USER MOD reduce.3.24.130724 H: found=0, std=0, add=1307, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 1309 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 74 SER OG : rot 74:sc= 2.23 USER MOD Set 1.2: B 78 LYS NZ :NH3+ -150:sc= 2.3 (180deg=0.857) USER MOD Set 2.1: B 56 HIS : no HD1:sc= 0 X(o=-0.61,f=-0.97) USER MOD Set 2.2: B 60 CYS SG : rot 180:sc= 0 USER MOD Set 2.3: B 97 MET CE :methyl -132:sc= -0.613 (180deg=-1.31) USER MOD Set 3.1: B 46 TYR OH : rot -103:sc= 1.23 USER MOD Set 3.2: B 72 LYS NZ :NH3+ 174:sc= 1.21 (180deg=1.11) USER MOD Set 4.1: A 74 SER OG : rot -130:sc= 1.01 USER MOD Set 4.2: A 78 LYS NZ :NH3+ -164:sc= 0.782! (180deg=-0.754!) USER MOD Set 5.1: A 56 HIS : no HD1:sc= 0.0324 K(o=-0.5,f=-1.2) USER MOD Set 5.2: A 60 CYS SG : rot -140:sc= 0 USER MOD Set 5.3: A 97 MET CE :methyl -133:sc= -0.535 (180deg=-1.05) USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= 1.24 (180deg=1.05) USER MOD Single : A 38 SER OG : rot 36:sc= -1.05! USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.419 F(o=-1.2,f=-0.42) USER MOD Single : A 46 TYR OH : rot 150:sc= 0 USER MOD Single : A 48 SER OG : rot 160:sc= -0.585 USER MOD Single : A 49 THR OG1 : rot -80:sc= 0.962 USER MOD Single : A 51 GLN : amide:sc= -0.013 K(o=-0.013,f=-1.3!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0013 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= -1.75 F(o=-2.9!,f=-1.8) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= 0.772 (180deg=-0.179) USER MOD Single : A 76 HIS : no HD1:sc= -0.323 K(o=-0.32,f=-6.4!) USER MOD Single : A 80 TYR OH : rot -130:sc= 0.106 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.122 USER MOD Single : A 89 ASN : amide:sc= 1.05 K(o=1.1,f=-0.31) USER MOD Single : A 90 SER OG : rot 180:sc= -0.222 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 170:sc= 0.951 (180deg=0.894) USER MOD Single : A 112 LYS NZ :NH3+ -131:sc= 2.07 (180deg=-0.182) USER MOD Single : B 24 GLN : amide:sc= -0.273 K(o=-0.27,f=-1.2) USER MOD Single : B 27 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 144:sc= 1.29 (180deg=1.05) USER MOD Single : B 36 LYS NZ :NH3+ -170:sc= 1.26 (180deg=0.849) USER MOD Single : B 38 SER OG : rot -23:sc= -3.79! USER MOD Single : B 40 TYR OH : rot 180:sc= 0 USER MOD Single : B 43 ASN : amide:sc= 1.03 K(o=1,f=-0.45) USER MOD Single : B 48 SER OG : rot -30:sc= -0.377 USER MOD Single : B 49 THR OG1 : rot -72:sc= 1.4 USER MOD Single : B 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 67:sc= 0.368 USER MOD Single : B 62 SER OG : rot 180:sc= -0.0325 USER MOD Single : B 64 ASN :FLIP amide:sc= -0.41 F(o=-3.6,f=-0.41) USER MOD Single : B 67 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 CYS SG : rot -110:sc= -3.17! USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 80 TYR OH : rot 180:sc= 0.0913 USER MOD Single : B 82 TYR OH : rot -75:sc= 0.533! USER MOD Single : B 89 ASN : amide:sc= -0.0753 K(o=-0.075,f=-1.2!) USER MOD Single : B 90 SER OG : rot 180:sc= -0.886 USER MOD Single : B 100 THR OG1 : rot -62:sc= 0.138 USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.2) USER MOD Single : B 112 LYS NZ :NH3+ 179:sc= 0.776 (180deg=0.775) USER MOD ----------------------------------------------------------------- ATOM 468 N GLU A 33 -15.007 10.513 7.372 1.00 50.42 N ATOM 469 CA GLU A 33 -15.922 10.329 6.232 1.00 31.32 C ATOM 470 C GLU A 33 -15.482 9.207 5.313 1.00 34.21 C ATOM 471 O GLU A 33 -16.299 8.409 4.848 1.00 51.14 O ATOM 472 CB GLU A 33 -16.059 11.607 5.399 1.00 54.21 C ATOM 473 CG GLU A 33 -16.763 12.754 6.063 1.00 31.14 C ATOM 474 CD GLU A 33 -18.129 12.420 6.584 1.00 53.20 C ATOM 475 OE1 GLU A 33 -18.250 11.605 7.511 1.00 70.35 O ATOM 476 OE2 GLU A 33 -19.102 12.979 6.079 1.00 44.24 O ATOM 0 HA GLU A 33 -16.885 10.072 6.673 1.00 31.32 H new ATOM 0 HB2 GLU A 33 -15.061 11.937 5.110 1.00 54.21 H new ATOM 0 HB3 GLU A 33 -16.592 11.362 4.480 1.00 54.21 H new ATOM 0 HG2 GLU A 33 -16.149 13.113 6.889 1.00 31.14 H new ATOM 0 HG3 GLU A 33 -16.849 13.574 5.350 1.00 31.14 H new ATOM 483 N ILE A 34 -14.205 9.142 5.084 1.00 33.34 N ATOM 484 CA ILE A 34 -13.649 8.205 4.128 1.00 23.15 C ATOM 485 C ILE A 34 -13.732 6.767 4.602 1.00 44.14 C ATOM 486 O ILE A 34 -13.971 5.859 3.805 1.00 41.42 O ATOM 487 CB ILE A 34 -12.246 8.592 3.627 1.00 23.34 C ATOM 488 CG1 ILE A 34 -11.235 8.676 4.761 1.00 63.13 C ATOM 489 CG2 ILE A 34 -12.330 9.899 2.866 1.00 50.24 C ATOM 490 CD1 ILE A 34 -9.857 9.131 4.330 1.00 2.52 C ATOM 0 H ILE A 34 -13.513 9.731 5.548 1.00 33.34 H new ATOM 0 HA ILE A 34 -14.291 8.273 3.250 1.00 23.15 H new ATOM 0 HB ILE A 34 -11.890 7.808 2.959 1.00 23.34 H new ATOM 0 HG12 ILE A 34 -11.612 9.363 5.519 1.00 63.13 H new ATOM 0 HG13 ILE A 34 -11.151 7.696 5.232 1.00 63.13 H new ATOM 0 HG21 ILE A 34 -11.338 10.177 2.509 1.00 50.24 H new ATOM 0 HG22 ILE A 34 -13.002 9.782 2.016 1.00 50.24 H new ATOM 0 HG23 ILE A 34 -12.711 10.680 3.525 1.00 50.24 H new ATOM 0 HD11 ILE A 34 -9.197 9.164 5.197 1.00 2.52 H new ATOM 0 HD12 ILE A 34 -9.456 8.432 3.595 1.00 2.52 H new ATOM 0 HD13 ILE A 34 -9.924 10.125 3.887 1.00 2.52 H new ATOM 502 N ASP A 35 -13.593 6.558 5.914 1.00 0.34 N ATOM 503 CA ASP A 35 -13.641 5.206 6.479 1.00 75.04 C ATOM 504 C ASP A 35 -15.039 4.615 6.343 1.00 24.45 C ATOM 505 O ASP A 35 -15.208 3.406 6.179 1.00 21.41 O ATOM 506 CB ASP A 35 -13.226 5.177 7.965 1.00 12.43 C ATOM 507 CG ASP A 35 -11.787 5.607 8.223 1.00 11.15 C ATOM 508 OD1 ASP A 35 -10.886 5.189 7.462 1.00 31.35 O ATOM 509 OD2 ASP A 35 -11.541 6.353 9.177 1.00 14.13 O ATOM 0 H ASP A 35 -13.448 7.299 6.599 1.00 0.34 H new ATOM 0 HA ASP A 35 -12.927 4.608 5.913 1.00 75.04 H new ATOM 0 HB2 ASP A 35 -13.894 5.828 8.529 1.00 12.43 H new ATOM 0 HB3 ASP A 35 -13.365 4.167 8.349 1.00 12.43 H new ATOM 514 N LYS A 36 -16.035 5.482 6.395 1.00 52.13 N ATOM 515 CA LYS A 36 -17.447 5.088 6.301 1.00 74.15 C ATOM 516 C LYS A 36 -17.788 4.617 4.906 1.00 23.40 C ATOM 517 O LYS A 36 -18.735 3.878 4.703 1.00 42.11 O ATOM 518 CB LYS A 36 -18.319 6.291 6.592 1.00 43.20 C ATOM 519 CG LYS A 36 -18.120 6.902 7.941 1.00 21.42 C ATOM 520 CD LYS A 36 -18.875 8.196 8.022 1.00 12.13 C ATOM 521 CE LYS A 36 -18.713 8.846 9.354 1.00 23.21 C ATOM 522 NZ LYS A 36 -19.366 10.161 9.385 1.00 20.05 N ATOM 0 H LYS A 36 -15.896 6.487 6.504 1.00 52.13 H new ATOM 0 HA LYS A 36 -17.618 4.283 7.016 1.00 74.15 H new ATOM 0 HB2 LYS A 36 -18.129 7.051 5.834 1.00 43.20 H new ATOM 0 HB3 LYS A 36 -19.364 5.996 6.493 1.00 43.20 H new ATOM 0 HG2 LYS A 36 -18.466 6.218 8.716 1.00 21.42 H new ATOM 0 HG3 LYS A 36 -17.059 7.076 8.120 1.00 21.42 H new ATOM 0 HD2 LYS A 36 -18.524 8.872 7.242 1.00 12.13 H new ATOM 0 HD3 LYS A 36 -19.933 8.013 7.833 1.00 12.13 H new ATOM 0 HE2 LYS A 36 -19.139 8.207 10.128 1.00 23.21 H new ATOM 0 HE3 LYS A 36 -17.653 8.958 9.581 1.00 23.21 H new ATOM 0 HZ1 LYS A 36 -19.007 10.708 10.193 1.00 20.05 H new ATOM 0 HZ2 LYS A 36 -19.160 10.672 8.503 1.00 20.05 H new ATOM 0 HZ3 LYS A 36 -20.394 10.036 9.481 1.00 20.05 H new ATOM 536 N ARG A 37 -17.022 5.071 3.956 1.00 73.22 N ATOM 537 CA ARG A 37 -17.285 4.812 2.564 1.00 74.22 C ATOM 538 C ARG A 37 -16.244 3.844 2.013 1.00 4.43 C ATOM 539 O ARG A 37 -16.082 3.703 0.807 1.00 32.55 O ATOM 540 CB ARG A 37 -17.257 6.160 1.831 1.00 73.33 C ATOM 541 CG ARG A 37 -18.227 7.160 2.455 1.00 11.43 C ATOM 542 CD ARG A 37 -18.170 8.554 1.851 1.00 1.15 C ATOM 543 NE ARG A 37 -19.088 9.460 2.582 1.00 14.22 N ATOM 544 CZ ARG A 37 -19.326 10.758 2.306 1.00 24.12 C ATOM 545 NH1 ARG A 37 -18.759 11.346 1.259 1.00 40.44 N ATOM 546 NH2 ARG A 37 -20.155 11.452 3.085 1.00 35.32 N ATOM 0 H ARG A 37 -16.190 5.636 4.124 1.00 73.22 H new ATOM 0 HA ARG A 37 -18.260 4.345 2.423 1.00 74.22 H new ATOM 0 HB2 ARG A 37 -16.247 6.568 1.857 1.00 73.33 H new ATOM 0 HB3 ARG A 37 -17.513 6.010 0.782 1.00 73.33 H new ATOM 0 HG2 ARG A 37 -19.242 6.775 2.353 1.00 11.43 H new ATOM 0 HG3 ARG A 37 -18.019 7.231 3.523 1.00 11.43 H new ATOM 0 HD2 ARG A 37 -17.151 8.939 1.899 1.00 1.15 H new ATOM 0 HD3 ARG A 37 -18.447 8.515 0.797 1.00 1.15 H new ATOM 0 HE ARG A 37 -19.591 9.061 3.375 1.00 14.22 H new ATOM 0 HH11 ARG A 37 -18.135 10.815 0.652 1.00 40.44 H new ATOM 0 HH12 ARG A 37 -18.948 12.329 1.062 1.00 40.44 H new ATOM 0 HH21 ARG A 37 -20.603 11.001 3.882 1.00 35.32 H new ATOM 0 HH22 ARG A 37 -20.341 12.435 2.884 1.00 35.32 H new ATOM 560 N SER A 38 -15.559 3.174 2.911 1.00 41.40 N ATOM 561 CA SER A 38 -14.516 2.258 2.548 1.00 2.24 C ATOM 562 C SER A 38 -14.931 0.785 2.764 1.00 63.12 C ATOM 563 O SER A 38 -15.831 0.472 3.554 1.00 14.23 O ATOM 564 CB SER A 38 -13.259 2.595 3.362 1.00 33.52 C ATOM 565 OG SER A 38 -12.152 1.766 3.025 1.00 33.33 O ATOM 0 H SER A 38 -15.714 3.253 3.916 1.00 41.40 H new ATOM 0 HA SER A 38 -14.312 2.368 1.483 1.00 2.24 H new ATOM 0 HB2 SER A 38 -12.991 3.638 3.195 1.00 33.52 H new ATOM 0 HB3 SER A 38 -13.479 2.488 4.424 1.00 33.52 H new ATOM 0 HG SER A 38 -12.165 1.578 2.063 1.00 33.33 H new ATOM 571 N VAL A 39 -14.223 -0.096 2.083 1.00 52.35 N ATOM 572 CA VAL A 39 -14.437 -1.531 2.117 1.00 14.31 C ATOM 573 C VAL A 39 -13.146 -2.297 2.118 1.00 21.53 C ATOM 574 O VAL A 39 -12.091 -1.777 1.762 1.00 11.21 O ATOM 575 CB VAL A 39 -15.332 -2.096 0.962 1.00 13.11 C ATOM 576 CG1 VAL A 39 -16.779 -2.061 1.328 1.00 53.52 C ATOM 577 CG2 VAL A 39 -15.133 -1.298 -0.311 1.00 11.33 C ATOM 0 H VAL A 39 -13.456 0.177 1.469 1.00 52.35 H new ATOM 0 HA VAL A 39 -14.975 -1.676 3.054 1.00 14.31 H new ATOM 0 HB VAL A 39 -15.029 -3.130 0.800 1.00 13.11 H new ATOM 0 HG11 VAL A 39 -17.372 -2.460 0.505 1.00 53.52 H new ATOM 0 HG12 VAL A 39 -16.943 -2.665 2.220 1.00 53.52 H new ATOM 0 HG13 VAL A 39 -17.079 -1.032 1.526 1.00 53.52 H new ATOM 0 HG21 VAL A 39 -15.764 -1.708 -1.100 1.00 11.33 H new ATOM 0 HG22 VAL A 39 -15.403 -0.257 -0.134 1.00 11.33 H new ATOM 0 HG23 VAL A 39 -14.088 -1.355 -0.616 1.00 11.33 H new ATOM 587 N TYR A 40 -13.276 -3.531 2.479 1.00 14.12 N ATOM 588 CA TYR A 40 -12.237 -4.518 2.511 1.00 34.11 C ATOM 589 C TYR A 40 -12.463 -5.438 1.347 1.00 31.12 C ATOM 590 O TYR A 40 -13.565 -5.931 1.165 1.00 74.31 O ATOM 591 CB TYR A 40 -12.333 -5.339 3.816 1.00 20.15 C ATOM 592 CG TYR A 40 -11.566 -6.663 3.797 1.00 54.33 C ATOM 593 CD1 TYR A 40 -10.233 -6.737 4.130 1.00 11.04 C ATOM 594 CD2 TYR A 40 -12.213 -7.845 3.440 1.00 71.24 C ATOM 595 CE1 TYR A 40 -9.561 -7.939 4.107 1.00 44.15 C ATOM 596 CE2 TYR A 40 -11.563 -9.040 3.411 1.00 70.42 C ATOM 597 CZ TYR A 40 -10.235 -9.093 3.744 1.00 30.15 C ATOM 598 OH TYR A 40 -9.574 -10.299 3.707 1.00 12.42 O ATOM 0 H TYR A 40 -14.175 -3.907 2.782 1.00 14.12 H new ATOM 0 HA TYR A 40 -11.258 -4.042 2.462 1.00 34.11 H new ATOM 0 HB2 TYR A 40 -11.960 -4.731 4.640 1.00 20.15 H new ATOM 0 HB3 TYR A 40 -13.383 -5.546 4.022 1.00 20.15 H new ATOM 0 HD1 TYR A 40 -9.705 -5.838 4.414 1.00 11.04 H new ATOM 0 HD2 TYR A 40 -13.260 -7.811 3.179 1.00 71.24 H new ATOM 0 HE1 TYR A 40 -8.515 -7.981 4.371 1.00 44.15 H new ATOM 0 HE2 TYR A 40 -12.090 -9.939 3.128 1.00 70.42 H new ATOM 0 HH TYR A 40 -10.196 -11.005 3.433 1.00 12.42 H new ATOM 608 N VAL A 41 -11.460 -5.641 0.571 1.00 12.42 N ATOM 609 CA VAL A 41 -11.489 -6.535 -0.545 1.00 5.04 C ATOM 610 C VAL A 41 -10.447 -7.608 -0.298 1.00 44.10 C ATOM 611 O VAL A 41 -9.266 -7.309 -0.207 1.00 61.12 O ATOM 612 CB VAL A 41 -11.127 -5.773 -1.832 1.00 42.50 C ATOM 613 CG1 VAL A 41 -11.140 -6.695 -3.050 1.00 20.23 C ATOM 614 CG2 VAL A 41 -12.076 -4.609 -2.035 1.00 45.53 C ATOM 0 H VAL A 41 -10.561 -5.175 0.695 1.00 12.42 H new ATOM 0 HA VAL A 41 -12.482 -6.969 -0.658 1.00 5.04 H new ATOM 0 HB VAL A 41 -10.113 -5.388 -1.721 1.00 42.50 H new ATOM 0 HG11 VAL A 41 -10.880 -6.124 -3.941 1.00 20.23 H new ATOM 0 HG12 VAL A 41 -10.415 -7.496 -2.908 1.00 20.23 H new ATOM 0 HG13 VAL A 41 -12.135 -7.124 -3.171 1.00 20.23 H new ATOM 0 HG21 VAL A 41 -11.810 -4.078 -2.949 1.00 45.53 H new ATOM 0 HG22 VAL A 41 -13.097 -4.982 -2.116 1.00 45.53 H new ATOM 0 HG23 VAL A 41 -12.005 -3.929 -1.186 1.00 45.53 H new ATOM 624 N GLY A 42 -10.870 -8.826 -0.160 1.00 74.11 N ATOM 625 CA GLY A 42 -9.943 -9.878 0.137 1.00 31.22 C ATOM 626 C GLY A 42 -9.700 -10.832 -1.008 1.00 15.24 C ATOM 627 O GLY A 42 -10.446 -10.849 -1.988 1.00 65.25 O ATOM 0 H GLY A 42 -11.844 -9.117 -0.247 1.00 74.11 H new ATOM 0 HA2 GLY A 42 -8.992 -9.436 0.434 1.00 31.22 H new ATOM 0 HA3 GLY A 42 -10.314 -10.442 0.993 1.00 31.22 H new ATOM 631 N ASN A 43 -8.663 -11.636 -0.828 1.00 32.43 N ATOM 632 CA ASN A 43 -8.200 -12.681 -1.749 1.00 40.41 C ATOM 633 C ASN A 43 -7.798 -12.176 -3.148 1.00 64.44 C ATOM 634 O ASN A 43 -8.433 -12.485 -4.162 1.00 3.01 O ATOM 635 CB ASN A 43 -9.157 -13.901 -1.768 1.00 14.54 C ATOM 636 CG ASN A 43 -8.643 -15.100 -2.567 1.00 60.43 C ATOM 637 OD1 ASN A 43 -9.120 -15.263 -3.775 1.00 24.24 O flip ATOM 638 ND2 ASN A 43 -7.862 -15.911 -2.059 1.00 64.23 N flip ATOM 0 H ASN A 43 -8.085 -11.579 0.010 1.00 32.43 H new ATOM 0 HA ASN A 43 -7.256 -13.037 -1.337 1.00 40.41 H new ATOM 0 HB2 ASN A 43 -9.342 -14.217 -0.741 1.00 14.54 H new ATOM 0 HB3 ASN A 43 -10.115 -13.588 -2.183 1.00 14.54 H new ATOM 0 HD21 ASN A 43 -7.508 -15.756 -1.115 1.00 64.23 H new ATOM 0 HD22 ASN A 43 -7.571 -16.736 -2.583 1.00 64.23 H new ATOM 645 N VAL A 44 -6.790 -11.333 -3.164 1.00 55.45 N ATOM 646 CA VAL A 44 -6.193 -10.879 -4.407 1.00 52.41 C ATOM 647 C VAL A 44 -4.751 -11.381 -4.520 1.00 44.02 C ATOM 648 O VAL A 44 -3.971 -11.274 -3.590 1.00 64.32 O ATOM 649 CB VAL A 44 -6.284 -9.318 -4.600 1.00 13.23 C ATOM 650 CG1 VAL A 44 -5.526 -8.549 -3.537 1.00 0.13 C ATOM 651 CG2 VAL A 44 -5.832 -8.905 -5.990 1.00 0.51 C ATOM 0 H VAL A 44 -6.361 -10.943 -2.325 1.00 55.45 H new ATOM 0 HA VAL A 44 -6.776 -11.311 -5.221 1.00 52.41 H new ATOM 0 HB VAL A 44 -7.337 -9.058 -4.488 1.00 13.23 H new ATOM 0 HG11 VAL A 44 -5.625 -7.479 -3.722 1.00 0.13 H new ATOM 0 HG12 VAL A 44 -5.935 -8.787 -2.555 1.00 0.13 H new ATOM 0 HG13 VAL A 44 -4.472 -8.827 -3.569 1.00 0.13 H new ATOM 0 HG21 VAL A 44 -5.907 -7.822 -6.090 1.00 0.51 H new ATOM 0 HG22 VAL A 44 -4.798 -9.213 -6.143 1.00 0.51 H new ATOM 0 HG23 VAL A 44 -6.467 -9.383 -6.736 1.00 0.51 H new ATOM 661 N ASP A 45 -4.438 -11.945 -5.651 1.00 54.22 N ATOM 662 CA ASP A 45 -3.110 -12.463 -5.958 1.00 63.24 C ATOM 663 C ASP A 45 -2.555 -11.629 -7.066 1.00 40.44 C ATOM 664 O ASP A 45 -3.326 -10.908 -7.734 1.00 3.33 O ATOM 665 CB ASP A 45 -3.179 -13.930 -6.438 1.00 11.05 C ATOM 666 CG ASP A 45 -3.253 -14.995 -5.347 1.00 54.24 C ATOM 667 OD1 ASP A 45 -4.173 -14.979 -4.496 1.00 13.30 O ATOM 668 OD2 ASP A 45 -2.378 -15.898 -5.357 1.00 3.42 O ATOM 0 H ASP A 45 -5.106 -12.067 -6.412 1.00 54.22 H new ATOM 0 HA ASP A 45 -2.489 -12.425 -5.063 1.00 63.24 H new ATOM 0 HB2 ASP A 45 -4.052 -14.039 -7.082 1.00 11.05 H new ATOM 0 HB3 ASP A 45 -2.302 -14.130 -7.053 1.00 11.05 H new ATOM 673 N TYR A 46 -1.242 -11.688 -7.289 1.00 42.45 N ATOM 674 CA TYR A 46 -0.634 -10.957 -8.381 1.00 13.23 C ATOM 675 C TYR A 46 -1.254 -11.295 -9.710 1.00 32.32 C ATOM 676 O TYR A 46 -1.312 -12.459 -10.127 1.00 75.24 O ATOM 677 CB TYR A 46 0.879 -11.137 -8.419 1.00 40.52 C ATOM 678 CG TYR A 46 1.584 -10.480 -7.268 1.00 42.42 C ATOM 679 CD1 TYR A 46 1.816 -9.117 -7.275 1.00 21.31 C ATOM 680 CD2 TYR A 46 2.010 -11.207 -6.178 1.00 15.01 C ATOM 681 CE1 TYR A 46 2.456 -8.498 -6.228 1.00 0.53 C ATOM 682 CE2 TYR A 46 2.651 -10.593 -5.125 1.00 41.24 C ATOM 683 CZ TYR A 46 2.872 -9.238 -5.159 1.00 32.52 C ATOM 684 OH TYR A 46 3.511 -8.622 -4.114 1.00 24.34 O ATOM 0 H TYR A 46 -0.589 -12.234 -6.727 1.00 42.45 H new ATOM 0 HA TYR A 46 -0.834 -9.903 -8.190 1.00 13.23 H new ATOM 0 HB2 TYR A 46 1.111 -12.202 -8.418 1.00 40.52 H new ATOM 0 HB3 TYR A 46 1.263 -10.727 -9.353 1.00 40.52 H new ATOM 0 HD1 TYR A 46 1.488 -8.528 -8.119 1.00 21.31 H new ATOM 0 HD2 TYR A 46 1.839 -12.273 -6.149 1.00 15.01 H new ATOM 0 HE1 TYR A 46 2.629 -7.432 -6.251 1.00 0.53 H new ATOM 0 HE2 TYR A 46 2.979 -11.175 -4.276 1.00 41.24 H new ATOM 0 HH TYR A 46 3.324 -9.108 -3.284 1.00 24.34 H new ATOM 694 N GLY A 47 -1.711 -10.277 -10.346 1.00 15.03 N ATOM 695 CA GLY A 47 -2.404 -10.376 -11.572 1.00 41.35 C ATOM 696 C GLY A 47 -3.340 -9.231 -11.647 1.00 63.52 C ATOM 697 O GLY A 47 -3.481 -8.575 -12.688 1.00 60.42 O ATOM 0 H GLY A 47 -1.607 -9.319 -10.012 1.00 15.03 H new ATOM 0 HA2 GLY A 47 -1.707 -10.357 -12.409 1.00 41.35 H new ATOM 0 HA3 GLY A 47 -2.947 -11.319 -11.631 1.00 41.35 H new ATOM 701 N SER A 48 -3.977 -8.968 -10.533 1.00 12.42 N ATOM 702 CA SER A 48 -4.820 -7.844 -10.412 1.00 10.30 C ATOM 703 C SER A 48 -3.995 -6.688 -9.853 1.00 64.31 C ATOM 704 O SER A 48 -3.182 -6.874 -8.939 1.00 65.24 O ATOM 705 CB SER A 48 -5.980 -8.191 -9.503 1.00 44.04 C ATOM 706 OG SER A 48 -6.668 -9.334 -10.008 1.00 61.42 O ATOM 0 H SER A 48 -3.914 -9.540 -9.691 1.00 12.42 H new ATOM 0 HA SER A 48 -5.228 -7.549 -11.379 1.00 10.30 H new ATOM 0 HB2 SER A 48 -5.616 -8.391 -8.495 1.00 44.04 H new ATOM 0 HB3 SER A 48 -6.664 -7.345 -9.433 1.00 44.04 H new ATOM 0 HG SER A 48 -7.191 -9.745 -9.289 1.00 61.42 H new ATOM 712 N THR A 49 -4.164 -5.533 -10.416 1.00 32.52 N ATOM 713 CA THR A 49 -3.419 -4.385 -10.007 1.00 50.21 C ATOM 714 C THR A 49 -4.350 -3.391 -9.349 1.00 43.31 C ATOM 715 O THR A 49 -5.561 -3.636 -9.263 1.00 24.21 O ATOM 716 CB THR A 49 -2.746 -3.708 -11.215 1.00 10.54 C ATOM 717 OG1 THR A 49 -3.748 -3.181 -12.092 1.00 72.22 O ATOM 718 CG2 THR A 49 -1.900 -4.710 -11.984 1.00 54.14 C ATOM 0 H THR A 49 -4.824 -5.360 -11.174 1.00 32.52 H new ATOM 0 HA THR A 49 -2.648 -4.708 -9.307 1.00 50.21 H new ATOM 0 HB THR A 49 -2.108 -2.904 -10.848 1.00 10.54 H new ATOM 0 HG1 THR A 49 -4.105 -3.902 -12.651 1.00 72.22 H new ATOM 0 HG21 THR A 49 -1.432 -4.214 -12.834 1.00 54.14 H new ATOM 0 HG22 THR A 49 -1.128 -5.113 -11.329 1.00 54.14 H new ATOM 0 HG23 THR A 49 -2.533 -5.522 -12.341 1.00 54.14 H new ATOM 726 N ALA A 50 -3.806 -2.274 -8.894 1.00 35.33 N ATOM 727 CA ALA A 50 -4.595 -1.217 -8.304 1.00 61.34 C ATOM 728 C ALA A 50 -5.582 -0.678 -9.348 1.00 54.13 C ATOM 729 O ALA A 50 -6.724 -0.373 -9.042 1.00 54.35 O ATOM 730 CB ALA A 50 -3.650 -0.128 -7.832 1.00 22.01 C ATOM 0 H ALA A 50 -2.805 -2.079 -8.925 1.00 35.33 H new ATOM 0 HA ALA A 50 -5.169 -1.586 -7.454 1.00 61.34 H new ATOM 0 HB1 ALA A 50 -4.224 0.682 -7.382 1.00 22.01 H new ATOM 0 HB2 ALA A 50 -2.962 -0.539 -7.093 1.00 22.01 H new ATOM 0 HB3 ALA A 50 -3.084 0.256 -8.681 1.00 22.01 H new ATOM 736 N GLN A 51 -5.106 -0.574 -10.579 1.00 2.24 N ATOM 737 CA GLN A 51 -5.925 -0.194 -11.728 1.00 45.13 C ATOM 738 C GLN A 51 -7.111 -1.161 -11.921 1.00 51.44 C ATOM 739 O GLN A 51 -8.249 -0.716 -12.121 1.00 13.35 O ATOM 740 CB GLN A 51 -5.047 -0.200 -12.968 1.00 54.23 C ATOM 741 CG GLN A 51 -5.785 0.028 -14.261 1.00 53.31 C ATOM 742 CD GLN A 51 -4.881 -0.134 -15.450 1.00 23.13 C ATOM 743 OE1 GLN A 51 -3.901 -0.848 -15.402 1.00 24.41 O ATOM 744 NE2 GLN A 51 -5.247 0.418 -16.530 1.00 55.24 N ATOM 0 H GLN A 51 -4.130 -0.752 -10.815 1.00 2.24 H new ATOM 0 HA GLN A 51 -6.337 0.800 -11.555 1.00 45.13 H new ATOM 0 HB2 GLN A 51 -4.284 0.570 -12.860 1.00 54.23 H new ATOM 0 HB3 GLN A 51 -4.528 -1.157 -13.025 1.00 54.23 H new ATOM 0 HG2 GLN A 51 -6.615 -0.675 -14.336 1.00 53.31 H new ATOM 0 HG3 GLN A 51 -6.215 1.030 -14.264 1.00 53.31 H new ATOM 0 HE21 GLN A 51 -6.075 1.014 -16.543 1.00 55.24 H new ATOM 0 HE22 GLN A 51 -4.714 0.267 -17.386 1.00 55.24 H new ATOM 753 N ASP A 52 -6.837 -2.477 -11.855 1.00 44.20 N ATOM 754 CA ASP A 52 -7.899 -3.516 -11.983 1.00 41.25 C ATOM 755 C ASP A 52 -8.942 -3.322 -10.917 1.00 51.05 C ATOM 756 O ASP A 52 -10.146 -3.437 -11.164 1.00 31.13 O ATOM 757 CB ASP A 52 -7.336 -4.949 -11.839 1.00 31.12 C ATOM 758 CG ASP A 52 -6.436 -5.393 -12.955 1.00 13.44 C ATOM 759 OD1 ASP A 52 -5.249 -5.060 -12.936 1.00 54.51 O ATOM 760 OD2 ASP A 52 -6.894 -6.128 -13.842 1.00 35.21 O ATOM 0 H ASP A 52 -5.899 -2.853 -11.715 1.00 44.20 H new ATOM 0 HA ASP A 52 -8.328 -3.403 -12.979 1.00 41.25 H new ATOM 0 HB2 ASP A 52 -6.785 -5.014 -10.901 1.00 31.12 H new ATOM 0 HB3 ASP A 52 -8.171 -5.646 -11.767 1.00 31.12 H new ATOM 765 N LEU A 53 -8.468 -2.999 -9.740 1.00 25.45 N ATOM 766 CA LEU A 53 -9.315 -2.790 -8.601 1.00 42.32 C ATOM 767 C LEU A 53 -10.125 -1.530 -8.747 1.00 43.04 C ATOM 768 O LEU A 53 -11.348 -1.554 -8.554 1.00 61.24 O ATOM 769 CB LEU A 53 -8.451 -2.709 -7.350 1.00 72.21 C ATOM 770 CG LEU A 53 -7.873 -4.021 -6.854 1.00 71.11 C ATOM 771 CD1 LEU A 53 -6.798 -3.770 -5.816 1.00 42.14 C ATOM 772 CD2 LEU A 53 -8.996 -4.854 -6.258 1.00 11.13 C ATOM 0 H LEU A 53 -7.474 -2.873 -9.548 1.00 25.45 H new ATOM 0 HA LEU A 53 -10.010 -3.626 -8.523 1.00 42.32 H new ATOM 0 HB2 LEU A 53 -7.627 -2.023 -7.546 1.00 72.21 H new ATOM 0 HB3 LEU A 53 -9.047 -2.272 -6.549 1.00 72.21 H new ATOM 0 HG LEU A 53 -7.417 -4.557 -7.687 1.00 71.11 H new ATOM 0 HD11 LEU A 53 -6.395 -4.723 -5.472 1.00 42.14 H new ATOM 0 HD12 LEU A 53 -5.998 -3.176 -6.257 1.00 42.14 H new ATOM 0 HD13 LEU A 53 -7.227 -3.231 -4.971 1.00 42.14 H new ATOM 0 HD21 LEU A 53 -8.595 -5.801 -5.897 1.00 11.13 H new ATOM 0 HD22 LEU A 53 -9.450 -4.312 -5.428 1.00 11.13 H new ATOM 0 HD23 LEU A 53 -9.750 -5.047 -7.021 1.00 11.13 H new ATOM 784 N GLU A 54 -9.468 -0.432 -9.113 1.00 30.52 N ATOM 785 CA GLU A 54 -10.141 0.835 -9.246 1.00 22.22 C ATOM 786 C GLU A 54 -11.233 0.780 -10.284 1.00 53.11 C ATOM 787 O GLU A 54 -12.333 1.145 -10.001 1.00 21.33 O ATOM 788 CB GLU A 54 -9.160 1.902 -9.677 1.00 1.22 C ATOM 789 CG GLU A 54 -9.752 3.304 -9.631 1.00 61.44 C ATOM 790 CD GLU A 54 -9.373 4.152 -10.806 1.00 25.22 C ATOM 791 OE1 GLU A 54 -10.082 4.117 -11.837 1.00 40.42 O ATOM 792 OE2 GLU A 54 -8.389 4.883 -10.731 1.00 35.34 O ATOM 0 H GLU A 54 -8.470 -0.405 -9.320 1.00 30.52 H new ATOM 0 HA GLU A 54 -10.573 1.067 -8.273 1.00 22.22 H new ATOM 0 HB2 GLU A 54 -8.282 1.863 -9.033 1.00 1.22 H new ATOM 0 HB3 GLU A 54 -8.821 1.689 -10.691 1.00 1.22 H new ATOM 0 HG2 GLU A 54 -10.838 3.230 -9.582 1.00 61.44 H new ATOM 0 HG3 GLU A 54 -9.425 3.798 -8.716 1.00 61.44 H new ATOM 799 N ALA A 55 -10.917 0.283 -11.469 1.00 41.40 N ATOM 800 CA ALA A 55 -11.894 0.211 -12.559 1.00 74.31 C ATOM 801 C ALA A 55 -13.094 -0.629 -12.153 1.00 15.21 C ATOM 802 O ALA A 55 -14.259 -0.235 -12.368 1.00 44.00 O ATOM 803 CB ALA A 55 -11.242 -0.359 -13.809 1.00 4.25 C ATOM 0 H ALA A 55 -9.993 -0.078 -11.707 1.00 41.40 H new ATOM 0 HA ALA A 55 -12.245 1.220 -12.776 1.00 74.31 H new ATOM 0 HB1 ALA A 55 -11.977 -0.408 -14.613 1.00 4.25 H new ATOM 0 HB2 ALA A 55 -10.415 0.282 -14.113 1.00 4.25 H new ATOM 0 HB3 ALA A 55 -10.867 -1.361 -13.599 1.00 4.25 H new ATOM 809 N HIS A 56 -12.821 -1.737 -11.501 1.00 34.03 N ATOM 810 CA HIS A 56 -13.878 -2.670 -11.141 1.00 10.44 C ATOM 811 C HIS A 56 -14.806 -2.047 -10.103 1.00 20.10 C ATOM 812 O HIS A 56 -16.017 -2.218 -10.154 1.00 60.40 O ATOM 813 CB HIS A 56 -13.284 -3.991 -10.627 1.00 10.33 C ATOM 814 CG HIS A 56 -14.297 -5.080 -10.395 1.00 3.32 C ATOM 815 ND1 HIS A 56 -14.588 -6.035 -11.333 1.00 4.43 N ATOM 816 CD2 HIS A 56 -15.064 -5.373 -9.319 1.00 61.10 C ATOM 817 CE1 HIS A 56 -15.482 -6.865 -10.857 1.00 72.20 C ATOM 818 NE2 HIS A 56 -15.793 -6.491 -9.636 1.00 21.44 N ATOM 0 H HIS A 56 -11.885 -2.017 -11.209 1.00 34.03 H new ATOM 0 HA HIS A 56 -14.464 -2.891 -12.033 1.00 10.44 H new ATOM 0 HB2 HIS A 56 -12.545 -4.346 -11.345 1.00 10.33 H new ATOM 0 HB3 HIS A 56 -12.755 -3.799 -9.693 1.00 10.33 H new ATOM 0 HD2 HIS A 56 -15.096 -4.829 -8.387 1.00 61.10 H new ATOM 0 HE1 HIS A 56 -15.895 -7.715 -11.380 1.00 72.20 H new ATOM 0 HE2 HIS A 56 -16.465 -6.955 -9.025 1.00 21.44 H new ATOM 827 N PHE A 57 -14.227 -1.333 -9.171 1.00 24.30 N ATOM 828 CA PHE A 57 -14.980 -0.658 -8.141 1.00 12.23 C ATOM 829 C PHE A 57 -15.547 0.678 -8.600 1.00 23.32 C ATOM 830 O PHE A 57 -16.520 1.173 -8.048 1.00 0.31 O ATOM 831 CB PHE A 57 -14.217 -0.570 -6.828 1.00 20.11 C ATOM 832 CG PHE A 57 -14.161 -1.886 -6.110 1.00 21.24 C ATOM 833 CD1 PHE A 57 -15.270 -2.338 -5.442 1.00 2.32 C ATOM 834 CD2 PHE A 57 -13.025 -2.672 -6.109 1.00 3.02 C ATOM 835 CE1 PHE A 57 -15.259 -3.545 -4.778 1.00 73.44 C ATOM 836 CE2 PHE A 57 -13.010 -3.884 -5.447 1.00 31.21 C ATOM 837 CZ PHE A 57 -14.131 -4.316 -4.783 1.00 52.45 C ATOM 0 H PHE A 57 -13.218 -1.202 -9.104 1.00 24.30 H new ATOM 0 HA PHE A 57 -15.850 -1.283 -7.938 1.00 12.23 H new ATOM 0 HB2 PHE A 57 -13.203 -0.222 -7.023 1.00 20.11 H new ATOM 0 HB3 PHE A 57 -14.690 0.172 -6.185 1.00 20.11 H new ATOM 0 HD1 PHE A 57 -16.168 -1.737 -5.436 1.00 2.32 H new ATOM 0 HD2 PHE A 57 -12.141 -2.336 -6.630 1.00 3.02 H new ATOM 0 HE1 PHE A 57 -16.141 -3.882 -4.254 1.00 73.44 H new ATOM 0 HE2 PHE A 57 -12.117 -4.491 -5.452 1.00 31.21 H new ATOM 0 HZ PHE A 57 -14.121 -5.264 -4.265 1.00 52.45 H new ATOM 847 N SER A 58 -14.949 1.229 -9.634 1.00 75.15 N ATOM 848 CA SER A 58 -15.323 2.528 -10.166 1.00 11.41 C ATOM 849 C SER A 58 -16.671 2.420 -10.836 1.00 25.33 C ATOM 850 O SER A 58 -17.391 3.408 -10.975 1.00 5.25 O ATOM 851 CB SER A 58 -14.266 3.048 -11.157 1.00 30.22 C ATOM 852 OG SER A 58 -14.574 4.356 -11.635 1.00 51.02 O ATOM 0 H SER A 58 -14.180 0.785 -10.137 1.00 75.15 H new ATOM 0 HA SER A 58 -15.381 3.243 -9.345 1.00 11.41 H new ATOM 0 HB2 SER A 58 -13.290 3.061 -10.671 1.00 30.22 H new ATOM 0 HB3 SER A 58 -14.193 2.362 -12.001 1.00 30.22 H new ATOM 0 HG SER A 58 -13.878 4.648 -12.259 1.00 51.02 H new ATOM 858 N SER A 59 -17.019 1.222 -11.268 1.00 21.31 N ATOM 859 CA SER A 59 -18.327 0.978 -11.800 1.00 21.42 C ATOM 860 C SER A 59 -19.405 1.285 -10.727 1.00 33.12 C ATOM 861 O SER A 59 -20.513 1.712 -11.047 1.00 15.30 O ATOM 862 CB SER A 59 -18.403 -0.477 -12.226 1.00 14.45 C ATOM 863 OG SER A 59 -17.322 -0.791 -13.095 1.00 52.25 O ATOM 0 H SER A 59 -16.405 0.407 -11.257 1.00 21.31 H new ATOM 0 HA SER A 59 -18.511 1.625 -12.657 1.00 21.42 H new ATOM 0 HB2 SER A 59 -18.373 -1.123 -11.348 1.00 14.45 H new ATOM 0 HB3 SER A 59 -19.351 -0.667 -12.729 1.00 14.45 H new ATOM 0 HG SER A 59 -17.380 -1.732 -13.362 1.00 52.25 H new ATOM 869 N CYS A 60 -19.043 1.091 -9.462 1.00 64.23 N ATOM 870 CA CYS A 60 -19.940 1.306 -8.340 1.00 54.44 C ATOM 871 C CYS A 60 -19.867 2.748 -7.782 1.00 23.02 C ATOM 872 O CYS A 60 -20.583 3.081 -6.841 1.00 34.43 O ATOM 873 CB CYS A 60 -19.595 0.311 -7.229 1.00 20.12 C ATOM 874 SG CYS A 60 -19.667 -1.425 -7.732 1.00 54.14 S ATOM 0 H CYS A 60 -18.111 0.778 -9.189 1.00 64.23 H new ATOM 0 HA CYS A 60 -20.958 1.153 -8.699 1.00 54.44 H new ATOM 0 HB2 CYS A 60 -18.592 0.529 -6.861 1.00 20.12 H new ATOM 0 HB3 CYS A 60 -20.280 0.464 -6.395 1.00 20.12 H new ATOM 0 HG CYS A 60 -20.192 -2.132 -6.776 1.00 54.14 H new ATOM 880 N GLY A 61 -19.054 3.605 -8.385 1.00 22.10 N ATOM 881 CA GLY A 61 -18.910 4.956 -7.844 1.00 71.42 C ATOM 882 C GLY A 61 -17.528 5.558 -8.034 1.00 54.23 C ATOM 883 O GLY A 61 -16.746 5.087 -8.856 1.00 71.05 O ATOM 0 H GLY A 61 -18.501 3.404 -9.218 1.00 22.10 H new ATOM 0 HA2 GLY A 61 -19.646 5.606 -8.318 1.00 71.42 H new ATOM 0 HA3 GLY A 61 -19.142 4.936 -6.779 1.00 71.42 H new ATOM 887 N SER A 62 -17.225 6.596 -7.277 1.00 43.52 N ATOM 888 CA SER A 62 -15.962 7.293 -7.402 1.00 75.13 C ATOM 889 C SER A 62 -15.045 6.918 -6.239 1.00 44.12 C ATOM 890 O SER A 62 -15.472 6.907 -5.078 1.00 73.14 O ATOM 891 CB SER A 62 -16.203 8.813 -7.426 1.00 21.31 C ATOM 892 OG SER A 62 -15.008 9.526 -7.687 1.00 70.12 O ATOM 0 H SER A 62 -17.845 6.977 -6.562 1.00 43.52 H new ATOM 0 HA SER A 62 -15.481 7.000 -8.335 1.00 75.13 H new ATOM 0 HB2 SER A 62 -16.944 9.052 -8.189 1.00 21.31 H new ATOM 0 HB3 SER A 62 -16.616 9.132 -6.469 1.00 21.31 H new ATOM 0 HG SER A 62 -15.196 10.488 -7.697 1.00 70.12 H new ATOM 898 N ILE A 63 -13.813 6.591 -6.556 1.00 35.14 N ATOM 899 CA ILE A 63 -12.836 6.188 -5.565 1.00 42.23 C ATOM 900 C ILE A 63 -11.904 7.349 -5.143 1.00 34.14 C ATOM 901 O ILE A 63 -11.425 8.120 -5.974 1.00 52.14 O ATOM 902 CB ILE A 63 -12.019 4.992 -6.095 1.00 10.01 C ATOM 903 CG1 ILE A 63 -12.968 3.817 -6.374 1.00 21.42 C ATOM 904 CG2 ILE A 63 -10.926 4.589 -5.119 1.00 5.40 C ATOM 905 CD1 ILE A 63 -12.297 2.599 -6.949 1.00 5.44 C ATOM 0 H ILE A 63 -13.457 6.596 -7.512 1.00 35.14 H new ATOM 0 HA ILE A 63 -13.379 5.888 -4.669 1.00 42.23 H new ATOM 0 HB ILE A 63 -11.525 5.285 -7.021 1.00 10.01 H new ATOM 0 HG12 ILE A 63 -13.465 3.538 -5.445 1.00 21.42 H new ATOM 0 HG13 ILE A 63 -13.744 4.149 -7.063 1.00 21.42 H new ATOM 0 HG21 ILE A 63 -10.370 3.743 -5.524 1.00 5.40 H new ATOM 0 HG22 ILE A 63 -10.248 5.429 -4.965 1.00 5.40 H new ATOM 0 HG23 ILE A 63 -11.375 4.305 -4.167 1.00 5.40 H new ATOM 0 HD11 ILE A 63 -13.040 1.819 -7.115 1.00 5.44 H new ATOM 0 HD12 ILE A 63 -11.824 2.857 -7.897 1.00 5.44 H new ATOM 0 HD13 ILE A 63 -11.540 2.238 -6.253 1.00 5.44 H new ATOM 917 N ASN A 64 -11.687 7.454 -3.841 1.00 54.43 N ATOM 918 CA ASN A 64 -10.812 8.472 -3.240 1.00 40.31 C ATOM 919 C ASN A 64 -9.423 7.938 -2.978 1.00 21.11 C ATOM 920 O ASN A 64 -8.416 8.624 -3.227 1.00 42.03 O ATOM 921 CB ASN A 64 -11.416 8.972 -1.935 1.00 72.02 C ATOM 922 CG ASN A 64 -12.571 9.912 -2.143 1.00 73.53 C ATOM 923 OD1 ASN A 64 -13.576 9.769 -1.374 1.00 52.41 O flip ATOM 924 ND2 ASN A 64 -12.572 10.720 -3.051 1.00 22.44 N flip ATOM 0 H ASN A 64 -12.115 6.831 -3.156 1.00 54.43 H new ATOM 0 HA ASN A 64 -10.729 9.293 -3.952 1.00 40.31 H new ATOM 0 HB2 ASN A 64 -11.751 8.118 -1.346 1.00 72.02 H new ATOM 0 HB3 ASN A 64 -10.644 9.477 -1.354 1.00 72.02 H new ATOM 0 HD21 ASN A 64 -11.753 10.813 -3.652 1.00 22.44 H new ATOM 0 HD22 ASN A 64 -13.392 11.305 -3.212 1.00 22.44 H new ATOM 931 N ARG A 65 -9.364 6.729 -2.484 1.00 2.21 N ATOM 932 CA ARG A 65 -8.107 6.070 -2.157 1.00 13.30 C ATOM 933 C ARG A 65 -8.278 4.596 -2.239 1.00 32.44 C ATOM 934 O ARG A 65 -9.405 4.097 -2.194 1.00 31.22 O ATOM 935 CB ARG A 65 -7.610 6.368 -0.733 1.00 41.35 C ATOM 936 CG ARG A 65 -7.212 7.791 -0.408 1.00 71.02 C ATOM 937 CD ARG A 65 -6.552 7.821 0.954 1.00 34.11 C ATOM 938 NE ARG A 65 -5.906 9.112 1.227 1.00 74.22 N ATOM 939 CZ ARG A 65 -4.609 9.249 1.560 1.00 54.42 C ATOM 940 NH1 ARG A 65 -3.831 8.172 1.700 1.00 11.31 N ATOM 941 NH2 ARG A 65 -4.097 10.450 1.757 1.00 60.34 N ATOM 0 H ARG A 65 -10.189 6.161 -2.292 1.00 2.21 H new ATOM 0 HA ARG A 65 -7.381 6.453 -2.874 1.00 13.30 H new ATOM 0 HB2 ARG A 65 -8.394 6.072 -0.036 1.00 41.35 H new ATOM 0 HB3 ARG A 65 -6.751 5.727 -0.537 1.00 41.35 H new ATOM 0 HG2 ARG A 65 -6.528 8.173 -1.166 1.00 71.02 H new ATOM 0 HG3 ARG A 65 -8.089 8.438 -0.415 1.00 71.02 H new ATOM 0 HD2 ARG A 65 -7.298 7.620 1.722 1.00 34.11 H new ATOM 0 HD3 ARG A 65 -5.810 7.025 1.014 1.00 34.11 H new ATOM 0 HE ARG A 65 -6.475 9.956 1.160 1.00 74.22 H new ATOM 0 HH11 ARG A 65 -4.219 7.240 1.554 1.00 11.31 H new ATOM 0 HH12 ARG A 65 -2.849 8.282 1.952 1.00 11.31 H new ATOM 0 HH21 ARG A 65 -4.685 11.278 1.657 1.00 60.34 H new ATOM 0 HH22 ARG A 65 -3.114 10.550 2.009 1.00 60.34 H new ATOM 955 N ILE A 66 -7.173 3.897 -2.336 1.00 61.43 N ATOM 956 CA ILE A 66 -7.160 2.464 -2.281 1.00 52.11 C ATOM 957 C ILE A 66 -5.856 2.042 -1.652 1.00 62.13 C ATOM 958 O ILE A 66 -4.817 2.687 -1.856 1.00 62.14 O ATOM 959 CB ILE A 66 -7.377 1.696 -3.654 1.00 14.42 C ATOM 960 CG1 ILE A 66 -6.280 1.928 -4.667 1.00 14.32 C ATOM 961 CG2 ILE A 66 -8.718 1.995 -4.277 1.00 14.23 C ATOM 962 CD1 ILE A 66 -6.515 1.165 -5.967 1.00 2.52 C ATOM 0 H ILE A 66 -6.251 4.316 -2.456 1.00 61.43 H new ATOM 0 HA ILE A 66 -8.032 2.178 -1.692 1.00 52.11 H new ATOM 0 HB ILE A 66 -7.344 0.642 -3.378 1.00 14.42 H new ATOM 0 HG12 ILE A 66 -6.209 2.994 -4.883 1.00 14.32 H new ATOM 0 HG13 ILE A 66 -5.324 1.625 -4.239 1.00 14.32 H new ATOM 0 HG21 ILE A 66 -8.815 1.445 -5.213 1.00 14.23 H new ATOM 0 HG22 ILE A 66 -9.512 1.692 -3.594 1.00 14.23 H new ATOM 0 HG23 ILE A 66 -8.797 3.064 -4.474 1.00 14.23 H new ATOM 0 HD11 ILE A 66 -5.698 1.367 -6.660 1.00 2.52 H new ATOM 0 HD12 ILE A 66 -6.559 0.096 -5.759 1.00 2.52 H new ATOM 0 HD13 ILE A 66 -7.456 1.487 -6.413 1.00 2.52 H new ATOM 974 N THR A 67 -5.920 1.028 -0.875 1.00 4.13 N ATOM 975 CA THR A 67 -4.782 0.481 -0.210 1.00 10.20 C ATOM 976 C THR A 67 -4.723 -0.977 -0.573 1.00 10.22 C ATOM 977 O THR A 67 -5.704 -1.669 -0.430 1.00 24.31 O ATOM 978 CB THR A 67 -4.927 0.636 1.318 1.00 11.33 C ATOM 979 OG1 THR A 67 -5.113 2.019 1.637 1.00 11.20 O ATOM 980 CG2 THR A 67 -3.698 0.110 2.045 1.00 3.34 C ATOM 0 H THR A 67 -6.789 0.534 -0.672 1.00 4.13 H new ATOM 0 HA THR A 67 -3.872 1.000 -0.512 1.00 10.20 H new ATOM 0 HB THR A 67 -5.790 0.054 1.642 1.00 11.33 H new ATOM 0 HG1 THR A 67 -5.207 2.121 2.607 1.00 11.20 H new ATOM 0 HG21 THR A 67 -3.831 0.233 3.120 1.00 3.34 H new ATOM 0 HG22 THR A 67 -3.564 -0.947 1.815 1.00 3.34 H new ATOM 0 HG23 THR A 67 -2.818 0.666 1.722 1.00 3.34 H new ATOM 988 N ILE A 68 -3.616 -1.443 -1.051 1.00 53.03 N ATOM 989 CA ILE A 68 -3.517 -2.813 -1.462 1.00 0.24 C ATOM 990 C ILE A 68 -2.348 -3.389 -0.724 1.00 41.22 C ATOM 991 O ILE A 68 -1.272 -2.838 -0.784 1.00 3.03 O ATOM 992 CB ILE A 68 -3.231 -3.000 -3.008 1.00 25.21 C ATOM 993 CG1 ILE A 68 -4.101 -2.100 -3.915 1.00 74.30 C ATOM 994 CG2 ILE A 68 -3.407 -4.460 -3.417 1.00 41.31 C ATOM 995 CD1 ILE A 68 -3.639 -0.661 -3.978 1.00 70.24 C ATOM 0 H ILE A 68 -2.763 -0.897 -1.168 1.00 53.03 H new ATOM 0 HA ILE A 68 -4.471 -3.297 -1.251 1.00 0.24 H new ATOM 0 HB ILE A 68 -2.196 -2.691 -3.155 1.00 25.21 H new ATOM 0 HG12 ILE A 68 -4.106 -2.514 -4.923 1.00 74.30 H new ATOM 0 HG13 ILE A 68 -5.130 -2.125 -3.555 1.00 74.30 H new ATOM 0 HG21 ILE A 68 -3.206 -4.566 -4.483 1.00 41.31 H new ATOM 0 HG22 ILE A 68 -2.712 -5.082 -2.853 1.00 41.31 H new ATOM 0 HG23 ILE A 68 -4.429 -4.776 -3.208 1.00 41.31 H new ATOM 0 HD11 ILE A 68 -4.300 -0.095 -4.634 1.00 70.24 H new ATOM 0 HD12 ILE A 68 -3.662 -0.228 -2.978 1.00 70.24 H new ATOM 0 HD13 ILE A 68 -2.622 -0.622 -4.367 1.00 70.24 H new ATOM 1007 N LEU A 69 -2.549 -4.415 0.015 1.00 11.20 N ATOM 1008 CA LEU A 69 -1.451 -5.053 0.680 1.00 70.15 C ATOM 1009 C LEU A 69 -1.324 -6.510 0.274 1.00 73.21 C ATOM 1010 O LEU A 69 -2.289 -7.262 0.359 1.00 0.15 O ATOM 1011 CB LEU A 69 -1.391 -4.822 2.223 1.00 11.00 C ATOM 1012 CG LEU A 69 -2.594 -5.209 3.085 1.00 2.11 C ATOM 1013 CD1 LEU A 69 -2.165 -5.149 4.546 1.00 3.22 C ATOM 1014 CD2 LEU A 69 -3.745 -4.223 2.883 1.00 1.43 C ATOM 0 H LEU A 69 -3.461 -4.840 0.182 1.00 11.20 H new ATOM 0 HA LEU A 69 -0.556 -4.543 0.323 1.00 70.15 H new ATOM 0 HB2 LEU A 69 -0.527 -5.367 2.603 1.00 11.00 H new ATOM 0 HB3 LEU A 69 -1.197 -3.762 2.388 1.00 11.00 H new ATOM 0 HG LEU A 69 -2.930 -6.207 2.805 1.00 2.11 H new ATOM 0 HD11 LEU A 69 -3.006 -5.421 5.184 1.00 3.22 H new ATOM 0 HD12 LEU A 69 -1.343 -5.845 4.713 1.00 3.22 H new ATOM 0 HD13 LEU A 69 -1.838 -4.138 4.788 1.00 3.22 H new ATOM 0 HD21 LEU A 69 -4.590 -4.518 3.506 1.00 1.43 H new ATOM 0 HD22 LEU A 69 -3.419 -3.221 3.163 1.00 1.43 H new ATOM 0 HD23 LEU A 69 -4.047 -4.226 1.836 1.00 1.43 H new ATOM 1026 N CYS A 70 -0.152 -6.897 -0.172 1.00 11.33 N ATOM 1027 CA CYS A 70 0.105 -8.245 -0.642 1.00 33.14 C ATOM 1028 C CYS A 70 1.138 -8.900 0.263 1.00 73.23 C ATOM 1029 O CYS A 70 2.133 -8.262 0.614 1.00 21.15 O ATOM 1030 CB CYS A 70 0.632 -8.191 -2.081 1.00 41.43 C ATOM 1031 SG CYS A 70 -0.485 -7.367 -3.242 1.00 71.43 S ATOM 0 H CYS A 70 0.660 -6.282 -0.221 1.00 11.33 H new ATOM 0 HA CYS A 70 -0.816 -8.827 -0.621 1.00 33.14 H new ATOM 0 HB2 CYS A 70 1.592 -7.674 -2.087 1.00 41.43 H new ATOM 0 HB3 CYS A 70 0.816 -9.208 -2.428 1.00 41.43 H new ATOM 0 HG CYS A 70 0.045 -7.368 -4.429 1.00 71.43 H new ATOM 1037 N ASP A 71 0.912 -10.138 0.671 1.00 65.11 N ATOM 1038 CA ASP A 71 1.855 -10.786 1.575 1.00 45.43 C ATOM 1039 C ASP A 71 2.337 -12.127 1.066 1.00 5.33 C ATOM 1040 O ASP A 71 1.675 -12.771 0.292 1.00 33.01 O ATOM 1041 CB ASP A 71 1.242 -11.010 2.962 1.00 70.44 C ATOM 1042 CG ASP A 71 0.244 -12.157 3.012 1.00 50.41 C ATOM 1043 OD1 ASP A 71 0.661 -13.310 3.172 1.00 30.21 O ATOM 1044 OD2 ASP A 71 -0.956 -11.919 2.933 1.00 52.31 O ATOM 0 H ASP A 71 0.107 -10.704 0.401 1.00 65.11 H new ATOM 0 HA ASP A 71 2.702 -10.102 1.635 1.00 45.43 H new ATOM 0 HB2 ASP A 71 2.042 -11.205 3.676 1.00 70.44 H new ATOM 0 HB3 ASP A 71 0.746 -10.094 3.282 1.00 70.44 H new ATOM 1049 N LYS A 72 3.526 -12.503 1.481 1.00 70.11 N ATOM 1050 CA LYS A 72 4.045 -13.842 1.280 1.00 21.13 C ATOM 1051 C LYS A 72 4.387 -14.461 2.613 1.00 60.42 C ATOM 1052 O LYS A 72 5.141 -15.432 2.662 1.00 0.44 O ATOM 1053 CB LYS A 72 5.322 -13.906 0.416 1.00 20.35 C ATOM 1054 CG LYS A 72 5.181 -13.569 -1.045 1.00 3.34 C ATOM 1055 CD LYS A 72 4.984 -12.103 -1.294 1.00 55.43 C ATOM 1056 CE LYS A 72 4.893 -11.854 -2.765 1.00 1.33 C ATOM 1057 NZ LYS A 72 6.102 -12.312 -3.480 1.00 25.54 N ATOM 0 H LYS A 72 4.169 -11.883 1.973 1.00 70.11 H new ATOM 0 HA LYS A 72 3.254 -14.378 0.755 1.00 21.13 H new ATOM 0 HB2 LYS A 72 6.058 -13.229 0.850 1.00 20.35 H new ATOM 0 HB3 LYS A 72 5.732 -14.913 0.493 1.00 20.35 H new ATOM 0 HG2 LYS A 72 6.071 -13.905 -1.577 1.00 3.34 H new ATOM 0 HG3 LYS A 72 4.335 -14.119 -1.459 1.00 3.34 H new ATOM 0 HD2 LYS A 72 4.076 -11.758 -0.799 1.00 55.43 H new ATOM 0 HD3 LYS A 72 5.813 -11.537 -0.869 1.00 55.43 H new ATOM 0 HE2 LYS A 72 4.019 -12.367 -3.166 1.00 1.33 H new ATOM 0 HE3 LYS A 72 4.748 -10.789 -2.944 1.00 1.33 H new ATOM 0 HZ1 LYS A 72 6.151 -11.849 -4.410 1.00 25.54 H new ATOM 0 HZ2 LYS A 72 6.947 -12.066 -2.926 1.00 25.54 H new ATOM 0 HZ3 LYS A 72 6.060 -13.343 -3.608 1.00 25.54 H new ATOM 1071 N PHE A 73 3.846 -13.932 3.712 1.00 34.12 N ATOM 1072 CA PHE A 73 4.170 -14.519 5.015 1.00 32.24 C ATOM 1073 C PHE A 73 3.560 -15.920 5.108 1.00 32.21 C ATOM 1074 O PHE A 73 4.004 -16.763 5.895 1.00 10.13 O ATOM 1075 CB PHE A 73 3.765 -13.620 6.227 1.00 75.11 C ATOM 1076 CG PHE A 73 2.299 -13.580 6.587 1.00 75.04 C ATOM 1077 CD1 PHE A 73 1.754 -14.546 7.423 1.00 3.12 C ATOM 1078 CD2 PHE A 73 1.486 -12.587 6.123 1.00 44.13 C ATOM 1079 CE1 PHE A 73 0.425 -14.512 7.775 1.00 71.10 C ATOM 1080 CE2 PHE A 73 0.151 -12.549 6.469 1.00 14.31 C ATOM 1081 CZ PHE A 73 -0.377 -13.513 7.295 1.00 11.53 C ATOM 0 H PHE A 73 3.210 -13.135 3.732 1.00 34.12 H new ATOM 0 HA PHE A 73 5.255 -14.594 5.080 1.00 32.24 H new ATOM 0 HB2 PHE A 73 4.320 -13.959 7.102 1.00 75.11 H new ATOM 0 HB3 PHE A 73 4.091 -12.601 6.018 1.00 75.11 H new ATOM 0 HD1 PHE A 73 2.384 -15.337 7.803 1.00 3.12 H new ATOM 0 HD2 PHE A 73 1.892 -11.822 5.478 1.00 44.13 H new ATOM 0 