USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 808 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 14 LYS NZ :NH3+ 159:sc= 1.6 (180deg=-0.453!) USER MOD Set 1.2: B 81 ASN : amide:sc= 0.589! C(o=2.2!,f=-9.3!) USER MOD Set 2.1: B 18 LYS NZ :NH3+ -116:sc= 0.114 (180deg=-0.101) USER MOD Set 2.2: B 76 ASN : amide:sc= 0.445 K(o=0.56,f=-0.1) USER MOD Set 3.1: B 45 HIS : no HD1:sc= -3.65! C(o=-3.6!,f=-6.2!) USER MOD Set 3.2: B 75 THR OG1 : rot 170:sc= 0 USER MOD Set 4.1: B 56 SER OG : rot 37:sc= 0.468! USER MOD Set 4.2: B 64 GLN : amide:sc= -2.89! C(o=-2.4!,f=-6.7!) USER MOD Set 5.1: B 13 LYS NZ :NH3+ -179:sc= -0.167 (180deg=-0.169) USER MOD Set 5.2: B 25 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: B 17 GLN :FLIP amide:sc= -0.0833 F(o=-1.9!,f=0.2) USER MOD Set 6.2: B 20 GLN :FLIP amide:sc= 0.284 F(o=-1.9,f=0.2) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 MET CE :methyl 151:sc= -0.274 (180deg=-1.98!) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -162:sc= -0.0568 (180deg=-0.41) USER MOD Single : B 47 TYR OH : rot 94:sc= 0.469 USER MOD Single : B 51 LYS NZ :NH3+ -134:sc= 1.29 (180deg=-0.359!) USER MOD Single : B 52 CYS SG : rot -151:sc= -4.18! USER MOD Single : B 53 GLN : amide:sc= -5.48! C(o=-5.5!,f=-13!) USER MOD Single : B 54 LYS NZ :NH3+ 160:sc= 1.06 (180deg=1.03) USER MOD Single : B 60 LYS NZ :NH3+ 141:sc= -1.69! (180deg=-4.76!) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN : amide:sc= -1.72 K(o=-1.7,f=-2.3!) USER MOD Single : B 70 HIS : no HE2:sc= -6.09! C(o=-6.1!,f=-7.9!) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS :FLIP no HD1:sc= -1.35 F(o=-2.3!,f=-1.4) USER MOD Single : B 80 SER OG : rot 22:sc= -1.31! USER MOD Single : B 83 SER OG : rot -46:sc= 1.01 USER MOD Single : B 84 THR OG1 : rot 67:sc= 1.17 USER MOD Single : B 87 LYS NZ :NH3+ 153:sc= 1.27 (180deg=1.19) USER MOD Single : B 93 LYS NZ :NH3+ -168:sc= 1.25 (180deg=0.687) USER MOD Single : B 97 GLN :FLIP amide:sc= -2.21 F(o=-3.3!,f=-2.2) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 102 LYS NZ :NH3+ 166:sc= 1.35 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 339 N ASP A 132 4.407 4.975 13.537 1.00 0.00 N ATOM 340 CA ASP A 132 3.029 5.412 13.682 1.00 0.00 C ATOM 341 C ASP A 132 2.264 5.138 12.416 1.00 0.00 C ATOM 342 O ASP A 132 2.087 6.001 11.555 1.00 0.00 O ATOM 343 CB ASP A 132 2.940 6.876 14.031 1.00 0.00 C ATOM 344 CG ASP A 132 1.517 7.325 14.321 1.00 0.00 C ATOM 345 OD1 ASP A 132 0.660 6.466 14.600 1.00 0.00 O ATOM 346 OD2 ASP A 132 1.250 8.545 14.226 1.00 0.00 O ATOM 0 HA ASP A 132 2.588 4.847 14.503 1.00 0.00 H new ATOM 0 HB2 ASP A 132 3.564 7.076 14.902 1.00 0.00 H new ATOM 0 HB3 ASP A 132 3.342 7.467 13.208 1.00 0.00 H new ATOM 351 N TRP A 133 1.865 3.908 12.292 1.00 0.00 N ATOM 352 CA TRP A 133 1.108 3.462 11.152 1.00 0.00 C ATOM 353 C TRP A 133 -0.103 2.675 11.618 1.00 0.00 C ATOM 354 O TRP A 133 -0.010 1.898 12.567 1.00 0.00 O ATOM 355 CB TRP A 133 1.947 2.544 10.252 1.00 0.00 C ATOM 356 CG TRP A 133 3.360 2.974 9.958 1.00 0.00 C ATOM 357 CD1 TRP A 133 4.443 2.870 10.779 1.00 0.00 C ATOM 358 CD2 TRP A 133 3.856 3.513 8.728 1.00 0.00 C ATOM 359 NE1 TRP A 133 5.564 3.331 10.137 1.00 0.00 N ATOM 360 CE2 TRP A 133 5.232 3.737 8.890 1.00 0.00 C ATOM 361 CE3 TRP A 133 3.273 3.839 7.513 1.00 0.00 C ATOM 362 CZ2 TRP A 133 6.032 4.269 7.886 1.00 0.00 C ATOM 363 CZ3 TRP A 133 4.067 4.366 6.518 1.00 0.00 C ATOM 364 CH2 TRP A 133 5.433 4.578 6.708 1.00 0.00 C ATOM 0 H TRP A 133 2.054 3.179 12.980 1.00 0.00 H new ATOM 0 HA TRP A 133 0.807 4.346 10.590 1.00 0.00 H new ATOM 0 HB2 TRP A 133 1.983 1.558 10.715 1.00 0.00 H new ATOM 0 HB3 TRP A 133 1.424 2.431 9.303 1.00 0.00 H new ATOM 0 HD1 TRP A 133 4.422 2.482 11.787 1.00 0.00 H new ATOM 0 HE1 TRP A 133 6.502 3.363 10.537 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.217 3.683 7.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.089 4.430 8.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 3.621 4.621 5.568 1.00 0.00 H new ATOM 0 HH2 TRP A 133 6.023 4.995 5.905 1.00 0.00 H new ATOM 375 N GLU A 134 -1.228 2.883 10.958 1.00 0.00 N ATOM 376 CA GLU A 134 -2.422 2.129 11.248 1.00 0.00 C ATOM 377 C GLU A 134 -2.139 0.775 10.636 1.00 0.00 C ATOM 378 O GLU A 134 -2.246 0.591 9.423 1.00 0.00 O ATOM 379 CB GLU A 134 -3.661 2.774 10.608 1.00 0.00 C ATOM 380 CG GLU A 134 -3.684 4.296 10.682 1.00 0.00 C ATOM 381 CD GLU A 134 -4.304 4.929 9.449 1.00 0.00 C ATOM 382 OE1 GLU A 134 -5.521 4.770 9.239 1.00 0.00 O ATOM 383 OE2 GLU A 134 -3.572 5.582 8.674 1.00 0.00 O ATOM 0 H GLU A 134 -1.334 3.573 10.214 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.640 2.079 12.315 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.714 2.472 9.562 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.553 2.384 11.098 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -4.243 4.605 11.565 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -2.666 4.666 10.803 1.00 0.00 H new ATOM 390 N GLU A 135 -1.707 -0.146 11.468 1.00 0.00 N ATOM 391 CA GLU A 135 -1.288 -1.442 10.996 1.00 0.00 C ATOM 392 C GLU A 135 -2.416 -2.280 10.410 1.00 0.00 C ATOM 393 O GLU A 135 -3.342 -2.724 11.087 1.00 0.00 O ATOM 394 CB GLU A 135 -0.509 -2.164 12.089 1.00 0.00 C ATOM 395 CG GLU A 135 -1.130 -2.099 13.467 1.00 0.00 C ATOM 396 CD GLU A 135 -0.094 -2.325 14.549 1.00 0.00 C ATOM 397 OE1 GLU A 135 0.979 -1.682 14.482 1.00 0.00 O ATOM 398 OE2 GLU A 135 -0.324 -3.159 15.439 1.00 0.00 O ATOM 0 H GLU A 135 -1.637 -0.019 12.478 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.620 -1.282 10.150 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.400 -3.211 11.805 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.494 -1.741 12.139 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -1.602 -1.127 13.610 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -1.915 -2.850 13.550 1.00 0.00 H new ATOM 405 N VAL A 136 -2.295 -2.440 9.103 1.00 0.00 N ATOM 406 CA VAL A 136 -3.204 -3.204 8.268 1.00 0.00 C ATOM 407 C VAL A 136 -2.827 -4.681 8.228 1.00 0.00 C ATOM 408 O VAL A 136 -1.654 -5.041 8.140 1.00 0.00 O ATOM 409 CB VAL A 136 -3.179 -2.626 6.857 1.00 0.00 C ATOM 410 CG1 VAL A 136 -4.093 -3.362 5.920 1.00 0.00 C ATOM 411 CG2 VAL A 136 -3.524 -1.170 6.922 1.00 0.00 C ATOM 0 H VAL A 136 -1.529 -2.024 8.574 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.206 -3.133 8.692 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.174 -2.747 6.452 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.038 -2.911 4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.788 -4.407 5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -5.117 -3.303 6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.509 -0.747 5.917 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.519 -1.051 7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -2.796 -0.651 7.545 1.00 0.00 H new ATOM 421 N GLU A 137 -3.839 -5.518 8.256 1.00 0.00 N ATOM 422 CA GLU A 137 -3.649 -6.968 8.283 1.00 0.00 C ATOM 423 C GLU A 137 -4.212 -7.684 7.073 1.00 0.00 C ATOM 424 O GLU A 137 -5.083 -7.160 6.389 1.00 0.00 O ATOM 425 CB GLU A 137 -4.277 -7.550 9.529 1.00 0.00 C ATOM 426 CG GLU A 137 -3.326 -7.544 10.686 1.00 0.00 C ATOM 427 CD GLU A 137 -2.288 -8.653 10.584 1.00 0.00 C ATOM 428 OE1 GLU A 137 -1.841 -8.954 9.454 1.00 0.00 O ATOM 429 OE2 GLU A 137 -1.918 -9.237 11.621 1.00 0.00 O ATOM 0 H GLU A 137 -4.816 -5.225 8.261 1.00 0.00 H new ATOM 0 HA GLU A 137 -2.570 -7.125 8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -5.168 -6.978 9.788 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -4.601 -8.572 9.330 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -2.821 -6.579 10.734 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -3.886 -7.657 11.615 1.00 0.00 H new ATOM 436 N GLU A 138 -3.650 -8.860 6.786 1.00 0.00 N ATOM 437 CA GLU A 138 -4.118 -9.694 5.685 1.00 0.00 C ATOM 438 C GLU A 138 -5.638 -9.858 5.803 1.00 0.00 C ATOM 439 O GLU A 138 -6.142 -10.558 6.680 1.00 0.00 O ATOM 440 CB GLU A 138 -3.405 -11.058 5.706 1.00 0.00 C ATOM 441 CG GLU A 138 -3.268 -11.669 7.098 1.00 0.00 C ATOM 442 CD GLU A 138 -2.286 -12.827 7.146 1.00 0.00 C ATOM 443 OE1 GLU A 138 -2.563 -13.885 6.532 1.00 0.00 O ATOM 444 OE2 GLU A 138 -1.221 -12.689 7.794 1.00 0.00 O ATOM 0 H GLU A 138 -2.866 -9.255 7.306 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.885 -9.219 4.732 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -3.953 -11.752 5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.412 -10.943 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -2.945 -10.897 7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -4.245 -12.015 7.434 1.00 0.00 H new ATOM 451 N LEU A 139 -6.358 -9.202 4.909 1.00 0.00 N ATOM 452 CA LEU A 139 -7.808 -9.199 4.936 1.00 0.00 C ATOM 453 C LEU A 139 -8.403 -10.189 3.940 1.00 0.00 C ATOM 454 O LEU A 139 -8.030 -10.224 2.768 1.00 0.00 O ATOM 455 CB LEU A 139 -8.300 -7.776 4.660 1.00 0.00 C ATOM 456 CG LEU A 139 -9.645 -7.638 3.949 1.00 0.00 C ATOM 457 CD1 LEU A 139 -10.792 -8.068 4.854 1.00 0.00 C ATOM 458 CD2 LEU A 139 -9.855 -6.206 3.482 1.00 0.00 C ATOM 0 H LEU A 139 -5.954 -8.658 4.146 1.00 0.00 H new ATOM 0 HA LEU A 139 -8.142 -9.521 5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -8.363 -7.248 5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -7.545 -7.266 4.061 1.00 0.00 H new ATOM 0 HG LEU A 139 -9.633 -8.295 3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -11.737 -7.959 4.321 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -10.657 -9.110 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -10.805 -7.443 5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -10.818 -6.125 2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -9.839 -5.537 4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -9.059 -5.928 2.791 1.00 0.00 H new ATOM 815 N VAL B 8 -0.253 -4.980 -13.412 1.00 0.00 N ATOM 816 CA VAL B 8 -0.214 -3.791 -12.584 1.00 0.00 C ATOM 817 C VAL B 8 -1.629 -3.268 -12.389 1.00 0.00 C ATOM 818 O VAL B 8 -2.137 -2.476 -13.180 1.00 0.00 O ATOM 819 CB VAL B 8 0.678 -2.698 -13.201 1.00 0.00 C ATOM 820 CG1 VAL B 8 0.912 -1.575 -12.204 1.00 0.00 C ATOM 821 CG2 VAL B 8 1.999 -3.295 -13.666 1.00 0.00 C ATOM 0 HA VAL B 8 0.218 -4.058 -11.619 1.00 0.00 H new ATOM 0 HB VAL B 8 0.167 -2.279 -14.068 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.544 -0.812 -12.657 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.044 -1.134 -11.922 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.404 -1.973 -11.316 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.620 -2.511 -14.100 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.517 -3.739 -12.816 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.807 -4.063 -14.415 1.00 0.00 H new ATOM 831 N LEU B 9 -2.253 -3.756 -11.335 1.00 0.00 N ATOM 832 CA LEU B 9 -3.619 -3.410 -10.987 1.00 0.00 C ATOM 833 C LEU B 9 -3.741 -1.957 -10.553 1.00 0.00 C ATOM 834 O LEU B 9 -4.640 -1.239 -10.986 1.00 0.00 O ATOM 835 CB LEU B 9 -4.087 -4.322 -9.853 1.00 0.00 C ATOM 836 CG LEU B 9 -3.797 -5.816 -10.054 1.00 0.00 C ATOM 837 CD1 LEU B 9 -4.206 -6.612 -8.831 1.00 0.00 C ATOM 838 CD2 LEU B 9 -4.506 -6.351 -11.286 1.00 0.00 C ATOM 0 H LEU B 9 -1.820 -4.413 -10.686 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.242 -3.545 -11.871 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.612 -3.997 -8.927 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.161 -4.191 -9.723 1.00 0.00 H new ATOM 0 HG LEU B 9 -2.723 -5.927 -10.201 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -3.991 -7.668 -8.996 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -3.648 -6.259 -7.964 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.273 -6.482 -8.653 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.282 -7.411 -11.403 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.582 -6.218 -11.173 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.163 -5.809 -12.167 1.00 0.00 H new ATOM 850 N LEU B 10 -2.838 -1.534 -9.690 1.00 0.00 N ATOM 851 CA LEU B 10 -2.864 -0.167 -9.184 1.00 0.00 C ATOM 852 C LEU B 10 -1.565 0.576 -9.461 1.00 0.00 C ATOM 853 O LEU B 10 -0.484 0.116 -9.101 1.00 0.00 O ATOM 854 CB LEU B 10 -3.163 -0.149 -7.687 1.00 0.00 C ATOM 855 CG LEU B 10 -3.767 1.160 -7.179 1.00 0.00 C ATOM 856 CD1 LEU B 10 -5.159 1.364 -7.753 1.00 0.00 C ATOM 857 CD2 LEU B 10 -3.809 1.181 -5.661 1.00 0.00 C ATOM 0 H LEU B 10 -2.080 -2.110 -9.324 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.662 0.350 -9.717 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.848 -0.965 -7.456 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -2.239 -0.344 -7.142 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.132 1.980 -7.514 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -5.573 2.301 -7.380 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -5.102 1.400 -8.841 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.802 0.538 -7.450 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -4.243 2.122 -5.322 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.418 0.351 -5.302 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.797 1.085 -5.268 1.00 0.00 H new ATOM 869 N ILE B 11 -1.682 1.729 -10.105 1.00 0.00 N ATOM 870 CA ILE B 11 -0.527 2.556 -10.415 1.00 0.00 C ATOM 871 C ILE B 11 -0.534 3.803 -9.544 1.00 0.00 C ATOM 872 O ILE B 11 -1.359 4.698 -9.725 1.00 0.00 O ATOM 873 CB ILE B 11 -0.495 2.971 -11.903 1.00 0.00 C ATOM 874 CG1 ILE B 11 -0.324 1.737 -12.793 1.00 0.00 C ATOM 875 CG2 ILE B 11 0.626 3.976 -12.155 1.00 0.00 C ATOM 876 CD1 ILE B 11 -0.339 2.042 -14.275 1.00 0.00 C ATOM 0 H ILE B 11 -2.571 2.113 -10.424 1.00 0.00 H new ATOM 0 HA ILE B 11 0.364 1.961 -10.212 1.00 0.00 H new ATOM 0 HB ILE B 11 -1.443 3.449 -12.152 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.617 1.248 -12.542 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.121 1.027 -12.570 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.633 4.257 -13.208 1.00 0.00 H new ATOM 0 HG22 ILE B 11 0.463 4.864 -11.544 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.584 3.526 -11.893 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.212 1.117 -14.838 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.290 2.502 -14.542 1.00 0.00 H new ATOM 0 HD13 ILE B 11 0.475 2.726 -14.514 1.00 0.00 H new ATOM 888 N VAL B 12 0.377 3.845 -8.590 1.00 0.00 N ATOM 889 CA VAL B 12 0.489 4.975 -7.686 1.00 0.00 C ATOM 890 C VAL B 12 1.635 5.876 -8.127 1.00 0.00 C ATOM 891 O VAL B 12 2.703 5.396 -8.514 1.00 0.00 O ATOM 892 CB VAL B 12 0.717 4.511 -6.233 1.00 0.00 C ATOM 893 CG1 VAL B 12 0.492 5.655 -5.260 1.00 0.00 C ATOM 894 CG2 VAL B 12 -0.193 3.338 -5.903 1.00 0.00 C ATOM 0 H VAL B 12 1.056 3.103 -8.420 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.448 5.530 -7.720 1.00 0.00 H new ATOM 0 HB VAL B 12 1.752 4.184 -6.135 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.658 5.304 -4.241 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.187 6.465 -5.483 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.531 6.018 -5.356 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.020 3.022 -4.874 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.234 3.641 -6.020 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.022 2.510 -6.578 1.00 0.00 H new ATOM 904 N LYS B 13 1.406 7.174 -8.077 1.00 0.00 N ATOM 905 CA LYS B 13 2.408 8.144 -8.487 1.00 0.00 C ATOM 906 C LYS B 13 3.173 8.695 -7.289 1.00 0.00 C ATOM 907 O LYS B 13 2.905 8.310 -6.157 1.00 0.00 O ATOM 908 CB LYS B 13 1.756 9.281 -9.277 1.00 0.00 C ATOM 909 CG LYS B 13 1.447 8.925 -10.727 1.00 0.00 C ATOM 910 CD LYS B 13 2.713 8.824 -11.569 1.00 0.00 C ATOM 911 CE LYS B 13 3.239 7.396 -11.639 1.00 0.00 C ATOM 912 NZ LYS B 13 4.589 7.332 -12.261 1.00 0.00 N ATOM 0 H LYS B 13 0.530 7.585 -7.755 1.00 0.00 H new ATOM 0 HA LYS B 13 3.124 7.634 -9.131 1.00 0.00 H new ATOM 0 HB2 LYS B 13 0.831 9.573 -8.779 1.00 0.00 H new ATOM 0 HB3 LYS B 13 2.416 10.149 -9.258 1.00 0.00 H new ATOM 0 HG2 LYS B 13 0.911 7.976 -10.762 1.00 0.00 H new ATOM 0 HG3 LYS B 13 0.787 9.680 -11.153 1.00 0.00 H new ATOM 0 HD2 LYS B 13 2.508 9.185 -12.577 1.00 0.00 H new ATOM 0 HD3 LYS B 13 3.481 9.473 -11.148 1.00 0.00 H new ATOM 0 HE2 LYS B 13 3.282 6.975 -10.634 1.00 0.00 H new ATOM 0 HE3 LYS B 13 2.545 6.781 -12.213 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 4.904 6.342 -12.306 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 4.547 7.726 -13.223 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 5.261 7.884 -11.690 1.00 0.00 H new ATOM 926 N LYS B 14 4.072 9.641 -7.582 1.00 0.00 N ATOM 927 CA LYS B 14 4.952 10.307 -6.610 1.00 0.00 C ATOM 928 C LYS B 14 5.079 9.588 -5.259 1.00 0.00 C ATOM 929 O LYS B 14 4.495 10.005 -4.259 1.00 0.00 O ATOM 930 CB LYS B 14 4.435 11.722 -6.369 1.00 0.00 C ATOM 931 CG LYS B 14 4.573 12.655 -7.560 1.00 0.00 C ATOM 932 CD LYS B 14 4.090 14.057 -7.214 1.00 0.00 C ATOM 933 CE LYS B 14 3.175 14.619 -8.292 1.00 0.00 C ATOM 934 NZ LYS B 14 1.829 14.955 -7.758 1.00 0.00 N ATOM 0 H LYS B 14 4.213 9.977 -8.535 1.00 0.00 H new ATOM 0 HA LYS B 14 5.949 10.300 -7.050 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.384 11.668 -6.086 1.00 0.00 H new ATOM 0 HB3 LYS B 14 4.971 12.152 -5.523 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.615 12.694 -7.877 1.00 0.00 H new ATOM 0 HG3 LYS B 14 3.998 12.265 -8.400 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.560 14.035 -6.262 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.948 14.716 -7.085 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.628 15.512 -8.723 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.075 13.892 -9.098 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 1.366 15.639 -8.389 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.253 14.091 -7.701 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 1.926 15.370 -6.809 1.00 0.00 H new ATOM 948 N VAL B 15 5.858 8.516 -5.241 1.00 0.00 N ATOM 949 CA VAL B 15 6.105 7.753 -4.025 1.00 0.00 C ATOM 950 C VAL B 15 7.583 7.858 -3.663 1.00 0.00 C ATOM 951 O VAL B 15 8.450 7.597 -4.493 1.00 0.00 O ATOM 952 CB VAL B 15 5.722 6.261 -4.183 1.00 0.00 C ATOM 953 CG1 VAL B 15 5.967 5.496 -2.890 1.00 0.00 C ATOM 954 CG2 VAL B 15 4.273 6.115 -4.613 1.00 0.00 C ATOM 0 H VAL B 15 6.335 8.151 -6.065 1.00 0.00 H new ATOM 0 HA VAL B 15 5.482 8.172 -3.235 1.00 0.00 H new ATOM 0 HB VAL B 15 6.357 5.837 -4.961 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.690 4.451 -3.028 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.022 5.560 -2.624 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.365 5.929 -2.091 1.00 0.00 H new ATOM 0 HG21 VAL B 15 4.029 5.058 -4.717 1.00 0.00 H new ATOM 0 HG22 VAL B 15 3.624 6.565 -3.862 1.00 0.00 H new ATOM 0 HG23 VAL B 15 4.125 6.617 -5.569 1.00 0.00 H new ATOM 964 N ARG B 16 7.871 8.251 -2.434 1.00 0.00 N ATOM 965 CA ARG B 16 9.242 8.399 -1.989 1.00 0.00 C ATOM 966 C ARG B 16 9.594 7.358 -0.943 1.00 0.00 C ATOM 967 O ARG B 16 8.960 7.283 0.102 1.00 0.00 O ATOM 968 CB ARG B 16 9.472 9.788 -1.382 1.00 0.00 C ATOM 969 CG ARG B 16 9.029 10.945 -2.260 1.00 0.00 C ATOM 970 CD ARG B 16 9.835 11.037 -3.540 1.00 0.00 C ATOM 971 NE ARG B 16 11.217 11.456 -3.297 1.00 0.00 N ATOM 972 CZ ARG B 16 11.792 12.503 -3.888 1.00 0.00 C ATOM 973 NH1 ARG B 16 11.091 13.274 -4.714 1.00 0.00 N ATOM 974 NH2 ARG B 16 13.070 12.780 -3.649 1.00 0.00 N ATOM 0 H ARG B 16 7.170 8.473 -1.727 1.00 0.00 H new ATOM 0 HA ARG B 16 9.877 8.267 -2.865 1.00 0.00 H new ATOM 0 HB2 ARG B 16 8.941 9.847 -0.432 1.00 0.00 H new ATOM 0 HB3 ARG B 16 10.533 9.902 -1.162 1.00 0.00 H new ATOM 0 HG2 ARG B 16 7.973 10.828 -2.506 1.00 0.00 H new ATOM 0 HG3 ARG B 16 9.126 11.878 -1.704 1.00 0.00 H new ATOM 0 HD2 ARG B 16 9.834 10.067 -4.038 1.00 0.00 H new ATOM 0 HD3 ARG B 16 9.357 11.744 -4.218 1.00 0.00 H new ATOM 0 HE ARG B 16 11.773 10.914 -2.636 1.00 0.00 H new ATOM 0 HH11 ARG B 16 10.110 13.065 -4.897 1.00 0.00 H new ATOM 0 HH12 ARG B 16 11.535 14.074 -5.164 1.00 0.00 H new ATOM 0 HH21 ARG B 16 13.609 12.192 -3.014 1.00 0.00 H new ATOM 0 HH22 ARG B 16 13.511 13.581 -4.101 1.00 0.00 H new ATOM 988 N GLN B 17 10.585 6.540 -1.221 1.00 0.00 N ATOM 989 CA GLN B 17 11.020 5.569 -0.242 1.00 0.00 C ATOM 990 C GLN B 17 12.331 6.068 0.345 1.00 0.00 C ATOM 991 O GLN B 17 13.371 6.042 -0.309 1.00 0.00 O ATOM 992 CB GLN B 17 11.132 4.152 -0.837 1.00 0.00 C ATOM 993 CG GLN B 17 12.177 3.986 -1.929 1.00 0.00 C ATOM 994 CD GLN B 17 13.438 3.298 -1.434 1.00 0.00 C ATOM 995 OE1 GLN B 17 13.295 2.426 -0.448 1.00 0.00 O flip ATOM 996 NE2 GLN B 17 14.531 3.549 -1.933 1.00 0.00 N flip ATOM 0 H GLN B 17 11.098 6.527 -2.103 1.00 0.00 H new ATOM 0 HA GLN B 17 10.278 5.475 0.551 1.00 0.00 H new ATOM 0 HB2 GLN B 17 11.359 3.454 -0.031 1.00 0.00 H new ATOM 0 HB3 GLN B 17 10.160 3.868 -1.241 1.00 0.00 H new ATOM 0 HG2 GLN B 17 11.751 3.408 -2.749 1.00 0.00 H new ATOM 0 HG3 GLN B 17 12.436 4.966 -2.330 1.00 0.00 H new ATOM 0 HE21 GLN B 17 14.602 4.227 -2.692 1.00 0.00 H new ATOM 0 HE22 GLN B 17 15.369 3.079 -1.589 1.00 0.00 H new ATOM 1005 N LYS B 18 12.250 6.601 1.557 1.00 0.00 N ATOM 1006 CA LYS B 18 13.413 7.154 2.240 1.00 0.00 C ATOM 1007 C LYS B 18 14.017 8.296 1.418 1.00 0.00 C ATOM 1008 O LYS B 18 15.217 8.326 1.151 1.00 0.00 O ATOM 1009 CB LYS B 18 14.453 6.065 2.528 1.00 0.00 C ATOM 1010 CG LYS B 18 14.098 5.201 3.730 1.00 0.00 C ATOM 1011 CD LYS B 18 14.155 6.003 5.023 1.00 0.00 C ATOM 1012 CE LYS B 18 13.387 5.325 6.147 1.00 0.00 C ATOM 1013 NZ LYS B 18 13.837 3.926 6.375 1.00 0.00 N ATOM 0 H LYS B 18 11.383 6.662 2.091 1.00 0.00 H new ATOM 0 HA LYS B 18 13.090 7.558 3.200 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.557 5.429 1.649 1.00 0.00 H new ATOM 0 HB3 LYS B 18 15.422 6.533 2.699 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.098 4.787 3.600 1.00 0.00 H new ATOM 0 HG3 LYS B 18 14.787 4.358 3.791 1.00 0.00 H new ATOM 0 HD2 LYS B 18 15.195 6.135 5.322 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.744 6.998 4.851 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.511 5.898 7.066 1.00 0.00 H new ATOM 0 HE3 LYS B 18 12.323 5.328 5.910 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.057 3.272 6.163 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 14.644 3.715 5.754 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 14.125 3.811 7.368 1.00 0.00 H new ATOM 1027 N LYS B 19 13.137 9.215 1.004 1.00 0.00 N ATOM 1028 CA LYS B 19 13.502 10.406 0.225 1.00 0.00 C ATOM 1029 C LYS B 19 13.826 10.090 -1.237 1.00 0.00 C ATOM 1030 O LYS B 19 14.254 10.976 -1.979 1.00 0.00 O ATOM 1031 CB LYS B 19 14.677 11.160 0.867 1.00 0.00 C ATOM 1032 CG LYS B 19 14.267 12.087 2.002 1.00 0.00 C ATOM 1033 CD LYS B 19 13.949 11.313 3.271 1.00 0.00 C ATOM 1034 CE LYS B 19 13.201 12.169 4.277 1.00 0.00 C ATOM 1035 NZ LYS B 19 14.056 13.239 4.854 1.00 0.00 N ATOM 0 H LYS B 19 12.138 9.152 1.203 1.00 0.00 H new ATOM 0 HA LYS B 19 12.619 11.045 0.234 1.00 0.00 H new ATOM 0 HB2 LYS B 19 15.398 10.435 1.245 1.00 0.00 H new ATOM 0 HB3 LYS B 19 15.185 11.744 0.099 1.00 0.00 H new ATOM 0 HG2 LYS B 19 15.070 12.797 2.200 1.00 0.00 H new ATOM 0 HG3 LYS B 19 13.395 12.667 1.701 1.00 0.00 H new ATOM 0 HD2 LYS B 19 13.351 10.436 3.023 1.00 0.00 H new ATOM 0 HD3 LYS B 19 14.875 10.951 3.718 1.00 0.00 H new ATOM 0 HE2 LYS B 19 12.335 12.621 3.793 1.00 0.00 H new ATOM 0 HE3 LYS B 19 12.824 11.536 5.080 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 13.502 13.797 5.535 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 14.870 12.810 5.339 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 14.396 13.861 4.092 1.00 0.00 H new ATOM 1049 N GLN B 20 13.583 8.863 -1.675 1.00 0.00 N ATOM 1050 CA GLN B 20 13.872 8.492 -3.058 1.00 0.00 C ATOM 1051 C GLN B 20 12.601 8.529 -3.899 1.00 0.00 C ATOM 1052 