CD1 LEU A 52 86.341 11.984 12.751 1.00 0.00 C ATOM 791 CD2 LEU A 52 84.358 12.938 11.554 1.00 0.00 C ATOM 0 H LEU A 52 83.828 8.999 14.221 1.00 0.00 H new ATOM 0 HA LEU A 52 85.205 11.362 15.171 1.00 0.00 H new ATOM 0 HB2 LEU A 52 84.212 10.387 12.784 1.00 0.00 H new ATOM 0 HB3 LEU A 52 82.947 11.522 13.210 1.00 0.00 H new ATOM 0 HG LEU A 52 84.842 13.239 13.643 1.00 0.00 H new ATOM 0 HD11 LEU A 52 86.950 12.823 12.415 1.00 0.00 H new ATOM 0 HD12 LEU A 52 86.713 11.627 13.711 1.00 0.00 H new ATOM 0 HD13 LEU A 52 86.397 11.179 12.018 1.00 0.00 H new ATOM 0 HD21 LEU A 52 84.978 13.765 11.208 1.00 0.00 H new ATOM 0 HD22 LEU A 52 84.396 12.127 10.827 1.00 0.00 H new ATOM 0 HD23 LEU A 52 83.328 13.278 11.665 1.00 0.00 H new ATOM 803 N ASP A 53 81.922 11.430 15.400 1.00 0.00 N ATOM 804 CA ASP A 53 80.799 12.016 16.179 1.00 0.00 C ATOM 805 C ASP A 53 80.830 13.531 16.078 1.00 0.00 C ATOM 806 O ASP A 53 81.233 14.224 16.990 1.00 0.00 O ATOM 807 CB ASP A 53 80.928 11.581 17.630 1.00 0.00 C ATOM 808 CG ASP A 53 79.571 11.685 18.335 1.00 0.00 C ATOM 809 OD1 ASP A 53 78.700 10.889 18.022 1.00 0.00 O ATOM 810 OD2 ASP A 53 79.425 12.560 19.172 1.00 0.00 O ATOM 0 H ASP A 53 81.635 10.860 14.604 1.00 0.00 H new ATOM 0 HA ASP A 53 79.849 11.665 15.777 1.00 0.00 H new ATOM 0 HB2 ASP A 53 81.294 10.555 17.679 1.00 0.00 H new ATOM 0 HB3 ASP A 53 81.661 12.206 18.141 1.00 0.00 H new ATOM 815 N VAL A 54 80.414 14.039 14.964 1.00 0.00 N ATOM 816 CA VAL A 54 80.421 15.509 14.766 1.00 0.00 C ATOM 817 C VAL A 54 79.726 15.858 13.447 1.00 0.00 C ATOM 818 O VAL A 54 79.715 15.077 12.517 1.00 0.00 O ATOM 819 CB VAL A 54 81.877 15.959 14.729 1.00 0.00 C ATOM 820 CG1 VAL A 54 82.645 15.054 13.769 1.00 0.00 C ATOM 821 CG2 VAL A 54 81.970 17.419 14.271 1.00 0.00 C ATOM 0 H VAL A 54 80.066 13.497 14.173 1.00 0.00 H new ATOM 0 HA VAL A 54 79.888 16.011 15.573 1.00 0.00 H new ATOM 0 HB VAL A 54 82.309 15.888 15.727 1.00 0.00 H new ATOM 0 HG11 VAL A 54 83.689 15.365 13.733 1.00 0.00 H new ATOM 0 HG12 VAL A 54 82.585 14.022 14.115 1.00 0.00 H new ATOM 0 HG13 VAL A 54 82.210 15.128 12.772 1.00 0.00 H new ATOM 0 HG21 VAL A 54 83.015 17.728 14.249 1.00 0.00 H new ATOM 0 HG22 VAL A 54 81.542 17.515 13.273 1.00 0.00 H new ATOM 0 HG23 VAL A 54 81.419 18.054 14.965 1.00 0.00 H new ATOM 831 N LYS A 55 79.157 17.031 13.354 1.00 0.00 N ATOM 832 CA LYS A 55 78.480 17.432 12.087 1.00 0.00 C ATOM 833 C LYS A 55 79.561 17.680 11.024 1.00 0.00 C ATOM 834 O LYS A 55 79.460 18.577 10.210 1.00 0.00 O ATOM 835 CB LYS A 55 77.656 18.721 12.323 1.00 0.00 C ATOM 836 CG LYS A 55 76.211 18.391 12.783 1.00 0.00 C ATOM 837 CD LYS A 55 75.257 19.498 12.330 1.00 0.00 C ATOM 838 CE LYS A 55 73.828 19.126 12.720 1.00 0.00 C ATOM 839 NZ LYS A 55 73.660 19.273 14.193 1.00 0.00 N ATOM 0 H LYS A 55 79.132 17.727 14.099 1.00 0.00 H new ATOM 0 HA LYS A 55 77.803 16.647 11.751 1.00 0.00 H new ATOM 0 HB2 LYS A 55 78.148 19.337 13.076 1.00 0.00 H new ATOM 0 HB3 LYS A 55 77.623 19.307 11.404 1.00 0.00 H new ATOM 0 HG2 LYS A 55 75.896 17.434 12.366 1.00 0.00 H new ATOM 0 HG3 LYS A 55 76.179 18.292 13.868 1.00 0.00 H new ATOM 0 HD2 LYS A 55 75.537 20.445 12.791 1.00 0.00 H new ATOM 0 HD3 LYS A 55 75.327 19.635 11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 55 73.118 19.767 12.197 1.00 0.00 H new ATOM 0 HE3 LYS A 55 73.613 18.101 12.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 72.653 19.186 14.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 74.200 18.530 14.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 74.009 20.206 14.491 1.00 0.00 H new ATOM 853 N LYS A 56 80.597 16.888 11.028 1.00 0.00 N ATOM 854 CA LYS A 56 81.682 17.076 10.026 1.00 0.00 C ATOM 855 C LYS A 56 81.233 16.496 8.681 1.00 0.00 C ATOM 856 O LYS A 56 80.135 15.994 8.548 1.00 0.00 O ATOM 857 CB LYS A 56 82.948 16.357 10.514 1.00 0.00 C ATOM 858 CG LYS A 56 84.166 16.710 9.620 1.00 0.00 C ATOM 859 CD LYS A 56 85.436 16.821 10.481 1.00 0.00 C ATOM 860 CE LYS A 56 86.661 17.006 9.581 1.00 0.00 C ATOM 861 NZ LYS A 56 86.326 17.942 8.472 1.00 0.00 N ATOM 0 H LYS A 56 80.739 16.118 11.682 1.00 0.00 H new ATOM 0 HA LYS A 56 81.897 18.137 9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 56 83.156 16.639 11.546 1.00 0.00 H new ATOM 0 HB3 LYS A 56 82.785 15.279 10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 56 84.301 15.945 8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 56 83.986 17.651 9.100 1.00 0.00 H new ATOM 0 HD2 LYS A 56 85.348 17.663 11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 56 85.553 15.924 11.089 1.00 0.00 H new ATOM 0 HE2 LYS A 56 87.496 17.397 10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 56 86.977 16.044 9.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 87.199 18.371 8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 85.849 17.420 7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 85.696 18.690 8.827 1.00 0.00 H new ATOM 875 N ASP A 57 82.067 16.576 7.682 1.00 0.00 N ATOM 876 CA ASP A 57 81.684 16.048 6.341 1.00 0.00 C ATOM 877 C ASP A 57 81.381 14.544 6.429 1.00 0.00 C ATOM 878 O ASP A 57 82.259 13.715 6.299 1.00 0.00 O ATOM 879 CB ASP A 57 82.835 16.299 5.351 1.00 0.00 C ATOM 880 CG ASP A 57 83.579 17.579 5.740 1.00 0.00 C ATOM 881 OD1 ASP A 57 84.738 17.700 5.378 1.00 0.00 O ATOM 882 OD2 ASP A 57 82.978 18.415 6.395 1.00 0.00 O ATOM 0 H ASP A 57 83.000 16.985 7.736 1.00 0.00 H new ATOM 0 HA ASP A 57 80.787 16.561 5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 57 83.522 15.452 5.354 1.00 0.00 H new ATOM 0 HB3 ASP A 57 82.443 16.388 4.338 1.00 0.00 H new ATOM 887 N TRP A 58 80.139 14.190 6.644 1.00 0.00 N ATOM 888 CA TRP A 58 79.763 12.751 6.736 1.00 0.00 C ATOM 889 C TRP A 58 79.369 12.234 5.345 1.00 0.00 C ATOM 890 O TRP A 58 79.639 11.104 4.997 1.00 0.00 O ATOM 891 CB TRP A 58 78.572 12.611 7.691 1.00 0.00 C ATOM 892 CG TRP A 58 79.043 12.619 9.108 1.00 0.00 C ATOM 893 CD1 TRP A 58 80.184 13.197 9.551 1.00 0.00 C ATOM 894 CD2 TRP A 58 78.403 12.026 10.270 1.00 0.00 C ATOM 895 NE1 TRP A 58 80.285 12.994 10.916 1.00 0.00 N ATOM 896 CE2 TRP A 58 79.207 12.275 11.405 1.00 0.00 C ATOM 897 CE3 TRP A 58 77.209 11.302 10.446 1.00 0.00 C ATOM 898 CZ2 TRP A 58 78.841 11.817 12.670 1.00 0.00 C ATOM 899 CZ3 TRP A 58 76.838 10.841 11.718 1.00 0.00 C ATOM 900 CH2 TRP A 58 77.653 11.099 12.828 1.00 0.00 C ATOM 0 H TRP A 58 79.365 14.844 6.760 1.00 0.00 H new ATOM 0 HA TRP A 58 80.607 12.170 7.108 1.00 0.00 H new ATOM 0 HB2 TRP A 58 77.869 13.428 7.529 1.00 0.00 H new ATOM 0 HB3 TRP A 58 78.037 11.684 7.483 1.00 0.00 H new ATOM 0 HD1 TRP A 58 80.898 13.729 8.940 1.00 0.00 H new ATOM 0 HE1 TRP A 58 81.057 13.332 11.491 1.00 0.00 H new ATOM 0 HE3 TRP A 58 76.574 11.100 9.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 79.472 12.016 13.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 75.920 10.285 11.842 1.00 0.00 H new ATOM 0 HH2 TRP A 58 77.363 10.743 13.806 1.00 0.00 H new ATOM 911 N SER A 59 78.733 13.049 4.547 1.00 0.00 N ATOM 912 CA SER A 59 78.330 12.593 3.180 1.00 0.00 C ATOM 913 C SER A 59 79.574 12.535 2.292 1.00 0.00 C ATOM 914 O SER A 59 79.708 11.687 1.432 1.00 0.00 O ATOM 915 CB SER A 59 77.320 13.579 2.585 1.00 0.00 C ATOM 916 OG SER A 59 76.572 12.927 1.567 1.00 0.00 O ATOM 0 H SER A 59 78.475 14.008 4.779 1.00 0.00 H new ATOM 0 HA SER A 59 77.871 11.606 3.240 1.00 0.00 H new ATOM 0 HB2 SER A 59 76.652 13.948 3.364 1.00 0.00 H new ATOM 0 HB3 SER A 59 77.839 14.445 2.173 1.00 0.00 H new ATOM 0 HG SER A 59 76.268 12.054 1.892 1.00 0.00 H new ATOM 922 N ASP A 60 80.485 13.435 2.515 1.00 0.00 N ATOM 923 CA ASP A 60 81.746 13.472 1.721 1.00 0.00 C ATOM 924 C ASP A 60 82.631 12.288 2.137 1.00 0.00 C ATOM 925 O ASP A 60 83.831 12.293 1.953 1.00 0.00 O ATOM 926 CB ASP A 60 82.456 14.782 2.059 1.00 0.00 C ATOM 927 CG ASP A 60 83.388 15.205 0.923 1.00 0.00 C ATOM 928 OD1 ASP A 60 84.577 15.309 1.171 1.00 0.00 O ATOM 929 OD2 ASP A 60 82.894 15.433 -0.169 1.00 0.00 O ATOM 0 H ASP A 60 80.410 14.162 3.227 1.00 0.00 H new ATOM 0 HA ASP A 60 81.543 13.408 0.652 1.00 0.00 H new ATOM 0 HB2 ASP A 60 81.719 15.564 2.240 1.00 0.00 H new ATOM 0 HB3 ASP A 60 83.028 14.664 2.979 1.00 0.00 H new ATOM 934 N HIS A 61 82.036 11.304 2.744 1.00 0.00 N ATOM 935 CA HIS A 61 82.798 10.117 3.246 1.00 0.00 C ATOM 936 C HIS A 61 82.576 8.886 2.369 1.00 0.00 C ATOM 937 O HIS A 61 81.463 8.502 2.067 1.00 0.00 O ATOM 938 CB HIS A 61 82.318 9.814 4.666 1.00 0.00 C ATOM 939 CG HIS A 61 83.129 8.707 5.275 1.00 0.00 C ATOM 940 ND1 HIS A 61 83.423 7.538 4.593 1.00 0.00 N ATOM 941 CD2 HIS A 61 83.683 8.565 6.520 1.00 0.00 C ATOM 942 CE1 HIS A 61 84.121 6.750 5.431 1.00 0.00 C ATOM 943 NE2 HIS A 61 84.306 7.328 6.616 1.00 0.00 N ATOM 0 H HIS A 61 81.032 11.266 2.920 1.00 0.00 H new ATOM 0 HA HIS A 61 83.863 10.349 3.225 1.00 0.00 H new ATOM 0 HB2 HIS A 61 82.397 10.710 5.281 1.00 0.00 H new ATOM 0 HB3 HIS A 61 81.265 9.532 4.647 1.00 0.00 H new ATOM 0 HD2 HIS A 61 83.641 9.303 7.307 1.00 0.00 H new ATOM 0 HE1 HIS A 61 84.487 5.767 5.173 1.00 0.00 H new ATOM 0 HE2 HIS A 61 84.800 6.944 7.422 1.00 0.00 H new ATOM 951 N ALA A 62 83.652 8.258 1.987 1.00 0.00 N ATOM 952 CA ALA A 62 83.576 7.030 1.155 1.00 0.00 C ATOM 953 C ALA A 62 84.980 6.416 1.101 1.00 0.00 C ATOM 954 O ALA A 62 85.964 7.127 1.109 1.00 0.00 O ATOM 955 CB ALA A 62 83.085 7.394 -0.247 1.00 0.00 C ATOM 0 H ALA A 62 84.600 8.552 2.223 1.00 0.00 H new ATOM 0 HA ALA A 62 82.876 6.310 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 62 83.029 6.493 -0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 62 82.097 7.849 -0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 62 83.779 8.100 -0.704 1.00 0.00 H new ATOM 961 N LEU A 63 85.096 5.111 1.070 1.00 0.00 N ATOM 962 CA LEU A 63 86.457 4.491 1.045 1.00 0.00 C ATOM 963 C LEU A 63 86.878 4.192 -0.391 1.00 0.00 C ATOM 964 O LEU A 63 86.083 3.807 -1.225 1.00 0.00 O ATOM 965 CB LEU A 63 86.462 3.184 1.848 1.00 0.00 C ATOM 966 CG LEU A 63 85.893 3.401 3.259 1.00 0.00 C ATOM 967 CD1 LEU A 63 86.587 4.596 3.927 1.00 0.00 C ATOM 968 CD2 LEU A 63 84.364 3.633 3.212 1.00 0.00 C ATOM 0 H LEU A 63 84.316 4.454 1.061 1.00 0.00 H new ATOM 0 HA LEU A 63 87.159 5.196 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 63 85.872 2.430 1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 63 87.480 2.800 1.918 1.00 0.00 H new ATOM 0 HG LEU A 63 86.082 2.502 3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 63 86.177 4.742 4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 63 87.657 4.402 3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 63 86.420 5.493 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 63 83.988 3.784 4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 63 84.148 4.515 2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 63 83.878 2.764 2.770 1.00 0.00 H new ATOM 980 N TRP A 64 88.141 4.373 -0.673 1.00 0.00 N ATOM 981 CA TRP A 64 88.681 4.114 -2.049 1.00 0.00 C ATOM 982 C TRP A 64 89.890 3.176 -1.910 1.00 0.00 C ATOM 983 O TRP A 64 90.563 3.173 -0.898 1.00 0.00 O ATOM 984 CB TRP A 64 89.036 5.494 -2.689 1.00 0.00 C ATOM 985 CG TRP A 64 90.500 5.666 -3.001 1.00 0.00 C ATOM 986 CD1 TRP A 64 91.527 5.509 -2.130 1.00 0.00 C ATOM 987 CD2 TRP A 64 91.102 6.084 -4.262 1.00 0.00 C ATOM 988 NE1 TRP A 64 92.717 5.760 -2.790 1.00 0.00 N ATOM 989 CE2 TRP A 64 92.507 6.127 -4.103 1.00 0.00 C ATOM 990 CE3 TRP A 64 90.568 6.413 -5.522 1.00 0.00 C ATOM 991 CZ2 TRP A 64 93.353 6.488 -5.153 1.00 0.00 C ATOM 992 CZ3 TRP A 64 91.416 6.781 -6.580 1.00 0.00 C ATOM 993 CH2 TRP A 64 92.806 6.819 -6.396 1.00 0.00 C ATOM 0 H TRP A 64 88.836 4.695 0.001 1.00 0.00 H new ATOM 0 HA TRP A 64 87.962 3.624 -2.706 1.00 0.00 H new ATOM 0 HB2 TRP A 64 88.462 5.615 -3.608 1.00 0.00 H new ATOM 0 HB3 TRP A 64 88.724 6.288 -2.011 1.00 0.00 H new ATOM 0 HD1 TRP A 64 91.432 5.233 -1.090 1.00 0.00 H new ATOM 0 HE1 TRP A 64 93.638 5.683 -2.358 1.00 0.00 H new ATOM 0 HE3 TRP A 64 89.500 6.382 -5.