HE1 PHE A 73 0.017 -15.270 8.427 1.00 71.10 H new ATOM 0 HE2 PHE A 73 -0.481 -11.760 6.090 1.00 14.31 H new ATOM 0 HZ PHE A 73 -1.422 -13.482 7.564 1.00 11.53 H new ATOM 1091 N SER A 74 2.543 -16.153 4.290 1.00 45.11 N ATOM 1092 CA SER A 74 1.918 -17.450 4.169 1.00 60.02 C ATOM 1093 C SER A 74 2.700 -18.334 3.167 1.00 1.21 C ATOM 1094 O SER A 74 2.307 -19.470 2.878 1.00 21.23 O ATOM 1095 CB SER A 74 0.485 -17.265 3.679 1.00 33.41 C ATOM 1096 OG SER A 74 -0.233 -16.379 4.528 1.00 55.41 O ATOM 0 H SER A 74 2.130 -15.438 3.690 1.00 45.11 H new ATOM 0 HA SER A 74 1.920 -17.942 5.141 1.00 60.02 H new ATOM 0 HB2 SER A 74 0.492 -16.874 2.662 1.00 33.41 H new ATOM 0 HB3 SER A 74 -0.019 -18.231 3.645 1.00 33.41 H new ATOM 0 HG SER A 74 -1.088 -16.787 4.779 1.00 55.41 H new ATOM 1102 N GLY A 75 3.799 -17.806 2.636 1.00 33.25 N ATOM 1103 CA GLY A 75 4.612 -18.518 1.663 1.00 32.24 C ATOM 1104 C GLY A 75 4.219 -18.147 0.256 1.00 14.53 C ATOM 1105 O GLY A 75 5.059 -17.899 -0.605 1.00 3.41 O ATOM 0 H GLY A 75 4.148 -16.876 2.869 1.00 33.25 H new ATOM 0 HA2 GLY A 75 5.665 -18.285 1.824 1.00 32.24 H new ATOM 0 HA3 GLY A 75 4.498 -19.593 1.805 1.00 32.24 H new ATOM 1109 N HIS A 76 2.937 -18.105 0.055 1.00 53.15 N ATOM 1110 CA HIS A 76 2.343 -17.769 -1.223 1.00 21.44 C ATOM 1111 C HIS A 76 1.975 -16.312 -1.202 1.00 31.32 C ATOM 1112 O HIS A 76 1.583 -15.791 -0.160 1.00 44.35 O ATOM 1113 CB HIS A 76 1.096 -18.625 -1.482 1.00 64.00 C ATOM 1114 CG HIS A 76 0.404 -18.437 -2.805 1.00 31.43 C ATOM 1115 ND1 HIS A 76 0.801 -19.033 -3.975 1.00 35.12 N ATOM 1116 CD2 HIS A 76 -0.676 -17.700 -3.116 1.00 42.13 C ATOM 1117 CE1 HIS A 76 -0.012 -18.665 -4.946 1.00 74.42 C ATOM 1118 NE2 HIS A 76 -0.914 -17.855 -4.441 1.00 4.22 N ATOM 0 H HIS A 76 2.252 -18.306 0.784 1.00 53.15 H new ATOM 0 HA HIS A 76 3.056 -17.967 -2.024 1.00 21.44 H new ATOM 0 HB2 HIS A 76 1.380 -19.674 -1.394 1.00 64.00 H new ATOM 0 HB3 HIS A 76 0.375 -18.422 -0.690 1.00 64.00 H new ATOM 0 HD2 HIS A 76 -1.251 -17.093 -2.432 1.00 42.13 H new ATOM 0 HE1 HIS A 76 0.053 -18.976 -5.978 1.00 74.42 H new ATOM 0 HE2 HIS A 76 -1.672 -17.414 -4.962 1.00 4.22 H new ATOM 1127 N PRO A 77 2.114 -15.642 -2.327 1.00 72.42 N ATOM 1128 CA PRO A 77 1.702 -14.243 -2.484 1.00 41.12 C ATOM 1129 C PRO A 77 0.184 -14.115 -2.354 1.00 52.02 C ATOM 1130 O PRO A 77 -0.557 -14.690 -3.144 1.00 5.55 O ATOM 1131 CB PRO A 77 2.078 -13.997 -3.967 1.00 25.13 C ATOM 1132 CG PRO A 77 2.017 -15.359 -4.547 1.00 44.54 C ATOM 1133 CD PRO A 77 2.690 -16.173 -3.554 1.00 2.14 C ATOM 0 HA PRO A 77 2.149 -13.566 -1.756 1.00 41.12 H new ATOM 0 HB2 PRO A 77 1.379 -13.317 -4.455 1.00 25.13 H new ATOM 0 HB3 PRO A 77 3.071 -13.559 -4.066 1.00 25.13 H new ATOM 0 HG2 PRO A 77 0.988 -15.684 -4.704 1.00 44.54 H new ATOM 0 HG3 PRO A 77 2.518 -15.408 -5.514 1.00 44.54 H new ATOM 0 HD2 PRO A 77 2.482 -17.235 -3.682 1.00 2.14 H new ATOM 0 HD3 PRO A 77 3.773 -16.054 -3.587 1.00 2.14 H new ATOM 1141 N LYS A 78 -0.283 -13.414 -1.374 1.00 12.20 N ATOM 1142 CA LYS A 78 -1.688 -13.174 -1.267 1.00 32.33 C ATOM 1143 C LYS A 78 -1.892 -11.696 -1.243 1.00 33.03 C ATOM 1144 O LYS A 78 -0.986 -10.937 -1.588 1.00 53.32 O ATOM 1145 CB LYS A 78 -2.241 -13.746 0.033 1.00 73.10 C ATOM 1146 CG LYS A 78 -1.774 -15.139 0.380 1.00 33.53 C ATOM 1147 CD LYS A 78 -2.677 -15.793 1.422 1.00 71.13 C ATOM 1148 CE LYS A 78 -2.994 -14.899 2.633 1.00 73.02 C ATOM 1149 NZ LYS A 78 -1.803 -14.440 3.371 1.00 34.15 N ATOM 0 H LYS A 78 0.285 -12.997 -0.636 1.00 12.20 H new ATOM 0 HA LYS A 78 -2.199 -13.647 -2.106 1.00 32.33 H new ATOM 0 HB2 LYS A 78 -1.969 -13.077 0.849 1.00 73.10 H new ATOM 0 HB3 LYS A 78 -3.329 -13.751 -0.026 1.00 73.10 H new ATOM 0 HG2 LYS A 78 -1.755 -15.752 -0.521 1.00 33.53 H new ATOM 0 HG3 LYS A 78 -0.753 -15.097 0.758 1.00 33.53 H new ATOM 0 HD2 LYS A 78 -3.613 -16.083 0.944 1.00 71.13 H new ATOM 0 HD3 LYS A 78 -2.202 -16.708 1.775 1.00 71.13 H new ATOM 0 HE2 LYS A 78 -3.554 -14.029 2.292 1.00 73.02 H new ATOM 0 HE3 LYS A 78 -3.642 -15.448 3.316 1.00 73.02 H new ATOM 0 HZ1 LYS A 78 -2.090 -14.082 4.304 1.00 34.15 H new ATOM 0 HZ2 LYS A 78 -1.143 -15.234 3.493 1.00 34.15 H new ATOM 0 HZ3 LYS A 78 -1.336 -13.680 2.837 1.00 34.15 H new ATOM 1163 N GLY A 79 -3.045 -11.277 -0.803 1.00 4.53 N ATOM 1164 CA GLY A 79 -3.307 -9.907 -0.750 1.00 30.34 C ATOM 1165 C GLY A 79 -4.718 -9.585 -0.399 1.00 23.11 C ATOM 1166 O GLY A 79 -5.635 -10.412 -0.551 1.00 44.43 O ATOM 0 H GLY A 79 -3.803 -11.880 -0.482 1.00 4.53 H new ATOM 0 HA2 GLY A 79 -2.645 -9.447 -0.017 1.00 30.34 H new ATOM 0 HA3 GLY A 79 -3.071 -9.462 -1.717 1.00 30.34 H new ATOM 1170 N TYR A 80 -4.874 -8.393 0.062 1.00 72.31 N ATOM 1171 CA TYR A 80 -6.123 -7.804 0.401 1.00 21.45 C ATOM 1172 C TYR A 80 -6.035 -6.316 0.223 1.00 55.15 C ATOM 1173 O TYR A 80 -4.967 -5.731 0.381 1.00 21.24 O ATOM 1174 CB TYR A 80 -6.691 -8.270 1.775 1.00 73.11 C ATOM 1175 CG TYR A 80 -5.731 -8.320 2.955 1.00 72.31 C ATOM 1176 CD1 TYR A 80 -4.869 -9.400 3.108 1.00 62.21 C ATOM 1177 CD2 TYR A 80 -5.723 -7.334 3.934 1.00 24.14 C ATOM 1178 CE1 TYR A 80 -4.033 -9.500 4.186 1.00 73.21 C ATOM 1179 CE2 TYR A 80 -4.872 -7.428 5.022 1.00 4.43 C ATOM 1180 CZ TYR A 80 -4.035 -8.516 5.139 1.00 62.31 C ATOM 1181 OH TYR A 80 -3.202 -8.629 6.218 1.00 3.11 O ATOM 0 H TYR A 80 -4.086 -7.766 0.222 1.00 72.31 H new ATOM 0 HA TYR A 80 -6.879 -8.171 -0.293 1.00 21.45 H new ATOM 0 HB2 TYR A 80 -7.515 -7.607 2.040 1.00 73.11 H new ATOM 0 HB3 TYR A 80 -7.113 -9.266 1.643 1.00 73.11 H new ATOM 0 HD1 TYR A 80 -4.859 -10.178 2.359 1.00 62.21 H new ATOM 0 HD2 TYR A 80 -6.387 -6.487 3.845 1.00 24.14 H new ATOM 0 HE1 TYR A 80 -3.375 -10.350 4.285 1.00 73.21 H new ATOM 0 HE2 TYR A 80 -4.864 -6.653 5.774 1.00 4.43 H new ATOM 0 HH TYR A 80 -3.712 -8.483 7.042 1.00 3.11 H new ATOM 1191 N ALA A 81 -7.114 -5.714 -0.141 1.00 71.43 N ATOM 1192 CA ALA A 81 -7.119 -4.332 -0.507 1.00 52.14 C ATOM 1193 C ALA A 81 -8.297 -3.632 0.112 1.00 73.43 C ATOM 1194 O ALA A 81 -9.304 -4.228 0.371 1.00 12.45 O ATOM 1195 CB ALA A 81 -7.193 -4.232 -2.020 1.00 5.15 C ATOM 0 H ALA A 81 -8.027 -6.166 -0.195 1.00 71.43 H new ATOM 0 HA ALA A 81 -6.209 -3.854 -0.146 1.00 52.14 H new ATOM 0 HB1 ALA A 81 -7.198 -3.183 -2.315 1.00 5.15 H new ATOM 0 HB2 ALA A 81 -6.329 -4.729 -2.460 1.00 5.15 H new ATOM 0 HB3 ALA A 81 -8.106 -4.712 -2.372 1.00 5.15 H new ATOM 1201 N TYR A 82 -8.131 -2.389 0.369 1.00 33.41 N ATOM 1202 CA TYR A 82 -9.161 -1.544 0.889 1.00 60.01 C ATOM 1203 C TYR A 82 -9.453 -0.433 -0.067 1.00 41.45 C ATOM 1204 O TYR A 82 -8.562 0.327 -0.434 1.00 75.23 O ATOM 1205 CB TYR A 82 -8.770 -1.004 2.252 1.00 25.41 C ATOM 1206 CG TYR A 82 -8.959 -1.992 3.365 1.00 53.33 C ATOM 1207 CD1 TYR A 82 -8.067 -3.028 3.592 1.00 73.02 C ATOM 1208 CD2 TYR A 82 -10.050 -1.886 4.185 1.00 64.22 C ATOM 1209 CE1 TYR A 82 -8.278 -3.922 4.628 1.00 70.32 C ATOM 1210 CE2 TYR A 82 -10.266 -2.766 5.210 1.00 61.22 C ATOM 1211 CZ TYR A 82 -9.387 -3.773 5.434 1.00 54.03 C ATOM 1212 OH TYR A 82 -9.623 -4.650 6.452 1.00 21.30 O ATOM 0 H TYR A 82 -7.245 -1.906 0.221 1.00 33.41 H new ATOM 0 HA TYR A 82 -10.069 -2.134 1.011 1.00 60.01 H new ATOM 0 HB2 TYR A 82 -7.725 -0.695 2.225 1.00 25.41 H new ATOM 0 HB3 TYR A 82 -9.361 -0.113 2.464 1.00 25.41 H new ATOM 0 HD1 TYR A 82 -7.201 -3.139 2.956 1.00 73.02 H new ATOM 0 HD2 TYR A 82 -10.758 -1.088 4.019 1.00 64.22 H new ATOM 0 HE1 TYR A 82 -7.581 -4.728 4.803 1.00 70.32 H new ATOM 0 HE2 TYR A 82 -11.136 -2.658 5.840 1.00 61.22 H new ATOM 0 HH TYR A 82 -10.447 -4.396 6.918 1.00 21.30 H new ATOM 1222 N ILE A 83 -10.681 -0.350 -0.495 1.00 41.21 N ATOM 1223 CA ILE A 83 -11.088 0.653 -1.443 1.00 11.32 C ATOM 1224 C ILE A 83 -11.894 1.707 -0.687 1.00 12.32 C ATOM 1225 O ILE A 83 -12.812 1.357 0.057 1.00 24.24 O ATOM 1226 CB ILE A 83 -12.014 0.024 -2.531 1.00 31.32 C ATOM 1227 CG1 ILE A 83 -11.414 -1.287 -3.104 1.00 53.25 C ATOM 1228 CG2 ILE A 83 -12.274 1.017 -3.653 1.00 60.20 C ATOM 1229 CD1 ILE A 83 -10.071 -1.153 -3.791 1.00 34.45 C ATOM 0 H ILE A 83 -11.430 -0.975 -0.197 1.00 41.21 H new ATOM 0 HA ILE A 83 -10.209 1.083 -1.922 1.00 11.32 H new ATOM 0 HB ILE A 83 -12.961 -0.223 -2.051 1.00 31.32 H new ATOM 0 HG12 ILE A 83 -11.314 -2.005 -2.290 1.00 53.25 H new ATOM 0 HG13 ILE A 83 -12.124 -1.709 -3.815 1.00 53.25 H new ATOM 0 HG21 ILE A 83 -12.921 0.559 -4.401 1.00 60.20 H new ATOM 0 HG22 ILE A 83 -12.759 1.905 -3.248 1.00 60.20 H new ATOM 0 HG23 ILE A 83 -11.328 1.299 -4.115 1.00 60.20 H new ATOM 0 HD11 ILE A 83 -9.748 -2.129 -4.152 1.00 34.45 H new ATOM 0 HD12 ILE A 83 -10.160 -0.466 -4.633 1.00 34.45 H new ATOM 0 HD13 ILE A 83 -9.337 -0.767 -3.083 1.00 34.45 H new ATOM 1241 N GLU A 84 -11.539 2.966 -0.823 1.00 41.23 N ATOM 1242 CA GLU A 84 -12.283 4.020 -0.161 1.00 0.32 C ATOM 1243 C GLU A 84 -13.040 4.845 -1.204 1.00 34.21 C ATOM 1244 O GLU A 84 -12.429 5.451 -2.099 1.00 43.33 O ATOM 1245 CB GLU A 84 -11.326 4.907 0.658 1.00 54.24 C ATOM 1246 CG GLU A 84 -10.432 4.102 1.603 1.00 40.41 C ATOM 1247 CD GLU A 84 -9.601 4.946 2.540 1.00 1.44 C ATOM 1248 OE1 GLU A 84 -8.614 5.546 2.101 1.00 60.24 O ATOM 1249 OE2 GLU A 84 -9.945 5.000 3.741 1.00 64.31 O ATOM 0 H GLU A 84 -10.747 3.285 -1.381 1.00 41.23 H new ATOM 0 HA GLU A 84 -13.007 3.581 0.525 1.00 0.32 H new ATOM 0 HB2 GLU A 84 -10.700 5.484 -0.023 1.00 54.24 H new ATOM 0 HB3 GLU A 84 -11.909 5.622 1.238 1.00 54.24 H new ATOM 0 HG2 GLU A 84 -11.057 3.432 2.194 1.00 40.41 H new ATOM 0 HG3 GLU A 84 -9.766 3.476 1.009 1.00 40.41 H new ATOM 1256 N PHE A 85 -14.354 4.868 -1.095 1.00 53.30 N ATOM 1257 CA PHE A 85 -15.194 5.565 -2.055 1.00 4.03 C ATOM 1258 C PHE A 85 -15.539 6.951 -1.600 1.00 21.50 C ATOM 1259 O PHE A 85 -15.387 7.301 -0.432 1.00 31.01 O ATOM 1260 CB PHE A 85 -16.490 4.809 -2.321 1.00 2.02 C ATOM 1261 CG PHE A 85 -16.315 3.474 -2.951 1.00 14.22 C ATOM 1262 CD1 PHE A 85 -16.231 3.356 -4.325 1.00 32.40 C ATOM 1263 CD2 PHE A 85 -16.247 2.335 -2.179 1.00 62.35 C ATOM 1264 CE1 PHE A 85 -16.081 2.126 -4.911 1.00 20.05 C ATOM 1265 CE2 PHE A 85 -16.097 1.106 -2.760 1.00 52.33 C ATOM 1266 CZ PHE A 85 -16.016 0.999 -4.127 1.00 12.14 C ATOM 0 H PHE A 85 -14.869 4.408 -0.344 1.00 53.30 H new ATOM 0 HA PHE A 85 -14.609 5.624 -2.973 1.00 4.03 H new ATOM 0 HB2 PHE A 85 -17.021 4.683 -1.377 1.00 2.02 H new ATOM 0 HB3 PHE A 85 -17.124 5.419 -2.965 1.00 2.02 H new ATOM 0 HD1 PHE A 85 -16.284 4.240 -4.943 1.00 32.40 H new ATOM 0 HD2 PHE A 85 -16.313 2.413 -1.104 1.00 62.35 H new ATOM 0 HE1 PHE A 85 -16.014 2.043 -5.986 1.00 20.05 H new ATOM 0 HE2 PHE A 85 -16.042 0.220 -2.144 1.00 52.33 H new ATOM 0 HZ PHE A 85 -15.901 0.028 -4.586 1.00 12.14 H new ATOM 1276 N ALA A 86 -15.977 7.745 -2.539 1.00 1.31 N ATOM 1277 CA ALA A 86 -16.430 9.077 -2.265 1.00 50.21 C ATOM 1278 C ALA A 86 -17.842 9.094 -1.731 1.00 1.22 C ATOM 1279 O ALA A 86 -18.217 9.998 -1.004 1.00 70.21 O ATOM 1280 CB ALA A 86 -16.323 9.936 -3.510 1.00 12.13 C ATOM 0 H ALA A 86 -16.029 7.481 -3.523 1.00 1.31 H new ATOM 0 HA ALA A 86 -15.784 9.491 -1.490 1.00 50.21 H new ATOM 0 HB1 ALA A 86 -16.670 10.945 -3.287 1.00 12.13 H new ATOM 0 HB2 ALA A 86 -15.284 9.974 -3.838 1.00 12.13 H new ATOM 0 HB3 ALA A 86 -16.937 9.507 -4.302 1.00 12.13 H new ATOM 1286 N GLU A 87 -18.637 8.125 -2.098 1.00 2.02 N ATOM 1287 CA GLU A 87 -19.999 8.114 -1.642 1.00 0.20 C ATOM 1288 C GLU A 87 -20.343 6.821 -0.885 1.00 35.02 C ATOM 1289 O GLU A 87 -19.781 5.756 -1.157 1.00 4.33 O ATOM 1290 CB GLU A 87 -20.926 8.316 -2.839 1.00 3.35 C ATOM 1291 CG GLU A 87 -21.968 9.399 -2.630 1.00 13.14 C ATOM 1292 CD GLU A 87 -22.888 9.085 -1.501 1.00 74.24 C ATOM 1293 OE1 GLU A 87 -22.536 9.364 -0.334 1.00 20.20 O ATOM 1294 OE2 GLU A 87 -23.943 8.522 -1.756 1.00 62.44 O ATOM 0 H GLU A 87 -18.371 7.346 -2.701 1.00 2.02 H new ATOM 0 HA GLU A 87 -20.136 8.931 -0.933 1.00 0.20 H new ATOM 0 HB2 GLU A 87 -20.326 8.566 -3.714 1.00 3.35 H new ATOM 0 HB3 GLU A 87 -21.432 7.376 -3.058 1.00 3.35 H new ATOM 0 HG2 GLU A 87 -21.469 10.348 -2.436 1.00 13.14 H new ATOM 0 HG3 GLU A 87 -22.548 9.524 -3.545 1.00 13.14 H new ATOM 1301 N ARG A 88 -21.271 6.932 0.062 1.00 61.11 N ATOM 1302 CA ARG A 88 -21.753 5.796 0.852 1.00 13.11 C ATOM 1303 C ARG A 88 -22.554 4.865 -0.027 1.00 70.41 C ATOM 1304 O ARG A 88 -22.548 3.664 0.159 1.00 20.25 O ATOM 1305 CB ARG A 88 -22.640 6.276 1.986 1.00 31.20 C ATOM 1306 CG ARG A 88 -21.949 7.043 3.086 1.00 45.51 C ATOM 1307 CD ARG A 88 -21.274 6.147 4.097 1.00 4.13 C ATOM 1308 NE ARG A 88 -22.175 5.114 4.654 1.00 23.53 N ATOM 1309 CZ ARG A 88 -22.323 4.843 5.964 1.00 70.44 C ATOM 1310 NH1 ARG A 88 -21.831 5.674 6.883 1.00 53.12 N ATOM 1311 NH2 ARG A 88 -23.012 3.778 6.345 1.00 3.20 N ATOM 0 H ARG A 88 -21.714 7.817 0.306 1.00 61.11 H new ATOM 0 HA ARG A 88 -20.889 5.274 1.263 1.00 13.11 H new ATOM 0 HB2 ARG A 88 -23.423 6.908 1.566 1.00 31.20 H new ATOM 0 HB3 ARG A 88 -23.132 5.410 2.428 1.00 31.20 H new ATOM 0 HG2 ARG A 88 -21.206 7.709 2.646 1.00 45.51 H new ATOM 0 HG3 ARG A 88 -22.678 7.672 3.596 1.00 45.51 H new ATOM 0 HD2 ARG A 88 -20.419 5.660 3.628 1.00 4.13 H new ATOM 0 HD3 ARG A 88 -20.885 6.758 4.912 1.00 4.13 H new ATOM 0 HE ARG A 88 -22.726 4.565 3.994 1.00 23.53 H new ATOM 0 HH11 ARG A 88 -21.340 6.520 6.595 1.00 53.12 H new ATOM 0 HH12 ARG A 88 -21.946 5.464 7.874 1.00 53.12 H new ATOM 0 HH21 ARG A 88 -23.430 3.164 5.646 1.00 3.20 H new ATOM 0 HH22 ARG A 88 -23.125 3.572 7.338 1.00 3.20 H new ATOM 1325 N ASN A 89 -23.234 5.418 -0.997 1.00 1.13 N ATOM 1326 CA ASN A 89 -23.976 4.581 -1.912 1.00 31.41 C ATOM 1327 C ASN A 89 -23.042 3.744 -2.750 1.00 42.21 C ATOM 1328 O ASN A 89 -23.393 2.627 -3.142 1.00 54.53 O ATOM 1329 CB ASN A 89 -24.952 5.340 -2.804 1.00 31.13 C ATOM 1330 CG ASN A 89 -26.182 5.879 -2.078 1.00 1.52 C ATOM 1331 OD1 ASN A 89 -27.177 5.167 -1.911 1.00 75.11 O ATOM 1332 ND2 ASN A 89 -26.163 7.123 -1.704 1.00 43.55 N ATOM 0 H ASN A 89 -23.292 6.421 -1.175 1.00 1.13 H new ATOM 0 HA ASN A 89 -24.587 3.934 -1.283 1.00 31.41 H new ATOM 0 HB2 ASN A 89 -24.426 6.173 -3.270 1.00 31.13 H new ATOM 0 HB3 ASN A 89 -25.280 4.680 -3.607 1.00 31.13 H new ATOM 0 HD21 ASN A 89 -26.984 7.535 -1.260 1.00 43.55 H new ATOM 0 HD22 ASN A 89 -25.327 7.688 -1.854 1.00 43.55 H new ATOM 1339 N SER A 90 -21.830 4.244 -2.999 1.00 41.32 N ATOM 1340 CA SER A 90 -20.866 3.517 -3.766 1.00 53.31 C ATOM 1341 C SER A 90 -20.365 2.315 -2.964 1.00 24.03 C ATOM 1342 O SER A 90 -20.190 1.222 -3.509 1.00 74.23 O ATOM 1343 CB SER A 90 -19.696 4.441 -4.093 1.00 22.55 C ATOM 1344 OG SER A 90 -20.146 5.644 -4.700 1.00 20.14 O ATOM 0 H SER A 90 -21.510 5.155 -2.671 1.00 41.32 H new ATOM 0 HA SER A 90 -21.324 3.160 -4.688 1.00 53.31 H new ATOM 0 HB2 SER A 90 -19.147 4.674 -3.181 1.00 22.55 H new ATOM 0 HB3 SER A 90 -19.002 3.931 -4.761 1.00 22.55 H new ATOM 0 HG SER A 90 -19.377 6.218 -4.898 1.00 20.14 H new ATOM 1350 N VAL A 91 -20.166 2.512 -1.649 1.00 23.54 N ATOM 1351 CA VAL A 91 -19.684 1.434 -0.808 1.00 61.34 C ATOM 1352 C VAL A 91 -20.744 0.329 -0.728 1.00 71.31 C ATOM 1353 O VAL A 91 -20.417 -0.859 -0.792 1.00 21.44 O ATOM 1354 CB VAL A 91 -19.204 1.899 0.632 1.00 21.21 C ATOM 1355 CG1 VAL A 91 -20.311 2.368 1.512 1.00 22.22 C ATOM 1356 CG2 VAL A 91 -18.424 0.832 1.329 1.00 71.43 C ATOM 0 H VAL A 91 -20.331 3.394 -1.165 1.00 23.54 H new ATOM 0 HA VAL A 91 -18.784 1.040 -1.281 1.00 61.34 H new ATOM 0 HB VAL A 91 -18.556 2.756 0.446 1.00 21.21 H new ATOM 0 HG11 VAL A 91 -19.905 2.669 2.478 1.00 22.22 H new ATOM 0 HG12 VAL A 91 -20.810 3.218 1.047 1.00 22.22 H new ATOM 0 HG13 VAL A 91 -21.029 1.560 1.656 1.00 22.22 H new ATOM 0 HG21 VAL A 91 -18.114 1.190 2.311 1.00 71.43 H new ATOM 0 HG22 VAL A 91 -19.046 -0.056 1.446 1.00 71.43 H new ATOM 0 HG23 VAL A 91 -17.542 0.582 0.739 1.00 71.43 H new ATOM 1366 N ASP A 92 -22.033 0.726 -0.652 1.00 61.14 N ATOM 1367 CA ASP A 92 -23.131 -0.253 -0.620 1.00 42.43 C ATOM 1368 C ASP A 92 -23.250 -1.004 -1.930 1.00 22.31 C ATOM 1369 O ASP A 92 -23.684 -2.156 -1.962 1.00 70.43 O ATOM 1370 CB ASP A 92 -24.486 0.352 -0.231 1.00 72.45 C ATOM 1371 CG ASP A 92 -24.583 0.779 1.217 1.00 4.44 C ATOM 1372 OD1 ASP A 92 -24.625 -0.099 2.108 1.00 40.54 O ATOM 1373 OD2 ASP A 92 -24.677 1.987 1.483 1.00 72.21 O ATOM 0 H ASP A 92 -22.331 1.701 -0.612 1.00 61.14 H new ATOM 0 HA ASP A 92 -22.862 -0.956 0.169 1.00 42.43 H new ATOM 0 HB2 ASP A 92 -24.681 1.216 -0.866 1.00 72.45 H new ATOM 0 HB3 ASP A 92 -25.269 -0.378 -0.436 1.00 72.45 H new ATOM 1378 N ALA A 93 -22.882 -0.357 -3.012 1.00 2.13 N ATOM 1379 CA ALA A 93 -22.926 -0.990 -4.315 1.00 24.13 C ATOM 1380 C ALA A 93 -21.784 -1.999 -4.432 1.00 61.21 C ATOM 1381 O ALA A 93 -21.923 -3.047 -5.057 1.00 21.15 O ATOM 1382 CB ALA A 93 -22.851 0.054 -5.417 1.00 64.41 C ATOM 0 H ALA A 93 -22.549 0.607 -3.018 1.00 2.13 H new ATOM 0 HA ALA A 93 -23.872 -1.520 -4.426 1.00 24.13 H new ATOM 0 HB1 ALA A 93 -22.885 -0.439 -6.388 1.00 64.41 H new ATOM 0 HB2 ALA A 93 -23.694 0.739 -5.328 1.00 64.41 H new ATOM 0 HB3 ALA A 93 -21.919 0.612 -5.326 1.00 64.41 H new ATOM 1388 N ALA A 94 -20.669 -1.684 -3.787 1.00 54.43 N ATOM 1389 CA ALA A 94 -19.496 -2.535 -3.814 1.00 64.32 C ATOM 1390 C ALA A 94 -19.696 -3.769 -2.951 1.00 10.32 C ATOM 1391 O ALA A 94 -19.372 -4.875 -3.365 1.00 21.11 O ATOM 1392 CB ALA A 94 -18.268 -1.763 -3.369 1.00 73.41 C ATOM 0 H ALA A 94 -20.556 -0.835 -3.234 1.00 54.43 H new ATOM 0 HA ALA A 94 -19.342 -2.866 -4.841 1.00 64.32 H new ATOM 0 HB1 ALA A 94 -17.397 -2.418 -3.396 1.00 73.41 H new ATOM 0 HB2 ALA A 94 -18.107 -0.918 -4.038 1.00 73.41 H new ATOM 0 HB3 ALA A 94 -18.416 -1.398 -2.353 1.00 73.41 H new ATOM 1398 N VAL A 95 -20.233 -3.572 -1.745 1.00 53.34 N ATOM 1399 CA VAL A 95 -20.510 -4.690 -0.824 1.00 12.44 C ATOM 1400 C VAL A 95 -21.429 -5.740 -1.432 1.00 63.14 C ATOM 1401 O VAL A 95 -21.440 -6.870 -0.989 1.00 43.23 O ATOM 1402 CB VAL A 95 -21.045 -4.270 0.568 1.00 2.13 C ATOM 1403 CG1 VAL A 95 -20.110 -3.308 1.244 1.00 15.34 C ATOM 1404 CG2 VAL A 95 -22.433 -3.691 0.475 1.00 14.53 C ATOM 0 H VAL A 95 -20.486 -2.654 -1.379 1.00 53.34 H new ATOM 0 HA VAL A 95 -19.526 -5.129 -0.662 1.00 12.44 H new ATOM 0 HB VAL A 95 -21.101 -5.171 1.178 1.00 2.13 H new ATOM 0 HG11 VAL A 95 -20.513 -3.032 2.218 1.00 15.34 H new ATOM 0 HG12 VAL A 95 -19.136 -3.779 1.375 1.00 15.34 H new ATOM 0 HG13 VAL A 95 -20.002 -2.414 0.630 1.00 15.34 H new ATOM 0 HG21 VAL A 95 -22.776 -3.407 1.470 1.00 14.53 H new ATOM 0 HG22 VAL A 95 -22.418 -2.811 -0.168 1.00 14.53 H new ATOM 0 HG23 VAL A 95 -23.110 -4.435 0.056 1.00 14.53 H new ATOM 1414 N ALA A 96 -22.202 -5.359 -2.440 1.00 73.14 N ATOM 1415 CA ALA A 96 -23.097 -6.297 -3.111 1.00 72.01 C ATOM 1416 C ALA A 96 -22.297 -7.382 -3.856 1.00 73.42 C ATOM 1417 O ALA A 96 -22.802 -8.462 -4.158 1.00 24.44 O ATOM 1418 CB ALA A 96 -24.044 -5.570 -4.053 1.00 24.23 C ATOM 0 H ALA A 96 -22.229 -4.410 -2.812 1.00 73.14 H new ATOM 0 HA ALA A 96 -23.701 -6.790 -2.349 1.00 72.01 H new ATOM 0 HB1 ALA A 96 -24.699 -6.293 -4.539 1.00 24.23 H new ATOM 0 HB2 ALA A 96 -24.645 -4.859 -3.487 1.00 24.23 H new ATOM 0 HB3 ALA A 96 -23.467 -5.037 -4.809 1.00 24.23 H new ATOM 1424 N MET A 97 -21.038 -7.072 -4.119 1.00 13.51 N ATOM 1425 CA MET