USER MOD reduce.3.24.130724 H: found=0, std=0, add=1131, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1119 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 THR OG1 : rot -120:sc= 1.11 USER MOD Set 1.2: B 602 LYS NZ :NH3+ -130:sc= 1.2 (180deg=-0.00601) USER MOD Set 2.1: B 575 CYS SG : rot -124:sc= -0.542 USER MOD Set 2.2: B 578 CYS SG : rot 49:sc= 0.643! USER MOD Set 2.3: B 596 CYS SG : rot 180:sc= -2.04 USER MOD Set 2.4: B 599 CYS SG : rot 124:sc= 0.347 USER MOD Set 3.1: B 562 THR OG1 : rot 179:sc= 0.117 USER MOD Set 3.2: B 567 LYS NZ :NH3+ 141:sc= 0.12 (180deg=0) USER MOD Set 4.1: B 549 CYS SG : rot 16:sc= -0.786 USER MOD Set 4.2: B 552 CYS SG : rot 179:sc= 0.352 USER MOD Set 4.3: B 569 HIS : no HE2:sc= -6.57! C(o=-13!,f=-27!) USER MOD Set 4.4: B 572 HIS : no HD1:sc= -6.35! C(o=-13!,f=-21!) USER MOD Single : A 17 THR OG1 : rot 50:sc= -5.78! USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -2.91 X(o=-2.9,f=-3.2!) USER MOD Single : A 25 THR OG1 : rot 90:sc= -1.95 USER MOD Single : A 28 ASN : amide:sc= -2.37! K(o=-2.4!,f=-1.4) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -160:sc= -2.13 USER MOD Single : A 40 HIS : no HD1:sc= -0.125 X(o=-0.12,f=-0.59) USER MOD Single : A 45 MET CE :methyl 171:sc= -0.537 (180deg=-1.02) USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0485) USER MOD Single : A 51 LYS NZ :NH3+ -118:sc= -0.827 (180deg=-2.66!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= -0.218 (180deg=-0.963) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-4.4!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0873 USER MOD Single : A 74 LYS NZ :NH3+ -140:sc= -0.0778 (180deg=-1.27) USER MOD Single : A 76 HIS : no HD1:sc=-0.00879 X(o=-0.0088,f=-0.081) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 81 LYS NZ :NH3+ 177:sc= -2.53 (180deg=-2.73) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.92! X(o=-1.9!,f=-1.6) USER MOD Single : A 89 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.297) USER MOD Single : A 91 GLN : amide:sc= -6.7! C(o=-6.7!,f=-8!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : B 547 SER OG : rot 180:sc= 0 USER MOD Single : B 550 SER OG : rot 180:sc= 0 USER MOD Single : B 553 GLN : amide:sc= -3.28! K(o=-3.3!,f=-1.1) USER MOD Single : B 554 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 557 THR OG1 : rot 51:sc= 1.06 USER MOD Single : B 560 CYS SG : rot 40:sc= 0.317 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+ 157:sc= 0 (180deg=-0.642) USER MOD Single : B 581 GLN : amide:sc= -4.32! C(o=-4.3!,f=-2.3!) USER MOD Single : B 583 ASN : amide:sc= -2.08! C(o=-2.1!,f=-3.7!) USER MOD Single : B 584 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.213) USER MOD Single : B 586 THR OG1 : rot 180:sc= -0.514 USER MOD Single : B 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 590 GLN : amide:sc= -7.24! C(o=-7.2!,f=-8.7!) USER MOD Single : B 591 ASN : amide:sc= -12.4! C(o=-12!,f=-7.5!) USER MOD Single : B 593 LYS NZ :NH3+ -168:sc= 0.454 (180deg=-0.223!) USER MOD Single : B 595 TYR OH : rot 180:sc= 0 USER MOD Single : B 597 GLN : amide:sc= -4.61! K(o=-4.6!,f=-0.11) USER MOD Single : B 598 ASN : amide:sc= -0.714! C(o=-0.71!,f=-0.63!) USER MOD Single : B 605 CYS SG : rot 180:sc= -0.0253 USER MOD ----------------------------------------------------------------- ATOM 213 N GLY A 16 89.459 -13.950 14.486 1.00 0.00 N ATOM 214 CA GLY A 16 89.196 -13.738 13.026 1.00 0.00 C ATOM 215 C GLY A 16 88.881 -12.270 12.772 1.00 0.00 C ATOM 216 O GLY A 16 88.392 -11.909 11.722 1.00 0.00 O ATOM 0 HA2 GLY A 16 90.065 -14.040 12.442 1.00 0.00 H new ATOM 0 HA3 GLY A 16 88.362 -14.361 12.702 1.00 0.00 H new ATOM 220 N THR A 17 89.163 -11.416 13.721 1.00 0.00 N ATOM 221 CA THR A 17 88.878 -9.963 13.529 1.00 0.00 C ATOM 222 C THR A 17 90.146 -9.240 13.112 1.00 0.00 C ATOM 223 O THR A 17 91.165 -9.306 13.771 1.00 0.00 O ATOM 224 CB THR A 17 88.381 -9.320 14.826 1.00 0.00 C ATOM 225 OG1 THR A 17 88.560 -7.923 14.727 1.00 0.00 O ATOM 226 CG2 THR A 17 89.176 -9.848 16.017 1.00 0.00 C ATOM 0 H THR A 17 89.578 -11.661 14.620 1.00 0.00 H new ATOM 0 HA THR A 17 88.109 -9.879 12.761 1.00 0.00 H new ATOM 0 HB THR A 17 87.329 -9.562 14.974 1.00 0.00 H new ATOM 0 HG1 THR A 17 88.184 -7.604 13.880 1.00 0.00 H new ATOM 0 HG21 THR A 17 88.812 -9.382 16.933 1.00 0.00 H new ATOM 0 HG22 THR A 17 89.053 -10.929 16.086 1.00 0.00 H new ATOM 0 HG23 THR A 17 90.231 -9.611 15.884 1.00 0.00 H new ATOM 234 N TRP A 18 90.070 -8.524 12.035 1.00 0.00 N ATOM 235 CA TRP A 18 91.237 -7.739 11.547 1.00 0.00 C ATOM 236 C TRP A 18 90.783 -6.297 11.304 1.00 0.00 C ATOM 237 O TRP A 18 89.852 -6.046 10.566 1.00 0.00 O ATOM 238 CB TRP A 18 91.778 -8.347 10.249 1.00 0.00 C ATOM 239 CG TRP A 18 90.677 -8.877 9.378 1.00 0.00 C ATOM 240 CD1 TRP A 18 89.876 -9.941 9.642 1.00 0.00 C ATOM 241 CD2 TRP A 18 90.275 -8.389 8.076 1.00 0.00 C ATOM 242 NE1 TRP A 18 89.015 -10.123 8.561 1.00 0.00 N ATOM 243 CE2 TRP A 18 89.230 -9.194 7.582 1.00 0.00 C ATOM 244 CE3 TRP A 18 90.716 -7.334 7.283 1.00 0.00 C ATOM 245 CZ2 TRP A 18 88.651 -8.963 6.344 1.00 0.00 C ATOM 246 CZ3 TRP A 18 90.133 -7.097 6.039 1.00 0.00 C ATOM 247 CH2 TRP A 18 89.106 -7.912 5.564 1.00 0.00 C ATOM 0 H TRP A 18 89.233 -8.445 11.457 1.00 0.00 H new ATOM 0 HA TRP A 18 92.034 -7.758 12.290 1.00 0.00 H new ATOM 0 HB2 TRP A 18 92.342 -7.592 9.702 1.00 0.00 H new ATOM 0 HB3 TRP A 18 92.472 -9.153 10.487 1.00 0.00 H new ATOM 0 HD1 TRP A 18 89.902 -10.544 10.538 1.00 0.00 H new ATOM 0 HE1 TRP A 18 88.311 -10.859 8.507 1.00 0.00 H new ATOM 0 HE3 TRP A 18 91.514 -6.696 7.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 87.852 -9.597 5.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 90.481 -6.272 5.436 1.00 0.00 H new ATOM 0 HH2 TRP A 18 88.668 -7.725 4.595 1.00 0.00 H new ATOM 258 N GLU A 19 91.430 -5.347 11.927 1.00 0.00 N ATOM 259 CA GLU A 19 91.018 -3.922 11.733 1.00 0.00 C ATOM 260 C GLU A 19 91.522 -3.424 10.382 1.00 0.00 C ATOM 261 O GLU A 19 92.643 -3.681 9.989 1.00 0.00 O ATOM 262 CB GLU A 19 91.568 -3.017 12.870 1.00 0.00 C ATOM 263 CG GLU A 19 92.639 -3.756 13.661 1.00 0.00 C ATOM 264 CD GLU A 19 93.735 -4.249 12.715 1.00 0.00 C ATOM 265 OE1 GLU A 19 94.228 -3.444 11.942 1.00 0.00 O ATOM 266 OE2 GLU A 19 94.064 -5.422 12.779 1.00 0.00 O ATOM 0 H GLU A 19 92.219 -5.492 12.557 1.00 0.00 H new ATOM 0 HA GLU A 19 89.929 -3.872 11.760 1.00 0.00 H new ATOM 0 HB2 GLU A 19 91.984 -2.103 12.447 1.00 0.00 H new ATOM 0 HB3 GLU A 19 90.756 -2.720 13.533 1.00 0.00 H new ATOM 0 HG2 GLU A 19 93.067 -3.096 14.415 1.00 0.00 H new ATOM 0 HG3 GLU A 19 92.196 -4.600 14.190 1.00 0.00 H new ATOM 273 N LEU A 20 90.701 -2.698 9.673 1.00 0.00 N ATOM 274 CA LEU A 20 91.131 -2.167 8.353 1.00 0.00 C ATOM 275 C LEU A 20 91.875 -0.858 8.589 1.00 0.00 C ATOM 276 O LEU A 20 91.380 0.023 9.254 1.00 0.00 O ATOM 277 CB LEU A 20 89.886 -1.904 7.471 1.00 0.00 C ATOM 278 CG LEU A 20 90.104 -2.346 6.005 1.00 0.00 C ATOM 279 CD1 LEU A 20 91.505 -1.989 5.480 1.00 0.00 C ATOM 280 CD2 LEU A 20 89.910 -3.847 5.891 1.00 0.00 C ATOM 0 H LEU A 20 89.752 -2.451 9.953 1.00 0.00 H new ATOM 0 HA LEU A 20 91.778 -2.884 7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 20 89.030 -2.437 7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 20 89.643 -0.842 7.496 1.00 0.00 H new ATOM 0 HG LEU A 20 89.373 -1.810 5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 20 91.602 -2.322 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 20 91.647 -0.909 5.528 1.00 0.00 H new ATOM 0 HD13 LEU A 20 92.260 -2.482 6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 20 90.064 -4.156 4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 20 90.628 -4.357 6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 20 88.898 -4.108 6.201 1.00 0.00 H new ATOM 292 N SER A 21 93.041 -0.705 8.044 1.00 0.00 N ATOM 293 CA SER A 21 93.771 0.568 8.254 1.00 0.00 C ATOM 294 C SER A 21 93.173 1.618 7.338 1.00 0.00 C ATOM 295 O SER A 21 92.796 1.333 6.218 1.00 0.00 O ATOM 296 CB SER A 21 95.252 0.374 7.920 1.00 0.00 C ATOM 297 OG SER A 21 96.041 1.137 8.824 1.00 0.00 O ATOM 0 H SER A 21 93.518 -1.398 7.467 1.00 0.00 H new ATOM 0 HA SER A 21 93.684 0.884 9.294 1.00 0.00 H new ATOM 0 HB2 SER A 21 95.517 -0.681 7.989 1.00 0.00 H new ATOM 0 HB3 SER A 21 95.449 0.686 6.894 1.00 0.00 H new ATOM 0 HG SER A 21 96.990 1.014 8.614 1.00 0.00 H new ATOM 303 N VAL A 22 93.093 2.830 7.801 1.00 0.00 N ATOM 304 CA VAL A 22 92.530 3.915 6.954 1.00 0.00 C ATOM 305 C VAL A 22 93.395 5.159 7.085 1.00 0.00 C ATOM 306 O VAL A 22 94.037 5.384 8.087 1.00 0.00 O ATOM 307 CB VAL A 22 91.085 4.232 7.381 1.00 0.00 C ATOM 308 CG1 VAL A 22 90.653 5.595 6.823 1.00 0.00 C ATOM 309 CG2 VAL A 22 90.153 3.160 6.821 1.00 0.00 C ATOM 0 H VAL A 22 93.394 3.118 8.732 1.00 0.00 H new ATOM 0 HA VAL A 22 92.520 3.587 5.915 1.00 0.00 H new ATOM 0 HB VAL A 22 91.035 4.254 8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 22 89.629 5.807 7.132 1.00 0.00 H new ATOM 0 HG12 VAL A 22 91.316 6.371 7.205 1.00 0.00 H new ATOM 0 HG13 VAL A 22 90.707 5.576 5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 22 89.127 3.378 7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 22 90.220 3.151 5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 22 90.445 2.185 7.210 1.00 0.00 H new ATOM 319 N HIS A 23 93.388 5.972 6.068 1.00 0.00 N ATOM 320 CA HIS A 23 94.165 7.235 6.080 1.00 0.00 C ATOM 321 C HIS A 23 93.180 8.366 5.822 1.00 0.00 C ATOM 322 O HIS A 23 92.775 8.597 4.700 1.00 0.00 O ATOM 323 CB HIS A 23 95.198 7.188 4.949 1.00 0.00 C ATOM 324 CG HIS A 23 96.418 6.429 5.400 1.00 0.00 C ATOM 325 ND1 HIS A 23 96.385 5.071 5.675 1.00 0.00 N ATOM 326 CD2 HIS A 23 97.712 6.827 5.627 1.00 0.00 C ATOM 327 CE1 HIS A 23 97.625 4.703 6.047 1.00 0.00 C ATOM 328 NE2 HIS A 23 98.473 5.735 6.035 1.00 0.00 N ATOM 0 H HIS A 23 92.863 5.807 5.209 1.00 0.00 H new ATOM 0 HA HIS A 23 94.681 7.379 7.029 1.00 0.00 H new ATOM 0 HB2 HIS A 23 94.766 6.710 4.070 1.00 0.00 H new ATOM 0 HB3 HIS A 23 95.476 8.201 4.657 1.00 0.00 H new ATOM 0 HD2 HIS A 23 98.083 7.834 5.507 1.00 0.00 H new ATOM 0 HE1 HIS A 23 97.901 3.696 6.322 1.00 0.00 H new ATOM 0 HE2 HIS A 23 99.465 5.725 6.273 1.00 0.00 H new ATOM 336 N VAL A 24 92.786 9.081 6.835 1.00 0.00 N ATOM 337 CA VAL A 24 91.830 10.185 6.590 1.00 0.00 C ATOM 338 C VAL A 24 92.578 11.273 5.828 1.00 0.00 C ATOM 339 O VAL A 24 93.358 12.008 6.389 1.00 0.00 O ATOM 340 CB VAL A 24 91.283 10.718 7.928 1.00 0.00 C ATOM 341 CG1 VAL A 24 89.870 11.275 7.725 1.00 0.00 C ATOM 342 CG2 VAL A 24 91.220 9.572 8.940 1.00 0.00 C ATOM 0 H VAL A 24 93.079 8.951 7.803 1.00 0.00 H new ATOM 0 HA VAL A 24 90.976 9.842 6.006 1.00 0.00 H new ATOM 0 HB VAL A 24 91.939 11.507 8.294 1.00 0.00 H new ATOM 0 HG11 VAL A 24 89.487 11.651 8.674 1.00 0.00 H new ATOM 0 HG12 VAL A 24 89.900 12.087 6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 24 89.216 10.484 7.358 1.00 0.00 H new ATOM 0 HG21 VAL A 24 90.833 9.945 9.888 1.00 0.00 H new ATOM 0 HG22 VAL A 24 90.562 8.789 8.563 1.00 0.00 H new ATOM 0 HG23 VAL A 24 92.220 9.164 9.091 1.00 0.00 H new ATOM 352 N THR A 25 92.370 11.358 4.545 1.00 0.00 N ATOM 353 CA THR A 25 93.093 12.378 3.741 1.00 0.00 C ATOM 354 C THR A 25 92.477 13.755 3.983 1.00 0.00 C ATOM 355 O THR A 25 93.165 14.755 4.019 1.00 0.00 O ATOM 356 CB THR A 25 92.993 12.013 2.260 1.00 0.00 C ATOM 357 OG1 THR A 25 91.629 11.892 1.904 1.00 0.00 O ATOM 358 CG2 THR A 25 93.705 10.681 2.005 1.00 0.00 C ATOM 0 H THR A 25 91.729 10.764 4.018 1.00 0.00 H new ATOM 0 HA THR A 25 94.142 12.404 4.037 1.00 0.00 H new ATOM 0 HB THR A 25 93.465 12.792 1.661 1.00 0.00 H new ATOM 0 HG1 THR A 25 91.291 12.761 1.604 1.00 0.00 H new ATOM 0 HG21 THR A 25 93.631 10.425 0.948 1.00 0.00 H new ATOM 0 HG22 THR A 25 94.755 10.770 2.284 1.00 0.00 H new ATOM 0 HG23 THR A 25 93.237 9.898 2.601 1.00 0.00 H new ATOM 366 N ASP A 26 91.187 13.816 4.165 1.00 0.00 N ATOM 367 CA ASP A 26 90.538 15.130 4.424 1.00 0.00 C ATOM 368 C ASP A 26 90.825 15.536 5.869 1.00 0.00 C ATOM 369 O ASP A 26 90.148 16.365 6.444 1.00 0.00 O ATOM 370 CB ASP A 26 89.027 15.006 4.215 1.00 0.00 C ATOM 371 CG ASP A 26 88.386 16.393 4.275 1.00 0.00 C ATOM 372 OD1 ASP A 26 88.650 17.186 3.386 1.00 0.00 O ATOM 373 OD2 ASP A 26 87.640 16.640 5.209 1.00 0.00 O ATOM 0 H ASP A 26 90.556 13.015 4.146 1.00 0.00 H new ATOM 0 HA ASP A 26 90.930 15.883 3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 26 88.820 14.540 3.252 1.00 0.00 H new ATOM 0 HB3 ASP A 26 88.595 14.361 4.981 1.00 0.00 H new ATOM 378 N LEU A 27 91.829 14.942 6.459 1.00 0.00 N ATOM 379 CA LEU A 27 92.179 15.267 7.873 1.00 0.00 C ATOM 380 C LEU A 27 93.666 14.963 8.108 1.00 0.00 C ATOM 381 O LEU A 27 94.296 15.570 8.947 1.00 0.00 O ATOM 382 CB LEU A 27 91.309 14.401 8.811 1.00 0.00 C ATOM 383 CG LEU A 27 90.205 15.244 9.468 1.00 0.00 C ATOM 384 CD1 LEU A 27 89.103 14.318 9.987 1.00 0.00 C ATOM 385 CD2 LEU A 27 90.789 16.044 10.639 1.00 0.00 C ATOM 0 H LEU A 27 92.425 14.241 6.019 1.00 0.00 H new ATOM 0 HA LEU A 27 91.995 16.322 8.075 1.00 0.00 H new ATOM 0 HB2 LEU A 27 90.861 13.584 8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 27 91.935 13.950 9.581 1.00 0.00 H new ATOM 0 HG LEU A 27 89.792 15.933 8.732 1.00 0.00 H new ATOM 0 HD11 LEU A 27 88.318 14.913 10.454 1.00 0.00 H new ATOM 0 HD12 LEU A 27 88.683 13.751 9.156 1.00 0.00 H new ATOM 0 HD13 LEU A 27 89.522 13.630 10.721 1.00 0.00 H new ATOM 0 HD21 LEU A 27 90.002 16.640 11.101 1.00 0.00 H new ATOM 0 HD22 LEU A 27 91.205 15.358 11.377 1.00 0.00 H new ATOM 0 HD23 LEU A 27 91.576 16.704 10.273 1.00 0.00 H new ATOM 397 N ASN A 28 94.207 14.018 7.378 1.00 0.00 N ATOM 398 CA ASN A 28 95.647 13.632 7.531 1.00 0.00 C ATOM 399 C ASN A 28 95.810 12.651 8.692 1.00 0.00 C ATOM 400 O ASN A 28 96.912 12.390 9.134 1.00 0.00 O ATOM 401 CB ASN A 28 96.527 14.868 7.787 1.00 0.00 C ATOM 402 CG ASN A 28 97.969 14.545 7.407 1.00 0.00 C ATOM 403 OD1 ASN A 28 98.753 15.427 7.115 1.00 0.00 O ATOM 404 ND2 ASN A 28 98.344 13.302 7.402 1.00 0.00 N ATOM 0 H ASN A 28 93.702 13.487 6.668 1.00 0.00 H new ATOM 0 HA ASN A 28 95.965 13.159 6.602 1.00 0.00 H new ATOM 0 HB2 ASN A 28 96.165 15.714 7.203 1.00 0.00 H new ATOM 0 HB3 ASN A 28 96.471 15.158 8.836 1.00 0.00 H new ATOM 0 HD21 ASN A 28 99.303 13.060 7.152 1.00 0.00 H new ATOM 0 HD22 ASN A 28 97.680 12.568 7.648 1.00 0.00 H new ATOM 411 N ARG A 29 94.736 12.101 9.199 1.00 0.00 N ATOM 412 CA ARG A 29 94.855 11.147 10.325 1.00 0.00 C ATOM 413 C ARG A 29 94.881 9.725 9.796 1.00 0.00 C ATOM 414 O ARG A 29 94.807 9.476 8.609 1.00 0.00 O ATOM 415 CB ARG A 29 93.649 11.280 11.237 1.00 0.00 C ATOM 416 CG ARG A 29 93.618 12.676 11.845 1.00 0.00 C ATOM 417 CD ARG A 29 92.345 12.835 12.675 1.00 0.00 C ATOM 418 NE ARG A 29 92.539 12.191 14.004 1.00 0.00 N ATOM 419 CZ ARG A 29 93.316 12.748 14.892 1.00 0.00 C ATOM 420 NH1 ARG A 29 93.494 12.177 16.052 1.00 0.00 N ATOM 421 NH2 ARG A 29 93.914 13.876 14.621 1.00 0.00 N ATOM 0 H ARG A 29 93.784 12.276 8.877 1.00 0.00 H new ATOM 0 HA ARG A 29 95.773 11.367 10.869 1.00 0.00 H new ATOM 0 HB2 ARG A 29 92.733 11.097 10.674 1.00 0.00 H new ATOM 0 HB3 ARG A 29 93.693 10.530 12.026 1.00 0.00 H new ATOM 0 HG2 ARG A 29 94.496 12.832 12.471 1.00 0.00 H new ATOM 0 HG3 ARG A 29 93.649 13.429 11.058 1.00 0.00 H new ATOM 0 HD2 ARG A 29 92.109 13.892 12.801 1.00 0.00 H new ATOM 0 HD3 ARG A 29 91.501 12.380 12.157 1.00 0.00 H new ATOM 0 HE ARG A 29 92.064 11.314 14.220 1.00 0.00 H new ATOM 0 HH11 ARG A 29 93.026 11.296 16.264 1.00 0.00 H new ATOM 0 HH12 ARG A 29 94.101 12.612 16.747 1.00 0.00 H new ATOM 0 HH21 ARG A 29 93.774 14.323 13.715 1.00 0.00 H new ATOM 0 HH22 ARG A 29 94.521 14.311 15.316 1.00 0.00 H new ATOM 435 N ASP A 30 94.949 8.793 10.692 1.00 0.00 N ATOM 436 CA ASP A 30 94.943 7.358 10.314 1.00 0.00 C ATOM 437 C ASP A 30 94.051 6.626 11.304 1.00 0.00 C ATOM 438 O ASP A 30 94.275 6.665 12.497 1.00 0.00 O ATOM 439 CB ASP A 30 96.358 6.782 10.371 1.00 0.00 C ATOM 440 CG ASP A 30 97.144 7.228 9.136 1.00 0.00 C ATOM 441 OD1 ASP A 30 97.428 6.384 8.302 1.00 0.00 O ATOM 442 OD2 ASP A 30 97.450 8.405 9.046 1.00 0.00 O ATOM 0 H ASP A 30 95.010 8.967 11.695 1.00 0.00 H new ATOM 0 HA ASP A 30 94.573 7.241 9.296 1.00 0.00 H new ATOM 0 HB2 ASP A 30 96.862 7.119 11.277 1.00 0.00 H new ATOM 0 HB3 ASP A 30 96.317 5.694 10.415 1.00 0.00 H new ATOM 447 N VAL A 31 93.024 5.981 