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 94.423 6.511 -5.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 90.995 7.036 -7.541 1.00 0.00 H new ATOM 0 HH2 TRP A 64 93.452 7.103 -7.213 1.00 0.00 H new ATOM 1004 N TRP A 65 90.153 2.355 -2.900 1.00 0.00 N ATOM 1005 CA TRP A 65 91.311 1.403 -2.811 1.00 0.00 C ATOM 1006 C TRP A 65 92.400 1.863 -3.780 1.00 0.00 C ATOM 1007 O TRP A 65 92.376 1.528 -4.939 1.00 0.00 O ATOM 1008 CB TRP A 65 90.848 -0.008 -3.196 1.00 0.00 C ATOM 1009 CG TRP A 65 91.867 -1.032 -2.772 1.00 0.00 C ATOM 1010 CD1 TRP A 65 93.113 -0.768 -2.297 1.00 0.00 C ATOM 1011 CD2 TRP A 65 91.742 -2.485 -2.785 1.00 0.00 C ATOM 1012 NE1 TRP A 65 93.751 -1.963 -2.022 1.00 0.00 N ATOM 1013 CE2 TRP A 65 92.949 -3.049 -2.308 1.00 0.00 C ATOM 1014 CE3 TRP A 65 90.707 -3.359 -3.163 1.00 0.00 C ATOM 1015 CZ2 TRP A 65 93.122 -4.430 -2.211 1.00 0.00 C ATOM 1016 CZ3 TRP A 65 90.879 -4.749 -3.067 1.00 0.00 C ATOM 1017 CH2 TRP A 65 92.084 -5.283 -2.593 1.00 0.00 C ATOM 0 H TRP A 65 89.617 2.302 -3.766 1.00 0.00 H new ATOM 0 HA TRP A 65 91.700 1.387 -1.793 1.00 0.00 H new ATOM 0 HB2 TRP A 65 89.889 -0.224 -2.724 1.00 0.00 H new ATOM 0 HB3 TRP A 65 90.693 -0.065 -4.273 1.00 0.00 H new ATOM 0 HD1 TRP A 65 93.536 0.216 -2.157 1.00 0.00 H new ATOM 0 HE1 TRP A 65 94.699 -2.034 -1.653 1.00 0.00 H new ATOM 0 HE3 TRP A 65 89.774 -2.958 -3.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 94.052 -4.837 -1.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 90.077 -5.411 -3.360 1.00 0.00 H new ATOM 0 HH2 TRP A 65 92.210 -6.353 -2.523 1.00 0.00 H new ATOM 1028 N GLU A 66 93.344 2.637 -3.315 1.00 0.00 N ATOM 1029 CA GLU A 66 94.426 3.134 -4.219 1.00 0.00 C ATOM 1030 C GLU A 66 95.132 1.976 -4.917 1.00 0.00 C ATOM 1031 O GLU A 66 95.703 2.148 -5.971 1.00 0.00 O ATOM 1032 CB GLU A 66 95.446 3.928 -3.419 1.00 0.00 C ATOM 1033 CG GLU A 66 95.870 3.118 -2.198 1.00 0.00 C ATOM 1034 CD GLU A 66 96.855 3.931 -1.357 1.00 0.00 C ATOM 1035 OE1 GLU A 66 96.994 3.627 -0.184 1.00 0.00 O ATOM 1036 OE2 GLU A 66 97.454 4.844 -1.901 1.00 0.00 O ATOM 0 H GLU A 66 93.414 2.948 -2.346 1.00 0.00 H new ATOM 0 HA GLU A 66 93.966 3.772 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 66 96.314 4.155 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 66 95.019 4.881 -3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 66 94.996 2.857 -1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 66 96.332 2.182 -2.513 1.00 0.00 H new ATOM 1043 N LYS A 67 95.102 0.797 -4.370 1.00 0.00 N ATOM 1044 CA LYS A 67 95.773 -0.321 -5.084 1.00 0.00 C ATOM 1045 C LYS A 67 94.936 -0.590 -6.328 1.00 0.00 C ATOM 1046 O LYS A 67 95.296 -1.355 -7.201 1.00 0.00 O ATOM 1047 CB LYS A 67 95.814 -1.585 -4.220 1.00 0.00 C ATOM 1048 CG LYS A 67 96.345 -1.266 -2.823 1.00 0.00 C ATOM 1049 CD LYS A 67 97.763 -0.697 -2.911 1.00 0.00 C ATOM 1050 CE LYS A 67 98.440 -0.778 -1.532 1.00 0.00 C ATOM 1051 NZ LYS A 67 99.145 -2.084 -1.404 1.00 0.00 N ATOM 0 H LYS A 67 94.655 0.561 -3.484 1.00 0.00 H new ATOM 0 HA LYS A 67 96.803 -0.057 -5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 67 94.815 -2.014 -4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 67 96.448 -2.335 -4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 67 95.688 -0.548 -2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 67 96.345 -2.168 -2.212 1.00 0.00 H new ATOM 0 HD2 LYS A 67 98.344 -1.255 -3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 67 97.730 0.338 -3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 67 99.147 0.043 -1.413 1.00 0.00 H new ATOM 0 HE3 LYS A 67 97.696 -0.675 -0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 99.604 -2.141 -0.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 98.459 -2.860 -1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 99.865 -2.164 -2.150 1.00 0.00 H new ATOM 1065 N LYS A 68 93.795 0.046 -6.381 1.00 0.00 N ATOM 1066 CA LYS A 68 92.854 -0.125 -7.519 1.00 0.00 C ATOM 1067 C LYS A 68 92.380 1.257 -7.977 1.00 0.00 C ATOM 1068 O LYS A 68 91.754 1.396 -9.009 1.00 0.00 O ATOM 1069 CB LYS A 68 91.629 -0.945 -7.054 1.00 0.00 C ATOM 1070 CG LYS A 68 92.038 -2.019 -6.031 1.00 0.00 C ATOM 1071 CD LYS A 68 92.725 -3.182 -6.752 1.00 0.00 C ATOM 1072 CE LYS A 68 93.452 -4.077 -5.737 1.00 0.00 C ATOM 1073 NZ LYS A 68 93.481 -5.477 -6.246 1.00 0.00 N ATOM 0 H LYS A 68 93.471 0.693 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 68 93.354 -0.644 -8.337 1.00 0.00 H new ATOM 0 HB2 LYS A 68 90.889 -0.279 -6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 68 91.157 -1.419 -7.914 1.00 0.00 H new ATOM 0 HG2 LYS A 68 92.711 -1.590 -5.288 1.00 0.00 H new ATOM 0 HG3 LYS A 68 91.159 -2.378 -5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 68 91.987 -3.767 -7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 68 93.435 -2.798 -7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 68 94.468 -3.715 -5.578 1.00 0.00 H new ATOM 0 HE3 LYS A 68 92.945 -4.039 -4.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 93.973 -6.085 -5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 92.508 -5.819 -6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 93.983 -5.505 -7.156 1.00 0.00 H new ATOM 1087 N ARG A 69 92.640 2.277 -7.196 1.00 0.00 N ATOM 1088 CA ARG A 69 92.168 3.637 -7.569 1.00 0.00 C ATOM 1089 C ARG A 69 90.676 3.535 -7.851 1.00 0.00 C ATOM 1090 O ARG A 69 90.183 4.023 -8.849 1.00 0.00 O ATOM 1091 CB ARG A 69 92.896 4.141 -8.826 1.00 0.00 C ATOM 1092 CG ARG A 69 94.345 4.557 -8.495 1.00 0.00 C ATOM 1093 CD ARG A 69 95.266 3.338 -8.562 1.00 0.00 C ATOM 1094 NE ARG A 69 95.477 2.948 -9.985 1.00 0.00 N ATOM 1095 CZ ARG A 69 96.426 2.109 -10.297 1.00 0.00 C ATOM 1096 NH1 ARG A 69 96.612 1.766 -11.543 1.00 0.00 N ATOM 1097 NH2 ARG A 69 97.190 1.610 -9.364 1.00 0.00 N ATOM 0 H ARG A 69 93.158 2.222 -6.319 1.00 0.00 H new ATOM 0 HA ARG A 69 92.372 4.340 -6.761 1.00 0.00 H new ATOM 0 HB2 ARG A 69 92.903 3.359 -9.585 1.00 0.00 H new ATOM 0 HB3 ARG A 69 92.357 4.990 -9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 69 94.683 5.318 -9.198 1.00 0.00 H new ATOM 0 HG3 ARG A 69 94.387 5.001 -7.500 1.00 0.00 H new ATOM 0 HD2 ARG A 69 96.222 3.566 -8.091 1.00 0.00 H new ATOM 0 HD3 ARG A 69 94.828 2.508 -8.008 1.00 0.00 H new ATOM 0 HE ARG A 69 94.880 3.337 -10.715 1.00 0.00 H new ATOM 0 HH11 ARG A 69 96.015 2.154 -12.273 1.00 0.00 H new ATOM 0 HH12 ARG A 69 97.354 1.110 -11.786 1.00 0.00 H new ATOM 0 HH21 ARG A 69 97.045 1.876 -8.390 1.00 0.00 H new ATOM 0 HH22 ARG A 69 97.932 0.954 -9.609 1.00 0.00 H new ATOM 1111 N THR A 70 89.960 2.868 -6.980 1.00 0.00 N ATOM 1112 CA THR A 70 88.495 2.679 -7.180 1.00 0.00 C ATOM 1113 C THR A 70 87.726 3.449 -6.121 1.00 0.00 C ATOM 1114 O THR A 70 88.293 4.157 -5.322 1.00 0.00 O ATOM 1115 CB THR A 70 88.183 1.182 -7.043 1.00 0.00 C ATOM 1116 OG1 THR A 70 86.904 0.908 -7.597 1.00 0.00 O ATOM 1117 CG2 THR A 70 88.207 0.754 -5.567 1.00 0.00 C ATOM 0 H THR A 70 90.334 2.443 -6.132 1.00 0.00 H new ATOM 0 HA THR A 70 88.203 3.044 -8.165 1.00 0.00 H new ATOM 0 HB THR A 70 88.945 0.619 -7.581 1.00 0.00 H new ATOM 0 HG1 THR A 70 86.708 -0.048 -7.510 1.00 0.00 H new ATOM 0 HG21 THR A 70 87.983 -0.310 -5.493 1.00 0.00 H new ATOM 0 HG22 THR A 70 89.195 0.947 -5.148 1.00 0.00 H new ATOM 0 HG23 THR A 70 87.460 1.321 -5.012 1.00 0.00 H new ATOM 1125 N TRP A 71 86.439 3.259 -6.089 1.00 0.00 N ATOM 1126 CA TRP A 71 85.585 3.912 -5.062 1.00 0.00 C ATOM 1127 C TRP A 71 84.761 2.809 -4.419 1.00 0.00 C ATOM 1128 O TRP A 71 83.774 2.345 -4.942 1.00 0.00 O ATOM 1129 CB TRP A 71 84.686 4.988 -5.691 1.00 0.00 C ATOM 1130 CG TRP A 71 84.200 4.592 -7.052 1.00 0.00 C ATOM 1131 CD1 TRP A 71 84.115 3.330 -7.539 1.00 0.00 C ATOM 1132 CD2 TRP A 71 83.706 5.466 -8.110 1.00 0.00 C ATOM 1133 NE1 TRP A 71 83.589 3.379 -8.808 1.00 0.00 N ATOM 1134 CE2 TRP A 71 83.328 4.670 -9.213 1.00 0.00 C ATOM 1135 CE3 TRP A 71 83.552 6.860 -8.214 1.00 0.00 C ATOM 1136 CZ2 TRP A 71 82.813 5.234 -10.381 1.00 0.00 C ATOM 1137 CZ3 TRP A 71 83.035 7.433 -9.388 1.00 0.00 C ATOM 1138 CH2 TRP A 71 82.667 6.621 -10.470 1.00 0.00 C ATOM 0 H TRP A 71 85.932 2.666 -6.746 1.00 0.00 H new ATOM 0 HA TRP A 71 86.194 4.424 -4.317 1.00 0.00 H new ATOM 0 HB2 TRP A 71 83.831 5.171 -5.040 1.00 0.00 H new ATOM 0 HB3 TRP A 71 85.238 5.925 -5.762 1.00 0.00 H new ATOM 0 HD1 TRP A 71 84.412 2.433 -7.016 1.00 0.00 H new ATOM 0 HE1 TRP A 71 83.412 2.555 -9.383 1.00 0.00 H new ATOM 0 HE3 TRP A 71 83.833 7.494 -7.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 82.529 4.603 -11.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 82.920 8.505 -9.457 1.00 0.00 H new ATOM 0 HH2 TRP A 71 82.271 7.067 -11.371 1.00 0.00 H new ATOM 1149 N LEU A 72 85.191 2.353 -3.294 1.00 0.00 N ATOM 1150 CA LEU A 72 84.483 1.238 -2.639 1.00 0.00 C ATOM 1151 C LEU A 72 83.048 1.640 -2.336 1.00 0.00 C ATOM 1152 O LEU A 72 82.725 2.178 -1.298 1.00 0.00 O ATOM 1153 CB LEU A 72 85.231 0.866 -1.366 1.00 0.00 C ATOM 1154 CG LEU A 72 86.692 0.550 -1.721 1.00 0.00 C ATOM 1155 CD1 LEU A 72 87.537 0.530 -0.449 1.00 0.00 C ATOM 1156 CD2 LEU A 72 86.793 -0.810 -2.435 1.00 0.00 C ATOM 0 H LEU A 72 86.008 2.705 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 72 84.452 0.371 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 72 85.186 1.686 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 72 84.763 0.003 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 72 87.064 1.324 -2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 72 88.573 0.306 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 72 87.486 1.504 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 72 87.156 -0.234 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.835 -1.017 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 72 86.411 -1.594 -1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 72 86.204 -0.784 -3.352 1.00 0.00 H new ATOM 1168 N LEU A 73 82.190 1.360 -3.274 1.00 0.00 N ATOM 1169 CA LEU A 73 80.734 1.671 -3.135 1.00 0.00 C ATOM 1170 C LEU A 73 79.937 0.376 -3.326 1.00 0.00 C ATOM 1171 O LEU A 73 78.736 0.391 -3.514 1.00 0.00 O ATOM 1172 CB LEU A 73 80.308 2.722 -4.186 1.00 0.00 C ATOM 1173 CG LEU A 73 80.783 2.332 -5.618 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.666 1.614 -6.389 1.00 0.00 C ATOM 1175 CD2 LEU A 73 81.166 3.599 -6.397 1.00 0.00 C ATOM 0 H LEU A 73 82.441 0.916 -4.157 1.00 0.00 H new ATOM 0 HA LEU A 73 80.537 2.083 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 73 79.223 2.825 -4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 73 80.722 3.694 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 73 81.641 1.666 -5.519 1.00 0.00 H new ATOM 0 HD11 LEU A 73 80.022 1.352 -7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 73 79.381 0.707 -5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.801 2.272 -6.474 1.00 0.00 H new ATOM 0 HD21 LEU A 73 81.498 3.324 -7.398 1.00 0.00 H new ATOM 0 HD22 LEU A 73 80.300 4.257 -6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 73 81.972 4.116 -5.877 1.00 0.00 H new ATOM 1187 N LYS A 74 80.604 -0.753 -3.271 1.00 0.00 N ATOM 1188 CA LYS A 74 79.902 -2.062 -3.446 1.00 0.00 C ATOM 1189 C LYS A 74 79.442 -2.579 -2.076 1.00 0.00 C ATOM 1190 O LYS A 74 79.997 -3.520 -1.544 1.00 0.00 O ATOM 1191 CB LYS A 74 80.873 -3.082 -4.073 1.00 0.00 C ATOM 1192 CG LYS A 74 80.866 -2.966 -5.606 1.00 0.00 C ATOM 1193 CD LYS A 74 81.312 -1.567 -6.048 1.00 0.00 C ATOM 1194 CE LYS A 74 82.723 -1.266 -5.529 1.00 0.00 C ATOM 1195 NZ LYS A 74 83.547 -2.507 -5.557 1.00 0.00 N ATOM 0 H LYS A 74 81.609 -0.823 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 74 79.038 -1.929 -4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 74 81.881 -2.912 -3.695 1.00 0.00 H new ATOM 0 HB3 LYS A 74 80.588 -4.092 -3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 74 81.530 -3.717 -6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 74 79.865 -3.171 -5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 74 81.296 -1.500 -7.136 1.00 0.00 H new ATOM 0 HD3 LYS A 74 80.613 -0.820 -5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 74 83.189 -0.495 -6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 74 82.671 -0.876 -4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 84.556 -2.254 -5.