A 97 -20.121 -7.983 -4.793 1.00 62.45 C ATOM 1426 C MET A 97 -19.311 -8.758 -3.776 1.00 53.14 C ATOM 1427 O MET A 97 -18.372 -9.440 -4.151 1.00 60.01 O ATOM 1428 CB MET A 97 -19.152 -7.220 -5.725 1.00 74.53 C ATOM 1429 CG MET A 97 -19.806 -6.423 -6.843 1.00 44.11 C ATOM 1430 SD MET A 97 -18.596 -5.659 -7.966 1.00 4.03 S ATOM 1431 CE MET A 97 -17.693 -4.591 -6.849 1.00 63.41 C ATOM 0 H MET A 97 -20.619 -6.176 -3.870 1.00 13.51 H new ATOM 0 HA MET A 97 -20.722 -8.667 -5.392 1.00 62.45 H new ATOM 0 HB2 MET A 97 -18.555 -6.539 -5.119 1.00 74.53 H new ATOM 0 HB3 MET A 97 -18.463 -7.938 -6.170 1.00 74.53 H new ATOM 0 HG2 MET A 97 -20.462 -7.079 -7.415 1.00 44.11 H new ATOM 0 HG3 MET A 97 -20.434 -5.645 -6.409 1.00 44.11 H new ATOM 0 HE1 MET A 97 -17.590 -3.602 -7.295 1.00 63.41 H new ATOM 0 HE2 MET A 97 -18.234 -4.509 -5.906 1.00 63.41 H new ATOM 0 HE3 MET A 97 -16.704 -5.011 -6.664 1.00 63.41 H new ATOM 1441 N ASP A 98 -19.664 -8.621 -2.474 1.00 1.25 N ATOM 1442 CA ASP A 98 -18.960 -9.310 -1.365 1.00 64.12 C ATOM 1443 C ASP A 98 -18.574 -10.724 -1.679 1.00 21.54 C ATOM 1444 O ASP A 98 -17.476 -11.127 -1.367 1.00 74.42 O ATOM 1445 CB ASP A 98 -19.715 -9.253 -0.027 1.00 12.02 C ATOM 1446 CG ASP A 98 -20.923 -10.137 0.074 1.00 33.43 C ATOM 1447 OD1 ASP A 98 -21.931 -9.859 -0.573 1.00 70.40 O ATOM 1448 OD2 ASP A 98 -20.868 -11.117 0.851 1.00 40.12 O ATOM 0 H ASP A 98 -20.439 -8.034 -2.165 1.00 1.25 H new ATOM 0 HA ASP A 98 -18.040 -8.736 -1.252 1.00 64.12 H new ATOM 0 HB2 ASP A 98 -19.023 -9.521 0.772 1.00 12.02 H new ATOM 0 HB3 ASP A 98 -20.025 -8.223 0.151 1.00 12.02 H new ATOM 1453 N GLU A 99 -19.460 -11.487 -2.241 1.00 50.10 N ATOM 1454 CA GLU A 99 -19.101 -12.767 -2.697 1.00 70.35 C ATOM 1455 C GLU A 99 -19.338 -12.819 -4.199 1.00 20.14 C ATOM 1456 O GLU A 99 -20.475 -12.685 -4.669 1.00 41.52 O ATOM 1457 CB GLU A 99 -19.887 -13.836 -1.936 1.00 4.42 C ATOM 1458 CG GLU A 99 -19.475 -15.262 -2.242 1.00 60.14 C ATOM 1459 CD GLU A 99 -20.162 -16.250 -1.336 1.00 2.40 C ATOM 1460 OE1 GLU A 99 -19.627 -16.535 -0.247 1.00 0.55 O ATOM 1461 OE2 GLU A 99 -21.245 -16.745 -1.690 1.00 20.13 O ATOM 0 H GLU A 99 -20.437 -11.232 -2.389 1.00 50.10 H new ATOM 0 HA GLU A 99 -18.047 -12.970 -2.509 1.00 70.35 H new ATOM 0 HB2 GLU A 99 -19.771 -13.660 -0.866 1.00 4.42 H new ATOM 0 HB3 GLU A 99 -20.946 -13.721 -2.165 1.00 4.42 H new ATOM 0 HG2 GLU A 99 -19.713 -15.494 -3.280 1.00 60.14 H new ATOM 0 HG3 GLU A 99 -18.395 -15.359 -2.133 1.00 60.14 H new ATOM 1468 N THR A 100 -18.271 -13.002 -4.920 1.00 23.15 N ATOM 1469 CA THR A 100 -18.288 -13.024 -6.363 1.00 54.45 C ATOM 1470 C THR A 100 -16.938 -13.530 -6.858 1.00 23.14 C ATOM 1471 O THR A 100 -16.047 -13.814 -6.052 1.00 25.44 O ATOM 1472 CB THR A 100 -18.613 -11.610 -6.983 1.00 25.13 C ATOM 1473 OG1 THR A 100 -18.924 -11.747 -8.386 1.00 24.11 O ATOM 1474 CG2 THR A 100 -17.429 -10.649 -6.838 1.00 44.31 C ATOM 0 H THR A 100 -17.344 -13.143 -4.519 1.00 23.15 H new ATOM 0 HA THR A 100 -19.085 -13.692 -6.688 1.00 54.45 H new ATOM 0 HB THR A 100 -19.467 -11.203 -6.441 1.00 25.13 H new ATOM 0 HG1 THR A 100 -19.126 -10.866 -8.764 1.00 24.11 H new ATOM 0 HG21 THR A 100 -17.687 -9.685 -7.276 1.00 44.31 H new ATOM 0 HG22 THR A 100 -17.195 -10.517 -5.782 1.00 44.31 H new ATOM 0 HG23 THR A 100 -16.561 -11.061 -7.353 1.00 44.31 H new ATOM 1482 N VAL A 101 -16.773 -13.611 -8.148 1.00 30.23 N ATOM 1483 CA VAL A 101 -15.578 -14.129 -8.728 1.00 72.25 C ATOM 1484 C VAL A 101 -14.863 -13.040 -9.541 1.00 32.45 C ATOM 1485 O VAL A 101 -15.455 -12.384 -10.401 1.00 50.11 O ATOM 1486 CB VAL A 101 -15.876 -15.394 -9.588 1.00 54.14 C ATOM 1487 CG1 VAL A 101 -16.897 -15.097 -10.661 1.00 60.13 C ATOM 1488 CG2 VAL A 101 -14.612 -15.964 -10.194 1.00 14.12 C ATOM 0 H VAL A 101 -17.473 -13.315 -8.828 1.00 30.23 H new ATOM 0 HA VAL A 101 -14.908 -14.439 -7.926 1.00 72.25 H new ATOM 0 HB VAL A 101 -16.294 -16.148 -8.921 1.00 54.14 H new ATOM 0 HG11 VAL A 101 -17.084 -15.998 -11.245 1.00 60.13 H new ATOM 0 HG12 VAL A 101 -17.826 -14.765 -10.197 1.00 60.13 H new ATOM 0 HG13 VAL A 101 -16.518 -14.313 -11.316 1.00 60.13 H new ATOM 0 HG21 VAL A 101 -14.858 -16.845 -10.787 1.00 14.12 H new ATOM 0 HG22 VAL A 101 -14.145 -15.215 -10.834 1.00 14.12 H new ATOM 0 HG23 VAL A 101 -13.921 -16.243 -9.399 1.00 14.12 H new ATOM 1498 N PHE A 102 -13.618 -12.832 -9.222 1.00 35.24 N ATOM 1499 CA PHE A 102 -12.795 -11.873 -9.883 1.00 45.33 C ATOM 1500 C PHE A 102 -11.494 -12.547 -10.267 1.00 64.33 C ATOM 1501 O PHE A 102 -10.868 -13.202 -9.436 1.00 63.21 O ATOM 1502 CB PHE A 102 -12.547 -10.680 -8.953 1.00 31.31 C ATOM 1503 CG PHE A 102 -11.739 -9.566 -9.556 1.00 65.15 C ATOM 1504 CD1 PHE A 102 -12.320 -8.679 -10.443 1.00 21.25 C ATOM 1505 CD2 PHE A 102 -10.405 -9.405 -9.231 1.00 41.13 C ATOM 1506 CE1 PHE A 102 -11.585 -7.652 -10.995 1.00 4.20 C ATOM 1507 CE2 PHE A 102 -9.669 -8.379 -9.781 1.00 73.44 C ATOM 1508 CZ PHE A 102 -10.261 -7.501 -10.664 1.00 64.31 C ATOM 0 H PHE A 102 -13.140 -13.339 -8.477 1.00 35.24 H new ATOM 0 HA PHE A 102 -13.284 -11.499 -10.783 1.00 45.33 H new ATOM 0 HB2 PHE A 102 -13.510 -10.280 -8.634 1.00 31.31 H new ATOM 0 HB3 PHE A 102 -12.037 -11.036 -8.058 1.00 31.31 H new ATOM 0 HD1 PHE A 102 -13.361 -8.792 -10.706 1.00 21.25 H new ATOM 0 HD2 PHE A 102 -9.936 -10.090 -8.540 1.00 41.13 H new ATOM 0 HE1 PHE A 102 -12.050 -6.966 -11.688 1.00 4.20 H new ATOM 0 HE2 PHE A 102 -8.627 -8.262 -9.520 1.00 73.44 H new ATOM 0 HZ PHE A 102 -9.684 -6.696 -11.095 1.00 64.31 H new ATOM 1518 N ARG A 103 -11.114 -12.415 -11.528 1.00 21.04 N ATOM 1519 CA ARG A 103 -9.914 -13.035 -12.112 1.00 11.14 C ATOM 1520 C ARG A 103 -9.923 -14.571 -11.871 1.00 4.43 C ATOM 1521 O ARG A 103 -8.882 -15.222 -11.739 1.00 72.44 O ATOM 1522 CB ARG A 103 -8.643 -12.392 -11.540 1.00 22.44 C ATOM 1523 CG ARG A 103 -7.421 -12.665 -12.389 1.00 4.10 C ATOM 1524 CD ARG A 103 -6.162 -12.113 -11.784 1.00 40.51 C ATOM 1525 NE ARG A 103 -5.038 -12.262 -12.705 1.00 73.43 N ATOM 1526 CZ ARG A 103 -4.119 -13.232 -12.653 1.00 73.01 C ATOM 1527 NH1 ARG A 103 -4.233 -14.218 -11.773 1.00 0.03 N ATOM 1528 NH2 ARG A 103 -3.107 -13.224 -13.508 1.00 40.12 N ATOM 0 H ARG A 103 -11.641 -11.859 -12.201 1.00 21.04 H new ATOM 0 HA ARG A 103 -9.922 -12.863 -13.188 1.00 11.14 H new ATOM 0 HB2 ARG A 103 -8.790 -11.315 -11.457 1.00 22.44 H new ATOM 0 HB3 ARG A 103 -8.472 -12.769 -10.532 1.00 22.44 H new ATOM 0 HG2 ARG A 103 -7.312 -13.741 -12.527 1.00 4.10 H new ATOM 0 HG3 ARG A 103 -7.566 -12.230 -13.378 1.00 4.10 H new ATOM 0 HD2 ARG A 103 -6.301 -11.060 -11.540 1.00 40.51 H new ATOM 0 HD3 ARG A 103 -5.944 -12.631 -10.850 1.00 40.51 H new ATOM 0 HE ARG A 103 -4.947 -11.570 -13.448 1.00 73.43 H new ATOM 0 HH11 ARG A 103 -5.025 -14.239 -11.131 1.00 0.03 H new ATOM 0 HH12 ARG A 103 -3.529 -14.955 -11.739 1.00 0.03 H new ATOM 0 HH21 ARG A 103 -3.031 -12.480 -14.202 1.00 40.12 H new ATOM 0 HH22 ARG A 103 -2.403 -13.962 -13.472 1.00 40.12 H new ATOM 1542 N GLY A 104 -11.114 -15.119 -11.865 1.00 74.53 N ATOM 1543 CA GLY A 104 -11.300 -16.544 -11.709 1.00 64.44 C ATOM 1544 C GLY A 104 -11.327 -17.017 -10.260 1.00 1.51 C ATOM 1545 O GLY A 104 -11.528 -18.212 -9.998 1.00 12.43 O ATOM 0 H GLY A 104 -11.981 -14.592 -11.968 1.00 74.53 H new ATOM 0 HA2 GLY A 104 -12.235 -16.832 -12.191 1.00 64.44 H new ATOM 0 HA3 GLY A 104 -10.498 -17.063 -12.234 1.00 64.44 H new ATOM 1549 N ARG A 105 -11.146 -16.113 -9.320 1.00 52.23 N ATOM 1550 CA ARG A 105 -11.142 -16.475 -7.910 1.00 64.12 C ATOM 1551 C ARG A 105 -12.201 -15.705 -7.139 1.00 34.21 C ATOM 1552 O ARG A 105 -12.577 -14.611 -7.523 1.00 34.03 O ATOM 1553 CB ARG A 105 -9.751 -16.272 -7.299 1.00 64.22 C ATOM 1554 CG ARG A 105 -9.189 -14.858 -7.395 1.00 43.35 C ATOM 1555 CD ARG A 105 -7.795 -14.795 -6.795 1.00 34.12 C ATOM 1556 NE ARG A 105 -6.864 -15.689 -7.496 1.00 22.44 N ATOM 1557 CZ ARG A 105 -6.093 -16.615 -6.907 1.00 60.32 C ATOM 1558 NH1 ARG A 105 -6.179 -16.832 -5.596 1.00 52.45 N ATOM 1559 NH2 ARG A 105 -5.242 -17.317 -7.638 1.00 31.21 N ATOM 0 H ARG A 105 -10.999 -15.120 -9.503 1.00 52.23 H new ATOM 0 HA ARG A 105 -11.390 -17.534 -7.835 1.00 64.12 H new ATOM 0 HB2 ARG A 105 -9.790 -16.557 -6.248 1.00 64.22 H new ATOM 0 HB3 ARG A 105 -9.056 -16.954 -7.789 1.00 64.22 H new ATOM 0 HG2 ARG A 105 -9.156 -14.544 -8.438 1.00 43.35 H new ATOM 0 HG3 ARG A 105 -9.847 -14.163 -6.873 1.00 43.35 H new ATOM 0 HD2 ARG A 105 -7.423 -13.771 -6.843 1.00 34.12 H new ATOM 0 HD3 ARG A 105 -7.839 -15.069 -5.741 1.00 34.12 H new ATOM 0 HE ARG A 105 -6.799 -15.599 -8.510 1.00 22.44 H new ATOM 0 HH11 ARG A 105 -6.835 -16.292 -5.032 1.00 52.45 H new ATOM 0 HH12 ARG A 105 -5.589 -17.538 -5.156 1.00 52.45 H new ATOM 0 HH21 ARG A 105 -5.176 -17.152 -8.642 1.00 31.21 H new ATOM 0 HH22 ARG A 105 -4.652 -18.023 -7.197 1.00 31.21 H new ATOM 1573 N THR A 106 -12.685 -16.278 -6.069 1.00 61.33 N ATOM 1574 CA THR A 106 -13.710 -15.639 -5.281 1.00 43.22 C ATOM 1575 C THR A 106 -13.089 -14.623 -4.332 1.00 15.43 C ATOM 1576 O THR A 106 -12.216 -14.962 -3.535 1.00 34.02 O ATOM 1577 CB THR A 106 -14.494 -16.692 -4.475 1.00 45.14 C ATOM 1578 OG1 THR A 106 -14.961 -17.710 -5.380 1.00 71.03 O ATOM 1579 CG2 THR A 106 -15.700 -16.061 -3.762 1.00 63.32 C ATOM 0 H THR A 106 -12.386 -17.189 -5.721 1.00 61.33 H new ATOM 0 HA THR A 106 -14.394 -15.123 -5.955 1.00 43.22 H new ATOM 0 HB THR A 106 -13.834 -17.118 -3.719 1.00 45.14 H new ATOM 0 HG1 THR A 106 -15.461 -18.388 -4.880 1.00 71.03 H new ATOM 0 HG21 THR A 106 -16.234 -16.828 -3.201 1.00 63.32 H new ATOM 0 HG22 THR A 106 -15.354 -15.287 -3.078 1.00 63.32 H new ATOM 0 HG23 THR A 106 -16.369 -15.620 -4.501 1.00 63.32 H new ATOM 1587 N ILE A 107 -13.491 -13.386 -4.463 1.00 21.13 N ATOM 1588 CA ILE A 107 -13.022 -12.348 -3.558 1.00 21.11 C ATOM 1589 C ILE A 107 -14.097 -12.007 -2.536 1.00 1.43 C ATOM 1590 O ILE A 107 -15.227 -12.510 -2.625 1.00 13.10 O ATOM 1591 CB ILE A 107 -12.592 -11.051 -4.307 1.00 43.02 C ATOM 1592 CG1 ILE A 107 -13.785 -10.411 -5.049 1.00 10.50 C ATOM 1593 CG2 ILE A 107 -11.445 -11.353 -5.272 1.00 24.14 C ATOM 1594 CD1 ILE A 107 -13.461 -9.091 -5.730 1.00 23.32 C ATOM 0 H ILE A 107 -14.139 -13.065 -5.182 1.00 21.13 H new ATOM 0 HA ILE A 107 -12.142 -12.749 -3.054 1.00 21.11 H new ATOM 0 HB ILE A 107 -12.242 -10.330 -3.568 1.00 43.02 H new ATOM 0 HG12 ILE A 107 -14.151 -11.113 -5.798 1.00 10.50 H new ATOM 0 HG13 ILE A 107 -14.596 -10.251 -4.339 1.00 10.50 H new ATOM 0 HG21 ILE A 107 -11.154 -10.439 -5.789 1.00 24.14 H new ATOM 0 HG22 ILE A 107 -10.593 -11.741 -4.714 1.00 24.14 H new ATOM 0 HG23 ILE A 107 -11.769 -12.095 -6.002 1.00 24.14 H new ATOM 0 HD11 ILE A 107 -14.353 -8.710 -6.227 1.00 23.32 H new ATOM 0 HD12 ILE A 107 -13.125 -8.370 -4.985 1.00 23.32 H new ATOM 0 HD13 ILE A 107 -12.673 -9.246 -6.467 1.00 23.32 H new ATOM 1606 N LYS A 108 -13.739 -11.195 -1.558 1.00 64.42 N ATOM 1607 CA LYS A 108 -14.664 -10.789 -0.506 1.00 34.01 C ATOM 1608 C LYS A 108 -14.635 -9.282 -0.371 1.00 1.41 C ATOM 1609 O LYS A 108 -13.571 -8.701 -0.349 1.00 41.12 O ATOM 1610 CB LYS A 108 -14.267 -11.431 0.834 1.00 14.31 C ATOM 1611 CG LYS A 108 -15.208 -11.111 2.000 1.00 63.00 C ATOM 1612 CD LYS A 108 -16.615 -11.642 1.748 1.00 42.44 C ATOM 1613 CE LYS A 108 -17.544 -11.344 2.911 1.00 33.44 C ATOM 1614 NZ LYS A 108 -18.904 -11.912 2.697 1.00 5.14 N ATOM 0 H LYS A 108 -12.804 -10.798 -1.467 1.00 64.42 H new ATOM 0 HA LYS A 108 -15.669 -11.120 -0.770 1.00 34.01 H new ATOM 0 HB2 LYS A 108 -14.225 -12.513 0.705 1.00 14.31 H new ATOM 0 HB3 LYS A 108 -13.261 -11.102 1.095 1.00 14.31 H new ATOM 0 HG2 LYS A 108 -14.813 -11.547 2.917 1.00 63.00 H new ATOM 0 HG3 LYS A 108 -15.247 -10.032 2.151 1.00 63.00 H new ATOM 0 HD2 LYS A 108 -17.015 -11.194 0.838 1.00 42.44 H new ATOM 0 HD3 LYS A 108 -16.573 -12.718 1.582 1.00 42.44 H new ATOM 0 HE2 LYS A 108 -17.120 -11.753 3.828 1.00 33.44 H new ATOM 0 HE3 LYS A 108 -17.619 -10.265 3.048 1.00 33.44 H new ATOM 0 HZ1 LYS A 108 -19.454 -11.836 3.576 1.00 5.14 H new ATOM 0 HZ2 LYS A 108 -19.385 -11.385 1.941 1.00 5.14 H new ATOM 0 HZ3 LYS A 108 -18.823 -12.912 2.424 1.00 5.14 H new ATOM 1628 N VAL A 109 -15.793 -8.656 -0.298 1.00 65.42 N ATOM 1629 CA VAL A 109 -15.870 -7.208 -0.146 1.00 21.25 C ATOM 1630 C VAL A 109 -16.770 -6.877 1.062 1.00 1.11 C ATOM 1631 O VAL A 109 -17.967 -7.154 1.031 1.00 43.53 O ATOM 1632 CB VAL A 109 -16.470 -6.523 -1.427 1.00 24.12 C ATOM 1633 CG1 VAL A 109 -16.387 -5.005 -1.335 1.00 42.01 C ATOM 1634 CG2 VAL A 109 -15.791 -7.016 -2.698 1.00 75.22 C ATOM 0 H VAL A 109 -16.698 -9.124 -0.341 1.00 65.42 H new ATOM 0 HA VAL A 109 -14.859 -6.828 0.005 1.00 21.25 H new ATOM 0 HB VAL A 109 -17.522 -6.806 -1.476 1.00 24.12 H new ATOM 0 HG11 VAL A 109 -16.810 -4.562 -2.237 1.00 42.01 H new ATOM 0 HG12 VAL A 109 -16.947 -4.662 -0.465 1.00 42.01 H new ATOM 0 HG13 VAL A 109 -15.344 -4.703 -1.238 1.00 42.01 H new ATOM 0 HG21 VAL A 109 -16.233 -6.520 -3.562 1.00 75.22 H new ATOM 0 HG22 VAL A 109 -14.726 -6.788 -2.654 1.00 75.22 H new ATOM 0 HG23 VAL A 109 -15.928 -8.094 -2.789 1.00 75.22 H new ATOM 1644 N LEU A 110 -16.227 -6.293 2.115 1.00 62.53 N ATOM 1645 CA LEU A 110 -17.067 -5.958 3.255 1.00 20.34 C ATOM 1646 C LEU A 110 -16.599 -4.624 3.861 1.00 21.31 C ATOM 1647 O LEU A 110 -15.427 -4.328 3.790 1.00 22.23 O ATOM 1648 CB LEU A 110 -17.263 -7.177 4.275 1.00 74.52 C ATOM 1649 CG LEU A 110 -16.378 -7.434 5.536 1.00 22.55 C ATOM 1650 CD1 LEU A 110 -14.980 -7.783 5.235 1.00 1.43 C ATOM 1651 CD2 LEU A 110 -16.493 -6.355 6.587 1.00 35.52 C ATOM 0 H LEU A 110 -15.242 -6.047 2.207 1.00 62.53 H new ATOM 0 HA LEU A 110 -18.091 -5.791 2.921 1.00 20.34 H new ATOM 0 HB2 LEU A 110 -18.288 -7.104 4.637 1.00 74.52 H new ATOM 0 HB3 LEU A 110 -17.201 -8.084 3.674 1.00 74.52 H new ATOM 0 HG LEU A 110 -16.808 -8.333 5.979 1.00 22.55 H new ATOM 0 HD11 LEU A 110 -14.437 -7.945 6.166 1.00 1.43 H new ATOM 0 HD12 LEU A 110 -14.953 -8.694 4.636 1.00 1.43 H new ATOM 0 HD13 LEU A 110 -14.513 -6.970 4.679 1.00 1.43 H new ATOM 0 HD21 LEU A 110 -15.851 -6.601 7.433 1.00 35.52 H new ATOM 0 HD22 LEU A 110 -16.184 -5.400 6.163 1.00 35.52 H new ATOM 0 HD23 LEU A 110 -17.527 -6.285 6.925 1.00 35.52 H new ATOM 1663 N PRO A 111 -17.525 -3.785 4.406 1.00 34.43 N ATOM 1664 CA PRO A 111 -17.200 -2.408 4.902 1.00 31.14 C ATOM 1665 C PRO A 111 -16.027 -2.369 5.883 1.00 42.14 C ATOM 1666 O PRO A 111 -15.928 -3.214 6.770 1.00 73.52 O ATOM 1667 CB PRO A 111 -18.504 -1.966 5.574 1.00 70.44 C ATOM 1668 CG PRO A 111 -19.552 -2.753 4.874 1.00 31.31 C ATOM 1669 CD PRO A 111 -18.946 -4.099 4.618 1.00 55.53 C ATOM 0 HA PRO A 111 -16.875 -1.755 4.092 1.00 31.14 H new ATOM 0 HB2 PRO A 111 -18.494 -2.177 6.643 1.00 70.44 H new ATOM 0 HB3 PRO A 111 -18.668 -0.894 5.462 1.00 70.44 H new ATOM 0 HG2 PRO A 111 -20.451 -2.838 5.485 1.00 31.31 H new ATOM 0 HG3 PRO A 111 -19.845 -2.272 3.941 1.00 31.31 H new ATOM 0 HD2 PRO A 111 -19.089 -4.774 5.462 1.00 55.53 H new ATOM 0 HD3 PRO A 111 -19.388 -4.582 3.746 1.00 55.53 H new ATOM 1677 N LYS A 112 -15.146 -1.374 5.716 1.00 22.55 N ATOM 1678 CA LYS A 112 -13.939 -1.262 6.534 1.00 52.24 C ATOM 1679 C LYS A 112 -14.265 -0.931 7.985 1.00 24.24 C ATOM 1680 O LYS A 112 -14.524 0.237 8.339 1.00 74.34 O ATOM 1681 CB LYS A 112 -12.933 -0.247 5.944 1.00 40.14 C ATOM 1682 CG LYS A 112 -11.647 -0.079 6.783 1.00 54.01 C ATOM 1683 CD LYS A 112 -10.655 0.935 6.190 1.00 61.45 C ATOM 1684 CE LYS A 112 -11.157 2.354 6.313 1.00 44.04 C ATOM 1685 NZ LYS A 112 -10.194 3.351 5.777 1.00 22.04 N ATOM 0 H LYS A 112 -15.250 -0.636 5.020 1.00 22.55 H new ATOM 0 HA LYS A 112 -13.461 -2.242 6.520 1.00 52.24 H new ATOM 0 HB2 LYS A 112 -12.659 -0.565 4.938 1.00 40.14 H new ATOM 0 HB3 LYS A 112 -13.423 0.722 5.850 1.00 40.14 H new ATOM 0 HG2 LYS A 112 -11.919 0.237 7.790 1.00 54.01 H new ATOM 0 HG3 LYS A 112 -11.154 -1.047 6.875 1.00 54.01 H new ATOM 0 HD2 LYS A 112 -9.696 0.844 6.699 1.00 61.45 H new ATOM 0 HD3 LYS A 112 -10.482 0.701 5.140 1.00 61.45 H new ATOM 0 HE2 LYS A 112 -12.104 2.447 5.782 1.00 44.04 H new ATOM 0 HE3 LYS A 112 -11.357 2.575 7.362 1.00 44.04 H new ATOM 0 HZ1 LYS A 112 -10.059 4.112 6.473 1.00 22.04 H new ATOM 0 HZ2 LYS A 112 -9.282 2.887 5.590 1.00 22.04 H new ATOM 0 HZ3 LYS A 112 -10.566 3.752 4.892 1.00 22.04 H new ATOM 2166 N GLY B 21 -7.884 -5.983 9.755 1.00 44.12 N ATOM 2167 CA GLY B 21 -9.309 -6.166 9.775 1.00 70.13 C ATOM 2168 C GLY B 21 -9.733 -7.617 9.799 1.00 62.03 C ATOM 2169 O GLY B 21 -9.353 -8.359 10.708 1.00 51.10 O ATOM 0 HA2 GLY B 21 -9.719 -5.662 10.650 1.00 70.13 H new ATOM 0 HA3 GLY B 21 -9.741 -5.684 8.898 1.00 70.13 H new ATOM 2173 N PRO B 22 -10.553 -8.029 8.815 1.00 32.14 N ATOM 2174 CA PRO B 22 -11.073 -9.409 8.677 1.00 72.43 C ATOM 2175 C PRO B 22 -10.022 -10.562 8.676 1.00 24.43 C ATOM 2176 O PRO B 22 -10.308 -11.615 9.247 1.00 4.15 O ATOM 2177 CB PRO B 22 -11.840 -9.376 7.360 1.00 42.04 C ATOM 2178 CG PRO B 22 -12.222 -7.953 7.202 1.00 44.00 C ATOM 2179 CD PRO B 22 -11.091 -7.156 7.755 1.00 1.43 C ATOM 0 HA PRO B 22 -11.668 -9.653 9.557 1.00 72.43 H new ATOM 0 HB2 PRO B 22 -11.222 -9.718 6.530 1.00 42.04 H new ATOM 0 HB3 PRO B 22 -12.716 -10.023 7.392 1.00 42.04 H new ATOM 0 HG2 PRO B 22 -12.394 -7.710 6.153 1.00 44.00 H new ATOM 0 HG3 PRO B 22 -13.148 -7.737 7.735 1.00 44.00 H new ATOM 0 HD2 PRO B 22 -10.342 -6.938 6.994 1.00 1.43 H new ATOM 0 HD3 PRO B 22 -11.429 -6.199 8.154 1.00 1.43 H new ATOM 2187 N PRO B 23 -8.810 -10.436 8.006 1.00 3.21 N ATOM 2188 CA PRO B 23 -7.803 -11.499 8.054 1.00 52.34 C ATOM 2189 C PRO B 23 -7.430 -11.804 9.481 1.00 0.21 C ATOM 2190 O PRO B 23 -7.267 -10.885 10.296 1.00 71.35 O ATOM 2191 CB PRO B 23 -6.601 -10.913 7.317 1.00 1.43 C ATOM 2192 CG PRO B 23 -7.182 -9.880 6.436 1.00 12.32 C ATOM 2193 CD PRO B 23 -8.347 -9.307 7.184 1.00 33.03 C ATOM 0 HA PRO B 23 -8.159 -12.429 7.611 1.00 52.34 H new ATOM 0 HB2 PRO B 23 -5.879 -10.483 8.012 1.00 1.43 H new ATOM 0 HB3 PRO B 23 -6.076 -11.676 6.743 1.00 1.43 H new ATOM 0 HG2 PRO B 23 -6.449 -9.107 6.204 1.00 12.32 H new ATOM 0 HG3 PRO B 23 -7.501 -10.311 5.487 1.00 12.32 H new ATOM 0 HD2 PRO B 23 -8.052 -8.457 7.799 1.00 33.03 H new ATOM 0 HD3 PRO B 23 -9.126 -8.956 6.507 1.00 33.03 H new ATOM 2201 N GLN B 24 -7.338 -13.067 9.791 1.00 52.51 N ATOM 2202 CA GLN B 24 -7.008 -13.478 11.128 1.00 64.22 C ATOM 2203 C GLN B 24 -5.652 -12.957 11.552 1.00 44.42 C ATOM 2204 O GLN B 24 -4.687 -13.002 10.769 1.00 15.21 O ATOM 2205 CB GLN B 24 -7.119 -14.990 11.298 1.00 55.20 C ATOM 2206 CG GLN B 24 -8.530 -15.500 11.079 1.00 43.04 C ATOM 2207 CD GLN B 24 -9.538 -14.875 12.024 1.00 1.43 C ATOM 2208 OE1 GLN B 24 -9.217 -14.512 13.152 1.00 21.34 O ATOM 2209 NE2 GLN B 24 -10.758 -14.736 11.573 1.00 22.02 N ATOM 0 H GLN B 24 -7.487 -13.833 9.134 1.00 52.51 H new ATOM 0 HA GLN B 24 -7.744 -13.031 11.796 1.00 64.22 H new ATOM 0 HB2 GLN B 24 -6.446 -15.481 10.595 1.00 55.20 H new ATOM 0 HB3 GLN B 24 -6.789 -15.264 12.300 1.00 55.20 H new ATOM 0 HG2 GLN B 24 -8.829 -15.296 10.051 1.00 43.04 H new ATOM 0 HG3 GLN B 24 -8.543 -16.582 11.206 1.00 43.04 H new ATOM 0 HE21 GLN B 24 -10.992 -15.048 10.631 1.00 22.02 H new ATOM 0 HE22 GLN