10.820 1.00 0.00 N ATOM 448 CA VAL A 31 92.080 5.263 11.730 1.00 0.00 C ATOM 449 C VAL A 31 92.053 3.774 11.407 1.00 0.00 C ATOM 450 O VAL A 31 92.315 3.355 10.297 1.00 0.00 O ATOM 451 CB VAL A 31 90.677 5.838 11.540 1.00 0.00 C ATOM 452 CG1 VAL A 31 89.774 5.337 12.668 1.00 0.00 C ATOM 453 CG2 VAL A 31 90.742 7.374 11.574 1.00 0.00 C ATOM 0 H VAL A 31 92.796 5.919 9.828 1.00 0.00 H new ATOM 0 HA VAL A 31 92.412 5.394 12.760 1.00 0.00 H new ATOM 0 HB VAL A 31 90.275 5.517 10.579 1.00 0.00 H new ATOM 0 HG11 VAL A 31 88.771 5.743 12.539 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.730 4.248 12.643 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.176 5.662 13.628 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.741 7.784 11.438 1.00 0.00 H new ATOM 0 HG22 VAL A 31 91.140 7.700 12.535 1.00 0.00 H new ATOM 0 HG23 VAL A 31 91.391 7.729 10.773 1.00 0.00 H new ATOM 463 N THR A 32 91.710 2.979 12.385 1.00 0.00 N ATOM 464 CA THR A 32 91.619 1.502 12.193 1.00 0.00 C ATOM 465 C THR A 32 90.267 1.049 12.760 1.00 0.00 C ATOM 466 O THR A 32 89.915 1.377 13.876 1.00 0.00 O ATOM 467 CB THR A 32 92.773 0.808 12.956 1.00 0.00 C ATOM 468 OG1 THR A 32 93.513 1.789 13.668 1.00 0.00 O ATOM 469 CG2 THR A 32 93.715 0.075 11.990 1.00 0.00 C ATOM 0 H THR A 32 91.485 3.298 13.327 1.00 0.00 H new ATOM 0 HA THR A 32 91.698 1.240 11.138 1.00 0.00 H new ATOM 0 HB THR A 32 92.344 0.077 13.641 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.245 1.357 14.155 1.00 0.00 H new ATOM 0 HG21 THR A 32 94.516 -0.403 12.555 1.00 0.00 H new ATOM 0 HG22 THR A 32 93.156 -0.683 11.441 1.00 0.00 H new ATOM 0 HG23 THR A 32 94.143 0.790 11.287 1.00 0.00 H new ATOM 477 N LEU A 33 89.512 0.313 11.991 1.00 0.00 N ATOM 478 CA LEU A 33 88.167 -0.154 12.443 1.00 0.00 C ATOM 479 C LEU A 33 88.156 -1.679 12.567 1.00 0.00 C ATOM 480 O LEU A 33 88.273 -2.391 11.596 1.00 0.00 O ATOM 481 CB LEU A 33 87.139 0.296 11.390 1.00 0.00 C ATOM 482 CG LEU A 33 86.594 1.709 11.701 1.00 0.00 C ATOM 483 CD1 LEU A 33 85.570 1.652 12.840 1.00 0.00 C ATOM 484 CD2 LEU A 33 87.740 2.657 12.091 1.00 0.00 C ATOM 0 H LEU A 33 89.773 0.010 11.053 1.00 0.00 H new ATOM 0 HA LEU A 33 87.925 0.268 13.418 1.00 0.00 H new ATOM 0 HB2 LEU A 33 87.601 0.292 10.403 1.00 0.00 H new ATOM 0 HB3 LEU A 33 86.314 -0.415 11.358 1.00 0.00 H new ATOM 0 HG LEU A 33 86.108 2.087 10.802 1.00 0.00 H new ATOM 0 HD11 LEU A 33 85.197 2.656 13.045 1.00 0.00 H new ATOM 0 HD12 LEU A 33 84.739 1.009 12.550 1.00 0.00 H new ATOM 0 HD13 LEU A 33 86.044 1.251 13.736 1.00 0.00 H new ATOM 0 HD21 LEU A 33 87.336 3.646 12.306 1.00 0.00 H new ATOM 0 HD22 LEU A 33 88.246 2.271 12.976 1.00 0.00 H new ATOM 0 HD23 LEU A 33 88.451 2.726 11.268 1.00 0.00 H new ATOM 496 N ARG A 34 87.985 -2.163 13.766 1.00 0.00 N ATOM 497 CA ARG A 34 87.943 -3.631 14.011 1.00 0.00 C ATOM 498 C ARG A 34 86.798 -4.228 13.207 1.00 0.00 C ATOM 499 O ARG A 34 85.639 -3.968 13.464 1.00 0.00 O ATOM 500 CB ARG A 34 87.688 -3.878 15.502 1.00 0.00 C ATOM 501 CG ARG A 34 87.854 -5.372 15.823 1.00 0.00 C ATOM 502 CD ARG A 34 89.338 -5.748 15.905 1.00 0.00 C ATOM 503 NE ARG A 34 89.494 -6.985 16.721 1.00 0.00 N ATOM 504 CZ ARG A 34 90.677 -7.333 17.149 1.00 0.00 C ATOM 505 NH1 ARG A 34 90.818 -8.395 17.895 1.00 0.00 N ATOM 506 NH2 ARG A 34 91.720 -6.617 16.833 1.00 0.00 N ATOM 0 H ARG A 34 87.870 -1.591 14.602 1.00 0.00 H new ATOM 0 HA ARG A 34 88.887 -4.089 13.715 1.00 0.00 H new ATOM 0 HB2 ARG A 34 88.383 -3.289 16.101 1.00 0.00 H new ATOM 0 HB3 ARG A 34 86.683 -3.550 15.767 1.00 0.00 H new ATOM 0 HG2 ARG A 34 87.363 -5.603 16.768 1.00 0.00 H new ATOM 0 HG3 ARG A 34 87.364 -5.971 15.055 1.00 0.00 H new ATOM 0 HD2 ARG A 34 89.739 -5.907 14.904 1.00 0.00 H new ATOM 0 HD3 ARG A 34 89.907 -4.932 16.351 1.00 0.00 H new ATOM 0 HE ARG A 34 88.680 -7.557 16.944 1.00 0.00 H new ATOM 0 HH11 ARG A 34 90.003 -8.955 18.145 1.00 0.00 H new ATOM 0 HH12 ARG A 34 91.743 -8.665 18.228 1.00 0.00 H new ATOM 0 HH21 ARG A 34 91.611 -5.786 16.252 1.00 0.00 H new ATOM 0 HH22 ARG A 34 92.645 -6.888 17.167 1.00 0.00 H new ATOM 520 N VAL A 35 87.119 -5.018 12.220 1.00 0.00 N ATOM 521 CA VAL A 35 86.061 -5.631 11.368 1.00 0.00 C ATOM 522 C VAL A 35 86.423 -7.069 11.022 1.00 0.00 C ATOM 523 O VAL A 35 87.370 -7.635 11.532 1.00 0.00 O ATOM 524 CB VAL A 35 85.934 -4.840 10.071 1.00 0.00 C ATOM 525 CG1 VAL A 35 85.337 -3.465 10.369 1.00 0.00 C ATOM 526 CG2 VAL A 35 87.315 -4.670 9.434 1.00 0.00 C ATOM 0 H VAL A 35 88.075 -5.267 11.965 1.00 0.00 H new ATOM 0 HA VAL A 35 85.121 -5.616 11.919 1.00 0.00 H new ATOM 0 HB VAL A 35 85.283 -5.378 9.382 1.00 0.00 H new ATOM 0 HG11 VAL A 35 85.246 -2.899 9.442 1.00 0.00 H new ATOM 0 HG12 VAL A 35 84.351 -3.586 10.818 1.00 0.00 H new ATOM 0 HG13 VAL A 35 85.987 -2.928 11.060 1.00 0.00 H new ATOM 0 HG21 VAL A 35 87.221 -4.104 8.507 1.00 0.00 H new ATOM 0 HG22 VAL A 35 87.969 -4.134 10.122 1.00 0.00 H new ATOM 0 HG23 VAL A 35 87.740 -5.651 9.219 1.00 0.00 H new ATOM 536 N THR A 36 85.663 -7.650 10.137 1.00 0.00 N ATOM 537 CA THR A 36 85.904 -9.043 9.700 1.00 0.00 C ATOM 538 C THR A 36 85.550 -9.112 8.217 1.00 0.00 C ATOM 539 O THR A 36 85.081 -8.151 7.641 1.00 0.00 O ATOM 540 CB THR A 36 84.985 -9.989 10.481 1.00 0.00 C ATOM 541 OG1 THR A 36 83.687 -9.420 10.550 1.00 0.00 O ATOM 542 CG2 THR A 36 85.508 -10.206 11.902 1.00 0.00 C ATOM 0 H THR A 36 84.864 -7.200 9.689 1.00 0.00 H new ATOM 0 HA THR A 36 86.940 -9.334 9.874 1.00 0.00 H new ATOM 0 HB THR A 36 84.956 -10.950 9.968 1.00 0.00 H new ATOM 0 HG1 THR A 36 83.189 -9.831 11.287 1.00 0.00 H new ATOM 0 HG21 THR A 36 84.839 -10.881 12.437 1.00 0.00 H new ATOM 0 HG22 THR A 36 86.506 -10.642 11.860 1.00 0.00 H new ATOM 0 HG23 THR A 36 85.552 -9.250 12.424 1.00 0.00 H new ATOM 550 N GLY A 37 85.754 -10.228 7.591 1.00 0.00 N ATOM 551 CA GLY A 37 85.413 -10.341 6.154 1.00 0.00 C ATOM 552 C GLY A 37 83.927 -10.618 6.018 1.00 0.00 C ATOM 553 O GLY A 37 83.493 -11.444 5.241 1.00 0.00 O ATOM 0 H GLY A 37 86.144 -11.071 8.013 1.00 0.00 H new ATOM 0 HA2 GLY A 37 85.673 -9.420 5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 37 85.989 -11.143 5.692 1.00 0.00 H new ATOM 557 N GLU A 38 83.137 -9.904 6.765 1.00 0.00 N ATOM 558 CA GLU A 38 81.662 -10.080 6.684 1.00 0.00 C ATOM 559 C GLU A 38 80.990 -8.727 6.906 1.00 0.00 C ATOM 560 O GLU A 38 79.779 -8.624 6.906 1.00 0.00 O ATOM 561 CB GLU A 38 81.183 -11.069 7.749 1.00 0.00 C ATOM 562 CG GLU A 38 81.757 -10.682 9.115 1.00 0.00 C ATOM 563 CD GLU A 38 80.892 -11.275 10.232 1.00 0.00 C ATOM 564 OE1 GLU A 38 81.322 -12.241 10.840 1.00 0.00 O ATOM 565 OE2 GLU A 38 79.814 -10.751 10.459 1.00 0.00 O ATOM 0 H GLU A 38 83.451 -9.201 7.433 1.00 0.00 H new ATOM 0 HA GLU A 38 81.401 -10.473 5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 38 80.094 -11.073 7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.496 -12.080 7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 38 82.781 -11.045 9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 38 81.794 -9.597 9.209 1.00 0.00 H new ATOM 572 N VAL A 39 81.758 -7.675 7.087 1.00 0.00 N ATOM 573 CA VAL A 39 81.136 -6.339 7.296 1.00 0.00 C ATOM 574 C VAL A 39 80.922 -5.660 5.949 1.00 0.00 C ATOM 575 O VAL A 39 81.799 -5.622 5.117 1.00 0.00 O ATOM 576 CB VAL A 39 82.028 -5.470 8.199 1.00 0.00 C ATOM 577 CG1 VAL A 39 82.652 -6.362 9.264 1.00 0.00 C ATOM 578 CG2 VAL A 39 83.142 -4.769 7.394 1.00 0.00 C ATOM 0 H VAL A 39 82.778 -7.690 7.098 1.00 0.00 H new ATOM 0 HA VAL A 39 80.172 -6.466 7.788 1.00 0.00 H new ATOM 0 HB VAL A 39 81.413 -4.694 8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 39 83.289 -5.762 9.914 1.00 0.00 H new ATOM 0 HG12 VAL A 39 81.864 -6.827 9.856 1.00 0.00 H new ATOM 0 HG13 VAL A 39 83.251 -7.137 8.785 1.00 0.00 H new ATOM 0 HG21 VAL A 39 83.751 -4.165 8.066 1.00 0.00 H new ATOM 0 HG22 VAL A 39 83.769 -5.519 6.911 1.00 0.00 H new ATOM 0 HG23 VAL A 39 82.694 -4.128 6.635 1.00 0.00 H new ATOM 588 N HIS A 40 79.779 -5.102 5.734 1.00 0.00 N ATOM 589 CA HIS A 40 79.547 -4.408 4.442 1.00 0.00 C ATOM 590 C HIS A 40 80.333 -3.093 4.458 1.00 0.00 C ATOM 591 O HIS A 40 80.506 -2.485 5.494 1.00 0.00 O ATOM 592 CB HIS A 40 78.050 -4.132 4.266 1.00 0.00 C ATOM 593 CG HIS A 40 77.261 -5.291 4.808 1.00 0.00 C ATOM 594 ND1 HIS A 40 77.358 -6.565 4.273 1.00 0.00 N ATOM 595 CD2 HIS A 40 76.358 -5.384 5.838 1.00 0.00 C ATOM 596 CE1 HIS A 40 76.534 -7.364 4.976 1.00 0.00 C ATOM 597 NE2 HIS A 40 75.900 -6.694 5.942 1.00 0.00 N ATOM 0 H HIS A 40 78.996 -5.092 6.387 1.00 0.00 H new ATOM 0 HA HIS A 40 79.881 -5.028 3.610 1.00 0.00 H new ATOM 0 HB2 HIS A 40 77.774 -3.215 4.787 1.00 0.00 H new ATOM 0 HB3 HIS A 40 77.818 -3.982 3.212 1.00 0.00 H new ATOM 0 HD2 HIS A 40 76.050 -4.565 6.471 1.00 0.00 H new ATOM 0 HE1 HIS A 40 76.402 -8.418 4.783 1.00 0.00 H new ATOM 0 HE2 HIS A 40 75.225 -7.063 6.612 1.00 0.00 H new ATOM 605 N ILE A 41 80.818 -2.650 3.329 1.00 0.00 N ATOM 606 CA ILE A 41 81.591 -1.371 3.306 1.00 0.00 C ATOM 607 C ILE A 41 80.804 -0.303 4.059 1.00 0.00 C ATOM 608 O ILE A 41 81.309 0.359 4.944 1.00 0.00 O ATOM 609 CB ILE A 41 81.774 -0.912 1.865 1.00 0.00 C ATOM 610 CG1 ILE A 41 82.546 -1.968 1.074 1.00 0.00 C ATOM 611 CG2 ILE A 41 82.548 0.406 1.834 1.00 0.00 C ATOM 612 CD1 ILE A 41 82.433 -1.653 -0.419 1.00 0.00 C ATOM 0 H ILE A 41 80.714 -3.114 2.426 1.00 0.00 H new ATOM 0 HA ILE A 41 82.564 -1.526 3.772 1.00 0.00 H new ATOM 0 HB ILE A 41 80.792 -0.769 1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 41 83.592 -1.976 1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 41 82.146 -2.961 1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 41 82.676 0.729 0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 41 81.995 1.166 2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 41 83.526 0.264 2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 41 82.981 -2.402 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 41 81.384 -1.666 -0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 41 82.853 -0.667 -0.616 1.00 0.00 H new ATOM 624 N GLY A 42 79.562 -0.142 3.707 1.00 0.00 N ATOM 625 CA GLY A 42 78.715 0.871 4.389 1.00 0.00 C ATOM 626 C GLY A 42 78.699 0.563 5.875 1.00 0.00 C ATOM 627 O GLY A 42 78.257 1.353 6.687 1.00 0.00 O ATOM 0 H GLY A 42 79.094 -0.672 2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 42 79.107 1.873 4.214 1.00 0.00 H new ATOM 0 HA3 GLY A 42 77.702 0.851 3.987 1.00 0.00 H new ATOM 631 N GLY A 43 79.199 -0.580 6.235 1.00 0.00 N ATOM 632 CA GLY A 43 79.242 -0.954 7.669 1.00 0.00 C ATOM 633 C GLY A 43 80.359 -0.154 8.329 1.00 0.00 C ATOM 634 O GLY A 43 80.328 0.137 9.506 1.00 0.00 O ATOM 0 H GLY A 43 79.582 -1.275 5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 43 78.286 -0.741 8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 43 79.422 -2.023 7.779 1.00 0.00 H new ATOM 638 N VAL A 44 81.338 0.216 7.554 1.00 0.00 N ATOM 639 CA VAL A 44 82.472 1.019 8.086 1.00 0.00 C ATOM 640 C VAL A 44 82.054 2.492 8.070 1.00 0.00 C ATOM 641 O VAL A 44 82.284 3.220 9.015 1.00 0.00 O ATOM 642 CB VAL A 44 83.711 0.772 7.192 1.00 0.00 C ATOM 643 CG1 VAL A 44 84.608 2.016 7.140 1.00 0.00 C ATOM 644 CG2 VAL A 44 84.524 -0.396 7.758 1.00 0.00 C ATOM 0 H VAL A 44 81.401 -0.007 6.561 1.00 0.00 H new ATOM 0 HA VAL A 44 82.725 0.735 9.107 1.00 0.00 H new ATOM 0 HB VAL A 44 83.364 0.543 6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 44 85.471 1.816 6.505 1.00 0.00 H new ATOM 0 HG12 VAL A 44 84.044 2.854 6.731 1.00 0.00 H new ATOM 0 HG13 VAL A 44 84.947 2.263 8.146 1.00 0.00 H new ATOM 0 HG21 VAL A 44 85.397 -0.570 7.129 1.00 0.00 H new ATOM 0 HG22 VAL A 44 84.849 -0.156 8.771 1.00 0.00 H new ATOM 0 HG23 VAL A 44 83.906 -1.294 7.778 1.00 0.00 H new ATOM 654 N MET A 45 81.423 2.928 7.006 1.00 0.00 N ATOM 655 CA MET A 45 80.963 4.347 6.930 1.00 0.00 C ATOM 656 C MET A 45 80.295 4.704 8.258 1.00 0.00 C ATOM 657 O MET A 45 80.401 5.809 8.756 1.00 0.00 O ATOM 658 CB MET A 45 79.924 4.483 5.804 1.00 0.00 C ATOM 659 CG MET A 45 80.600 4.504 4.420 1.00 0.00 C ATOM 660 SD MET A 45 79.545 5.397 3.240 1.00 0.00 S ATOM 661 CE MET A 45 78.236 4.156 3.048 1.00 0.00 C ATOM 0 H MET A 45 81.207 2.360 6.187 1.00 0.00 H new ATOM 0 HA MET A 45 81.808 5.007 6.733 1.00 0.00 H new ATOM 0 HB2 MET A 45 79.219 3.653 5.854 1.00 0.00 H new ATOM 0 HB3 MET A 45 79.349 5.399 5.945 1.00 0.00 H new ATOM 0 HG2 MET A 45 81.576 4.985 4.488 1.00 0.00 H new ATOM 0 HG3 MET A 45 80.771 3.485 4.072 1.00 0.00 H new ATOM 0 HE1 MET A 45 77.409 4.584 2.482 1.00 0.00 H new ATOM 0 HE2 MET A 45 78.631 3.290 2.516 1.00 0.00 H new ATOM 0 HE3 MET A 45 77.881 3.847 4.031 1.00 0.00 H new ATOM 671 N LEU A 46 79.606 3.756 8.825 1.00 0.00 N ATOM 672 CA LEU A 46 78.912 3.991 10.118 1.00 0.00 C ATOM 673 C LEU A 46 79.935 4.077 11.257 1.00 0.00 C ATOM 674 O LEU A 46 80.096 5.102 11.886 1.00 0.00 O ATOM 675 CB LEU A 46 77.963 2.812 10.390 1.00 0.00 C ATOM 676 CG LEU A 46 76.928 3.197 11.482 1.00 0.00 C ATOM 677 CD1 LEU A 46 75.634 3.707 10.838 1.00 0.00 C ATOM 678 CD2 LEU A 46 76.596 1.973 12.345 1.00 0.00 C ATOM 0 H LEU A 46 79.493 2.817 8.442 1.00 0.00 H new ATOM 0 HA LEU A 46 78.355 4.927 10.065 1.00 0.00 H new ATOM 0 HB2 LEU A 46 77.447 2.532 9.472 1.00 0.00 H new ATOM 0 HB3 LEU A 46 78.535 1.942 10.712 1.00 0.00 H new ATOM 0 HG LEU A 46 77.362 3.983 12.100 1.00 0.00 H new ATOM 0 HD11 LEU A 46 74.920 3.972 11.617 1.00 0.00 H new ATOM 0 HD12 LEU A 46 75.852 4.586 10.231 1.00 0.00 H new ATOM 0 HD13 LEU A 46 75.209 2.926 10.207 1.00 0.00 H new ATOM 0 HD21 LEU A 46 75.870 2.252 13.108 1.00 0.00 H new ATOM 0 HD22 LEU A 46 76.178 1.187 11.716 1.00 0.00 H new ATOM 0 HD23 LEU A 46 77.504 1.609 12.825 1.00 0.00 H new ATOM 690 N LYS A 47 80.607 2.995 11.536 1.00 0.00 N ATOM 691 CA LYS A 47 81.599 2.982 12.652 1.00 0.00 C ATOM 692 C LYS A 47 82.610 4.126 12.511 1.00 0.00 C ATOM 693 O LYS A 47 82.796 4.907 13.422 1.00 0.00 O ATOM 694 CB LYS A 47 82.359 1.654 12.655 1.00 0.00 C ATOM 695 CG LYS A 47 81.375 0.482 12.596 1.00 0.00 C ATOM 696 CD LYS A 47 82.151 -0.835 12.452 1.00 0.00 C ATOM 697 CE LYS A 47 81.211 -1.946 11.976 1.00 0.00 C ATOM 698 NZ LYS A 47 80.213 -2.246 13.041 1.00 0.00 N ATOM 0 H LYS A 47 80.512 2.111 11.036 1.00 0.00 H new ATOM 0 HA LYS A 47 81.051 3.108 13.586 1.00 0.00 H new ATOM 0 HB2 LYS A 47 83.037 1.613 11.802 1.00 0.00 H new ATOM 0 HB3 LYS A 47 82.972 1.579 13.553 1.00 0.00 H new ATOM 0 HG2 LYS A 47 80.766 0.460 13.499 1.00 0.00 H new ATOM 0 HG3 LYS A 47 80.693 0.608 11.755 1.00 0.00 H new ATOM 0 HD2 LYS A 47 82.968 -0.710 11.742 1.00 0.00 H new ATOM 0 HD3 LYS A 47 82.598 -1.110 13.407 1.00 0.00 H new ATOM 0 HE2 LYS A 47 80.702 -1.639 11.062 1.00 0.00 H new ATOM 0 HE3 LYS A 47 81.783 -2.842 11.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 79.630 -3.057 12.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 80.708 -2.474 13.