O GLN B 20 11.595 7.930 -3.532 1.00 0.00 O ATOM 1053 CB GLN B 20 14.519 7.108 -3.134 1.00 0.00 C ATOM 1054 CG GLN B 20 14.846 6.684 -4.556 1.00 0.00 C ATOM 1055 CD GLN B 20 16.038 5.749 -4.644 1.00 0.00 C ATOM 1056 OE1 GLN B 20 16.223 4.917 -3.634 1.00 0.00 O flip ATOM 1057 NE2 GLN B 20 16.781 5.768 -5.623 1.00 0.00 N flip ATOM 0 H GLN B 20 13.192 8.114 -1.104 1.00 0.00 H new ATOM 0 HA GLN B 20 14.578 9.219 -3.459 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.434 7.107 -2.541 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.848 6.374 -2.687 1.00 0.00 H new ATOM 0 HG2 GLN B 20 13.975 6.193 -4.991 1.00 0.00 H new ATOM 0 HG3 GLN B 20 15.044 7.572 -5.156 1.00 0.00 H new ATOM 0 HE21 GLN B 20 16.606 6.425 -6.383 1.00 0.00 H new ATOM 0 HE22 GLN B 20 17.573 5.127 -5.675 1.00 0.00 H new ATOM 1066 N ASP B 21 12.655 9.250 -5.015 1.00 0.00 N ATOM 1067 CA ASP B 21 11.508 9.388 -5.914 1.00 0.00 C ATOM 1068 C ASP B 21 11.206 8.088 -6.640 1.00 0.00 C ATOM 1069 O ASP B 21 12.111 7.313 -6.945 1.00 0.00 O ATOM 1070 CB ASP B 21 11.762 10.500 -6.943 1.00 0.00 C ATOM 1071 CG ASP B 21 12.681 10.064 -8.075 1.00 0.00 C ATOM 1072 OD1 ASP B 21 12.183 9.503 -9.074 1.00 0.00 O ATOM 1073 OD2 ASP B 21 13.905 10.290 -7.976 1.00 0.00 O ATOM 0 H ASP B 21 13.488 9.753 -5.322 1.00 0.00 H new ATOM 0 HA ASP B 21 10.645 9.648 -5.300 1.00 0.00 H new ATOM 0 HB2 ASP B 21 10.809 10.825 -7.361 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.200 11.361 -6.438 1.00 0.00 H new ATOM 1078 N GLY B 22 9.928 7.844 -6.888 1.00 0.00 N ATOM 1079 CA GLY B 22 9.530 6.654 -7.595 1.00 0.00 C ATOM 1080 C GLY B 22 8.031 6.508 -7.683 1.00 0.00 C ATOM 1081 O GLY B 22 7.283 7.325 -7.150 1.00 0.00 O ATOM 0 H GLY B 22 9.160 8.454 -6.609 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.949 6.676 -8.601 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.948 5.781 -7.094 1.00 0.00 H new ATOM 1085 N ALA B 23 7.599 5.475 -8.372 1.00 0.00 N ATOM 1086 CA ALA B 23 6.194 5.184 -8.533 1.00 0.00 C ATOM 1087 C ALA B 23 5.909 3.802 -7.976 1.00 0.00 C ATOM 1088 O ALA B 23 6.735 2.896 -8.101 1.00 0.00 O ATOM 1089 CB ALA B 23 5.797 5.270 -9.995 1.00 0.00 C ATOM 0 H ALA B 23 8.217 4.811 -8.838 1.00 0.00 H new ATOM 0 HA ALA B 23 5.604 5.920 -7.987 1.00 0.00 H new ATOM 0 HB1 ALA B 23 4.735 5.048 -10.097 1.00 0.00 H new ATOM 0 HB2 ALA B 23 5.995 6.275 -10.367 1.00 0.00 H new ATOM 0 HB3 ALA B 23 6.376 4.549 -10.572 1.00 0.00 H new ATOM 1095 N LEU B 24 4.747 3.635 -7.377 1.00 0.00 N ATOM 1096 CA LEU B 24 4.390 2.367 -6.776 1.00 0.00 C ATOM 1097 C LEU B 24 3.424 1.622 -7.699 1.00 0.00 C ATOM 1098 O LEU B 24 2.310 2.078 -7.945 1.00 0.00 O ATOM 1099 CB LEU B 24 3.755 2.622 -5.405 1.00 0.00 C ATOM 1100 CG LEU B 24 3.996 1.548 -4.341 1.00 0.00 C ATOM 1101 CD1 LEU B 24 2.922 1.610 -3.267 1.00 0.00 C ATOM 1102 CD2 LEU B 24 4.069 0.161 -4.950 1.00 0.00 C ATOM 0 H LEU B 24 4.035 4.361 -7.294 1.00 0.00 H new ATOM 0 HA LEU B 24 5.278 1.750 -6.639 1.00 0.00 H new ATOM 0 HB2 LEU B 24 4.130 3.572 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.679 2.735 -5.541 1.00 0.00 H new ATOM 0 HG LEU B 24 4.962 1.752 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU B 24 3.110 0.839 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.940 2.590 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.944 1.445 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU B 24 4.241 -0.573 -4.163 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.131 -0.064 -5.457 1.00 0.00 H new ATOM 0 HD23 LEU B 24 4.888 0.122 -5.668 1.00 0.00 H new ATOM 1114 N TYR B 25 3.860 0.485 -8.216 1.00 0.00 N ATOM 1115 CA TYR B 25 3.043 -0.305 -9.123 1.00 0.00 C ATOM 1116 C TYR B 25 2.572 -1.594 -8.454 1.00 0.00 C ATOM 1117 O TYR B 25 3.346 -2.533 -8.257 1.00 0.00 O ATOM 1118 CB TYR B 25 3.826 -0.619 -10.399 1.00 0.00 C ATOM 1119 CG TYR B 25 4.273 0.620 -11.146 1.00 0.00 C ATOM 1120 CD1 TYR B 25 3.379 1.341 -11.926 1.00 0.00 C ATOM 1121 CD2 TYR B 25 5.583 1.075 -11.059 1.00 0.00 C ATOM 1122 CE1 TYR B 25 3.778 2.479 -12.602 1.00 0.00 C ATOM 1123 CE2 TYR B 25 5.987 2.214 -11.728 1.00 0.00 C ATOM 1124 CZ TYR B 25 5.081 2.912 -12.499 1.00 0.00 C ATOM 1125 OH TYR B 25 5.479 4.053 -13.164 1.00 0.00 O ATOM 0 H TYR B 25 4.779 0.087 -8.022 1.00 0.00 H new ATOM 0 HA TYR B 25 2.161 0.279 -9.386 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.701 -1.216 -10.143 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.206 -1.228 -11.057 1.00 0.00 H new ATOM 0 HD1 TYR B 25 2.355 1.007 -12.006 1.00 0.00 H new ATOM 0 HD2 TYR B 25 6.296 0.530 -10.459 1.00 0.00 H new ATOM 0 HE1 TYR B 25 3.071 3.026 -13.208 1.00 0.00 H new ATOM 0 HE2 TYR B 25 7.008 2.557 -11.648 1.00 0.00 H new ATOM 0 HH TYR B 25 6.428 4.221 -12.986 1.00 0.00 H new ATOM 1135 N LEU B 26 1.298 -1.618 -8.099 1.00 0.00 N ATOM 1136 CA LEU B 26 0.693 -2.770 -7.453 1.00 0.00 C ATOM 1137 C LEU B 26 0.310 -3.833 -8.464 1.00 0.00 C ATOM 1138 O LEU B 26 -0.684 -3.693 -9.171 1.00 0.00 O ATOM 1139 CB LEU B 26 -0.560 -2.349 -6.686 1.00 0.00 C ATOM 1140 CG LEU B 26 -0.314 -1.817 -5.283 1.00 0.00 C ATOM 1141 CD1 LEU B 26 -1.620 -1.420 -4.621 1.00 0.00 C ATOM 1142 CD2 LEU B 26 0.382 -2.865 -4.452 1.00 0.00 C ATOM 0 H LEU B 26 0.655 -0.841 -8.250 1.00 0.00 H new ATOM 0 HA LEU B 26 1.432 -3.184 -6.767 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.078 -1.582 -7.262 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.231 -3.206 -6.620 1.00 0.00 H new ATOM 0 HG LEU B 26 0.319 -0.933 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.420 -1.042 -3.618 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.106 -0.643 -5.211 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.275 -2.289 -4.557 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.555 -2.477 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.242 -3.757 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.337 -3.119 -4.912 1.00 0.00 H new ATOM 1154 N MET B 27 1.097 -4.889 -8.536 1.00 0.00 N ATOM 1155 CA MET B 27 0.805 -5.983 -9.443 1.00 0.00 C ATOM 1156 C MET B 27 0.075 -7.070 -8.671 1.00 0.00 C ATOM 1157 O MET B 27 0.109 -7.076 -7.442 1.00 0.00 O ATOM 1158 CB MET B 27 2.086 -6.544 -10.066 1.00 0.00 C ATOM 1159 CG MET B 27 3.017 -5.479 -10.618 1.00 0.00 C ATOM 1160 SD MET B 27 4.680 -6.105 -10.924 1.00 0.00 S ATOM 1161 CE MET B 27 5.481 -4.615 -11.509 1.00 0.00 C ATOM 0 H MET B 27 1.942 -5.013 -7.979 1.00 0.00 H new ATOM 0 HA MET B 27 0.180 -5.616 -10.257 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.620 -7.126 -9.314 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.818 -7.230 -10.869 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.604 -5.086 -11.547 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.069 -4.647 -9.915 1.00 0.00 H new ATOM 0 HE1 MET B 27 6.542 -4.651 -11.262 1.00 0.00 H new ATOM 0 HE2 MET B 27 5.362 -4.539 -12.590 1.00 0.00 H new ATOM 0 HE3 MET B 27 5.027 -3.747 -11.032 1.00 0.00 H new ATOM 1171 N ALA B 28 -0.589 -7.972 -9.375 1.00 0.00 N ATOM 1172 CA ALA B 28 -1.324 -9.046 -8.717 1.00 0.00 C ATOM 1173 C ALA B 28 -0.379 -9.975 -7.947 1.00 0.00 C ATOM 1174 O ALA B 28 -0.626 -10.309 -6.791 1.00 0.00 O ATOM 1175 CB ALA B 28 -2.140 -9.830 -9.734 1.00 0.00 C ATOM 0 H ALA B 28 -0.636 -7.985 -10.394 1.00 0.00 H new ATOM 0 HA ALA B 28 -2.007 -8.596 -7.996 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -2.683 -10.628 -9.228 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.849 -9.163 -10.224 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -1.473 -10.262 -10.480 1.00 0.00 H new ATOM 1181 N GLU B 29 0.706 -10.378 -8.600 1.00 0.00 N ATOM 1182 CA GLU B 29 1.695 -11.271 -7.997 1.00 0.00 C ATOM 1183 C GLU B 29 2.524 -10.592 -6.913 1.00 0.00 C ATOM 1184 O GLU B 29 2.756 -11.164 -5.842 1.00 0.00 O ATOM 1185 CB GLU B 29 2.667 -11.779 -9.061 1.00 0.00 C ATOM 1186 CG GLU B 29 2.261 -13.070 -9.742 1.00 0.00 C ATOM 1187 CD GLU B 29 3.332 -13.548 -10.699 1.00 0.00 C ATOM 1188 OE1 GLU B 29 4.494 -13.696 -10.261 1.00 0.00 O ATOM 1189 OE2 GLU B 29 3.030 -13.743 -11.893 1.00 0.00 O ATOM 0 H GLU B 29 0.926 -10.098 -9.556 1.00 0.00 H new ATOM 0 HA GLU B 29 1.127 -12.087 -7.549 1.00 0.00 H new ATOM 0 HB2 GLU B 29 2.784 -11.007 -9.822 1.00 0.00 H new ATOM 0 HB3 GLU B 29 3.644 -11.922 -8.599 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.074 -13.837 -8.990 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.327 -12.920 -10.284 1.00 0.00 H new ATOM 1196 N ARG B 30 2.973 -9.377 -7.182 1.00 0.00 N ATOM 1197 CA ARG B 30 3.834 -8.685 -6.241 1.00 0.00 C ATOM 1198 C ARG B 30 3.691 -7.174 -6.323 1.00 0.00 C ATOM 1199 O ARG B 30 3.162 -6.634 -7.288 1.00 0.00 O ATOM 1200 CB ARG B 30 5.288 -9.066 -6.534 1.00 0.00 C ATOM 1201 CG ARG B 30 5.786 -8.568 -7.886 1.00 0.00 C ATOM 1202 CD ARG B 30 6.851 -9.481 -8.473 1.00 0.00 C ATOM 1203 NE ARG B 30 6.277 -10.561 -9.281 1.00 0.00 N ATOM 1204 CZ ARG B 30 6.131 -10.504 -10.609 1.00 0.00 C ATOM 1205 NH1 ARG B 30 6.480 -9.408 -11.274 1.00 0.00 N ATOM 1206 NH2 ARG B 30 5.625 -11.538 -11.272 1.00 0.00 N ATOM 0 H ARG B 30 2.759 -8.856 -8.033 1.00 0.00 H new ATOM 0 HA ARG B 30 3.539 -8.987 -5.236 1.00 0.00 H new ATOM 0 HB2 ARG B 30 5.927 -8.661 -5.749 1.00 0.00 H new ATOM 0 HB3 ARG B 30 5.386 -10.151 -6.497 1.00 0.00 H new ATOM 0 HG2 ARG B 30 4.947 -8.498 -8.578 1.00 0.00 H new ATOM 0 HG3 ARG B 30 6.192 -7.562 -7.775 1.00 0.00 H new ATOM 0 HD2 ARG B 30 7.531 -8.892 -9.089 1.00 0.00 H new ATOM 0 HD3 ARG B 30 7.443 -9.911 -7.665 1.00 0.00 H new ATOM 0 HE ARG B 30 5.970 -11.407 -8.801 1.00 0.00 H new ATOM 0 HH11 ARG B 30 6.861 -8.606 -10.772 1.00 0.00 H new ATOM 0 HH12 ARG B 30 6.367 -9.368 -12.287 1.00 0.00 H new ATOM 0 HH21 ARG B 30 5.346 -12.380 -10.768 1.00 0.00 H new ATOM 0 HH22 ARG B 30 5.515 -11.490 -12.285 1.00 0.00 H new ATOM 1220 N ILE B 31 4.179 -6.506 -5.295 1.00 0.00 N ATOM 1221 CA ILE B 31 4.158 -5.058 -5.242 1.00 0.00 C ATOM 1222 C ILE B 31 5.538 -4.552 -5.643 1.00 0.00 C ATOM 1223 O ILE B 31 6.546 -4.925 -5.038 1.00 0.00 O ATOM 1224 CB ILE B 31 3.772 -4.537 -3.835 1.00 0.00 C ATOM 1225 CG1 ILE B 31 3.944 -3.019 -3.755 1.00 0.00 C ATOM 1226 CG2 ILE B 31 4.592 -5.224 -2.754 1.00 0.00 C ATOM 1227 CD1 ILE B 31 3.529 -2.429 -2.424 1.00 0.00 C ATOM 0 H ILE B 31 4.599 -6.949 -4.478 1.00 0.00 H new ATOM 0 HA ILE B 31 3.399 -4.684 -5.930 1.00 0.00 H new ATOM 0 HB ILE B 31 2.722 -4.775 -3.666 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.988 -2.770 -3.943 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.358 -2.554 -4.547 1.00 0.00 H new ATOM 0 HG21 ILE B 31 4.301 -4.839 -1.777 1.00 0.00 H new ATOM 0 HG22 ILE B 31 4.413 -6.299 -2.789 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.651 -5.027 -2.920 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.679 -1.350 -2.442 1.00 0.00 H new ATOM 0 HD12 ILE B 31 2.476 -2.646 -2.242 1.00 0.00 H new ATOM 0 HD13 ILE B 31 4.132 -2.866 -1.628 1.00 0.00 H new ATOM 1239 N ALA B 32 5.599 -3.744 -6.683 1.00 0.00 N ATOM 1240 CA ALA B 32 6.874 -3.240 -7.149 1.00 0.00 C ATOM 1241 C ALA B 32 6.906 -1.724 -7.174 1.00 0.00 C ATOM 1242 O ALA B 32 5.893 -1.068 -7.396 1.00 0.00 O ATOM 1243 CB ALA B 32 7.191 -3.803 -8.520 1.00 0.00 C ATOM 0 H ALA B 32 4.790 -3.426 -7.216 1.00 0.00 H new ATOM 0 HA ALA B 32 7.638 -3.569 -6.445 1.00 0.00 H new ATOM 0 HB1 ALA B 32 8.152 -3.416 -8.859 1.00 0.00 H new ATOM 0 HB2 ALA B 32 7.237 -4.891 -8.465 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.413 -3.508 -9.224 1.00 0.00 H new ATOM 1249 N TRP B 33 8.082 -1.181 -6.946 1.00 0.00 N ATOM 1250 CA TRP B 33 8.284 0.250 -6.935 1.00 0.00 C ATOM 1251 C TRP B 33 9.523 0.583 -7.754 1.00 0.00 C ATOM 1252 O TRP B 33 10.552 -0.092 -7.648 1.00 0.00 O ATOM 1253 CB TRP B 33 8.421 0.737 -5.485 1.00 0.00 C ATOM 1254 CG TRP B 33 8.744 2.195 -5.338 1.00 0.00 C ATOM 1255 CD1 TRP B 33 7.863 3.224 -5.156 1.00 0.00 C ATOM 1256 CD2 TRP B 33 10.047 2.780 -5.341 1.00 0.00 C ATOM 1257 NE1 TRP B 33 8.544 4.411 -5.049 1.00 0.00 N ATOM 