B 24 -11.475 -14.315 12.164 1.00 22.02 H new ATOM 2218 N PRO B 25 -5.584 -12.413 12.778 1.00 60.14 N ATOM 2219 CA PRO B 25 -4.363 -11.837 13.338 1.00 74.51 C ATOM 2220 C PRO B 25 -3.188 -12.811 13.404 1.00 34.41 C ATOM 2221 O PRO B 25 -3.281 -14.000 13.049 1.00 22.53 O ATOM 2222 CB PRO B 25 -4.758 -11.444 14.775 1.00 74.23 C ATOM 2223 CG PRO B 25 -6.241 -11.402 14.797 1.00 40.34 C ATOM 2224 CD PRO B 25 -6.725 -12.308 13.705 1.00 15.22 C ATOM 0 HA PRO B 25 -4.021 -11.014 12.710 1.00 74.51 H new ATOM 0 HB2 PRO B 25 -4.378 -12.168 15.496 1.00 74.23 H new ATOM 0 HB3 PRO B 25 -4.337 -10.475 15.044 1.00 74.23 H new ATOM 0 HG2 PRO B 25 -6.621 -11.729 15.765 1.00 40.34 H new ATOM 0 HG3 PRO B 25 -6.600 -10.385 14.641 1.00 40.34 H new ATOM 0 HD2 PRO B 25 -7.009 -13.285 14.097 1.00 15.22 H new ATOM 0 HD3 PRO B 25 -7.603 -11.896 13.208 1.00 15.22 H new ATOM 2232 N LEU B 26 -2.115 -12.292 13.891 1.00 33.44 N ATOM 2233 CA LEU B 26 -0.895 -12.995 14.055 1.00 62.22 C ATOM 2234 C LEU B 26 -0.197 -12.412 15.257 1.00 5.13 C ATOM 2235 O LEU B 26 -0.534 -11.282 15.663 1.00 40.10 O ATOM 2236 CB LEU B 26 -0.024 -13.074 12.728 1.00 32.25 C ATOM 2237 CG LEU B 26 0.411 -11.777 11.971 1.00 34.52 C ATOM 2238 CD1 LEU B 26 -0.751 -10.915 11.520 1.00 20.21 C ATOM 2239 CD2 LEU B 26 1.405 -10.982 12.753 1.00 12.31 C ATOM 0 H LEU B 26 -2.064 -11.321 14.199 1.00 33.44 H new ATOM 0 HA LEU B 26 -1.086 -14.050 14.249 1.00 62.22 H new ATOM 0 HB2 LEU B 26 0.887 -13.619 12.976 1.00 32.25 H new ATOM 0 HB3 LEU B 26 -0.579 -13.687 12.018 1.00 32.25 H new ATOM 0 HG LEU B 26 0.898 -12.125 11.060 1.00 34.52 H new ATOM 0 HD11 LEU B 26 -0.371 -10.034 11.003 1.00 20.21 H new ATOM 0 HD12 LEU B 26 -1.387 -11.486 10.844 1.00 20.21 H new ATOM 0 HD13 LEU B 26 -1.332 -10.604 12.388 1.00 20.21 H new ATOM 0 HD21 LEU B 26 1.680 -10.090 12.191 1.00 12.31 H new ATOM 0 HD22 LEU B 26 0.967 -10.689 13.707 1.00 12.31 H new ATOM 0 HD23 LEU B 26 2.294 -11.586 12.932 1.00 12.31 H new ATOM 2251 N SER B 27 0.718 -13.147 15.832 1.00 1.53 N ATOM 2252 CA SER B 27 1.327 -12.777 17.094 1.00 31.21 C ATOM 2253 C SER B 27 2.002 -11.395 17.075 1.00 42.23 C ATOM 2254 O SER B 27 2.550 -10.950 16.058 1.00 70.11 O ATOM 2255 CB SER B 27 2.311 -13.865 17.539 1.00 55.11 C ATOM 2256 OG SER B 27 2.904 -13.562 18.792 1.00 33.22 O ATOM 0 H SER B 27 1.067 -14.023 15.442 1.00 1.53 H new ATOM 0 HA SER B 27 0.518 -12.696 17.820 1.00 31.21 H new ATOM 0 HB2 SER B 27 1.790 -14.820 17.605 1.00 55.11 H new ATOM 0 HB3 SER B 27 3.091 -13.979 16.786 1.00 55.11 H new ATOM 0 HG SER B 27 3.523 -14.279 19.043 1.00 33.22 H new ATOM 2262 N ALA B 28 1.920 -10.728 18.219 1.00 11.45 N ATOM 2263 CA ALA B 28 2.547 -9.433 18.447 1.00 21.02 C ATOM 2264 C ALA B 28 4.039 -9.485 18.148 1.00 23.10 C ATOM 2265 O ALA B 28 4.590 -8.553 17.570 1.00 32.44 O ATOM 2266 CB ALA B 28 2.316 -8.976 19.880 1.00 3.10 C ATOM 0 H ALA B 28 1.407 -11.078 19.028 1.00 11.45 H new ATOM 0 HA ALA B 28 2.088 -8.715 17.768 1.00 21.02 H new ATOM 0 HB1 ALA B 28 2.791 -8.007 20.034 1.00 3.10 H new ATOM 0 HB2 ALA B 28 1.246 -8.889 20.066 1.00 3.10 H new ATOM 0 HB3 ALA B 28 2.746 -9.704 20.568 1.00 3.10 H new ATOM 2272 N GLU B 29 4.677 -10.589 18.515 1.00 2.33 N ATOM 2273 CA GLU B 29 6.104 -10.769 18.283 1.00 62.01 C ATOM 2274 C GLU B 29 6.395 -10.814 16.785 1.00 2.53 C ATOM 2275 O GLU B 29 7.422 -10.303 16.327 1.00 52.43 O ATOM 2276 CB GLU B 29 6.604 -12.035 18.973 1.00 63.33 C ATOM 2277 CG GLU B 29 6.389 -12.037 20.483 1.00 64.13 C ATOM 2278 CD GLU B 29 7.130 -10.936 21.196 1.00 63.35 C ATOM 2279 OE1 GLU B 29 6.642 -9.809 21.236 1.00 14.31 O ATOM 2280 OE2 GLU B 29 8.209 -11.191 21.725 1.00 71.10 O ATOM 0 H GLU B 29 4.225 -11.378 18.977 1.00 2.33 H new ATOM 0 HA GLU B 29 6.637 -9.919 18.710 1.00 62.01 H new ATOM 0 HB2 GLU B 29 6.096 -12.898 18.542 1.00 63.33 H new ATOM 0 HB3 GLU B 29 7.668 -12.155 18.766 1.00 63.33 H new ATOM 0 HG2 GLU B 29 5.323 -11.941 20.691 1.00 64.13 H new ATOM 0 HG3 GLU B 29 6.707 -12.999 20.886 1.00 64.13 H new ATOM 2287 N GLU B 30 5.462 -11.395 16.018 1.00 1.54 N ATOM 2288 CA GLU B 30 5.604 -11.440 14.570 1.00 45.15 C ATOM 2289 C GLU B 30 5.546 -10.051 14.005 1.00 14.14 C ATOM 2290 O GLU B 30 6.256 -9.732 13.057 1.00 0.54 O ATOM 2291 CB GLU B 30 4.515 -12.238 13.857 1.00 3.12 C ATOM 2292 CG GLU B 30 4.389 -13.701 14.158 1.00 75.03 C ATOM 2293 CD GLU B 30 5.701 -14.401 14.366 1.00 63.53 C ATOM 2294 OE1 GLU B 30 6.472 -14.554 13.393 1.00 54.00 O ATOM 2295 OE2 GLU B 30 5.991 -14.808 15.511 1.00 13.03 O ATOM 0 H GLU B 30 4.614 -11.833 16.377 1.00 1.54 H new ATOM 0 HA GLU B 30 6.563 -11.930 14.399 1.00 45.15 H new ATOM 0 HB2 GLU B 30 3.558 -11.769 14.084 1.00 3.12 H new ATOM 0 HB3 GLU B 30 4.675 -12.133 12.784 1.00 3.12 H new ATOM 0 HG2 GLU B 30 3.778 -13.825 15.052 1.00 75.03 H new ATOM 0 HG3 GLU B 30 3.858 -14.185 13.338 1.00 75.03 H new ATOM 2302 N LYS B 31 4.724 -9.220 14.624 1.00 44.04 N ATOM 2303 CA LYS B 31 4.489 -7.884 14.154 1.00 53.35 C ATOM 2304 C LYS B 31 5.666 -7.019 14.411 1.00 73.14 C ATOM 2305 O LYS B 31 6.131 -6.321 13.533 1.00 63.01 O ATOM 2306 CB LYS B 31 3.236 -7.304 14.771 1.00 43.52 C ATOM 2307 CG LYS B 31 2.011 -7.975 14.260 1.00 1.22 C ATOM 2308 CD LYS B 31 0.755 -7.369 14.807 1.00 61.01 C ATOM 2309 CE LYS B 31 -0.314 -7.551 13.787 1.00 11.35 C ATOM 2310 NZ LYS B 31 -1.560 -6.895 14.082 1.00 50.20 N ATOM 0 H LYS B 31 4.204 -9.463 15.468 1.00 44.04 H new ATOM 0 HA LYS B 31 4.336 -7.927 13.076 1.00 53.35 H new ATOM 0 HB2 LYS B 31 3.282 -7.407 15.855 1.00 43.52 H new ATOM 0 HB3 LYS B 31 3.184 -6.237 14.555 1.00 43.52 H new ATOM 0 HG2 LYS B 31 1.995 -7.916 13.172 1.00 1.22 H new ATOM 0 HG3 LYS B 31 2.044 -9.033 14.521 1.00 1.22 H new ATOM 0 HD2 LYS B 31 0.475 -7.849 15.745 1.00 61.01 H new ATOM 0 HD3 LYS B 31 0.903 -6.311 15.022 1.00 61.01 H new ATOM 0 HE2 LYS B 31 0.054 -7.184 12.829 1.00 11.35 H new ATOM 0 HE3 LYS B 31 -0.503 -8.618 13.668 1.00 11.35 H new ATOM 0 HZ1 LYS B 31 -2.239 -7.079 13.316 1.00 50.20 H new ATOM 0 HZ2 LYS B 31 -1.941 -7.260 14.978 1.00 50.20 H new ATOM 0 HZ3 LYS B 31 -1.402 -5.870 14.165 1.00 50.20 H new ATOM 2324 N LYS B 32 6.179 -7.094 15.616 1.00 4.44 N ATOM 2325 CA LYS B 32 7.348 -6.377 16.005 1.00 60.10 C ATOM 2326 C LYS B 32 8.515 -6.662 15.082 1.00 41.55 C ATOM 2327 O LYS B 32 9.227 -5.759 14.670 1.00 24.24 O ATOM 2328 CB LYS B 32 7.663 -6.812 17.403 1.00 74.15 C ATOM 2329 CG LYS B 32 6.649 -6.269 18.370 1.00 61.22 C ATOM 2330 CD LYS B 32 6.694 -6.942 19.699 1.00 74.41 C ATOM 2331 CE LYS B 32 8.082 -6.977 20.288 1.00 53.24 C ATOM 2332 NZ LYS B 32 8.116 -7.662 21.589 1.00 72.11 N ATOM 0 H LYS B 32 5.781 -7.668 16.359 1.00 4.44 H new ATOM 0 HA LYS B 32 7.172 -5.303 15.949 1.00 60.10 H new ATOM 0 HB2 LYS B 32 7.677 -7.901 17.456 1.00 74.15 H new ATOM 0 HB3 LYS B 32 8.659 -6.467 17.681 1.00 74.15 H new ATOM 0 HG2 LYS B 32 6.818 -5.201 18.504 1.00 61.22 H new ATOM 0 HG3 LYS B 32 5.652 -6.383 17.945 1.00 61.22 H new ATOM 0 HD2 LYS B 32 6.025 -6.424 20.387 1.00 74.41 H new ATOM 0 HD3 LYS B 32 6.321 -7.961 19.598 1.00 74.41 H new ATOM 0 HE2 LYS B 32 8.756 -7.482 19.596 1.00 53.24 H new ATOM 0 HE3 LYS B 32 8.451 -5.958 20.406 1.00 53.24 H new ATOM 0 HZ1 LYS B 32 9.005 -8.194 21.678 1.00 72.11 H new ATOM 0 HZ2 LYS B 32 8.055 -6.959 22.353 1.00 72.11 H new ATOM 0 HZ3 LYS B 32 7.312 -8.318 21.657 1.00 72.11 H new ATOM 2346 N GLU B 33 8.673 -7.925 14.745 1.00 53.22 N ATOM 2347 CA GLU B 33 9.747 -8.406 13.897 1.00 71.10 C ATOM 2348 C GLU B 33 9.621 -7.862 12.472 1.00 44.13 C ATOM 2349 O GLU B 33 10.604 -7.450 11.870 1.00 2.13 O ATOM 2350 CB GLU B 33 9.684 -9.924 13.883 1.00 42.31 C ATOM 2351 CG GLU B 33 10.980 -10.628 14.204 1.00 42.15 C ATOM 2352 CD GLU B 33 11.674 -10.102 15.423 1.00 61.44 C ATOM 2353 OE1 GLU B 33 12.376 -9.088 15.323 1.00 1.53 O ATOM 2354 OE2 GLU B 33 11.529 -10.682 16.492 1.00 11.43 O ATOM 0 H GLU B 33 8.044 -8.664 15.060 1.00 53.22 H new ATOM 0 HA GLU B 33 10.703 -8.061 14.290 1.00 71.10 H new ATOM 0 HB2 GLU B 33 8.928 -10.246 14.599 1.00 42.31 H new ATOM 0 HB3 GLU B 33 9.348 -10.248 12.898 1.00 42.31 H new ATOM 0 HG2 GLU B 33 10.780 -11.690 14.343 1.00 42.15 H new ATOM 0 HG3 GLU B 33 11.651 -10.539 13.350 1.00 42.15 H new ATOM 2361 N ILE B 34 8.404 -7.830 11.967 1.00 52.52 N ATOM 2362 CA ILE B 34 8.170 -7.424 10.589 1.00 53.32 C ATOM 2363 C ILE B 34 8.385 -5.937 10.360 1.00 71.33 C ATOM 2364 O ILE B 34 8.907 -5.544 9.309 1.00 2.33 O ATOM 2365 CB ILE B 34 6.852 -7.953 9.949 1.00 52.23 C ATOM 2366 CG1 ILE B 34 5.625 -7.502 10.746 1.00 75.32 C ATOM 2367 CG2 ILE B 34 6.900 -9.473 9.829 1.00 51.24 C ATOM 2368 CD1 ILE B 34 4.307 -8.120 10.293 1.00 42.15 C ATOM 0 H ILE B 34 7.562 -8.079 12.486 1.00 52.52 H new ATOM 0 HA ILE B 34 8.953 -7.942 10.035 1.00 53.32 H new ATOM 0 HB ILE B 34 6.763 -7.528 8.949 1.00 52.23 H new ATOM 0 HG12 ILE B 34 5.782 -7.745 11.797 1.00 75.32 H new ATOM 0 HG13 ILE B 34 5.544 -6.417 10.679 1.00 75.32 H new ATOM 0 HG21 ILE B 34 5.974 -9.832 9.380 1.00 51.24 H new ATOM 0 HG22 ILE B 34 7.743 -9.762 9.201 1.00 51.24 H new ATOM 0 HG23 ILE B 34 7.018 -9.913 10.819 1.00 51.24 H new ATOM 0 HD11 ILE B 34 3.495 -7.742 10.915 1.00 42.15 H new ATOM 0 HD12 ILE B 34 4.120 -7.856 9.252 1.00 42.15 H new ATOM 0 HD13 ILE B 34 4.362 -9.204 10.388 1.00 42.15 H new ATOM 2380 N ASP B 35 8.049 -5.108 11.363 1.00 60.31 N ATOM 2381 CA ASP B 35 8.206 -3.655 11.225 1.00 24.51 C ATOM 2382 C ASP B 35 9.684 -3.306 11.065 1.00 13.20 C ATOM 2383 O ASP B 35 10.057 -2.507 10.230 1.00 74.05 O ATOM 2384 CB ASP B 35 7.651 -2.865 12.438 1.00 32.01 C ATOM 2385 CG ASP B 35 6.154 -2.979 12.690 1.00 30.45 C ATOM 2386 OD1 ASP B 35 5.359 -2.647 11.804 1.00 44.23 O ATOM 2387 OD2 ASP B 35 5.772 -3.363 13.819 1.00 23.24 O ATOM 0 H ASP B 35 7.674 -5.414 12.261 1.00 60.31 H new ATOM 0 HA ASP B 35 7.632 -3.368 10.344 1.00 24.51 H new ATOM 0 HB2 ASP B 35 8.175 -3.200 13.333 1.00 32.01 H new ATOM 0 HB3 ASP B 35 7.896 -1.812 12.301 1.00 32.01 H new ATOM 2392 N LYS B 36 10.518 -3.966 11.840 1.00 75.30 N ATOM 2393 CA LYS B 36 11.982 -3.718 11.863 1.00 42.32 C ATOM 2394 C LYS B 36 12.613 -3.965 10.504 1.00 2.21 C ATOM 2395 O LYS B 36 13.644 -3.399 10.170 1.00 53.51 O ATOM 2396 CB LYS B 36 12.621 -4.684 12.827 1.00 42.45 C ATOM 2397 CG LYS B 36 12.051 -4.644 14.197 1.00 13.55 C ATOM 2398 CD LYS B 36 12.542 -5.816 14.985 1.00 51.21 C ATOM 2399 CE LYS B 36 11.830 -5.888 16.288 1.00 61.03 C ATOM 2400 NZ LYS B 36 12.135 -7.103 17.006 1.00 4.25 N ATOM 0 H LYS B 36 10.218 -4.698 12.483 1.00 75.30 H new ATOM 0 HA LYS B 36 12.139 -2.679 12.153 1.00 42.32 H new ATOM 0 HB2 LYS B 36 12.518 -5.695 12.432 1.00 42.45 H new ATOM 0 HB3 LYS B 36 13.688 -4.471 12.883 1.00 42.45 H new ATOM 0 HG2 LYS B 36 12.336 -3.716 14.692 1.00 13.55 H new ATOM 0 HG3 LYS B 36 10.962 -4.658 14.148 1.00 13.55 H new ATOM 0 HD2 LYS B 36 12.381 -6.736 14.422 1.00 51.21 H new ATOM 0 HD3 LYS B 36 13.615 -5.728 15.152 1.00 51.21 H new ATOM 0 HE2 LYS B 36 12.104 -5.028 16.899 1.00 61.03 H new ATOM 0 HE3 LYS B 36 10.755 -5.828 16.117 1.00 61.03 H new ATOM 0 HZ1 LYS B 36 11.496 -7.194 17.821 1.00 4.25 H new ATOM 0 HZ2 LYS B 36 12.010 -7.920 16.375 1.00 4.25 H new ATOM 0 HZ3 LYS B 36 13.119 -7.071 17.340 1.00 4.25 H new ATOM 2414 N ARG B 37 12.001 -4.826 9.740 1.00 72.44 N ATOM 2415 CA ARG B 37 12.545 -5.241 8.493 1.00 34.31 C ATOM 2416 C ARG B 37 11.800 -4.572 7.340 1.00 41.41 C ATOM 2417 O ARG B 37 11.918 -4.992 6.194 1.00 1.22 O ATOM 2418 CB ARG B 37 12.388 -6.754 8.407 1.00 72.12 C ATOM 2419 CG ARG B 37 12.761 -7.457 9.707 1.00 20.21 C ATOM 2420 CD ARG B 37 12.713 -8.951 9.605 1.00 13.32 C ATOM 2421 NE ARG B 37 11.406 -9.477 9.172 1.00 63.43 N ATOM 2422 CZ ARG B 37 10.889 -10.651 9.576 1.00 41.11 C ATOM 2423 NH1 ARG B 37 11.492 -11.352 10.538 1.00 2.33 N ATOM 2424 NH2 ARG B 37 9.769 -11.118 9.016 1.00 75.10 N ATOM 0 H ARG B 37 11.107 -5.257 9.973 1.00 72.44 H new ATOM 0 HA ARG B 37 13.595 -4.957 8.423 1.00 34.31 H new ATOM 0 HB2 ARG B 37 11.356 -6.994 8.151 1.00 72.12 H new ATOM 0 HB3 ARG B 37 13.013 -7.135 7.600 1.00 72.12 H new ATOM 0 HG2 ARG B 37 13.765 -7.152 10.003 1.00 20.21 H new ATOM 0 HG3 ARG B 37 12.083 -7.131 10.496 1.00 20.21 H new ATOM 0 HD2 ARG B 37 13.478 -9.282 8.903 1.00 13.32 H new ATOM 0 HD3 ARG B 37 12.963 -9.380 10.575 1.00 13.32 H new ATOM 0 HE ARG B 37 10.857 -8.913 8.523 1.00 63.43 H new ATOM 0 HH11 ARG B 37 12.346 -10.998 10.968 1.00 2.33 H new ATOM 0 HH12 ARG B 37 11.099 -12.242 10.843 1.00 2.33 H new ATOM 0 HH21 ARG B 37 9.305 -10.584 8.281 1.00 75.10 H new ATOM 0 HH22 ARG B 37 9.378 -12.009 9.323 1.00 75.10 H new ATOM 2438 N SER B 38 11.042 -3.535 7.636 1.00 63.11 N ATOM 2439 CA SER B 38 10.263 -2.882 6.606 1.00 11.10 C ATOM 2440 C SER B 38 10.698 -1.429 6.319 1.00 13.32 C ATOM 2441 O SER B 38 11.469 -0.821 7.085 1.00 73.44 O ATOM 2442 CB SER B 38 8.789 -2.965 6.938 1.00 51.14 C ATOM 2443 OG SER B 38 8.513 -2.374 8.162 1.00 72.02 O ATOM 0 H SER B 38 10.950 -3.132 8.568 1.00 63.11 H new ATOM 0 HA SER B 38 10.454 -3.423 5.679 1.00 11.10 H new ATOM 0 HB2 SER B 38 8.210 -2.474 6.156 1.00 51.14 H new ATOM 0 HB3 SER B 38 8.477 -4.009 6.958 1.00 51.14 H new ATOM 0 HG SER B 38 9.328 -2.353 8.706 1.00 72.02 H new ATOM 2449 N VAL B 39 10.153 -0.883 5.231 1.00 73.13 N ATOM 2450 CA VAL B 39 10.494 0.438 4.694 1.00 53.45 C ATOM 2451 C VAL B 39 9.311 1.155 4.073 1.00 24.13 C ATOM 2452 O VAL B 39 8.289 0.550 3.754 1.00 14.10 O ATOM 2453 CB VAL B 39 11.650 0.390 3.645 1.00 33.54 C ATOM 2454 CG1 VAL B 39 12.985 0.489 4.314 1.00 1.41 C ATOM 2455 CG2 VAL B 39 11.594 -0.888 2.834 1.00 3.54 C ATOM 0 H VAL B 39 9.440 -1.362 4.681 1.00 73.13 H new ATOM 0 HA VAL B 39 10.827 0.999 5.567 1.00 53.45 H new ATOM 0 HB VAL B 39 11.519 1.243 2.979 1.00 33.54 H new ATOM 0 HG11 VAL B 39 13.773 0.453 3.561 1.00 1.41 H new ATOM 0 HG12 VAL B 39 13.049 1.429 4.862 1.00 1.41 H new ATOM 0 HG13 VAL B 39 13.107 -0.343 5.007 1.00 1.41 H new ATOM 0 HG21 VAL B 39 12.410 -0.896 2.111 1.00 3.54 H new ATOM 0 HG22 VAL B 39 11.690 -1.746 3.500 1.00 3.54 H new ATOM 0 HG23 VAL B 39 10.642 -0.943 2.307 1.00 3.54 H new ATOM 2465 N TYR B 40 9.514 2.427 3.883 1.00 53.03 N ATOM 2466 CA TYR B 40 8.608 3.370 3.291 1.00 35.44 C ATOM 2467 C TYR B 40 9.130 3.664 1.911 1.00 51.21 C ATOM 2468 O TYR B 40 10.297 3.997 1.759 1.00 54.41 O ATOM 2469 CB TYR B 40 8.628 4.696 4.117 1.00 42.41 C ATOM 2470 CG TYR B 40 8.025 5.880 3.429 1.00 63.02 C ATOM 2471 CD1 TYR B 40 6.691 6.115 3.506 1.00 74.34 C ATOM 2472 CD2 TYR B 40 8.818 6.774 2.720 1.00 44.10 C ATOM 2473 CE1 TYR B 40 6.117 7.177 2.920 1.00 12.01 C ATOM 2474 CE2 TYR B 40 8.278 7.864 2.108 1.00 22.52 C ATOM 2475 CZ TYR B 40 6.906 8.075 2.207 1.00 43.13 C ATOM 2476 OH TYR B 40 6.320 9.171 1.605 1.00 34.33 O ATOM 0 H TYR B 40 10.391 2.868 4.161 1.00 53.03 H new ATOM 0 HA TYR B 40 7.593 2.973 3.267 1.00 35.44 H new ATOM 0 HB2 TYR B 40 8.097 4.530 5.054 1.00 42.41 H new ATOM 0 HB3 TYR B 40 9.661 4.931 4.373 1.00 42.41 H new ATOM 0 HD1 TYR B 40 6.070 5.424 4.057 1.00 74.34 H new ATOM 0 HD2 TYR B 40 9.882 6.601 2.653 1.00 44.10 H new ATOM 0 HE1 TYR B 40 5.051 7.334 3.001 1.00 12.01 H new ATOM 0 HE2 TYR B 40 8.902 8.551 1.557 1.00 22.52 H new ATOM 0 HH TYR B 40 7.007 9.700 1.148 1.00 34.33 H new ATOM 2486 N VAL B 41 8.313 3.501 0.933 1.00 33.14 N ATOM 2487 CA VAL B 41 8.641 3.811 -0.428 1.00 31.10 C ATOM 2488 C VAL B 41 7.713 4.914 -0.899 1.00 54.23 C ATOM 2489 O VAL B 41 6.509 4.721 -0.954 1.00 52.15 O ATOM 2490 CB VAL B 41 8.435 2.565 -1.314 1.00 45.20 C ATOM 2491 CG1 VAL B 41 8.780 2.851 -2.774 1.00 54.03 C ATOM 2492 CG2 VAL B 41 9.258 1.408 -0.787 1.00 63.50 C ATOM 0 H VAL B 41 7.367 3.138 1.052 1.00 33.14 H new ATOM 0 HA VAL B 41 9.682 4.128 -0.497 1.00 31.10 H new ATOM 0 HB VAL B 41 7.380 2.295 -1.275 1.00 45.20 H new ATOM 0 HG11 VAL B 41 8.623 1.951 -3.368 1.00 54.03 H new ATOM 0 HG12 VAL B 41 8.140 3.650 -3.149 1.00 54.03 H new ATOM 0 HG13 VAL B 41 9.824 3.157 -2.848 1.00 54.03 H new ATOM 0 HG21 VAL B 41 9.105 0.534 -1.420 1.00 63.50 H new ATOM 0 HG22 VAL B 41 10.314 1.680 -0.793 1.00 63.50 H new ATOM 0 HG23 VAL B 41 8.949 1.176 0.232 1.00 63.50 H new ATOM 2502 N GLY B 42 8.252 6.057 -1.202 1.00 63.42 N ATOM 2503 CA GLY B 42 7.424 7.160 -1.620 1.00 34.40 C ATOM 2504 C GLY B 42 7.536 7.460 -3.098 1.00 31.43 C ATOM 2505 O GLY B 42 8.471 7.003 -3.758 1.00 22.13 O ATOM 0 H GLY B 42 9.252 6.254 -1.170 1.00 63.42 H new ATOM 0 HA2 GLY B 42 6.385 6.938 -1.378 1.00 34.40 H new ATOM 0 HA3 GLY B 42 7.700 8.049 -1.053 1.00 34.40 H new ATOM 2509 N ASN B 43 6.595 8.262 -3.579 1.00 4.34 N ATOM 2510 CA ASN B 43 6.476 8.692 -4.983 1.00 40.21 C ATOM 2511 C ASN B 43 6.231 7.527 -5.963 1.00 70.24 C ATOM 2512 O ASN B 43 7.095 7.157 -6.765 1.00 60.44 O ATOM 2513 CB ASN B 43 7.647 9.609 -5.433 1.00 23.43 C ATOM 2514 CG ASN B 43 7.483 10.165 -6.851 1.00 62.41 C ATOM 2515 OD1 ASN B 43 6.366 10.354 -7.337 1.00 13.52 O ATOM 2516 ND2 ASN B 43 8.589 10.450 -7.512 1.00 55.12 N ATOM 0 H ASN B 43 5.861 8.651 -2.986 1.00 4.34 H new ATOM 0 HA ASN B 43 5.574 9.303 -5.020 1.00 40.21 H new ATOM 0 HB2 ASN B 43 7.735 10.441 -4.734 1.00 23.43 H new ATOM 0 HB3 ASN B 43 8.579 9.047 -5.378 1.00 23.43 H new ATOM 0 HD21 ASN B 43 8.535 10.839 -8.454 1.00 55.12 H new ATOM 0 HD22 ASN B 43 9.498 10.282 -7.081 1.00 55.12 H new ATOM 2523 N VAL B 44 5.081 6.905 -5.821 1.00 52.23 N ATOM 2524 CA VAL B 44 4.664 5.857 -6.740 1.00 64.30 C ATOM 2525 C VAL B 44 3.161 5.931 -7.048 1.00 13.11 C ATOM 2526 O VAL B 44 2.337 5.794 -6.168 1.00 30.24 O ATOM 2527 CB VAL B 44 5.086 4.427 -6.230 1.00 53.34 C ATOM 2528 CG1 VAL B 44 4.493 4.095 -4.865 1.00 43.44 C ATOM 2529 CG2 VAL B 44 4.742 3.352 -7.248 1.00 43.50 C ATOM 0 H VAL B 44 4.413 7.104 -5.077 1.00 52.23 H new ATOM 0 HA VAL B 44 5.191 6.030 -7.678 1.00 64.30 H new ATOM 0 HB VAL B 44 6.169 4.448 -6.110 1.00 53.34 H new ATOM 0 HG11 VAL B 44 4.815 3.099 -4.561 1.00 43.44 H new ATOM 0 HG12 VAL B 44 4.834 4.826 -4.132 1.00 43.44 H new ATOM 0 HG13 VAL B 44 3.405 4.122 -4.925 1.00 43.44 H new ATOM 0 HG21 VAL B 44 5.046 2.378 -6.865 1.00 43.50 H new ATOM 0 HG22 VAL B 44 3.667 3.352 -7.428 1.00 43.50 H new ATOM 0 HG23 VAL B 44 5.266 3.555 -8.182 1.00 43.50 H new ATOM 2539 N ASP B 45 2.813 6.147 -8.316 1.00 42.05 N ATOM 2540 CA ASP B 45 1.392 6.220 -8.703 1.00 32.23 C ATOM 2541 C ASP B 45 0.911 4.800 -8.833 1.00 63.22 C ATOM 2542 O ASP B 45 1.739 3.881 -8.933 1.00 74.34 O ATOM 2543 CB ASP B 45 1.168 6.860 -10.082 1.00 54.21 C ATOM 2544 CG ASP B 45 1.915 8.132 -10.376 1.00 12.11 C ATOM 2545 OD1 ASP B 45 1.886 9.072 -9.591 1.00 70.32 O ATOM 2546 OD2 ASP B 45 2.578 8.175 -11.442 1.00 64.05 O ATOM 0 H ASP B 45 3.474 6.273 -9.083 1.00 42.05 H new ATOM 0 HA ASP B 45 0.874 6.819 -7.954 1.00 32.23 H new ATOM 0 HB2 ASP B 45 1.436 6.127 -10.843 1.00 54.21 H new ATOM 0 HB3 ASP B 45 0.102 7.060 -10.193 1.00 54.21 H new ATOM 2551 N TYR B 46 -0.401 4.587 -8.920 1.00 62.02 N ATOM 2552 CA TYR B 46 -0.940 3.230 -9.016 1.00 22.01 C ATOM 2553 C TYR B 46 -0.737 2.626 -10.416 1.00 4.11 C ATOM 2554 O TYR B 46 -1.223 1.529 -10.716 1.00 53.55 O ATOM 2555 CB TYR B 46 -2.426 3.195 -8.594 1.00 21.53 C ATOM 2556 CG TYR B 46 -3.409 3.922 -9.467 1.00 72.12 C ATOM 2557 CD1 TYR B 46 -3.638 