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 79.604 -1.416 13.189 1.00 0.00 H new ATOM 712 N LEU A 48 83.290 4.217 11.398 1.00 0.00 N ATOM 713 CA LEU A 48 84.310 5.300 11.235 1.00 0.00 C ATOM 714 C LEU A 48 83.732 6.638 11.730 1.00 0.00 C ATOM 715 O LEU A 48 84.292 7.280 12.596 1.00 0.00 O ATOM 716 CB LEU A 48 84.728 5.404 9.738 1.00 0.00 C ATOM 717 CG LEU A 48 86.249 5.215 9.586 1.00 0.00 C ATOM 718 CD1 LEU A 48 86.627 5.060 8.120 1.00 0.00 C ATOM 719 CD2 LEU A 48 86.991 6.426 10.155 1.00 0.00 C ATOM 0 H LEU A 48 83.186 3.593 10.598 1.00 0.00 H new ATOM 0 HA LEU A 48 85.193 5.062 11.829 1.00 0.00 H new ATOM 0 HB2 LEU A 48 84.202 4.648 9.155 1.00 0.00 H new ATOM 0 HB3 LEU A 48 84.435 6.375 9.340 1.00 0.00 H new ATOM 0 HG LEU A 48 86.531 4.315 10.132 1.00 0.00 H new ATOM 0 HD11 LEU A 48 87.706 4.928 8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 48 86.120 4.189 7.704 1.00 0.00 H new ATOM 0 HD13 LEU A 48 86.326 5.952 7.570 1.00 0.00 H new ATOM 0 HD21 LEU A 48 88.065 6.281 10.042 1.00 0.00 H new ATOM 0 HD22 LEU A 48 86.688 7.324 9.617 1.00 0.00 H new ATOM 0 HD23 LEU A 48 86.749 6.537 11.212 1.00 0.00 H new ATOM 731 N VAL A 49 82.625 7.062 11.189 1.00 0.00 N ATOM 732 CA VAL A 49 82.030 8.357 11.639 1.00 0.00 C ATOM 733 C VAL A 49 81.689 8.290 13.133 1.00 0.00 C ATOM 734 O VAL A 49 81.997 9.193 13.885 1.00 0.00 O ATOM 735 CB VAL A 49 80.754 8.642 10.845 1.00 0.00 C ATOM 736 CG1 VAL A 49 80.073 9.899 11.394 1.00 0.00 C ATOM 737 CG2 VAL A 49 81.106 8.860 9.372 1.00 0.00 C ATOM 0 H VAL A 49 82.107 6.574 10.459 1.00 0.00 H new ATOM 0 HA VAL A 49 82.754 9.154 11.470 1.00 0.00 H new ATOM 0 HB VAL A 49 80.077 7.793 10.938 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.165 10.098 10.826 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.819 9.746 12.443 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.750 10.748 11.305 1.00 0.00 H new ATOM 0 HG21 VAL A 49 80.196 9.063 8.807 1.00 0.00 H new ATOM 0 HG22 VAL A 49 81.786 9.707 9.282 1.00 0.00 H new ATOM 0 HG23 VAL A 49 81.587 7.965 8.977 1.00 0.00 H new ATOM 747 N GLU A 50 81.044 7.236 13.568 1.00 0.00 N ATOM 748 CA GLU A 50 80.672 7.126 15.014 1.00 0.00 C ATOM 749 C GLU A 50 81.861 7.527 15.888 1.00 0.00 C ATOM 750 O GLU A 50 81.707 8.171 16.907 1.00 0.00 O ATOM 751 CB GLU A 50 80.282 5.679 15.346 1.00 0.00 C ATOM 752 CG GLU A 50 78.884 5.368 14.803 1.00 0.00 C ATOM 753 CD GLU A 50 77.837 6.174 15.574 1.00 0.00 C ATOM 754 OE1 GLU A 50 77.809 6.063 16.789 1.00 0.00 O ATOM 755 OE2 GLU A 50 77.081 6.888 14.937 1.00 0.00 O ATOM 0 H GLU A 50 80.759 6.448 12.986 1.00 0.00 H new ATOM 0 HA GLU A 50 79.829 7.789 15.208 1.00 0.00 H new ATOM 0 HB2 GLU A 50 81.009 4.991 14.914 1.00 0.00 H new ATOM 0 HB3 GLU A 50 80.302 5.528 16.425 1.00 0.00 H new ATOM 0 HG2 GLU A 50 78.834 5.611 13.742 1.00 0.00 H new ATOM 0 HG3 GLU A 50 78.677 4.302 14.896 1.00 0.00 H new ATOM 762 N LYS A 51 83.042 7.138 15.506 1.00 0.00 N ATOM 763 CA LYS A 51 84.236 7.478 16.318 1.00 0.00 C ATOM 764 C LYS A 51 84.464 8.990 16.323 1.00 0.00 C ATOM 765 O LYS A 51 84.506 9.611 17.366 1.00 0.00 O ATOM 766 CB LYS A 51 85.444 6.771 15.722 1.00 0.00 C ATOM 767 CG LYS A 51 85.282 5.263 15.926 1.00 0.00 C ATOM 768 CD LYS A 51 86.504 4.529 15.361 1.00 0.00 C ATOM 769 CE LYS A 51 86.655 3.172 16.055 1.00 0.00 C ATOM 770 NZ LYS A 51 87.828 2.449 15.489 1.00 0.00 N ATOM 0 H LYS A 51 83.231 6.597 14.662 1.00 0.00 H new ATOM 0 HA LYS A 51 84.084 7.154 17.347 1.00 0.00 H new ATOM 0 HB2 LYS A 51 85.530 7.001 14.660 1.00 0.00 H new ATOM 0 HB3 LYS A 51 86.360 7.120 16.199 1.00 0.00 H new ATOM 0 HG2 LYS A 51 85.171 5.040 16.987 1.00 0.00 H new ATOM 0 HG3 LYS A 51 84.376 4.915 15.430 1.00 0.00 H new ATOM 0 HD2 LYS A 51 86.391 4.388 14.286 1.00 0.00 H new ATOM 0 HD3 LYS A 51 87.402 5.128 15.512 1.00 0.00 H new ATOM 0 HE2 LYS A 51 86.785 3.313 17.128 1.00 0.00 H new ATOM 0 HE3 LYS A 51 85.750 2.580 15.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 87.509 1.565 15.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 88.294 3.047 14.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 88.501 2.230 16.251 1.00 0.00 H new ATOM 784 N LEU A 52 84.610 9.594 15.176 1.00 0.00 N ATOM 785 CA LEU A 52 84.829 11.055 15.144 1.00 0.00 C ATOM 786 C LEU A 52 83.578 11.730 15.700 1.00 0.00 C ATOM 787 O LEU A 52 83.602 12.319 16.761 1.00 0.00 O ATOM 788 CB LEU A 52 85.101 11.477 13.680 1.00 0.00 C ATOM 789 CG LEU A 52 86.456 12.197 13.567 1.00 0.00 C ATOM 790 CD1 LEU A 52 87.583 11.161 13.634 1.00 0.00 C ATOM 791 CD2 LEU A 52 86.540 12.971 12.238 1.00 0.00 C ATOM 0 H LEU A 52 84.586 9.135 14.265 1.00 0.00 H new ATOM 0 HA LEU A 52 85.686 11.351 15.750 1.00 0.00 H new ATOM 0 HB2 LEU A 52 85.095 10.598 13.035 1.00 0.00 H new ATOM 0 HB3 LEU A 52 84.304 12.134 13.331 1.00 0.00 H new ATOM 0 HG LEU A 52 86.556 12.905 14.390 1.00 0.00 H new ATOM 0 HD11 LEU A 52 88.546 11.665 13.554 1.00 0.00 H new ATOM 0 HD12 LEU A 52 87.530 10.627 14.583 1.00 0.00 H new ATOM 0 HD13 LEU A 52 87.475 10.453 12.813 1.00 0.00 H new ATOM 0 HD21 LEU A 52 87.504 13.476 12.171 1.00 0.00 H new ATOM 0 HD22 LEU A 52 86.436 12.276 11.405 1.00 0.00 H new ATOM 0 HD23 LEU A 52 85.740 13.710 12.196 1.00 0.00 H new ATOM 803 N ASP A 53 82.488 11.630 14.996 1.00 0.00 N ATOM 804 CA ASP A 53 81.225 12.233 15.477 1.00 0.00 C ATOM 805 C ASP A 53 81.395 13.729 15.578 1.00 0.00 C ATOM 806 O ASP A 53 81.796 14.262 16.594 1.00 0.00 O ATOM 807 CB ASP A 53 80.906 11.658 16.843 1.00 0.00 C ATOM 808 CG ASP A 53 79.409 11.795 17.141 1.00 0.00 C ATOM 809 OD1 ASP A 53 78.810 12.734 16.643 1.00 0.00 O ATOM 810 OD2 ASP A 53 78.890 10.958 17.861 1.00 0.00 O ATOM 0 H ASP A 53 82.421 11.150 14.098 1.00 0.00 H new ATOM 0 HA ASP A 53 80.412 12.013 14.785 1.00 0.00 H new ATOM 0 HB2 ASP A 53 81.197 10.608 16.880 1.00 0.00 H new ATOM 0 HB3 ASP A 53 81.485 12.176 17.608 1.00 0.00 H new ATOM 815 N VAL A 54 81.120 14.410 14.528 1.00 0.00 N ATOM 816 CA VAL A 54 81.293 15.881 14.559 1.00 0.00 C ATOM 817 C VAL A 54 80.391 16.544 13.515 1.00 0.00 C ATOM 818 O VAL A 54 80.693 17.583 12.965 1.00 0.00 O ATOM 819 CB VAL A 54 82.784 16.152 14.349 1.00 0.00 C ATOM 820 CG1 VAL A 54 83.298 15.254 13.226 1.00 0.00 C ATOM 821 CG2 VAL A 54 83.053 17.636 14.035 1.00 0.00 C ATOM 0 H VAL A 54 80.783 14.023 13.646 1.00 0.00 H new ATOM 0 HA VAL A 54 80.989 16.315 15.511 1.00 0.00 H new ATOM 0 HB VAL A 54 83.317 15.924 15.272 1.00 0.00 H new ATOM 0 HG11 VAL A 54 84.360 15.440 13.069 1.00 0.00 H new ATOM 0 HG12 VAL A 54 83.149 14.209 13.499 1.00 0.00 H new ATOM 0 HG13 VAL A 54 82.752 15.471 12.308 1.00 0.00 H new ATOM 0 HG21 VAL A 54 84.123 17.790 13.892 1.00 0.00 H new ATOM 0 HG22 VAL A 54 82.521 17.918 13.126 1.00 0.00 H new ATOM 0 HG23 VAL A 54 82.706 18.252 14.864 1.00 0.00 H new ATOM 831 N LYS A 55 79.246 15.953 13.290 1.00 0.00 N ATOM 832 CA LYS A 55 78.256 16.523 12.332 1.00 0.00 C ATOM 833 C LYS A 55 78.960 17.054 11.080 1.00 0.00 C ATOM 834 O LYS A 55 78.404 17.829 10.327 1.00 0.00 O ATOM 835 CB LYS A 55 77.487 17.654 13.030 1.00 0.00 C ATOM 836 CG LYS A 55 76.087 17.820 12.414 1.00 0.00 C ATOM 837 CD LYS A 55 75.199 16.587 12.703 1.00 0.00 C ATOM 838 CE LYS A 55 73.730 17.012 12.812 1.00 0.00 C ATOM 839 NZ LYS A 55 72.854 15.820 12.633 1.00 0.00 N ATOM 0 H LYS A 55 78.952 15.085 13.738 1.00 0.00 H new ATOM 0 HA LYS A 55 77.562 15.742 12.021 1.00 0.00 H new ATOM 0 HB2 LYS A 55 77.398 17.437 14.094 1.00 0.00 H new ATOM 0 HB3 LYS A 55 78.042 18.588 12.940 1.00 0.00 H new ATOM 0 HG2 LYS A 55 75.613 18.715 12.817 1.00 0.00 H new ATOM 0 HG3 LYS A 55 76.175 17.963 11.337 1.00 0.00 H new ATOM 0 HD2 LYS A 55 75.315 15.851 11.908 1.00 0.00 H new ATOM 0 HD3 LYS A 55 75.517 16.109 13.629 1.00 0.00 H new ATOM 0 HE2 LYS A 55 73.544 17.471 13.783 1.00 0.00 H new ATOM 0 HE3 LYS A 55 73.500 17.762 12.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 71.857 16.107 12.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.025 15.401 11.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 73.067 15.118 13.370 1.00 0.00 H new ATOM 853 N LYS A 56 80.175 16.649 10.847 1.00 0.00 N ATOM 854 CA LYS A 56 80.890 17.142 9.634 1.00 0.00 C ATOM 855 C LYS A 56 80.395 16.367 8.415 1.00 0.00 C ATOM 856 O LYS A 56 80.063 15.201 8.496 1.00 0.00 O ATOM 857 CB LYS A 56 82.397 16.937 9.799 1.00 0.00 C ATOM 858 CG LYS A 56 83.153 17.599 8.642 1.00 0.00 C ATOM 859 CD LYS A 56 84.607 17.115 8.629 1.00 0.00 C ATOM 860 CE LYS A 56 85.343 17.603 9.882 1.00 0.00 C ATOM 861 NZ LYS A 56 85.075 19.054 10.095 1.00 0.00 N ATOM 0 H LYS A 56 80.702 16.004 11.436 1.00 0.00 H new ATOM 0 HA LYS A 56 80.691 18.205 9.500 1.00 0.00 H new ATOM 0 HB2 LYS A 56 82.727 17.360 10.748 1.00 0.00 H new ATOM 0 HB3 LYS A 56 82.625 15.872 9.829 1.00 0.00 H new ATOM 0 HG2 LYS A 56 82.671 17.357 7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 56 83.122 18.683 8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 56 84.634 16.026 8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 56 85.112 17.484 7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 56 85.016 17.033 10.751 1.00 0.00 H new ATOM 0 HE3 LYS A 56 86.414 17.434 9.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 85.801 19.452 10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 85.100 19.549 9.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 84.137 19.174 10.529 1.00 0.00 H new ATOM 875 N ASP A 57 80.348 17.010 7.286 1.00 0.00 N ATOM 876 CA ASP A 57 79.880 16.320 6.054 1.00 0.00 C ATOM 877 C ASP A 57 80.728 15.068 5.835 1.00 0.00 C ATOM 878 O ASP A 57 81.919 15.150 5.610 1.00 0.00 O ATOM 879 CB ASP A 57 80.022 17.265 4.857 1.00 0.00 C ATOM 880 CG ASP A 57 81.295 18.100 5.014 1.00 0.00 C ATOM 881 OD1 ASP A 57 81.205 19.180 5.575 1.00 0.00 O ATOM 882 OD2 ASP A 57 82.336 17.646 4.570 1.00 0.00 O ATOM 0 H ASP A 57 80.614 17.987 7.162 1.00 0.00 H new ATOM 0 HA ASP A 57 78.833 16.036 6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 57 80.062 16.692 3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 57 79.152 17.918 4.790 1.00 0.00 H new ATOM 887 N TRP A 58 80.122 13.908 5.915 1.00 0.00 N ATOM 888 CA TRP A 58 80.877 12.634 5.730 1.00 0.00 C ATOM 889 C TRP A 58 80.336 11.879 4.510 1.00 0.00 C ATOM 890 O TRP A 58 81.067 11.206 3.810 1.00 0.00 O ATOM 891 CB TRP A 58 80.691 11.775 6.980 1.00 0.00 C ATOM 892 CG TRP A 58 81.386 12.406 8.150 1.00 0.00 C ATOM 893 CD1 TRP A 58 80.773 12.790 9.297 1.00 0.00 C ATOM 894 CD2 TRP A 58 82.802 12.734 8.317 1.00 0.00 C ATOM 895 NE1 TRP A 58 81.716 13.335 10.151 1.00 0.00 N ATOM 896 CE2 TRP A 58 82.975 13.325 9.591 1.00 0.00 C ATOM 897 CE3 TRP A 58 83.943 12.584 7.500 1.00 0.00 C ATOM 898 CZ2 TRP A 58 84.221 13.751 10.037 1.00 0.00 C ATOM 899 CZ3 TRP A 58 85.201 13.012 7.951 1.00 0.00 C ATOM 900 CH2 TRP A 58 85.339 13.597 9.216 1.00 0.00 C ATOM 0 H TRP A 58 79.126 13.791 6.103 1.00 0.00 H new ATOM 0 HA TRP A 58 81.934 12.850 5.572 1.00 0.00 H new ATOM 0 HB2 TRP A 58 79.629 11.661 7.197 1.00 0.00 H new ATOM 0 HB3 TRP A 58 81.090 10.776 6.806 1.00 0.00 H new ATOM 0 HD1 TRP A 58 79.719 12.687 9.510 1.00 0.00 H new ATOM 0 HE1 TRP A 58 81.505 13.699 11.080 1.00 0.00 H new ATOM 0 HE3 TRP A 58 83.847 12.137 6.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 84.323 14.199 11.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 86.068 12.890 7.319 1.00 0.00 H new ATOM 0 HH2 TRP A 58 86.309 13.928 9.556 1.00 0.00 H new ATOM 911 N SER A 59 79.061 11.983 4.259 1.00 0.00 N ATOM 912 CA SER A 59 78.448 11.272 3.090 1.00 0.00 C ATOM 913 C SER A 59 79.343 11.405 1.862 1.00 0.00 C ATOM 914 O SER A 59 79.749 10.425 1.271 1.00 0.00 O ATOM 915 CB SER A 59 77.088 11.888 2.784 1.00 0.00 C ATOM 916 OG SER A 59 76.715 11.567 1.451 1.00 0.00 O ATOM 0 H SER A 59 78.407 12.534 4.816 1.00 0.00 H new ATOM 0 HA SER A 59 78.335 10.216 3.337 1.00 0.00 H new ATOM 0 HB2 SER A 59 76.341 11.513 3.483 1.00 0.00 H new ATOM 0 HB3 SER A 59 77.129 12.970 2.912 1.00 0.00 H new ATOM 0 HG SER A 59 75.840 11.961 1.252 1.00 0.00 H new ATOM 922 N ASP A 60 79.663 12.606 1.476 1.00 0.00 N ATOM 923 CA ASP A 60 80.541 12.786 0.290 1.00 0.00 C ATOM 924 C ASP A 60 81.783 11.912 0.468 1.00 0.00 C ATOM 925 O ASP A 60 82.224 11.239 -0.442 1.00 0.00 O ATOM 926 CB ASP A 60 80.948 14.258 0.190 1.00 0.00 C ATOM 927 CG ASP A 60 82.029 14.426 -0.880 1.00 0.00 C ATOM 928 OD1 ASP A 60 82.070 13.608 -1.784 1.00 0.00 O ATOM 929 OD2 ASP A 60 82.796 15.369 -0.777 1.00 0.00 O ATOM 0 H ASP A 60 79.356 13.467 1.928 1.00 0.00 H new ATOM 0 HA ASP A 60 80.018 12.497 -0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 60 80.080 14.869 -0.058 1.00 0.00 H new ATOM 0 HB3 ASP A 60 81.319 14.608 1.153 1.00 0.00 H new ATOM 934 N HIS A 61 82.336 11.917 1.647 1.00 0.00 N ATOM 935 CA HIS A 61 83.543 11.099 1.925 1.00 0.00 C ATOM 936 C HIS A 61 83.173 9.619 1.994 1.00 0.00 C ATOM 937 O HIS A 61 82.208 9.230 2.622 1.00 0.00 O ATOM 938 CB HIS A 61 84.144 11.546 3.256 1.00 0.00 C ATOM 939 CG HIS A 61 84.529 12.997 3.166 1.00 0.00 C ATOM 940 ND1 HIS A 61 83.623 13.980 2.798 1.00 0.00 N ATOM 941 CD2 HIS A 61 85.717 13.648 3.388 1.00 0.00 C ATOM 942 CE1 HIS A 61 84.274 15.157 2.810 1.00 0.00 C ATOM 943 NE2 HIS A 61 85.554 15.011 3.163 1.00 0.00 N ATOM 0 H HIS A 61 81.997 12.462 2.440 1.00 0.00 H new ATOM 0 HA HIS A 61 84.270 11.237 1.124 1.00 0.00 H new ATOM 0 HB2 HIS A 61 83.424 11.398 4.061 1.00 0.00 H new ATOM 0 HB3 HIS A 61 85.018 10.940 3.495 1.00 0.00 H new ATOM 0 HD2 HIS A 61 86.639 13.174 3.691 1.00 0.00 H new ATOM 0 HE1 HIS A 61 83.818 16.104 2.564 1.00 0.00 H new ATOM 0 HE2 HIS A 61 86.260 15.742 3.249 1.00 0.00 H new ATOM 951 N ALA A 62 83.949 8.795 1.347 1.00 0.00 N ATOM 952 CA ALA A 62 83.688 7.328 1.346 1.00 0.00 C ATOM 953 C ALA A 62 85.037 6.610 1.338 1.00 0.00 C ATOM 954 O ALA A 62 86.073 7.245 1.357 1.00 0.00 O ATOM 955 CB ALA A 62 82.893 6.959 0.093 1.00 0.00 C ATOM 0 H ALA A 62 84.767 9.081 0.810 1.00 0.00 H new ATOM 0 HA ALA A 62 83.114 7.036 2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 62 82.699 5.886 0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 62 81.946 7.499 0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 62 83.466 7.229 -0.794 1.00 0.00 H new ATOM 961 N LEU A 63 85.053 5.299 1.322 1.00 0.00 N ATOM 962 CA LEU A 63 86.368 4.579 1.328 1.00 0.00 C ATOM 963 C LEU A 63 86.797 4.225 -0.098 1.00 0.00 C ATOM 964 O LEU A 63 86.008 3.789 -0.913 1.00 0.00 O ATOM 965 CB LEU A 63 86.266 3.289 2.144 1.00 0.00 C ATOM 966 CG LEU A 63 85.680 3.567 3.535 1.00 0.00 C ATOM 967 CD1 LEU A 63 86.447 4.714 4.209 1.00 0.00 C ATOM 968 CD2 LEU A 63 84.174 3.917 3.447 1.00 0.00 C ATOM 0 H LEU A 63 84.226 4.702 1.305 1.00 0.00 H new ATOM 0 HA LEU A 63 87.108 5.242 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 63 85.639 2.569 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 63 87.253 2.838 2.244 1.00 0.00 H new ATOM 0 HG LEU A 63 85.784 2.662 4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 63 86.024 4.904 5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 63 87.497 4.439 4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 63 86.365 5.614 3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 63 83.786 4.109 4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 63 84.042 4.806 2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 63 83.632 3.083 3.002 1.00 0.00 H new ATOM 980 N TRP A 64 88.062 4.411 -0.389 1.00 0.00 N ATOM 981 CA TRP A 64 88.608 4.095 -1.750 1.00 0.00 C ATOM 982 C TRP A 64 89.803 3.143 -1.558 1.00 0.00 C ATOM 983 O TRP A 64 90.471 3.182 -0.545 1.00 0.00 O ATOM 984 CB TRP A 64 88.988 5.448 -2.431 1.00 0.00 C ATOM 985 CG TRP A 64 90.467 5.620 -2.661 1.00 0.00 C ATOM 986 CD1 TRP A 64 91.439 5.496 -1.725 1.00 0.00 C ATOM 987 CD2 TRP A 64 91.141 6.003 -3.896 1.00 0.00 C ATOM 988 NE1 TRP A 64 92.666 5.734 -2.319 1.00 0.00 N ATOM 989 CE2 TRP A 64 92.534 6.060 -3.654 1.00 0.00 C ATOM 990 CE3 TRP A 64 90.682 6.291 -5.195 1.00 0.00 C ATOM 991 CZ2 TRP A 64 93.439 6.394 -4.663 1.00 0.00 C ATOM 992 CZ3 TRP A 64 91.589 6.632 -6.211 1.00 0.00 C ATOM 993 CH2 TRP A 64 92.965 6.683 -5.946 1.00 0.00 C ATOM 0 H TRP A 64 88.751 4.774 0.269 1.00 0.00 H new ATOM 0 HA TRP A 64 87.892 3.594 -2.401 1.00 0.00 H new ATOM 0 HB2 TRP A 64 88.470 5.520 -3.388 1.00 0.00 H new ATOM 0 HB3 TRP A 64 88.628 6.269 -1.811 1.00 0.00 H new ATOM 0 HD1 TRP A 64 91.282 5.251 -0.685 1.00 0.00 H new ATOM 0 HE1 TRP A 64 93.559 5.676 -1.830 1.00 0.00 H new ATOM 0 HE3 TRP A 64 89.625 6.249 -5.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 94.498 6.429 -4.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 91.225 6.856 -7.203 1.00 0.00 H new ATOM 0 HH2 TRP A 64 93.658 6.945 -6.732 1.00 0.00 H new ATOM 1004 N TRP A 65 90.060 2.261 -2.498 1.00 0.00 N ATOM 1005 CA TRP A 65 91.205 1.300 -2.337 1.00 0.00 C ATOM 1006 C TRP A 65 92.349 1.746 -3.242 1.00 0.00 C ATOM 1007 O TRP A 65 92.400 1.384 -4.392 1.00 0.00 O ATOM 1008 CB TRP A 65 90.763 -0.116 -2.737 1.00 0.00 C ATOM 1009 CG TRP A 65 91.743 -1.140 -2.227 1.00 0.00 C ATOM 1010 CD1 TRP A 65 92.945 -0.873 -1.652 1.00 0.00 C ATOM 1011 CD2 TRP A 65 91.625 -2.596 -2.249 1.00 0.00 C ATOM 1012 NE1 TRP A 65 93.554 -2.065 -1.313 1.00 0.00 N ATOM 1013 CE2 TRP A 65 92.787 -3.153 -1.665 1.00 0.00 C ATOM 1014 CE3 TRP A 65 90.633 -3.477 -2.714 1.00 0.00 C ATOM 1015 CZ2 TRP A 65 92.959 -4.533 -1.546 1.00 0.00 C ATOM 1016 CZ3 TRP A 65 90.805 -4.866 -2.598 1.00 0.00 C ATOM 1017 CH2 TRP A 65 91.965 -5.392 -2.016 1.00 0.00 C ATOM 0 H TRP A 65 89.531 2.164 -3.365 1.00 0.00 H new ATOM 0 HA TRP A 65 91.529 1.289 -1.296 1.00 0.00 H new ATOM 0 HB2 TRP A 65 89.771 -0.321 -2.334 1.00 0.00 H new ATOM 0 HB3 TRP A 65 90.687 -0.186 -3.822 1.00 0.00 H new ATOM 0 HD1 TRP A 65 93.357 0.112 -1.487 1.00 0.00 H new ATOM 0 HE1 TRP A 65 94.464 -2.132 -0.856 1.00 0.00 H new ATOM 0 HE3 TRP A 65 89.733 -3.083 -3.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 93.855 -4.933 -1.