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 83.321 -3.093 -4.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 83.340 -3.041 -6.425 1.00 0.00 H new ATOM 1209 N THR A 75 78.442 -1.976 -1.498 1.00 0.00 N ATOM 1210 CA THR A 75 77.970 -2.443 -0.163 1.00 0.00 C ATOM 1211 C THR A 75 77.461 -3.884 -0.262 1.00 0.00 C ATOM 1212 O THR A 75 77.255 -4.548 0.735 1.00 0.00 O ATOM 1213 CB THR A 75 76.836 -1.531 0.325 1.00 0.00 C ATOM 1214 OG1 THR A 75 77.148 -0.187 0.000 1.00 0.00 O ATOM 1215 CG2 THR A 75 76.675 -1.661 1.843 1.00 0.00 C ATOM 0 H THR A 75 77.932 -1.184 -1.889 1.00 0.00 H new ATOM 0 HA THR A 75 78.800 -2.406 0.543 1.00 0.00 H new ATOM 0 HB THR A 75 75.905 -1.825 -0.159 1.00 0.00 H new ATOM 0 HG1 THR A 75 76.426 0.400 0.308 1.00 0.00 H new ATOM 0 HG21 THR A 75 75.868 -1.010 2.180 1.00 0.00 H new ATOM 0 HG22 THR A 75 76.438 -2.694 2.097 1.00 0.00 H new ATOM 0 HG23 THR A 75 77.604 -1.371 2.334 1.00 0.00 H new ATOM 1223 N HIS A 76 77.251 -4.373 -1.452 1.00 0.00 N ATOM 1224 CA HIS A 76 76.749 -5.769 -1.604 1.00 0.00 C ATOM 1225 C HIS A 76 77.879 -6.759 -1.318 1.00 0.00 C ATOM 1226 O HIS A 76 77.731 -7.678 -0.537 1.00 0.00 O ATOM 1227 CB HIS A 76 76.243 -5.976 -3.032 1.00 0.00 C ATOM 1228 CG HIS A 76 75.463 -7.260 -3.108 1.00 0.00 C ATOM 1229 ND1 HIS A 76 75.473 -8.193 -2.083 1.00 0.00 N ATOM 1230 CD2 HIS A 76 74.644 -7.779 -4.079 1.00 0.00 C ATOM 1231 CE1 HIS A 76 74.684 -9.216 -2.458 1.00 0.00 C ATOM 1232 NE2 HIS A 76 74.153 -9.015 -3.667 1.00 0.00 N ATOM 0 H HIS A 76 77.405 -3.868 -2.325 1.00 0.00 H new ATOM 0 HA HIS A 76 75.935 -5.937 -0.899 1.00 0.00 H new ATOM 0 HB2 HIS A 76 75.614 -5.138 -3.331 1.00 0.00 H new ATOM 0 HB3 HIS A 76 77.083 -6.007 -3.726 1.00 0.00 H new ATOM 0 HD1 HIS A 76 75.985 -8.118 -1.204 1.00 0.00 H new ATOM 0 HD2 HIS A 76 74.415 -7.301 -5.020 1.00 0.00 H new ATOM 0 HE1 HIS A 76 74.502 -10.093 -1.855 1.00 0.00 H new ATOM 1240 N TRP A 77 79.005 -6.577 -1.947 1.00 0.00 N ATOM 1241 CA TRP A 77 80.149 -7.497 -1.724 1.00 0.00 C ATOM 1242 C TRP A 77 80.765 -7.165 -0.363 1.00 0.00 C ATOM 1243 O TRP A 77 80.237 -6.374 0.393 1.00 0.00 O ATOM 1244 CB TRP A 77 81.191 -7.276 -2.846 1.00 0.00 C ATOM 1245 CG TRP A 77 81.083 -8.326 -3.920 1.00 0.00 C ATOM 1246 CD1 TRP A 77 82.137 -8.806 -4.621 1.00 0.00 C ATOM 1247 CD2 TRP A 77 79.902 -9.018 -4.439 1.00 0.00 C ATOM 1248 NE1 TRP A 77 81.687 -9.751 -5.522 1.00 0.00 N ATOM 1249 CE2 TRP A 77 80.320 -9.917 -5.452 1.00 0.00 C ATOM 1250 CE3 TRP A 77 78.528 -8.963 -4.136 1.00 0.00 C ATOM 1251 CZ2 TRP A 77 79.412 -10.727 -6.135 1.00 0.00 C ATOM 1252 CZ3 TRP A 77 77.613 -9.777 -4.824 1.00 0.00 C ATOM 1253 CH2 TRP A 77 78.054 -10.656 -5.820 1.00 0.00 C ATOM 0 H TRP A 77 79.181 -5.823 -2.611 1.00 0.00 H new ATOM 0 HA TRP A 77 79.824 -8.537 -1.739 1.00 0.00 H new ATOM 0 HB2 TRP A 77 81.048 -6.289 -3.286 1.00 0.00 H new ATOM 0 HB3 TRP A 77 82.194 -7.293 -2.420 1.00 0.00 H new ATOM 0 HD1 TRP A 77 83.165 -8.499 -4.496 1.00 0.00 H new ATOM 0 HE1 TRP A 77 82.293 -10.264 -6.162 1.00 0.00 H new ATOM 0 HE3 TRP A 77 78.175 -8.290 -3.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 79.758 -11.404 -6.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 76.562 -9.724 -4.583 1.00 0.00 H new ATOM 0 HH2 TRP A 77 77.344 -11.279 -6.344 1.00 0.00 H new ATOM 1264 N THR A 78 81.882 -7.761 -0.054 1.00 0.00 N ATOM 1265 CA THR A 78 82.557 -7.490 1.250 1.00 0.00 C ATOM 1266 C THR A 78 84.062 -7.362 0.993 1.00 0.00 C ATOM 1267 O THR A 78 84.506 -7.224 -0.129 1.00 0.00 O ATOM 1268 CB THR A 78 82.267 -8.670 2.219 1.00 0.00 C ATOM 1269 OG1 THR A 78 81.226 -9.464 1.673 1.00 0.00 O ATOM 1270 CG2 THR A 78 81.834 -8.179 3.609 1.00 0.00 C ATOM 0 H THR A 78 82.363 -8.431 -0.654 1.00 0.00 H new ATOM 0 HA THR A 78 82.187 -6.568 1.699 1.00 0.00 H new ATOM 0 HB THR A 78 83.186 -9.245 2.334 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.904 -10.094 2.352 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.641 -9.036 4.254 1.00 0.00 H new ATOM 0 HG22 THR A 78 82.627 -7.569 4.043 1.00 0.00 H new ATOM 0 HG23 THR A 78 80.926 -7.583 3.518 1.00 0.00 H new ATOM 1278 N LEU A 79 84.841 -7.426 2.027 1.00 0.00 N ATOM 1279 CA LEU A 79 86.315 -7.332 1.865 1.00 0.00 C ATOM 1280 C LEU A 79 86.775 -8.609 1.181 1.00 0.00 C ATOM 1281 O LEU A 79 87.343 -8.600 0.110 1.00 0.00 O ATOM 1282 CB LEU A 79 86.976 -7.269 3.241 1.00 0.00 C ATOM 1283 CG LEU A 79 86.785 -5.897 3.898 1.00 0.00 C ATOM 1284 CD1 LEU A 79 85.308 -5.506 3.885 1.00 0.00 C ATOM 1285 CD2 LEU A 79 87.272 -5.967 5.354 1.00 0.00 C ATOM 0 H LEU A 79 84.519 -7.541 2.988 1.00 0.00 H new ATOM 0 HA LEU A 79 86.579 -6.445 1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 79 86.554 -8.042 3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 79 88.041 -7.481 3.144 1.00 0.00 H new ATOM 0 HG LEU A 79 87.356 -5.153 3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 79 85.186 -4.530 4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 79 84.953 -5.461 2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 79 84.730 -6.248 4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 79 87.140 -4.995 5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 79 86.695 -6.717 5.895 1.00 0.00 H new ATOM 0 HD23 LEU A 79 88.327 -6.239 5.372 1.00 0.00 H new ATOM 1297 N ASP A 80 86.511 -9.711 1.818 1.00 0.00 N ATOM 1298 CA ASP A 80 86.894 -11.033 1.265 1.00 0.00 C ATOM 1299 C ASP A 80 86.496 -11.123 -0.198 1.00 0.00 C ATOM 1300 O ASP A 80 87.285 -11.476 -1.053 1.00 0.00 O ATOM 1301 CB ASP A 80 86.131 -12.098 2.032 1.00 0.00 C ATOM 1302 CG ASP A 80 86.577 -13.488 1.577 1.00 0.00 C ATOM 1303 OD1 ASP A 80 85.747 -14.382 1.567 1.00 0.00 O ATOM 1304 OD2 ASP A 80 87.742 -13.636 1.245 1.00 0.00 O ATOM 0 H ASP A 80 86.035 -9.750 2.719 1.00 0.00 H new ATOM 0 HA ASP A 80 87.972 -11.170 1.355 1.00 0.00 H new ATOM 0 HB2 ASP A 80 86.305 -11.983 3.102 1.00 0.00 H new ATOM 0 HB3 ASP A 80 85.060 -11.979 1.869 1.00 0.00 H new ATOM 1309 N LYS A 81 85.261 -10.831 -0.483 1.00 0.00 N ATOM 1310 CA LYS A 81 84.774 -10.921 -1.884 1.00 0.00 C ATOM 1311 C LYS A 81 85.788 -10.288 -2.829 1.00 0.00 C ATOM 1312 O LYS A 81 86.242 -10.899 -3.776 1.00 0.00 O ATOM 1313 CB LYS A 81 83.436 -10.187 -2.026 1.00 0.00 C ATOM 1314 CG LYS A 81 82.572 -10.402 -0.785 1.00 0.00 C ATOM 1315 CD LYS A 81 82.430 -11.895 -0.490 1.00 0.00 C ATOM 1316 CE LYS A 81 81.410 -12.106 0.636 1.00 0.00 C ATOM 1317 NZ LYS A 81 80.892 -13.502 0.581 1.00 0.00 N ATOM 0 H LYS A 81 84.564 -10.532 0.199 1.00 0.00 H new ATOM 0 HA LYS A 81 84.642 -11.973 -2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 81 83.613 -9.122 -2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 81 82.909 -10.547 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 81 83.020 -9.896 0.070 1.00 0.00 H new ATOM 0 HG3 LYS A 81 81.588 -9.959 -0.938 1.00 0.00 H new ATOM 0 HD2 LYS A 81 82.109 -12.424 -1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 81 83.395 -12.312 -0.202 1.00 0.00 H new ATOM 0 HE2 LYS A 81 81.876 -11.917 1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 81 80.588 -11.397 0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 80.200 -13.646 1.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 80.433 -13.666 -0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 81.681 -14.170 0.698 1.00 0.00 H new ATOM 1331 N TYR A 82 86.138 -9.062 -2.580 1.00 0.00 N ATOM 1332 CA TYR A 82 87.118 -8.383 -3.472 1.00 0.00 C ATOM 1333 C TYR A 82 88.526 -8.923 -3.177 1.00 0.00 C ATOM 1334 O TYR A 82 89.311 -9.143 -4.079 1.00 0.00 O ATOM 1335 CB TYR A 82 87.050 -6.853 -3.242 1.00 0.00 C ATOM 1336 CG TYR A 82 86.899 -6.124 -4.566 1.00 0.00 C ATOM 1337 CD1 TYR A 82 87.997 -6.000 -5.426 1.00 0.00 C ATOM 1338 CD2 TYR A 82 85.661 -5.578 -4.930 1.00 0.00 C ATOM 1339 CE1 TYR A 82 87.858 -5.331 -6.649 1.00 0.00 C ATOM 1340 CE2 TYR A 82 85.523 -4.909 -6.152 1.00 0.00 C ATOM 1341 CZ TYR A 82 86.620 -4.786 -7.011 1.00 0.00 C ATOM 1342 OH TYR A 82 86.482 -4.125 -8.215 1.00 0.00 O ATOM 0 H TYR A 82 85.792 -8.500 -1.802 1.00 0.00 H new ATOM 0 HA TYR A 82 86.880 -8.584 -4.517 1.00 0.00 H new ATOM 0 HB2 TYR A 82 86.210 -6.614 -2.590 1.00 0.00 H new ATOM 0 HB3 TYR A 82 87.953 -6.515 -2.734 1.00 0.00 H new ATOM 0 HD1 TYR A 82 88.952 -6.420 -5.146 1.00 0.00 H new ATOM 0 HD2 TYR A 82 84.813 -5.673 -4.268 1.00 0.00 H new ATOM 0 HE1 TYR A 82 88.705 -5.236 -7.312 1.00 0.00 H new ATOM 0 HE2 TYR A 82 84.569 -4.488 -6.432 1.00 0.00 H new ATOM 0 HH TYR A 82 85.559 -3.810 -8.311 1.00 0.00 H new ATOM 1352 N GLY A 83 88.848 -9.138 -1.923 1.00 0.00 N ATOM 1353 CA GLY A 83 90.204 -9.666 -1.558 1.00 0.00 C ATOM 1354 C GLY A 83 90.892 -8.669 -0.633 1.00 0.00 C ATOM 1355 O GLY A 83 92.051 -8.809 -0.297 1.00 0.00 O ATOM 0 H GLY A 83 88.227 -8.970 -1.132 1.00 0.00 H new ATOM 0 HA2 GLY A 83 90.111 -10.634 -1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.802 -9.821 -2.456 1.00 0.00 H new ATOM 1359 N ILE A 84 90.182 -7.661 -0.218 1.00 0.00 N ATOM 1360 CA ILE A 84 90.783 -6.649 0.686 1.00 0.00 C ATOM 1361 C ILE A 84 91.200 -7.321 1.994 1.00 0.00 C ATOM 1362 O ILE A 84 90.740 -8.394 2.330 1.00 0.00 O ATOM 1363 CB ILE A 84 89.751 -5.557 0.969 1.00 0.00 C ATOM 1364 CG1 ILE A 84 89.376 -4.851 -0.344 1.00 0.00 C ATOM 1365 CG2 ILE A 84 90.339 -4.534 1.940 1.00 0.00 C ATOM 1366 CD1 ILE A 84 88.006 -4.176 -0.200 1.00 0.00 C ATOM 0 H ILE A 84 89.207 -7.495 -0.468 1.00 0.00 H new ATOM 0 HA ILE A 84 91.661 -6.206 0.216 1.00 0.00 H new ATOM 0 HB ILE A 84 88.862 -6.009 1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 84 90.133 -4.108 -0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 84 89.352 -5.572 -1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 84 89.602 -3.757 2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 84 90.606 -5.030 2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 84 91.229 -4.085 1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 84 87.746 -3.677 -1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 84 87.252 -4.928 0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 84 88.045 -3.442 0.605 1.00 0.00 H new ATOM 1378 N GLN A 85 92.068 -6.693 2.729 1.00 0.00 N ATOM 1379 CA GLN A 85 92.529 -7.277 4.017 1.00 0.00 C ATOM 1380 C GLN A 85 93.382 -6.238 4.753 1.00 0.00 C ATOM 1381 O GLN A 85 93.358 -5.065 4.440 1.00 0.00 O ATOM 1382 CB GLN A 85 93.364 -8.546 3.739 1.00 0.00 C ATOM 1383 CG GLN A 85 93.203 -9.562 4.892 1.00 0.00 C ATOM 1384 CD GLN A 85 92.001 -10.467 4.627 1.00 0.00 C ATOM 1385 OE1 GLN A 85 92.067 -11.665 4.819 1.00 0.00 O ATOM 1386 NE2 GLN A 85 90.899 -9.934 4.191 1.00 0.00 N ATOM 0 H GLN A 85 92.483 -5.792 2.492 1.00 0.00 H new ATOM 0 HA GLN A 85 91.672 -7.548 4.633 1.00 0.00 H new ATOM 0 HB2 GLN A 85 93.046 -8.999 2.800 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.415 -8.280 3.625 1.00 0.00 H new ATOM 0 HG2 GLN A 85 94.107 -10.163 4.987 1.00 0.00 H new ATOM 0 HG3 GLN A 85 93.070 -9.035 5.837 1.00 0.00 H new ATOM 0 HE21 GLN A 85 90.848 -8.928 4.031 1.00 0.00 H new ATOM 0 HE22 GLN A 85 90.085 -10.522 4.009 1.00 0.00 H new ATOM 1395 N ALA A 86 94.137 -6.665 5.724 1.00 0.00 N ATOM 1396 CA ALA A 86 94.993 -5.714 6.485 1.00 0.00 C ATOM 1397 C ALA A 86 96.156 -5.247 5.610 1.00 0.00 C ATOM 1398 O ALA A 86 96.699 -4.177 5.802 1.00 0.00 O ATOM 1399 CB ALA A 86 95.548 -6.428 7.716 1.00 0.00 C ATOM 0 H ALA A 86 94.199 -7.637 6.025 1.00 0.00 H new ATOM 0 HA ALA A 86 94.400 -4.850 6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 86 96.177 -5.741 8.282 1.00 0.00 H new ATOM 0 HB2 ALA A 86 94.723 -6.766 8.344 1.00 0.00 H new ATOM 0 HB3 ALA