1258 CE2 TRP B 33 9.886 4.163 -5.161 1.00 0.00 C ATOM 1259 CE3 TRP B 33 11.333 2.262 -5.482 1.00 0.00 C ATOM 1260 CZ2 TRP B 33 10.969 5.034 -5.117 1.00 0.00 C ATOM 1261 CZ3 TRP B 33 12.406 3.127 -5.441 1.00 0.00 C ATOM 1262 CH2 TRP B 33 12.219 4.500 -5.259 1.00 0.00 C ATOM 0 H TRP B 33 8.927 -1.722 -6.763 1.00 0.00 H new ATOM 0 HA TRP B 33 7.429 0.759 -7.381 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.489 0.531 -4.958 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.201 0.155 -4.993 1.00 0.00 H new ATOM 0 HD1 TRP B 33 6.789 3.119 -5.104 1.00 0.00 H new ATOM 0 HE1 TRP B 33 8.120 5.328 -4.909 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.486 1.202 -5.621 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 10.827 6.095 -4.976 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.407 2.737 -5.551 1.00 0.00 H new ATOM 0 HH2 TRP B 33 13.079 5.152 -5.230 1.00 0.00 H new ATOM 1273 N ALA B 34 9.412 1.601 -8.586 1.00 0.00 N ATOM 1274 CA ALA B 34 10.516 2.027 -9.430 1.00 0.00 C ATOM 1275 C ALA B 34 10.574 3.540 -9.477 1.00 0.00 C ATOM 1276 O ALA B 34 9.540 4.190 -9.588 1.00 0.00 O ATOM 1277 CB ALA B 34 10.369 1.463 -10.833 1.00 0.00 C ATOM 0 H ALA B 34 8.562 2.153 -8.697 1.00 0.00 H new ATOM 0 HA ALA B 34 11.445 1.647 -9.005 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.206 1.794 -11.448 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.360 0.374 -10.788 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.435 1.816 -11.271 1.00 0.00 H new ATOM 1283 N PRO B 35 11.778 4.116 -9.384 1.00 0.00 N ATOM 1284 CA PRO B 35 11.966 5.571 -9.409 1.00 0.00 C ATOM 1285 C PRO B 35 11.344 6.223 -10.647 1.00 0.00 C ATOM 1286 O PRO B 35 11.379 5.660 -11.743 1.00 0.00 O ATOM 1287 CB PRO B 35 13.486 5.733 -9.404 1.00 0.00 C ATOM 1288 CG PRO B 35 14.004 4.473 -8.809 1.00 0.00 C ATOM 1289 CD PRO B 35 13.055 3.397 -9.247 1.00 0.00 C ATOM 0 HA PRO B 35 11.475 6.061 -8.568 1.00 0.00 H new ATOM 0 HB2 PRO B 35 13.871 5.881 -10.413 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.789 6.600 -8.817 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.017 4.265 -9.153 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.044 4.541 -7.722 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.366 2.944 -10.188 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.989 2.594 -8.513 1.00 0.00 H new ATOM 1411 N ILE B 43 12.511 -1.992 -6.235 1.00 0.00 N ATOM 1412 CA ILE B 43 11.747 -2.647 -5.185 1.00 0.00 C ATOM 1413 C ILE B 43 10.690 -3.587 -5.765 1.00 0.00 C ATOM 1414 O ILE B 43 9.883 -3.188 -6.602 1.00 0.00 O ATOM 1415 CB ILE B 43 11.077 -1.590 -4.271 1.00 0.00 C ATOM 1416 CG1 ILE B 43 12.101 -1.026 -3.282 1.00 0.00 C ATOM 1417 CG2 ILE B 43 9.881 -2.171 -3.531 1.00 0.00 C ATOM 1418 CD1 ILE B 43 11.572 0.112 -2.438 1.00 0.00 C ATOM 0 HA ILE B 43 12.439 -3.246 -4.593 1.00 0.00 H new ATOM 0 HB ILE B 43 10.710 -0.781 -4.902 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.437 -1.828 -2.625 1.00 0.00 H new ATOM 0 HG13 ILE B 43 12.974 -0.680 -3.835 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.435 -1.402 -2.899 1.00 0.00 H new ATOM 0 HG22 ILE B 43 9.142 -2.521 -4.252 1.00 0.00 H new ATOM 0 HG23 ILE B 43 10.207 -3.006 -2.911 1.00 0.00 H new ATOM 0 HD11 ILE B 43 12.354 0.458 -1.763 1.00 0.00 H new ATOM 0 HD12 ILE B 43 11.263 0.932 -3.086 1.00 0.00 H new ATOM 0 HD13 ILE B 43 10.717 -0.233 -1.856 1.00 0.00 H new ATOM 1430 N SER B 44 10.733 -4.847 -5.347 1.00 0.00 N ATOM 1431 CA SER B 44 9.775 -5.845 -5.788 1.00 0.00 C ATOM 1432 C SER B 44 9.540 -6.858 -4.665 1.00 0.00 C ATOM 1433 O SER B 44 10.430 -7.641 -4.334 1.00 0.00 O ATOM 1434 CB SER B 44 10.296 -6.548 -7.039 1.00 0.00 C ATOM 1435 OG SER B 44 9.235 -7.112 -7.792 1.00 0.00 O ATOM 0 H SER B 44 11.432 -5.201 -4.695 1.00 0.00 H new ATOM 0 HA SER B 44 8.830 -5.360 -6.031 1.00 0.00 H new ATOM 0 HB2 SER B 44 10.845 -5.837 -7.656 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.998 -7.331 -6.753 1.00 0.00 H new ATOM 0 HG SER B 44 9.598 -7.554 -8.588 1.00 0.00 H new ATOM 1441 N HIS B 45 8.356 -6.828 -4.066 1.00 0.00 N ATOM 1442 CA HIS B 45 8.031 -7.739 -2.969 1.00 0.00 C ATOM 1443 C HIS B 45 6.834 -8.603 -3.318 1.00 0.00 C ATOM 1444 O HIS B 45 5.748 -8.095 -3.590 1.00 0.00 O ATOM 1445 CB HIS B 45 7.735 -6.962 -1.680 1.00 0.00 C ATOM 1446 CG HIS B 45 8.838 -6.046 -1.251 1.00 0.00 C ATOM 1447 ND1 HIS B 45 9.774 -6.360 -0.291 1.00 0.00 N ATOM 1448 CD2 HIS B 45 9.141 -4.797 -1.674 1.00 0.00 C ATOM 1449 CE1 HIS B 45 10.598 -5.313 -0.165 1.00 0.00 C ATOM 1450 NE2 HIS B 45 10.257 -4.337 -0.985 1.00 0.00 N ATOM 0 H HIS B 45 7.605 -6.186 -4.318 1.00 0.00 H new ATOM 0 HA HIS B 45 8.899 -8.379 -2.809 1.00 0.00 H new ATOM 0 HB2 HIS B 45 6.826 -6.377 -1.822 1.00 0.00 H new ATOM 0 HB3 HIS B 45 7.535 -7.673 -0.878 1.00 0.00 H new ATOM 0 HD2 HIS B 45 8.601 -4.244 -2.428 1.00 0.00 H new ATOM 0 HE1 HIS B 45 11.433 -5.272 0.519 1.00 0.00 H new ATOM 0 HE2 HIS B 45 10.717 -3.433 -1.091 1.00 0.00 H new ATOM 1458 N MET B 46 7.042 -9.909 -3.322 1.00 0.00 N ATOM 1459 CA MET B 46 5.969 -10.845 -3.614 1.00 0.00 C ATOM 1460 C MET B 46 4.975 -10.832 -2.467 1.00 0.00 C ATOM 1461 O MET B 46 5.376 -10.844 -1.303 1.00 0.00 O ATOM 1462 CB MET B 46 6.519 -12.262 -3.812 1.00 0.00 C ATOM 1463 CG MET B 46 7.264 -12.459 -5.122 1.00 0.00 C ATOM 1464 SD MET B 46 6.181 -12.372 -6.562 1.00 0.00 S ATOM 1465 CE MET B 46 5.223 -13.872 -6.366 1.00 0.00 C ATOM 0 H MET B 46 7.943 -10.345 -3.127 1.00 0.00 H new ATOM 0 HA MET B 46 5.476 -10.542 -4.537 1.00 0.00 H new ATOM 0 HB2 MET B 46 7.189 -12.499 -2.986 1.00 0.00 H new ATOM 0 HB3 MET B 46 5.693 -12.971 -3.766 1.00 0.00 H new ATOM 0 HG2 MET B 46 8.041 -11.699 -5.211 1.00 0.00 H new ATOM 0 HG3 MET B 46 7.765 -13.427 -5.108 1.00 0.00 H new ATOM 0 HE1 MET B 46 4.748 -14.127 -7.313 1.00 0.00 H new ATOM 0 HE2 MET B 46 5.880 -14.686 -6.059 1.00 0.00 H new ATOM 0 HE3 MET B 46 4.457 -13.718 -5.606 1.00 0.00 H new ATOM 1475 N TYR B 47 3.686 -10.796 -2.790 1.00 0.00 N ATOM 1476 CA TYR B 47 2.642 -10.780 -1.766 1.00 0.00 C ATOM 1477 C TYR B 47 2.805 -11.971 -0.827 1.00 0.00 C ATOM 1478 O TYR B 47 2.491 -11.890 0.355 1.00 0.00 O ATOM 1479 CB TYR B 47 1.248 -10.813 -2.402 1.00 0.00 C ATOM 1480 CG TYR B 47 0.817 -9.520 -3.070 1.00 0.00 C ATOM 1481 CD1 TYR B 47 1.708 -8.471 -3.271 1.00 0.00 C ATOM 1482 CD2 TYR B 47 -0.491 -9.358 -3.510 1.00 0.00 C ATOM 1483 CE1 TYR B 47 1.305 -7.305 -3.892 1.00 0.00 C ATOM 1484 CE2 TYR B 47 -0.897 -8.193 -4.129 1.00 0.00 C ATOM 1485 CZ TYR B 47 0.003 -7.172 -4.319 1.00 0.00 C ATOM 1486 OH TYR B 47 -0.399 -6.016 -4.944 1.00 0.00 O ATOM 0 H TYR B 47 3.338 -10.777 -3.749 1.00 0.00 H new ATOM 0 HA TYR B 47 2.743 -9.855 -1.198 1.00 0.00 H new ATOM 0 HB2 TYR B 47 1.222 -11.613 -3.142 1.00 0.00 H new ATOM 0 HB3 TYR B 47 0.520 -11.067 -1.632 1.00 0.00 H new ATOM 0 HD1 TYR B 47 2.730 -8.570 -2.937 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.202 -10.158 -3.365 1.00 0.00 H new ATOM 0 HE1 TYR B 47 2.009 -6.500 -4.042 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.918 -8.084 -4.463 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.329 -6.128 -5.915 1.00 0.00 H new ATOM 1496 N ALA B 48 3.327 -13.064 -1.377 1.00 0.00 N ATOM 1497 CA ALA B 48 3.559 -14.300 -0.636 1.00 0.00 C ATOM 1498 C ALA B 48 4.467 -14.130 0.589 1.00 0.00 C ATOM 1499 O ALA B 48 4.485 -15.004 1.456 1.00 0.00 O ATOM 1500 CB ALA B 48 4.147 -15.350 -1.569 1.00 0.00 C ATOM 0 H ALA B 48 3.603 -13.117 -2.358 1.00 0.00 H new ATOM 0 HA ALA B 48 2.589 -14.618 -0.255 1.00 0.00 H new ATOM 0 HB1 ALA B 48 4.320 -16.273 -1.015 1.00 0.00 H new ATOM 0 HB2 ALA B 48 3.451 -15.542 -2.386 1.00 0.00 H new ATOM 0 HB3 ALA B 48 5.092 -14.988 -1.975 1.00 0.00 H new ATOM 1506 N ASP B 49 5.215 -13.028 0.669 1.00 0.00 N ATOM 1507 CA ASP B 49 6.111 -12.802 1.796 1.00 0.00 C ATOM 1508 C ASP B 49 5.692 -11.608 2.643 1.00 0.00 C ATOM 1509 O ASP B 49 6.239 -11.382 3.725 1.00 0.00 O ATOM 1510 CB ASP B 49 7.532 -12.620 1.309 1.00 0.00 C ATOM 1511 CG ASP B 49 8.278 -13.933 1.247 1.00 0.00 C ATOM 1512 OD1 ASP B 49 7.994 -14.740 0.335 1.00 0.00 O ATOM 1513 OD2 ASP B 49 9.105 -14.194 2.142 1.00 0.00 O ATOM 0 H ASP B 49 5.216 -12.285 -0.030 1.00 0.00 H new ATOM 0 HA ASP B 49 6.053 -13.686 2.431 1.00 0.00 H new ATOM 0 HB2 ASP B 49 7.521 -12.161 0.320 1.00 0.00 H new ATOM 0 HB3 ASP B 49 8.058 -11.934 1.973 1.00 0.00 H new ATOM 1518 N ILE B 50 4.721 -10.851 2.175 1.00 0.00 N ATOM 1519 CA ILE B 50 4.246 -9.715 2.938 1.00 0.00 C ATOM 1520 C ILE B 50 3.126 -10.181 3.846 1.00 0.00 C ATOM 1521 O ILE B 50 2.058 -10.566 3.381 1.00 0.00 O ATOM 1522 CB ILE B 50 3.759 -8.563 2.045 1.00 0.00 C ATOM 1523 CG1 ILE B 50 4.622 -8.481 0.788 1.00 0.00 C ATOM 1524 CG2 ILE B 50 3.806 -7.249 2.816 1.00 0.00 C ATOM 1525 CD1 ILE B 50 4.397 -7.228 -0.017 1.00 0.00 C ATOM 0 H ILE B 50 4.250 -10.998 1.282 1.00 0.00 H new ATOM 0 HA ILE B 50 5.080 -9.323 3.520 1.00 0.00 H new ATOM 0 HB ILE B 50 2.727 -8.751 1.747 1.00 0.00 H new ATOM 0 HG12 ILE B 50 5.672 -8.535 1.074 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.418 -9.348 0.160 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.459 -6.438 2.175 1.00 0.00 H new ATOM 0 HG22 ILE B 50 3.163 -7.319 3.693 1.00 0.00 H new ATOM 0 HG23 ILE B 50 4.830 -7.049 3.132 1.00 0.00 H new ATOM 0 HD11 ILE B 50 5.043 -7.238 -0.895 1.00 0.00 H new ATOM 0 HD12 ILE B 50 3.355 -7.181 -0.334 1.00 0.00 H new ATOM 0 HD13 ILE B 50 4.629 -6.356 0.594 1.00 0.00 H new ATOM 1537 N LYS B 51 3.380 -10.165 5.140 1.00 0.00 N ATOM 1538 CA LYS B 51 2.397 -10.633 6.095 1.00 0.00 C ATOM 1539 C LYS B 51 1.339 -9.581 6.364 1.00 0.00 C ATOM 1540 O LYS B 51 0.179 -9.901 6.612 1.00 0.00 O ATOM 1541 CB LYS B 51 3.065 -11.009 7.407 1.00 0.00 C ATOM 1542 CG LYS B 51 2.231 -11.962 8.238 1.00 0.00 C ATOM 1543 CD LYS B 51 2.254 -11.586 9.702 1.00 0.00 C ATOM 1544 CE LYS B 51 1.233 -10.497 10.017 1.00 0.00 C ATOM 1545 NZ LYS B 51 -0.171 -10.945 9.781 1.00 0.00 N ATOM 0 H LYS B 51 4.253 -9.835 5.551 1.00 0.00 H new ATOM 0 HA LYS B 51 1.918 -11.510 5.660 1.00 0.00 H new ATOM 0 HB2 LYS B 51 4.032 -11.467 7.199 1.00 0.00 H new ATOM 0 HB3 LYS B 51 3.258 -10.104 7.984 1.00 0.00 H new ATOM 0 HG2 LYS B 51 1.203 -11.958 7.876 1.00 0.00 H new ATOM 0 HG3 LYS B 51 2.607 -12.978 8.116 1.00 0.00 H new ATOM 0 HD2 LYS B 51 2.046 -12.468 10.308 1.00 0.00 H new ATOM 0 HD3 LYS B 51 3.251 -11.241 9.974 1.00 0.00 H new ATOM 0 HE2 LYS B 51 1.343 -10.190 11.057 1.00 0.00 H new ATOM 0 HE3 LYS B 51 1.440 -9.621 9.402 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -0.687 -10.209 9.257 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -0.166 -11.825 9.227 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -0.640 -11.113 10.694 1.00 0.00 H new ATOM 1559 N CYS B 52 1.750 -8.328 6.311 1.00 0.00 N ATOM 1560 CA CYS B 52 0.854 -7.226 6.585 1.00 0.00 C ATOM 1561 C CYS B 52 1.468 -5.924 6.103 1.00 0.00 C ATOM 1562 O CYS B 52 2.569 -5.908 5.549 1.00 0.00 O ATOM 1563 CB CYS B 52 0.571 -7.150 8.089 1.00 0.00 C ATOM 1564 SG CYS B 52 2.050 -7.278 9.120 1.00 0.00 S ATOM 0 H CYS B 52 2.704 -8.050 6.079 1.00 0.00 H new ATOM 0 HA CYS B 52 -0.084 -7.389 6.054 1.00 0.00 H new ATOM 0 HB2 CYS B 52 0.069 -6.208 8.307 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -0.119 -7.949 8.360 1.00 0.00 H new ATOM 0 HG CYS B 52 1.736 -7.805 10.266 1.00 0.00 H new ATOM 1570 N GLN B 53 0.763 -4.839 6.330 1.00 0.00 N ATOM 1571 CA GLN B 53 1.224 -3.528 5.933 1.00 0.00 C ATOM 1572 C GLN B 53 0.677 -2.522 6.910 1.00 0.00 C ATOM 1573 O GLN B 53 -0.335 -2.768 7.525 1.00 0.00 O ATOM 1574 CB GLN B 53 0.747 -3.191 4.517 1.00 0.00 C ATOM 1575 CG GLN B 53 -0.651 -2.596 4.486 1.00 0.00 C ATOM 1576 CD GLN B 53 -1.397 -2.910 3.215 1.00 0.00 C ATOM 1577 OE1 GLN B 53 -1.368 -2.143 2.261 1.00 0.00 O ATOM 1578 NE2 GLN B 53 -2.073 -4.045 3.199 1.00 0.00 N ATOM 0 H GLN B 53 -0.145 -4.840 6.794 1.00 0.00 H new ATOM 0 HA GLN B 53 2.314 -3.507 5.934 1.00 0.00 H new ATOM 0 HB2 GLN