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 90.037 -5.533 -2.960 1.00 0.00 H new ATOM 0 HH2 TRP A 65 92.090 -6.461 -1.931 1.00 0.00 H new ATOM 1028 N GLU A 66 93.256 2.540 -2.741 1.00 0.00 N ATOM 1029 CA GLU A 66 94.384 3.020 -3.596 1.00 0.00 C ATOM 1030 C GLU A 66 95.117 1.844 -4.233 1.00 0.00 C ATOM 1031 O GLU A 66 95.741 1.989 -5.261 1.00 0.00 O ATOM 1032 CB GLU A 66 95.366 3.825 -2.758 1.00 0.00 C ATOM 1033 CG GLU A 66 95.718 3.039 -1.500 1.00 0.00 C ATOM 1034 CD GLU A 66 96.670 3.860 -0.628 1.00 0.00 C ATOM 1035 OE1 GLU A 66 96.185 4.661 0.153 1.00 0.00 O ATOM 1036 OE2 GLU A 66 97.869 3.671 -0.756 1.00 0.00 O ATOM 0 H GLU A 66 93.267 2.878 -1.779 1.00 0.00 H new ATOM 0 HA GLU A 66 93.969 3.649 -4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 66 96.267 4.034 -3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 66 94.929 4.787 -2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 66 94.812 2.802 -0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 66 96.183 2.091 -1.770 1.00 0.00 H new ATOM 1043 N LYS A 67 95.047 0.677 -3.664 1.00 0.00 N ATOM 1044 CA LYS A 67 95.741 -0.465 -4.314 1.00 0.00 C ATOM 1045 C LYS A 67 94.992 -0.735 -5.611 1.00 0.00 C ATOM 1046 O LYS A 67 95.409 -1.503 -6.455 1.00 0.00 O ATOM 1047 CB LYS A 67 95.677 -1.719 -3.438 1.00 0.00 C ATOM 1048 CG LYS A 67 96.161 -1.414 -2.021 1.00 0.00 C ATOM 1049 CD LYS A 67 97.603 -0.907 -2.050 1.00 0.00 C ATOM 1050 CE LYS A 67 98.216 -1.023 -0.648 1.00 0.00 C ATOM 1051 NZ LYS A 67 98.743 -2.404 -0.451 1.00 0.00 N ATOM 0 H LYS A 67 94.552 0.466 -2.798 1.00 0.00 H new ATOM 0 HA LYS A 67 96.792 -0.226 -4.479 1.00 0.00 H new ATOM 0 HB2 LYS A 67 94.654 -2.094 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 67 96.291 -2.506 -3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 67 95.515 -0.666 -1.562 1.00 0.00 H new ATOM 0 HG3 LYS A 67 96.096 -2.312 -1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 67 98.189 -1.486 -2.763 1.00 0.00 H new ATOM 0 HD3 LYS A 67 97.628 0.130 -2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 67 99.018 -0.295 -0.529 1.00 0.00 H new ATOM 0 HE3 LYS A 67 97.465 -0.797 0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 99.159 -2.485 0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 97.967 -3.089 -0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 99.472 -2.603 -1.166 1.00 0.00 H new ATOM 1065 N LYS A 68 93.857 -0.102 -5.739 1.00 0.00 N ATOM 1066 CA LYS A 68 92.990 -0.280 -6.933 1.00 0.00 C ATOM 1067 C LYS A 68 92.524 1.095 -7.425 1.00 0.00 C ATOM 1068 O LYS A 68 91.946 1.218 -8.486 1.00 0.00 O ATOM 1069 CB LYS A 68 91.752 -1.119 -6.542 1.00 0.00 C ATOM 1070 CG LYS A 68 92.111 -2.175 -5.481 1.00 0.00 C ATOM 1071 CD LYS A 68 92.857 -3.338 -6.140 1.00 0.00 C ATOM 1072 CE LYS A 68 93.560 -4.190 -5.071 1.00 0.00 C ATOM 1073 NZ LYS A 68 93.647 -5.602 -5.541 1.00 0.00 N ATOM 0 H LYS A 68 93.488 0.548 -5.045 1.00 0.00 H new ATOM 0 HA LYS A 68 93.548 -0.787 -7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 68 90.971 -0.463 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 68 91.348 -1.611 -7.427 1.00 0.00 H new ATOM 0 HG2 LYS A 68 92.730 -1.727 -4.704 1.00 0.00 H new ATOM 0 HG3 LYS A 68 91.205 -2.540 -4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 68 92.158 -3.954 -6.705 1.00 0.00 H new ATOM 0 HD3 LYS A 68 93.590 -2.954 -6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 68 94.558 -3.798 -4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 68 93.010 -4.141 -4.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 94.122 -6.180 -4.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 92.689 -5.973 -5.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 94.190 -5.640 -6.427 1.00 0.00 H new ATOM 1087 N ARG A 69 92.737 2.124 -6.643 1.00 0.00 N ATOM 1088 CA ARG A 69 92.269 3.476 -7.051 1.00 0.00 C ATOM 1089 C ARG A 69 90.789 3.357 -7.396 1.00 0.00 C ATOM 1090 O ARG A 69 90.334 3.835 -8.416 1.00 0.00 O ATOM 1091 CB ARG A 69 93.044 3.975 -8.282 1.00 0.00 C ATOM 1092 CG ARG A 69 94.485 4.373 -7.901 1.00 0.00 C ATOM 1093 CD ARG A 69 95.395 3.147 -7.954 1.00 0.00 C ATOM 1094 NE ARG A 69 95.549 2.701 -9.369 1.00 0.00 N ATOM 1095 CZ ARG A 69 96.412 3.291 -10.151 1.00 0.00 C ATOM 1096 NH1 ARG A 69 96.544 2.898 -11.388 1.00 0.00 N ATOM 1097 NH2 ARG A 69 97.143 4.271 -9.696 1.00 0.00 N ATOM 0 H ARG A 69 93.214 2.082 -5.742 1.00 0.00 H new ATOM 0 HA ARG A 69 92.433 4.188 -6.242 1.00 0.00 H new ATOM 0 HB2 ARG A 69 93.067 3.195 -9.043 1.00 0.00 H new ATOM 0 HB3 ARG A 69 92.529 4.831 -8.718 1.00 0.00 H new ATOM 0 HG2 ARG A 69 94.852 5.139 -8.584 1.00 0.00 H new ATOM 0 HG3 ARG A 69 94.500 4.804 -6.900 1.00 0.00 H new ATOM 0 HD2 ARG A 69 96.370 3.386 -7.529 1.00 0.00 H new ATOM 0 HD3 ARG A 69 94.974 2.342 -7.352 1.00 0.00 H new ATOM 0 HE ARG A 69 94.979 1.934 -9.726 1.00 0.00 H new ATOM 0 HH11 ARG A 69 95.973 2.131 -11.743 1.00 0.00 H new ATOM 0 HH12 ARG A 69 97.218 3.358 -12.000 1.00 0.00 H new ATOM 0 HH21 ARG A 69 97.041 4.577 -8.728 1.00 0.00 H new ATOM 0 HH22 ARG A 69 97.817 4.731 -10.308 1.00 0.00 H new ATOM 1111 N THR A 70 90.042 2.686 -6.553 1.00 0.00 N ATOM 1112 CA THR A 70 88.588 2.480 -6.814 1.00 0.00 C ATOM 1113 C THR A 70 87.767 3.258 -5.798 1.00 0.00 C ATOM 1114 O THR A 70 88.290 4.009 -5.012 1.00 0.00 O ATOM 1115 CB THR A 70 88.283 0.982 -6.670 1.00 0.00 C ATOM 1116 OG1 THR A 70 87.036 0.689 -7.283 1.00 0.00 O ATOM 1117 CG2 THR A 70 88.237 0.574 -5.190 1.00 0.00 C ATOM 0 H THR A 70 90.384 2.269 -5.687 1.00 0.00 H new ATOM 0 HA THR A 70 88.336 2.828 -7.816 1.00 0.00 H new ATOM 0 HB THR A 70 89.077 0.418 -7.160 1.00 0.00 H new ATOM 0 HG1 THR A 70 86.843 -0.268 -7.192 1.00 0.00 H new ATOM 0 HG21 THR A 70 88.019 -0.491 -5.113 1.00 0.00 H new ATOM 0 HG22 THR A 70 89.201 0.782 -4.725 1.00 0.00 H new ATOM 0 HG23 THR A 70 87.458 1.141 -4.680 1.00 0.00 H new ATOM 1125 N TRP A 71 86.485 3.030 -5.791 1.00 0.00 N ATOM 1126 CA TRP A 71 85.585 3.691 -4.808 1.00 0.00 C ATOM 1127 C TRP A 71 84.766 2.585 -4.155 1.00 0.00 C ATOM 1128 O TRP A 71 83.820 2.066 -4.704 1.00 0.00 O ATOM 1129 CB TRP A 71 84.685 4.727 -5.499 1.00 0.00 C ATOM 1130 CG TRP A 71 84.264 4.284 -6.868 1.00 0.00 C ATOM 1131 CD1 TRP A 71 84.220 3.007 -7.323 1.00 0.00 C ATOM 1132 CD2 TRP A 71 83.808 5.120 -7.972 1.00 0.00 C ATOM 1133 NE1 TRP A 71 83.751 3.012 -8.615 1.00 0.00 N ATOM 1134 CE2 TRP A 71 83.491 4.287 -9.067 1.00 0.00 C ATOM 1135 CE3 TRP A 71 83.639 6.508 -8.123 1.00 0.00 C ATOM 1136 CZ2 TRP A 71 83.022 4.810 -10.273 1.00 0.00 C ATOM 1137 CZ3 TRP A 71 83.169 7.039 -9.335 1.00 0.00 C ATOM 1138 CH2 TRP A 71 82.861 6.191 -10.408 1.00 0.00 C ATOM 0 H TRP A 71 86.013 2.400 -6.439 1.00 0.00 H new ATOM 0 HA TRP A 71 86.156 4.237 -4.057 1.00 0.00 H new ATOM 0 HB2 TRP A 71 83.800 4.903 -4.887 1.00 0.00 H new ATOM 0 HB3 TRP A 71 85.216 5.676 -5.573 1.00 0.00 H new ATOM 0 HD1 TRP A 71 84.507 2.130 -6.762 1.00 0.00 H new ATOM 0 HE1 TRP A 71 83.612 2.170 -9.174 1.00 0.00 H new ATOM 0 HE3 TRP A 71 83.872 7.170 -7.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 82.785 4.152 -11.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 83.044 8.106 -9.441 1.00 0.00 H new ATOM 0 HH2 TRP A 71 82.500 6.605 -11.338 1.00 0.00 H new ATOM 1149 N LEU A 72 85.162 2.186 -2.994 1.00 0.00 N ATOM 1150 CA LEU A 72 84.465 1.066 -2.331 1.00 0.00 C ATOM 1151 C LEU A 72 83.001 1.404 -2.107 1.00 0.00 C ATOM 1152 O LEU A 72 82.592 1.896 -1.075 1.00 0.00 O ATOM 1153 CB LEU A 72 85.164 0.763 -1.014 1.00 0.00 C ATOM 1154 CG LEU A 72 86.638 0.448 -1.304 1.00 0.00 C ATOM 1155 CD1 LEU A 72 87.436 0.478 -0.004 1.00 0.00 C ATOM 1156 CD2 LEU A 72 86.776 -0.933 -1.976 1.00 0.00 C ATOM 0 H LEU A 72 85.941 2.587 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 72 84.501 0.182 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 72 85.085 1.615 -0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 72 84.687 -0.082 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 72 87.030 1.203 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 72 88.482 0.254 -0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 72 87.360 1.468 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 72 87.037 -0.266 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.828 -1.138 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 72 86.375 -1.701 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 72 86.223 -0.937 -2.915 1.00 0.00 H new ATOM 1168 N LEU A 73 82.214 1.095 -3.095 1.00 0.00 N ATOM 1169 CA LEU A 73 80.740 1.318 -3.034 1.00 0.00 C ATOM 1170 C LEU A 73 80.060 -0.033 -3.280 1.00 0.00 C ATOM 1171 O LEU A 73 78.869 -0.120 -3.509 1.00 0.00 O ATOM 1172 CB LEU A 73 80.309 2.353 -4.097 1.00 0.00 C ATOM 1173 CG LEU A 73 80.843 1.983 -5.513 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.762 1.259 -6.331 1.00 0.00 C ATOM 1175 CD2 LEU A 73 81.237 3.260 -6.268 1.00 0.00 C ATOM 0 H LEU A 73 82.539 0.684 -3.970 1.00 0.00 H new ATOM 0 HA LEU A 73 80.450 1.713 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 73 79.221 2.416 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 73 80.678 3.339 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 73 81.706 1.329 -5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 73 80.157 1.010 -7.316 1.00 0.00 H new ATOM 0 HD12 LEU A 73 79.468 0.344 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.894 1.908 -6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 73 81.610 2.997 -7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 73 80.365 3.907 -6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 73 82.016 3.784 -5.714 1.00 0.00 H new ATOM 1187 N LYS A 74 80.831 -1.094 -3.220 1.00 0.00 N ATOM 1188 CA LYS A 74 80.278 -2.463 -3.439 1.00 0.00 C ATOM 1189 C LYS A 74 79.493 -2.913 -2.205 1.00 0.00 C ATOM 1190 O LYS A 74 79.609 -4.041 -1.767 1.00 0.00 O ATOM 1191 CB LYS A 74 81.428 -3.453 -3.666 1.00 0.00 C ATOM 1192 CG LYS A 74 82.443 -2.902 -4.686 1.00 0.00 C ATOM 1193 CD LYS A 74 81.839 -2.880 -6.116 1.00 0.00 C ATOM 1194 CE LYS A 74 81.404 -1.471 -6.489 1.00 0.00 C ATOM 1195 NZ LYS A 74 80.760 -1.497 -7.833 1.00 0.00 N ATOM 0 H LYS A 74 81.832 -1.065 -3.026 1.00 0.00 H new ATOM 0 HA LYS A 74 79.622 -2.439 -4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 74 81.931 -3.653 -2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 74 81.029 -4.403 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 74 82.742 -1.894 -4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 74 83.343 -3.517 -4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 74 82.575 -3.242 -6.834 1.00 0.00 H new ATOM 0 HD3 LYS A 74 80.985 -3.556 -6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 74 80.707 -1.084 -5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 74 82.265 -0.802 -6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 81.056 -0.661 -8.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 81.048 -2.358 -8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 79.726 -1.490 -7.723 1.00 0.00 H new ATOM 1209 N THR A 75 78.699 -2.053 -1.638 1.00 0.00 N ATOM 1210 CA THR A 75 77.919 -2.454 -0.433 1.00 0.00 C ATOM 1211 C THR A 75 77.103 -3.714 -0.745 1.00 0.00 C ATOM 1212 O THR A 75 76.466 -4.283 0.119 1.00 0.00 O ATOM 1213 CB THR A 75 76.971 -1.314 -0.034 1.00 0.00 C ATOM 1214 OG1 THR A 75 77.653 -0.074 -0.163 1.00 0.00 O ATOM 1215 CG2 THR A 75 76.510 -1.491 1.424 1.00 0.00 C ATOM 0 H THR A 75 78.555 -1.094 -1.953 1.00 0.00 H new ATOM 0 HA THR A 75 78.604 -2.661 0.389 1.00 0.00 H new ATOM 0 HB THR A 75 76.098 -1.331 -0.687 1.00 0.00 H new ATOM 0 HG1 THR A 75 77.679 0.377 0.707 1.00 0.00 H new ATOM 0 HG21 THR A 75 75.838 -0.676 1.695 1.00 0.00 H new ATOM 0 HG22 THR A 75 75.987 -2.442 1.527 1.00 0.00 H new ATOM 0 HG23 THR A 75 77.378 -1.480 2.084 1.00 0.00 H new ATOM 1223 N HIS A 76 77.106 -4.143 -1.977 1.00 0.00 N ATOM 1224 CA HIS A 76 76.321 -5.353 -2.357 1.00 0.00 C ATOM 1225 C HIS A 76 76.723 -6.556 -1.498 1.00 0.00 C ATOM 1226 O HIS A 76 75.949 -7.040 -0.696 1.00 0.00 O ATOM 1227 CB HIS A 76 76.575 -5.677 -3.829 1.00 0.00 C ATOM 1228 CG HIS A 76 76.046 -4.561 -4.687 1.00 0.00 C ATOM 1229 ND1 HIS A 76 74.721 -4.156 -4.640 1.00 0.00 N ATOM 1230 CD2 HIS A 76 76.652 -3.756 -5.619 1.00 0.00 C ATOM 1231 CE1 HIS A 76 74.574 -3.148 -5.520 1.00 0.00 C ATOM 1232 NE2 HIS A 76 75.721 -2.864 -6.144 1.00 0.00 N ATOM 0 H HIS A 76 77.621 -3.706 -2.741 1.00 0.00 H new ATOM 0 HA HIS A 76 75.263 -5.147 -2.194 1.00 0.00 H new ATOM 0 HB2 HIS A 76 77.643 -5.810 -4.004 1.00 0.00 H new ATOM 0 HB3 HIS A 76 76.089 -6.616 -4.095 1.00 0.00 H new ATOM 0 HD2 HIS A 76 77.693 -3.807 -5.902 1.00 0.00 H new ATOM 0 HE1 HIS A 76 73.643 -2.632 -5.700 1.00 0.00 H new ATOM 0 HE2 HIS A 76 75.880 -2.148 -6.853 1.00 0.00 H new ATOM 1240 N TRP A 77 77.919 -7.058 -1.672 1.00 0.00 N ATOM 1241 CA TRP A 77 78.365 -8.253 -0.879 1.00 0.00 C ATOM 1242 C TRP A 77 79.228 -7.822 0.304 1.00 0.00 C ATOM 1243 O TRP A 77 78.760 -7.163 1.211 1.00 0.00 O ATOM 1244 CB TRP A 77 79.186 -9.181 -1.761 1.00 0.00 C ATOM 1245 CG TRP A 77 78.353 -9.696 -2.877 1.00 0.00 C ATOM 1246 CD1 TRP A 77 78.060 -9.004 -3.995 1.00 0.00 C ATOM 1247 CD2 TRP A 77 77.710 -10.996 -3.013 1.00 0.00 C ATOM 1248 NE1 TRP A 77 77.278 -9.791 -4.810 1.00 0.00 N ATOM 1249 CE2 TRP A 77 77.032 -11.029 -4.251 1.00 0.00 C ATOM 1250 CE3 TRP A 77 77.649 -12.135 -2.191 1.00 0.00 C ATOM 1251 CZ2 TRP A 77 76.316 -12.154 -4.664 1.00 0.00 C ATOM 1252 CZ3 TRP A 77 76.931 -13.270 -2.602 1.00 0.00 C ATOM 1253 CH2 TRP A 77 76.266 -13.279 -3.836 1.00 0.00 C ATOM 0 H TRP A 77 78.610 -6.694 -2.329 1.00 0.00 H new ATOM 0 HA TRP A 77 77.476 -8.767 -0.513 1.00 0.00 H new ATOM 0 HB2 TRP A 77 80.050 -8.648 -2.158 1.00 0.00 H new ATOM 0 HB3 TRP A 77 79.569 -10.013 -1.169 1.00 0.00 H new ATOM 0 HD1 TRP A 77 78.385 -7.998 -4.216 1.00 0.00 H new ATOM 0 HE1 TRP A 77 76.923 -9.495 -5.719 1.00 0.00 H new ATOM 0 HE3 TRP A 77 78.157 -12.137 -1.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 75.805 -12.155 -5.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 76.891 -14.140 -1.964 1.00 0.00 H new ATOM 0 HH2 TRP A 77 75.715 -14.155 -4.147 1.00 0.00 H new ATOM 1264 N THR A 78 80.488 -8.208 0.327 1.00 0.00 N ATOM 1265 CA THR A 78 81.341 -7.821 1.489 1.00 0.00 C ATOM 1266 C THR A 78 82.811 -7.759 1.066 1.00 0.00 C ATOM 1267 O THR A 78 83.235 -8.396 0.131 1.00 0.00 O ATOM 1268 CB THR A 78 81.139 -8.873 2.614 1.00 0.00 C ATOM 1269 OG1 THR A 78 80.132 -9.787 2.204 1.00 0.00 O ATOM 1270 CG2 THR A 78 80.701 -8.222 3.939 1.00 0.00 C ATOM 0 H THR A 78 80.949 -8.762 -0.395 1.00 0.00 H new ATOM 0 HA THR A 78 81.056 -6.834 1.853 1.00 0.00 H new ATOM 0 HB THR A 78 82.091 -9.376 2.782 1.00 0.00 H new ATOM 0 HG1 THR A 78 79.995 -10.458 2.905 1.00 0.00 H new ATOM 0 HG21 THR A 78 80.571 -8.993 4.698 1.00 0.00 H new ATOM 0 HG22 THR A 78 81.463 -7.515 4.267 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.758 -7.696 3.792 1.00 0.00 H new ATOM 1278 N LEU A 79 83.588 -6.997 1.768 1.00 0.00 N ATOM 1279 CA LEU A 79 85.032 -6.886 1.435 1.00 0.00 C ATOM 1280 C LEU A 79 85.623 -8.262 1.135 1.00 0.00 C ATOM 1281 O LEU A 79 86.239 -8.465 0.109 1.00 0.00 O ATOM 1282 CB LEU A 79 85.761 -6.187 2.560 1.00 0.00 C ATOM 1283 CG LEU A 79 85.780 -6.984 3.858 1.00 0.00 C ATOM 1284 CD1 LEU A 79 86.520 -6.161 4.915 1.00 0.00 C ATOM 1285 CD2 LEU A 79 84.355 -7.259 4.369 1.00 0.00 C ATOM 0 H LEU A 79 83.285 -6.439 2.567 1.00 0.00 H new ATOM 0 HA LEU A 79 85.152 -6.286 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 79 86.787 -5.988 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 79 85.290 -5.221 2.743 1.00 0.00 H new ATOM 0 HG LEU A 79 86.272 -7.939 3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 79 86.546 -6.714 5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 79 87.539 -5.969 4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 79 86.003 -5.213 5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 79 84.405 -7.829 5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 79 83.845 -6.313 4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 79 83.804 -7.830 3.621 1.00 0.00 H new ATOM 1297 N ASP A 80 85.422 -9.209 1.996 1.00 0.00 N ATOM 1298 CA ASP A 80 85.939 -10.579 1.743 1.00 0.00 C ATOM 1299 C ASP A 80 85.631 -10.992 0.307 1.00 0.00 C ATOM 1300 O ASP A 80 86.369 -11.730 -0.316 1.00 0.00 O ATOM 1301 CB ASP A 80 85.200 -11.519 2.675 1.00 0.00 C ATOM 1302 CG ASP A 80 85.971 -12.833 2.824 1.00 0.00 C ATOM 1303 OD1 ASP A 80 87.092 -12.789 3.303 1.00 0.00 O ATOM 1304 OD2 ASP A 80 85.426 -13.862 2.457 1.00 0.00 O ATOM 0 H ASP A 80 84.917 -9.095 2.875 1.00 0.00 H new ATOM 0 HA ASP A 80 87.016 -10.611 1.905 1.00 0.00 H new ATOM 0 HB2 ASP A 80 85.075 -11.050 3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 80 84.201 -11.717 2.286 1.00 0.00 H new ATOM 1309 N LYS A 81 84.535 -10.522 -0.217 1.00 0.00 N ATOM 1310 CA LYS A 81 84.173 -10.893 -1.609 1.00 0.00 C ATOM 1311 C LYS A 81 85.126 -10.145 -2.529 1.00 0.00 C ATOM 1312 O LYS A 81 85.500 -10.618 -3.583 1.00 0.00 O ATOM 1313 CB LYS A 81 82.663 -10.590 -1.865 1.00 0.00 C ATOM 1314 CG LYS A 81 82.420 -9.729 -3.123 1.00 0.00 C ATOM 1315 CD LYS A 81 82.629 -8.245 -2.815 1.00 0.00 C ATOM 1316 CE LYS A 81 82.020 -7.393 -3.929 1.00 0.00 C ATOM 1317 NZ LYS A 81 82.698 -6.068 -3.957 1.00 0.00 N ATOM 0 H LYS A 81 83.879 -9.901 0.256 1.00 0.00 H new ATOM 0 HA LYS A 81 84.284 -11.960 -1.801 1.00 0.00 H new ATOM 0 HB2 LYS A 81 82.122 -11.531 -1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 81 82.250 -10.077 -0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 81 83.098 -10.039 -3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 81 81.406 -9.890 -3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 81 82.168 -7.994 -1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 81 83.694 -8.030 -2.721 1.00 0.00 H new ATOM 0 HE2 LYS A 81 82.134 -7.894 -4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 81 80.951 -7.264 -3.