5.255 -9.294 1.00 3.22 C ATOM 2558 CD2 TYR B 46 -4.141 3.248 -10.445 1.00 62.02 C ATOM 2559 CE1 TYR B 46 -4.560 5.921 -10.056 1.00 4.32 C ATOM 2560 CE2 TYR B 46 -5.067 3.911 -11.223 1.00 42.30 C ATOM 2561 CZ TYR B 46 -5.270 5.254 -11.022 1.00 75.24 C ATOM 2562 OH TYR B 46 -6.210 5.929 -11.771 1.00 33.31 O ATOM 0 H TYR B 46 -1.104 5.326 -8.926 1.00 62.02 H new ATOM 0 HA TYR B 46 -0.378 2.607 -8.320 1.00 22.01 H new ATOM 0 HB2 TYR B 46 -2.735 2.151 -8.535 1.00 21.53 H new ATOM 0 HB3 TYR B 46 -2.500 3.607 -7.587 1.00 21.53 H new ATOM 0 HD1 TYR B 46 -3.082 5.795 -8.542 1.00 3.22 H new ATOM 0 HD2 TYR B 46 -3.980 2.191 -10.595 1.00 62.02 H new ATOM 0 HE1 TYR B 46 -4.729 6.976 -9.896 1.00 4.32 H new ATOM 0 HE2 TYR B 46 -5.625 3.381 -11.980 1.00 42.30 H new ATOM 0 HH TYR B 46 -7.108 5.706 -11.447 1.00 33.31 H new ATOM 2572 N GLY B 47 -0.025 3.363 -11.268 1.00 22.41 N ATOM 2573 CA GLY B 47 0.340 2.871 -12.572 1.00 74.03 C ATOM 2574 C GLY B 47 1.425 1.832 -12.457 1.00 75.33 C ATOM 2575 O GLY B 47 1.596 0.995 -13.345 1.00 12.23 O ATOM 0 H GLY B 47 0.306 4.306 -11.066 1.00 22.41 H new ATOM 0 HA2 GLY B 47 -0.533 2.441 -13.063 1.00 74.03 H new ATOM 0 HA3 GLY B 47 0.683 3.696 -13.196 1.00 74.03 H new ATOM 2579 N SER B 48 2.185 1.911 -11.374 1.00 62.43 N ATOM 2580 CA SER B 48 3.154 0.911 -11.060 1.00 31.12 C ATOM 2581 C SER B 48 2.451 -0.098 -10.170 1.00 31.22 C ATOM 2582 O SER B 48 1.578 0.276 -9.387 1.00 60.50 O ATOM 2583 CB SER B 48 4.332 1.547 -10.338 1.00 2.53 C ATOM 2584 OG SER B 48 4.883 2.605 -11.116 1.00 35.10 O ATOM 0 H SER B 48 2.135 2.675 -10.700 1.00 62.43 H new ATOM 0 HA SER B 48 3.545 0.428 -11.955 1.00 31.12 H new ATOM 0 HB2 SER B 48 4.009 1.930 -9.370 1.00 2.53 H new ATOM 0 HB3 SER B 48 5.096 0.794 -10.144 1.00 2.53 H new ATOM 0 HG SER B 48 4.752 2.413 -12.068 1.00 35.10 H new ATOM 2590 N THR B 49 2.788 -1.340 -10.279 1.00 71.22 N ATOM 2591 CA THR B 49 2.045 -2.324 -9.560 1.00 32.21 C ATOM 2592 C THR B 49 2.795 -2.811 -8.347 1.00 72.12 C ATOM 2593 O THR B 49 3.964 -2.458 -8.131 1.00 73.41 O ATOM 2594 CB THR B 49 1.719 -3.527 -10.455 1.00 3.42 C ATOM 2595 OG1 THR B 49 2.928 -4.224 -10.788 1.00 53.21 O ATOM 2596 CG2 THR B 49 1.047 -3.065 -11.735 1.00 42.42 C ATOM 0 H THR B 49 3.557 -1.695 -10.847 1.00 71.22 H new ATOM 0 HA THR B 49 1.121 -1.845 -9.236 1.00 32.21 H new ATOM 0 HB THR B 49 1.045 -4.190 -9.913 1.00 3.42 H new ATOM 0 HG1 THR B 49 3.448 -3.691 -11.426 1.00 53.21 H new ATOM 0 HG21 THR B 49 0.822 -3.929 -12.360 1.00 42.42 H new ATOM 0 HG22 THR B 49 0.122 -2.542 -11.492 1.00 42.42 H new ATOM 0 HG23 THR B 49 1.714 -2.392 -12.274 1.00 42.42 H new ATOM 2604 N ALA B 50 2.130 -3.641 -7.562 1.00 30.21 N ATOM 2605 CA ALA B 50 2.721 -4.280 -6.423 1.00 24.55 C ATOM 2606 C ALA B 50 3.824 -5.219 -6.909 1.00 13.35 C ATOM 2607 O ALA B 50 4.862 -5.344 -6.288 1.00 30.01 O ATOM 2608 CB ALA B 50 1.625 -5.058 -5.710 1.00 24.02 C ATOM 0 H ALA B 50 1.151 -3.886 -7.709 1.00 30.21 H new ATOM 0 HA ALA B 50 3.159 -3.555 -5.737 1.00 24.55 H new ATOM 0 HB1 ALA B 50 2.043 -5.557 -4.836 1.00 24.02 H new ATOM 0 HB2 ALA B 50 0.838 -4.372 -5.395 1.00 24.02 H new ATOM 0 HB3 ALA B 50 1.207 -5.802 -6.388 1.00 24.02 H new ATOM 2614 N GLN B 51 3.558 -5.877 -8.036 1.00 21.31 N ATOM 2615 CA GLN B 51 4.516 -6.764 -8.697 1.00 51.00 C ATOM 2616 C GLN B 51 5.806 -6.010 -9.063 1.00 32.03 C ATOM 2617 O GLN B 51 6.910 -6.535 -8.890 1.00 62.44 O ATOM 2618 CB GLN B 51 3.868 -7.339 -9.952 1.00 74.34 C ATOM 2619 CG GLN B 51 4.631 -8.466 -10.604 1.00 52.04 C ATOM 2620 CD GLN B 51 3.925 -8.971 -11.838 1.00 33.40 C ATOM 2621 OE1 GLN B 51 3.047 -9.814 -11.756 1.00 0.21 O ATOM 2622 NE2 GLN B 51 4.344 -8.541 -12.973 1.00 73.21 N ATOM 0 H GLN B 51 2.663 -5.809 -8.521 1.00 21.31 H new ATOM 0 HA GLN B 51 4.786 -7.570 -8.014 1.00 51.00 H new ATOM 0 HB2 GLN B 51 2.870 -7.696 -9.697 1.00 74.34 H new ATOM 0 HB3 GLN B 51 3.743 -6.536 -10.679 1.00 74.34 H new ATOM 0 HG2 GLN B 51 5.631 -8.123 -10.870 1.00 52.04 H new ATOM 0 HG3 GLN B 51 4.753 -9.283 -9.893 1.00 52.04 H new ATOM 0 HE21 GLN B 51 5.080 -7.835 -13.011 1.00 73.21 H new ATOM 0 HE22 GLN B 51 3.941 -8.905 -13.837 1.00 73.21 H new ATOM 2631 N ASP B 52 5.655 -4.785 -9.576 1.00 52.23 N ATOM 2632 CA ASP B 52 6.819 -3.926 -9.892 1.00 5.21 C ATOM 2633 C ASP B 52 7.634 -3.686 -8.651 1.00 61.51 C ATOM 2634 O ASP B 52 8.859 -3.821 -8.653 1.00 1.43 O ATOM 2635 CB ASP B 52 6.413 -2.560 -10.476 1.00 54.20 C ATOM 2636 CG ASP B 52 5.811 -2.622 -11.848 1.00 74.40 C ATOM 2637 OD1 ASP B 52 6.567 -2.596 -12.839 1.00 5.20 O ATOM 2638 OD2 ASP B 52 4.573 -2.662 -11.967 1.00 34.11 O ATOM 0 H ASP B 52 4.750 -4.362 -9.783 1.00 52.23 H new ATOM 0 HA ASP B 52 7.399 -4.459 -10.645 1.00 5.21 H new ATOM 0 HB2 ASP B 52 5.699 -2.089 -9.801 1.00 54.20 H new ATOM 0 HB3 ASP B 52 7.293 -1.917 -10.508 1.00 54.20 H new ATOM 2643 N LEU B 53 6.940 -3.357 -7.591 1.00 73.24 N ATOM 2644 CA LEU B 53 7.553 -3.080 -6.317 1.00 10.53 C ATOM 2645 C LEU B 53 8.221 -4.302 -5.734 1.00 65.04 C ATOM 2646 O LEU B 53 9.392 -4.239 -5.330 1.00 50.10 O ATOM 2647 CB LEU B 53 6.475 -2.560 -5.369 1.00 60.33 C ATOM 2648 CG LEU B 53 5.982 -1.164 -5.681 1.00 13.01 C ATOM 2649 CD1 LEU B 53 4.673 -0.910 -4.954 1.00 61.04 C ATOM 2650 CD2 LEU B 53 7.020 -0.170 -5.201 1.00 72.02 C ATOM 0 H LEU B 53 5.923 -3.273 -7.588 1.00 73.24 H new ATOM 0 HA LEU B 53 8.333 -2.332 -6.456 1.00 10.53 H new ATOM 0 HB2 LEU B 53 5.627 -3.245 -5.394 1.00 60.33 H new ATOM 0 HB3 LEU B 53 6.867 -2.574 -4.352 1.00 60.33 H new ATOM 0 HG LEU B 53 5.822 -1.058 -6.754 1.00 13.01 H new ATOM 0 HD11 LEU B 53 4.320 0.096 -5.181 1.00 61.04 H new ATOM 0 HD12 LEU B 53 3.929 -1.637 -5.279 1.00 61.04 H new ATOM 0 HD13 LEU B 53 4.829 -1.006 -3.880 1.00 61.04 H new ATOM 0 HD21 LEU B 53 6.681 0.843 -5.418 1.00 72.02 H new ATOM 0 HD22 LEU B 53 7.162 -0.283 -4.126 1.00 72.02 H new ATOM 0 HD23 LEU B 53 7.964 -0.354 -5.713 1.00 72.02 H new ATOM 2662 N GLU B 54 7.515 -5.415 -5.716 1.00 50.00 N ATOM 2663 CA GLU B 54 8.022 -6.629 -5.147 1.00 23.23 C ATOM 2664 C GLU B 54 9.247 -7.120 -5.868 1.00 62.15 C ATOM 2665 O GLU B 54 10.236 -7.365 -5.244 1.00 53.24 O ATOM 2666 CB GLU B 54 6.887 -7.658 -5.140 1.00 30.05 C ATOM 2667 CG GLU B 54 7.128 -8.938 -4.344 1.00 4.11 C ATOM 2668 CD GLU B 54 7.615 -10.100 -5.151 1.00 64.24 C ATOM 2669 OE1 GLU B 54 6.764 -10.841 -5.687 1.00 70.41 O ATOM 2670 OE2 GLU B 54 8.820 -10.328 -5.212 1.00 13.33 O ATOM 0 H GLU B 54 6.573 -5.494 -6.098 1.00 50.00 H new ATOM 0 HA GLU B 54 8.351 -6.451 -4.123 1.00 23.23 H new ATOM 0 HB2 GLU B 54 5.993 -7.175 -4.746 1.00 30.05 H new ATOM 0 HB3 GLU B 54 6.672 -7.934 -6.172 1.00 30.05 H new ATOM 0 HG2 GLU B 54 7.855 -8.729 -3.559 1.00 4.11 H new ATOM 0 HG3 GLU B 54 6.199 -9.222 -3.850 1.00 4.11 H new ATOM 2677 N ALA B 55 9.195 -7.191 -7.182 1.00 44.40 N ATOM 2678 CA ALA B 55 10.350 -7.635 -7.964 1.00 25.11 C ATOM 2679 C ALA B 55 11.581 -6.754 -7.734 1.00 52.04 C ATOM 2680 O ALA B 55 12.723 -7.253 -7.548 1.00 71.30 O ATOM 2681 CB ALA B 55 10.010 -7.698 -9.439 1.00 54.03 C ATOM 0 H ALA B 55 8.374 -6.950 -7.737 1.00 44.40 H new ATOM 0 HA ALA B 55 10.601 -8.638 -7.618 1.00 25.11 H new ATOM 0 HB1 ALA B 55 10.884 -8.030 -10.000 1.00 54.03 H new ATOM 0 HB2 ALA B 55 9.191 -8.400 -9.594 1.00 54.03 H new ATOM 0 HB3 ALA B 55 9.711 -6.709 -9.786 1.00 54.03 H new ATOM 2687 N HIS B 56 11.335 -5.460 -7.676 1.00 73.13 N ATOM 2688 CA HIS B 56 12.409 -4.482 -7.549 1.00 53.13 C ATOM 2689 C HIS B 56 13.068 -4.607 -6.179 1.00 35.15 C ATOM 2690 O HIS B 56 14.290 -4.555 -6.059 1.00 14.13 O ATOM 2691 CB HIS B 56 11.880 -3.053 -7.787 1.00 13.31 C ATOM 2692 CG HIS B 56 12.949 -1.990 -7.850 1.00 4.23 C ATOM 2693 ND1 HIS B 56 13.492 -1.550 -9.030 1.00 32.42 N ATOM 2694 CD2 HIS B 56 13.556 -1.271 -6.873 1.00 74.33 C ATOM 2695 CE1 HIS B 56 14.378 -0.612 -8.786 1.00 31.33 C ATOM 2696 NE2 HIS B 56 14.437 -0.423 -7.482 1.00 43.43 N ATOM 0 H HIS B 56 10.399 -5.056 -7.715 1.00 73.13 H new ATOM 0 HA HIS B 56 13.161 -4.684 -8.312 1.00 53.13 H new ATOM 0 HB2 HIS B 56 11.317 -3.039 -8.720 1.00 13.31 H new ATOM 0 HB3 HIS B 56 11.182 -2.801 -6.989 1.00 13.31 H new ATOM 0 HD2 HIS B 56 13.376 -1.354 -5.811 1.00 74.33 H new ATOM 0 HE1 HIS B 56 14.960 -0.085 -9.527 1.00 31.33 H new ATOM 0 HE2 HIS B 56 15.042 0.247 -7.006 1.00 43.43 H new ATOM 2705 N PHE B 57 12.258 -4.798 -5.163 1.00 33.31 N ATOM 2706 CA PHE B 57 12.743 -4.948 -3.804 1.00 4.50 C ATOM 2707 C PHE B 57 13.211 -6.371 -3.507 1.00 55.32 C ATOM 2708 O PHE B 57 14.027 -6.598 -2.622 1.00 54.42 O ATOM 2709 CB PHE B 57 11.752 -4.419 -2.776 1.00 14.23 C ATOM 2710 CG PHE B 57 11.716 -2.918 -2.725 1.00 54.23 C ATOM 2711 CD1 PHE B 57 12.730 -2.241 -2.100 1.00 62.24 C ATOM 2712 CD2 PHE B 57 10.692 -2.191 -3.302 1.00 74.43 C ATOM 2713 CE1 PHE B 57 12.737 -0.865 -2.039 1.00 1.33 C ATOM 2714 CE2 PHE B 57 10.695 -0.809 -3.244 1.00 2.31 C ATOM 2715 CZ PHE B 57 11.721 -0.152 -2.611 1.00 60.34 C ATOM 0 H PHE B 57 11.243 -4.854 -5.252 1.00 33.31 H new ATOM 0 HA PHE B 57 13.629 -4.320 -3.716 1.00 4.50 H new ATOM 0 HB2 PHE B 57 10.756 -4.795 -3.011 1.00 14.23 H new ATOM 0 HB3 PHE B 57 12.015 -4.806 -1.791 1.00 14.23 H new ATOM 0 HD1 PHE B 57 13.538 -2.796 -1.647 1.00 62.24 H new ATOM 0 HD2 PHE B 57 9.884 -2.705 -3.801 1.00 74.43 H new ATOM 0 HE1 PHE B 57 13.544 -0.350 -1.540 1.00 1.33 H new ATOM 0 HE2 PHE B 57 9.891 -0.247 -3.696 1.00 2.31 H new ATOM 0 HZ PHE B 57 11.725 0.927 -2.565 1.00 60.34 H new ATOM 2725 N SER B 58 12.717 -7.310 -4.286 1.00 35.00 N ATOM 2726 CA SER B 58 13.021 -8.725 -4.122 1.00 51.32 C ATOM 2727 C SER B 58 14.441 -8.975 -4.537 1.00 32.33 C ATOM 2728 O SER B 58 15.073 -9.944 -4.108 1.00 53.11 O ATOM 2729 CB SER B 58 12.079 -9.598 -4.955 1.00 65.43 C ATOM 2730 OG SER B 58 12.288 -10.992 -4.715 1.00 41.13 O ATOM 0 H SER B 58 12.085 -7.115 -5.062 1.00 35.00 H new ATOM 0 HA SER B 58 12.884 -8.989 -3.073 1.00 51.32 H new ATOM 0 HB2 SER B 58 11.046 -9.341 -4.722 1.00 65.43 H new ATOM 0 HB3 SER B 58 12.229 -9.386 -6.014 1.00 65.43 H new ATOM 0 HG SER B 58 11.667 -11.515 -5.264 1.00 41.13 H new ATOM 2736 N SER B 59 14.956 -8.100 -5.380 1.00 21.23 N ATOM 2737 CA SER B 59 16.323 -8.177 -5.786 1.00 74.41 C ATOM 2738 C SER B 59 17.248 -7.948 -4.563 1.00 22.32 C ATOM 2739 O SER B 59 18.417 -8.310 -4.588 1.00 13.45 O ATOM 2740 CB SER B 59 16.585 -7.133 -6.878 1.00 71.45 C ATOM 2741 OG SER B 59 15.693 -7.321 -7.991 1.00 22.30 O ATOM 0 H SER B 59 14.434 -7.327 -5.793 1.00 21.23 H new ATOM 0 HA SER B 59 16.536 -9.166 -6.191 1.00 74.41 H new ATOM 0 HB2 SER B 59 16.456 -6.131 -6.468 1.00 71.45 H new ATOM 0 HB3 SER B 59 17.618 -7.207 -7.218 1.00 71.45 H new ATOM 0 HG SER B 59 14.774 -7.131 -7.709 1.00 22.30 H new ATOM 2747 N CYS B 60 16.694 -7.353 -3.501 1.00 21.30 N ATOM 2748 CA CYS B 60 17.437 -7.079 -2.284 1.00 54.43 C ATOM 2749 C CYS B 60 17.019 -8.024 -1.120 1.00 13.21 C ATOM 2750 O CYS B 60 17.448 -7.830 0.027 1.00 74.44 O ATOM 2751 CB CYS B 60 17.175 -5.628 -1.880 1.00 63.23 C ATOM 2752 SG CYS B 60 17.514 -4.431 -3.193 1.00 15.52 S ATOM 0 H CYS B 60 15.720 -7.052 -3.469 1.00 21.30 H new ATOM 0 HA CYS B 60 18.496 -7.250 -2.478 1.00 54.43 H new ATOM 0 HB2 CYS B 60 16.134 -5.529 -1.571 1.00 63.23 H new ATOM 0 HB3 CYS B 60 17.789 -5.386 -1.013 1.00 63.23 H new ATOM 0 HG CYS B 60 17.262 -3.231 -2.762 1.00 15.52 H new ATOM 2758 N GLY B 61 16.228 -9.057 -1.418 1.00 72.34 N ATOM 2759 CA GLY B 61 15.777 -9.955 -0.350 1.00 2.41 C ATOM 2760 C GLY B 61 14.392 -10.556 -0.571 1.00 0.14 C ATOM 2761 O GLY B 61 13.827 -10.455 -1.656 1.00 33.11 O ATOM 0 H GLY B 61 15.896 -9.289 -2.354 1.00 72.34 H new ATOM 0 HA2 GLY B 61 16.498 -10.765 -0.245 1.00 2.41 H new ATOM 0 HA3 GLY B 61 15.775 -9.406 0.592 1.00 2.41 H new ATOM 2765 N SER B 62 13.850 -11.176 0.464 1.00 11.44 N ATOM 2766 CA SER B 62 12.553 -11.809 0.394 1.00 1.00 C ATOM 2767 C SER B 62 11.513 -10.989 1.166 1.00 55.31 C ATOM 2768 O SER B 62 11.711 -10.627 2.341 1.00 25.33 O ATOM 2769 CB SER B 62 12.627 -13.276 0.882 1.00 25.52 C ATOM 2770 OG SER B 62 13.170 -13.380 2.200 1.00 14.23 O ATOM 0 H SER B 62 14.301 -11.252 1.376 1.00 11.44 H new ATOM 0 HA SER B 62 12.232 -11.839 -0.647 1.00 1.00 H new ATOM 0 HB2 SER B 62 11.629 -13.713 0.867 1.00 25.52 H new ATOM 0 HB3 SER B 62 13.239 -13.856 0.192 1.00 25.52 H new ATOM 0 HG SER B 62 13.197 -14.322 2.469 1.00 14.23 H new ATOM 2776 N ILE B 63 10.446 -10.672 0.495 1.00 51.30 N ATOM 2777 CA ILE B 63 9.397 -9.829 1.027 1.00 25.00 C ATOM 2778 C ILE B 63 8.278 -10.629 1.745 1.00 12.55 C ATOM 2779 O ILE B 63 7.824 -11.660 1.256 1.00 43.23 O ATOM 2780 CB ILE B 63 8.823 -8.976 -0.125 1.00 23.41 C ATOM 2781 CG1 ILE B 63 9.940 -8.082 -0.693 1.00 54.25 C ATOM 2782 CG2 ILE B 63 7.643 -8.148 0.331 1.00 55.51 C ATOM 2783 CD1 ILE B 63 9.542 -7.247 -1.879 1.00 72.51 C ATOM 0 H ILE B 63 10.269 -10.994 -0.457 1.00 51.30 H new ATOM 0 HA ILE B 63 9.830 -9.186 1.793 1.00 25.00 H new ATOM 0 HB ILE B 63 8.457 -9.640 -0.908 1.00 23.41 H new ATOM 0 HG12 ILE B 63 10.292 -7.419 0.098 1.00 54.25 H new ATOM 0 HG13 ILE B 63 10.781 -8.714 -0.978 1.00 54.25 H new ATOM 0 HG21 ILE B 63 7.265 -7.561 -0.506 1.00 55.51 H new ATOM 0 HG22 ILE B 63 6.856 -8.807 0.696 1.00 55.51 H new ATOM 0 HG23 ILE B 63 7.956 -7.478 1.132 1.00 55.51 H new ATOM 0 HD11 ILE B 63 10.394 -6.652 -2.208 1.00 72.51 H new ATOM 0 HD12 ILE B 63 9.220 -7.899 -2.691 1.00 72.51 H new ATOM 0 HD13 ILE B 63 8.723 -6.584 -1.599 1.00 72.51 H new ATOM 2795 N ASN B 64 7.861 -10.140 2.926 1.00 72.40 N ATOM 2796 CA ASN B 64 6.761 -10.763 3.693 1.00 3.34 C ATOM 2797 C ASN B 64 5.460 -10.120 3.355 1.00 52.51 C ATOM 2798 O ASN B 64 4.463 -10.785 3.242 1.00 5.21 O ATOM 2799 CB ASN B 64 6.908 -10.676 5.238 1.00 30.32 C ATOM 2800 CG ASN B 64 8.019 -11.488 5.855 1.00 34.31 C ATOM 2801 OD1 ASN B 64 9.133 -11.505 5.269 1.00 44.45 O flip ATOM 2802 ND2 ASN B 64 7.865 -12.031 6.924 1.00 40.11 N flip ATOM 0 H ASN B 64 8.266 -9.317 3.372 1.00 72.40 H new ATOM 0 HA ASN B 64 6.801 -11.814 3.406 1.00 3.34 H new ATOM 0 HB2 ASN B 64 7.059 -9.631 5.508 1.00 30.32 H new ATOM 0 HB3 ASN B 64 5.966 -10.989 5.688 1.00 30.32 H new ATOM 0 HD21 ASN B 64 6.954 -12.006 7.382 1.00 40.11 H new ATOM 0 HD22 ASN B 64 8.646 -12.515 7.368 1.00 40.11 H new ATOM 2809 N ARG B 65 5.477 -8.816 3.210 1.00 55.12 N ATOM 2810 CA ARG B 65 4.275 -8.039 2.926 1.00 70.31 C ATOM 2811 C ARG B 65 4.640 -6.767 2.233 1.00 34.31 C ATOM 2812 O ARG B 65 5.779 -6.338 2.294 1.00 62.21 O ATOM 2813 CB ARG B 65 3.500 -7.638 4.198 1.00 2.21 C ATOM 2814 CG ARG B 65 2.888 -8.747 5.030 1.00 61.11 C ATOM 2815 CD ARG B 65 2.007 -8.138 6.099 1.00 44.44 C ATOM 2816 NE ARG B 65 1.158 -9.130 6.767 1.00 3.25 N ATOM 2817 CZ ARG B 65 -0.141 -8.928 7.032 1.00 25.05 C ATOM 2818 NH1 ARG B 65 -0.716 -7.774 6.695 1.00 43.01 N ATOM 2819 NH2 ARG B 65 -0.874 -9.881 7.621 1.00 62.33 N ATOM 0 H ARG B 65 6.325 -8.254 3.284 1.00 55.12 H new ATOM 0 HA ARG B 65 3.647 -8.682 2.309 1.00 70.31 H new ATOM 0 HB2 ARG B 65 4.177 -7.073 4.839 1.00 2.21 H new ATOM 0 HB3 ARG B 65 2.700 -6.960 3.903 1.00 2.21 H new ATOM 0 HG2 ARG B 65 2.303 -9.413 4.396 1.00 61.11 H new ATOM 0 HG3 ARG B 65 3.672 -9.350 5.488 1.00 61.11 H new ATOM 0 HD2 ARG B 65 2.633 -7.643 6.841 1.00 44.44 H new ATOM 0 HD3 ARG B 65 1.377 -7.370 5.650 1.00 44.44 H new ATOM 0 HE ARG B 65 1.577 -10.018 7.044 1.00 3.25 H new ATOM 0 HH11 ARG B 65 -0.168 -7.046 6.236 1.00 43.01 H new ATOM 0 HH12 ARG B 65 -1.704 -7.619 6.896 1.00 43.01 H new ATOM 0 HH21 ARG B 65 -0.445 -10.772 7.873 1.00 62.33 H new ATOM 0 HH22 ARG B 65 -1.861 -9.716 7.818 1.00 62.33 H new ATOM 2833 N ILE B 66 3.671 -6.170 1.586 1.00 63.33 N ATOM 2834 CA ILE B 66 3.803 -4.858 1.000 1.00 61.43 C ATOM 2835 C ILE B 66 2.458 -4.191 1.088 1.00 35.35 C ATOM 2836 O ILE B 66 1.446 -4.847 0.980 1.00 64.43 O ATOM 2837 CB ILE B 66 4.327 -4.802 -0.491 1.00 1.51 C ATOM 2838 CG1 ILE B 66 3.376 -5.425 -1.489 1.00 74.10 C ATOM 2839 CG2 ILE B 66 5.685 -5.434 -0.633 1.00 42.43 C ATOM 2840 CD1 ILE B 66 3.899 -5.356 -2.912 1.00 34.24 C ATOM 0 H ILE B 66 2.751 -6.589 1.449 1.00 63.33 H new ATOM 0 HA ILE B 66 4.580 -4.347 1.568 1.00 61.43 H new ATOM 0 HB ILE B 66 4.397 -3.739 -0.722 1.00 1.51 H new ATOM 0 HG12 ILE B 66 3.203 -6.467 -1.219 1.00 74.10 H new ATOM 0 HG13 ILE B 66 2.413 -4.917 -1.434 1.00 74.10 H new ATOM 0 HG21 ILE B 66 6.007 -5.374 -1.673 1.00 42.43 H new ATOM 0 HG22 ILE B 66 6.399 -4.907 -0.001 1.00 42.43 H new ATOM 0 HG23 ILE B 66 5.633 -6.479 -0.329 1.00 42.43 H new ATOM 0 HD11 ILE B 66 3.178 -5.817 -3.587 1.00 34.24 H new ATOM 0 HD12 ILE B 66 4.047 -4.314 -3.195 1.00 34.24 H new ATOM 0 HD13 ILE B 66 4.848 -5.888 -2.977 1.00 34.24 H new ATOM 2852 N THR B 67 2.461 -2.935 1.328 1.00 65.31 N ATOM 2853 CA THR B 67 1.264 -2.140 1.448 1.00 61.25 C ATOM 2854 C THR B 67 1.404 -0.995 0.479 1.00 63.23 C ATOM 2855 O THR B 67 2.375 -0.289 0.530 1.00 64.43 O ATOM 2856 CB THR B 67 1.146 -1.599 2.895 1.00 52.15 C ATOM 2857 OG1 THR B 67 1.164 -2.704 3.823 1.00 42.44 O ATOM 2858 CG2 THR B 67 -0.122 -0.775 3.091 1.00 3.14 C ATOM 0 H THR B 67 3.319 -2.398 1.454 1.00 65.31 H new ATOM 0 HA THR B 67 0.372 -2.727 1.229 1.00 61.25 H new ATOM 0 HB THR B 67 1.996 -0.942 3.081 1.00 52.15 H new ATOM 0 HG1 THR B 67 1.091 -2.363 4.739 1.00 42.44 H new ATOM 0 HG21 THR B 67 -0.166 -0.414 4.119 1.00 3.14 H new ATOM 0 HG22 THR B 67 -0.113 0.075 2.408 1.00 3.14 H new ATOM 0 HG23 THR B 67 -0.994 -1.396 2.886 1.00 3.14 H new ATOM 2866 N ILE B 68 0.470 -0.817 -0.398 1.00 12.34 N ATOM 2867 CA ILE B 68 0.583 0.230 -1.373 1.00 42.02 C ATOM 2868 C ILE B 68 -0.651 1.082 -1.246 1.00 52.02 C ATOM 2869 O ILE B 68 -1.758 0.573 -1.380 1.00 71.11 O ATOM 2870 CB ILE B 68 0.643 -0.276 -2.867 1.00 32.31 C ATOM 2871 CG1 ILE B 68 1.601 -1.469 -3.096 1.00 5.13 C ATOM 2872 CG2 ILE B 68 1.038 0.866 -3.794 1.00 14.35 C ATOM 2873 CD1 ILE B 68 1.042 -2.809 -2.683 1.00 63.11 C ATOM 0 H ILE B 68 -0.379 -1.379 -0.463 1.00 12.34 H new ATOM 0 HA ILE B 68 1.517 0.755 -1.175 1.00 42.02 H new ATOM 0 HB ILE B 68 -0.361 -0.634 -3.094 1.00 32.31 H new ATOM 0 HG12 ILE B 68 1.864 -1.510 -4.153 1.00 5.13 H new ATOM 0 HG13 ILE B 68 2.524 -1.289 -2.544 1.00 5.13 H new ATOM 0 HG21 ILE B 68 1.076 0.504 -4.821 1.00 14.35 H new ATOM 0 HG22 ILE B 68 0.303 1.667 -3.718 1.00 14.35 H new ATOM 0 HG23 ILE B 68 2.019 1.245 -3.507 1.00 14.35 H new ATOM 0 HD11 ILE B 68 1.780 -3.587 -2.879 1.00 63.11 H new ATOM 0 HD12 ILE B 68 0.806 -2.792 -1.619 1.00 63.11 H new ATOM 0 HD13 ILE B 68 0.136 -3.017 -3.253 1.00 63.11 H new ATOM 2885 N LEU B 69 -0.488 2.332 -0.954 1.00 51.41 N ATOM 2886 CA LEU B 69 -1.625 3.206 -0.879 1.00 1.02 C ATOM 2887 C LEU B 69 -1.508 4.345 -1.855 1.00 33.43 C ATOM 2888 O LEU B 69 -0.492 5.036 -1.891 1.00 14.31 O ATOM 2889 CB LEU B 69 -2.025 3.661 0.546 1.00 0.15 C ATOM 2890 CG LEU B 69 -1.004 4.390 1.444 1.00 54.02 C ATOM 2891 CD1 LEU B 69 -1.734 4.981 2.633 1.00 54.23 C ATOM 2892 CD2 LEU B 69 0.086 3.426 1.945 1.00 32.54 C ATOM 0 H LEU B 69 0.412 2.773 -0.764 1.00 51.41 H new ATOM 0 HA LEU B 69 -2.473 2.592 -1.183 1.00 1.02 H new ATOM 0 HB2 LEU B 69 -2.891 4.315 0.445 1.00 0.15 H new ATOM 0 HB3 LEU B 69 -2.356 2.775 1.087 1.00 0.15 H new ATOM 0 HG LEU B 69 -0.522 5.174 0.860 1.00 54.02 H new ATOM 0 