A 86 96.140 -7.287 7.402 1.00 0.00 H new ATOM 1405 N ASP A 87 96.545 -6.041 4.657 1.00 0.00 N ATOM 1406 CA ASP A 87 97.675 -5.642 3.781 1.00 0.00 C ATOM 1407 C ASP A 87 97.183 -4.580 2.805 1.00 0.00 C ATOM 1408 O ASP A 87 97.950 -3.959 2.096 1.00 0.00 O ATOM 1409 CB ASP A 87 98.170 -6.863 3.010 1.00 0.00 C ATOM 1410 CG ASP A 87 96.982 -7.569 2.355 1.00 0.00 C ATOM 1411 OD1 ASP A 87 96.421 -7.008 1.429 1.00 0.00 O ATOM 1412 OD2 ASP A 87 96.652 -8.660 2.792 1.00 0.00 O ATOM 0 H ASP A 87 96.130 -6.949 4.447 1.00 0.00 H new ATOM 0 HA ASP A 87 98.493 -5.242 4.379 1.00 0.00 H new ATOM 0 HB2 ASP A 87 98.890 -6.559 2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 87 98.687 -7.547 3.684 1.00 0.00 H new ATOM 1417 N ALA A 88 95.898 -4.376 2.770 1.00 0.00 N ATOM 1418 CA ALA A 88 95.307 -3.364 1.854 1.00 0.00 C ATOM 1419 C ALA A 88 95.016 -2.084 2.643 1.00 0.00 C ATOM 1420 O ALA A 88 94.175 -2.070 3.515 1.00 0.00 O ATOM 1421 CB ALA A 88 94.006 -3.945 1.303 1.00 0.00 C ATOM 0 H ALA A 88 95.221 -4.876 3.347 1.00 0.00 H new ATOM 0 HA ALA A 88 95.989 -3.126 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 88 93.545 -3.226 0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 88 94.219 -4.868 0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 88 93.324 -4.156 2.127 1.00 0.00 H new ATOM 1427 N LYS A 89 95.702 -1.008 2.351 1.00 0.00 N ATOM 1428 CA LYS A 89 95.447 0.264 3.096 1.00 0.00 C ATOM 1429 C LYS A 89 94.450 1.116 2.322 1.00 0.00 C ATOM 1430 O LYS A 89 94.703 1.560 1.220 1.00 0.00 O ATOM 1431 CB LYS A 89 96.749 1.055 3.292 1.00 0.00 C ATOM 1432 CG LYS A 89 97.915 0.115 3.611 1.00 0.00 C ATOM 1433 CD LYS A 89 97.765 -0.484 5.020 1.00 0.00 C ATOM 1434 CE LYS A 89 98.579 -1.772 5.110 1.00 0.00 C ATOM 1435 NZ LYS A 89 100.006 -1.484 4.789 1.00 0.00 N ATOM 0 H LYS A 89 96.424 -0.954 1.633 1.00 0.00 H new ATOM 0 HA LYS A 89 95.042 0.014 4.076 1.00 0.00 H new ATOM 0 HB2 LYS A 89 96.972 1.625 2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 89 96.624 1.774 4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 89 97.954 -0.686 2.873 1.00 0.00 H new ATOM 0 HG3 LYS A 89 98.857 0.660 3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 89 98.108 0.229 5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 89 96.715 -0.688 5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 89 98.499 -2.196 6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 89 98.182 -2.514 4.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 100.604 -2.261 5.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 100.119 -1.395 3.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 100.292 -0.595 5.247 1.00 0.00 H new ATOM 1449 N LEU A 90 93.318 1.344 2.912 1.00 0.00 N ATOM 1450 CA LEU A 90 92.262 2.170 2.262 1.00 0.00 C ATOM 1451 C LEU A 90 92.385 3.614 2.741 1.00 0.00 C ATOM 1452 O LEU A 90 93.218 3.940 3.557 1.00 0.00 O ATOM 1453 CB LEU A 90 90.878 1.620 2.617 1.00 0.00 C ATOM 1454 CG LEU A 90 90.916 0.095 2.583 1.00 0.00 C ATOM 1455 CD1 LEU A 90 89.509 -0.457 2.818 1.00 0.00 C ATOM 1456 CD2 LEU A 90 91.429 -0.382 1.221 1.00 0.00 C ATOM 0 H LEU A 90 93.071 0.988 3.835 1.00 0.00 H new ATOM 0 HA LEU A 90 92.388 2.134 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 90 90.580 1.966 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 90 90.135 1.992 1.912 1.00 0.00 H new ATOM 0 HG LEU A 90 91.585 -0.264 3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 90 89.537 -1.546 2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 90 89.146 -0.125 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 90 88.841 -0.094 2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.454 -1.472 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 90 90.765 -0.021 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 90 92.434 0.007 1.054 1.00 0.00 H new ATOM 1468 N GLN A 91 91.571 4.479 2.214 1.00 0.00 N ATOM 1469 CA GLN A 91 91.603 5.919 2.612 1.00 0.00 C ATOM 1470 C GLN A 91 90.166 6.355 2.889 1.00 0.00 C ATOM 1471 O GLN A 91 89.232 5.741 2.416 1.00 0.00 O ATOM 1472 CB GLN A 91 92.155 6.778 1.468 1.00 0.00 C ATOM 1473 CG GLN A 91 93.489 6.211 0.943 1.00 0.00 C ATOM 1474 CD GLN A 91 93.712 6.669 -0.490 1.00 0.00 C ATOM 1475 OE1 GLN A 91 94.596 6.187 -1.169 1.00 0.00 O ATOM 1476 NE2 GLN A 91 92.945 7.593 -0.971 1.00 0.00 N ATOM 0 H GLN A 91 90.869 4.249 1.510 1.00 0.00 H new ATOM 0 HA GLN A 91 92.239 6.043 3.489 1.00 0.00 H new ATOM 0 HB2 GLN A 91 91.429 6.818 0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 91 92.302 7.801 1.815 1.00 0.00 H new ATOM 0 HG2 GLN A 91 94.312 6.547 1.574 1.00 0.00 H new ATOM 0 HG3 GLN A 91 93.476 5.122 0.989 1.00 0.00 H new ATOM 0 HE21 GLN A 91 92.205 7.993 -0.394 1.00 0.00 H new ATOM 0 HE22 GLN A 91 93.080 7.922 -1.927 1.00 0.00 H new ATOM 1485 N PHE A 92 89.981 7.418 3.634 1.00 0.00 N ATOM 1486 CA PHE A 92 88.595 7.915 3.934 1.00 0.00 C ATOM 1487 C PHE A 92 88.443 9.299 3.306 1.00 0.00 C ATOM 1488 O PHE A 92 88.802 10.314 3.869 1.00 0.00 O ATOM 1489 CB PHE A 92 88.385 7.908 5.470 1.00 0.00 C ATOM 1490 CG PHE A 92 87.497 9.040 5.987 1.00 0.00 C ATOM 1491 CD1 PHE A 92 86.386 9.507 5.263 1.00 0.00 C ATOM 1492 CD2 PHE A 92 87.798 9.615 7.233 1.00 0.00 C ATOM 1493 CE1 PHE A 92 85.599 10.545 5.790 1.00 0.00 C ATOM 1494 CE2 PHE A 92 87.009 10.646 7.748 1.00 0.00 C ATOM 1495 CZ PHE A 92 85.912 11.111 7.027 1.00 0.00 C ATOM 0 H PHE A 92 90.733 7.968 4.051 1.00 0.00 H new ATOM 0 HA PHE A 92 87.823 7.274 3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 92 87.945 6.954 5.761 1.00 0.00 H new ATOM 0 HB3 PHE A 92 89.357 7.972 5.959 1.00 0.00 H new ATOM 0 HD1 PHE A 92 86.139 9.070 4.307 1.00 0.00 H new ATOM 0 HD2 PHE A 92 88.646 9.257 7.797 1.00 0.00 H new ATOM 0 HE1 PHE A 92 84.747 10.907 5.234 1.00 0.00 H new ATOM 0 HE2 PHE A 92 87.250 11.083 8.706 1.00 0.00 H new ATOM 0 HZ PHE A 92 85.303 11.910 7.425 1.00 0.00 H new ATOM 1505 N THR A 93 87.913 9.310 2.111 1.00 0.00 N ATOM 1506 CA THR A 93 87.709 10.577 1.349 1.00 0.00 C ATOM 1507 C THR A 93 86.436 10.425 0.505 1.00 0.00 C ATOM 1508 O THR A 93 85.987 9.324 0.261 1.00 0.00 O ATOM 1509 CB THR A 93 88.922 10.809 0.420 1.00 0.00 C ATOM 1510 OG1 THR A 93 88.485 11.364 -0.813 1.00 0.00 O ATOM 1511 CG2 THR A 93 89.631 9.479 0.137 1.00 0.00 C ATOM 0 H THR A 93 87.605 8.471 1.619 1.00 0.00 H new ATOM 0 HA THR A 93 87.611 11.424 2.029 1.00 0.00 H new ATOM 0 HB THR A 93 89.611 11.495 0.913 1.00 0.00 H new ATOM 0 HG1 THR A 93 89.258 11.511 -1.398 1.00 0.00 H new ATOM 0 HG21 THR A 93 90.484 9.654 -0.518 1.00 0.00 H new ATOM 0 HG22 THR A 93 89.977 9.044 1.075 1.00 0.00 H new ATOM 0 HG23 THR A 93 88.936 8.792 -0.347 1.00 0.00 H new ATOM 1642 N SER B 547 55.059 27.717 11.457 1.00 0.00 N ATOM 1643 CA SER B 547 54.760 26.582 12.372 1.00 0.00 C ATOM 1644 C SER B 547 55.925 26.438 13.348 1.00 0.00 C ATOM 1645 O SER B 547 57.040 26.210 12.950 1.00 0.00 O ATOM 1646 CB SER B 547 54.608 25.300 11.548 1.00 0.00 C ATOM 1647 OG SER B 547 53.250 25.156 11.153 1.00 0.00 O ATOM 0 HA SER B 547 53.836 26.762 12.921 1.00 0.00 H new ATOM 0 HB2 SER B 547 55.252 25.340 10.670 1.00 0.00 H new ATOM 0 HB3 SER B 547 54.922 24.437 12.135 1.00 0.00 H new ATOM 0 HG SER B 547 53.148 24.337 10.624 1.00 0.00 H new ATOM 1653 N LEU B 548 55.688 26.586 14.615 1.00 0.00 N ATOM 1654 CA LEU B 548 56.806 26.475 15.587 1.00 0.00 C ATOM 1655 C LEU B 548 57.445 25.094 15.503 1.00 0.00 C ATOM 1656 O LEU B 548 56.769 24.093 15.479 1.00 0.00 O ATOM 1657 CB LEU B 548 56.269 26.724 17.016 1.00 0.00 C ATOM 1658 CG LEU B 548 56.571 28.169 17.453 1.00 0.00 C ATOM 1659 CD1 LEU B 548 55.707 29.149 16.655 1.00 0.00 C ATOM 1660 CD2 LEU B 548 56.280 28.339 18.941 1.00 0.00 C ATOM 0 H LEU B 548 54.772 26.778 15.021 1.00 0.00 H new ATOM 0 HA LEU B 548 57.564 27.221 15.348 1.00 0.00 H new ATOM 0 HB2 LEU B 548 55.194 26.545 17.045 1.00 0.00 H new ATOM 0 HB3 LEU B 548 56.728 26.022 17.712 1.00 0.00 H new ATOM 0 HG LEU B 548 57.624 28.376 17.265 1.00 0.00 H new ATOM 0 HD11 LEU B 548 55.927 30.169 16.971 1.00 0.00 H new ATOM 0 HD12 LEU B 548 55.924 29.043 15.592 1.00 0.00 H new ATOM 0 HD13 LEU B 548 54.653 28.934 16.833 1.00 0.00 H new ATOM 0 HD21 LEU B 548 56.497 29.365 19.239 1.00 0.00 H new ATOM 0 HD22 LEU B 548 55.230 28.120 19.134 1.00 0.00 H new ATOM 0 HD23 LEU B 548 56.905 27.654 19.514 1.00 0.00 H new ATOM 1672 N CYS B 549 58.753 25.036 15.505 1.00 0.00 N ATOM 1673 CA CYS B 549 59.430 23.718 15.463 1.00 0.00 C ATOM 1674 C CYS B 549 59.475 23.228 16.902 1.00 0.00 C ATOM 1675 O CYS B 549 60.239 23.705 17.716 1.00 0.00 O ATOM 1676 CB CYS B 549 60.853 23.913 14.910 1.00 0.00 C ATOM 1677 SG CYS B 549 61.968 22.577 15.451 1.00 0.00 S ATOM 0 H CYS B 549 59.374 25.845 15.534 1.00 0.00 H new ATOM 0 HA CYS B 549 58.915 22.999 14.826 1.00 0.00 H new ATOM 0 HB2 CYS B 549 60.820 23.943 13.821 1.00 0.00 H new ATOM 0 HB3 CYS B 549 61.246 24.874 15.243 1.00 0.00 H new ATOM 0 HG CYS B 549 61.265 21.580 15.899 1.00 0.00 H new ATOM 1682 N SER B 550 58.624 22.301 17.223 1.00 0.00 N ATOM 1683 CA SER B 550 58.566 21.797 18.618 1.00 0.00 C ATOM 1684 C SER B 550 59.958 21.407 19.076 1.00 0.00 C ATOM 1685 O SER B 550 60.677 20.682 18.417 1.00 0.00 O ATOM 1686 CB SER B 550 57.596 20.625 18.726 1.00 0.00 C ATOM 1687 OG SER B 550 57.765 19.988 19.986 1.00 0.00 O ATOM 0 H SER B 550 57.963 21.869 16.577 1.00 0.00 H new ATOM 0 HA SER B 550 58.196 22.587 19.271 1.00 0.00 H new ATOM 0 HB2 SER B 550 56.570 20.977 18.618 1.00 0.00 H new ATOM 0 HB3 SER B 550 57.776 19.914 17.919 1.00 0.00 H new ATOM 0 HG SER B 550 56.892 19.882 20.418 1.00 0.00 H new ATOM 1693 N GLY B 551 60.349 21.942 20.193 1.00 0.00 N ATOM 1694 CA GLY B 551 61.714 21.695 20.737 1.00 0.00 C ATOM 1695 C GLY B 551 62.470 23.001 20.589 1.00 0.00 C ATOM 1696 O GLY B 551 63.274 23.384 21.415 1.00 0.00 O ATOM 0 H GLY B 551 59.769 22.554 20.767 1.00 0.00 H new ATOM 0 HA2 GLY B 551 61.667 21.388 21.782 1.00 0.00 H new ATOM 0 HA3 GLY B 551 62.211 20.893 20.191 1.00 0.00 H new ATOM 1700 N CYS B 552 62.172 23.702 19.533 1.00 0.00 N ATOM 1701 CA CYS B 552 62.798 25.016 19.272 1.00 0.00 C ATOM 1702 C CYS B 552 61.750 26.085 19.566 1.00 0.00 C ATOM 1703 O CYS B 552 62.043 27.165 20.034 1.00 0.00 O ATOM 1704 CB CYS B 552 63.161 25.084 17.790 1.00 0.00 C ATOM 1705 SG CYS B 552 64.765 24.305 17.502 1.00 0.00 S ATOM 0 H CYS B 552 61.502 23.406 18.824 1.00 0.00 H new ATOM 0 HA CYS B 552 63.688 25.162 19.885 1.00 0.00 H new ATOM 0 HB2 CYS B 552 62.395 24.584 17.197 1.00 0.00 H new ATOM 0 HB3 CYS B 552 63.190 26.123 17.463 1.00 0.00 H new ATOM 0 HG CYS B 552 65.055 24.365 16.236 1.00 0.00 H new ATOM 1710 N GLN B 553 60.524 25.772 19.260 1.00 0.00 N ATOM 1711 CA GLN B 553 59.414 26.728 19.462 1.00 0.00 C ATOM 1712 C GLN B 553 59.716 28.030 18.747 1.00 0.00 C ATOM 1713 O GLN B 553 59.696 29.106 19.308 1.00 0.00 O ATOM 1714 CB GLN B 553 59.150 26.958 20.936 1.00 0.00 C ATOM 1715 CG GLN B 553 58.645 25.649 21.542 1.00 0.00 C ATOM 1716 CD GLN B 553 57.265 25.285 20.987 1.00 0.00 C ATOM 1717 OE1 GLN B 553 56.251 25.577 21.590 1.00 0.00 O ATOM 1718 NE2 GLN B 553 57.194 24.652 19.848 1.00 0.00 N ATOM 0 H GLN B 553 60.243 24.872 18.870 1.00 0.00 H new ATOM 0 HA GLN B 553 58.506 26.302 19.035 1.00 0.00 H new ATOM 0 HB2 GLN B 553 60.061 27.283 21.439 1.00 0.00 H new ATOM 0 HB3 GLN B 553 58.412 27.749 21.071 1.00 0.00 H new ATOM 0 HG2 GLN B 553 59.351 24.847 21.326 1.00 0.00 H new ATOM 0 HG3 GLN B 553 58.592 25.743 22.627 1.00 0.00 H new ATOM 0 HE21 GLN B 553 58.048 24.409 19.345 1.00 0.00 H new ATOM 0 HE22 GLN B 553 56.285 24.400 19.460 1.00 0.00 H new ATOM 1727 N LYS B 554 59.950 27.902 17.481 1.00 0.00 N ATOM 1728 CA LYS B 554 60.222 29.074 16.595 1.00 0.00 C ATOM 1729 C LYS B 554 59.501 28.805 15.257 1.00 0.00 C ATOM 1730 O LYS B 554 59.727 27.775 14.655 1.00 0.00 O ATOM 1731 CB LYS B 554 61.725 29.205 16.329 1.00 0.00 C ATOM 1732 CG LYS B 554 62.475 29.515 17.630 1.00 0.00 C ATOM 1733 CD LYS B 554 62.079 30.905 18.159 1.00 