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 82.323 -5.503 -4.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 82.524 -5.570 -3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 83.721 -6.204 -4.085 1.00 0.00 H new ATOM 1331 N TYR A 82 85.532 -8.987 -2.120 1.00 0.00 N ATOM 1332 CA TYR A 82 86.476 -8.203 -2.945 1.00 0.00 C ATOM 1333 C TYR A 82 87.844 -8.872 -2.834 1.00 0.00 C ATOM 1334 O TYR A 82 88.491 -9.145 -3.826 1.00 0.00 O ATOM 1335 CB TYR A 82 86.527 -6.752 -2.426 1.00 0.00 C ATOM 1336 CG TYR A 82 86.816 -5.785 -3.565 1.00 0.00 C ATOM 1337 CD1 TYR A 82 85.977 -4.681 -3.777 1.00 0.00 C ATOM 1338 CD2 TYR A 82 87.920 -5.990 -4.405 1.00 0.00 C ATOM 1339 CE1 TYR A 82 86.240 -3.790 -4.825 1.00 0.00 C ATOM 1340 CE2 TYR A 82 88.182 -5.098 -5.452 1.00 0.00 C ATOM 1341 CZ TYR A 82 87.342 -3.998 -5.662 1.00 0.00 C ATOM 1342 OH TYR A 82 87.602 -3.120 -6.695 1.00 0.00 O ATOM 0 H TYR A 82 85.250 -8.546 -1.245 1.00 0.00 H new ATOM 0 HA TYR A 82 86.162 -8.174 -3.989 1.00 0.00 H new ATOM 0 HB2 TYR A 82 85.578 -6.495 -1.956 1.00 0.00 H new ATOM 0 HB3 TYR A 82 87.297 -6.661 -1.660 1.00 0.00 H new ATOM 0 HD1 TYR A 82 85.127 -4.518 -3.131 1.00 0.00 H new ATOM 0 HD2 TYR A 82 88.570 -6.838 -4.244 1.00 0.00 H new ATOM 0 HE1 TYR A 82 85.592 -2.942 -4.987 1.00 0.00 H new ATOM 0 HE2 TYR A 82 89.033 -5.259 -6.098 1.00 0.00 H new ATOM 0 HH TYR A 82 88.404 -3.411 -7.177 1.00 0.00 H new ATOM 1352 N GLY A 83 88.283 -9.153 -1.627 1.00 0.00 N ATOM 1353 CA GLY A 83 89.622 -9.828 -1.447 1.00 0.00 C ATOM 1354 C GLY A 83 90.479 -8.971 -0.529 1.00 0.00 C ATOM 1355 O GLY A 83 91.634 -9.250 -0.270 1.00 0.00 O ATOM 0 H GLY A 83 87.781 -8.948 -0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.490 -10.823 -1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.113 -9.957 -2.411 1.00 0.00 H new ATOM 1359 N ILE A 84 89.893 -7.938 -0.032 1.00 0.00 N ATOM 1360 CA ILE A 84 90.585 -7.013 0.893 1.00 0.00 C ATOM 1361 C ILE A 84 91.029 -7.797 2.132 1.00 0.00 C ATOM 1362 O ILE A 84 90.522 -8.865 2.406 1.00 0.00 O ATOM 1363 CB ILE A 84 89.546 -5.975 1.286 1.00 0.00 C ATOM 1364 CG1 ILE A 84 89.211 -5.073 0.099 1.00 0.00 C ATOM 1365 CG2 ILE A 84 90.010 -5.116 2.442 1.00 0.00 C ATOM 1366 CD1 ILE A 84 87.852 -4.404 0.338 1.00 0.00 C ATOM 0 H ILE A 84 88.926 -7.683 -0.234 1.00 0.00 H new ATOM 0 HA ILE A 84 91.463 -6.550 0.442 1.00 0.00 H new ATOM 0 HB ILE A 84 88.657 -6.523 1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 84 89.985 -4.316 -0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 84 89.185 -5.658 -0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 84 89.236 -4.389 2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 84 90.204 -5.747 3.309 1.00 0.00 H new ATOM 0 HG23 ILE A 84 90.924 -4.592 2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 84 87.610 -3.760 -0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 84 87.083 -5.169 0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 84 87.896 -3.807 1.249 1.00 0.00 H new ATOM 1378 N GLN A 85 91.948 -7.270 2.899 1.00 0.00 N ATOM 1379 CA GLN A 85 92.390 -7.986 4.133 1.00 0.00 C ATOM 1380 C GLN A 85 92.973 -6.960 5.117 1.00 0.00 C ATOM 1381 O GLN A 85 92.786 -5.769 4.970 1.00 0.00 O ATOM 1382 CB GLN A 85 93.457 -9.050 3.797 1.00 0.00 C ATOM 1383 CG GLN A 85 93.284 -10.294 4.714 1.00 0.00 C ATOM 1384 CD GLN A 85 92.332 -11.288 4.052 1.00 0.00 C ATOM 1385 OE1 GLN A 85 92.614 -12.467 3.970 1.00 0.00 O ATOM 1386 NE2 GLN A 85 91.208 -10.847 3.575 1.00 0.00 N ATOM 0 H GLN A 85 92.410 -6.378 2.725 1.00 0.00 H new ATOM 0 HA GLN A 85 91.534 -8.492 4.579 1.00 0.00 H new ATOM 0 HB2 GLN A 85 93.370 -9.345 2.751 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.454 -8.629 3.927 1.00 0.00 H new ATOM 0 HG2 GLN A 85 94.251 -10.764 4.893 1.00 0.00 H new ATOM 0 HG3 GLN A 85 92.893 -9.991 5.685 1.00 0.00 H new ATOM 0 HE21 GLN A 85 90.977 -9.856 3.647 1.00 0.00 H new ATOM 0 HE22 GLN A 85 90.556 -11.491 3.128 1.00 0.00 H new ATOM 1395 N ALA A 86 93.683 -7.413 6.109 1.00 0.00 N ATOM 1396 CA ALA A 86 94.286 -6.470 7.093 1.00 0.00 C ATOM 1397 C ALA A 86 95.474 -5.744 6.456 1.00 0.00 C ATOM 1398 O ALA A 86 95.884 -4.692 6.904 1.00 0.00 O ATOM 1399 CB ALA A 86 94.761 -7.279 8.303 1.00 0.00 C ATOM 0 H ALA A 86 93.874 -8.400 6.283 1.00 0.00 H new ATOM 0 HA ALA A 86 93.550 -5.728 7.402 1.00 0.00 H new ATOM 0 HB1 ALA A 86 95.207 -6.608 9.037 1.00 0.00 H new ATOM 0 HB2 ALA A 86 93.912 -7.795 8.751 1.00 0.00 H new ATOM 0 HB3 ALA A 86 95.503 -8.011 7.983 1.00 0.00 H new ATOM 1405 N ASP A 87 96.034 -6.304 5.422 1.00 0.00 N ATOM 1406 CA ASP A 87 97.201 -5.655 4.764 1.00 0.00 C ATOM 1407 C ASP A 87 96.704 -4.642 3.733 1.00 0.00 C ATOM 1408 O ASP A 87 97.479 -4.033 3.022 1.00 0.00 O ATOM 1409 CB ASP A 87 98.042 -6.727 4.068 1.00 0.00 C ATOM 1410 CG ASP A 87 97.120 -7.768 3.432 1.00 0.00 C ATOM 1411 OD1 ASP A 87 97.043 -8.865 3.961 1.00 0.00 O ATOM 1412 OD2 ASP A 87 96.507 -7.452 2.426 1.00 0.00 O ATOM 0 H ASP A 87 95.734 -7.184 5.003 1.00 0.00 H new ATOM 0 HA ASP A 87 97.808 -5.141 5.510 1.00 0.00 H new ATOM 0 HB2 ASP A 87 98.673 -6.271 3.305 1.00 0.00 H new ATOM 0 HB3 ASP A 87 98.707 -7.206 4.787 1.00 0.00 H new ATOM 1417 N ALA A 88 95.417 -4.463 3.642 1.00 0.00 N ATOM 1418 CA ALA A 88 94.858 -3.500 2.654 1.00 0.00 C ATOM 1419 C ALA A 88 94.628 -2.146 3.339 1.00 0.00 C ATOM 1420 O ALA A 88 93.798 -2.019 4.212 1.00 0.00 O ATOM 1421 CB ALA A 88 93.531 -4.075 2.135 1.00 0.00 C ATOM 0 H ALA A 88 94.723 -4.946 4.213 1.00 0.00 H new ATOM 0 HA ALA A 88 95.546 -3.350 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 88 93.097 -3.389 1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 88 93.713 -5.039 1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 88 92.840 -4.205 2.968 1.00 0.00 H new ATOM 1427 N LYS A 89 95.360 -1.131 2.949 1.00 0.00 N ATOM 1428 CA LYS A 89 95.182 0.219 3.574 1.00 0.00 C ATOM 1429 C LYS A 89 94.275 1.068 2.687 1.00 0.00 C ATOM 1430 O LYS A 89 94.511 1.237 1.507 1.00 0.00 O ATOM 1431 CB LYS A 89 96.544 0.910 3.743 1.00 0.00 C ATOM 1432 CG LYS A 89 97.623 -0.113 4.117 1.00 0.00 C ATOM 1433 CD LYS A 89 97.344 -0.719 5.498 1.00 0.00 C ATOM 1434 CE LYS A 89 98.215 -1.959 5.684 1.00 0.00 C ATOM 1435 NZ LYS A 89 99.652 -1.576 5.592 1.00 0.00 N ATOM 0 H LYS A 89 96.075 -1.178 2.223 1.00 0.00 H new ATOM 0 HA LYS A 89 94.727 0.103 4.558 1.00 0.00 H new ATOM 0 HB2 LYS A 89 96.819 1.415 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 89 96.477 1.675 4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 89 97.656 -0.904 3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 89 98.602 0.367 4.117 1.00 0.00 H new ATOM 0 HD2 LYS A 89 97.557 0.011 6.279 1.00 0.00 H new ATOM 0 HD3 LYS A 89 96.290 -0.983 5.587 1.00 0.00 H new ATOM 0 HE2 LYS A 89 98.011 -2.418 6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 89 97.976 -2.702 4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 100.243 -2.361 5.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 99.892 -1.366 4.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 99.825 -0.734 6.177 1.00 0.00 H new ATOM 1449 N LEU A 90 93.230 1.589 3.265 1.00 0.00 N ATOM 1450 CA LEU A 90 92.248 2.433 2.504 1.00 0.00 C ATOM 1451 C LEU A 90 92.322 3.872 3.005 1.00 0.00 C ATOM 1452 O LEU A 90 93.072 4.197 3.895 1.00 0.00 O ATOM 1453 CB LEU A 90 90.808 1.902 2.684 1.00 0.00 C ATOM 1454 CG LEU A 90 90.819 0.391 2.889 1.00 0.00 C ATOM 1455 CD1 LEU A 90 89.399 -0.089 3.196 1.00 0.00 C ATOM 1456 CD2 LEU A 90 91.327 -0.308 1.623 1.00 0.00 C ATOM 0 H LEU A 90 93.005 1.467 4.252 1.00 0.00 H new ATOM 0 HA LEU A 90 92.503 2.391 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 90 90.339 2.388 3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 90 90.210 2.152 1.808 1.00 0.00 H new ATOM 0 HG LEU A 90 91.480 0.149 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 90 89.404 -1.169 3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 90 89.038 0.399 4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 90 88.742 0.161 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.331 -1.387 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 90 90.672 -0.065 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 90 92.339 0.030 1.402 1.00 0.00 H new ATOM 1468 N GLN A 91 91.546 4.734 2.420 1.00 0.00 N ATOM 1469 CA GLN A 91 91.526 6.164 2.844 1.00 0.00 C ATOM 1470 C GLN A 91 90.068 6.550 3.056 1.00 0.00 C ATOM 1471 O GLN A 91 89.174 5.830 2.660 1.00 0.00 O ATOM 1472 CB GLN A 91 92.112 7.067 1.752 1.00 0.00 C ATOM 1473 CG GLN A 91 93.465 6.519 1.244 1.00 0.00 C ATOM 1474 CD GLN A 91 93.694 6.981 -0.189 1.00 0.00 C ATOM 1475 OE1 GLN A 91 94.575 6.494 -0.870 1.00 0.00 O ATOM 1476 NE2 GLN A 91 92.934 7.914 -0.669 1.00 0.00 N ATOM 0 H GLN A 91 90.913 4.508 1.653 1.00 0.00 H new ATOM 0 HA GLN A 91 92.120 6.287 3.750 1.00 0.00 H new ATOM 0 HB2 GLN A 91 91.411 7.140 0.921 1.00 0.00 H new ATOM 0 HB3 GLN A 91 92.248 8.075 2.144 1.00 0.00 H new ATOM 0 HG2 GLN A 91 94.275 6.869 1.884 1.00 0.00 H new ATOM 0 HG3 GLN A 91 93.469 5.430 1.291 1.00 0.00 H new ATOM 0 HE21 GLN A 91 92.196 8.318 -0.092 1.00 0.00 H new ATOM 0 HE22 GLN A 91 93.073 8.244 -1.624 1.00 0.00 H new ATOM 1485 N PHE A 92 89.819 7.684 3.655 1.00 0.00 N ATOM 1486 CA PHE A 92 88.412 8.140 3.875 1.00 0.00 C ATOM 1487 C PHE A 92 88.287 9.518 3.229 1.00 0.00 C ATOM 1488 O PHE A 92 88.588 10.534 3.825 1.00 0.00 O ATOM 1489 CB PHE A 92 88.150 8.178 5.385 1.00 0.00 C ATOM 1490 CG PHE A 92 86.756 8.677 5.751 1.00 0.00 C ATOM 1491 CD1 PHE A 92 85.690 8.696 4.826 1.00 0.00 C ATOM 1492 CD2 PHE A 92 86.529 9.096 7.069 1.00 0.00 C ATOM 1493 CE1 PHE A 92 84.424 9.133 5.231 1.00 0.00 C ATOM 1494 CE2 PHE A 92 85.264 9.536 7.464 1.00 0.00 C ATOM 1495 CZ PHE A 92 84.212 9.553 6.547 1.00 0.00 C ATOM 0 H PHE A 92 90.535 8.320 4.005 1.00 0.00 H new ATOM 0 HA PHE A 92 87.674 7.473 3.430 1.00 0.00 H new ATOM 0 HB2 PHE A 92 88.288 7.177 5.794 1.00 0.00 H new ATOM 0 HB3 PHE A 92 88.893 8.821 5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 92 85.851 8.374 3.808 1.00 0.00 H new ATOM 0 HD2 PHE A 92 87.338 9.078 7.784 1.00 0.00 H new ATOM 0 HE1 PHE A 92 83.608 9.146 4.524 1.00 0.00 H new ATOM 0 HE2 PHE A 92 85.100 9.863 8.480 1.00 0.00 H new ATOM 0 HZ PHE A 92 83.233 9.891 6.855 1.00 0.00 H new ATOM 1505 N THR A 93 87.901 9.542 1.977 1.00 0.00 N ATOM 1506 CA THR A 93 87.817 10.838 1.226 1.00 0.00 C ATOM 1507 C THR A 93 86.659 10.795 0.213 1.00 0.00 C ATOM 1508 O THR A 93 86.094 9.752 -0.050 1.00 0.00 O ATOM 1509 CB THR A 93 89.155 11.058 0.464 1.00 0.00 C ATOM 1510 OG1 THR A 93 88.909 11.160 -0.933 1.00 0.00 O ATOM 1511 CG2 THR A 93 90.122 9.889 0.707 1.00 0.00 C ATOM 0 H THR A 93 87.639 8.716 1.438 1.00 0.00 H new ATOM 0 HA THR A 93 87.639 11.652 1.929 1.00 0.00 H new ATOM 0 HB THR A 93 89.603 11.980 0.835 1.00 0.00 H new ATOM 0 HG1 THR A 93 89.756 11.300 -1.405 1.00 0.00 H new ATOM 0 HG21 THR A 93 91.050 10.066 0.164 1.00 0.00 H new ATOM 0 HG22 THR A 93 90.335 9.809 1.773 1.00 0.00 H new ATOM 0 HG23 THR A 93 89.668 8.962 0.357 1.00 0.00 H new ATOM 1642 N SER B 547 55.483 28.453 11.779 1.00 0.00 N ATOM 1643 CA SER B 547 55.268 27.231 12.603 1.00 0.00 C ATOM 1644 C SER B 547 56.491 27.054 13.495 1.00 0.00 C ATOM 1645 O SER B 547 57.578 26.827 13.023 1.00 0.00 O ATOM 1646 CB SER B 547 55.099 26.011 11.694 1.00 0.00 C ATOM 1647 OG SER B 547 53.733 25.899 11.313 1.00 0.00 O ATOM 0 HA SER B 547 54.367 27.331 13.208 1.00 0.00 H new ATOM 0 HB2 SER B 547 55.729 26.111 10.810 1.00 0.00 H new ATOM 0 HB3 SER B 547 55.420 25.108 12.213 1.00 0.00 H new ATOM 0 HG SER B 547 53.619 25.120 10.729 1.00 0.00 H new ATOM 1653 N LEU B 548 56.328 27.185 14.773 1.00 0.00 N ATOM 1654 CA LEU B 548 57.492 27.055 15.685 1.00 0.00 C ATOM 1655 C LEU B 548 58.109 25.667 15.574 1.00 0.00 C ATOM 1656 O LEU B 548 57.417 24.676 15.564 1.00 0.00 O ATOM 1657 CB LEU B 548 57.024 27.312 17.136 1.00 0.00 C ATOM 1658 CG LEU B 548 57.370 28.752 17.558 1.00 0.00 C ATOM 1659 CD1 LEU B 548 56.502 29.747 16.785 1.00 0.00 C ATOM 1660 CD2 LEU B 548 57.133 28.929 19.056 1.00 0.00 C ATOM 0 H LEU B 548 55.437 27.377 15.230 1.00 0.00 H new ATOM 0 HA LEU B 548 58.250 27.786 15.406 1.00 0.00 H new ATOM 0 HB2 LEU B 548 55.949 27.151 17.213 1.00 0.00 H new ATOM 0 HB3 LEU B 548 57.502 26.602 17.811 1.00 0.00 H new ATOM 0 HG LEU B 548 58.420 28.939 17.334 1.00 0.00 H new ATOM 0 HD11 LEU B 548 56.754 30.763 17.090 1.00 0.00 H new ATOM 0 HD12 LEU B 548 56.683 29.634 15.716 1.00 0.00 H new ATOM 0 HD13 LEU B 548 55.450 29.554 16.998 1.00 0.00 H new ATOM 0 HD21 LEU B 548 57.380 29.950 19.345 1.00 0.00 H new ATOM 0 HD22 LEU B 548 56.086 28.731 19.285 1.00 0.00 H new ATOM 0 HD23 LEU B 548 57.763 28.233 19.609 1.00 0.00 H new ATOM 1672 N CYS B 549 59.415 25.592 15.539 1.00 0.00 N ATOM 1673 CA CYS B 549 60.071 24.265 15.472 1.00 0.00 C ATOM 1674 C CYS B 549 60.154 23.762 16.901 1.00 0.00 C ATOM 1675 O CYS B 549 60.955 24.213 17.695 1.00 0.00 O ATOM 1676 CB CYS B 549 61.479 24.438 14.878 1.00 0.00 C ATOM 1677 SG CYS B 549 62.581 23.077 15.380 1.00 0.00 S ATOM 0 H CYS B 549 60.048 26.392 15.554 1.00 0.00 H new ATOM 0 HA CYS B 549 59.522 23.561 14.847 1.00 0.00 H new ATOM 0 HB2 CYS B 549 61.415 24.475 13.790 1.00 0.00 H new ATOM 0 HB3 CYS B 549 61.900 25.389 15.205 1.00 0.00 H new ATOM 0 HG CYS B 549 61.871 22.092 15.843 1.00 0.00 H new ATOM 1682 N SER B 550 59.299 22.847 17.233 1.00 0.00 N ATOM 1683 CA SER B 550 59.268 22.311 18.614 1.00 0.00 C ATOM 1684 C SER B 550 60.672 21.917 19.040 1.00 0.00 C ATOM 1685 O SER B 550 61.371 21.189 18.364 1.00 0.00 O ATOM 1686 CB SER B 550 58.322 21.121 18.678 1.00 0.00 C ATOM 1687 OG SER B 550 58.647 20.319 19.806 1.00 0.00 O ATOM 0 H SER B 550 58.611 22.442 16.599 1.00 0.00 H new ATOM 0 HA SER B 550 58.904 23.076 19.300 1.00 0.00 H new ATOM 0 HB2 SER B 550 57.290 21.466 18.748 1.00 0.00 H new ATOM 0 HB3 SER B 550 58.399 20.531 17.764 1.00 0.00 H new ATOM 0 HG SER B 550 58.037 19.553 19.849 1.00 0.00 H new ATOM 1693 N GLY B 551 61.091 22.443 20.152 1.00 0.00 N ATOM 1694 CA GLY B 551 62.467 22.180 20.665 1.00 0.00 C ATOM 1695 C GLY B 551 63.240 23.474 20.503 1.00 0.00 C ATOM 1696 O GLY B 551 64.064 23.844 21.316 1.00 0.00 O ATOM 0 H GLY B 551 60.529 23.057 20.742 1.00 0.00 H new ATOM 0 HA2 GLY B 551 62.439 21.873 21.710 1.00 0.00 H new ATOM 0 HA3 GLY B 551 62.941 21.372 20.108 1.00 0.00 H new ATOM 1700 N CYS B 552 62.937 24.178 19.453 1.00 0.00 N ATOM 1701 CA CYS B 552 63.581 25.481 19.180 1.00 0.00 C ATOM 1702 C CYS B 552 62.561 26.565 19.507 1.00 0.00 C ATOM 1703 O CYS B 552 62.886 27.640 19.969 1.00 0.00 O ATOM 1704 CB CYS B 552 63.908 25.548 17.690 1.00 0.00 C ATOM 1705 SG CYS B 552 65.501 24.758 17.369 1.00 0.00 S ATOM 0 H CYS B 552 62.250 23.893 18.755 1.00 0.00 H new ATOM 0 HA CYS B 552 64.490 25.609 19.768 1.00 0.00 H new ATOM 0 HB2 CYS B 552 63.125 25.053 17.115 1.00 0.00 H new ATOM 0 HB3 CYS B 552 63.936 26.587 17.362 1.00 0.00 H new