B 53 1.445 -2.488 4.062 1.00 0.00 H new ATOM 0 HB3 GLN B 53 0.764 -4.096 3.909 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -1.219 -2.973 5.337 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -0.582 -1.514 4.603 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -2.068 -4.653 4.018 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -2.600 -4.313 2.368 1.00 0.00 H new ATOM 1587 N LYS B 54 1.341 -1.418 7.092 1.00 0.00 N ATOM 1588 CA LYS B 54 0.835 -0.407 7.990 1.00 0.00 C ATOM 1589 C LYS B 54 0.830 0.923 7.262 1.00 0.00 C ATOM 1590 O LYS B 54 1.625 1.137 6.360 1.00 0.00 O ATOM 1591 CB LYS B 54 1.643 -0.338 9.279 1.00 0.00 C ATOM 1592 CG LYS B 54 2.015 -1.682 9.883 1.00 0.00 C ATOM 1593 CD LYS B 54 2.668 -1.505 11.246 1.00 0.00 C ATOM 1594 CE LYS B 54 2.925 -2.843 11.922 1.00 0.00 C ATOM 1595 NZ LYS B 54 3.077 -2.701 13.394 1.00 0.00 N ATOM 0 H LYS B 54 2.226 -1.191 6.638 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.182 -0.664 8.286 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.558 0.221 9.085 1.00 0.00 H new ATOM 0 HB3 LYS B 54 1.073 0.228 10.016 1.00 0.00 H new ATOM 0 HG2 LYS B 54 1.123 -2.300 9.981 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.696 -2.209 9.215 1.00 0.00 H new ATOM 0 HD2 LYS B 54 3.609 -0.968 11.132 1.00 0.00 H new ATOM 0 HD3 LYS B 54 2.027 -0.893 11.881 1.00 0.00 H new ATOM 0 HE2 LYS B 54 2.101 -3.523 11.706 1.00 0.00 H new ATOM 0 HE3 LYS B 54 3.826 -3.293 11.506 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 2.912 -3.621 13.850 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 4.039 -2.373 13.614 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 2.386 -2.010 13.749 1.00 0.00 H new ATOM 1609 N ILE B 55 -0.060 1.810 7.643 1.00 0.00 N ATOM 1610 CA ILE B 55 -0.191 3.091 6.962 1.00 0.00 C ATOM 1611 C ILE B 55 -0.044 4.269 7.928 1.00 0.00 C ATOM 1612 O ILE B 55 -0.689 4.303 8.955 1.00 0.00 O ATOM 1613 CB ILE B 55 -1.566 3.124 6.280 1.00 0.00 C ATOM 1614 CG1 ILE B 55 -2.659 2.981 7.337 1.00 0.00 C ATOM 1615 CG2 ILE B 55 -1.658 1.990 5.274 1.00 0.00 C ATOM 1616 CD1 ILE B 55 -3.867 2.201 6.894 1.00 0.00 C ATOM 0 H ILE B 55 -0.707 1.674 8.420 1.00 0.00 H new ATOM 0 HA ILE B 55 0.607 3.190 6.226 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.697 4.072 5.759 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.234 2.497 8.216 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.979 3.976 7.645 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.634 2.012 4.789 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.877 2.106 4.523 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.530 1.037 5.787 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.588 2.152 7.710 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -4.323 2.694 6.035 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.566 1.191 6.615 1.00 0.00 H new ATOM 1628 N SER B 56 0.799 5.238 7.604 1.00 0.00 N ATOM 1629 CA SER B 56 0.995 6.370 8.496 1.00 0.00 C ATOM 1630 C SER B 56 -0.146 7.355 8.328 1.00 0.00 C ATOM 1631 O SER B 56 -0.278 7.994 7.268 1.00 0.00 O ATOM 1632 CB SER B 56 2.357 7.045 8.272 1.00 0.00 C ATOM 1633 OG SER B 56 2.340 7.923 7.165 1.00 0.00 O ATOM 0 H SER B 56 1.349 5.264 6.746 1.00 0.00 H new ATOM 0 HA SER B 56 0.996 6.004 9.523 1.00 0.00 H new ATOM 0 HB2 SER B 56 2.639 7.598 9.168 1.00 0.00 H new ATOM 0 HB3 SER B 56 3.118 6.281 8.116 1.00 0.00 H new ATOM 0 HG SER B 56 1.471 8.374 7.118 1.00 0.00 H new ATOM 1639 N PRO B 57 -0.975 7.465 9.388 1.00 0.00 N ATOM 1640 CA PRO B 57 -2.159 8.333 9.434 1.00 0.00 C ATOM 1641 C PRO B 57 -1.827 9.816 9.405 1.00 0.00 C ATOM 1642 O PRO B 57 -0.668 10.216 9.576 1.00 0.00 O ATOM 1643 CB PRO B 57 -2.807 7.983 10.780 1.00 0.00 C ATOM 1644 CG PRO B 57 -1.687 7.462 11.607 1.00 0.00 C ATOM 1645 CD PRO B 57 -0.810 6.720 10.652 1.00 0.00 C ATOM 0 HA PRO B 57 -2.793 8.168 8.563 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -3.266 8.859 11.239 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -3.593 7.237 10.660 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -1.144 8.274 12.092 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -2.052 6.806 12.397 1.00 0.00 H new ATOM 0 HD2 PRO B 57 0.229 6.714 10.982 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -1.118 5.680 10.549 1.00 0.00 H new ATOM 1653 N GLU B 58 -2.868 10.615 9.190 1.00 0.00 N ATOM 1654 CA GLU B 58 -2.753 12.064 9.151 1.00 0.00 C ATOM 1655 C GLU B 58 -2.198 12.600 10.464 1.00 0.00 C ATOM 1656 O GLU B 58 -2.315 11.959 11.512 1.00 0.00 O ATOM 1657 CB GLU B 58 -4.114 12.699 8.868 1.00 0.00 C ATOM 1658 CG GLU B 58 -4.313 13.088 7.413 1.00 0.00 C ATOM 1659 CD GLU B 58 -3.288 14.097 6.929 1.00 0.00 C ATOM 1660 OE1 GLU B 58 -2.490 14.587 7.762 1.00 0.00 O ATOM 1661 OE2 GLU B 58 -3.280 14.393 5.719 1.00 0.00 O ATOM 0 H GLU B 58 -3.816 10.272 9.038 1.00 0.00 H new ATOM 0 HA GLU B 58 -2.063 12.325 8.349 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -4.899 12.001 9.159 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -4.229 13.586 9.491 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -4.258 12.194 6.792 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -5.313 13.503 7.286 1.00 0.00 H new ATOM 1668 N GLY B 59 -1.601 13.775 10.400 1.00 0.00 N ATOM 1669 CA GLY B 59 -1.016 14.376 11.579 1.00 0.00 C ATOM 1670 C GLY B 59 0.485 14.474 11.448 1.00 0.00 C ATOM 1671 O GLY B 59 1.144 15.204 12.189 1.00 0.00 O ATOM 0 H GLY B 59 -1.510 14.328 9.548 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -1.437 15.370 11.732 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -1.270 13.783 12.458 1.00 0.00 H new ATOM 1675 N LYS B 60 1.023 13.720 10.503 1.00 0.00 N ATOM 1676 CA LYS B 60 2.449 13.724 10.238 1.00 0.00 C ATOM 1677 C LYS B 60 2.744 14.709 9.120 1.00 0.00 C ATOM 1678 O LYS B 60 1.869 15.463 8.703 1.00 0.00 O ATOM 1679 CB LYS B 60 2.931 12.327 9.834 1.00 0.00 C ATOM 1680 CG LYS B 60 2.800 11.280 10.928 1.00 0.00 C ATOM 1681 CD LYS B 60 3.342 9.934 10.472 1.00 0.00 C ATOM 1682 CE LYS B 60 2.965 8.821 11.434 1.00 0.00 C ATOM 1683 NZ LYS B 60 1.502 8.797 11.694 1.00 0.00 N ATOM 0 H LYS B 60 0.487 13.093 9.903 1.00 0.00 H new ATOM 0 HA LYS B 60 2.976 14.020 11.145 1.00 0.00 H new ATOM 0 HB2 LYS B 60 2.365 11.998 8.963 1.00 0.00 H new ATOM 0 HB3 LYS B 60 3.976 12.390 9.530 1.00 0.00 H new ATOM 0 HG2 LYS B 60 3.339 11.610 11.816 1.00 0.00 H new ATOM 0 HG3 LYS B 60 1.753 11.176 11.211 1.00 0.00 H new ATOM 0 HD2 LYS B 60 2.955 9.703 9.479 1.00 0.00 H new ATOM 0 HD3 LYS B 60 4.427 9.989 10.386 1.00 0.00 H new ATOM 0 HE2 LYS B 60 3.278 7.862 11.022 1.00 0.00 H new ATOM 0 HE3 LYS B 60 3.500 8.954 12.374 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 1.175 7.811 11.745 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 1.302 9.276 12.595 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 1.004 9.287 10.924 1.00 0.00 H new ATOM 1697 N ALA B 61 3.968 14.699 8.631 1.00 0.00 N ATOM 1698 CA ALA B 61 4.348 15.588 7.549 1.00 0.00 C ATOM 1699 C ALA B 61 4.079 14.931 6.205 1.00 0.00 C ATOM 1700 O ALA B 61 4.258 15.545 5.155 1.00 0.00 O ATOM 1701 CB ALA B 61 5.811 15.987 7.671 1.00 0.00 C ATOM 0 H ALA B 61 4.714 14.088 8.963 1.00 0.00 H new ATOM 0 HA ALA B 61 3.744 16.493 7.616 1.00 0.00 H new ATOM 0 HB1 ALA B 61 6.076 16.654 6.850 1.00 0.00 H new ATOM 0 HB2 ALA B 61 5.971 16.499 8.620 1.00 0.00 H new ATOM 0 HB3 ALA B 61 6.436 15.095 7.630 1.00 0.00 H new ATOM 1707 N LYS B 62 3.655 13.673 6.247 1.00 0.00 N ATOM 1708 CA LYS B 62 3.377 12.925 5.035 1.00 0.00 C ATOM 1709 C LYS B 62 2.554 11.674 5.323 1.00 0.00 C ATOM 1710 O LYS B 62 2.659 11.076 6.396 1.00 0.00 O ATOM 1711 CB LYS B 62 4.693 12.530 4.361 1.00 0.00 C ATOM 1712 CG LYS B 62 5.700 11.908 5.317 1.00 0.00 C ATOM 1713 CD LYS B 62 7.106 12.413 5.049 1.00 0.00 C ATOM 1714 CE LYS B 62 7.908 12.521 6.332 1.00 0.00 C ATOM 1715 NZ LYS B 62 9.301 12.966 6.078 1.00 0.00 N ATOM 0 H LYS B 62 3.497 13.153 7.110 1.00 0.00 H new ATOM 0 HA LYS B 62 2.795 13.565 4.372 1.00 0.00 H new ATOM 0 HB2 LYS B 62 4.483 11.825 3.557 1.00 0.00 H new ATOM 0 HB3 LYS B 62 5.137 13.413 3.902 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.419 12.139 6.344 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.677 10.823 5.217 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.611 11.738 4.358 1.00 0.00 H new ATOM 0 HD3 LYS B 62 7.058 13.388 4.565 1.00 0.00 H new ATOM 0 HE2 LYS B 62 7.420 13.224 7.007 1.00 0.00 H new ATOM 0 HE3 LYS B 62 7.922 11.554 6.834 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 9.816 13.027 6.980 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 9.775 12.282 5.454 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 9.289 13.901 5.622 1.00 0.00 H new ATOM 1729 N ILE B 63 1.724 11.307 4.358 1.00 0.00 N ATOM 1730 CA ILE B 63 0.891 10.118 4.445 1.00 0.00 C ATOM 1731 C ILE B 63 1.671 8.976 3.809 1.00 0.00 C ATOM 1732 O ILE B 63 2.113 9.096 2.665 1.00 0.00 O ATOM 1733 CB ILE B 63 -0.462 10.332 3.725 1.00 0.00 C ATOM 1734 CG1 ILE B 63 -1.311 11.369 4.471 1.00 0.00 C ATOM 1735 CG2 ILE B 63 -1.219 9.023 3.599 1.00 0.00 C ATOM 1736 CD1 ILE B 63 -0.901 12.807 4.216 1.00 0.00 C ATOM 0 H ILE B 63 1.609 11.828 3.489 1.00 0.00 H new ATOM 0 HA ILE B 63 0.658 9.891 5.485 1.00 0.00 H new ATOM 0 HB ILE B 63 -0.256 10.707 2.722 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -2.354 11.244 4.182 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -1.251 11.170 5.541 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -2.167 9.198 3.090 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.624 8.313 3.025 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -1.410 8.616 4.592 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -1.551 13.476 4.780 1.00 0.00 H new ATOM 0 HD12 ILE B 63 0.132 12.952 4.532 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -0.989 13.027 3.152 1.00 0.00 H new ATOM 1748 N GLN B 64 1.857 7.870 4.522 1.00 0.00 N ATOM 1749 CA GLN B 64 2.698 6.793 3.985 1.00 0.00 C ATOM 1750 C GLN B 64 2.177 5.384 4.256 1.00 0.00 C ATOM 1751 O GLN B 64 1.210 5.184 4.985 1.00 0.00 O ATOM 1752 CB GLN B 64 4.104 6.905 4.567 1.00 0.00 C ATOM 1753 CG GLN B 64 4.658 8.315 4.621 1.00 0.00 C ATOM 1754 CD GLN B 64 5.866 8.406 5.517 1.00 0.00 C ATOM 1755 OE1 GLN B 64 6.996 8.269 5.064 1.00 0.00 O ATOM 1756 NE2 GLN B 64 5.633 8.620 6.800 1.00 0.00 N ATOM 0 H GLN B 64 1.455 7.693 5.442 1.00 0.00 H new ATOM 0 HA GLN B 64 2.689 6.929 2.904 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.098 6.493 5.576 1.00 0.00 H new ATOM 0 HB3 GLN B 64 4.778 6.287 3.974 1.00 0.00 H new ATOM 0 HG2 GLN B 64 4.926 8.639 3.615 1.00 0.00 H new ATOM 0 HG3 GLN B 64 3.886 8.996 4.981 1.00 0.00 H new ATOM 0 HE21 GLN B 64 4.675 8.728 7.133 1.00 0.00 H new ATOM 0 HE22 GLN B 64 6.411 8.677 7.457 1.00 0.00 H new ATOM 1765 N LEU B 65 2.845 4.419 3.621 1.00 0.00 N ATOM 1766 CA LEU B 65 2.544 2.999 3.750 1.00 0.00 C ATOM 1767 C LEU B 65 3.821 2.190 4.043 1.00 0.00 C ATOM 1768 O LEU B 65 4.757 2.216 3.251 1.00 0.00 O ATOM 1769 CB LEU B 65 1.956 2.512 2.435 1.00 0.00 C ATOM 1770 CG LEU B 65 1.609 1.028 2.390 1.00 0.00 C ATOM 1771 CD1 LEU B 65 0.178 0.790 2.829 1.00 0.00 C ATOM 1772 CD2 LEU B 65 1.847 0.473 0.999 1.00 0.00 C ATOM 0 H LEU B 65 3.625 4.610 2.992 1.00 0.00 H new ATOM 0 HA LEU B 65 1.843 2.860 4.573 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.054 3.086 2.224 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.666 2.727 1.636 1.00 0.00 H new ATOM 0 HG LEU B 65 2.262 0.503 3.087 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.043 -0.277 2.787 1.00 0.00 H new ATOM 0 HD12 LEU B 65 0.046 1.148 3.850 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.500 1.327 2.166 1.00 0.00 H new ATOM 0 HD21 LEU B 65 1.595 -0.587 0.982 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.222 1.006 0.283 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.896 0.601 0.731 1.00 0.00 H new ATOM 1784 N GLN B 