0.00 C ATOM 1734 CE LYS B 554 63.192 31.463 19.054 1.00 0.00 C ATOM 1735 NZ LYS B 554 64.288 32.006 18.202 1.00 0.00 N ATOM 0 H LYS B 554 59.966 27.003 16.999 1.00 0.00 H new ATOM 0 HA LYS B 554 59.873 29.993 17.066 1.00 0.00 H new ATOM 0 HB2 LYS B 554 62.105 28.281 15.894 1.00 0.00 H new ATOM 0 HB3 LYS B 554 61.904 29.997 15.601 1.00 0.00 H new ATOM 0 HG2 LYS B 554 62.248 28.756 18.378 1.00 0.00 H new ATOM 0 HG3 LYS B 554 63.550 29.478 17.455 1.00 0.00 H new ATOM 0 HD2 LYS B 554 61.898 31.583 17.325 1.00 0.00 H new ATOM 0 HD3 LYS B 554 61.148 30.837 18.722 1.00 0.00 H new ATOM 0 HE2 LYS B 554 62.796 32.247 19.699 1.00 0.00 H new ATOM 0 HE3 LYS B 554 63.578 30.679 19.705 1.00 0.00 H new ATOM 0 HZ1 LYS B 554 64.951 32.548 18.793 1.00 0.00 H new ATOM 0 HZ2 LYS B 554 64.794 31.221 17.745 1.00 0.00 H new ATOM 0 HZ3 LYS B 554 63.885 32.629 17.473 1.00 0.00 H new ATOM 1749 N PRO B 555 58.625 29.670 14.783 1.00 0.00 N ATOM 1750 CA PRO B 555 57.900 29.397 13.508 1.00 0.00 C ATOM 1751 C PRO B 555 58.778 28.856 12.380 1.00 0.00 C ATOM 1752 O PRO B 555 59.860 29.337 12.110 1.00 0.00 O ATOM 1753 CB PRO B 555 57.335 30.772 13.158 1.00 0.00 C ATOM 1754 CG PRO B 555 57.282 31.587 14.460 1.00 0.00 C ATOM 1755 CD PRO B 555 58.274 30.952 15.456 1.00 0.00 C ATOM 0 HA PRO B 555 57.155 28.610 13.629 1.00 0.00 H new ATOM 0 HB2 PRO B 555 57.963 31.269 12.418 1.00 0.00 H new ATOM 0 HB3 PRO B 555 56.341 30.679 12.721 1.00 0.00 H new ATOM 0 HG2 PRO B 555 57.545 32.628 14.270 1.00 0.00 H new ATOM 0 HG3 PRO B 555 56.273 31.584 14.872 1.00 0.00 H new ATOM 0 HD2 PRO B 555 59.150 31.581 15.614 1.00 0.00 H new ATOM 0 HD3 PRO B 555 57.820 30.787 16.433 1.00 0.00 H new ATOM 1763 N ILE B 556 58.276 27.855 11.719 1.00 0.00 N ATOM 1764 CA ILE B 556 58.995 27.229 10.584 1.00 0.00 C ATOM 1765 C ILE B 556 58.515 27.904 9.297 1.00 0.00 C ATOM 1766 O ILE B 556 57.459 27.594 8.782 1.00 0.00 O ATOM 1767 CB ILE B 556 58.636 25.743 10.562 1.00 0.00 C ATOM 1768 CG1 ILE B 556 59.249 25.035 11.794 1.00 0.00 C ATOM 1769 CG2 ILE B 556 59.177 25.107 9.288 1.00 0.00 C ATOM 1770 CD1 ILE B 556 58.455 23.757 12.134 1.00 0.00 C ATOM 0 H ILE B 556 57.370 27.434 11.926 1.00 0.00 H new ATOM 0 HA ILE B 556 60.075 27.342 10.678 1.00 0.00 H new ATOM 0 HB ILE B 556 57.552 25.636 10.590 1.00 0.00 H new ATOM 0 HG12 ILE B 556 60.290 24.781 11.594 1.00 0.00 H new ATOM 0 HG13 ILE B 556 59.244 25.711 12.649 1.00 0.00 H new ATOM 0 HG21 ILE B 556 58.921 24.048 9.273 1.00 0.00 H new ATOM 0 HG22 ILE B 556 58.737 25.599 8.421 1.00 0.00 H new ATOM 0 HG23 ILE B 556 60.261 25.219 9.258 1.00 0.00 H new ATOM 0 HD11 ILE B 556 58.900 23.272 13.003 1.00 0.00 H new ATOM 0 HD12 ILE B 556 57.421 24.019 12.355 1.00 0.00 H new ATOM 0 HD13 ILE B 556 58.482 23.075 11.284 1.00 0.00 H new ATOM 1782 N THR B 557 59.262 28.854 8.795 1.00 0.00 N ATOM 1783 CA THR B 557 58.830 29.591 7.564 1.00 0.00 C ATOM 1784 C THR B 557 59.529 29.046 6.319 1.00 0.00 C ATOM 1785 O THR B 557 60.599 29.481 5.942 1.00 0.00 O ATOM 1786 CB THR B 557 59.163 31.068 7.750 1.00 0.00 C ATOM 1787 OG1 THR B 557 60.544 31.281 7.489 1.00 0.00 O ATOM 1788 CG2 THR B 557 58.840 31.462 9.193 1.00 0.00 C ATOM 0 H THR B 557 60.156 29.154 9.184 1.00 0.00 H new ATOM 0 HA THR B 557 57.758 29.458 7.421 1.00 0.00 H new ATOM 0 HB THR B 557 58.576 31.675 7.060 1.00 0.00 H new ATOM 0 HG1 THR B 557 60.746 31.024 6.565 1.00 0.00 H new ATOM 0 HG21 THR B 557 59.073 32.516 9.343 1.00 0.00 H new ATOM 0 HG22 THR B 557 57.781 31.293 9.388 1.00 0.00 H new ATOM 0 HG23 THR B 557 59.436 30.858 9.877 1.00 0.00 H new ATOM 1796 N GLY B 558 58.909 28.098 5.679 1.00 0.00 N ATOM 1797 CA GLY B 558 59.482 27.493 4.446 1.00 0.00 C ATOM 1798 C GLY B 558 58.894 26.094 4.304 1.00 0.00 C ATOM 1799 O GLY B 558 57.801 25.912 3.804 1.00 0.00 O ATOM 0 H GLY B 558 58.010 27.708 5.964 1.00 0.00 H new ATOM 0 HA2 GLY B 558 59.241 28.100 3.574 1.00 0.00 H new ATOM 0 HA3 GLY B 558 60.569 27.447 4.511 1.00 0.00 H new ATOM 1803 N ARG B 559 59.603 25.113 4.780 1.00 0.00 N ATOM 1804 CA ARG B 559 59.114 23.709 4.740 1.00 0.00 C ATOM 1805 C ARG B 559 58.914 23.268 6.180 1.00 0.00 C ATOM 1806 O ARG B 559 59.566 23.768 7.074 1.00 0.00 O ATOM 1807 CB ARG B 559 60.173 22.824 4.064 1.00 0.00 C ATOM 1808 CG ARG B 559 59.983 22.858 2.539 1.00 0.00 C ATOM 1809 CD ARG B 559 58.941 21.816 2.108 1.00 0.00 C ATOM 1810 NE ARG B 559 58.357 22.214 0.795 1.00 0.00 N ATOM 1811 CZ ARG B 559 57.685 21.347 0.089 1.00 0.00 C ATOM 1812 NH1 ARG B 559 57.169 21.698 -1.058 1.00 0.00 N ATOM 1813 NH2 ARG B 559 57.529 20.128 0.528 1.00 0.00 N ATOM 0 H ARG B 559 60.523 25.228 5.205 1.00 0.00 H new ATOM 0 HA ARG B 559 58.183 23.627 4.178 1.00 0.00 H new ATOM 0 HB2 ARG B 559 61.172 23.174 4.323 1.00 0.00 H new ATOM 0 HB3 ARG B 559 60.090 21.800 4.427 1.00 0.00 H new ATOM 0 HG2 ARG B 559 59.663 23.852 2.228 1.00 0.00 H new ATOM 0 HG3 ARG B 559 60.933 22.659 2.043 1.00 0.00 H new ATOM 0 HD2 ARG B 559 59.405 20.833 2.029 1.00 0.00 H new ATOM 0 HD3 ARG B 559 58.155 21.739 2.860 1.00 0.00 H new ATOM 0 HE ARG B 559 58.483 23.165 0.449 1.00 0.00 H new ATOM 0 HH11 ARG B 559 57.291 22.650 -1.402 1.00 0.00 H new ATOM 0 HH12 ARG B 559 56.644 21.020 -1.610 1.00 0.00 H new ATOM 0 HH21 ARG B 559 57.933 19.853 1.423 1.00 0.00 H new ATOM 0 HH22 ARG B 559 57.003 19.450 -0.024 1.00 0.00 H new ATOM 1827 N CYS B 560 58.022 22.351 6.433 1.00 0.00 N ATOM 1828 CA CYS B 560 57.813 21.911 7.844 1.00 0.00 C ATOM 1829 C CYS B 560 57.493 20.432 7.924 1.00 0.00 C ATOM 1830 O CYS B 560 56.575 19.934 7.305 1.00 0.00 O ATOM 1831 CB CYS B 560 56.679 22.711 8.484 1.00 0.00 C ATOM 1832 SG CYS B 560 55.171 22.519 7.502 1.00 0.00 S ATOM 0 H CYS B 560 57.435 21.892 5.736 1.00 0.00 H new ATOM 0 HA CYS B 560 58.742 22.091 8.385 1.00 0.00 H new ATOM 0 HB2 CYS B 560 56.507 22.366 9.504 1.00 0.00 H new ATOM 0 HB3 CYS B 560 56.953 23.764 8.546 1.00 0.00 H new ATOM 0 HG CYS B 560 55.163 21.345 6.944 1.00 0.00 H new ATOM 1838 N ILE B 561 58.247 19.738 8.724 1.00 0.00 N ATOM 1839 CA ILE B 561 58.019 18.294 8.920 1.00 0.00 C ATOM 1840 C ILE B 561 57.077 18.134 10.087 1.00 0.00 C ATOM 1841 O ILE B 561 57.097 18.904 11.025 1.00 0.00 O ATOM 1842 CB ILE B 561 59.345 17.623 9.244 1.00 0.00 C ATOM 1843 CG1 ILE B 561 60.236 17.782 8.027 1.00 0.00 C ATOM 1844 CG2 ILE B 561 59.139 16.131 9.551 1.00 0.00 C ATOM 1845 CD1 ILE B 561 61.565 17.076 8.260 1.00 0.00 C ATOM 0 H ILE B 561 59.026 20.123 9.258 1.00 0.00 H new ATOM 0 HA ILE B 561 57.597 17.841 8.023 1.00 0.00 H new ATOM 0 HB ILE B 561 59.796 18.081 10.124 1.00 0.00 H new ATOM 0 HG12 ILE B 561 59.743 17.366 7.148 1.00 0.00 H new ATOM 0 HG13 ILE B 561 60.407 18.840 7.826 1.00 0.00 H new ATOM 0 HG21 ILE B 561 60.100 15.671 9.780 1.00 0.00 H new ATOM 0 HG22 ILE B 561 58.472 16.024 10.407 1.00 0.00 H new ATOM 0 HG23 ILE B 561 58.698 15.639 8.684 1.00 0.00 H new ATOM 0 HD11 ILE B 561 62.199 17.195 7.381 1.00 0.00 H new ATOM 0 HD12 ILE B 561 62.061 17.512 9.127 1.00 0.00 H new ATOM 0 HD13 ILE B 561 61.387 16.015 8.438 1.00 0.00 H new ATOM 1857 N THR B 562 56.260 17.135 10.030 1.00 0.00 N ATOM 1858 CA THR B 562 55.286 16.877 11.131 1.00 0.00 C ATOM 1859 C THR B 562 55.572 15.520 11.742 1.00 0.00 C ATOM 1860 O THR B 562 56.015 14.603 11.083 1.00 0.00 O ATOM 1861 CB THR B 562 53.847 16.907 10.619 1.00 0.00 C ATOM 1862 OG1 THR B 562 53.665 18.038 9.777 1.00 0.00 O ATOM 1863 CG2 THR B 562 52.895 16.992 11.817 1.00 0.00 C ATOM 0 H THR B 562 56.218 16.470 9.258 1.00 0.00 H new ATOM 0 HA THR B 562 55.398 17.662 11.879 1.00 0.00 H new ATOM 0 HB THR B 562 53.637 16.002 10.048 1.00 0.00 H new ATOM 0 HG1 THR B 562 52.742 18.056 9.448 1.00 0.00 H new ATOM 0 HG21 THR B 562 51.865 17.014 11.462 1.00 0.00 H new ATOM 0 HG22 THR B 562 53.039 16.123 12.459 1.00 0.00 H new ATOM 0 HG23 THR B 562 53.103 17.900 12.383 1.00 0.00 H new ATOM 1871 N ALA B 563 55.338 15.408 13.011 1.00 0.00 N ATOM 1872 CA ALA B 563 55.599 14.144 13.740 1.00 0.00 C ATOM 1873 C ALA B 563 54.318 13.682 14.423 1.00 0.00 C ATOM 1874 O ALA B 563 53.269 13.596 13.817 1.00 0.00 O ATOM 1875 CB ALA B 563 56.683 14.408 14.773 1.00 0.00 C ATOM 0 H ALA B 563 54.966 16.160 13.591 1.00 0.00 H new ATOM 0 HA ALA B 563 55.927 13.363 13.054 1.00 0.00 H new ATOM 0 HB1 ALA B 563 56.893 13.491 15.323 1.00 0.00 H new ATOM 0 HB2 ALA B 563 57.590 14.745 14.271 1.00 0.00 H new ATOM 0 HB3 ALA B 563 56.345 15.178 15.467 1.00 0.00 H new ATOM 1881 N MET B 564 54.403 13.386 15.684 1.00 0.00 N ATOM 1882 CA MET B 564 53.213 12.930 16.453 1.00 0.00 C ATOM 1883 C MET B 564 52.203 14.070 16.537 1.00 0.00 C ATOM 1884 O MET B 564 51.438 14.161 17.473 1.00 0.00 O ATOM 1885 CB MET B 564 53.665 12.560 17.861 1.00 0.00 C ATOM 1886 CG MET B 564 55.036 11.885 17.798 1.00 0.00 C ATOM 1887 SD MET B 564 55.362 11.039 19.369 1.00 0.00 S ATOM 1888 CE MET B 564 55.931 9.458 18.694 1.00 0.00 C ATOM 0 H MET B 564 55.264 13.441 16.228 1.00 0.00 H new ATOM 0 HA MET B 564 52.754 12.071 15.964 1.00 0.00 H new ATOM 0 HB2 MET B 564 53.716 13.453 18.484 1.00 0.00 H new ATOM 0 HB3 MET B 564 52.939 11.890 18.323 1.00 0.00 H new ATOM 0 HG2 MET B 564 55.065 11.171 16.975 1.00 0.00 H new ATOM 0 HG3 MET B 564 55.811 12.627 17.604 1.00 0.00 H new ATOM 0 HE1 MET B 564 56.186 8.784 19.512 1.00 0.00 H new ATOM 0 HE2 MET B 564 55.139 9.014 18.091 1.00 0.00 H new ATOM 0 HE3 MET B 564 56.811 9.623 18.072 1.00 0.00 H new ATOM 1898 N ALA B 565 52.263 14.936 15.568 1.00 0.00 N ATOM 1899 CA ALA B 565 51.402 16.153 15.469 1.00 0.00 C ATOM 1900 C ALA B 565 52.304 17.343 15.736 1.00 0.00 C ATOM 1901 O ALA B 565 51.929 18.484 15.551 1.00 0.00 O ATOM 1902 CB ALA B 565 50.243 16.159 16.470 1.00 0.00 C ATOM 0 H ALA B 565 52.916 14.844 14.790 1.00 0.00 H new ATOM 0 HA ALA B 565 50.945 16.182 14.480 1.00 0.00 H new ATOM 0 HB1 ALA B 565 49.658 17.070 16.344 1.00 0.00 H new ATOM 0 HB2 ALA B 565 49.606 15.292 16.295 1.00 0.00 H new ATOM 0 HB3 ALA B 565 50.639 16.119 17.485 1.00 0.00 H new ATOM 1908 N LYS B 566 53.512 17.074 16.155 1.00 0.00 N ATOM 1909 CA LYS B 566 54.469 18.176 16.419 1.00 0.00 C ATOM 1910 C LYS B 566 55.084 18.596 15.092 1.00 0.00 C ATOM 1911 O LYS B 566 55.066 17.854 14.138 1.00 0.00 O ATOM 1912 CB LYS B 566 55.580 17.670 17.352 1.00 0.00 C ATOM 1913 CG LYS B 566 55.237 17.989 18.809 1.00 0.00 C ATOM 1914 CD LYS B 566 56.111 17.131 19.741 1.00 0.00 C ATOM 1915 CE LYS B 566 55.427 15.780 20.004 1.00 0.00 C ATOM 1916 NZ LYS B 566 56.453 14.769 20.384 1.00 0.00 N ATOM 0 H LYS B 566 53.873 16.135 16.325 1.00 0.00 H new ATOM 0 HA LYS B 566 53.959 19.018 16.887 1.00 0.00 H new ATOM 0 HB2 LYS B 566 55.706 16.594 17.228 1.00 0.00 H new ATOM 0 HB3 LYS B 566 56.529 18.135 17.084 1.00 0.00 H new ATOM 0 HG2 LYS B 566 55.403 19.047 19.010 1.00 0.00 H new ATOM 0 HG3 LYS B 566 54.182 17.790 18.997 1.00 0.00 H new ATOM 0 HD2 LYS B 566 57.090 16.971 19.290 1.00 0.00 H new ATOM 0 HD3 LYS B 566 56.276 17.654 20.683 1.00 0.00 H new ATOM 0 HE2 LYS B 566 54.690 15.883 20.800 1.00 0.00 H new ATOM 0 HE3 LYS B 566 54.891 15.452 19.113 1.00 0.00 H new ATOM 0 HZ1 LYS B 566 55.990 13.855 20.