ATOM 0 HG CYS B 552 65.754 24.794 16.094 1.00 0.00 H new ATOM 1710 N GLN B 553 61.323 26.271 19.238 1.00 0.00 N ATOM 1711 CA GLN B 553 60.235 27.243 19.477 1.00 0.00 C ATOM 1712 C GLN B 553 60.536 28.541 18.757 1.00 0.00 C ATOM 1713 O GLN B 553 60.549 29.616 19.321 1.00 0.00 O ATOM 1714 CB GLN B 553 60.016 27.466 20.959 1.00 0.00 C ATOM 1715 CG GLN B 553 59.512 26.158 21.570 1.00 0.00 C ATOM 1716 CD GLN B 553 58.114 25.811 21.049 1.00 0.00 C ATOM 1717 OE1 GLN B 553 57.120 26.111 21.680 1.00 0.00 O ATOM 1718 NE2 GLN B 553 58.007 25.185 19.908 1.00 0.00 N ATOM 0 H GLN B 553 61.017 25.377 18.854 1.00 0.00 H new ATOM 0 HA GLN B 553 59.307 26.836 19.076 1.00 0.00 H new ATOM 0 HB2 GLN B 553 60.945 27.776 21.438 1.00 0.00 H new ATOM 0 HB3 GLN B 553 59.292 28.265 21.120 1.00 0.00 H new ATOM 0 HG2 GLN B 553 60.204 25.350 21.331 1.00 0.00 H new ATOM 0 HG3 GLN B 553 59.488 26.246 22.656 1.00 0.00 H new ATOM 0 HE21 GLN B 553 58.845 24.936 19.383 1.00 0.00 H new ATOM 0 HE22 GLN B 553 57.085 24.945 19.542 1.00 0.00 H new ATOM 1727 N LYS B 554 60.731 28.412 17.484 1.00 0.00 N ATOM 1728 CA LYS B 554 60.994 29.579 16.592 1.00 0.00 C ATOM 1729 C LYS B 554 60.232 29.317 15.273 1.00 0.00 C ATOM 1730 O LYS B 554 60.416 28.275 14.675 1.00 0.00 O ATOM 1731 CB LYS B 554 62.492 29.690 16.293 1.00 0.00 C ATOM 1732 CG LYS B 554 63.271 30.009 17.576 1.00 0.00 C ATOM 1733 CD LYS B 554 62.895 31.407 18.099 1.00 0.00 C ATOM 1734 CE LYS B 554 64.036 31.971 18.953 1.00 0.00 C ATOM 1735 NZ LYS B 554 63.590 33.233 19.610 1.00 0.00 N ATOM 0 H LYS B 554 60.720 27.514 17.000 1.00 0.00 H new ATOM 0 HA LYS B 554 60.669 30.505 17.067 1.00 0.00 H new ATOM 0 HB2 LYS B 554 62.854 28.756 15.863 1.00 0.00 H new ATOM 0 HB3 LYS B 554 62.665 30.470 15.552 1.00 0.00 H new ATOM 0 HG2 LYS B 554 63.054 29.259 18.337 1.00 0.00 H new ATOM 0 HG3 LYS B 554 64.342 29.963 17.379 1.00 0.00 H new ATOM 0 HD2 LYS B 554 62.692 32.075 17.262 1.00 0.00 H new ATOM 0 HD3 LYS B 554 61.981 31.350 18.690 1.00 0.00 H new ATOM 0 HE2 LYS B 554 64.335 31.242 19.707 1.00 0.00 H new ATOM 0 HE3 LYS B 554 64.910 32.162 18.330 1.00 0.00 H new ATOM 0 HZ1 LYS B 554 64.365 33.615 20.189 1.00 0.00 H new ATOM 0 HZ2 LYS B 554 63.326 33.928 18.883 1.00 0.00 H new ATOM 0 HZ3 LYS B 554 62.768 33.037 20.217 1.00 0.00 H new ATOM 1749 N PRO B 555 59.368 30.201 14.814 1.00 0.00 N ATOM 1750 CA PRO B 555 58.599 29.943 13.558 1.00 0.00 C ATOM 1751 C PRO B 555 59.422 29.360 12.410 1.00 0.00 C ATOM 1752 O PRO B 555 60.537 29.761 12.139 1.00 0.00 O ATOM 1753 CB PRO B 555 58.081 31.338 13.211 1.00 0.00 C ATOM 1754 CG PRO B 555 58.073 32.154 14.513 1.00 0.00 C ATOM 1755 CD PRO B 555 59.070 31.496 15.488 1.00 0.00 C ATOM 0 HA PRO B 555 57.830 29.185 13.707 1.00 0.00 H new ATOM 0 HB2 PRO B 555 58.719 31.811 12.464 1.00 0.00 H new ATOM 0 HB3 PRO B 555 57.079 31.282 12.785 1.00 0.00 H new ATOM 0 HG2 PRO B 555 58.356 33.188 14.317 1.00 0.00 H new ATOM 0 HG3 PRO B 555 57.073 32.174 14.945 1.00 0.00 H new ATOM 0 HD2 PRO B 555 59.967 32.101 15.621 1.00 0.00 H new ATOM 0 HD3 PRO B 555 58.635 31.349 16.476 1.00 0.00 H new ATOM 1763 N ILE B 556 58.838 28.411 11.734 1.00 0.00 N ATOM 1764 CA ILE B 556 59.498 27.751 10.581 1.00 0.00 C ATOM 1765 C ILE B 556 58.985 28.411 9.300 1.00 0.00 C ATOM 1766 O ILE B 556 57.902 28.117 8.834 1.00 0.00 O ATOM 1767 CB ILE B 556 59.104 26.275 10.599 1.00 0.00 C ATOM 1768 CG1 ILE B 556 59.731 25.579 11.830 1.00 0.00 C ATOM 1769 CG2 ILE B 556 59.598 25.601 9.322 1.00 0.00 C ATOM 1770 CD1 ILE B 556 58.910 24.335 12.230 1.00 0.00 C ATOM 0 H ILE B 556 57.904 28.058 11.942 1.00 0.00 H new ATOM 0 HA ILE B 556 60.583 27.845 10.632 1.00 0.00 H new ATOM 0 HB ILE B 556 58.019 26.193 10.657 1.00 0.00 H new ATOM 0 HG12 ILE B 556 60.757 25.287 11.606 1.00 0.00 H new ATOM 0 HG13 ILE B 556 59.774 26.277 12.666 1.00 0.00 H new ATOM 0 HG21 ILE B 556 59.317 24.548 9.334 1.00 0.00 H new ATOM 0 HG22 ILE B 556 59.147 26.087 8.456 1.00 0.00 H new ATOM 0 HG23 ILE B 556 60.683 25.686 9.262 1.00 0.00 H new ATOM 0 HD11 ILE B 556 59.368 23.860 13.098 1.00 0.00 H new ATOM 0 HD12 ILE B 556 57.891 24.635 12.476 1.00 0.00 H new ATOM 0 HD13 ILE B 556 58.890 23.630 11.399 1.00 0.00 H new ATOM 1782 N THR B 557 59.736 29.328 8.750 1.00 0.00 N ATOM 1783 CA THR B 557 59.278 30.048 7.522 1.00 0.00 C ATOM 1784 C THR B 557 59.928 29.468 6.265 1.00 0.00 C ATOM 1785 O THR B 557 60.992 29.877 5.844 1.00 0.00 O ATOM 1786 CB THR B 557 59.642 31.520 7.677 1.00 0.00 C ATOM 1787 OG1 THR B 557 61.056 31.662 7.693 1.00 0.00 O ATOM 1788 CG2 THR B 557 59.052 32.026 8.995 1.00 0.00 C ATOM 0 H THR B 557 60.651 29.612 9.099 1.00 0.00 H new ATOM 0 HA THR B 557 58.200 29.931 7.410 1.00 0.00 H new ATOM 0 HB THR B 557 59.242 32.098 6.844 1.00 0.00 H new ATOM 0 HG1 THR B 557 61.440 31.196 6.921 1.00 0.00 H new ATOM 0 HG21 THR B 557 59.302 33.079 9.125 1.00 0.00 H new ATOM 0 HG22 THR B 557 57.968 31.910 8.977 1.00 0.00 H new ATOM 0 HG23 THR B 557 59.465 31.450 9.823 1.00 0.00 H new ATOM 1796 N GLY B 558 59.272 28.515 5.666 1.00 0.00 N ATOM 1797 CA GLY B 558 59.792 27.873 4.429 1.00 0.00 C ATOM 1798 C GLY B 558 59.178 26.481 4.347 1.00 0.00 C ATOM 1799 O GLY B 558 58.054 26.307 3.917 1.00 0.00 O ATOM 0 H GLY B 558 58.378 28.147 5.990 1.00 0.00 H new ATOM 0 HA2 GLY B 558 59.528 28.462 3.551 1.00 0.00 H new ATOM 0 HA3 GLY B 558 60.880 27.812 4.456 1.00 0.00 H new ATOM 1803 N ARG B 559 59.900 25.497 4.797 1.00 0.00 N ATOM 1804 CA ARG B 559 59.389 24.100 4.809 1.00 0.00 C ATOM 1805 C ARG B 559 59.226 23.695 6.265 1.00 0.00 C ATOM 1806 O ARG B 559 59.905 24.209 7.130 1.00 0.00 O ATOM 1807 CB ARG B 559 60.415 23.180 4.124 1.00 0.00 C ATOM 1808 CG ARG B 559 60.149 23.134 2.611 1.00 0.00 C ATOM 1809 CD ARG B 559 59.101 22.055 2.302 1.00 0.00 C ATOM 1810 NE ARG B 559 58.830 22.002 0.824 1.00 0.00 N ATOM 1811 CZ ARG B 559 58.394 23.041 0.161 1.00 0.00 C ATOM 1812 NH1 ARG B 559 58.281 22.978 -1.137 1.00 0.00 N ATOM 1813 NH2 ARG B 559 58.025 24.123 0.789 1.00 0.00 N ATOM 0 H ARG B 559 60.845 25.605 5.166 1.00 0.00 H new ATOM 0 HA ARG B 559 58.440 24.021 4.279 1.00 0.00 H new ATOM 0 HB2 ARG B 559 61.425 23.543 4.313 1.00 0.00 H new ATOM 0 HB3 ARG B 559 60.353 22.176 4.544 1.00 0.00 H new ATOM 0 HG2 ARG B 559 59.798 24.106 2.264 1.00 0.00 H new ATOM 0 HG3 ARG B 559 61.074 22.920 2.076 1.00 0.00 H new ATOM 0 HD2 ARG B 559 59.455 21.084 2.649 1.00 0.00 H new ATOM 0 HD3 ARG B 559 58.178 22.269 2.841 1.00 0.00 H new ATOM 0 HE ARG B 559 58.991 21.128 0.323 1.00 0.00 H new ATOM 0 HH11 ARG B 559 58.532 22.121 -1.630 1.00 0.00 H new ATOM 0 HH12 ARG B 559 57.941 23.786 -1.659 1.00 0.00 H new ATOM 0 HH21 ARG B 559 58.075 24.164 1.807 1.00 0.00 H new ATOM 0 HH22 ARG B 559 57.686 24.928 0.262 1.00 0.00 H new ATOM 1827 N CYS B 560 58.337 22.788 6.559 1.00 0.00 N ATOM 1828 CA CYS B 560 58.163 22.374 7.982 1.00 0.00 C ATOM 1829 C CYS B 560 57.832 20.899 8.093 1.00 0.00 C ATOM 1830 O CYS B 560 56.890 20.403 7.508 1.00 0.00 O ATOM 1831 CB CYS B 560 57.055 23.196 8.636 1.00 0.00 C ATOM 1832 SG CYS B 560 55.532 23.039 7.671 1.00 0.00 S ATOM 0 H CYS B 560 57.730 22.320 5.887 1.00 0.00 H new ATOM 0 HA CYS B 560 59.107 22.553 8.497 1.00 0.00 H new ATOM 0 HB2 CYS B 560 56.888 22.852 9.657 1.00 0.00 H new ATOM 0 HB3 CYS B 560 57.353 24.243 8.697 1.00 0.00 H new ATOM 0 HG CYS B 560 55.399 21.811 7.267 1.00 0.00 H new ATOM 1838 N ILE B 561 58.599 20.204 8.881 1.00 0.00 N ATOM 1839 CA ILE B 561 58.353 18.765 9.098 1.00 0.00 C ATOM 1840 C ILE B 561 57.433 18.641 10.285 1.00 0.00 C ATOM 1841 O ILE B 561 57.490 19.420 11.214 1.00 0.00 O ATOM 1842 CB ILE B 561 59.675 18.073 9.403 1.00 0.00 C ATOM 1843 CG1 ILE B 561 60.538 18.202 8.164 1.00 0.00 C ATOM 1844 CG2 ILE B 561 59.466 16.585 9.732 1.00 0.00 C ATOM 1845 CD1 ILE B 561 61.866 17.486 8.383 1.00 0.00 C ATOM 0 H ILE B 561 59.398 20.583 9.390 1.00 0.00 H new ATOM 0 HA ILE B 561 57.908 18.305 8.216 1.00 0.00 H new ATOM 0 HB ILE B 561 60.144 18.535 10.271 1.00 0.00 H new ATOM 0 HG12 ILE B 561 60.022 17.775 7.304 1.00 0.00 H new ATOM 0 HG13 ILE B 561 60.714 19.254 7.940 1.00 0.00 H new ATOM 0 HG21 ILE B 561 60.429 16.121 9.945 1.00 0.00 H new ATOM 0 HG22 ILE B 561 58.818 16.493 10.604 1.00 0.00 H new ATOM 0 HG23 ILE B 561 59.003 16.086 8.881 1.00 0.00 H new ATOM 0 HD11 ILE B 561 62.483 17.582 7.489 1.00 0.00 H new ATOM 0 HD12 ILE B 561 62.385 17.933 9.231 1.00 0.00 H new ATOM 0 HD13 ILE B 561 61.681 16.431 8.585 1.00 0.00 H new ATOM 1857 N THR B 562 56.591 17.665 10.251 1.00 0.00 N ATOM 1858 CA THR B 562 55.630 17.445 11.370 1.00 0.00 C ATOM 1859 C THR B 562 55.841 16.061 11.940 1.00 0.00 C ATOM 1860 O THR B 562 56.199 15.129 11.250 1.00 0.00 O ATOM 1861 CB THR B 562 54.187 17.576 10.890 1.00 0.00 C ATOM 1862 OG1 THR B 562 54.053 18.749 10.101 1.00 0.00 O ATOM 1863 CG2 THR B 562 53.265 17.663 12.110 1.00 0.00 C ATOM 0 H THR B 562 56.519 16.993 9.487 1.00 0.00 H new ATOM 0 HA THR B 562 55.809 18.202 12.133 1.00 0.00 H new ATOM 0 HB THR B 562 53.916 16.710 10.286 1.00 0.00 H new ATOM 0 HG1 THR B 562 53.130 18.823 9.779 1.00 0.00 H new ATOM 0 HG21 THR B 562 52.231 17.757 11.779 1.00 0.00 H new ATOM 0 HG22 THR B 562 53.372 16.761 12.712 1.00 0.00 H new ATOM 0 HG23 THR B 562 53.535 18.533 12.709 1.00 0.00 H new ATOM 1871 N ALA B 563 55.637 15.942 13.210 1.00 0.00 N ATOM 1872 CA ALA B 563 55.826 14.650 13.910 1.00 0.00 C ATOM 1873 C ALA B 563 54.529 14.278 14.613 1.00 0.00 C ATOM 1874 O ALA B 563 53.466 14.280 14.024 1.00 0.00 O ATOM 1875 CB ALA B 563 56.950 14.816 14.920 1.00 0.00 C ATOM 0 H ALA B 563 55.338 16.708 13.813 1.00 0.00 H new ATOM 0 HA ALA B 563 56.085 13.858 13.207 1.00 0.00 H new ATOM 0 HB1 ALA B 563 57.107 13.875 15.448 1.00 0.00 H new ATOM 0 HB2 ALA B 563 57.866 15.098 14.402 1.00 0.00 H new ATOM 0 HB3 ALA B 563 56.684 15.594 15.636 1.00 0.00 H new ATOM 1881 N MET B 564 54.611 13.965 15.867 1.00 0.00 N ATOM 1882 CA MET B 564 53.398 13.596 16.648 1.00 0.00 C ATOM 1883 C MET B 564 52.480 14.811 16.756 1.00 0.00 C ATOM 1884 O MET B 564 51.732 14.946 17.700 1.00 0.00 O ATOM 1885 CB MET B 564 53.843 13.176 18.045 1.00 0.00 C ATOM 1886 CG MET B 564 55.164 12.409 17.950 1.00 0.00 C ATOM 1887 SD MET B 564 55.432 11.472 19.475 1.00 0.00 S ATOM 1888 CE MET B 564 54.520 9.984 18.994 1.00 0.00 C ATOM 0 H MET B 564 55.481 13.947 16.398 1.00 0.00 H new ATOM 0 HA MET B 564 52.863 12.782 16.158 1.00 0.00 H new ATOM 0 HB2 MET B 564 53.965 14.054 18.679 1.00 0.00 H new ATOM 0 HB3 MET B 564 53.080 12.551 18.509 1.00 0.00 H new ATOM 0 HG2 MET B 564 55.143 11.733 17.095 1.00 0.00 H new ATOM 0 HG3 MET B 564 55.989 13.103 17.788 1.00 0.00 H new ATOM 0 HE1 MET B 564 54.556 9.257 19.805 1.00 0.00 H new ATOM 0 HE2 MET B 564 53.482 10.245 18.787 1.00 0.00 H new ATOM 0 HE3 MET B 564 54.972 9.553 18.100 1.00 0.00 H new ATOM 1898 N ALA B 565 52.601 15.685 15.799 1.00 0.00 N ATOM 1899 CA ALA B 565 51.835 16.967 15.726 1.00 0.00 C ATOM 1900 C ALA B 565 52.829 18.081 16.005 1.00 0.00 C ATOM 1901 O ALA B 565 52.540 19.251 15.851 1.00 0.00 O ATOM 1902 CB ALA B 565 50.687 17.047 16.738 1.00 0.00 C ATOM 0 H ALA B 565 53.240 15.555 15.015 1.00 0.00 H new ATOM 0 HA ALA B 565 51.374 17.046 14.741 1.00 0.00 H new ATOM 0 HB1 ALA B 565 50.173 18.002 16.631 1.00 0.00 H new ATOM 0 HB2 ALA B 565 49.984 16.234 16.555 1.00 0.00 H new ATOM 0 HB3 ALA B 565 51.086 16.961 17.749 1.00 0.00 H new ATOM 1908 N LYS B 566 54.017 17.710 16.404 1.00 0.00 N ATOM 1909 CA LYS B 566 55.060 18.722 16.685 1.00 0.00 C ATOM 1910 C LYS B 566 55.701 19.128 15.364 1.00 0.00 C ATOM 1911 O LYS B 566 55.792 18.338 14.451 1.00 0.00 O ATOM 1912 CB LYS B 566 56.123 18.109 17.594 1.00 0.00 C ATOM 1913 CG LYS B 566 55.465 17.491 18.838 1.00 0.00 C ATOM 1914 CD LYS B 566 54.882 18.599 19.760 1.00 0.00 C ATOM 1915 CE LYS B 566 53.357 18.695 19.590 1.00 0.00 C ATOM 1916 NZ LYS B 566 52.698 17.670 20.449 1.00 0.00 N ATOM 0 H LYS B 566 54.305 16.742 16.546 1.00 0.00 H new ATOM 0 HA LYS B 566 54.622 19.591 17.175 1.00 0.00 H new ATOM 0 HB2 LYS B 566 56.680 17.345 17.051 1.00 0.00 H new ATOM 0 HB3 LYS B 566 56.840 18.873 17.894 1.00 0.00 H new ATOM 0 HG2 LYS B 566 54.671 16.809 18.534 1.00 0.00 H new ATOM 0 HG3 LYS B 566 56.198 16.902 19.388 1.00 0.00 H new ATOM 0 HD2 LYS B 566 55.125 18.380 20.800 1.00 0.00 H new ATOM 0 HD3 LYS B 566 55.341 19.558 19.521 1.00 0.00 H new ATOM 0 HE2 LYS B 566 53.011 19.692 19.864 1.00 0.00 H new ATOM 0 HE3 LYS B 566 53.086 18.539 18.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 566 51.666 17.733 20.335 1.00 0.00 H new ATOM 0 HZ2 LYS B 566 53.020 16.722 20.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 566 52.948 17.839 21.444 1.00 0.00 H new ATOM 1930 N LYS B 567 56.153 20.347 15.253 1.00 0.00 N ATOM 1931 CA LYS B 567 56.794 20.799 13.983 1.00 0.00 C ATOM 1932 C LYS B 567 58.303 20.650 14.133 1.00 0.00 C ATOM 1933 O LYS B 567 58.791 20.294 15.188 1.00 0.00 O ATOM 1934 CB LYS B 567 56.413 22.257 13.706 1.00 0.00 C ATOM 1935 CG LYS B 567 54.979 22.531 14.196 1.00 0.00 C ATOM 1936 CD LYS B 567 53.966 21.590 13.510 1.00 0.00 C ATOM 1937 CE LYS B 567 53.893 21.907 12.014 1.00 0.00 C ATOM 1938 NZ LYS B 567 52.653 21.311 11.442 1.00 0.00 N ATOM 0 H LYS B 567 56.106 21.052 15.988 1.00 0.00 H new ATOM 0 HA LYS B 567 56.452 20.196 13.142 1.00 0.00 H new ATOM 0 HB2 LYS B 567 57.112 22.926 14.209 1.00 0.00 H new ATOM 0 HB3 LYS B 567 56.487 22.464 12.638 1.00 0.00 H new ATOM 0 HG2 LYS B 567 54.929 22.398 15.277 1.00 0.00 H new ATOM 0 HG3 LYS B 567 54.713 23.568 13.990 1.00 0.00 H new ATOM 0 HD2 LYS B 567 54.263 20.552 13.657 1.00 0.00 H new ATOM 0 HD3 LYS B 567 52.982 21.707 13.964 1.00 0.00 H new ATOM 0 HE2 LYS B 567 53.896 22.986 11.859 1.00 0.00 H new ATOM 0 HE3 LYS B 567 54.770 21.509 11.503 1.00 0.00 H new ATOM 0 HZ1 LYS B 567 52.241 21.967 10.748 1.00 0.00 H new ATOM 0 HZ2 LYS B 567 52.884 20.411 10.974 1.00 0.00 H new ATOM 0 HZ3 LYS B 567 51.967 21.138 12.204 1.00 0.00 H new ATOM 1952 N PHE B 568 59.059 20.891 13.098 1.00 0.00 N ATOM 1953 CA PHE B 568 60.532 20.719 13.240 1.00 0.00 C ATOM 1954 C PHE B 568 61.252 21.484 12.140 1.00 0.00 C ATOM 1955 O PHE B 568 60.915 21.385 10.977 1.00 0.00 O ATOM 1956 CB PHE B 568 60.871 19.207 13.130 1.00 0.00 C ATOM 1957 CG PHE B 568 61.197 18.632 14.498 1.00 0.00 C ATOM 1958 CD1 PHE B 568 62.283 19.136 15.223 1.00 0.00 C ATOM 1959 CD2 PHE B 568 60.414 17.600 15.037 1.00 0.00 C ATOM 1960 CE1 PHE B 568 62.589 18.611 16.484 1.00 0.00 C ATOM 1961 CE2 PHE B 568 60.721 17.076 16.299 1.00 0.00 C ATOM 1962 CZ PHE B 568 61.807 17.581 17.022 1.00 0.00 C ATOM 0 H PHE B 568 58.731 21.193 12.180 1.00 0.00 H new ATOM 0 HA PHE B 568 60.855 21.105 14.207 1.00 0.00 H new ATOM 0 HB2 PHE B 568 60.028 18.670 12.695 1.00 0.00 H new ATOM 0 HB3 PHE B 568 61.718 19.066 12.459 1.00 0.00 H new ATOM 0 HD1 PHE B 568 62.886 19.931 14.809 1.00 0.00 H new ATOM 0 HD2 PHE B 568 59.575 17.210 14.479 1.00 0.00 H new ATOM 0 HE1 PHE B 568 63.428 19.000 17.042 1.00 0.00 H new ATOM 0 HE2 PHE B 568 60.119 16.281 16.714 1.00 0.00 H new ATOM 0 HZ PHE B 568 62.042 17.177 17.995 1.00 0.00 H new ATOM 1972 N HIS B 569 62.282 22.201 12.491 1.00 0.00 N ATOM 1973 CA HIS B 569 63.060 22.914 11.453 1.00 0.00 C ATOM 1974 C HIS B 569 63.484 21.833 10.444 1.00 0.00 C ATOM 1975 O HIS B 569 64.217 20.935 10.810 1.00 0.00 O ATOM 1976 CB HIS B 569 64.317 23.522 12.085 1.00 0.00 C ATOM 1977 CG HIS B 569 64.043 24.891 12.639 1.00 0.00 C ATOM 1978 ND1 HIS B 569 64.227 25.174 13.979 1.00 0.00 N ATOM 1979 CD2 HIS B 569 63.660 26.069 12.050 1.00 0.00 C ATOM 1980 CE1 HIS B 569 63.969 26.480 14.155 1.00 0.00 C ATOM 1981 NE2 HIS B 569 63.615 27.075 13.011 1.00 0.00 N ATOM 0 H HIS B 569 62.614 22.321 13.448 1.00 0.00 H new ATOM 0 HA HIS B 569 62.482 23.713 10.989 1.00 0.00 H new ATOM 0 HB2 HIS B 569 64.677 22.871 12.881 1.00 0.00 H new ATOM 0 HB3 HIS B 569 65.109 23.581 11.339 1.00 0.00 H new ATOM 0 HD1 HIS B 569 64.508 24.512 14.702 1.00 0.00 H new ATOM 0 HD2 HIS B 569 63.429 26.196 11.003 1.00 0.00 H new ATOM 0 HE1 HIS B 569 64.039 26.988 15.105 1.00 0.00 H new ATOM 1988 N PRO B 570 63.028 21.859 9.218 1.00 0.00 N ATOM 1989 CA PRO B 570 63.413 20.792 8.264 1.00 0.00 C ATOM 1990 C PRO B 570 64.916 20.494 8.313 1.00 0.00 C ATOM 1991 O PRO B 570 65.382 19.523 7.758 1.00 0.00 O ATOM 1992 CB PRO B 570 62.974 21.395 6.926 1.00 0.00 C ATOM 1993 CG PRO B 570 61.893 22.438 7.243 1.00 0.00 C ATOM 1994 CD PRO B 570 62.124 22.914 8.683 1.00 0.00 C