66 3.881 1.500 5.182 1.00 0.00 N ATOM 1785 CA GLN B 66 5.040 0.670 5.496 1.00 0.00 C ATOM 1786 C GLN B 66 4.670 -0.802 5.303 1.00 0.00 C ATOM 1787 O GLN B 66 3.615 -1.248 5.750 1.00 0.00 O ATOM 1788 CB GLN B 66 5.565 0.918 6.921 1.00 0.00 C ATOM 1789 CG GLN B 66 4.836 0.158 8.019 1.00 0.00 C ATOM 1790 CD GLN B 66 5.736 -0.192 9.193 1.00 0.00 C ATOM 1791 OE1 GLN B 66 5.484 -1.158 9.912 1.00 0.00 O ATOM 1792 NE2 GLN B 66 6.789 0.583 9.392 1.00 0.00 N ATOM 0 H GLN B 66 3.150 1.499 5.893 1.00 0.00 H new ATOM 0 HA GLN B 66 5.848 0.940 4.816 1.00 0.00 H new ATOM 0 HB2 GLN B 66 6.621 0.650 6.954 1.00 0.00 H new ATOM 0 HB3 GLN B 66 5.500 1.985 7.135 1.00 0.00 H new ATOM 0 HG2 GLN B 66 3.999 0.758 8.376 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.417 -0.758 7.603 1.00 0.00 H new ATOM 0 HE21 GLN B 66 6.964 1.375 8.773 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.427 0.389 10.164 1.00 0.00 H new ATOM 1801 N LEU B 67 5.510 -1.544 4.606 1.00 0.00 N ATOM 1802 CA LEU B 67 5.257 -2.958 4.367 1.00 0.00 C ATOM 1803 C LEU B 67 5.928 -3.799 5.438 1.00 0.00 C ATOM 1804 O LEU B 67 7.081 -3.566 5.774 1.00 0.00 O ATOM 1805 CB LEU B 67 5.781 -3.381 2.990 1.00 0.00 C ATOM 1806 CG LEU B 67 5.091 -2.731 1.789 1.00 0.00 C ATOM 1807 CD1 LEU B 67 5.710 -3.230 0.494 1.00 0.00 C ATOM 1808 CD2 LEU B 67 3.598 -3.014 1.810 1.00 0.00 C ATOM 0 H LEU B 67 6.375 -1.194 4.194 1.00 0.00 H new ATOM 0 HA LEU B 67 4.179 -3.117 4.399 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.846 -3.153 2.941 1.00 0.00 H new ATOM 0 HB3 LEU B 67 5.682 -4.463 2.901 1.00 0.00 H new ATOM 0 HG LEU B 67 5.234 -1.652 1.850 1.00 0.00 H new ATOM 0 HD11 LEU B 67 5.210 -2.760 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.770 -2.977 0.476 1.00 0.00 H new ATOM 0 HD13 LEU B 67 5.594 -4.312 0.429 1.00 0.00 H new ATOM 0 HD21 LEU B 67 3.126 -2.543 0.948 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.431 -4.090 1.772 1.00 0.00 H new ATOM 0 HD23 LEU B 67 3.164 -2.612 2.726 1.00 0.00 H new ATOM 1820 N VAL B 68 5.201 -4.760 5.984 1.00 0.00 N ATOM 1821 CA VAL B 68 5.743 -5.641 7.007 1.00 0.00 C ATOM 1822 C VAL B 68 5.763 -7.071 6.490 1.00 0.00 C ATOM 1823 O VAL B 68 4.725 -7.740 6.416 1.00 0.00 O ATOM 1824 CB VAL B 68 4.922 -5.582 8.315 1.00 0.00 C ATOM 1825 CG1 VAL B 68 5.446 -6.586 9.335 1.00 0.00 C ATOM 1826 CG2 VAL B 68 4.932 -4.176 8.893 1.00 0.00 C ATOM 0 H VAL B 68 4.230 -4.951 5.735 1.00 0.00 H new ATOM 0 HA VAL B 68 6.755 -5.304 7.231 1.00 0.00 H new ATOM 0 HB VAL B 68 3.892 -5.848 8.078 1.00 0.00 H new ATOM 0 HG11 VAL B 68 4.851 -6.524 10.246 1.00 0.00 H new ATOM 0 HG12 VAL B 68 5.376 -7.593 8.924 1.00 0.00 H new ATOM 0 HG13 VAL B 68 6.487 -6.360 9.566 1.00 0.00 H new ATOM 0 HG21 VAL B 68 4.348 -4.157 9.813 1.00 0.00 H new ATOM 0 HG22 VAL B 68 5.958 -3.878 9.108 1.00 0.00 H new ATOM 0 HG23 VAL B 68 4.497 -3.483 8.173 1.00 0.00 H new ATOM 1836 N LEU B 69 6.937 -7.533 6.114 1.00 0.00 N ATOM 1837 CA LEU B 69 7.079 -8.877 5.593 1.00 0.00 C ATOM 1838 C LEU B 69 7.225 -9.854 6.749 1.00 0.00 C ATOM 1839 O LEU B 69 7.832 -9.522 7.766 1.00 0.00 O ATOM 1840 CB LEU B 69 8.276 -8.981 4.648 1.00 0.00 C ATOM 1841 CG LEU B 69 8.391 -7.860 3.611 1.00 0.00 C ATOM 1842 CD1 LEU B 69 9.228 -8.299 2.431 1.00 0.00 C ATOM 1843 CD2 LEU B 69 7.035 -7.406 3.119 1.00 0.00 C ATOM 0 H LEU B 69 7.805 -6.999 6.159 1.00 0.00 H new ATOM 0 HA LEU B 69 6.186 -9.125 5.019 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.188 -8.997 5.244 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.222 -9.935 4.123 1.00 0.00 H new ATOM 0 HG LEU B 69 8.877 -7.021 4.109 1.00 0.00 H new ATOM 0 HD11 LEU B 69 9.294 -7.485 1.709 1.00 0.00 H new ATOM 0 HD12 LEU B 69 10.229 -8.563 2.773 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.765 -9.166 1.959 1.00 0.00 H new ATOM 0 HD21 LEU B 69 7.162 -6.610 2.385 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.516 -8.246 2.657 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.449 -7.034 3.959 1.00 0.00 H new ATOM 1855 N HIS B 70 6.689 -11.058 6.597 1.00 0.00 N ATOM 1856 CA HIS B 70 6.773 -12.056 7.665 1.00 0.00 C ATOM 1857 C HIS B 70 8.164 -12.680 7.713 1.00 0.00 C ATOM 1858 O HIS B 70 8.409 -13.629 8.453 1.00 0.00 O ATOM 1859 CB HIS B 70 5.689 -13.136 7.526 1.00 0.00 C ATOM 1860 CG HIS B 70 5.458 -13.618 6.128 1.00 0.00 C ATOM 1861 ND1 HIS B 70 4.258 -13.514 5.463 1.00 0.00 N ATOM 1862 CD2 HIS B 70 6.301 -14.232 5.272 1.00 0.00 C ATOM 1863 CE1 HIS B 70 4.416 -14.061 4.255 1.00 0.00 C ATOM 1864 NE2 HIS B 70 5.636 -14.521 4.098 1.00 0.00 N ATOM 0 H HIS B 70 6.197 -11.368 5.759 1.00 0.00 H new ATOM 0 HA HIS B 70 6.595 -11.541 8.609 1.00 0.00 H new ATOM 0 HB2 HIS B 70 5.963 -13.988 8.148 1.00 0.00 H new ATOM 0 HB3 HIS B 70 4.752 -12.743 7.919 1.00 0.00 H new ATOM 0 HD1 HIS B 70 3.402 -13.095 5.827 1.00 0.00 H new ATOM 0 HD2 HIS B 70 7.337 -14.462 5.474 1.00 0.00 H new ATOM 0 HE1 HIS B 70 3.641 -14.118 3.505 1.00 0.00 H new ATOM 1872 N ALA B 71 9.064 -12.137 6.905 1.00 0.00 N ATOM 1873 CA ALA B 71 10.441 -12.594 6.864 1.00 0.00 C ATOM 1874 C ALA B 71 11.290 -11.727 7.786 1.00 0.00 C ATOM 1875 O ALA B 71 12.468 -11.996 8.006 1.00 0.00 O ATOM 1876 CB ALA B 71 10.976 -12.540 5.441 1.00 0.00 C ATOM 0 H ALA B 71 8.859 -11.371 6.263 1.00 0.00 H new ATOM 0 HA ALA B 71 10.486 -13.629 7.204 1.00 0.00 H new ATOM 0 HB1 ALA B 71 12.010 -12.886 5.428 1.00 0.00 H new ATOM 0 HB2 ALA B 71 10.371 -13.181 4.800 1.00 0.00 H new ATOM 0 HB3 ALA B 71 10.932 -11.514 5.074 1.00 0.00 H new ATOM 1882 N GLY B 72 10.665 -10.683 8.328 1.00 0.00 N ATOM 1883 CA GLY B 72 11.358 -9.776 9.218 1.00 0.00 C ATOM 1884 C GLY B 72 11.891 -8.558 8.494 1.00 0.00 C ATOM 1885 O GLY B 72 12.962 -8.061 8.820 1.00 0.00 O ATOM 0 H GLY B 72 9.685 -10.452 8.163 1.00 0.00 H new ATOM 0 HA2 GLY B 72 10.680 -9.458 10.010 1.00 0.00 H new ATOM 0 HA3 GLY B 72 12.184 -10.301 9.698 1.00 0.00 H new ATOM 1889 N ASP B 73 11.139 -8.083 7.506 1.00 0.00 N ATOM 1890 CA ASP B 73 11.545 -6.915 6.729 1.00 0.00 C ATOM 1891 C ASP B 73 10.421 -5.879 6.672 1.00 0.00 C ATOM 1892 O ASP B 73 9.241 -6.233 6.733 1.00 0.00 O ATOM 1893 CB ASP B 73 11.945 -7.332 5.312 1.00 0.00 C ATOM 1894 CG ASP B 73 12.315 -6.145 4.447 1.00 0.00 C ATOM 1895 OD1 ASP B 73 13.026 -5.243 4.944 1.00 0.00 O ATOM 1896 OD2 ASP B 73 11.889 -6.104 3.274 1.00 0.00 O ATOM 0 H ASP B 73 10.246 -8.488 7.224 1.00 0.00 H new ATOM 0 HA ASP B 73 12.405 -6.463 7.223 1.00 0.00 H new ATOM 0 HB2 ASP B 73 12.789 -8.019 5.363 1.00 0.00 H new ATOM 0 HB3 ASP B 73 11.120 -7.874 4.849 1.00 0.00 H new ATOM 1901 N THR B 74 10.792 -4.607 6.558 1.00 0.00 N ATOM 1902 CA THR B 74 9.828 -3.518 6.488 1.00 0.00 C ATOM 1903 C THR B 74 10.212 -2.519 5.387 1.00 0.00 C ATOM 1904 O THR B 74 11.375 -2.139 5.257 1.00 0.00 O ATOM 1905 CB THR B 74 9.719 -2.770 7.834 1.00 0.00 C ATOM 1906 OG1 THR B 74 11.021 -2.371 8.288 1.00 0.00 O ATOM 1907 CG2 THR B 74 9.051 -3.635 8.894 1.00 0.00 C ATOM 0 H THR B 74 11.765 -4.305 6.512 1.00 0.00 H new ATOM 0 HA THR B 74 8.861 -3.963 6.255 1.00 0.00 H new ATOM 0 HB THR B 74 9.103 -1.885 7.673 1.00 0.00 H new ATOM 0 HG1 THR B 74 10.939 -1.896 9.141 1.00 0.00 H new ATOM 0 HG21 THR B 74 8.989 -3.080 9.830 1.00 0.00 H new ATOM 0 HG22 THR B 74 8.047 -3.904 8.565 1.00 0.00 H new ATOM 0 HG23 THR B 74 9.638 -4.541 9.047 1.00 0.00 H new ATOM 1915 N THR B 75 9.234 -2.104 4.587 1.00 0.00 N ATOM 1916 CA THR B 75 9.484 -1.153 3.506 1.00 0.00 C ATOM 1917 C THR B 75 8.631 0.114 3.662 1.00 0.00 C ATOM 1918 O THR B 75 7.407 0.045 3.654 1.00 0.00 O ATOM 1919 CB THR B 75 9.181 -1.801 2.142 1.00 0.00 C ATOM 1920 OG1 THR B 75 9.422 -3.213 2.208 1.00 0.00 O ATOM 1921 CG2 THR B 75 10.036 -1.187 1.045 1.00 0.00 C ATOM 0 H THR B 75 8.264 -2.409 4.665 1.00 0.00 H new ATOM 0 HA THR B 75 10.536 -0.872 3.556 1.00 0.00 H new ATOM 0 HB THR B 75 8.133 -1.620 1.904 1.00 0.00 H new ATOM 0 HG1 THR B 75 9.078 -3.642 1.397 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.802 -1.662 0.092 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.830 -0.119 0.978 1.00 0.00 H new ATOM 0 HG23 THR B 75 11.090 -1.339 1.277 1.00 0.00 H new ATOM 1929 N ASN B 76 9.281 1.270 3.802 1.00 0.00 N ATOM 1930 CA ASN B 76 8.567 2.546 3.958 1.00 0.00 C ATOM 1931 C ASN B 76 8.247 3.166 2.600 1.00 0.00 C ATOM 1932 O ASN B 76 9.139 3.337 1.769 1.00 0.00 O ATOM 1933 CB ASN B 76 9.403 3.554 4.749 1.00 0.00 C ATOM 1934 CG ASN B 76 9.917 2.999 6.051 1.00 0.00 C ATOM 1935 OD1 ASN B 76 11.055 2.542 6.131 1.00 0.00 O ATOM 1936 ND2 ASN B 76 9.083 3.039 7.074 1.00 0.00 N ATOM 0 H ASN B 76 10.298 1.353 3.811 1.00 0.00 H new ATOM 0 HA ASN B 76 7.644 2.325 4.495 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.247 3.876 4.139 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.800 4.439 4.951 1.00 0.00 H new ATOM 0 HD21 ASN B 76 9.374 2.680 7.983 1.00 0.00 H new ATOM 0 HD22 ASN B 76 8.148 3.429 6.955 1.00 0.00 H new ATOM 1943 N PHE B 77 6.984 3.501 2.381 1.00 0.00 N ATOM 1944 CA PHE B 77 6.556 4.133 1.137 1.00 0.00 C ATOM 1945 C PHE B 77 5.828 5.440 1.436 1.00 0.00 C ATOM 1946 O PHE B 77 4.673 5.434 1.859 1.00 0.00 O ATOM 1947 CB PHE B 77 5.646 3.202 0.330 1.00 0.00 C ATOM 1948 CG PHE B 77 6.392 2.168 -0.460 1.00 0.00 C ATOM 1949 CD1 PHE B 77 7.515 2.517 -1.194 1.00 0.00 C ATOM 1950 CD2 PHE B 77 5.971 0.848 -0.472 1.00 0.00 C ATOM 1951 CE1 PHE B 77 8.203 1.569 -1.924 1.00 0.00 C ATOM 1952 CE2 PHE B 77 6.657 -0.104 -1.202 1.00 0.00 C ATOM 1953 CZ PHE B 77 7.773 0.257 -1.929 1.00 0.00 C ATOM 0 H PHE B 77 6.232 3.345 3.052 1.00 0.00 H new ATOM 0 HA PHE B 77 7.444 4.343 0.542 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.958 2.700 1.011 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.041 3.800 -0.351 1.00 0.00 H new ATOM 0 HD1 PHE B 77 7.855 3.542 -1.195 1.00 0.00 H new ATOM 0 HD2 PHE B 77 5.098 0.560 0.095 1.00 0.00 H new ATOM 0 HE1 PHE B 77 9.077 1.853 -2.491 1.00 0.00 H new ATOM 0 HE2 PHE B 77 6.320 -1.130 -1.204 1.00 0.00 H new ATOM 0 HZ PHE B 77 8.309 -0.486 -2.501 1.00 0.00 H new ATOM 1963 N HIS B 78 6.513 6.549 1.217 1.00 0.00 N ATOM 1964 CA HIS B 78 5.961 7.872 1.467 1.00 0.00 C ATOM 1965 C HIS B 78 5.215 8.375 0.233 1.00 0.00 C ATOM 1966 O HIS B 78 5.798 8.532 -0.838 1.00 0.00 O ATOM 1967 CB HIS B 78 7.123 8.803 1.875 1.00 0.00 C ATOM 1968 CG HIS B 78 6.915 10.288 1.708 1.00 0.00 C ATOM 1969 ND1 HIS B 78 5.791 11.023 1.506 1.00 0.00 N flip ATOM 1970 CD2 HIS B 78 7.955 11.192 1.729 1.00 0.00 C flip ATOM 1971 CE1 HIS B 78 6.137 12.368 1.398 1.00 0.00 C flip ATOM 1972 NE2 HIS B 78 7.446 12.414 1.538 1.00 0.00 N flip ATOM 0 H HIS B 78 7.469 6.559 0.861 1.00 0.00 H new ATOM 0 HA HIS B 78 5.232 7.846 2.277 1.00 0.00 H new ATOM 0 HB2 HIS B 78 7.356 8.611 2.922 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.001 8.519 1.296 1.00 0.00 H new ATOM 0 HD2 HIS B 78 8.999 10.955 1.874 1.00 0.00 H new ATOM 0 HE1 HIS B 78 5.470 13.201 1.233 1.00 0.00 H new ATOM 0 HE2 HIS B 78 7.999 13.270 1.505 1.00 0.00 H new ATOM 1980 N PHE B 79 3.920 8.615 0.388 1.00 0.00 N ATOM 1981 CA PHE B 79 3.102 9.108 -0.710 1.00 0.00 C ATOM 1982 C PHE B 79 3.236 10.620 -0.816 1.00 0.00 C ATOM 1983 O PHE B 79 2.562 11.367 -0.107 1.00 0.00 O ATOM 1984 CB PHE B 79 1.630 8.730 -0.511 1.00 0.00 C ATOM 1985 CG PHE B 79 1.372 7.251 -0.556 1.00 0.00 C ATOM 1986 CD1 PHE B 79 1.427 6.560 -1.756 1.00 0.00 C ATOM 1987 CD2 PHE B 79 1.065 6.553 0.600 1.00 0.00 C ATOM 1988 CE1 PHE B 79 1.185 5.200 -1.799 1.00 0.00 C ATOM 1989 CE2 PHE B 79 0.821 5.195 0.562 1.00 0.00 C ATOM 1990 CZ PHE B 79 0.880 4.517 -0.638 1.00 0.00 C ATOM 0 H PHE B 79 3.414 8.476 1.263 1.00 0.00 H new ATOM 0 HA PHE B 79 3.453 8.646 -1.632 1.00 0.00 H new ATOM 0 HB2 PHE B 79 1.291 9.119 0.449 1.00 0.00 H new ATOM 0 HB3 PHE B 79 1.032 9.217 -1.281 1.00 0.00 H new ATOM 0 HD1 PHE B 79 1.661 7.090 -2.667 1.00 0.00 H new ATOM 0 HD2 PHE B 79 1.016 7.078 1.543 1.00 0.00 H new ATOM 0 HE1 PHE B 79 1.234 4.672 -2.740 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.584 