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 566 57.140 14.664 19.611 1.00 0.00 H new ATOM 0 HZ3 LYS B 566 56.946 15.081 21.245 1.00 0.00 H new ATOM 1930 N LYS B 567 55.649 19.770 15.036 1.00 0.00 N ATOM 1931 CA LYS B 567 56.296 20.246 13.784 1.00 0.00 C ATOM 1932 C LYS B 567 57.802 20.141 13.985 1.00 0.00 C ATOM 1933 O LYS B 567 58.260 19.809 15.060 1.00 0.00 O ATOM 1934 CB LYS B 567 55.883 21.696 13.516 1.00 0.00 C ATOM 1935 CG LYS B 567 54.422 21.914 13.949 1.00 0.00 C ATOM 1936 CD LYS B 567 53.473 20.979 13.173 1.00 0.00 C ATOM 1937 CE LYS B 567 53.514 21.317 11.681 1.00 0.00 C ATOM 1938 NZ LYS B 567 52.286 20.794 11.019 1.00 0.00 N ATOM 0 H LYS B 567 55.690 20.427 15.815 1.00 0.00 H new ATOM 0 HA LYS B 567 55.991 19.647 12.926 1.00 0.00 H new ATOM 0 HB2 LYS B 567 56.538 22.376 14.060 1.00 0.00 H new ATOM 0 HB3 LYS B 567 55.995 21.925 12.456 1.00 0.00 H new ATOM 0 HG2 LYS B 567 54.324 21.731 15.019 1.00 0.00 H new ATOM 0 HG3 LYS B 567 54.138 22.952 13.776 1.00 0.00 H new ATOM 0 HD2 LYS B 567 53.765 19.940 13.328 1.00 0.00 H new ATOM 0 HD3 LYS B 567 52.456 21.084 13.551 1.00 0.00 H new ATOM 0 HE2 LYS B 567 53.583 22.396 11.544 1.00 0.00 H new ATOM 0 HE3 LYS B 567 54.401 20.880 11.223 1.00 0.00 H new ATOM 0 HZ1 LYS B 567 51.994 21.446 10.263 1.00 0.00 H new ATOM 0 HZ2 LYS B 567 52.483 19.858 10.611 1.00 0.00 H new ATOM 0 HZ3 LYS B 567 51.522 20.712 11.720 1.00 0.00 H new ATOM 1952 N PHE B 568 58.590 20.396 12.982 1.00 0.00 N ATOM 1953 CA PHE B 568 60.060 20.271 13.191 1.00 0.00 C ATOM 1954 C PHE B 568 60.801 21.051 12.121 1.00 0.00 C ATOM 1955 O PHE B 568 60.498 20.959 10.949 1.00 0.00 O ATOM 1956 CB PHE B 568 60.461 18.770 13.105 1.00 0.00 C ATOM 1957 CG PHE B 568 60.963 18.269 14.445 1.00 0.00 C ATOM 1958 CD1 PHE B 568 62.286 18.514 14.833 1.00 0.00 C ATOM 1959 CD2 PHE B 568 60.105 17.560 15.295 1.00 0.00 C ATOM 1960 CE1 PHE B 568 62.751 18.050 16.069 1.00 0.00 C ATOM 1961 CE2 PHE B 568 60.569 17.097 16.531 1.00 0.00 C ATOM 1962 CZ PHE B 568 61.892 17.341 16.919 1.00 0.00 C ATOM 0 H PHE B 568 58.293 20.679 12.048 1.00 0.00 H new ATOM 0 HA PHE B 568 60.322 20.670 14.171 1.00 0.00 H new ATOM 0 HB2 PHE B 568 59.603 18.177 12.788 1.00 0.00 H new ATOM 0 HB3 PHE B 568 61.235 18.639 12.349 1.00 0.00 H new ATOM 0 HD1 PHE B 568 62.948 19.061 14.178 1.00 0.00 H new ATOM 0 HD2 PHE B 568 59.085 17.371 14.996 1.00 0.00 H new ATOM 0 HE1 PHE B 568 63.772 18.238 16.367 1.00 0.00 H new ATOM 0 HE2 PHE B 568 59.906 16.551 17.186 1.00 0.00 H new ATOM 0 HZ PHE B 568 62.250 16.983 17.873 1.00 0.00 H new ATOM 1972 N HIS B 569 61.810 21.775 12.506 1.00 0.00 N ATOM 1973 CA HIS B 569 62.604 22.501 11.490 1.00 0.00 C ATOM 1974 C HIS B 569 63.070 21.431 10.489 1.00 0.00 C ATOM 1975 O HIS B 569 63.808 20.544 10.870 1.00 0.00 O ATOM 1976 CB HIS B 569 63.835 23.123 12.155 1.00 0.00 C ATOM 1977 CG HIS B 569 63.517 24.474 12.727 1.00 0.00 C ATOM 1978 ND1 HIS B 569 63.634 24.730 14.081 1.00 0.00 N ATOM 1979 CD2 HIS B 569 63.138 25.657 12.147 1.00 0.00 C ATOM 1980 CE1 HIS B 569 63.339 26.026 14.272 1.00 0.00 C ATOM 1981 NE2 HIS B 569 63.027 26.640 13.126 1.00 0.00 N ATOM 0 H HIS B 569 62.115 21.893 13.472 1.00 0.00 H new ATOM 0 HA HIS B 569 62.025 23.292 11.013 1.00 0.00 H new ATOM 0 HB2 HIS B 569 64.196 22.466 12.946 1.00 0.00 H new ATOM 0 HB3 HIS B 569 64.639 23.214 11.425 1.00 0.00 H new ATOM 0 HD1 HIS B 569 63.896 24.058 14.802 1.00 0.00 H new ATOM 0 HD2 HIS B 569 62.954 25.804 11.093 1.00 0.00 H new ATOM 0 HE1 HIS B 569 63.352 26.514 15.235 1.00 0.00 H new ATOM 1988 N PRO B 570 62.648 21.457 9.249 1.00 0.00 N ATOM 1989 CA PRO B 570 63.081 20.402 8.303 1.00 0.00 C ATOM 1990 C PRO B 570 64.587 20.142 8.405 1.00 0.00 C ATOM 1991 O PRO B 570 65.098 19.169 7.894 1.00 0.00 O ATOM 1992 CB PRO B 570 62.678 21.009 6.954 1.00 0.00 C ATOM 1993 CG PRO B 570 61.572 22.034 7.241 1.00 0.00 C ATOM 1994 CD PRO B 570 61.744 22.500 8.693 1.00 0.00 C ATOM 0 HA PRO B 570 62.635 19.424 8.485 1.00 0.00 H new ATOM 0 HB2 PRO B 570 63.532 21.486 6.474 1.00 0.00 H new ATOM 0 HB3 PRO B 570 62.321 20.236 6.273 1.00 0.00 H new ATOM 0 HG2 PRO B 570 61.644 22.879 6.556 1.00 0.00 H new ATOM 0 HG3 PRO B 570 60.588 21.588 7.095 1.00 0.00 H new ATOM 0 HD2 PRO B 570 62.185 23.495 8.752 1.00 0.00 H new ATOM 0 HD3 PRO B 570 60.793 22.540 9.224 1.00 0.00 H new ATOM 2002 N GLU B 571 65.299 21.010 9.080 1.00 0.00 N ATOM 2003 CA GLU B 571 66.771 20.830 9.228 1.00 0.00 C ATOM 2004 C GLU B 571 67.089 20.148 10.564 1.00 0.00 C ATOM 2005 O GLU B 571 67.784 19.159 10.630 1.00 0.00 O ATOM 2006 CB GLU B 571 67.435 22.211 9.211 1.00 0.00 C ATOM 2007 CG GLU B 571 66.698 23.102 8.220 1.00 0.00 C ATOM 2008 CD GLU B 571 67.494 24.388 7.993 1.00 0.00 C ATOM 2009 OE1 GLU B 571 68.395 24.649 8.773 1.00 0.00 O ATOM 2010 OE2 GLU B 571 67.189 25.090 7.044 1.00 0.00 O ATOM 0 H GLU B 571 64.919 21.839 9.536 1.00 0.00 H new ATOM 0 HA GLU B 571 67.143 20.211 8.412 1.00 0.00 H new ATOM 0 HB2 GLU B 571 67.409 22.654 10.207 1.00 0.00 H new ATOM 0 HB3 GLU B 571 68.484 22.121 8.929 1.00 0.00 H new ATOM 0 HG2 GLU B 571 66.561 22.576 7.275 1.00 0.00 H new ATOM 0 HG3 GLU B 571 65.704 23.340 8.599 1.00 0.00 H new ATOM 2017 N HIS B 572 66.589 20.683 11.634 1.00 0.00 N ATOM 2018 CA HIS B 572 66.881 20.074 12.968 1.00 0.00 C ATOM 2019 C HIS B 572 66.427 18.616 12.984 1.00 0.00 C ATOM 2020 O HIS B 572 66.662 17.898 13.935 1.00 0.00 O ATOM 2021 CB HIS B 572 66.184 20.881 14.073 1.00 0.00 C ATOM 2022 CG HIS B 572 66.562 22.333 13.894 1.00 0.00 C ATOM 2023 ND1 HIS B 572 65.823 23.414 14.398 1.00 0.00 N ATOM 2024 CD2 HIS B 572 67.632 22.898 13.239 1.00 0.00 C ATOM 2025 CE1 HIS B 572 66.468 24.538 14.029 1.00 0.00 C ATOM 2026 NE2 HIS B 572 67.568 24.280 13.326 1.00 0.00 N ATOM 0 H HIS B 572 65.993 21.511 11.651 1.00 0.00 H new ATOM 0 HA HIS B 572 67.955 20.099 13.152 1.00 0.00 H new ATOM 0 HB2 HIS B 572 65.103 20.758 14.012 1.00 0.00 H new ATOM 0 HB3 HIS B 572 66.490 20.525 15.057 1.00 0.00 H new ATOM 0 HD2 HIS B 572 68.409 22.345 12.731 1.00 0.00 H new ATOM 0 HE1 HIS B 572 66.131 25.534 14.276 1.00 0.00 H new ATOM 0 HE2 HIS B 572 68.224 24.955 12.934 1.00 0.00 H new ATOM 2033 N PHE B 573 65.804 18.166 11.924 1.00 0.00 N ATOM 2034 CA PHE B 573 65.357 16.740 11.846 1.00 0.00 C ATOM 2035 C PHE B 573 65.900 16.146 10.543 1.00 0.00 C ATOM 2036 O PHE B 573 65.164 15.648 9.717 1.00 0.00 O ATOM 2037 CB PHE B 573 63.827 16.686 11.848 1.00 0.00 C ATOM 2038 CG PHE B 573 63.355 15.314 12.274 1.00 0.00 C ATOM 2039 CD1 PHE B 573 63.009 14.362 11.307 1.00 0.00 C ATOM 2040 CD2 PHE B 573 63.262 14.997 13.634 1.00 0.00 C ATOM 2041 CE1 PHE B 573 62.569 13.093 11.702 1.00 0.00 C ATOM 2042 CE2 PHE B 573 62.822 13.727 14.028 1.00 0.00 C ATOM 2043 CZ PHE B 573 62.476 12.775 13.062 1.00 0.00 C ATOM 0 H PHE B 573 65.584 18.729 11.103 1.00 0.00 H new ATOM 0 HA PHE B 573 65.728 16.173 12.700 1.00 0.00 H new ATOM 0 HB2 PHE B 573 63.430 17.442 12.525 1.00 0.00 H new ATOM 0 HB3 PHE B 573 63.446 16.917 10.853 1.00 0.00 H new ATOM 0 HD1 PHE B 573 63.082 14.607 10.258 1.00 0.00 H new ATOM 0 HD2 PHE B 573 63.529 15.731 14.379 1.00 0.00 H new ATOM 0 HE1 PHE B 573 62.301 12.359 10.957 1.00 0.00 H new ATOM 0 HE2 PHE B 573 62.750 13.482 15.077 1.00 0.00 H new ATOM 0 HZ PHE B 573 62.137 11.795 13.366 1.00 0.00 H new ATOM 2053 N VAL B 574 67.189 16.230 10.352 1.00 0.00 N ATOM 2054 CA VAL B 574 67.818 15.711 9.101 1.00 0.00 C ATOM 2055 C VAL B 574 68.326 14.275 9.292 1.00 0.00 C ATOM 2056 O VAL B 574 68.250 13.706 10.363 1.00 0.00 O ATOM 2057 CB VAL B 574 69.019 16.583 8.733 1.00 0.00 C ATOM 2058 CG1 VAL B 574 68.545 17.986 8.291 1.00 0.00 C ATOM 2059 CG2 VAL B 574 69.954 16.684 9.948 1.00 0.00 C ATOM 0 H VAL B 574 67.842 16.642 11.018 1.00 0.00 H new ATOM 0 HA VAL B 574 67.062 15.730 8.316 1.00 0.00 H new ATOM 0 HB VAL B 574 69.559 16.133 7.900 1.00 0.00 H new ATOM 0 HG11 VAL B 574 69.409 18.597 8.032 1.00 0.00 H new ATOM 0 HG12 VAL B 574 67.893 17.893 7.423 1.00 0.00 H new ATOM 0 HG13 VAL B 574 67.998 18.459 9.107 1.00 0.00 H new ATOM 0 HG21 VAL B 574 70.814 17.304 9.695 1.00 0.00 H new ATOM 0 HG22 VAL B 574 69.417 17.132 10.784 1.00 0.00 H new ATOM 0 HG23 VAL B 574 70.295 15.687 10.228 1.00 0.00 H new ATOM 2069 N CYS B 575 68.857 13.701 8.241 1.00 0.00 N ATOM 2070 CA CYS B 575 69.400 12.306 8.307 1.00 0.00 C ATOM 2071 C CYS B 575 70.823 12.370 8.836 1.00 0.00 C ATOM 2072 O CYS B 575 71.553 13.282 8.500 1.00 0.00 O ATOM 2073 CB CYS B 575 69.390 11.703 6.884 1.00 0.00 C ATOM 2074 SG CYS B 575 70.991 10.967 6.455 1.00 0.00 S ATOM 0 H CYS B 575 68.939 14.145 7.327 1.00 0.00 H new ATOM 0 HA CYS B 575 68.794 11.684 8.965 1.00 0.00 H new ATOM 0 HB2 CYS B 575 68.611 10.944 6.816 1.00 0.00 H new ATOM 0 HB3 CYS B 575 69.142 12.480 6.161 1.00 0.00 H new ATOM 0 HG CYS B 575 71.469 11.554 5.398 1.00 0.00 H new ATOM 2079 N ALA B 576 71.262 11.419 9.638 1.00 0.00 N ATOM 2080 CA ALA B 576 72.679 11.529 10.100 1.00 0.00 C ATOM 2081 C ALA B 576 73.598 10.732 9.147 1.00 0.00 C ATOM 2082 O ALA B 576 74.163 9.715 9.494 1.00 0.00 O ATOM 2083 CB ALA B 576 72.766 10.930 11.519 1.00 0.00 C ATOM 0 H ALA B 576 70.731 10.616 9.974 1.00 0.00 H new ATOM 0 HA ALA B 576 72.996 12.572 10.106 1.00 0.00 H new ATOM 0 HB1 ALA B 576 73.792 10.998 11.880 1.00 0.00 H new ATOM 0 HB2 ALA B 576 72.108 11.484 12.189 1.00 0.00 H new ATOM 0 HB3 ALA B 576 72.459 9.884 11.492 1.00 0.00 H new ATOM 2089 N PHE B 577 73.832 11.304 7.995 1.00 0.00 N ATOM 2090 CA PHE B 577 74.800 10.784 6.971 1.00 0.00 C ATOM 2091 C PHE B 577 75.202 12.039 6.230 1.00 0.00 C ATOM 2092 O PHE B 577 76.344 12.430 6.115 1.00 0.00 O ATOM 2093 CB PHE B 577 74.160 9.782 6.002 1.00 0.00 C ATOM 2094 CG PHE B 577 75.154 9.403 4.923 1.00 0.00 C ATOM 2095 CD1 PHE B 577 76.097 8.386 5.144 1.00 0.00 C ATOM 2096 CD2 PHE B 577 75.129 10.071 3.693 1.00 0.00 C ATOM 2097 CE1 PHE B 577 77.007 8.045 4.136 1.00 0.00 C ATOM 2098 CE2 PHE B 577 76.039 9.728 2.687 1.00 0.00 C ATOM 2099 CZ PHE B 577 76.979 8.715 2.909 1.00 0.00 C ATOM 0 H PHE B 577 73.364 12.162 7.704 1.00 0.00 H new ATOM 0 HA PHE B 577 75.627 10.241 7.428 1.00 0.00 H new ATOM 0 HB2 PHE B 577 73.841 8.892 6.544 1.00 0.00 H new ATOM 0 HB3 PHE B 577 73.268 10.217 5.551 1.00 0.00 H new ATOM 0 HD1 PHE B 577 76.120 7.867 6.091 1.00 0.00 H new ATOM 0 HD2 PHE B 577 74.405 10.854 3.520 1.00 0.00 H new ATOM 0 HE1 PHE B 577 77.732 7.263 4.307 1.00 0.00 H new ATOM 0 HE2 PHE B 577 76.016 10.245 1.739 1.00 0.00 H new ATOM 0 HZ PHE B 577 77.682 8.451 2.133 1.00 0.00 H new ATOM 2109 N CYS B 578 74.159 12.683 5.774 1.00 0.00 N ATOM 2110 CA CYS B 578 74.230 13.973 5.061 1.00 0.00 C ATOM 2111 C CYS B 578 73.256 14.873 5.815 1.00 0.00 C ATOM 2112 O CYS B 578 72.116 15.045 5.446 1.00 0.00 O ATOM 2113 CB CYS B 578 73.780 13.795 3.608 1.00 0.00 C ATOM 2114 SG CYS B 578 72.111 13.087 3.572 1.00 0.00 S ATOM 0 H CYS B 578 73.207 12.334 5.880 1.00 0.00 H new ATOM 0 HA CYS B 578 75.239 14.385 5.031 1.00 0.00 H new ATOM 0 HB2 CYS B 578 73.790 14.756 3.093 1.00 0.00 H new ATOM 0 HB3 CYS B 578 74.474 13.143 3.079 1.00 0.00 H new ATOM 0 HG CYS B 578 71.321 13.801 4.317 1.00 0.00 H new ATOM 2119 N LEU B 579 73.701 15.368 6.923 1.00 0.00 N ATOM 2120 CA LEU B 579 72.856 16.199 7.820 1.00 0.00 C ATOM 2121 C LEU B 579 72.193 17.384 7.100 1.00 0.00 C ATOM 2122 O LEU B 579 71.735 18.297 7.758 1.00 0.00 O ATOM 2123 CB LEU B 579 73.759 16.722 8.944 1.00 0.00 C ATOM 2124 CG LEU B 579 74.456 15.525 9.670 1.00 0.00 C ATOM 2125 CD1 LEU B 579 75.951 15.819 9.875 1.00 0.00 C ATOM 2126 CD2 LEU B 579 73.794 15.271 11.037 1.00 0.00 C ATOM 0 H LEU B 579 74.653 15.228 7.261 1.00 0.00 H new ATOM 0 HA LEU B 579 72.043 15.580 8.200 1.00 0.00 H new ATOM 0 HB2 LEU B 579 74.510 17.397 8.534 1.00 0.00 H new ATOM 0 HB3 LEU B 579 73.169 17.297 9.658 1.00 0.00 H new ATOM 0 HG LEU B 579 74.347 14.638 9.046 1.00 0.00 H new ATOM 0 HD11 LEU B 579 76.421 14.976 10.382 1.00 0.00 H new ATOM 0 HD12 LEU B 579 76.428 15.973 8.907 1.00 0.00 H new ATOM 0 HD13 LEU B 579 76.065 16.717 10.482 1.00 0.00 H new ATOM 0 HD21 LEU B 579 74.289 14.435 11.531 1.00 0.00 H new ATOM 0 HD22 LEU B 579 73.884 16.164 11.656 1.00 0.00 H new ATOM 0 HD23 LEU B 579 72.740 15.034 10.892 1.00 0.00 H new ATOM 2138 N LYS B 580 72.132 17.432 5.779 1.00 0.00 N ATOM 2139 CA LYS B 580 71.490 18.642 5.158 1.00 0.00 C ATOM 2140 C LYS B 580 69.967 18.485 5.025 1.00 0.00 C ATOM 2141 O LYS B 580 69.243 19.441 5.224 1.00 0.00 O ATOM 2142 CB LYS B 580 72.130 18.909 3.761 1.00 0.00 C ATOM 2143 CG LYS B 580 71.378 18.213 2.595 1.00 0.00 C ATOM 2144 CD LYS B 580 71.581 16.697 2.667 1.00 0.00 C ATOM 2145 CE LYS B 580 70.451 15.984 1.922 1.00 0.00 C ATOM 2146 NZ LYS B 580 70.084 16.763 0.706 1.00 0.00 N ATOM 0 H LYS B 580 72.481 16.722 5.135 1.00 0.00 H new ATOM 0 HA LYS B 580 71.668 19.492 5.816 1.00 0.00 H new ATOM 0 HB2 LYS B 580 72.152 19.983 3.579 1.00 