HD11 LEU B 69 -1.023 5.499 3.276 1.00 54.23 H new ATOM 0 HD12 LEU B 69 -2.488 5.686 2.283 1.00 54.23 H new ATOM 0 HD13 LEU B 69 -2.218 4.183 3.196 1.00 54.23 H new ATOM 0 HD21 LEU B 69 0.790 3.969 2.575 1.00 32.54 H new ATOM 0 HD22 LEU B 69 -0.375 2.625 2.523 1.00 32.54 H new ATOM 0 HD23 LEU B 69 0.615 3.000 1.092 1.00 32.54 H new ATOM 2904 N CYS B 70 -2.528 4.526 -2.644 1.00 21.11 N ATOM 2905 CA CYS B 70 -2.553 5.536 -3.677 1.00 72.31 C ATOM 2906 C CYS B 70 -3.651 6.540 -3.364 1.00 52.12 C ATOM 2907 O CYS B 70 -4.772 6.132 -3.006 1.00 73.40 O ATOM 2908 CB CYS B 70 -2.824 4.839 -5.005 1.00 32.10 C ATOM 2909 SG CYS B 70 -1.593 3.580 -5.406 1.00 44.44 S ATOM 0 H CYS B 70 -3.382 3.970 -2.591 1.00 21.11 H new ATOM 0 HA CYS B 70 -1.604 6.069 -3.730 1.00 72.31 H new ATOM 0 HB2 CYS B 70 -3.811 4.377 -4.972 1.00 32.10 H new ATOM 0 HB3 CYS B 70 -2.847 5.583 -5.801 1.00 32.10 H new ATOM 0 HG CYS B 70 -0.868 3.985 -6.406 1.00 44.44 H new ATOM 2915 N ASP B 71 -3.370 7.839 -3.463 1.00 52.15 N ATOM 2916 CA ASP B 71 -4.394 8.807 -3.091 1.00 24.13 C ATOM 2917 C ASP B 71 -4.798 9.721 -4.222 1.00 44.30 C ATOM 2918 O ASP B 71 -3.970 10.179 -4.989 1.00 61.04 O ATOM 2919 CB ASP B 71 -3.972 9.659 -1.880 1.00 71.43 C ATOM 2920 CG ASP B 71 -2.982 10.765 -2.206 1.00 11.52 C ATOM 2921 OD1 ASP B 71 -1.908 10.494 -2.698 1.00 12.12 O ATOM 2922 OD2 ASP B 71 -3.287 11.933 -1.932 1.00 64.41 O ATOM 0 H ASP B 71 -2.484 8.230 -3.782 1.00 52.15 H new ATOM 0 HA ASP B 71 -5.261 8.202 -2.824 1.00 24.13 H new ATOM 0 HB2 ASP B 71 -4.862 10.104 -1.436 1.00 71.43 H new ATOM 0 HB3 ASP B 71 -3.533 9.005 -1.126 1.00 71.43 H new ATOM 2927 N LYS B 72 -6.099 9.954 -4.334 1.00 65.13 N ATOM 2928 CA LYS B 72 -6.624 10.945 -5.254 1.00 62.22 C ATOM 2929 C LYS B 72 -7.062 12.179 -4.483 1.00 73.45 C ATOM 2930 O LYS B 72 -7.677 13.098 -5.025 1.00 63.12 O ATOM 2931 CB LYS B 72 -7.768 10.391 -6.107 1.00 2.41 C ATOM 2932 CG LYS B 72 -7.336 9.281 -7.042 1.00 54.51 C ATOM 2933 CD LYS B 72 -8.468 8.823 -7.934 1.00 71.55 C ATOM 2934 CE LYS B 72 -8.001 7.736 -8.882 1.00 44.53 C ATOM 2935 NZ LYS B 72 -9.074 7.291 -9.790 1.00 14.42 N ATOM 0 H LYS B 72 -6.812 9.464 -3.793 1.00 65.13 H new ATOM 0 HA LYS B 72 -5.827 11.221 -5.945 1.00 62.22 H new ATOM 0 HB2 LYS B 72 -8.554 10.018 -5.450 1.00 2.41 H new ATOM 0 HB3 LYS B 72 -8.201 11.202 -6.693 1.00 2.41 H new ATOM 0 HG2 LYS B 72 -6.506 9.627 -7.658 1.00 54.51 H new ATOM 0 HG3 LYS B 72 -6.969 8.437 -6.458 1.00 54.51 H new ATOM 0 HD2 LYS B 72 -9.290 8.450 -7.323 1.00 71.55 H new ATOM 0 HD3 LYS B 72 -8.852 9.669 -8.504 1.00 71.55 H new ATOM 0 HE2 LYS B 72 -7.160 8.105 -9.469 1.00 44.53 H new ATOM 0 HE3 LYS B 72 -7.638 6.885 -8.306 1.00 44.53 H new ATOM 0 HZ1 LYS B 72 -8.685 6.623 -10.486 1.00 14.42 H new ATOM 0 HZ2 LYS B 72 -9.822 6.822 -9.240 1.00 14.42 H new ATOM 0 HZ3 LYS B 72 -9.473 8.114 -10.286 1.00 14.42 H new ATOM 2949 N PHE B 73 -6.694 12.210 -3.203 1.00 14.42 N ATOM 2950 CA PHE B 73 -6.949 13.359 -2.328 1.00 54.02 C ATOM 2951 C PHE B 73 -6.047 14.525 -2.641 1.00 25.31 C ATOM 2952 O PHE B 73 -6.145 15.600 -2.044 1.00 64.00 O ATOM 2953 CB PHE B 73 -6.880 12.975 -0.855 1.00 32.01 C ATOM 2954 CG PHE B 73 -8.165 12.453 -0.342 1.00 11.45 C ATOM 2955 CD1 PHE B 73 -9.203 13.331 -0.089 1.00 22.02 C ATOM 2956 CD2 PHE B 73 -8.350 11.116 -0.109 1.00 73.53 C ATOM 2957 CE1 PHE B 73 -10.405 12.881 0.384 1.00 1.11 C ATOM 2958 CE2 PHE B 73 -9.553 10.655 0.368 1.00 70.25 C ATOM 2959 CZ PHE B 73 -10.581 11.545 0.612 1.00 61.01 C ATOM 0 H PHE B 73 -6.210 11.440 -2.741 1.00 14.42 H new ATOM 0 HA PHE B 73 -7.969 13.686 -2.531 1.00 54.02 H new ATOM 0 HB2 PHE B 73 -6.105 12.222 -0.716 1.00 32.01 H new ATOM 0 HB3 PHE B 73 -6.587 13.846 -0.270 1.00 32.01 H new ATOM 0 HD1 PHE B 73 -9.063 14.387 -0.267 1.00 22.02 H new ATOM 0 HD2 PHE B 73 -7.546 10.421 -0.301 1.00 73.53 H new ATOM 0 HE1 PHE B 73 -11.209 13.576 0.576 1.00 1.11 H new ATOM 0 HE2 PHE B 73 -9.695 9.600 0.552 1.00 70.25 H new ATOM 0 HZ PHE B 73 -11.528 11.183 0.985 1.00 61.01 H new ATOM 2969 N SER B 74 -5.190 14.304 -3.571 1.00 5.02 N ATOM 2970 CA SER B 74 -4.316 15.309 -4.049 1.00 14.32 C ATOM 2971 C SER B 74 -4.723 15.677 -5.480 1.00 43.35 C ATOM 2972 O SER B 74 -3.991 16.333 -6.186 1.00 13.34 O ATOM 2973 CB SER B 74 -2.900 14.773 -4.000 1.00 64.13 C ATOM 2974 OG SER B 74 -2.594 14.332 -2.674 1.00 60.41 O ATOM 0 H SER B 74 -5.075 13.400 -4.030 1.00 5.02 H new ATOM 0 HA SER B 74 -4.372 16.207 -3.434 1.00 14.32 H new ATOM 0 HB2 SER B 74 -2.790 13.947 -4.702 1.00 64.13 H new ATOM 0 HB3 SER B 74 -2.197 15.548 -4.307 1.00 64.13 H new ATOM 0 HG SER B 74 -3.054 13.485 -2.497 1.00 60.41 H new ATOM 2980 N GLY B 75 -5.920 15.226 -5.890 1.00 52.04 N ATOM 2981 CA GLY B 75 -6.428 15.482 -7.237 1.00 72.41 C ATOM 2982 C GLY B 75 -5.879 14.471 -8.217 1.00 3.12 C ATOM 2983 O GLY B 75 -6.617 13.764 -8.904 1.00 73.55 O ATOM 0 H GLY B 75 -6.551 14.682 -5.302 1.00 52.04 H new ATOM 0 HA2 GLY B 75 -7.517 15.439 -7.234 1.00 72.41 H new ATOM 0 HA3 GLY B 75 -6.150 16.488 -7.551 1.00 72.41 H new ATOM 2987 N HIS B 76 -4.593 14.407 -8.247 1.00 30.45 N ATOM 2988 CA HIS B 76 -3.887 13.447 -9.045 1.00 13.43 C ATOM 2989 C HIS B 76 -3.517 12.286 -8.180 1.00 14.13 C ATOM 2990 O HIS B 76 -3.111 12.482 -7.033 1.00 0.34 O ATOM 2991 CB HIS B 76 -2.692 14.038 -9.788 1.00 72.30 C ATOM 2992 CG HIS B 76 -3.104 14.904 -10.932 1.00 12.13 C ATOM 2993 ND1 HIS B 76 -3.052 16.268 -10.909 1.00 41.24 N ATOM 2994 CD2 HIS B 76 -3.603 14.573 -12.148 1.00 52.23 C ATOM 2995 CE1 HIS B 76 -3.496 16.743 -12.052 1.00 43.12 C ATOM 2996 NE2 HIS B 76 -3.839 15.737 -12.822 1.00 15.25 N ATOM 0 H HIS B 76 -3.986 15.027 -7.711 1.00 30.45 H new ATOM 0 HA HIS B 76 -4.548 13.104 -9.841 1.00 13.43 H new ATOM 0 HB2 HIS B 76 -2.088 14.622 -9.093 1.00 72.30 H new ATOM 0 HB3 HIS B 76 -2.061 13.229 -10.157 1.00 72.30 H new ATOM 0 HD2 HIS B 76 -3.781 13.573 -12.516 1.00 52.23 H new ATOM 0 HE1 HIS B 76 -3.567 17.788 -12.314 1.00 43.12 H new ATOM 0 HE2 HIS B 76 -4.218 15.812 -13.766 1.00 15.25 H new ATOM 3005 N PRO B 77 -3.692 11.063 -8.672 1.00 43.40 N ATOM 3006 CA PRO B 77 -3.393 9.881 -7.891 1.00 1.51 C ATOM 3007 C PRO B 77 -1.912 9.716 -7.673 1.00 15.45 C ATOM 3008 O PRO B 77 -1.140 9.576 -8.617 1.00 61.20 O ATOM 3009 CB PRO B 77 -3.944 8.740 -8.735 1.00 44.22 C ATOM 3010 CG PRO B 77 -3.932 9.268 -10.136 1.00 24.23 C ATOM 3011 CD PRO B 77 -4.189 10.736 -10.022 1.00 11.04 C ATOM 0 HA PRO B 77 -3.829 9.926 -6.893 1.00 1.51 H new ATOM 0 HB2 PRO B 77 -3.328 7.845 -8.643 1.00 44.22 H new ATOM 0 HB3 PRO B 77 -4.952 8.467 -8.423 1.00 44.22 H new ATOM 0 HG2 PRO B 77 -2.973 9.075 -10.618 1.00 24.23 H new ATOM 0 HG3 PRO B 77 -4.697 8.783 -10.743 1.00 24.23 H new ATOM 0 HD2 PRO B 77 -3.661 11.298 -10.792 1.00 11.04 H new ATOM 0 HD3 PRO B 77 -5.249 10.968 -10.128 1.00 11.04 H new ATOM 3019 N LYS B 78 -1.530 9.747 -6.444 1.00 64.42 N ATOM 3020 CA LYS B 78 -0.157 9.576 -6.053 1.00 11.44 C ATOM 3021 C LYS B 78 -0.069 8.271 -5.322 1.00 21.12 C ATOM 3022 O LYS B 78 -0.953 7.421 -5.476 1.00 30.43 O ATOM 3023 CB LYS B 78 0.261 10.678 -5.085 1.00 24.23 C ATOM 3024 CG LYS B 78 -0.110 12.094 -5.496 1.00 31.34 C ATOM 3025 CD LYS B 78 0.716 13.138 -4.736 1.00 51.52 C ATOM 3026 CE LYS B 78 0.856 12.821 -3.251 1.00 71.23 C ATOM 3027 NZ LYS B 78 -0.415 12.724 -2.516 1.00 72.32 N ATOM 0 H LYS B 78 -2.167 9.894 -5.661 1.00 64.42 H new ATOM 0 HA LYS B 78 0.486 9.606 -6.932 1.00 11.44 H new ATOM 0 HB2 LYS B 78 -0.188 10.472 -4.113 1.00 24.23 H new ATOM 0 HB3 LYS B 78 1.342 10.629 -4.953 1.00 24.23 H new ATOM 0 HG2 LYS B 78 0.047 12.215 -6.568 1.00 31.34 H new ATOM 0 HG3 LYS B 78 -1.171 12.262 -5.308 1.00 31.34 H new ATOM 0 HD2 LYS B 78 1.708 13.204 -5.183 1.00 51.52 H new ATOM 0 HD3 LYS B 78 0.249 14.116 -4.851 1.00 51.52 H new ATOM 0 HE2 LYS B 78 1.393 11.879 -3.145 1.00 71.23 H new ATOM 0 HE3 LYS B 78 1.470 13.592 -2.786 1.00 71.23 H new ATOM 0 HZ1 LYS B 78 -0.267 13.012 -1.528 1.00 72.32 H new ATOM 0 HZ2 LYS B 78 -1.120 13.349 -2.957 1.00 72.32 H new ATOM 0 HZ3 LYS B 78 -0.758 11.742 -2.543 1.00 72.32 H new ATOM 3041 N GLY B 79 0.941 8.111 -4.499 1.00 62.02 N ATOM 3042 CA GLY B 79 1.055 6.904 -3.782 1.00 30.54 C ATOM 3043 C GLY B 79 2.338 6.755 -3.033 1.00 15.02 C ATOM 3044 O GLY B 79 3.361 7.396 -3.346 1.00 61.01 O ATOM 0 H GLY B 79 1.673 8.799 -4.324 1.00 62.02 H new ATOM 0 HA2 GLY B 79 0.226 6.833 -3.078 1.00 30.54 H new ATOM 0 HA3 GLY B 79 0.955 6.071 -4.477 1.00 30.54 H new ATOM 3048 N TYR B 80 2.269 5.903 -2.062 1.00 62.44 N ATOM 3049 CA TYR B 80 3.354 5.523 -1.214 1.00 15.24 C ATOM 3050 C TYR B 80 3.155 4.100 -0.766 1.00 0.24 C ATOM 3051 O TYR B 80 2.020 3.656 -0.582 1.00 4.24 O ATOM 3052 CB TYR B 80 3.652 6.546 -0.056 1.00 72.22 C ATOM 3053 CG TYR B 80 2.447 7.133 0.708 1.00 52.13 C ATOM 3054 CD1 TYR B 80 1.661 8.105 0.112 1.00 10.33 C ATOM 3055 CD2 TYR B 80 2.126 6.755 2.023 1.00 10.41 C ATOM 3056 CE1 TYR B 80 0.596 8.682 0.762 1.00 54.24 C ATOM 3057 CE2 TYR B 80 1.032 7.350 2.698 1.00 62.21 C ATOM 3058 CZ TYR B 80 0.281 8.312 2.037 1.00 71.24 C ATOM 3059 OH TYR B 80 -0.815 8.897 2.653 1.00 3.21 O ATOM 0 H TYR B 80 1.400 5.424 -1.825 1.00 62.44 H new ATOM 0 HA TYR B 80 4.277 5.562 -1.792 1.00 15.24 H new ATOM 0 HB2 TYR B 80 4.301 6.054 0.668 1.00 72.22 H new ATOM 0 HB3 TYR B 80 4.218 7.376 -0.479 1.00 72.22 H new ATOM 0 HD1 TYR B 80 1.892 8.420 -0.895 1.00 10.33 H new ATOM 0 HD2 TYR B 80 2.719 6.004 2.524 1.00 10.41 H new ATOM 0 HE1 TYR B 80 0.005 9.433 0.260 1.00 54.24 H new ATOM 0 HE2 TYR B 80 0.787 7.060 3.709 1.00 62.21 H new ATOM 0 HH TYR B 80 -0.915 8.533 3.557 1.00 3.21 H new ATOM 3069 N ALA B 81 4.223 3.376 -0.638 1.00 42.01 N ATOM 3070 CA ALA B 81 4.140 1.973 -0.372 1.00 44.14 C ATOM 3071 C ALA B 81 5.075 1.549 0.734 1.00 64.33 C ATOM 3072 O ALA B 81 6.092 2.152 0.942 1.00 51.25 O ATOM 3073 CB ALA B 81 4.422 1.179 -1.641 1.00 62.42 C ATOM 0 H ALA B 81 5.173 3.738 -0.714 1.00 42.01 H new ATOM 0 HA ALA B 81 3.125 1.763 -0.035 1.00 44.14 H new ATOM 0 HB1 ALA B 81 4.356 0.113 -1.425 1.00 62.42 H new ATOM 0 HB2 ALA B 81 3.689 1.441 -2.404 1.00 62.42 H new ATOM 0 HB3 ALA B 81 5.423 1.415 -2.003 1.00 62.42 H new ATOM 3079 N TYR B 82 4.704 0.542 1.443 1.00 64.43 N ATOM 3080 CA TYR B 82 5.504 -0.023 2.493 1.00 42.01 C ATOM 3081 C TYR B 82 5.866 -1.436 2.190 1.00 32.13 C ATOM 3082 O TYR B 82 4.998 -2.267 1.996 1.00 32.41 O ATOM 3083 CB TYR B 82 4.792 0.094 3.829 1.00 42.23 C ATOM 3084 CG TYR B 82 4.977 1.431 4.441 1.00 24.42 C ATOM 3085 CD1 TYR B 82 4.307 2.548 3.975 1.00 21.12 C ATOM 3086 CD2 TYR B 82 5.869 1.580 5.472 1.00 44.32 C ATOM 3087 CE1 TYR B 82 4.534 3.773 4.538 1.00 14.40 C ATOM 3088 CE2 TYR B 82 6.108 2.786 6.028 1.00 42.42 C ATOM 3089 CZ TYR B 82 5.449 3.873 5.576 1.00 10.14 C ATOM 3090 OH TYR B 82 5.736 5.066 6.119 1.00 43.10 O ATOM 0 H TYR B 82 3.810 0.068 1.311 1.00 64.43 H new ATOM 0 HA TYR B 82 6.433 0.544 2.558 1.00 42.01 H new ATOM 0 HB2 TYR B 82 3.728 -0.097 3.691 1.00 42.23 H new ATOM 0 HB3 TYR B 82 5.168 -0.671 4.508 1.00 42.23 H new ATOM 0 HD1 TYR B 82 3.602 2.452 3.163 1.00 21.12 H new ATOM 0 HD2 TYR B 82 6.392 0.713 5.847 1.00 44.32 H new ATOM 0 HE1 TYR B 82 4.010 4.647 4.181 1.00 14.40 H new ATOM 0 HE2 TYR B 82 6.824 2.881 6.831 1.00 42.42 H new ATOM 0 HH TYR B 82 6.309 5.574 5.508 1.00 43.10 H new ATOM 3100 N ILE B 83 7.142 -1.705 2.115 1.00 64.40 N ATOM 3101 CA ILE B 83 7.625 -3.027 1.796 1.00 72.41 C ATOM 3102 C ILE B 83 8.186 -3.655 3.072 1.00 63.01 C ATOM 3103 O ILE B 83 9.050 -3.060 3.715 1.00 31.21 O ATOM 3104 CB ILE B 83 8.782 -2.948 0.759 1.00 63.33 C ATOM 3105 CG1 ILE B 83 8.428 -2.019 -0.428 1.00 74.33 C ATOM 3106 CG2 ILE B 83 9.140 -4.337 0.252 1.00 24.42 C ATOM 3107 CD1 ILE B 83 7.223 -2.428 -1.248 1.00 45.25 C ATOM 0 H ILE B 83 7.878 -1.016 2.273 1.00 64.40 H new ATOM 0 HA ILE B 83 6.805 -3.615 1.385 1.00 72.41 H new ATOM 0 HB ILE B 83 9.647 -2.521 1.267 1.00 63.33 H new ATOM 0 HG12 ILE B 83 8.256 -1.015 -0.040 1.00 74.33 H new ATOM 0 HG13 ILE B 83 9.292 -1.962 -1.090 1.00 74.33 H new ATOM 0 HG21 ILE B 83 9.951 -4.262 -0.472 1.00 24.42 H new ATOM 0 HG22 ILE B 83 9.457 -4.959 1.089 1.00 24.42 H new ATOM 0 HG23 ILE B 83 8.269 -4.786 -0.224 1.00 24.42 H new ATOM 0 HD11 ILE B 83 7.068 -1.707 -2.051 1.00 45.25 H new ATOM 0 HD12 ILE B 83 7.392 -3.416 -1.675 1.00 45.25 H new ATOM 0 HD13 ILE B 83 6.340 -2.455 -0.609 1.00 45.25 H new ATOM 3119 N GLU B 84 7.696 -4.814 3.447 1.00 52.20 N ATOM 3120 CA GLU B 84 8.165 -5.485 4.648 1.00 52.33 C ATOM 3121 C GLU B 84 8.992 -6.728 4.273 1.00 24.31 C ATOM 3122 O GLU B 84 8.482 -7.647 3.630 1.00 24.20 O ATOM 3123 CB GLU B 84 6.954 -5.852 5.531 1.00 1.11 C ATOM 3124 CG GLU B 84 6.043 -4.645 5.792 1.00 12.20 C ATOM 3125 CD GLU B 84 4.896 -4.898 6.733 1.00 50.42 C ATOM 3126 OE1 GLU B 84 3.809 -5.309 6.268 1.00 43.11 O ATOM 3127 OE2 GLU B 84 5.049 -4.614 7.928 1.00 32.12 O ATOM 0 H GLU B 84 6.969 -5.318 2.938 1.00 52.20 H new ATOM 0 HA GLU B 84 8.815 -4.819 5.216 1.00 52.33 H new ATOM 0 HB2 GLU B 84 6.379 -6.642 5.047 1.00 1.11 H new ATOM 0 HB3 GLU B 84 7.307 -6.252 6.482 1.00 1.11 H new ATOM 0 HG2 GLU B 84 6.649 -3.833 6.194 1.00 12.20 H new ATOM 0 HG3 GLU B 84 5.641 -4.301 4.839 1.00 12.20 H new ATOM 3134 N PHE B 85 10.258 -6.753 4.674 1.00 60.23 N ATOM 3135 CA PHE B 85 11.175 -7.842 4.313 1.00 74.24 C ATOM 3136 C PHE B 85 11.299 -8.891 5.414 1.00 14.21 C ATOM 3137 O PHE B 85 10.844 -8.691 6.540 1.00 12.30 O ATOM 3138 CB PHE B 85 12.572 -7.304 4.000 1.00 21.24 C ATOM 3139 CG PHE B 85 12.647 -6.378 2.830 1.00 72.43 C ATOM 3140 CD1 PHE B 85 12.815 -6.876 1.551 1.00 74.43 C ATOM 3141 CD2 PHE B 85 12.570 -5.010 3.006 1.00 45.53 C ATOM 3142 CE1 PHE B 85 12.904 -6.028 0.474 1.00 25.44 C ATOM 3143 CE2 PHE B 85 12.655 -4.161 1.933 1.00 63.23 C ATOM 3144 CZ PHE B 85 12.823 -4.667 0.667 1.00 14.51 C ATOM 0 H PHE B 85 10.681 -6.028 5.254 1.00 60.23 H new ATOM 0 HA PHE B 85 10.746 -8.312 3.429 1.00 74.24 H new ATOM 0 HB2 PHE B 85 12.950 -6.784 4.880 1.00 21.24 H new ATOM 0 HB3 PHE B 85 13.237 -8.148 3.819 1.00 21.24 H new ATOM 0 HD1 PHE B 85 12.877 -7.943 1.397 1.00 74.43 H new ATOM 0 HD2 PHE B 85 12.442 -4.605 3.999 1.00 45.53 H new ATOM 0 HE1 PHE B 85 13.037 -6.427 -0.521 1.00 25.44 H new ATOM 0 HE2 PHE B 85 12.590 -3.093 2.083 1.00 63.23 H new ATOM 0 HZ PHE B 85 12.892 -3.997 -0.177 1.00 14.51 H new ATOM 3154 N ALA B 86 11.885 -10.032 5.051 1.00 61.43 N ATOM 3155 CA ALA B 86 12.176 -11.114 5.993 1.00 44.32 C ATOM 3156 C ALA B 86 13.476 -10.887 6.747 1.00 41.12 C ATOM 3157 O ALA B 86 13.611 -11.298 7.895 1.00 21.31 O ATOM 3158 CB ALA B 86 12.242 -12.435 5.258 1.00 24.24 C ATOM 0 H ALA B 86 12.172 -10.233 4.093 1.00 61.43 H new ATOM 0 HA ALA B 86 11.368 -11.132 6.724 1.00 44.32 H new ATOM 0 HB1 ALA B 86 12.459 -13.235 5.966 1.00 24.24 H new ATOM 0 HB2 ALA B 86 11.286 -12.629 4.773 1.00 24.24 H new ATOM 0 HB3 ALA B 86 13.029 -12.394 4.505 1.00 24.24 H new ATOM 3164 N GLU B 87 14.439 -10.295 6.099 1.00 43.11 N ATOM 3165 CA GLU B 87 15.707 -10.014 6.744 1.00 42.14 C ATOM 3166 C GLU B 87 15.936 -8.528 6.879 1.00 1.41 C ATOM 3167 O GLU B 87 15.468 -7.735 6.054 1.00 11.20 O ATOM 3168 CB GLU B 87 16.850 -10.628 5.952 1.00 5.21 C ATOM 3169 CG GLU B 87 16.806 -12.134 5.859 1.00 63.10 C ATOM 3170 CD GLU B 87 17.860 -12.665 4.942 1.00 74.25 C ATOM 3171 OE1 GLU B 87 17.580 -12.776 3.721 1.00 44.11 O ATOM 3172 OE2 GLU B 87 18.968 -12.979 5.404 1.00 14.54 O ATOM 0 H GLU B 87 14.379 -9.995 5.126 1.00 43.11 H new ATOM 0 HA GLU B 87 15.674 -10.454 7.741 1.00 42.14 H new ATOM 0 HB2 GLU B 87 16.841 -10.213 4.944 1.00 5.21 H new ATOM 0 HB3 GLU B 87 17.794 -10.332 6.410 1.00 5.21 H new ATOM 0 HG2 GLU B 87 16.938 -12.563 6.852 1.00 63.10 H new ATOM 0 HG3 GLU B 87 15.824 -12.448 5.504 1.00 63.10 H new ATOM 3179 N ARG B 88 16.653 -8.148 7.911 1.00 60.41 N ATOM 3180 CA ARG B 88 17.019 -6.758 8.115 1.00 31.43 C ATOM 3181 C ARG B 88 18.081 -6.336 7.201 1.00 40.11 C ATOM 3182 O ARG B 88 18.194 -5.192 6.826 1.00 35.31 O ATOM 3183 CB ARG B 88 17.363 -6.475 9.528 1.00 71.12 C ATOM 3184 CG ARG B 88 16.152 -6.587 10.309 1.00 21.43 C ATOM 3185 CD ARG B 88 16.190 -5.858 11.576 1.00 53.22 C ATOM 3186 NE ARG B 88 16.803 -4.536 11.528 1.00 24.42 N ATOM 3187 CZ ARG B 88 16.803 -3.680 12.540 1.00 72.12 C ATOM 3188 NH1 ARG B 88 16.111 -3.952 13.644 1.00 15.14 N ATOM 3189 NH2 ARG B 88 17.479 -2.550 12.441 1.00 14.21 N ATOM 0 H ARG B 88 16.998 -8.784 8.629 1.00 60.41 H new ATOM 0 HA ARG B 88 16.138 -6.161 7.880 1.00 31.43 H new ATOM 0 HB2 ARG B 88 18.115 -7.178 9.886 1.00 71.12 H new ATOM 0 HB3 ARG B 88 17.789 -5.476 9.625 1.00 71.12 H new ATOM 0 HG2 ARG B 88 15.314 -6.220 9.716 1.00 21.43 H new ATOM 0 HG3 ARG B 88 15.960 -7.640 10.514 1.00 21.43 H new ATOM 0 HD2 ARG B 88 15.169 -5.752 11.943 1.00 53.22 H new ATOM 0 HD3 ARG B 88 16.730 -6.462 12.305 1.00 53.22 H new ATOM 0 HE ARG B 88 17.260 -4.252 10.662 1.00 24.42 H new ATOM 0 HH11 ARG B 88 15.580 -4.820 13.712 1.00 15.14 H new ATOM 0 HH12 ARG B 88 16.112 -3.292 14.422 1.00 15.14 H new ATOM 0 HH21 ARG B 88 17.998 -2.339 11.589 1.00 14.21 H new ATOM 0 HH22 ARG B 88 17.482 -1.888 13.217 1.00 14.21 H new ATOM 3203 N ASN B 89 18.838 -7.246 6.851 1.00 30.15 N ATOM 3204 CA ASN B 89 19.840 -7.028 5.823 1.00 62.20 C ATOM 3205 C ASN B 89 19.182 -6.648 4.513 1.00 3.54 C ATOM 3206 O ASN B 89 19.723 -5.854 3.754 1.00 3.23 O ATOM 3207 CB ASN B 89 20.741 -8.227 5.658 1.00 65.03 C ATOM 3208 CG ASN B 89 21.685 -8.385 6.828 1.00 71.42 C ATOM 3209 OD1 ASN B 89 22.142 -7.401 7.410 1.00 62.13 O ATOM 3210 ND2 ASN B 89 21.938 -9.596 7.218 1.00 20.42 N ATOM 0 H ASN B 89 18.823 -8.189 7.240 1.00 30.15 H new ATOM 0 HA ASN B 89 20.471 -6.198 6.142 1.00 62.20 H new ATOM 0 HB2 ASN B 89 20.134 -9.127 5.557 1.00 65.03 H new ATOM 0 HB3 ASN B 89 21.316 -8.125 4.738 1.00 65.03 H new ATOM 0 HD21 ASN B 89 22.533 -9.756 8.031 1.00 20.42 H new ATOM 0 HD22 ASN B 89 21.542 -10.388 6.712 1.00 20.42 H new ATOM 3217 N SER B 90 17.977 -7.176 4.257 1.00 2.00 N ATOM 3218 CA SER B 90 17.250 -6.834 3.072 1.00 3.41 C ATOM 3219 C SER B 90 16.732 -5.396 3.164 1.00 10.12 C ATOM 3220 O SER B 90 16.740 -4.665 2.176 1.00 61.30 O ATOM 3221 CB SER B 90 16.081 -7.796 2.920 1.00 13.25 C ATOM 3222 OG SER B 90 16.529 -9.142 2.989 1.00 73.15 O ATOM 0 H SER B 90 17.502 -7.840 4.868 1.00 2.00 H new ATOM 0 HA SER B 90 17.908 -6.909 2.206 1.00 3.41 H new ATOM 0 HB2 SER B 90 15.346 -7.611 3.704 1.00 13.25 H new ATOM 0 HB3 SER B 90 15.581 -7.622 1.967 1.00 13.25 H new ATOM 0 HG SER B 90 15.764 -9.747 2.891 1.00 73.15 H new ATOM 3228 N VAL B 91 16.298 -4.981 4.371 1.00 43.24 N ATOM 3229 CA VAL B 91 15.792 -3.628 4.544 1.00 23.21 C ATOM 3230 C VAL B 91 16.937 -2.624 4.351 1.00 30.45 C ATOM 3231 O VAL B 91 16.757 -1.582 3.714 1.00 4.02 O ATOM 3232 CB VAL B 91 15.023 -3.383 5.919 1.00 15.41 C ATOM 3233 CG1 VAL B 91 15.908 -3.412 7.114 1.00 53.25 C ATOM 3234 CG2 VAL B 91 14.255 -2.096 5.900 1.00 60.52 C ATOM 0 H VAL B 91 16.292 -5.556 5.214 1.00 43.24 H new ATOM 0 HA VAL B 91 15.033 -3.476 3.777 1.00 23.21 H new ATOM 0 HB VAL B 91 14.332 -4.221 6.007 1.00 15.41 H new ATOM 0 HG11 VAL B 91 15.314 -3.238 8.011 1.00 53.25 H new ATOM 0 HG12 VAL B 91 16.393 -4.385 7.184 1.00 53.25 H new ATOM 