4.663 1.472 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.688 3.455 -0.669 1.00 0.00 H new ATOM 2000 N SER B 80 4.119 11.063 -1.697 1.00 0.00 N ATOM 2001 CA SER B 80 4.352 12.486 -1.895 1.00 0.00 C ATOM 2002 C SER B 80 3.400 13.049 -2.948 1.00 0.00 C ATOM 2003 O SER B 80 3.589 14.158 -3.445 1.00 0.00 O ATOM 2004 CB SER B 80 5.806 12.731 -2.304 1.00 0.00 C ATOM 2005 OG SER B 80 6.250 11.754 -3.233 1.00 0.00 O ATOM 0 H SER B 80 4.688 10.456 -2.288 1.00 0.00 H new ATOM 0 HA SER B 80 4.161 13.001 -0.954 1.00 0.00 H new ATOM 0 HB2 SER B 80 5.900 13.724 -2.744 1.00 0.00 H new ATOM 0 HB3 SER B 80 6.443 12.712 -1.420 1.00 0.00 H new ATOM 0 HG SER B 80 5.476 11.347 -3.675 1.00 0.00 H new ATOM 2011 N ASN B 81 2.384 12.270 -3.292 1.00 0.00 N ATOM 2012 CA ASN B 81 1.398 12.699 -4.269 1.00 0.00 C ATOM 2013 C ASN B 81 0.376 13.581 -3.576 1.00 0.00 C ATOM 2014 O ASN B 81 -0.598 13.096 -3.006 1.00 0.00 O ATOM 2015 CB ASN B 81 0.712 11.497 -4.923 1.00 0.00 C ATOM 2016 CG ASN B 81 0.134 11.838 -6.284 1.00 0.00 C ATOM 2017 OD1 ASN B 81 0.708 12.629 -7.035 1.00 0.00 O ATOM 2018 ND2 ASN B 81 -1.000 11.247 -6.611 1.00 0.00 N ATOM 0 H ASN B 81 2.223 11.339 -2.908 1.00 0.00 H new ATOM 0 HA ASN B 81 1.897 13.261 -5.059 1.00 0.00 H new ATOM 0 HB2 ASN B 81 1.430 10.684 -5.028 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -0.084 11.137 -4.272 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -1.433 11.439 -7.514 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -1.443 10.598 -5.960 1.00 0.00 H new ATOM 2025 N GLU B 82 0.612 14.881 -3.629 1.00 0.00 N ATOM 2026 CA GLU B 82 -0.243 15.872 -2.981 1.00 0.00 C ATOM 2027 C GLU B 82 -1.700 15.819 -3.457 1.00 0.00 C ATOM 2028 O GLU B 82 -2.580 16.398 -2.825 1.00 0.00 O ATOM 2029 CB GLU B 82 0.331 17.280 -3.204 1.00 0.00 C ATOM 2030 CG GLU B 82 0.122 17.838 -4.613 1.00 0.00 C ATOM 2031 CD GLU B 82 0.640 16.921 -5.706 1.00 0.00 C ATOM 2032 OE1 GLU B 82 1.819 16.509 -5.644 1.00 0.00 O ATOM 2033 OE2 GLU B 82 -0.135 16.580 -6.622 1.00 0.00 O ATOM 0 H GLU B 82 1.406 15.285 -4.125 1.00 0.00 H new ATOM 0 HA GLU B 82 -0.254 15.632 -1.918 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.125 17.962 -2.486 1.00 0.00 H new ATOM 0 HB3 GLU B 82 1.400 17.260 -2.990 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.942 18.016 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.622 18.804 -4.692 1.00 0.00 H new ATOM 2040 N SER B 83 -1.953 15.120 -4.556 1.00 0.00 N ATOM 2041 CA SER B 83 -3.297 15.031 -5.099 1.00 0.00 C ATOM 2042 C SER B 83 -4.223 14.180 -4.218 1.00 0.00 C ATOM 2043 O SER B 83 -5.224 14.677 -3.704 1.00 0.00 O ATOM 2044 CB SER B 83 -3.231 14.452 -6.512 1.00 0.00 C ATOM 2045 OG SER B 83 -1.933 14.618 -7.070 1.00 0.00 O ATOM 0 H SER B 83 -1.246 14.609 -5.085 1.00 0.00 H new ATOM 0 HA SER B 83 -3.718 16.036 -5.126 1.00 0.00 H new ATOM 0 HB2 SER B 83 -3.488 13.393 -6.487 1.00 0.00 H new ATOM 0 HB3 SER B 83 -3.969 14.944 -7.146 1.00 0.00 H new ATOM 0 HG SER B 83 -1.621 15.533 -6.907 1.00 0.00 H new ATOM 2051 N THR B 84 -3.891 12.905 -4.039 1.00 0.00 N ATOM 2052 CA THR B 84 -4.723 12.014 -3.235 1.00 0.00 C ATOM 2053 C THR B 84 -3.903 11.157 -2.272 1.00 0.00 C ATOM 2054 O THR B 84 -4.331 10.063 -1.931 1.00 0.00 O ATOM 2055 CB THR B 84 -5.558 11.094 -4.147 1.00 0.00 C ATOM 2056 OG1 THR B 84 -4.856 10.854 -5.373 1.00 0.00 O ATOM 2057 CG2 THR B 84 -6.915 11.711 -4.446 1.00 0.00 C ATOM 0 H THR B 84 -3.059 12.468 -4.436 1.00 0.00 H new ATOM 0 HA THR B 84 -5.379 12.650 -2.640 1.00 0.00 H new ATOM 0 HB THR B 84 -5.715 10.149 -3.626 1.00 0.00 H new ATOM 0 HG1 THR B 84 -4.053 10.322 -5.192 1.00 0.00 H new ATOM 0 HG21 THR B 84 -7.485 11.042 -5.091 1.00 0.00 H new ATOM 0 HG22 THR B 84 -7.458 11.865 -3.514 1.00 0.00 H new ATOM 0 HG23 THR B 84 -6.777 12.669 -4.948 1.00 0.00 H new ATOM 2065 N ALA B 85 -2.754 11.667 -1.821 1.00 0.00 N ATOM 2066 CA ALA B 85 -1.853 10.936 -0.907 1.00 0.00 C ATOM 2067 C ALA B 85 -2.595 10.104 0.142 1.00 0.00 C ATOM 2068 O ALA B 85 -2.363 8.900 0.273 1.00 0.00 O ATOM 2069 CB ALA B 85 -0.912 11.909 -0.211 1.00 0.00 C ATOM 0 H ALA B 85 -2.417 12.596 -2.075 1.00 0.00 H new ATOM 0 HA ALA B 85 -1.290 10.238 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -0.252 11.360 0.460 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -0.315 12.434 -0.957 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -1.494 12.631 0.362 1.00 0.00 H new ATOM 2075 N VAL B 86 -3.491 10.749 0.877 1.00 0.00 N ATOM 2076 CA VAL B 86 -4.260 10.081 1.923 1.00 0.00 C ATOM 2077 C VAL B 86 -5.119 8.949 1.360 1.00 0.00 C ATOM 2078 O VAL B 86 -5.131 7.831 1.886 1.00 0.00 O ATOM 2079 CB VAL B 86 -5.184 11.076 2.655 1.00 0.00 C ATOM 2080 CG1 VAL B 86 -5.685 10.482 3.961 1.00 0.00 C ATOM 2081 CG2 VAL B 86 -4.475 12.400 2.899 1.00 0.00 C ATOM 0 H VAL B 86 -3.705 11.740 0.768 1.00 0.00 H new ATOM 0 HA VAL B 86 -3.534 9.666 2.622 1.00 0.00 H new ATOM 0 HB VAL B 86 -6.046 11.270 2.016 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -6.335 11.200 4.462 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -6.244 9.569 3.755 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.836 10.251 4.605 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -5.148 13.083 3.416 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -3.589 12.231 3.511 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -4.179 12.835 1.945 1.00 0.00 H new ATOM 2091 N LYS B 87 -5.817 9.240 0.274 1.00 0.00 N ATOM 2092 CA LYS B 87 -6.708 8.269 -0.341 1.00 0.00 C ATOM 2093 C LYS B 87 -5.938 7.179 -1.076 1.00 0.00 C ATOM 2094 O LYS B 87 -6.397 6.040 -1.151 1.00 0.00 O ATOM 2095 CB LYS B 87 -7.695 8.972 -1.271 1.00 0.00 C ATOM 2096 CG LYS B 87 -8.559 10.007 -0.554 1.00 0.00 C ATOM 2097 CD LYS B 87 -8.999 9.526 0.827 1.00 0.00 C ATOM 2098 CE LYS B 87 -9.818 8.248 0.744 1.00 0.00 C ATOM 2099 NZ LYS B 87 -10.026 7.627 2.084 1.00 0.00 N ATOM 0 H LYS B 87 -5.784 10.142 -0.201 1.00 0.00 H new ATOM 0 HA LYS B 87 -7.269 7.778 0.454 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -7.143 9.461 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -8.341 8.227 -1.736 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.001 10.938 -0.453 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -9.439 10.227 -1.159 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -8.121 9.355 1.450 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -9.588 10.304 1.313 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -10.786 8.467 0.292 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -9.314 7.537 0.090 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -10.907 7.074 2.077 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -9.225 7.001 2.305 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -10.091 8.373 2.806 1.00 0.00 H new ATOM 2113 N GLU B 88 -4.779 7.528 -1.614 1.00 0.00 N ATOM 2114 CA GLU B 88 -3.942 6.558 -2.298 1.00 0.00 C ATOM 2115 C GLU B 88 -3.488 5.524 -1.284 1.00 0.00 C ATOM 2116 O GLU B 88 -3.486 4.326 -1.562 1.00 0.00 O ATOM 2117 CB GLU B 88 -2.751 7.244 -2.973 1.00 0.00 C ATOM 2118 CG GLU B 88 -3.071 7.735 -4.378 1.00 0.00 C ATOM 2119 CD GLU B 88 -2.138 8.830 -4.857 1.00 0.00 C ATOM 2120 OE1 GLU B 88 -1.081 8.511 -5.431 1.00 0.00 O ATOM 2121 OE2 GLU B 88 -2.474 10.020 -4.677 1.00 0.00 O ATOM 0 H GLU B 88 -4.399 8.474 -1.590 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.509 6.066 -3.088 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.430 8.088 -2.363 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -1.914 6.547 -3.019 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.019 6.894 -5.070 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -4.096 8.104 -4.402 1.00 0.00 H new ATOM 2128 N ARG B 89 -3.145 6.000 -0.086 1.00 0.00 N ATOM 2129 CA ARG B 89 -2.741 5.123 1.004 1.00 0.00 C ATOM 2130 C ARG B 89 -3.869 4.143 1.301 1.00 0.00 C ATOM 2131 O ARG B 89 -3.635 2.964 1.543 1.00 0.00 O ATOM 2132 CB ARG B 89 -2.410 5.949 2.260 1.00 0.00 C ATOM 2133 CG ARG B 89 -2.668 5.224 3.581 1.00 0.00 C ATOM 2134 CD ARG B 89 -2.589 6.180 4.767 1.00 0.00 C ATOM 2135 NE ARG B 89 -3.582 5.881 5.811 1.00 0.00 N ATOM 2136 CZ ARG B 89 -4.905 5.972 5.649 1.00 0.00 C ATOM 2137 NH1 ARG B 89 -5.416 6.416 4.504 1.00 0.00 N ATOM 2138 NH2 ARG B 89 -5.719 5.653 6.649 1.00 0.00 N ATOM 0 H ARG B 89 -3.140 6.992 0.150 1.00 0.00 H new ATOM 0 HA ARG B 89 -1.847 4.571 0.712 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -1.361 6.243 2.220 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -2.999 6.866 2.242 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -3.652 4.756 3.554 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -1.938 4.424 3.707 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -1.589 6.133 5.199 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -2.736 7.201 4.415 1.00 0.00 H new ATOM 0 HE ARG B 89 -3.236 5.583 6.723 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -4.797 6.690 3.741 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -6.427 6.482 4.389 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -5.334 5.339 7.540 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -6.729 5.722 6.526 1.00 0.00 H new ATOM 2152 N ASP B 90 -5.097 4.649 1.249 1.00 0.00 N ATOM 2153 CA ASP B 90 -6.280 3.836 1.509 1.00 0.00 C ATOM 2154 C ASP B 90 -6.510 2.781 0.437 1.00 0.00 C ATOM 2155 O ASP B 90 -6.774 1.626 0.759 1.00 0.00 O ATOM 2156 CB ASP B 90 -7.533 4.706 1.614 1.00 0.00 C ATOM 2157 CG ASP B 90 -7.811 5.158 3.026 1.00 0.00 C ATOM 2158 OD1 ASP B 90 -7.845 4.297 3.927 1.00 0.00 O ATOM 2159 OD2 ASP B 90 -8.006 6.378 3.234 1.00 0.00 O ATOM 0 H ASP B 90 -5.299 5.624 1.028 1.00 0.00 H new ATOM 0 HA ASP B 90 -6.094 3.332 2.457 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -7.418 5.580 0.973 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -8.391 4.147 1.240 1.00 0.00 H new ATOM 2164 N ALA B 91 -6.362 3.160 -0.827 1.00 0.00 N ATOM 2165 CA ALA B 91 -6.620 2.243 -1.925 1.00 0.00 C ATOM 2166 C ALA B 91 -5.539 1.195 -2.000 1.00 0.00 C ATOM 2167 O ALA B 91 -5.815 0.016 -2.220 1.00 0.00 O ATOM 2168 CB ALA B 91 -6.734 2.992 -3.240 1.00 0.00 C ATOM 0 H ALA B 91 -6.066 4.093 -1.114 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.571 1.745 -1.738 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.927 2.284 -4.046 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.554 3.708 -3.181 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.803 3.523 -3.438 1.00 0.00 H new ATOM 2174 N VAL B 92 -4.308 1.637 -1.814 1.00 0.00 N ATOM 2175 CA VAL B 92 -3.173 0.743 -1.827 1.00 0.00 C ATOM 2176 C VAL B 92 -3.313 -0.252 -0.684 1.00 0.00 C ATOM 2177 O VAL B 92 -3.134 -1.454 -0.862 1.00 0.00 O ATOM 2178 CB VAL B 92 -1.856 1.529 -1.689 1.00 0.00 C ATOM 2179 CG1 VAL B 92 -0.696 0.599 -1.419 1.00 0.00 C ATOM 2180 CG2 VAL B 92 -1.593 2.351 -2.938 1.00 0.00 C ATOM 0 H VAL B 92 -4.072 2.616 -1.652 1.00 0.00 H new ATOM 0 HA VAL B 92 -3.148 0.211 -2.778 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.955 2.205 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.222 1.180 -1.326 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.875 0.053 -0.493 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.596 -0.107 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -0.658 2.900 -2.822 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -1.521 1.689 -3.801 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -2.411 3.056 -3.089 1.00 0.00 H new ATOM 2190 N LYS B 93 -3.674 0.279 0.479 1.00 0.00 N ATOM 2191 CA LYS B 93 -3.877 -0.516 1.682 1.00 0.00 C ATOM 2192 C LYS B 93 -4.904 -1.608 1.443 1.00 0.00 C ATOM 2193 O LYS B 93 -4.640 -2.794 1.650 1.00 0.00 O ATOM 2194 CB LYS B 93 -4.369 0.394 2.806 1.00 0.00 C ATOM 2195 CG LYS B 93 -4.681 -0.330 4.099 1.00 0.00 C ATOM 2196 CD LYS B 93 -6.177 -0.540 4.298 1.00 0.00 C ATOM 2197 CE LYS B 93 -6.872 0.730 4.761 1.00 0.00 C ATOM 2198 NZ LYS B 93 -7.610 1.399 3.654 1.00 0.00 N ATOM 0 H LYS B 93 -3.834 1.277 0.613 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.930 -0.981 1.955 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.612 1.153 3.001 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -5.265 0.916 2.470 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -4.177 -1.297 4.102 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.282 0.240 4.938 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -6.624 -0.878 3.363 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -6.338 -1.330 5.032 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.566 0.490 5.566 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.133 1.418 5.172 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -7.896 2.353 3.954 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -6.994 1.469 2.