0.00 H new ATOM 0 HB3 LYS B 580 73.165 18.566 3.772 1.00 0.00 H new ATOM 0 HG2 LYS B 580 70.315 18.448 2.646 1.00 0.00 H new ATOM 0 HG3 LYS B 580 71.742 18.591 1.640 1.00 0.00 H new ATOM 0 HD2 LYS B 580 72.543 16.429 2.229 1.00 0.00 H new ATOM 0 HD3 LYS B 580 71.603 16.373 3.708 1.00 0.00 H new ATOM 0 HE2 LYS B 580 70.765 14.979 1.641 1.00 0.00 H new ATOM 0 HE3 LYS B 580 69.583 15.877 2.573 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 69.613 16.137 0.022 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 69.439 17.535 0.970 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 70.943 17.161 0.276 1.00 0.00 H new ATOM 2160 N GLN B 581 69.437 17.320 4.717 1.00 0.00 N ATOM 2161 CA GLN B 581 67.942 17.238 4.628 1.00 0.00 C ATOM 2162 C GLN B 581 67.377 15.824 4.756 1.00 0.00 C ATOM 2163 O GLN B 581 67.881 14.873 4.194 1.00 0.00 O ATOM 2164 CB GLN B 581 67.455 17.877 3.333 1.00 0.00 C ATOM 2165 CG GLN B 581 65.942 18.117 3.414 1.00 0.00 C ATOM 2166 CD GLN B 581 65.651 19.305 4.327 1.00 0.00 C ATOM 2167 OE1 GLN B 581 65.384 20.394 3.861 1.00 0.00 O ATOM 2168 NE2 GLN B 581 65.693 19.141 5.617 1.00 0.00 N ATOM 0 H GLN B 581 69.949 16.458 4.531 1.00 0.00 H new ATOM 0 HA GLN B 581 67.567 17.789 5.490 1.00 0.00 H new ATOM 0 HB2 GLN B 581 67.974 18.820 3.163 1.00 0.00 H new ATOM 0 HB3 GLN B 581 67.686 17.230 2.487 1.00 0.00 H new ATOM 0 HG2 GLN B 581 65.542 18.306 2.418 1.00 0.00 H new ATOM 0 HG3 GLN B 581 65.444 17.225 3.794 1.00 0.00 H new ATOM 0 HE21 GLN B 581 65.917 18.226 6.008 1.00 0.00 H new ATOM 0 HE22 GLN B 581 65.502 19.928 6.238 1.00 0.00 H new ATOM 2177 N LEU B 582 66.272 15.719 5.446 1.00 0.00 N ATOM 2178 CA LEU B 582 65.557 14.414 5.590 1.00 0.00 C ATOM 2179 C LEU B 582 64.055 14.657 5.402 1.00 0.00 C ATOM 2180 O LEU B 582 63.603 15.783 5.342 1.00 0.00 O ATOM 2181 CB LEU B 582 65.824 13.862 6.980 1.00 0.00 C ATOM 2182 CG LEU B 582 65.376 12.395 7.128 1.00 0.00 C ATOM 2183 CD1 LEU B 582 66.085 11.498 6.087 1.00 0.00 C ATOM 2184 CD2 LEU B 582 65.712 11.927 8.559 1.00 0.00 C ATOM 0 H LEU B 582 65.825 16.500 5.927 1.00 0.00 H new ATOM 0 HA LEU B 582 65.906 13.699 4.845 1.00 0.00 H new ATOM 0 HB2 LEU B 582 66.889 13.937 7.199 1.00 0.00 H new ATOM 0 HB3 LEU B 582 65.303 14.474 7.717 1.00 0.00 H new ATOM 0 HG LEU B 582 64.303 12.319 6.952 1.00 0.00 H new ATOM 0 HD11 LEU B 582 65.754 10.467 6.210 1.00 0.00 H new ATOM 0 HD12 LEU B 582 65.838 11.841 5.082 1.00 0.00 H new ATOM 0 HD13 LEU B 582 67.164 11.553 6.234 1.00 0.00 H new ATOM 0 HD21 LEU B 582 65.402 10.889 8.685 1.00 0.00 H new ATOM 0 HD22 LEU B 582 66.786 12.008 8.725 1.00 0.00 H new ATOM 0 HD23 LEU B 582 65.185 12.553 9.280 1.00 0.00 H new ATOM 2196 N ASN B 583 63.281 13.610 5.307 1.00 0.00 N ATOM 2197 CA ASN B 583 61.806 13.768 5.118 1.00 0.00 C ATOM 2198 C ASN B 583 61.081 12.647 5.867 1.00 0.00 C ATOM 2199 O ASN B 583 61.382 11.483 5.702 1.00 0.00 O ATOM 2200 CB ASN B 583 61.475 13.682 3.621 1.00 0.00 C ATOM 2201 CG ASN B 583 61.754 15.022 2.948 1.00 0.00 C ATOM 2202 OD1 ASN B 583 62.012 16.009 3.607 1.00 0.00 O ATOM 2203 ND2 ASN B 583 61.709 15.094 1.651 1.00 0.00 N ATOM 0 H ASN B 583 63.607 12.645 5.352 1.00 0.00 H new ATOM 0 HA ASN B 583 61.485 14.734 5.506 1.00 0.00 H new ATOM 0 HB2 ASN B 583 62.071 12.899 3.153 1.00 0.00 H new ATOM 0 HB3 ASN B 583 60.428 13.409 3.487 1.00 0.00 H new ATOM 0 HD21 ASN B 583 61.891 15.982 1.183 1.00 0.00 H new ATOM 0 HD22 ASN B 583 61.492 14.263 1.101 1.00 0.00 H new ATOM 2210 N LYS B 584 60.124 12.993 6.683 1.00 0.00 N ATOM 2211 CA LYS B 584 59.374 11.961 7.443 1.00 0.00 C ATOM 2212 C LYS B 584 58.846 10.901 6.483 1.00 0.00 C ATOM 2213 O LYS B 584 58.440 9.828 6.881 1.00 0.00 O ATOM 2214 CB LYS B 584 58.182 12.627 8.127 1.00 0.00 C ATOM 2215 CG LYS B 584 57.295 13.347 7.062 1.00 0.00 C ATOM 2216 CD LYS B 584 55.865 12.797 7.094 1.00 0.00 C ATOM 2217 CE LYS B 584 55.149 13.285 8.357 1.00 0.00 C ATOM 2218 NZ LYS B 584 54.715 14.697 8.167 1.00 0.00 N ATOM 0 H LYS B 584 59.829 13.954 6.855 1.00 0.00 H new ATOM 0 HA LYS B 584 60.033 11.499 8.178 1.00 0.00 H new ATOM 0 HB2 LYS B 584 57.593 11.880 8.660 1.00 0.00 H new ATOM 0 HB3 LYS B 584 58.531 13.346 8.868 1.00 0.00 H new ATOM 0 HG2 LYS B 584 57.283 14.420 7.255 1.00 0.00 H new ATOM 0 HG3 LYS B 584 57.723 13.207 6.069 1.00 0.00 H new ATOM 0 HD2 LYS B 584 55.321 13.123 6.208 1.00 0.00 H new ATOM 0 HD3 LYS B 584 55.884 11.707 7.074 1.00 0.00 H new ATOM 0 HE2 LYS B 584 54.286 12.653 8.566 1.00 0.00 H new ATOM 0 HE3 LYS B 584 55.814 13.210 9.217 1.00 0.00 H new ATOM 0 HZ1 LYS B 584 55.021 15.267 8.981 1.00 0.00 H new ATOM 0 HZ2 LYS B 584 55.141 15.077 7.298 1.00 0.00 H new ATOM 0 HZ3 LYS B 584 53.679 14.734 8.089 1.00 0.00 H new ATOM 2232 N GLY B 585 58.833 11.206 5.218 1.00 0.00 N ATOM 2233 CA GLY B 585 58.318 10.237 4.218 1.00 0.00 C ATOM 2234 C GLY B 585 59.449 9.319 3.791 1.00 0.00 C ATOM 2235 O GLY B 585 59.235 8.231 3.295 1.00 0.00 O ATOM 0 H GLY B 585 59.160 12.092 4.832 1.00 0.00 H new ATOM 0 HA2 GLY B 585 57.501 9.655 4.644 1.00 0.00 H new ATOM 0 HA3 GLY B 585 57.916 10.766 3.354 1.00 0.00 H new ATOM 2239 N THR B 586 60.655 9.760 3.990 1.00 0.00 N ATOM 2240 CA THR B 586 61.842 8.941 3.615 1.00 0.00 C ATOM 2241 C THR B 586 62.831 8.966 4.769 1.00 0.00 C ATOM 2242 O THR B 586 64.027 8.857 4.580 1.00 0.00 O ATOM 2243 CB THR B 586 62.492 9.538 2.367 1.00 0.00 C ATOM 2244 OG1 THR B 586 63.391 10.569 2.753 1.00 0.00 O ATOM 2245 CG2 THR B 586 61.402 10.119 1.464 1.00 0.00 C ATOM 0 H THR B 586 60.875 10.667 4.403 1.00 0.00 H new ATOM 0 HA THR B 586 61.542 7.914 3.406 1.00 0.00 H new ATOM 0 HB THR B 586 63.039 8.764 1.828 1.00 0.00 H new ATOM 0 HG1 THR B 586 64.141 10.180 3.250 1.00 0.00 H new ATOM 0 HG21 THR B 586 61.859 10.547 0.571 1.00 0.00 H new ATOM 0 HG22 THR B 586 60.710 9.328 1.174 1.00 0.00 H new ATOM 0 HG23 THR B 586 60.860 10.896 2.002 1.00 0.00 H new ATOM 2253 N PHE B 587 62.342 9.116 5.973 1.00 0.00 N ATOM 2254 CA PHE B 587 63.268 9.155 7.147 1.00 0.00 C ATOM 2255 C PHE B 587 63.486 7.741 7.693 1.00 0.00 C ATOM 2256 O PHE B 587 62.620 7.130 8.286 1.00 0.00 O ATOM 2257 CB PHE B 587 62.711 10.084 8.244 1.00 0.00 C ATOM 2258 CG PHE B 587 61.690 9.375 9.122 1.00 0.00 C ATOM 2259 CD1 PHE B 587 60.577 8.746 8.547 1.00 0.00 C ATOM 2260 CD2 PHE B 587 61.859 9.351 10.515 1.00 0.00 C ATOM 2261 CE1 PHE B 587 59.640 8.097 9.360 1.00 0.00 C ATOM 2262 CE2 PHE B 587 60.921 8.701 11.326 1.00 0.00 C ATOM 2263 CZ PHE B 587 59.812 8.074 10.748 1.00 0.00 C ATOM 0 H PHE B 587 61.351 9.212 6.194 1.00 0.00 H new ATOM 0 HA PHE B 587 64.229 9.553 6.822 1.00 0.00 H new ATOM 0 HB2 PHE B 587 63.531 10.448 8.862 1.00 0.00 H new ATOM 0 HB3 PHE B 587 62.249 10.956 7.781 1.00 0.00 H new ATOM 0 HD1 PHE B 587 60.442 8.762 7.476 1.00 0.00 H new ATOM 0 HD2 PHE B 587 62.715 9.835 10.962 1.00 0.00 H new ATOM 0 HE1 PHE B 587 58.783 7.613 8.915 1.00 0.00 H new ATOM 0 HE2 PHE B 587 61.054 8.684 12.398 1.00 0.00 H new ATOM 0 HZ PHE B 587 59.089 7.572 11.373 1.00 0.00 H new ATOM 2273 N LYS B 588 64.662 7.230 7.485 1.00 0.00 N ATOM 2274 CA LYS B 588 65.019 5.869 7.968 1.00 0.00 C ATOM 2275 C LYS B 588 65.856 6.045 9.237 1.00 0.00 C ATOM 2276 O LYS B 588 66.395 7.104 9.489 1.00 0.00 O ATOM 2277 CB LYS B 588 65.825 5.164 6.852 1.00 0.00 C ATOM 2278 CG LYS B 588 65.326 3.728 6.543 1.00 0.00 C ATOM 2279 CD LYS B 588 63.792 3.603 6.351 1.00 0.00 C ATOM 2280 CE LYS B 588 63.180 4.831 5.664 1.00 0.00 C ATOM 2281 NZ LYS B 588 61.977 4.407 4.894 1.00 0.00 N ATOM 0 H LYS B 588 65.412 7.710 6.987 1.00 0.00 H new ATOM 0 HA LYS B 588 64.143 5.262 8.197 1.00 0.00 H new ATOM 0 HB2 LYS B 588 65.772 5.762 5.943 1.00 0.00 H new ATOM 0 HB3 LYS B 588 66.874 5.121 7.144 1.00 0.00 H new ATOM 0 HG2 LYS B 588 65.822 3.372 5.640 1.00 0.00 H new ATOM 0 HG3 LYS B 588 65.632 3.069 7.355 1.00 0.00 H new ATOM 0 HD2 LYS B 588 63.575 2.714 5.758 1.00 0.00 H new ATOM 0 HD3 LYS B 588 63.319 3.461 7.323 1.00 0.00 H new ATOM 0 HE2 LYS B 588 62.907 5.581 6.407 1.00 0.00 H new ATOM 0 HE3 LYS B 588 63.909 5.293 4.999 1.00 0.00 H new ATOM 0 HZ1 LYS B 588 61.556 5.234 4.425 1.00 0.00 H new ATOM 0 HZ2 LYS B 588 62.253 3.706 4.177 1.00 0.00 H new ATOM 0 HZ3 LYS B 588 61.281 3.985 5.542 1.00 0.00 H new ATOM 2295 N GLU B 589 65.950 5.035 10.048 1.00 0.00 N ATOM 2296 CA GLU B 589 66.733 5.178 11.310 1.00 0.00 C ATOM 2297 C GLU B 589 67.246 3.825 11.795 1.00 0.00 C ATOM 2298 O GLU B 589 66.697 2.778 11.514 1.00 0.00 O ATOM 2299 CB GLU B 589 65.837 5.823 12.385 1.00 0.00 C ATOM 2300 CG GLU B 589 66.362 5.534 13.800 1.00 0.00 C ATOM 2301 CD GLU B 589 65.650 6.445 14.801 1.00 0.00 C ATOM 2302 OE1 GLU B 589 66.113 7.558 14.992 1.00 0.00 O ATOM 2303 OE2 GLU B 589 64.655 6.015 15.360 1.00 0.00 O ATOM 0 H GLU B 589 65.524 4.121 9.898 1.00 0.00 H new ATOM 0 HA GLU B 589 67.599 5.812 11.119 1.00 0.00 H new ATOM 0 HB2 GLU B 589 65.792 6.900 12.225 1.00 0.00 H new ATOM 0 HB3 GLU B 589 64.820 5.444 12.288 1.00 0.00 H new ATOM 0 HG2 GLU B 589 66.191 4.489 14.057 1.00 0.00 H new ATOM 0 HG3 GLU B 589 67.438 5.700 13.842 1.00 0.00 H new ATOM 2310 N GLN B 590 68.281 3.882 12.571 1.00 0.00 N ATOM 2311 CA GLN B 590 68.876 2.674 13.174 1.00 0.00 C ATOM 2312 C GLN B 590 69.630 3.137 14.417 1.00 0.00 C ATOM 2313 O GLN B 590 70.162 4.229 14.461 1.00 0.00 O ATOM 2314 CB GLN B 590 69.816 1.974 12.188 1.00 0.00 C ATOM 2315 CG GLN B 590 71.015 2.861 11.877 1.00 0.00 C ATOM 2316 CD GLN B 590 71.878 2.197 10.800 1.00 0.00 C ATOM 2317 OE1 GLN B 590 72.889 2.738 10.397 1.00 0.00 O ATOM 2318 NE2 GLN B 590 71.521 1.039 10.315 1.00 0.00 N ATOM 0 H GLN B 590 68.755 4.750 12.820 1.00 0.00 H new ATOM 0 HA GLN B 590 68.106 1.947 13.434 1.00 0.00 H new ATOM 0 HB2 GLN B 590 70.155 1.027 12.609 1.00 0.00 H new ATOM 0 HB3 GLN B 590 69.280 1.740 11.268 1.00 0.00 H new ATOM 0 HG2 GLN B 590 70.678 3.839 11.535 1.00 0.00 H new ATOM 0 HG3 GLN B 590 71.604 3.024 12.780 1.00 0.00 H new ATOM 0 HE21 GLN B 590 70.673 0.584 10.653 1.00 0.00 H new ATOM 0 HE22 GLN B 590 72.090 0.589 9.598 1.00 0.00 H new ATOM 2327 N ASN B 591 69.657 2.338 15.428 1.00 0.00 N ATOM 2328 CA ASN B 591 70.349 2.737 16.685 1.00 0.00 C ATOM 2329 C ASN B 591 69.893 4.155 17.096 1.00 0.00 C ATOM 2330 O ASN B 591 70.583 4.837 17.821 1.00 0.00 O ATOM 2331 CB ASN B 591 71.895 2.680 16.514 1.00 0.00 C ATOM 2332 CG ASN B 591 72.272 2.299 15.088 1.00 0.00 C ATOM 2333 OD1 ASN B 591 73.161 2.886 14.503 1.00 0.00 O ATOM 2334 ND2 ASN B 591 71.634 1.331 14.504 1.00 0.00 N ATOM 0 H ASN B 591 69.227 1.413 15.447 1.00 0.00 H new ATOM 0 HA ASN B 591 70.081 2.034 17.474 1.00 0.00 H new ATOM 0 HB2 ASN B 591 72.328 3.649 16.762 1.00 0.00 H new ATOM 0 HB3 ASN B 591 72.315 1.955 17.211 1.00 0.00 H new ATOM 0 HD21 ASN B 591 71.878 1.061 13.551 1.00 0.00 H new ATOM 0 HD22 ASN B 591 70.888 0.840 14.998 1.00 0.00 H new ATOM 2341 N ASP B 592 68.719 4.575 16.654 1.00 0.00 N ATOM 2342 CA ASP B 592 68.163 5.929 17.028 1.00 0.00 C ATOM 2343 C ASP B 592 68.727 7.038 16.135 1.00 0.00 C ATOM 2344 O ASP B 592 68.317 8.177 16.224 1.00 0.00 O ATOM 2345 CB ASP B 592 68.496 6.266 18.487 1.00 0.00 C ATOM 2346 CG ASP B 592 68.397 5.007 19.354 1.00 0.00 C ATOM 2347 OD1 ASP B 592 69.181 4.887 20.281 1.00 0.00 O ATOM 2348 OD2 ASP B 592 67.539 4.186 19.075 1.00 0.00 O ATOM 0 H ASP B 592 68.115 4.028 16.041 1.00 0.00 H new ATOM 0 HA ASP B 592 67.083 5.875 16.892 1.00 0.00 H new ATOM 0 HB2 ASP B 592 69.501 6.683 18.552 1.00 0.00 H new ATOM 0 HB3 ASP B 592 67.810 7.027 18.858 1.00 0.00 H new ATOM 2353 N LYS B 593 69.671 6.732 15.306 1.00 0.00 N ATOM 2354 CA LYS B 593 70.276 7.775 14.438 1.00 0.00 C ATOM 2355 C LYS B 593 69.456 7.951 13.144 1.00 0.00 C ATOM 2356 O LYS B 593 69.387 7.037 12.347 1.00 0.00 O ATOM 2357 CB LYS B 593 71.664 7.293 14.067 1.00 0.00 C ATOM 2358 CG LYS B 593 72.493 7.057 15.337 1.00 0.00 C ATOM 2359 CD LYS B 593 73.985 7.180 15.006 1.00 0.00 C ATOM 2360 CE LYS B 593 74.818 6.996 16.280 1.00 0.00 C ATOM 2361 NZ LYS B 593 74.922 8.298 16.997 1.00 