ATOM 0 HA PRO B 570 62.956 19.825 8.472 1.00 0.00 H new ATOM 0 HB2 PRO B 570 63.819 21.857 6.414 1.00 0.00 H new ATOM 0 HB3 PRO B 570 62.584 20.623 6.263 1.00 0.00 H new ATOM 0 HG2 PRO B 570 61.952 23.275 6.548 1.00 0.00 H new ATOM 0 HG3 PRO B 570 60.898 22.005 7.137 1.00 0.00 H new ATOM 0 HD2 PRO B 570 62.585 23.901 8.717 1.00 0.00 H new ATOM 0 HD3 PRO B 570 61.193 22.977 9.246 1.00 0.00 H new ATOM 2002 N GLU B 571 65.674 21.323 8.988 1.00 0.00 N ATOM 2003 CA GLU B 571 67.145 21.097 9.085 1.00 0.00 C ATOM 2004 C GLU B 571 67.492 20.463 10.438 1.00 0.00 C ATOM 2005 O GLU B 571 68.147 19.448 10.523 1.00 0.00 O ATOM 2006 CB GLU B 571 67.852 22.453 8.978 1.00 0.00 C ATOM 2007 CG GLU B 571 67.093 23.333 7.993 1.00 0.00 C ATOM 2008 CD GLU B 571 67.934 24.562 7.646 1.00 0.00 C ATOM 2009 OE1 GLU B 571 67.519 25.656 7.991 1.00 0.00 O ATOM 2010 OE2 GLU B 571 68.979 24.389 7.041 1.00 0.00 O ATOM 0 H GLU B 571 65.333 22.150 9.478 1.00 0.00 H new ATOM 0 HA GLU B 571 67.465 20.430 8.285 1.00 0.00 H new ATOM 0 HB2 GLU B 571 67.895 22.933 9.956 1.00 0.00 H new ATOM 0 HB3 GLU B 571 68.881 22.316 8.645 1.00 0.00 H new ATOM 0 HG2 GLU B 571 66.865 22.770 7.088 1.00 0.00 H new ATOM 0 HG3 GLU B 571 66.141 23.642 8.425 1.00 0.00 H new ATOM 2017 N HIS B 572 67.062 21.060 11.502 1.00 0.00 N ATOM 2018 CA HIS B 572 67.389 20.490 12.842 1.00 0.00 C ATOM 2019 C HIS B 572 66.926 19.037 12.914 1.00 0.00 C ATOM 2020 O HIS B 572 67.211 18.336 13.865 1.00 0.00 O ATOM 2021 CB HIS B 572 66.732 21.330 13.943 1.00 0.00 C ATOM 2022 CG HIS B 572 67.095 22.773 13.696 1.00 0.00 C ATOM 2023 ND1 HIS B 572 66.385 23.863 14.210 1.00 0.00 N ATOM 2024 CD2 HIS B 572 68.123 23.319 12.964 1.00 0.00 C ATOM 2025 CE1 HIS B 572 67.002 24.979 13.775 1.00 0.00 C ATOM 2026 NE2 HIS B 572 68.061 24.704 13.016 1.00 0.00 N ATOM 0 H HIS B 572 66.502 21.912 11.512 1.00 0.00 H new ATOM 0 HA HIS B 572 68.468 20.515 12.992 1.00 0.00 H new ATOM 0 HB2 HIS B 572 65.650 21.200 13.929 1.00 0.00 H new ATOM 0 HB3 HIS B 572 67.079 21.011 14.926 1.00 0.00 H new ATOM 0 HD2 HIS B 572 68.870 22.753 12.427 1.00 0.00 H new ATOM 0 HE1 HIS B 572 66.676 25.980 14.014 1.00 0.00 H new ATOM 0 HE2 HIS B 572 68.692 25.369 12.569 1.00 0.00 H new ATOM 2033 N PHE B 573 66.240 18.571 11.899 1.00 0.00 N ATOM 2034 CA PHE B 573 65.780 17.148 11.875 1.00 0.00 C ATOM 2035 C PHE B 573 66.310 16.506 10.593 1.00 0.00 C ATOM 2036 O PHE B 573 65.572 15.936 9.815 1.00 0.00 O ATOM 2037 CB PHE B 573 64.248 17.105 11.885 1.00 0.00 C ATOM 2038 CG PHE B 573 63.772 15.738 12.330 1.00 0.00 C ATOM 2039 CD1 PHE B 573 63.885 15.362 13.675 1.00 0.00 C ATOM 2040 CD2 PHE B 573 63.215 14.849 11.400 1.00 0.00 C ATOM 2041 CE1 PHE B 573 63.443 14.100 14.089 1.00 0.00 C ATOM 2042 CE2 PHE B 573 62.774 13.587 11.815 1.00 0.00 C ATOM 2043 CZ PHE B 573 62.887 13.213 13.159 1.00 0.00 C ATOM 0 H PHE B 573 65.977 19.120 11.080 1.00 0.00 H new ATOM 0 HA PHE B 573 66.149 16.610 12.748 1.00 0.00 H new ATOM 0 HB2 PHE B 573 63.859 17.871 12.556 1.00 0.00 H new ATOM 0 HB3 PHE B 573 63.863 17.327 10.890 1.00 0.00 H new ATOM 0 HD1 PHE B 573 64.313 16.046 14.393 1.00 0.00 H new ATOM 0 HD2 PHE B 573 63.126 15.138 10.363 1.00 0.00 H new ATOM 0 HE1 PHE B 573 63.531 13.810 15.126 1.00 0.00 H new ATOM 0 HE2 PHE B 573 62.346 12.902 11.098 1.00 0.00 H new ATOM 0 HZ PHE B 573 62.545 12.240 13.479 1.00 0.00 H new ATOM 2053 N VAL B 574 67.593 16.616 10.366 1.00 0.00 N ATOM 2054 CA VAL B 574 68.202 16.040 9.132 1.00 0.00 C ATOM 2055 C VAL B 574 68.726 14.621 9.413 1.00 0.00 C ATOM 2056 O VAL B 574 68.688 14.139 10.528 1.00 0.00 O ATOM 2057 CB VAL B 574 69.398 16.892 8.686 1.00 0.00 C ATOM 2058 CG1 VAL B 574 68.930 18.247 8.095 1.00 0.00 C ATOM 2059 CG2 VAL B 574 70.323 17.113 9.891 1.00 0.00 C ATOM 0 H VAL B 574 68.250 17.085 10.989 1.00 0.00 H new ATOM 0 HA VAL B 574 67.435 16.020 8.357 1.00 0.00 H new ATOM 0 HB VAL B 574 69.940 16.368 7.899 1.00 0.00 H new ATOM 0 HG11 VAL B 574 69.799 18.829 7.788 1.00 0.00 H new ATOM 0 HG12 VAL B 574 68.291 18.066 7.231 1.00 0.00 H new ATOM 0 HG13 VAL B 574 68.371 18.800 8.850 1.00 0.00 H new ATOM 0 HG21 VAL B 574 71.178 17.718 9.588 1.00 0.00 H new ATOM 0 HG22 VAL B 574 69.776 17.629 10.680 1.00 0.00 H new ATOM 0 HG23 VAL B 574 70.673 16.150 10.262 1.00 0.00 H new ATOM 2069 N CYS B 575 69.232 13.967 8.400 1.00 0.00 N ATOM 2070 CA CYS B 575 69.790 12.585 8.572 1.00 0.00 C ATOM 2071 C CYS B 575 71.154 12.719 9.209 1.00 0.00 C ATOM 2072 O CYS B 575 71.874 13.649 8.902 1.00 0.00 O ATOM 2073 CB CYS B 575 69.905 11.915 7.184 1.00 0.00 C ATOM 2074 SG CYS B 575 71.555 11.194 6.901 1.00 0.00 S ATOM 0 H CYS B 575 69.285 14.332 7.449 1.00 0.00 H new ATOM 0 HA CYS B 575 69.146 11.971 9.202 1.00 0.00 H new ATOM 0 HB2 CYS B 575 69.149 11.134 7.096 1.00 0.00 H new ATOM 0 HB3 CYS B 575 69.694 12.651 6.409 1.00 0.00 H new ATOM 0 HG CYS B 575 72.065 11.692 5.814 1.00 0.00 H new ATOM 2079 N ALA B 576 71.554 11.818 10.079 1.00 0.00 N ATOM 2080 CA ALA B 576 72.916 12.013 10.651 1.00 0.00 C ATOM 2081 C ALA B 576 73.947 11.273 9.784 1.00 0.00 C ATOM 2082 O ALA B 576 74.570 10.315 10.193 1.00 0.00 O ATOM 2083 CB ALA B 576 72.926 11.432 12.076 1.00 0.00 C ATOM 0 H ALA B 576 71.029 11.004 10.400 1.00 0.00 H new ATOM 0 HA ALA B 576 73.169 13.073 10.675 1.00 0.00 H new ATOM 0 HB1 ALA B 576 73.915 11.564 12.516 1.00 0.00 H new ATOM 0 HB2 ALA B 576 72.186 11.951 12.686 1.00 0.00 H new ATOM 0 HB3 ALA B 576 72.684 10.370 12.038 1.00 0.00 H new ATOM 2089 N PHE B 577 74.210 11.845 8.639 1.00 0.00 N ATOM 2090 CA PHE B 577 75.287 11.390 7.708 1.00 0.00 C ATOM 2091 C PHE B 577 75.638 12.655 6.938 1.00 0.00 C ATOM 2092 O PHE B 577 76.697 13.240 7.049 1.00 0.00 O ATOM 2093 CB PHE B 577 74.833 10.277 6.733 1.00 0.00 C ATOM 2094 CG PHE B 577 76.042 9.479 6.218 1.00 0.00 C ATOM 2095 CD1 PHE B 577 75.870 8.150 5.778 1.00 0.00 C ATOM 2096 CD2 PHE B 577 77.336 10.049 6.171 1.00 0.00 C ATOM 2097 CE1 PHE B 577 76.964 7.416 5.307 1.00 0.00 C ATOM 2098 CE2 PHE B 577 78.416 9.302 5.699 1.00 0.00 C ATOM 2099 CZ PHE B 577 78.232 7.993 5.269 1.00 0.00 C ATOM 0 H PHE B 577 73.693 12.653 8.294 1.00 0.00 H new ATOM 0 HA PHE B 577 76.120 10.947 8.254 1.00 0.00 H new ATOM 0 HB2 PHE B 577 74.137 9.607 7.237 1.00 0.00 H new ATOM 0 HB3 PHE B 577 74.298 10.719 5.892 1.00 0.00 H new ATOM 0 HD1 PHE B 577 74.890 7.697 5.805 1.00 0.00 H new ATOM 0 HD2 PHE B 577 77.488 11.066 6.502 1.00 0.00 H new ATOM 0 HE1 PHE B 577 76.825 6.399 4.972 1.00 0.00 H new ATOM 0 HE2 PHE B 577 79.401 9.744 5.668 1.00 0.00 H new ATOM 0 HZ PHE B 577 79.073 7.422 4.905 1.00 0.00 H new ATOM 2109 N CYS B 578 74.649 13.074 6.181 1.00 0.00 N ATOM 2110 CA CYS B 578 74.709 14.311 5.368 1.00 0.00 C ATOM 2111 C CYS B 578 73.739 15.285 6.030 1.00 0.00 C ATOM 2112 O CYS B 578 72.579 15.372 5.684 1.00 0.00 O ATOM 2113 CB CYS B 578 74.245 14.006 3.943 1.00 0.00 C ATOM 2114 SG CYS B 578 72.610 13.224 3.990 1.00 0.00 S ATOM 0 H CYS B 578 73.763 12.575 6.098 1.00 0.00 H new ATOM 0 HA CYS B 578 75.718 14.719 5.316 1.00 0.00 H new ATOM 0 HB2 CYS B 578 74.203 14.925 3.359 1.00 0.00 H new ATOM 0 HB3 CYS B 578 74.960 13.348 3.450 1.00 0.00 H new ATOM 0 HG CYS B 578 71.822 13.912 4.762 1.00 0.00 H new ATOM 2119 N LEU B 579 74.207 15.960 7.026 1.00 0.00 N ATOM 2120 CA LEU B 579 73.356 16.893 7.808 1.00 0.00 C ATOM 2121 C LEU B 579 72.630 17.932 6.928 1.00 0.00 C ATOM 2122 O LEU B 579 72.157 18.921 7.454 1.00 0.00 O ATOM 2123 CB LEU B 579 74.231 17.626 8.871 1.00 0.00 C ATOM 2124 CG LEU B 579 75.745 17.545 8.541 1.00 0.00 C ATOM 2125 CD1 LEU B 579 76.310 16.158 8.936 1.00 0.00 C ATOM 2126 CD2 LEU B 579 76.024 17.859 7.048 1.00 0.00 C ATOM 0 H LEU B 579 75.174 15.906 7.345 1.00 0.00 H new ATOM 0 HA LEU B 579 72.584 16.294 8.291 1.00 0.00 H new ATOM 0 HB2 LEU B 579 73.929 18.672 8.929 1.00 0.00 H new ATOM 0 HB3 LEU B 579 74.051 17.187 9.852 1.00 0.00 H new ATOM 0 HG LEU B 579 76.257 18.306 9.129 1.00 0.00 H new ATOM 0 HD11 LEU B 579 77.373 16.117 8.698 1.00 0.00 H new ATOM 0 HD12 LEU B 579 76.171 16.000 10.005 1.00 0.00 H new ATOM 0 HD13 LEU B 579 75.784 15.380 8.383 1.00 0.00 H new ATOM 0 HD21 LEU B 579 77.095 17.792 6.856 1.00 0.00 H new ATOM 0 HD22 LEU B 579 75.497 17.140 6.420 1.00 0.00 H new ATOM 0 HD23 LEU B 579 75.676 18.866 6.817 1.00 0.00 H new ATOM 2138 N LYS B 580 72.537 17.783 5.618 1.00 0.00 N ATOM 2139 CA LYS B 580 71.842 18.877 4.853 1.00 0.00 C ATOM 2140 C LYS B 580 70.321 18.662 4.767 1.00 0.00 C ATOM 2141 O LYS B 580 69.576 19.615 4.885 1.00 0.00 O ATOM 2142 CB LYS B 580 72.461 18.972 3.425 1.00 0.00 C ATOM 2143 CG LYS B 580 71.708 18.121 2.369 1.00 0.00 C ATOM 2144 CD LYS B 580 71.925 16.624 2.638 1.00 0.00 C ATOM 2145 CE LYS B 580 70.767 15.814 2.053 1.00 0.00 C ATOM 2146 NZ LYS B 580 70.423 16.338 0.701 1.00 0.00 N ATOM 0 H LYS B 580 72.891 16.997 5.072 1.00 0.00 H new ATOM 0 HA LYS B 580 71.993 19.813 5.391 1.00 0.00 H new ATOM 0 HB2 LYS B 580 72.463 20.014 3.106 1.00 0.00 H new ATOM 0 HB3 LYS B 580 73.501 18.649 3.466 1.00 0.00 H new ATOM 0 HG2 LYS B 580 70.643 18.352 2.398 1.00 0.00 H new ATOM 0 HG3 LYS B 580 72.062 18.373 1.369 1.00 0.00 H new ATOM 0 HD2 LYS B 580 72.867 16.299 2.195 1.00 0.00 H new ATOM 0 HD3 LYS B 580 71.999 16.446 3.711 1.00 0.00 H new ATOM 0 HE2 LYS B 580 71.043 14.762 1.987 1.00 0.00 H new ATOM 0 HE3 LYS B 580 69.899 15.875 2.709 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 69.942 15.596 0.153 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 69.794 17.161 0.797 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 71.293 16.623 0.208 1.00 0.00 H new ATOM 2160 N GLN B 581 69.813 17.459 4.595 1.00 0.00 N ATOM 2161 CA GLN B 581 68.318 17.345 4.556 1.00 0.00 C ATOM 2162 C GLN B 581 67.770 15.933 4.782 1.00 0.00 C ATOM 2163 O GLN B 581 68.272 14.953 4.266 1.00 0.00 O ATOM 2164 CB GLN B 581 67.785 17.905 3.241 1.00 0.00 C ATOM 2165 CG GLN B 581 66.270 18.124 3.342 1.00 0.00 C ATOM 2166 CD GLN B 581 65.976 19.352 4.202 1.00 0.00 C ATOM 2167 OE1 GLN B 581 65.672 20.409 3.686 1.00 0.00 O ATOM 2168 NE2 GLN B 581 66.052 19.260 5.497 1.00 0.00 N ATOM 0 H GLN B 581 70.339 16.592 4.485 1.00 0.00 H new ATOM 0 HA GLN B 581 67.962 17.933 5.402 1.00 0.00 H new ATOM 0 HB2 GLN B 581 68.283 18.847 3.009 1.00 0.00 H new ATOM 0 HB3 GLN B 581 68.008 17.217 2.426 1.00 0.00 H new ATOM 0 HG2 GLN B 581 65.846 18.257 2.347 1.00 0.00 H new ATOM 0 HG3 GLN B 581 65.795 17.244 3.776 1.00 0.00 H new ATOM 0 HE21 GLN B 581 66.307 18.373 5.931 1.00 0.00 H new ATOM 0 HE22 GLN B 581 65.856 20.075 6.079 1.00 0.00 H new ATOM 2177 N LEU B 582 66.672 15.863 5.486 1.00 0.00 N ATOM 2178 CA LEU B 582 65.954 14.572 5.710 1.00 0.00 C ATOM 2179 C LEU B 582 64.454 14.834 5.528 1.00 0.00 C ATOM 2180 O LEU B 582 64.027 15.966 5.432 1.00 0.00 O ATOM 2181 CB LEU B 582 66.224 14.093 7.122 1.00 0.00 C ATOM 2182 CG LEU B 582 65.789 12.635 7.333 1.00 0.00 C ATOM 2183 CD1 LEU B 582 66.535 11.698 6.358 1.00 0.00 C ATOM 2184 CD2 LEU B 582 66.097 12.248 8.790 1.00 0.00 C ATOM 0 H LEU B 582 66.230 16.669 5.928 1.00 0.00 H new ATOM 0 HA LEU B 582 66.292 13.810 5.007 1.00 0.00 H new ATOM 0 HB2 LEU B 582 67.288 14.188 7.339 1.00 0.00 H new ATOM 0 HB3 LEU B 582 65.696 14.734 7.828 1.00 0.00 H new ATOM 0 HG LEU B 582 64.722 12.535 7.136 1.00 0.00 H new ATOM 0 HD11 LEU B 582 66.213 10.670 6.523 1.00 0.00 H new ATOM 0 HD12 LEU B 582 66.311 11.988 5.331 1.00 0.00 H new ATOM 0 HD13 LEU B 582 67.609 11.774 6.530 1.00 0.00 H new ATOM 0 HD21 LEU B 582 65.796 11.215 8.963 1.00 0.00 H new ATOM 0 HD22 LEU B 582 67.166 12.350 8.975 1.00 0.00 H new ATOM 0 HD23 LEU B 582 65.547 12.904 9.465 1.00 0.00 H new ATOM 2196 N ASN B 583 63.652 13.806 5.484 1.00 0.00 N ATOM 2197 CA ASN B 583 62.179 14.006 5.309 1.00 0.00 C ATOM 2198 C ASN B 583 61.430 12.936 6.103 1.00 0.00 C ATOM 2199 O ASN B 583 61.698 11.758 5.985 1.00 0.00 O ATOM 2200 CB ASN B 583 61.819 13.887 3.821 1.00 0.00 C ATOM 2201 CG ASN B 583 62.149 15.187 3.095 1.00 0.00 C ATOM 2202 OD1 ASN B 583 62.438 16.191 3.713 1.00 0.00 O ATOM 2203 ND2 ASN B 583 62.109 15.207 1.796 1.00 0.00 N ATOM 0 H ASN B 583 63.950 12.834 5.561 1.00 0.00 H new ATOM 0 HA ASN B 583 61.897 14.995 5.670 1.00 0.00 H new ATOM 0 HB2 ASN B 583 62.369 13.061 3.371 1.00 0.00 H new ATOM 0 HB3 ASN B 583 60.758 13.660 3.713 1.00 0.00 H new ATOM 0 HD21 ASN B 583 62.321 16.068 1.292 1.00 0.00 H new ATOM 0 HD22 ASN B 583 61.866 14.361 1.280 1.00 0.00 H new ATOM 2210 N LYS B 584 60.488 13.343 6.905 1.00 0.00 N ATOM 2211 CA LYS B 584 59.710 12.366 7.711 1.00 0.00 C ATOM 2212 C LYS B 584 59.181 11.258 6.804 1.00 0.00 C ATOM 2213 O LYS B 584 58.866 10.172 7.246 1.00 0.00 O ATOM 2214 CB LYS B 584 58.523 13.080 8.344 1.00 0.00 C ATOM 2215 CG LYS B 584 57.801 13.877 7.250 1.00 0.00 C ATOM 2216 CD LYS B 584 56.574 14.604 7.818 1.00 0.00 C ATOM 2217 CE LYS B 584 55.672 13.630 8.581 1.00 0.00 C ATOM 2218 NZ LYS B 584 54.292 14.186 8.659 1.00 0.00 N ATOM 0 H LYS B 584 60.222 14.319 7.037 1.00 0.00 H new ATOM 0 HA LYS B 584 60.353 11.939 8.480 1.00 0.00 H new ATOM 0 HB2 LYS B 584 57.844 12.358 8.799 1.00 0.00 H new ATOM 0 HB3 LYS B 584 58.860 13.745 9.139 1.00 0.00 H new ATOM 0 HG2 LYS B 584 58.486 14.602 6.811 1.00 0.00 H new ATOM 0 HG3 LYS B 584 57.492 13.205 6.450 1.00 0.00 H new ATOM 0 HD2 LYS B 584 56.896 15.406 8.483 1.00 0.00 H new ATOM 0 HD3 LYS B 584 56.013 15.068 7.007 1.00 0.00 H new ATOM 0 HE2 LYS B 584 55.658 12.662 8.079 1.00 0.00 H new ATOM 0 HE3 LYS B 584 56.065 13.463 9.584 1.00 0.00 H new ATOM 0 HZ1 LYS B 584 53.798 13.775 9.476 1.00 0.00 H new ATOM 0 HZ2 LYS B 584 54.340 15.219 8.767 1.00 0.00 H new ATOM 0 HZ3 LYS B 584 53.774 13.953 7.788 1.00 0.00 H new ATOM 2232 N GLY B 585 59.067 11.535 5.538 1.00 0.00 N ATOM 2233 CA GLY B 585 58.547 10.513 4.590 1.00 0.00 C ATOM 2234 C GLY B 585 59.698 9.639 4.125 1.00 0.00 C ATOM 2235 O GLY B 585 59.509 8.550 3.619 1.00 0.00 O ATOM 0 H GLY B 585 59.313 12.430 5.116 1.00 0.00 H new ATOM 0 HA2 GLY B 585 57.784 9.904 5.074 1.00 0.00 H new ATOM 0 HA3 GLY B 585 58.074 10.998 3.736 1.00 0.00 H new ATOM 2239 N THR B 586 60.894 10.117 4.301 1.00 0.00 N ATOM 2240 CA THR B 586 62.100 9.344 3.886 1.00 0.00 C ATOM 2241 C THR B 586 63.114 9.370 5.018 1.00 0.00 C ATOM 2242 O THR B 586 64.304 9.250 4.805 1.00 0.00 O ATOM 2243 CB THR B 586 62.706 9.984 2.639 1.00 0.00 C ATOM 2244 OG1 THR B 586 63.542 11.066 3.026 1.00 0.00 O ATOM 2245 CG2 THR B 586 61.576 10.498 1.745 1.00 0.00 C ATOM 0 H THR B 586 61.093 11.025 4.721 1.00 0.00 H new ATOM 0 HA THR B 586 61.824 8.313 3.663 1.00 0.00 H new ATOM 0 HB THR B 586 63.298 9.250 2.093 1.00 0.00 H new ATOM 0 HG1 THR B 586 63.934 11.478 2.228 1.00 0.00 H new ATOM 0 HG21 THR B 586 61.999 10.957 0.851 1.00 0.00 H new ATOM 0 HG22 THR B 586 60.934 9.666 1.456 1.00 0.00 H new ATOM 0 HG23 THR B 586 60.989 11.238 2.290 1.00 0.00 H new ATOM 2253 N PHE B 587 62.652 9.528 6.230 1.00 0.00 N ATOM 2254 CA PHE B 587 63.603 9.563 7.384 1.00 0.00 C ATOM 2255 C PHE B 587 63.827 8.147 7.920 1.00 0.00 C ATOM 2256 O PHE B 587 62.975 7.538 8.533 1.00 0.00 O ATOM 2257 CB PHE B 587 63.077 10.485 8.500 1.00 0.00 C ATOM 2258 CG PHE B 587 62.038 9.797 9.377 1.00 0.00 C ATOM 2259 CD1 PHE B 587 60.955 9.112 8.804 1.00 0.00 C ATOM 2260 CD2 PHE B 587 62.162 9.852 10.774 1.00 0.00 C ATOM 2261 CE1 PHE B 587 60.007 8.488 9.623 1.00 0.00 C ATOM 2262 CE2 PHE B 587 61.212 9.227 11.589 1.00 0.00 C ATOM 2263 CZ PHE B 587 60.136 8.544 11.014 1.00 0.00 C ATOM 0 H PHE B 587 61.667 9.634 6.472 1.00 0.00 H new ATOM 0 HA PHE B 587 64.555 9.964 7.036 1.00 0.00 H new ATOM 0 HB2 PHE B 587 63.911 10.814 9.119 1.00 0.00 H new ATOM 0 HB3 PHE B 587 62.639 11.378 8.054 1.00 0.00 H new ATOM 0 HD1 PHE B 587 60.853 9.066 7.730 1.00 0.00 H new ATOM 0 HD2 PHE B 587 62.993 10.378 11.221 1.00 0.00 H new ATOM 0 HE1 PHE B 587 59.174 7.962 9.180 1.00 0.00 H new ATOM 0 HE2 PHE B 587 61.310 9.272 12.664 1.00 0.00 H new ATOM 0 HZ PHE B 587 59.405 8.060 11.644 1.00 0.00 H new ATOM 2273 N LYS B 588 64.991 7.628 7.679 1.00 0.00 N ATOM 2274 CA LYS B 588 65.342 6.262 8.148 1.00 0.00 C ATOM 2275 C LYS B 588 66.170 6.422 9.429 1.00 0.00 C ATOM 2276 O LYS B 588 66.567 7.514 9.778 1.00 0.00 O ATOM 2277 CB LYS B 588 66.140 5.572 7.014 1.00 0.00 C ATOM 2278 CG LYS B 588 65.647 4.131 6.709 1.00 0.00 C ATOM 2279 CD LYS B 588 64.112 4.001 6.521 1.00 0.00 C ATOM 2280 CE LYS B 588 63.495 5.228 5.835 1.00 0.00 C ATOM 2281 NZ LYS B 588 62.280 4.804 5.083 1.00 0.00 N ATOM 0 H LYS