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.456 0.843 3.415 1.00 0.00 H new ATOM 2212 N ASP B 94 -6.078 -1.175 1.014 1.00 0.00 N ATOM 2213 CA ASP B 94 -7.200 -2.067 0.745 1.00 0.00 C ATOM 2214 C ASP B 94 -6.814 -3.144 -0.253 1.00 0.00 C ATOM 2215 O ASP B 94 -6.932 -4.332 0.035 1.00 0.00 O ATOM 2216 CB ASP B 94 -8.390 -1.271 0.196 1.00 0.00 C ATOM 2217 CG ASP B 94 -8.996 -0.312 1.205 1.00 0.00 C ATOM 2218 OD1 ASP B 94 -8.872 -0.549 2.421 1.00 0.00 O ATOM 2219 OD2 ASP B 94 -9.589 0.700 0.774 1.00 0.00 O ATOM 0 H ASP B 94 -6.283 -0.191 0.841 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.480 -2.543 1.685 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.067 -0.708 -0.680 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.159 -1.967 -0.139 1.00 0.00 H new ATOM 2224 N LEU B 95 -6.336 -2.721 -1.419 1.00 0.00 N ATOM 2225 CA LEU B 95 -5.940 -3.654 -2.465 1.00 0.00 C ATOM 2226 C LEU B 95 -4.905 -4.639 -1.942 1.00 0.00 C ATOM 2227 O LEU B 95 -5.047 -5.850 -2.111 1.00 0.00 O ATOM 2228 CB LEU B 95 -5.389 -2.903 -3.678 1.00 0.00 C ATOM 2229 CG LEU B 95 -5.432 -3.685 -4.991 1.00 0.00 C ATOM 2230 CD1 LEU B 95 -6.871 -3.934 -5.418 1.00 0.00 C ATOM 2231 CD2 LEU B 95 -4.672 -2.945 -6.078 1.00 0.00 C ATOM 0 H LEU B 95 -6.214 -1.738 -1.662 1.00 0.00 H new ATOM 0 HA LEU B 95 -6.824 -4.211 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.954 -1.979 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.356 -2.620 -3.474 1.00 0.00 H new ATOM 0 HG LEU B 95 -4.950 -4.650 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.881 -4.492 -6.354 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.385 -4.509 -4.648 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.379 -2.980 -5.558 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.714 -3.517 -7.005 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.124 -1.966 -6.235 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.632 -2.821 -5.775 1.00 0.00 H new ATOM 2243 N LEU B 96 -3.886 -4.115 -1.277 1.00 0.00 N ATOM 2244 CA LEU B 96 -2.833 -4.948 -0.729 1.00 0.00 C ATOM 2245 C LEU B 96 -3.364 -5.924 0.309 1.00 0.00 C ATOM 2246 O LEU B 96 -3.142 -7.117 0.188 1.00 0.00 O ATOM 2247 CB LEU B 96 -1.723 -4.096 -0.119 1.00 0.00 C ATOM 2248 CG LEU B 96 -0.590 -3.725 -1.076 1.00 0.00 C ATOM 2249 CD1 LEU B 96 0.325 -2.690 -0.445 1.00 0.00 C ATOM 2250 CD2 LEU B 96 0.202 -4.965 -1.458 1.00 0.00 C ATOM 0 H LEU B 96 -3.769 -3.116 -1.105 1.00 0.00 H new ATOM 0 HA LEU B 96 -2.423 -5.525 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.163 -3.178 0.271 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -1.300 -4.632 0.730 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.026 -3.295 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU B 96 1.125 -2.439 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.248 -1.792 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU B 96 0.755 -3.095 0.471 1.00 0.00 H new ATOM 0 HD21 LEU B 96 1.006 -4.688 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU B 96 0.626 -5.416 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -0.458 -5.682 -1.947 1.00 0.00 H new ATOM 2262 N GLN B 97 -4.102 -5.439 1.307 1.00 0.00 N ATOM 2263 CA GLN B 97 -4.597 -6.331 2.353 1.00 0.00 C ATOM 2264 C GLN B 97 -5.629 -7.314 1.822 1.00 0.00 C ATOM 2265 O GLN B 97 -5.840 -8.360 2.418 1.00 0.00 O ATOM 2266 CB GLN B 97 -5.115 -5.570 3.587 1.00 0.00 C ATOM 2267 CG GLN B 97 -6.507 -4.976 3.494 1.00 0.00 C ATOM 2268 CD GLN B 97 -6.992 -4.463 4.851 1.00 0.00 C ATOM 2269 OE1 GLN B 97 -6.480 -5.045 5.945 1.00 0.00 O flip ATOM 2270 NE2 GLN B 97 -7.801 -3.543 4.922 1.00 0.00 N flip ATOM 0 H GLN B 97 -4.365 -4.459 1.413 1.00 0.00 H new ATOM 0 HA GLN B 97 -3.738 -6.913 2.688 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -5.093 -6.250 4.439 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -4.416 -4.763 3.806 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.507 -4.158 2.774 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -7.200 -5.729 3.120 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -8.171 -3.122 4.070 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -8.103 -3.199 5.833 1.00 0.00 H new ATOM 2279 N GLN B 98 -6.250 -6.996 0.699 1.00 0.00 N ATOM 2280 CA GLN B 98 -7.229 -7.896 0.111 1.00 0.00 C ATOM 2281 C GLN B 98 -6.541 -9.004 -0.676 1.00 0.00 C ATOM 2282 O GLN B 98 -6.934 -10.164 -0.599 1.00 0.00 O ATOM 2283 CB GLN B 98 -8.191 -7.141 -0.807 1.00 0.00 C ATOM 2284 CG GLN B 98 -9.297 -6.422 -0.062 1.00 0.00 C ATOM 2285 CD GLN B 98 -10.451 -6.030 -0.960 1.00 0.00 C ATOM 2286 OE1 GLN B 98 -10.477 -4.936 -1.523 1.00 0.00 O ATOM 2287 NE2 GLN B 98 -11.413 -6.927 -1.108 1.00 0.00 N ATOM 0 H GLN B 98 -6.097 -6.131 0.180 1.00 0.00 H new ATOM 0 HA GLN B 98 -7.798 -8.338 0.929 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -7.627 -6.415 -1.393 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.635 -7.844 -1.512 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -9.667 -7.064 0.738 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -8.889 -5.528 0.409 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.354 -7.823 -0.624 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -12.213 -6.723 -1.706 1.00 0.00 H new ATOM 2296 N LEU B 99 -5.503 -8.647 -1.417 1.00 0.00 N ATOM 2297 CA LEU B 99 -4.786 -9.615 -2.241 1.00 0.00 C ATOM 2298 C LEU B 99 -3.702 -10.359 -1.461 1.00 0.00 C ATOM 2299 O LEU B 99 -3.418 -11.520 -1.750 1.00 0.00 O ATOM 2300 CB LEU B 99 -4.171 -8.912 -3.443 1.00 0.00 C ATOM 2301 CG LEU B 99 -5.175 -8.189 -4.331 1.00 0.00 C ATOM 2302 CD1 LEU B 99 -4.496 -7.070 -5.105 1.00 0.00 C ATOM 2303 CD2 LEU B 99 -5.851 -9.165 -5.280 1.00 0.00 C ATOM 0 H LEU B 99 -5.137 -7.696 -1.466 1.00 0.00 H new ATOM 0 HA LEU B 99 -5.510 -10.359 -2.573 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -3.433 -8.192 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -3.636 -9.647 -4.044 1.00 0.00 H new ATOM 0 HG LEU B 99 -5.941 -7.748 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.230 -6.565 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.064 -6.354 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.707 -7.487 -5.731 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.565 -8.629 -5.906 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.099 -9.639 -5.911 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.375 -9.928 -4.705 1.00 0.00 H new ATOM 2315 N LEU B 100 -3.117 -9.688 -0.474 1.00 0.00 N ATOM 2316 CA LEU B 100 -2.044 -10.257 0.350 1.00 0.00 C ATOM 2317 C LEU B 100 -2.291 -11.694 0.807 1.00 0.00 C ATOM 2318 O LEU B 100 -1.523 -12.583 0.449 1.00 0.00 O ATOM 2319 CB LEU B 100 -1.762 -9.380 1.573 1.00 0.00 C ATOM 2320 CG LEU B 100 -0.689 -8.327 1.362 1.00 0.00 C ATOM 2321 CD1 LEU B 100 -0.488 -7.496 2.621 1.00 0.00 C ATOM 2322 CD2 LEU B 100 0.595 -9.016 0.957 1.00 0.00 C ATOM 0 H LEU B 100 -3.370 -8.733 -0.219 1.00 0.00 H new ATOM 0 HA LEU B 100 -1.175 -10.282 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -2.686 -8.884 1.869 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -1.465 -10.021 2.403 1.00 0.00 H new ATOM 0 HG LEU B 100 -0.999 -7.644 0.571 1.00 0.00 H new ATOM 0 HD11 LEU B 100 0.286 -6.749 2.444 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -1.422 -6.997 2.881 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -0.184 -8.146 3.441 1.00 0.00 H new ATOM 0 HD21 LEU B 100 1.375 -8.270 0.802 1.00 0.00 H new ATOM 0 HD22 LEU B 100 0.902 -9.704 1.744 1.00 0.00 H new ATOM 0 HD23 LEU B 100 0.434 -9.570 0.032 1.00 0.00 H new ATOM 2334 N PRO B 101 -3.365 -11.964 1.568 1.00 0.00 N ATOM 2335 CA PRO B 101 -3.629 -13.306 2.093 1.00 0.00 C ATOM 2336 C PRO B 101 -3.894 -14.362 1.018 1.00 0.00 C ATOM 2337 O PRO B 101 -4.002 -15.549 1.325 1.00 0.00 O ATOM 2338 CB PRO B 101 -4.847 -13.107 2.987 1.00 0.00 C ATOM 2339 CG PRO B 101 -5.516 -11.886 2.469 1.00 0.00 C ATOM 2340 CD PRO B 101 -4.416 -11.006 1.962 1.00 0.00 C ATOM 0 HA PRO B 101 -2.757 -13.699 2.615 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -5.513 -13.969 2.943 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -4.554 -12.983 4.030 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -6.219 -12.132 1.673 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -6.085 -11.388 3.254 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -4.744 -10.399 1.118 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -4.065 -10.318 2.731 1.00 0.00 H new ATOM 2348 N LYS B 102 -4.006 -13.938 -0.233 1.00 0.00 N ATOM 2349 CA LYS B 102 -4.233 -14.871 -1.327 1.00 0.00 C ATOM 2350 C LYS B 102 -2.908 -15.453 -1.798 1.00 0.00 C ATOM 2351 O LYS B 102 -2.862 -16.531 -2.385 1.00 0.00 O ATOM 2352 CB LYS B 102 -4.937 -14.184 -2.498 1.00 0.00 C ATOM 2353 CG LYS B 102 -6.452 -14.194 -2.400 1.00 0.00 C ATOM 2354 CD LYS B 102 -6.953 -13.230 -1.339 1.00 0.00 C ATOM 2355 CE LYS B 102 -8.424 -12.909 -1.533 1.00 0.00 C ATOM 2356 NZ LYS B 102 -8.912 -11.934 -0.523 1.00 0.00 N ATOM 0 H LYS B 102 -3.944 -12.960 -0.514 1.00 0.00 H new ATOM 0 HA LYS B 102 -4.874 -15.673 -0.960 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.594 -13.151 -2.559 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.640 -14.674 -3.425 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -6.881 -13.927 -3.366 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.795 -15.202 -2.167 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -6.801 -13.663 -0.350 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -6.370 -12.310 -1.377 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -8.579 -12.505 -2.533 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.009 -13.826 -1.465 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -9.836 -11.559 -0.820 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.010 -12.408 0.398 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -8.232 -11.152 -0.439 1.00 0.00 H new ATOM 2370 N PHE B 103 -1.835 -14.724 -1.530 1.00 0.00 N ATOM 2371 CA PHE B 103 -0.503 -15.147 -1.931 1.00 0.00 C ATOM 2372 C PHE B 103 0.381 -15.402 -0.719 1.00 0.00 C ATOM 2373 O PHE B 103 1.197 -16.321 -0.721 1.00 0.00 O ATOM 2374 CB PHE B 103 0.138 -14.088 -2.832 1.00 0.00 C ATOM 2375 CG PHE B 103 -0.640 -13.817 -4.090 1.00 0.00 C ATOM 2376 CD1 PHE B 103 -0.419 -14.567 -5.233 1.00 0.00 C ATOM 2377 CD2 PHE B 103 -1.594 -12.812 -4.126 1.00 0.00 C ATOM 2378 CE1 PHE B 103 -1.136 -14.320 -6.389 1.00 0.00 C ATOM 2379 CE2 PHE B 103 -2.313 -12.561 -5.278 1.00 0.00 C ATOM 2380 CZ PHE B 103 -2.083 -13.316 -6.412 1.00 0.00 C ATOM 0 H PHE B 103 -1.862 -13.833 -1.034 1.00 0.00 H new ATOM 0 HA PHE B 103 -0.599 -16.081 -2.485 1.00 0.00 H new ATOM 0 HB2 PHE B 103 0.240 -13.159 -2.271 1.00 0.00 H new ATOM 0 HB3 PHE B 103 1.144 -14.411 -3.099 1.00 0.00 H new ATOM 0 HD1 PHE B 103 0.321 -15.353 -5.221 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -1.777 -12.218 -3.243 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -0.955 -14.912 -7.274 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -3.054 -11.776 -5.292 1.00 0.00 H new ATOM 0 HZ PHE B 103 -2.643 -13.121 -7.315 1.00 0.00 H new