0 HG13 VAL B 91 16.666 -2.634 7.024 1.00 53.25 H new ATOM 0 HG21 VAL B 91 13.744 -1.963 6.854 1.00 60.52 H new ATOM 0 HG22 VAL B 91 14.941 -1.265 5.737 1.00 60.52 H new ATOM 0 HG23 VAL B 91 13.520 -2.123 5.095 1.00 60.52 H new ATOM 3244 N ASP B 92 18.139 -2.975 4.853 1.00 4.22 N ATOM 3245 CA ASP B 92 19.316 -2.112 4.692 1.00 33.14 C ATOM 3246 C ASP B 92 19.754 -2.026 3.241 1.00 61.14 C ATOM 3247 O ASP B 92 20.304 -1.017 2.802 1.00 73.31 O ATOM 3248 CB ASP B 92 20.499 -2.530 5.580 1.00 22.22 C ATOM 3249 CG ASP B 92 20.252 -2.335 7.058 1.00 64.51 C ATOM 3250 OD1 ASP B 92 20.083 -1.181 7.495 1.00 1.44 O ATOM 3251 OD2 ASP B 92 20.274 -3.332 7.818 1.00 21.31 O ATOM 0 H ASP B 92 18.314 -3.839 5.366 1.00 4.22 H new ATOM 0 HA ASP B 92 19.000 -1.123 5.023 1.00 33.14 H new ATOM 0 HB2 ASP B 92 20.727 -3.580 5.395 1.00 22.22 H new ATOM 0 HB3 ASP B 92 21.379 -1.957 5.290 1.00 22.22 H new ATOM 3256 N ALA B 93 19.520 -3.083 2.496 1.00 43.51 N ATOM 3257 CA ALA B 93 19.857 -3.100 1.086 1.00 54.32 C ATOM 3258 C ALA B 93 18.873 -2.223 0.306 1.00 75.11 C ATOM 3259 O ALA B 93 19.235 -1.578 -0.673 1.00 21.13 O ATOM 3260 CB ALA B 93 19.855 -4.527 0.556 1.00 22.12 C ATOM 0 H ALA B 93 19.097 -3.944 2.842 1.00 43.51 H new ATOM 0 HA ALA B 93 20.861 -2.696 0.954 1.00 54.32 H new ATOM 0 HB1 ALA B 93 20.110 -4.522 -0.504 1.00 22.12 H new ATOM 0 HB2 ALA B 93 20.589 -5.119 1.103 1.00 22.12 H new ATOM 0 HB3 ALA B 93 18.865 -4.963 0.689 1.00 22.12 H new ATOM 3266 N ALA B 94 17.639 -2.175 0.786 1.00 43.22 N ATOM 3267 CA ALA B 94 16.591 -1.406 0.141 1.00 14.01 C ATOM 3268 C ALA B 94 16.768 0.092 0.391 1.00 60.34 C ATOM 3269 O ALA B 94 16.641 0.897 -0.526 1.00 41.54 O ATOM 3270 CB ALA B 94 15.224 -1.876 0.608 1.00 61.42 C ATOM 0 H ALA B 94 17.340 -2.666 1.629 1.00 43.22 H new ATOM 0 HA ALA B 94 16.664 -1.571 -0.934 1.00 14.01 H new ATOM 0 HB1 ALA B 94 14.449 -1.289 0.115 1.00 61.42 H new ATOM 0 HB2 ALA B 94 15.096 -2.929 0.357 1.00 61.42 H new ATOM 0 HB3 ALA B 94 15.144 -1.748 1.687 1.00 61.42 H new ATOM 3276 N VAL B 95 17.059 0.454 1.642 1.00 10.50 N ATOM 3277 CA VAL B 95 17.283 1.871 2.035 1.00 55.20 C ATOM 3278 C VAL B 95 18.416 2.533 1.234 1.00 2.33 C ATOM 3279 O VAL B 95 18.451 3.756 1.093 1.00 43.40 O ATOM 3280 CB VAL B 95 17.541 2.043 3.555 1.00 20.13 C ATOM 3281 CG1 VAL B 95 16.382 1.524 4.361 1.00 15.24 C ATOM 3282 CG2 VAL B 95 18.844 1.411 3.994 1.00 54.30 C ATOM 0 H VAL B 95 17.148 -0.208 2.413 1.00 10.50 H new ATOM 0 HA VAL B 95 16.350 2.381 1.794 1.00 55.20 H new ATOM 0 HB VAL B 95 17.634 3.113 3.743 1.00 20.13 H new ATOM 0 HG11 VAL B 95 16.589 1.657 5.423 1.00 15.24 H new ATOM 0 HG12 VAL B 95 15.479 2.074 4.096 1.00 15.24 H new ATOM 0 HG13 VAL B 95 16.237 0.465 4.149 1.00 15.24 H new ATOM 0 HG21 VAL B 95 18.977 1.559 5.066 1.00 54.30 H new ATOM 0 HG22 VAL B 95 18.822 0.343 3.775 1.00 54.30 H new ATOM 0 HG23 VAL B 95 19.672 1.875 3.458 1.00 54.30 H new ATOM 3292 N ALA B 96 19.321 1.720 0.699 1.00 74.53 N ATOM 3293 CA ALA B 96 20.429 2.208 -0.131 1.00 63.53 C ATOM 3294 C ALA B 96 19.888 2.776 -1.452 1.00 44.32 C ATOM 3295 O ALA B 96 20.564 3.534 -2.144 1.00 31.25 O ATOM 3296 CB ALA B 96 21.398 1.068 -0.404 1.00 52.41 C ATOM 0 H ALA B 96 19.312 0.708 0.825 1.00 74.53 H new ATOM 0 HA ALA B 96 20.954 3.003 0.398 1.00 63.53 H new ATOM 0 HB1 ALA B 96 22.221 1.430 -1.020 1.00 52.41 H new ATOM 0 HB2 ALA B 96 21.790 0.690 0.540 1.00 52.41 H new ATOM 0 HB3 ALA B 96 20.878 0.266 -0.928 1.00 52.41 H new ATOM 3302 N MET B 97 18.663 2.427 -1.773 1.00 33.31 N ATOM 3303 CA MET B 97 18.036 2.893 -2.993 1.00 65.14 C ATOM 3304 C MET B 97 17.183 4.126 -2.751 1.00 1.33 C ATOM 3305 O MET B 97 16.465 4.564 -3.652 1.00 63.45 O ATOM 3306 CB MET B 97 17.171 1.805 -3.642 1.00 20.42 C ATOM 3307 CG MET B 97 17.918 0.567 -4.088 1.00 53.32 C ATOM 3308 SD MET B 97 16.859 -0.597 -4.993 1.00 72.32 S ATOM 3309 CE MET B 97 15.606 -0.965 -3.773 1.00 33.55 C ATOM 0 H MET B 97 18.076 1.818 -1.203 1.00 33.31 H new ATOM 0 HA MET B 97 18.849 3.150 -3.672 1.00 65.14 H new ATOM 0 HB2 MET B 97 16.398 1.508 -2.933 1.00 20.42 H new ATOM 0 HB3 MET B 97 16.664 2.234 -4.506 1.00 20.42 H new ATOM 0 HG2 MET B 97 18.755 0.860 -4.722 1.00 53.32 H new ATOM 0 HG3 MET B 97 18.339 0.067 -3.216 1.00 53.32 H new ATOM 0 HE1 MET B 97 15.462 -2.044 -3.714 1.00 33.55 H new ATOM 0 HE2 MET B 97 15.923 -0.587 -2.801 1.00 33.55 H new ATOM 0 HE3 MET B 97 14.668 -0.489 -4.059 1.00 33.55 H new ATOM 3319 N ASP B 98 17.248 4.686 -1.547 1.00 70.50 N ATOM 3320 CA ASP B 98 16.423 5.853 -1.190 1.00 72.33 C ATOM 3321 C ASP B 98 16.464 6.988 -2.211 1.00 64.33 C ATOM 3322 O ASP B 98 15.485 7.667 -2.366 1.00 74.41 O ATOM 3323 CB ASP B 98 16.748 6.429 0.203 1.00 42.31 C ATOM 3324 CG ASP B 98 17.920 7.385 0.222 1.00 75.21 C ATOM 3325 OD1 ASP B 98 19.066 6.940 0.265 1.00 21.42 O ATOM 3326 OD2 ASP B 98 17.682 8.620 0.204 1.00 72.23 O ATOM 0 H ASP B 98 17.859 4.358 -0.799 1.00 70.50 H new ATOM 0 HA ASP B 98 15.413 5.442 -1.180 1.00 72.33 H new ATOM 0 HB2 ASP B 98 15.867 6.945 0.585 1.00 42.31 H new ATOM 0 HB3 ASP B 98 16.955 5.604 0.885 1.00 42.31 H new ATOM 3331 N GLU B 99 17.602 7.254 -2.844 1.00 2.30 N ATOM 3332 CA GLU B 99 17.664 8.324 -3.833 1.00 2.25 C ATOM 3333 C GLU B 99 17.707 7.772 -5.291 1.00 52.35 C ATOM 3334 O GLU B 99 18.063 8.490 -6.238 1.00 30.53 O ATOM 3335 CB GLU B 99 18.927 9.142 -3.513 1.00 25.32 C ATOM 3336 CG GLU B 99 19.128 10.408 -4.313 1.00 21.02 C ATOM 3337 CD GLU B 99 20.403 11.096 -3.940 1.00 71.44 C ATOM 3338 OE1 GLU B 99 21.468 10.696 -4.439 1.00 60.41 O ATOM 3339 OE2 GLU B 99 20.367 12.048 -3.137 1.00 42.01 O ATOM 0 H GLU B 99 18.478 6.754 -2.694 1.00 2.30 H new ATOM 0 HA GLU B 99 16.768 8.942 -3.779 1.00 2.25 H new ATOM 0 HB2 GLU B 99 18.904 9.406 -2.456 1.00 25.32 H new ATOM 0 HB3 GLU B 99 19.796 8.501 -3.663 1.00 25.32 H new ATOM 0 HG2 GLU B 99 19.140 10.169 -5.377 1.00 21.02 H new ATOM 0 HG3 GLU B 99 18.288 11.082 -4.147 1.00 21.02 H new ATOM 3346 N THR B 100 17.329 6.527 -5.484 1.00 4.14 N ATOM 3347 CA THR B 100 17.384 5.966 -6.827 1.00 13.01 C ATOM 3348 C THR B 100 16.175 6.359 -7.677 1.00 52.32 C ATOM 3349 O THR B 100 15.200 6.949 -7.181 1.00 4.33 O ATOM 3350 CB THR B 100 17.594 4.435 -6.852 1.00 34.12 C ATOM 3351 OG1 THR B 100 16.548 3.756 -6.147 1.00 33.05 O ATOM 3352 CG2 THR B 100 18.944 4.064 -6.268 1.00 22.41 C ATOM 0 H THR B 100 16.990 5.897 -4.758 1.00 4.14 H new ATOM 0 HA THR B 100 18.271 6.413 -7.276 1.00 13.01 H new ATOM 0 HB THR B 100 17.566 4.118 -7.894 1.00 34.12 H new ATOM 0 HG1 THR B 100 16.557 4.029 -5.206 1.00 33.05 H new ATOM 0 HG21 THR B 100 19.068 2.981 -6.297 1.00 22.41 H new ATOM 0 HG22 THR B 100 19.735 4.535 -6.852 1.00 22.41 H new ATOM 0 HG23 THR B 100 19.001 4.408 -5.235 1.00 22.41 H new ATOM 3360 N VAL B 101 16.240 6.024 -8.936 1.00 61.21 N ATOM 3361 CA VAL B 101 15.234 6.392 -9.881 1.00 42.21 C ATOM 3362 C VAL B 101 14.469 5.156 -10.392 1.00 64.12 C ATOM 3363 O VAL B 101 15.052 4.204 -10.924 1.00 10.04 O ATOM 3364 CB VAL B 101 15.867 7.218 -11.044 1.00 50.34 C ATOM 3365 CG1 VAL B 101 16.992 6.457 -11.707 1.00 34.33 C ATOM 3366 CG2 VAL B 101 14.834 7.640 -12.062 1.00 51.10 C ATOM 0 H VAL B 101 17.005 5.480 -9.335 1.00 61.21 H new ATOM 0 HA VAL B 101 14.500 7.027 -9.384 1.00 42.21 H new ATOM 0 HB VAL B 101 16.282 8.124 -10.602 1.00 50.34 H new ATOM 0 HG11 VAL B 101 17.413 7.058 -12.513 1.00 34.33 H new ATOM 0 HG12 VAL B 101 17.768 6.241 -10.972 1.00 34.33 H new ATOM 0 HG13 VAL B 101 16.608 5.522 -12.115 1.00 34.33 H new ATOM 0 HG21 VAL B 101 15.317 8.212 -12.854 1.00 51.10 H new ATOM 0 HG22 VAL B 101 14.362 6.755 -12.489 1.00 51.10 H new ATOM 0 HG23 VAL B 101 14.077 8.257 -11.578 1.00 51.10 H new ATOM 3376 N PHE B 102 13.180 5.190 -10.211 1.00 70.41 N ATOM 3377 CA PHE B 102 12.280 4.125 -10.591 1.00 70.42 C ATOM 3378 C PHE B 102 11.314 4.665 -11.635 1.00 53.35 C ATOM 3379 O PHE B 102 10.638 5.653 -11.383 1.00 22.01 O ATOM 3380 CB PHE B 102 11.527 3.663 -9.333 1.00 51.15 C ATOM 3381 CG PHE B 102 10.496 2.586 -9.531 1.00 41.21 C ATOM 3382 CD1 PHE B 102 10.857 1.251 -9.540 1.00 32.04 C ATOM 3383 CD2 PHE B 102 9.156 2.916 -9.685 1.00 10.40 C ATOM 3384 CE1 PHE B 102 9.904 0.265 -9.698 1.00 12.43 C ATOM 3385 CE2 PHE B 102 8.202 1.937 -9.848 1.00 53.21 C ATOM 3386 CZ PHE B 102 8.575 0.611 -9.855 1.00 2.32 C ATOM 0 H PHE B 102 12.705 5.984 -9.781 1.00 70.41 H new ATOM 0 HA PHE B 102 12.818 3.277 -11.014 1.00 70.42 H new ATOM 0 HB2 PHE B 102 12.259 3.307 -8.608 1.00 51.15 H new ATOM 0 HB3 PHE B 102 11.036 4.530 -8.891 1.00 51.15 H new ATOM 0 HD1 PHE B 102 11.895 0.977 -9.422 1.00 32.04 H new ATOM 0 HD2 PHE B 102 8.858 3.954 -9.677 1.00 10.40 H new ATOM 0 HE1 PHE B 102 10.196 -0.775 -9.699 1.00 12.43 H new ATOM 0 HE2 PHE B 102 7.164 2.208 -9.970 1.00 53.21 H new ATOM 0 HZ PHE B 102 7.828 -0.159 -9.983 1.00 2.32 H new ATOM 3396 N ARG B 103 11.268 4.031 -12.807 1.00 1.23 N ATOM 3397 CA ARG B 103 10.423 4.467 -13.936 1.00 3.45 C ATOM 3398 C ARG B 103 10.641 5.936 -14.316 1.00 52.13 C ATOM 3399 O ARG B 103 9.737 6.606 -14.800 1.00 34.35 O ATOM 3400 CB ARG B 103 8.951 4.186 -13.650 1.00 22.20 C ATOM 3401 CG ARG B 103 8.633 2.710 -13.628 1.00 41.41 C ATOM 3402 CD ARG B 103 7.167 2.469 -13.437 1.00 73.22 C ATOM 3403 NE ARG B 103 6.828 1.051 -13.581 1.00 2.12 N ATOM 3404 CZ ARG B 103 5.802 0.601 -14.312 1.00 33.12 C ATOM 3405 NH1 ARG B 103 5.112 1.443 -15.064 1.00 21.21 N ATOM 3406 NH2 ARG B 103 5.504 -0.681 -14.334 1.00 71.25 N ATOM 0 H ARG B 103 11.816 3.195 -13.008 1.00 1.23 H new ATOM 0 HA ARG B 103 10.730 3.879 -14.801 1.00 3.45 H new ATOM 0 HB2 ARG B 103 8.681 4.626 -12.690 1.00 22.20 H new ATOM 0 HB3 ARG B 103 8.338 4.674 -14.408 1.00 22.20 H new ATOM 0 HG2 ARG B 103 8.960 2.252 -14.562 1.00 41.41 H new ATOM 0 HG3 ARG B 103 9.190 2.228 -12.824 1.00 41.41 H new ATOM 0 HD2 ARG B 103 6.867 2.816 -12.448 1.00 73.22 H new ATOM 0 HD3 ARG B 103 6.604 3.054 -14.165 1.00 73.22 H new ATOM 0 HE ARG B 103 7.408 0.367 -13.095 1.00 2.12 H new ATOM 0 HH11 ARG B 103 5.363 2.431 -15.085 1.00 21.21 H new ATOM 0 HH12 ARG B 103 4.329 1.104 -15.623 1.00 21.21 H new ATOM 0 HH21 ARG B 103 6.058 -1.343 -13.790 1.00 71.25 H new ATOM 0 HH22 ARG B 103 4.719 -1.013 -14.895 1.00 71.25 H new ATOM 3420 N GLY B 104 11.858 6.397 -14.147 1.00 21.22 N ATOM 3421 CA GLY B 104 12.204 7.751 -14.539 1.00 63.01 C ATOM 3422 C GLY B 104 11.918 8.802 -13.470 1.00 20.34 C ATOM 3423 O GLY B 104 12.091 9.986 -13.711 1.00 2.24 O ATOM 0 H GLY B 104 12.625 5.860 -13.743 1.00 21.22 H new ATOM 0 HA2 GLY B 104 13.264 7.785 -14.792 1.00 63.01 H new ATOM 0 HA3 GLY B 104 11.652 8.008 -15.443 1.00 63.01 H new ATOM 3427 N ARG B 105 11.489 8.379 -12.301 1.00 72.21 N ATOM 3428 CA ARG B 105 11.230 9.320 -11.214 1.00 4.43 C ATOM 3429 C ARG B 105 11.998 8.909 -9.978 1.00 64.55 C ATOM 3430 O ARG B 105 12.272 7.725 -9.773 1.00 31.01 O ATOM 3431 CB ARG B 105 9.733 9.409 -10.899 1.00 22.24 C ATOM 3432 CG ARG B 105 9.123 8.087 -10.506 1.00 34.32 C ATOM 3433 CD ARG B 105 7.656 8.194 -10.227 1.00 32.02 C ATOM 3434 NE ARG B 105 7.067 6.869 -10.021 1.00 53.12 N ATOM 3435 CZ ARG B 105 5.838 6.551 -10.399 1.00 50.23 C ATOM 3436 NH1 ARG B 105 5.021 7.500 -10.802 1.00 23.12 N ATOM 3437 NH2 ARG B 105 5.415 5.290 -10.331 1.00 74.53 N ATOM 0 H ARG B 105 11.311 7.401 -12.072 1.00 72.21 H new ATOM 0 HA ARG B 105 11.565 10.306 -11.535 1.00 4.43 H new ATOM 0 HB2 ARG B 105 9.581 10.125 -10.091 1.00 22.24 H new ATOM 0 HB3 ARG B 105 9.208 9.797 -11.772 1.00 22.24 H new ATOM 0 HG2 ARG B 105 9.286 7.363 -11.305 1.00 34.32 H new ATOM 0 HG3 ARG B 105 9.631 7.705 -9.621 1.00 34.32 H new ATOM 0 HD2 ARG B 105 7.494 8.810 -9.343 1.00 32.02 H new ATOM 0 HD3 ARG B 105 7.159 8.693 -11.059 1.00 32.02 H new ATOM 0 HE ARG B 105 7.632 6.154 -9.563 1.00 53.12 H new ATOM 0 HH11 ARG B 105 5.336 8.470 -10.821 1.00 23.12 H new ATOM 0 HH12 ARG B 105 4.073 7.266 -11.095 1.00 23.12 H new ATOM 0 HH21 ARG B 105 6.039 4.561 -9.986 1.00 74.53 H new ATOM 0 HH22 ARG B 105 4.467 5.054 -10.624 1.00 74.53 H new ATOM 3451 N THR B 106 12.339 9.860 -9.172 1.00 51.32 N ATOM 3452 CA THR B 106 13.069 9.591 -7.977 1.00 11.32 C ATOM 3453 C THR B 106 12.107 9.168 -6.872 1.00 73.43 C ATOM 3454 O THR B 106 11.157 9.901 -6.530 1.00 62.04 O ATOM 3455 CB THR B 106 13.870 10.833 -7.536 1.00 25.13 C ATOM 3456 OG1 THR B 106 14.720 11.258 -8.624 1.00 21.05 O ATOM 3457 CG2 THR B 106 14.736 10.514 -6.322 1.00 21.14 C ATOM 0 H THR B 106 12.120 10.845 -9.323 1.00 51.32 H new ATOM 0 HA THR B 106 13.773 8.782 -8.172 1.00 11.32 H new ATOM 0 HB THR B 106 13.170 11.625 -7.269 1.00 25.13 H new ATOM 0 HG1 THR B 106 15.231 12.048 -8.351 1.00 21.05 H new ATOM 0 HG21 THR B 106 15.292 11.404 -6.028 1.00 21.14 H new ATOM 0 HG22 THR B 106 14.101 10.194 -5.496 1.00 21.14 H new ATOM 0 HG23 THR B 106 15.435 9.716 -6.573 1.00 21.14 H new ATOM 3465 N ILE B 107 12.319 7.992 -6.353 1.00 21.14 N ATOM 3466 CA ILE B 107 11.510 7.490 -5.256 1.00 22.03 C ATOM 3467 C ILE B 107 12.280 7.630 -3.969 1.00 12.12 C ATOM 3468 O ILE B 107 13.431 8.032 -3.991 1.00 40.30 O ATOM 3469 CB ILE B 107 11.105 6.003 -5.452 1.00 1.50 C ATOM 3470 CG1 ILE B 107 12.354 5.098 -5.552 1.00 15.42 C ATOM 3471 CG2 ILE B 107 10.216 5.856 -6.682 1.00 12.14 C ATOM 3472 CD1 ILE B 107 12.044 3.613 -5.647 1.00 71.13 C ATOM 0 H ILE B 107 13.048 7.352 -6.668 1.00 21.14 H new ATOM 0 HA ILE B 107 10.593 8.079 -5.225 1.00 22.03 H new ATOM 0 HB ILE B 107 10.536 5.681 -4.580 1.00 1.50 H new ATOM 0 HG12 ILE B 107 12.933 5.393 -6.427 1.00 15.42 H new ATOM 0 HG13 ILE B 107 12.984 5.271 -4.680 1.00 15.42 H new ATOM 0 HG21 ILE B 107 9.939 4.809 -6.808 1.00 12.14 H new ATOM 0 HG22 ILE B 107 9.315 6.456 -6.554 1.00 12.14 H new ATOM 0 HG23 ILE B 107 10.757 6.197 -7.565 1.00 12.14 H new ATOM 0 HD11 ILE B 107 12.975 3.050 -5.714 1.00 71.13 H new ATOM 0 HD12 ILE B 107 11.493 3.299 -4.761 1.00 71.13 H new ATOM 0 HD13 ILE B 107 11.441 3.423 -6.535 1.00 71.13 H new ATOM 3484 N LYS B 108 11.639 7.363 -2.856 1.00 12.11 N ATOM 3485 CA LYS B 108 12.282 7.477 -1.558 1.00 13.42 C ATOM 3486 C LYS B 108 12.067 6.182 -0.793 1.00 1.24 C ATOM 3487 O LYS B 108 10.955 5.687 -0.752 1.00 73.54 O ATOM 3488 CB LYS B 108 11.682 8.659 -0.763 1.00 60.23 C ATOM 3489 CG LYS B 108 12.322 8.894 0.606 1.00 1.31 C ATOM 3490 CD LYS B 108 13.786 9.288 0.485 1.00 10.43 C ATOM 3491 CE LYS B 108 14.449 9.438 1.848 1.00 61.52 C ATOM 3492 NZ LYS B 108 15.855 9.904 1.741 1.00 12.41 N ATOM 0 H LYS B 108 10.665 7.063 -2.818 1.00 12.11 H new ATOM 0 HA LYS B 108 13.348 7.659 -1.695 1.00 13.42 H new ATOM 0 HB2 LYS B 108 11.782 9.567 -1.357 1.00 60.23 H new ATOM 0 HB3 LYS B 108 10.615 8.483 -0.626 1.00 60.23 H new ATOM 0 HG2 LYS B 108 11.777 9.678 1.132 1.00 1.31 H new ATOM 0 HG3 LYS B 108 12.238 7.988 1.207 1.00 1.31 H new ATOM 0 HD2 LYS B 108 14.318 8.535 -0.096 1.00 10.43 H new ATOM 0 HD3 LYS B 108 13.865 10.227 -0.062 1.00 10.43 H new ATOM 0 HE2 LYS B 108 13.879 10.145 2.451 1.00 61.52 H new ATOM 0 HE3 LYS B 108 14.424 8.481 2.369 1.00 61.52 H new ATOM 0 HZ1 LYS B 108 16.307 9.862 2.677 1.00 12.41 H new ATOM 0 HZ2 LYS B 108 16.374 9.293 1.078 1.00 12.41 H new ATOM 0 HZ3 LYS B 108 15.870 10.884 1.393 1.00 12.41 H new ATOM 3506 N VAL B 109 13.126 5.634 -0.202 1.00 32.24 N ATOM 3507 CA VAL B 109 13.029 4.391 0.573 1.00 72.03 C ATOM 3508 C VAL B 109 13.634 4.652 1.973 1.00 24.25 C ATOM 3509 O VAL B 109 14.805 5.005 2.097 1.00 41.02 O ATOM 3510 CB VAL B 109 13.762 3.208 -0.126 1.00 44.40 C ATOM 3511 CG1 VAL B 109 13.468 1.899 0.586 1.00 14.23 C ATOM 3512 CG2 VAL B 109 13.368 3.113 -1.598 1.00 62.32 C ATOM 0 H VAL B 109 14.065 6.029 -0.243 1.00 32.24 H new ATOM 0 HA VAL B 109 11.981 4.102 0.654 1.00 72.03 H new ATOM 0 HB VAL B 109 14.834 3.399 -0.072 1.00 44.40 H new ATOM 0 HG11 VAL B 109 13.990 1.085 0.082 1.00 14.23 H new ATOM 0 HG12 VAL B 109 13.808 1.963 1.620 1.00 14.23 H new ATOM 0 HG13 VAL B 109 12.395 1.708 0.568 1.00 14.23 H new ATOM 0 HG21 VAL B 109 13.894 2.279 -2.062 1.00 62.32 H new ATOM 0 HG22 VAL B 109 12.293 2.953 -1.677 1.00 62.32 H new ATOM 0 HG23 VAL B 109 13.636 4.039 -2.107 1.00 62.32 H new ATOM 3522 N LEU B 110 12.840 4.478 2.997 1.00 30.21 N ATOM 3523 CA LEU B 110 13.164 4.932 4.355 1.00 13.30 C ATOM 3524 C LEU B 110 12.574 3.892 5.361 1.00 72.20 C ATOM 3525 O LEU B 110 11.463 3.495 5.194 1.00 23.53 O ATOM 3526 CB LEU B 110 12.396 6.263 4.389 1.00 54.32 C ATOM 3527 CG LEU B 110 12.341 7.267 5.537 1.00 53.51 C ATOM 3528 CD1 LEU B 110 11.177 8.180 5.253 1.00 70.14 C ATOM 3529 CD2 LEU B 110 12.231 6.656 6.920 1.00 43.34 C ATOM 0 H LEU B 110 11.935 4.013 2.927 1.00 30.21 H new ATOM 0 HA LEU B 110 14.220 5.037 4.604 1.00 13.30 H new ATOM 0 HB2 LEU B 110 12.759 6.827 3.530 1.00 54.32 H new ATOM 0 HB3 LEU B 110 11.358 6.002 4.184 1.00 54.32 H new ATOM 0 HG LEU B 110 13.291 7.801 5.570 1.00 53.51 H new ATOM 0 HD11 LEU B 110 11.093 8.921 6.048 1.00 70.14 H new ATOM 0 HD12 LEU B 110 11.336 8.686 4.301 1.00 70.14 H new ATOM 0 HD13 LEU B 110 10.259 7.595 5.204 1.00 70.14 H new ATOM 0 HD21 LEU B 110 12.199 7.449 7.667 1.00 43.34 H new ATOM 0 HD22 LEU B 110 11.320 6.061 6.983 1.00 43.34 H new ATOM 0 HD23 LEU B 110 13.095 6.018 7.106 1.00 43.34 H new ATOM 3541 N PRO B 111 13.338 3.435 6.386 1.00 5.41 N ATOM 3542 CA PRO B 111 12.869 2.400 7.376 1.00 12.12 C ATOM 3543 C PRO B 111 11.569 2.738 8.164 1.00 43.52 C ATOM 3544 O PRO B 111 11.239 3.903 8.406 1.00 54.00 O ATOM 3545 CB PRO B 111 14.040 2.289 8.343 1.00 75.45 C ATOM 3546 CG PRO B 111 15.214 2.723 7.554 1.00 15.31 C ATOM 3547 CD PRO B 111 14.722 3.840 6.679 1.00 74.20 C ATOM 0 HA PRO B 111 12.599 1.487 6.844 1.00 12.12 H new ATOM 0 HB2 PRO B 111 13.894 2.922 9.218 1.00 75.45 H new ATOM 0 HB3 PRO B 111 14.160 1.268 8.705 1.00 75.45 H new ATOM 0 HG2 PRO B 111 16.020 3.061 8.205 1.00 15.31 H new ATOM 0 HG3 PRO B 111 15.610 1.902 6.956 1.00 15.31 H new ATOM 0 HD2 PRO B 111 14.763 4.802 7.189 1.00 74.20 H new ATOM 0 HD3 PRO B 111 15.317 3.935 5.771 1.00 74.20 H new ATOM 3555 N LYS B 112 10.862 1.679 8.555 1.00 52.21 N ATOM 3556 CA LYS B 112 9.618 1.729 9.335 1.00 41.04 C ATOM 3557 C LYS B 112 9.876 1.198 10.776 1.00 51.23 C ATOM 3558 O LYS B 112 10.251 0.061 10.941 1.00 62.43 O ATOM 3559 CB LYS B 112 8.571 0.820 8.623 1.00 21.42 C ATOM 3560 CG LYS B 112 7.239 0.580 9.364 1.00 34.23 C ATOM 3561 CD LYS B 112 6.390 -0.462 8.605 1.00 52.11 C ATOM 3562 CE LYS B 112 5.191 -0.943 9.398 1.00 23.51 C ATOM 3563 NZ LYS B 112 4.503 -2.121 8.751 1.00 34.41 N ATOM 0 H LYS B 112 11.147 0.726 8.331 1.00 52.21 H new ATOM 0 HA LYS B 112 9.254 2.754 9.402 1.00 41.04 H new ATOM 0 HB2 LYS B 112 8.345 1.259 7.651 1.00 21.42 H new ATOM 0 HB3 LYS B 112 9.034 -0.149 8.435 1.00 21.42 H new ATOM 0 HG2 LYS B 112 7.436 0.231 10.378 1.00 34.23 H new ATOM 0 HG3 LYS B 112 6.688 1.516 9.450 1.00 34.23 H new ATOM 0 HD2 LYS B 112 6.047 -0.028 7.666 1.00 52.11 H new ATOM 0 HD3 LYS B 112 7.017 -1.317 8.351 1.00 52.11 H new ATOM 0 HE2 LYS B 112 5.512 -1.221 10.402 1.00 23.51 H new ATOM 0 HE3 LYS B 112 4.479 -0.125 9.505 1.00 23.51 H new ATOM 0 HZ1 LYS B 112 3.701 -2.421 9.341 1.00 34.41 H new ATOM 0 HZ2 LYS B 112 4.157 -1.847 7.810 1.00 34.41 H new ATOM 0 HZ3 LYS B 112 5.177 -2.907 8.656 1.00 34.41 H new