B 588 65.733 8.103 7.165 1.00 0.00 H new ATOM 0 HA LYS B 588 64.471 5.647 8.374 1.00 0.00 H new ATOM 0 HB2 LYS B 588 66.066 6.174 6.108 1.00 0.00 H new ATOM 0 HB3 LYS B 588 67.194 5.538 7.289 1.00 0.00 H new ATOM 0 HG2 LYS B 588 66.142 3.775 5.806 1.00 0.00 H new ATOM 0 HG3 LYS B 588 65.957 3.475 7.522 1.00 0.00 H new ATOM 0 HD2 LYS B 588 63.896 3.112 5.929 1.00 0.00 H new ATOM 0 HD3 LYS B 588 63.641 3.858 7.494 1.00 0.00 H new ATOM 0 HE2 LYS B 588 63.234 5.983 6.577 1.00 0.00 H new ATOM 0 HE3 LYS B 588 64.217 5.683 5.157 1.00 0.00 H new ATOM 0 HZ1 LYS B 588 61.856 5.630 4.615 1.00 0.00 H new ATOM 0 HZ2 LYS B 588 62.544 4.098 4.367 1.00 0.00 H new ATOM 0 HZ3 LYS B 588 61.591 4.388 5.742 1.00 0.00 H new ATOM 2295 N GLU B 589 66.403 5.365 10.155 1.00 0.00 N ATOM 2296 CA GLU B 589 67.172 5.506 11.428 1.00 0.00 C ATOM 2297 C GLU B 589 67.907 4.211 11.763 1.00 0.00 C ATOM 2298 O GLU B 589 67.548 3.129 11.343 1.00 0.00 O ATOM 2299 CB GLU B 589 66.197 5.881 12.559 1.00 0.00 C ATOM 2300 CG GLU B 589 66.784 5.550 13.938 1.00 0.00 C ATOM 2301 CD GLU B 589 65.949 6.240 15.019 1.00 0.00 C ATOM 2302 OE1 GLU B 589 65.119 5.573 15.616 1.00 0.00 O ATOM 2303 OE2 GLU B 589 66.154 7.424 15.232 1.00 0.00 O ATOM 0 H GLU B 589 66.099 4.418 9.928 1.00 0.00 H new ATOM 0 HA GLU B 589 67.920 6.291 11.314 1.00 0.00 H new ATOM 0 HB2 GLU B 589 65.968 6.945 12.506 1.00 0.00 H new ATOM 0 HB3 GLU B 589 65.257 5.345 12.424 1.00 0.00 H new ATOM 0 HG2 GLU B 589 66.786 4.472 14.096 1.00 0.00 H new ATOM 0 HG3 GLU B 589 67.821 5.882 13.995 1.00 0.00 H new ATOM 2310 N GLN B 590 68.931 4.350 12.544 1.00 0.00 N ATOM 2311 CA GLN B 590 69.745 3.195 12.984 1.00 0.00 C ATOM 2312 C GLN B 590 70.314 3.560 14.354 1.00 0.00 C ATOM 2313 O GLN B 590 70.649 4.699 14.597 1.00 0.00 O ATOM 2314 CB GLN B 590 70.897 2.954 11.985 1.00 0.00 C ATOM 2315 CG GLN B 590 71.423 1.495 12.085 1.00 0.00 C ATOM 2316 CD GLN B 590 70.940 0.660 10.891 1.00 0.00 C ATOM 2317 OE1 GLN B 590 70.953 1.123 9.769 1.00 0.00 O ATOM 2318 NE2 GLN B 590 70.522 -0.562 11.082 1.00 0.00 N ATOM 0 H GLN B 590 69.248 5.248 12.908 1.00 0.00 H new ATOM 0 HA GLN B 590 69.146 2.286 13.034 1.00 0.00 H new ATOM 0 HB2 GLN B 590 70.551 3.151 10.970 1.00 0.00 H new ATOM 0 HB3 GLN B 590 71.710 3.652 12.186 1.00 0.00 H new ATOM 0 HG2 GLN B 590 72.513 1.498 12.116 1.00 0.00 H new ATOM 0 HG3 GLN B 590 71.079 1.042 13.015 1.00 0.00 H new ATOM 0 HE21 GLN B 590 70.509 -0.955 12.023 1.00 0.00 H new ATOM 0 HE22 GLN B 590 70.208 -1.123 10.290 1.00 0.00 H new ATOM 2327 N ASN B 591 70.435 2.617 15.243 1.00 0.00 N ATOM 2328 CA ASN B 591 70.987 2.919 16.600 1.00 0.00 C ATOM 2329 C ASN B 591 70.411 4.248 17.133 1.00 0.00 C ATOM 2330 O ASN B 591 71.032 4.910 17.935 1.00 0.00 O ATOM 2331 CB ASN B 591 72.532 2.979 16.553 1.00 0.00 C ATOM 2332 CG ASN B 591 73.001 3.392 15.169 1.00 0.00 C ATOM 2333 OD1 ASN B 591 73.602 4.434 14.994 1.00 0.00 O ATOM 2334 ND2 ASN B 591 72.746 2.605 14.176 1.00 0.00 N ATOM 0 H ASN B 591 70.175 1.642 15.091 1.00 0.00 H new ATOM 0 HA ASN B 591 70.693 2.119 17.279 1.00 0.00 H new ATOM 0 HB2 ASN B 591 72.898 3.688 17.295 1.00 0.00 H new ATOM 0 HB3 ASN B 591 72.949 2.005 16.810 1.00 0.00 H new ATOM 0 HD21 ASN B 591 73.050 2.856 13.235 1.00 0.00 H new ATOM 0 HD22 ASN B 591 72.241 1.733 14.333 1.00 0.00 H new ATOM 2341 N ASP B 592 69.223 4.621 16.696 1.00 0.00 N ATOM 2342 CA ASP B 592 68.561 5.892 17.169 1.00 0.00 C ATOM 2343 C ASP B 592 69.049 7.101 16.361 1.00 0.00 C ATOM 2344 O ASP B 592 68.539 8.196 16.498 1.00 0.00 O ATOM 2345 CB ASP B 592 68.854 6.142 18.654 1.00 0.00 C ATOM 2346 CG ASP B 592 68.824 4.818 19.424 1.00 0.00 C ATOM 2347 OD1 ASP B 592 67.765 4.215 19.484 1.00 0.00 O ATOM 2348 OD2 ASP B 592 69.859 4.431 19.940 1.00 0.00 O ATOM 0 H ASP B 592 68.675 4.089 16.020 1.00 0.00 H new ATOM 0 HA ASP B 592 67.488 5.769 17.024 1.00 0.00 H new ATOM 0 HB2 ASP B 592 69.829 6.615 18.766 1.00 0.00 H new ATOM 0 HB3 ASP B 592 68.117 6.830 19.068 1.00 0.00 H new ATOM 2353 N LYS B 593 70.037 6.919 15.542 1.00 0.00 N ATOM 2354 CA LYS B 593 70.578 8.046 14.741 1.00 0.00 C ATOM 2355 C LYS B 593 69.802 8.169 13.413 1.00 0.00 C ATOM 2356 O LYS B 593 69.847 7.263 12.604 1.00 0.00 O ATOM 2357 CB LYS B 593 72.034 7.731 14.436 1.00 0.00 C ATOM 2358 CG LYS B 593 72.817 7.522 15.745 1.00 0.00 C ATOM 2359 CD LYS B 593 74.292 7.885 15.529 1.00 0.00 C ATOM 2360 CE LYS B 593 75.063 7.742 16.844 1.00 0.00 C ATOM 2361 NZ LYS B 593 76.324 8.534 16.766 1.00 0.00 N ATOM 0 H LYS B 593 70.502 6.024 15.390 1.00 0.00 H new ATOM 0 HA LYS B 593 70.483 8.982 15.292 1.00 0.00 H new ATOM 0 HB2 LYS B 593 72.098 6.835 13.818 1.00 0.00 H new ATOM 0 HB3 LYS B 593 72.478 8.546 13.864 1.00 0.00 H new ATOM 0 HG2 LYS B 593 72.393 8.140 16.536 1.00 0.00 H new ATOM 0 HG3 LYS B 593 72.731 6.485 16.070 1.00 0.00 H new ATOM 0 HD2 LYS B 593 74.728 7.236 14.770 1.00 0.00 H new ATOM 0 HD3 LYS B 593 74.373 8.907 15.159 1.00 0.00 H new ATOM 0 HE2 LYS B 593 74.452 8.091 17.677 1.00 0.00 H new ATOM 0 HE3 LYS B 593 75.290 6.693 17.033 1.00 0.00 H new ATOM 0 HZ1 LYS B 593 76.942 8.282 17.563 1.00 0.00 H new ATOM 0 HZ2 LYS B 593 76.811 8.325 15.871 1.00 0.00 H new ATOM 0 HZ3 LYS B 593 76.100 9.549 16.809 1.00 0.00 H new ATOM 2375 N PRO B 594 69.100 9.262 13.158 1.00 0.00 N ATOM 2376 CA PRO B 594 68.353 9.396 11.873 1.00 0.00 C ATOM 2377 C PRO B 594 69.225 9.083 10.649 1.00 0.00 C ATOM 2378 O PRO B 594 70.437 9.047 10.730 1.00 0.00 O ATOM 2379 CB PRO B 594 67.933 10.870 11.905 1.00 0.00 C ATOM 2380 CG PRO B 594 67.977 11.328 13.364 1.00 0.00 C ATOM 2381 CD PRO B 594 68.981 10.424 14.094 1.00 0.00 C ATOM 0 HA PRO B 594 67.521 8.697 11.784 1.00 0.00 H new ATOM 0 HB2 PRO B 594 68.604 11.473 11.293 1.00 0.00 H new ATOM 0 HB3 PRO B 594 66.931 10.992 11.495 1.00 0.00 H new ATOM 0 HG2 PRO B 594 68.281 12.373 13.430 1.00 0.00 H new ATOM 0 HG3 PRO B 594 66.990 11.254 13.820 1.00 0.00 H new ATOM 0 HD2 PRO B 594 69.938 10.921 14.249 1.00 0.00 H new ATOM 0 HD3 PRO B 594 68.617 10.120 15.075 1.00 0.00 H new ATOM 2389 N TYR B 595 68.612 8.855 9.520 1.00 0.00 N ATOM 2390 CA TYR B 595 69.399 8.540 8.290 1.00 0.00 C ATOM 2391 C TYR B 595 68.470 8.542 7.071 1.00 0.00 C ATOM 2392 O TYR B 595 67.385 7.998 7.114 1.00 0.00 O ATOM 2393 CB TYR B 595 69.998 7.124 8.397 1.00 0.00 C ATOM 2394 CG TYR B 595 71.288 7.108 9.189 1.00 0.00 C ATOM 2395 CD1 TYR B 595 71.384 6.357 10.369 1.00 0.00 C ATOM 2396 CD2 TYR B 595 72.402 7.802 8.716 1.00 0.00 C ATOM 2397 CE1 TYR B 595 72.594 6.310 11.072 1.00 0.00 C ATOM 2398 CE2 TYR B 595 73.612 7.757 9.426 1.00 0.00 C ATOM 2399 CZ TYR B 595 73.705 7.010 10.601 1.00 0.00 C ATOM 2400 OH TYR B 595 74.897 6.963 11.295 1.00 0.00 O ATOM 0 H TYR B 595 67.600 8.873 9.394 1.00 0.00 H new ATOM 0 HA TYR B 595 70.186 9.287 8.187 1.00 0.00 H new ATOM 0 HB2 TYR B 595 69.275 6.460 8.870 1.00 0.00 H new ATOM 0 HB3 TYR B 595 70.183 6.733 7.397 1.00 0.00 H new ATOM 0 HD1 TYR B 595 70.525 5.815 10.736 1.00 0.00 H new ATOM 0 HD2 TYR B 595 72.333 8.374 7.803 1.00 0.00 H new ATOM 0 HE1 TYR B 595 72.667 5.731 11.981 1.00 0.00 H new ATOM 0 HE2 TYR B 595 74.471 8.301 9.063 1.00 0.00 H new ATOM 0 HH TYR B 595 75.568 7.505 10.830 1.00 0.00 H new ATOM 2410 N CYS B 596 68.908 9.071 5.964 1.00 0.00 N ATOM 2411 CA CYS B 596 68.054 8.996 4.748 1.00 0.00 C ATOM 2412 C CYS B 596 68.033 7.531 4.367 1.00 0.00 C ATOM 2413 O CYS B 596 68.930 6.797 4.722 1.00 0.00 O ATOM 2414 CB CYS B 596 68.656 9.804 3.586 1.00 0.00 C ATOM 2415 SG CYS B 596 69.230 11.416 4.161 1.00 0.00 S ATOM 0 H CYS B 596 69.804 9.544 5.849 1.00 0.00 H new ATOM 0 HA CYS B 596 67.063 9.404 4.946 1.00 0.00 H new ATOM 0 HB2 CYS B 596 69.486 9.253 3.145 1.00 0.00 H new ATOM 0 HB3 CYS B 596 67.909 9.936 2.803 1.00 0.00 H new ATOM 0 HG CYS B 596 69.735 12.078 3.163 1.00 0.00 H new ATOM 2420 N GLN B 597 67.060 7.071 3.649 1.00 0.00 N ATOM 2421 CA GLN B 597 67.101 5.640 3.293 1.00 0.00 C ATOM 2422 C GLN B 597 68.389 5.426 2.493 1.00 0.00 C ATOM 2423 O GLN B 597 69.220 4.614 2.840 1.00 0.00 O ATOM 2424 CB GLN B 597 65.825 5.269 2.503 1.00 0.00 C ATOM 2425 CG GLN B 597 66.060 4.106 1.522 1.00 0.00 C ATOM 2426 CD GLN B 597 65.920 2.771 2.254 1.00 0.00 C ATOM 2427 OE1 GLN B 597 65.608 1.762 1.654 1.00 0.00 O ATOM 2428 NE2 GLN B 597 66.141 2.728 3.534 1.00 0.00 N ATOM 0 H GLN B 597 66.262 7.604 3.303 1.00 0.00 H new ATOM 0 HA GLN B 597 67.114 4.989 4.167 1.00 0.00 H new ATOM 0 HB2 GLN B 597 65.034 4.997 3.202 1.00 0.00 H new ATOM 0 HB3 GLN B 597 65.476 6.142 1.951 1.00 0.00 H new ATOM 0 HG2 GLN B 597 65.342 4.159 0.703 1.00 0.00 H new ATOM 0 HG3 GLN B 597 67.053 4.186 1.081 1.00 0.00 H new ATOM 0 HE21 GLN B 597 66.403 3.577 4.035 1.00 0.00 H new ATOM 0 HE22 GLN B 597 66.053 1.845 4.037 1.00 0.00 H new ATOM 2437 N ASN B 598 68.565 6.166 1.434 1.00 0.00 N ATOM 2438 CA ASN B 598 69.801 6.024 0.615 1.00 0.00 C ATOM 2439 C ASN B 598 71.019 5.995 1.543 1.00 0.00 C ATOM 2440 O ASN B 598 72.013 5.352 1.266 1.00 0.00 O ATOM 2441 CB ASN B 598 69.904 7.209 -0.360 1.00 0.00 C ATOM 2442 CG ASN B 598 68.507 7.670 -0.752 1.00 0.00 C ATOM 2443 OD1 ASN B 598 68.156 8.821 -0.579 1.00 0.00 O ATOM 2444 ND2 ASN B 598 67.693 6.809 -1.277 1.00 0.00 N ATOM 0 H ASN B 598 67.903 6.866 1.099 1.00 0.00 H new ATOM 0 HA ASN B 598 69.765 5.097 0.043 1.00 0.00 H new ATOM 0 HB2 ASN B 598 70.452 8.029 0.105 1.00 0.00 H new ATOM 0 HB3 ASN B 598 70.464 6.915 -1.248 1.00 0.00 H new ATOM 0 HD21 ASN B 598 66.752 7.096 -1.547 1.00 0.00 H new ATOM 0 HD22 ASN B 598 67.993 5.845 -1.420 1.00 0.00 H new ATOM 2451 N CYS B 599 70.937 6.678 2.652 1.00 0.00 N ATOM 2452 CA CYS B 599 72.070 6.685 3.608 1.00 0.00 C ATOM 2453 C CYS B 599 72.016 5.400 4.433 1.00 0.00 C ATOM 2454 O CYS B 599 72.955 4.641 4.464 1.00 0.00 O ATOM 2455 CB CYS B 599 71.943 7.897 4.540 1.00 0.00 C ATOM 2456 SG CYS B 599 72.377 9.414 3.650 1.00 0.00 S ATOM 0 H CYS B 599 70.129 7.232 2.934 1.00 0.00 H new ATOM 0 HA CYS B 599 73.016 6.745 3.069 1.00 0.00 H new ATOM 0 HB2 CYS B 599 70.924 7.968 4.920 1.00 0.00 H new ATOM 0 HB3 CYS B 599 72.597 7.772 5.403 1.00 0.00 H new ATOM 0 HG CYS B 599 71.386 10.253 3.713 1.00 0.00 H new ATOM 2461 N PHE B 600 70.907 5.166 5.091 1.00 0.00 N ATOM 2462 CA PHE B 600 70.732 3.942 5.938 1.00 0.00 C ATOM 2463 C PHE B 600 70.872 2.675 5.086 1.00 0.00 C ATOM 2464 O PHE B 600 71.626 1.778 5.404 1.00 0.00 O ATOM 2465 CB PHE B 600 69.321 4.001 6.567 1.00 0.00 C ATOM 2466 CG PHE B 600 68.811 2.624 6.947 1.00 0.00 C ATOM 2467 CD1 PHE B 600 68.142 1.831 6.004 1.00 0.00 C ATOM 2468 CD2 PHE B 600 69.001 2.150 8.246 1.00 0.00 C ATOM 2469 CE1 PHE B 600 67.669 0.564 6.366 1.00 0.00 C ATOM 2470 CE2 PHE B 600 68.528 0.883 8.609 1.00 0.00 C ATOM 2471 CZ PHE B 600 67.862 0.090 7.668 1.00 0.00 C ATOM 0 H PHE B 600 70.097 5.786 5.077 1.00 0.00 H new ATOM 0 HA PHE B 600 71.497 3.911 6.713 1.00 0.00 H new ATOM 0 HB2 PHE B 600 69.345 4.636 7.453 1.00 0.00 H new ATOM 0 HB3 PHE B 600 68.629 4.462 5.863 1.00 0.00 H new ATOM 0 HD1 PHE B 600 67.992 2.197 4.999 1.00 0.00 H new ATOM 0 HD2 PHE B 600 69.514 2.762 8.973 1.00 0.00 H new ATOM 0 HE1 PHE B 600 67.155 -0.048 5.640 1.00 0.00 H new ATOM 0 HE2 PHE B 600 68.677 0.518 9.615 1.00 0.00 H new ATOM 0 HZ PHE B 600 67.497 -0.888 7.947 1.00 0.00 H new ATOM 2481 N LEU B 601 70.125 2.580 4.030 1.00 0.00 N ATOM 2482 CA LEU B 601 70.190 1.362 3.188 1.00 0.00 C ATOM 2483 C LEU B 601 71.648 1.068 2.830 1.00 0.00 C ATOM 2484 O LEU B 601 72.085 -0.061 2.871 1.00 0.00 O ATOM 2485 CB LEU B 601 69.291 1.577 1.937 1.00 0.00 C ATOM 2486 CG LEU B 601 70.093 1.701 0.620 1.00 0.00 C ATOM 2487 CD1 LEU B 601 70.730 0.343 0.229 1.00 0.00 C ATOM 2488 CD2 LEU B 601 69.138 2.164 -0.488 1.00 0.00 C ATOM 0 H LEU B 601 69.470 3.295 3.712 1.00 0.00 H new ATOM 0 HA LEU B 601 69.814 0.490 3.722 1.00 0.00 H new ATOM 0 HB2 LEU B 601 68.593 0.744 1.852 1.00 0.00 H new ATOM 0 HB3 LEU B 601 68.695 2.479 2.077 1.00 0.00 H new ATOM 0 HG LEU B 601 70.898 2.423 0.756 1.00 0.00 H new ATOM 0 HD11 LEU B 601 71.288 0.457 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU B 601 71.405 0.017 1.020 1.00 0.00 H new ATOM 0 HD13 LEU B 601 69.945 -0.401 0.092 1.00 0.00 H new ATOM 0 HD21 LEU B 601 69.686 2.257 -1.425 1.00 0.00 H new ATOM 0 HD22 LEU B 601 68.337 1.434 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU B 601 68.711 3.130 -0.220 1.00 0.00 H new ATOM 2500 N LYS B 602 72.402 2.065 2.474 1.00 0.00 N ATOM 2501 CA LYS B 602 73.821 1.811 2.102 1.00 0.00 C ATOM 2502 C LYS B 602 74.567 1.156 3.275 1.00 0.00 C ATOM 2503 O LYS B 602 75.605 0.561 3.090 1.00 0.00 O ATOM 2504 CB LYS B 602 74.510 3.149 1.703 1.00 0.00 C ATOM 2505 CG LYS B 602 74.794 3.212 0.176 1.00 0.00 C ATOM 2506 CD LYS B 602 76.036 4.080 -0.102 1.00 0.00 C ATOM 2507 CE LYS B 602 77.308 3.220 0.005 1.00 0.00 C ATOM 2508 NZ LYS B 602 77.498 2.463 -1.265 1.00 0.00 N ATOM 0 H LYS B 602 72.102 3.039 2.424 1.00 0.00 H new ATOM 0 HA LYS B 602 73.849 1.132 1.250 1.00 0.00 H new ATOM 0 HB2 LYS B 602 73.874 3.986 1.990 1.00 0.00 H new ATOM 0 HB3 LYS B 602 75.445 3.256 2.253 1.00 0.00 H new ATOM 0 HG2 LYS B 602 74.951 2.206 -0.213 1.00 0.00 H new ATOM 0 HG3 LYS B 602 73.930 3.624 -0.345 1.00 0.00 H new ATOM 0 HD2 LYS B 602 75.967 4.522 -1.096 1.00 0.00 H new ATOM 0 HD3 LYS B 602 76.082 4.904 0.610 1.00 0.00 H new ATOM 0 HE2 LYS B 602 78.174 3.853 0.198 1.00 0.00 H new ATOM 0 HE3 LYS B 602 77.225 2.530 0.844 1.00 0.00 H new ATOM 0 HZ1 LYS B 602 77.659 1.458 -1.050 1.00 0.00 H new ATOM 0 HZ2 LYS B 602 76.648 2.558 -1.856 1.00 0.00 H new ATOM 0 HZ3 LYS B 602 78.320 2.843 -1.776 1.00 0.00 H new ATOM 2522 N LEU B 603 74.074 1.277 4.479 1.00 0.00 N ATOM 2523 CA LEU B 603 74.801 0.672 5.643 1.00 0.00 C ATOM 2524 C LEU B 603 74.290 -0.750 5.910 1.00 0.00 C ATOM 2525 O LEU B 603 75.051 -1.698 5.926 1.00 0.00 O ATOM 2526 CB LEU B 603 74.582 1.541 6.896 1.00 0.00 C ATOM 2527 CG LEU B 603 74.380 3.001 6.490 1.00 0.00 C ATOM 2528 CD1 LEU B 603 74.219 3.868 7.742 1.00 0.00 C ATOM 2529 CD2 LEU B 603 75.586 3.495 5.674 1.00 0.00 C ATOM 0 H LEU B 603 73.208 1.763 4.710 1.00 0.00 H new ATOM 0 HA LEU B 603 75.865 0.627 5.409 1.00 0.00 H new ATOM 0 HB2 LEU B 603 73.712 1.185 7.448 1.00 0.00 H new ATOM 0 HB3 LEU B 603 75.440 1.456 7.563 1.00 0.00 H new ATOM 0 HG LEU B 603 73.481 3.076 5.878 1.00 0.00 H new ATOM 0 HD11 LEU B 603 74.075 4.908 7.448 1.00 0.00 H new ATOM 0 HD12 LEU B 603 73.353 3.529 8.311 1.00 0.00 H new ATOM 0 HD13 LEU B 603 75.114 3.786 8.359 1.00 0.00 H new ATOM 0 HD21 LEU B 603 75.431 4.536 5.390 1.00 0.00 H new ATOM 0 HD22 LEU B 603 76.491 3.414 6.276 1.00 0.00 H new ATOM 0 HD23 LEU B 603 75.692 2.886 4.776 1.00 0.00 H new ATOM 2541 N PHE B 604 73.009 -0.897 6.137 1.00 0.00 N ATOM 2542 CA PHE B 604 72.428 -2.247 6.427 1.00 0.00 C ATOM 2543 C PHE B 604 71.636 -2.750 5.208 1.00 0.00 C ATOM 2544 O PHE B 604 70.655 -3.452 5.350 1.00 0.00 O ATOM 2545 CB PHE B 604 71.502 -2.141 7.660 1.00 0.00 C ATOM 2546 CG PHE B 604 72.313 -2.283 8.934 1.00 0.00 C ATOM 2547 CD1 PHE B 604 72.926 -1.161 9.516 1.00 0.00 C ATOM 2548 CD2 PHE B 604 72.449 -3.541 9.533 1.00 0.00 C ATOM 2549 CE1 PHE B 604 73.670 -1.304 10.693 1.00 0.00 C ATOM 2550 CE2 PHE B 604 73.194 -3.681 10.710 1.00 0.00 C ATOM 2551 CZ PHE B 604 73.805 -2.563 11.290 1.00 0.00 C ATOM 0 H PHE B 604 72.333 -0.133 6.134 1.00 0.00 H new ATOM 0 HA PHE B 604 73.229 -2.956 6.635 1.00 0.00 H new ATOM 0 HB2 PHE B 604 70.984 -1.182 7.654 1.00 0.00 H new ATOM 0 HB3 PHE B 604 70.737 -2.917 7.618 1.00 0.00 H new ATOM 0 HD1 PHE B 604 72.823 -0.189 9.056 1.00 0.00 H new ATOM 0 HD2 PHE B 604 71.979 -4.405 9.087 1.00 0.00 H new ATOM 0 HE1 PHE B 604 74.141 -0.442 11.141 1.00 0.00 H new ATOM 0 HE2 PHE B 604 73.297 -4.652 11.171 1.00 0.00 H new ATOM 0 HZ PHE B 604 74.380 -2.672 12.198 1.00 0.00 H new ATOM 2561 N CYS B 605 72.055 -2.396 4.013 1.00 0.00 N ATOM 2562 CA CYS B 605 71.327 -2.860 2.784 1.00 0.00 C ATOM 2563 C CYS B 605 70.925 -4.333 2.944 1.00 0.00 C ATOM 2564 O CYS B 605 69.753 -4.584 3.172 1.00 0.00 O ATOM 2565 CB CYS B 605 72.241 -2.715 1.554 1.00 0.00 C ATOM 2566 SG CYS B 605 71.590 -3.697 0.176 1.00 0.00 S ATOM 2567 OXT CYS B 605 71.796 -5.180 2.837 1.00 0.00 O ATOM 0 H CYS B 605 72.868 -1.807 3.836 1.00 0.00 H new ATOM 0 HA CYS B 605 70.433 -2.251 2.649 1.00 0.00 H new ATOM 0 HB2 CYS B 605 72.309 -1.667 1.263 1.00 0.00 H new ATOM 0 HB3 CYS B 605 73.251 -3.044 1.800 1.00 0.00 H new ATOM 0 HG CYS B 605 72.369 -3.565 -0.857 1.00 0.00 H new