0.00 N ATOM 0 H LYS B 593 70.057 5.795 15.188 1.00 0.00 H new ATOM 0 HA LYS B 593 70.300 8.729 14.964 1.00 0.00 H new ATOM 0 HB2 LYS B 593 71.596 6.371 13.490 1.00 0.00 H new ATOM 0 HB3 LYS B 593 72.157 8.030 13.433 1.00 0.00 H new ATOM 0 HG2 LYS B 593 72.219 7.783 16.103 1.00 0.00 H new ATOM 0 HG3 LYS B 593 72.280 6.068 15.744 1.00 0.00 H new ATOM 0 HD2 LYS B 593 74.265 6.430 14.266 1.00 0.00 H new ATOM 0 HD3 LYS B 593 74.190 8.156 14.565 1.00 0.00 H new ATOM 0 HE2 LYS B 593 74.355 6.249 16.925 1.00 0.00 H new ATOM 0 HE3 LYS B 593 75.812 6.627 16.027 1.00 0.00 H new ATOM 0 HZ1 LYS B 593 75.487 8.174 17.861 1.00 0.00 H new ATOM 0 HZ2 LYS B 593 75.382 8.998 16.380 1.00 0.00 H new ATOM 0 HZ3 LYS B 593 73.970 8.632 17.250 1.00 0.00 H new ATOM 2375 N PRO B 594 68.852 9.104 12.896 1.00 0.00 N ATOM 2376 CA PRO B 594 68.081 9.292 11.634 1.00 0.00 C ATOM 2377 C PRO B 594 68.905 8.937 10.389 1.00 0.00 C ATOM 2378 O PRO B 594 70.116 8.851 10.438 1.00 0.00 O ATOM 2379 CB PRO B 594 67.754 10.789 11.683 1.00 0.00 C ATOM 2380 CG PRO B 594 67.883 11.241 13.135 1.00 0.00 C ATOM 2381 CD PRO B 594 68.870 10.283 13.819 1.00 0.00 C ATOM 0 HA PRO B 594 67.205 8.647 11.564 1.00 0.00 H new ATOM 0 HB2 PRO B 594 68.436 11.351 11.045 1.00 0.00 H new ATOM 0 HB3 PRO B 594 66.746 10.973 11.313 1.00 0.00 H new ATOM 0 HG2 PRO B 594 68.243 12.268 13.188 1.00 0.00 H new ATOM 0 HG3 PRO B 594 66.914 11.217 13.634 1.00 0.00 H new ATOM 0 HD2 PRO B 594 69.866 10.717 13.906 1.00 0.00 H new ATOM 0 HD3 PRO B 594 68.549 10.017 14.826 1.00 0.00 H new ATOM 2389 N TYR B 595 68.257 8.731 9.277 1.00 0.00 N ATOM 2390 CA TYR B 595 69.005 8.381 8.032 1.00 0.00 C ATOM 2391 C TYR B 595 68.065 8.401 6.825 1.00 0.00 C ATOM 2392 O TYR B 595 66.954 7.924 6.896 1.00 0.00 O ATOM 2393 CB TYR B 595 69.541 6.942 8.124 1.00 0.00 C ATOM 2394 CG TYR B 595 70.873 6.852 8.835 1.00 0.00 C ATOM 2395 CD1 TYR B 595 72.018 7.394 8.248 1.00 0.00 C ATOM 2396 CD2 TYR B 595 70.972 6.165 10.048 1.00 0.00 C ATOM 2397 CE1 TYR B 595 73.264 7.251 8.878 1.00 0.00 C ATOM 2398 CE2 TYR B 595 72.214 6.029 10.678 1.00 0.00 C ATOM 2399 CZ TYR B 595 73.358 6.569 10.091 1.00 0.00 C ATOM 2400 OH TYR B 595 74.583 6.427 10.711 1.00 0.00 O ATOM 0 H TYR B 595 67.244 8.789 9.174 1.00 0.00 H new ATOM 0 HA TYR B 595 69.812 9.105 7.922 1.00 0.00 H new ATOM 0 HB2 TYR B 595 68.813 6.322 8.647 1.00 0.00 H new ATOM 0 HB3 TYR B 595 69.644 6.533 7.119 1.00 0.00 H new ATOM 0 HD1 TYR B 595 71.945 7.923 7.309 1.00 0.00 H new ATOM 0 HD2 TYR B 595 70.089 5.738 10.500 1.00 0.00 H new ATOM 0 HE1 TYR B 595 74.150 7.669 8.424 1.00 0.00 H new ATOM 0 HE2 TYR B 595 72.287 5.505 11.620 1.00 0.00 H new ATOM 0 HH TYR B 595 74.471 5.927 11.547 1.00 0.00 H new ATOM 2410 N CYS B 596 68.533 8.832 5.689 1.00 0.00 N ATOM 2411 CA CYS B 596 67.674 8.724 4.489 1.00 0.00 C ATOM 2412 C CYS B 596 67.733 7.254 4.137 1.00 0.00 C ATOM 2413 O CYS B 596 68.699 6.589 4.460 1.00 0.00 O ATOM 2414 CB CYS B 596 68.225 9.547 3.315 1.00 0.00 C ATOM 2415 SG CYS B 596 68.697 11.206 3.858 1.00 0.00 S ATOM 0 H CYS B 596 69.454 9.246 5.544 1.00 0.00 H new ATOM 0 HA CYS B 596 66.668 9.097 4.680 1.00 0.00 H new ATOM 0 HB2 CYS B 596 69.089 9.041 2.884 1.00 0.00 H new ATOM 0 HB3 CYS B 596 67.473 9.617 2.530 1.00 0.00 H new ATOM 0 HG CYS B 596 69.702 11.125 4.678 1.00 0.00 H new ATOM 2420 N GLN B 597 66.757 6.710 3.494 1.00 0.00 N ATOM 2421 CA GLN B 597 66.869 5.272 3.174 1.00 0.00 C ATOM 2422 C GLN B 597 68.162 5.096 2.372 1.00 0.00 C ATOM 2423 O GLN B 597 69.046 4.355 2.747 1.00 0.00 O ATOM 2424 CB GLN B 597 65.612 4.822 2.393 1.00 0.00 C ATOM 2425 CG GLN B 597 65.895 3.628 1.462 1.00 0.00 C ATOM 2426 CD GLN B 597 65.774 2.319 2.242 1.00 0.00 C ATOM 2427 OE1 GLN B 597 65.402 1.300 1.694 1.00 0.00 O ATOM 2428 NE2 GLN B 597 66.075 2.308 3.506 1.00 0.00 N ATOM 0 H GLN B 597 65.907 7.179 3.182 1.00 0.00 H new ATOM 0 HA GLN B 597 66.918 4.648 4.067 1.00 0.00 H new ATOM 0 HB2 GLN B 597 64.827 4.551 3.099 1.00 0.00 H new ATOM 0 HB3 GLN B 597 65.236 5.658 1.803 1.00 0.00 H new ATOM 0 HG2 GLN B 597 65.192 3.631 0.629 1.00 0.00 H new ATOM 0 HG3 GLN B 597 66.895 3.717 1.036 1.00 0.00 H new ATOM 0 HE21 GLN B 597 66.387 3.165 3.963 1.00 0.00 H new ATOM 0 HE22 GLN B 597 65.999 1.443 4.041 1.00 0.00 H new ATOM 2437 N ASN B 598 68.277 5.792 1.279 1.00 0.00 N ATOM 2438 CA ASN B 598 69.504 5.689 0.445 1.00 0.00 C ATOM 2439 C ASN B 598 70.741 5.772 1.340 1.00 0.00 C ATOM 2440 O ASN B 598 71.778 5.219 1.033 1.00 0.00 O ATOM 2441 CB ASN B 598 69.515 6.837 -0.575 1.00 0.00 C ATOM 2442 CG ASN B 598 68.087 7.156 -0.994 1.00 0.00 C ATOM 2443 OD1 ASN B 598 67.654 8.289 -0.927 1.00 0.00 O ATOM 2444 ND2 ASN B 598 67.338 6.193 -1.428 1.00 0.00 N ATOM 0 H ASN B 598 67.568 6.433 0.924 1.00 0.00 H new ATOM 0 HA ASN B 598 69.514 4.735 -0.083 1.00 0.00 H new ATOM 0 HB2 ASN B 598 69.984 7.720 -0.140 1.00 0.00 H new ATOM 0 HB3 ASN B 598 70.107 6.558 -1.446 1.00 0.00 H new ATOM 0 HD21 ASN B 598 66.378 6.384 -1.716 1.00 0.00 H new ATOM 0 HD22 ASN B 598 67.708 5.244 -1.482 1.00 0.00 H new ATOM 2451 N CYS B 599 70.638 6.452 2.447 1.00 0.00 N ATOM 2452 CA CYS B 599 71.800 6.561 3.359 1.00 0.00 C ATOM 2453 C CYS B 599 71.862 5.314 4.238 1.00 0.00 C ATOM 2454 O CYS B 599 72.817 4.576 4.192 1.00 0.00 O ATOM 2455 CB CYS B 599 71.648 7.806 4.236 1.00 0.00 C ATOM 2456 SG CYS B 599 71.889 9.288 3.224 1.00 0.00 S ATOM 0 H CYS B 599 69.796 6.937 2.757 1.00 0.00 H new ATOM 0 HA CYS B 599 72.719 6.645 2.778 1.00 0.00 H new ATOM 0 HB2 CYS B 599 70.659 7.822 4.695 1.00 0.00 H new ATOM 0 HB3 CYS B 599 72.376 7.784 5.047 1.00 0.00 H new ATOM 0 HG CYS B 599 73.155 9.579 3.175 1.00 0.00 H new ATOM 2461 N PHE B 600 70.844 5.070 5.028 1.00 0.00 N ATOM 2462 CA PHE B 600 70.840 3.866 5.915 1.00 0.00 C ATOM 2463 C PHE B 600 71.058 2.607 5.072 1.00 0.00 C ATOM 2464 O PHE B 600 71.947 1.821 5.332 1.00 0.00 O ATOM 2465 CB PHE B 600 69.484 3.787 6.658 1.00 0.00 C ATOM 2466 CG PHE B 600 69.115 2.355 6.991 1.00 0.00 C ATOM 2467 CD1 PHE B 600 69.506 1.798 8.214 1.00 0.00 C ATOM 2468 CD2 PHE B 600 68.381 1.590 6.077 1.00 0.00 C ATOM 2469 CE1 PHE B 600 69.164 0.477 8.523 1.00 0.00 C ATOM 2470 CE2 PHE B 600 68.038 0.269 6.386 1.00 0.00 C ATOM 2471 CZ PHE B 600 68.430 -0.288 7.609 1.00 0.00 C ATOM 0 H PHE B 600 70.012 5.656 5.096 1.00 0.00 H new ATOM 0 HA PHE B 600 71.645 3.941 6.646 1.00 0.00 H new ATOM 0 HB2 PHE B 600 69.536 4.373 7.576 1.00 0.00 H new ATOM 0 HB3 PHE B 600 68.703 4.231 6.040 1.00 0.00 H new ATOM 0 HD1 PHE B 600 70.072 2.388 8.920 1.00 0.00 H new ATOM 0 HD2 PHE B 600 68.079 2.019 5.133 1.00 0.00 H new ATOM 0 HE1 PHE B 600 69.466 0.048 9.467 1.00 0.00 H new ATOM 0 HE2 PHE B 600 67.471 -0.321 5.681 1.00 0.00 H new ATOM 0 HZ PHE B 600 68.166 -1.308 7.847 1.00 0.00 H new ATOM 2481 N LEU B 601 70.240 2.397 4.080 1.00 0.00 N ATOM 2482 CA LEU B 601 70.391 1.179 3.244 1.00 0.00 C ATOM 2483 C LEU B 601 71.859 1.029 2.836 1.00 0.00 C ATOM 2484 O LEU B 601 72.414 -0.049 2.864 1.00 0.00 O ATOM 2485 CB LEU B 601 69.434 1.288 2.021 1.00 0.00 C ATOM 2486 CG LEU B 601 70.179 1.456 0.674 1.00 0.00 C ATOM 2487 CD1 LEU B 601 70.951 0.164 0.300 1.00 0.00 C ATOM 2488 CD2 LEU B 601 69.145 1.775 -0.415 1.00 0.00 C ATOM 0 H LEU B 601 69.475 3.016 3.813 1.00 0.00 H new ATOM 0 HA LEU B 601 70.116 0.281 3.798 1.00 0.00 H new ATOM 0 HB2 LEU B 601 68.811 0.395 1.975 1.00 0.00 H new ATOM 0 HB3 LEU B 601 68.765 2.136 2.166 1.00 0.00 H new ATOM 0 HG LEU B 601 70.904 2.265 0.763 1.00 0.00 H new ATOM 0 HD11 LEU B 601 71.465 0.309 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU B 601 71.681 -0.061 1.077 1.00 0.00 H new ATOM 0 HD13 LEU B 601 70.250 -0.666 0.210 1.00 0.00 H new ATOM 0 HD21 LEU B 601 69.651 1.897 -1.373 1.00 0.00 H new ATOM 0 HD22 LEU B 601 68.427 0.958 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU B 601 68.622 2.697 -0.161 1.00 0.00 H new ATOM 2500 N LYS B 602 72.488 2.100 2.458 1.00 0.00 N ATOM 2501 CA LYS B 602 73.914 2.012 2.047 1.00 0.00 C ATOM 2502 C LYS B 602 74.748 1.396 3.176 1.00 0.00 C ATOM 2503 O LYS B 602 75.816 0.865 2.952 1.00 0.00 O ATOM 2504 CB LYS B 602 74.439 3.423 1.751 1.00 0.00 C ATOM 2505 CG LYS B 602 75.810 3.363 1.059 1.00 0.00 C ATOM 2506 CD LYS B 602 75.641 3.222 -0.459 1.00 0.00 C ATOM 2507 CE LYS B 602 77.003 2.950 -1.105 1.00 0.00 C ATOM 2508 NZ LYS B 602 76.941 3.290 -2.554 1.00 0.00 N ATOM 0 H LYS B 602 72.079 3.033 2.415 1.00 0.00 H new ATOM 0 HA LYS B 602 73.993 1.386 1.158 1.00 0.00 H new ATOM 0 HB2 LYS B 602 73.729 3.954 1.116 1.00 0.00 H new ATOM 0 HB3 LYS B 602 74.520 3.988 2.680 1.00 0.00 H new ATOM 0 HG2 LYS B 602 76.378 4.266 1.285 1.00 0.00 H new ATOM 0 HG3 LYS B 602 76.383 2.521 1.447 1.00 0.00 H new ATOM 0 HD2 LYS B 602 74.952 2.408 -0.684 1.00 0.00 H new ATOM 0 HD3 LYS B 602 75.206 4.132 -0.873 1.00 0.00 H new ATOM 0 HE2 LYS B 602 77.775 3.542 -0.614 1.00 0.00 H new ATOM 0 HE3 LYS B 602 77.275 1.902 -0.977 1.00 0.00 H new ATOM 0 HZ1 LYS B 602 77.362 2.519 -3.110 1.00 0.00 H new ATOM 0 HZ2 LYS B 602 75.949 3.420 -2.838 1.00 0.00 H new ATOM 0 HZ3 LYS B 602 77.469 4.169 -2.727 1.00 0.00 H new ATOM 2522 N LEU B 603 74.287 1.489 4.395 1.00 0.00 N ATOM 2523 CA LEU B 603 75.080 0.943 5.540 1.00 0.00 C ATOM 2524 C LEU B 603 74.738 -0.530 5.803 1.00 0.00 C ATOM 2525 O LEU B 603 75.610 -1.376 5.811 1.00 0.00 O ATOM 2526 CB LEU B 603 74.781 1.773 6.796 1.00 0.00 C ATOM 2527 CG LEU B 603 74.583 3.241 6.400 1.00 0.00 C ATOM 2528 CD1 LEU B 603 74.406 4.113 7.653 1.00 0.00 C ATOM 2529 CD2 LEU B 603 75.799 3.730 5.598 1.00 0.00 C ATOM 0 H LEU B 603 73.397 1.918 4.649 1.00 0.00 H new ATOM 0 HA LEU B 603 76.139 1.003 5.289 1.00 0.00 H new ATOM 0 HB2 LEU B 603 73.887 1.395 7.291 1.00 0.00 H new ATOM 0 HB3 LEU B 603 75.602 1.684 7.508 1.00 0.00 H new ATOM 0 HG LEU B 603 73.686 3.321 5.786 1.00 0.00 H new ATOM 0 HD11 LEU B 603 74.266 5.152 7.356 1.00 0.00 H new ATOM 0 HD12 LEU B 603 73.533 3.775 8.211 1.00 0.00 H new ATOM 0 HD13 LEU B 603 75.293 4.031 8.282 1.00 0.00 H new ATOM 0 HD21 LEU B 603 75.655 4.774 5.318 1.00 0.00 H new ATOM 0 HD22 LEU B 603 76.698 3.639 6.208 1.00 0.00 H new ATOM 0 HD23 LEU B 603 75.908 3.125 4.698 1.00 0.00 H new ATOM 2541 N PHE B 604 73.486 -0.840 6.046 1.00 0.00 N ATOM 2542 CA PHE B 604 73.093 -2.260 6.343 1.00 0.00 C ATOM 2543 C PHE B 604 72.281 -2.851 5.179 1.00 0.00 C ATOM 2544 O PHE B 604 72.257 -4.051 4.988 1.00 0.00 O ATOM 2545 CB PHE B 604 72.250 -2.275 7.636 1.00 0.00 C ATOM 2546 CG PHE B 604 73.155 -2.385 8.847 1.00 0.00 C ATOM 2547 CD1 PHE B 604 73.807 -1.248 9.349 1.00 0.00 C ATOM 2548 CD2 PHE B 604 73.341 -3.627 9.468 1.00 0.00 C ATOM 2549 CE1 PHE B 604 74.640 -1.357 10.468 1.00 0.00 C ATOM 2550 CE2 PHE B 604 74.175 -3.734 10.587 1.00 0.00 C ATOM 2551 CZ PHE B 604 74.825 -2.599 11.086 1.00 0.00 C ATOM 0 H PHE B 604 72.716 -0.171 6.052 1.00 0.00 H new ATOM 0 HA PHE B 604 73.989 -2.867 6.472 1.00 0.00 H new ATOM 0 HB2 PHE B 604 71.653 -1.366 7.700 1.00 0.00 H new ATOM 0 HB3 PHE B 604 71.554 -3.113 7.616 1.00 0.00 H new ATOM 0 HD1 PHE B 604 73.666 -0.289 8.872 1.00 0.00 H new ATOM 0 HD2 PHE B 604 72.840 -4.503 9.083 1.00 0.00 H new ATOM 0 HE1 PHE B 604 75.141 -0.482 10.855 1.00 0.00 H new ATOM 0 HE2 PHE B 604 74.317 -4.692 11.065 1.00 0.00 H new ATOM 0 HZ PHE B 604 75.470 -2.682 11.948 1.00 0.00 H new ATOM 2561 N CYS B 605 71.615 -2.032 4.408 1.00 0.00 N ATOM 2562 CA CYS B 605 70.803 -2.562 3.264 1.00 0.00 C ATOM 2563 C CYS B 605 70.000 -3.788 3.716 1.00 0.00 C ATOM 2564 O CYS B 605 69.694 -3.870 4.895 1.00 0.00 O ATOM 2565 CB CYS B 605 71.729 -2.939 2.094 1.00 0.00 C ATOM 2566 SG CYS B 605 72.448 -4.583 2.356 1.00 0.00 S ATOM 2567 OXT CYS B 605 69.706 -4.621 2.876 1.00 0.00 O ATOM 0 H CYS B 605 71.596 -1.018 4.518 1.00 0.00 H new ATOM 0 HA CYS B 605 70.110 -1.789 2.931 1.00 0.00 H new ATOM 0 HB2 CYS B 605 71.168 -2.926 1.160 1.00 0.00 H new ATOM 0 HB3 CYS B 605 72.524 -2.199 1.999 1.00 0.00 H new ATOM 0 HG CYS B 605 72.586 -4.798 3.631 1.00 0.00 H new