USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 858 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 23 HIS : no HE2:sc= -1.33 K(o=-1.4,f=-2.7) USER MOD Set 1.2: B 24 ASN : amide:sc= -0.087 X(o=-1.4,f=-1.4) USER MOD Set 2.1: A 23 HIS : no HE2:sc= -1.52 K(o=-1.6,f=-2.7) USER MOD Set 2.2: A 24 ASN : amide:sc= -0.059 X(o=-1.6,f=-1.6) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -2.14! C(o=-2.1!,f=-2.8!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.0014) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -49:sc= -3.18! USER MOD Single : A 35 GLN : amide:sc= -0.353 K(o=-0.35,f=-3.2!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -15:sc= -3.68! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 GLN : amide:sc= -2.13! C(o=-2.1!,f=-2.8!) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.0042) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot -49:sc= -3.5! USER MOD Single : B 35 GLN : amide:sc= -0.394 K(o=-0.39,f=-3.3!) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 TYR OH : rot -15:sc= -3.7! USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 12 -21.543 12.389 5.441 1.00 0.00 N ATOM 2 CA SER A 12 -20.723 13.619 5.244 1.00 0.00 C ATOM 3 C SER A 12 -19.234 13.284 5.356 1.00 0.00 C ATOM 4 O SER A 12 -18.777 12.767 6.356 1.00 0.00 O ATOM 5 CB SER A 12 -21.148 14.562 6.368 1.00 0.00 C ATOM 6 OG SER A 12 -22.314 15.270 5.972 1.00 0.00 O ATOM 0 HA SER A 12 -20.874 14.064 4.261 1.00 0.00 H new ATOM 0 HB2 SER A 12 -21.344 13.996 7.278 1.00 0.00 H new ATOM 0 HB3 SER A 12 -20.343 15.262 6.595 1.00 0.00 H new ATOM 0 HG SER A 12 -22.590 15.875 6.692 1.00 0.00 H new ATOM 14 N LEU A 13 -18.473 13.572 4.335 1.00 0.00 N ATOM 15 CA LEU A 13 -17.014 13.268 4.383 1.00 0.00 C ATOM 16 C LEU A 13 -16.334 14.083 5.485 1.00 0.00 C ATOM 17 O LEU A 13 -15.486 13.592 6.204 1.00 0.00 O ATOM 18 CB LEU A 13 -16.475 13.670 3.008 1.00 0.00 C ATOM 19 CG LEU A 13 -15.750 12.479 2.378 1.00 0.00 C ATOM 20 CD1 LEU A 13 -16.777 11.464 1.874 1.00 0.00 C ATOM 21 CD2 LEU A 13 -14.896 12.966 1.205 1.00 0.00 C ATOM 0 H LEU A 13 -18.798 14.004 3.470 1.00 0.00 H new ATOM 0 HA LEU A 13 -16.823 12.218 4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -17.293 13.993 2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -15.793 14.515 3.105 1.00 0.00 H new ATOM 0 HG LEU A 13 -15.110 12.007 3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -16.260 10.616 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -17.386 11.118 2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -17.418 11.934 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.379 12.119 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -15.537 13.438 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.164 13.689 1.564 1.00 0.00 H new ATOM 33 N ARG A 14 -16.700 15.327 5.625 1.00 0.00 N ATOM 34 CA ARG A 14 -16.073 16.174 6.681 1.00 0.00 C ATOM 35 C ARG A 14 -16.208 15.498 8.049 1.00 0.00 C ATOM 36 O ARG A 14 -15.358 15.637 8.906 1.00 0.00 O ATOM 37 CB ARG A 14 -16.856 17.487 6.652 1.00 0.00 C ATOM 38 CG ARG A 14 -16.041 18.551 5.913 1.00 0.00 C ATOM 39 CD ARG A 14 -16.701 19.919 6.097 1.00 0.00 C ATOM 40 NE ARG A 14 -17.990 19.825 5.357 1.00 0.00 N ATOM 41 CZ ARG A 14 -18.182 20.550 4.289 1.00 0.00 C ATOM 42 NH1 ARG A 14 -17.236 20.659 3.397 1.00 0.00 N ATOM 43 NH2 ARG A 14 -19.319 21.165 4.113 1.00 0.00 N ATOM 0 H ARG A 14 -17.405 15.794 5.055 1.00 0.00 H new ATOM 0 HA ARG A 14 -15.008 16.331 6.508 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -17.816 17.340 6.157 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -17.069 17.818 7.668 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -15.021 18.573 6.296 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -15.979 18.305 4.853 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -16.866 20.139 7.152 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -16.074 20.717 5.699 1.00 0.00 H new ATOM 0 HE ARG A 14 -18.722 19.195 5.685 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -16.347 20.178 3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -17.385 21.225 2.562 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -20.058 21.079 4.810 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -19.468 21.732 3.278 1.00 0.00 H new ATOM 57 N GLU A 15 -17.269 14.770 8.260 1.00 0.00 N ATOM 58 CA GLU A 15 -17.460 14.088 9.571 1.00 0.00 C ATOM 59 C GLU A 15 -16.323 13.092 9.825 1.00 0.00 C ATOM 60 O GLU A 15 -16.023 12.753 10.952 1.00 0.00 O ATOM 61 CB GLU A 15 -18.795 13.354 9.444 1.00 0.00 C ATOM 62 CG GLU A 15 -19.217 12.816 10.813 1.00 0.00 C ATOM 63 CD GLU A 15 -20.473 11.958 10.661 1.00 0.00 C ATOM 64 OE1 GLU A 15 -20.511 11.155 9.743 1.00 0.00 O ATOM 65 OE2 GLU A 15 -21.377 12.119 11.464 1.00 0.00 O ATOM 0 H GLU A 15 -18.014 14.617 7.580 1.00 0.00 H new ATOM 0 HA GLU A 15 -17.457 14.791 10.404 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -19.558 14.030 9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -18.704 12.534 8.732 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -18.411 12.225 11.247 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -19.410 13.643 11.497 1.00 0.00 H new ATOM 72 N CYS A 16 -15.687 12.622 8.786 1.00 0.00 N ATOM 73 CA CYS A 16 -14.570 11.650 8.971 1.00 0.00 C ATOM 74 C CYS A 16 -13.232 12.386 9.117 1.00 0.00 C ATOM 75 O CYS A 16 -12.176 11.791 9.036 1.00 0.00 O ATOM 76 CB CYS A 16 -14.571 10.803 7.700 1.00 0.00 C ATOM 77 SG CYS A 16 -15.253 9.165 8.061 1.00 0.00 S ATOM 0 H CYS A 16 -15.892 12.868 7.818 1.00 0.00 H new ATOM 0 HA CYS A 16 -14.698 11.048 9.870 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -15.163 11.292 6.926 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -13.556 10.708 7.313 1.00 0.00 H new ATOM 82 N GLU A 17 -13.267 13.674 9.328 1.00 0.00 N ATOM 83 CA GLU A 17 -11.995 14.440 9.473 1.00 0.00 C ATOM 84 C GLU A 17 -11.189 13.920 10.666 1.00 0.00 C ATOM 85 O GLU A 17 -9.984 14.059 10.718 1.00 0.00 O ATOM 86 CB GLU A 17 -12.434 15.885 9.711 1.00 0.00 C ATOM 87 CG GLU A 17 -12.648 16.584 8.367 1.00 0.00 C ATOM 88 CD GLU A 17 -11.291 16.912 7.741 1.00 0.00 C ATOM 89 OE1 GLU A 17 -10.633 17.810 8.239 1.00 0.00 O ATOM 90 OE2 GLU A 17 -10.934 16.260 6.773 1.00 0.00 O ATOM 0 H GLU A 17 -14.120 14.228 9.406 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.354 14.344 8.597 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.355 15.905 10.293 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.678 16.414 10.292 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.223 15.943 7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.226 17.497 8.508 1.00 0.00 H new ATOM 97 N LEU A 18 -11.843 13.324 11.626 1.00 0.00 N ATOM 98 CA LEU A 18 -11.107 12.799 12.814 1.00 0.00 C ATOM 99 C LEU A 18 -10.625 11.369 12.551 1.00 0.00 C ATOM 100 O LEU A 18 -9.662 10.912 13.133 1.00 0.00 O ATOM 101 CB LEU A 18 -12.131 12.819 13.952 1.00 0.00 C ATOM 102 CG LEU A 18 -11.689 13.822 15.021 1.00 0.00 C ATOM 103 CD1 LEU A 18 -11.637 15.227 14.415 1.00 0.00 C ATOM 104 CD2 LEU A 18 -12.688 13.806 16.180 1.00 0.00 C ATOM 0 H LEU A 18 -12.852 13.178 11.640 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.223 13.392 13.048 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.113 13.092 13.566 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.225 11.825 14.388 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.700 13.547 15.388 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.322 15.940 15.177 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.926 15.241 13.589 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.626 15.501 14.047 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.374 14.520 16.941 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.677 14.080 15.812 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.726 12.807 16.614 1.00 0.00 H new ATOM 116 N TYR A 19 -11.291 10.660 11.678 1.00 0.00 N ATOM 117 CA TYR A 19 -10.875 9.258 11.376 1.00 0.00 C ATOM 118 C TYR A 19 -9.882 9.225 10.210 1.00 0.00 C ATOM 119 O TYR A 19 -9.828 8.273 9.456 1.00 0.00 O ATOM 120 CB TYR A 19 -12.168 8.549 10.982 1.00 0.00 C ATOM 121 CG TYR A 19 -12.373 7.342 11.867 1.00 0.00 C ATOM 122 CD1 TYR A 19 -12.540 7.507 13.260 1.00 0.00 C ATOM 123 CD2 TYR A 19 -12.398 6.048 11.300 1.00 0.00 C ATOM 124 CE1 TYR A 19 -12.732 6.377 14.087 1.00 0.00 C ATOM 125 CE2 TYR A 19 -12.591 4.918 12.127 1.00 0.00 C ATOM 126 CZ TYR A 19 -12.757 5.082 13.520 1.00 0.00 C ATOM 127 OH TYR A 19 -12.947 3.980 14.327 1.00 0.00 O ATOM 0 H TYR A 19 -12.105 10.991 11.161 1.00 0.00 H new ATOM 0 HA TYR A 19 -10.379 8.788 12.225 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -13.013 9.231 11.078 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -12.123 8.243 9.937 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -12.521 8.496 13.693 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -12.270 5.922 10.235 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -12.860 6.503 15.152 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -12.612 3.929 11.694 1.00 0.00 H new ATOM 0 HH TYR A 19 -12.939 3.168 13.779 1.00 0.00 H new ATOM 137 N VAL A 20 -9.096 10.251 10.056 1.00 0.00 N ATOM 138 CA VAL A 20 -8.113 10.275 8.941 1.00 0.00 C ATOM 139 C VAL A 20 -6.840 9.509 9.348 1.00 0.00 C ATOM 140 O VAL A 20 -6.911 8.374 9.776 1.00 0.00 O ATOM 141 CB VAL A 20 -7.836 11.763 8.704 1.00 0.00 C ATOM 142 CG1 VAL A 20 -9.133 12.468 8.308 1.00 0.00 C ATOM 143 CG2 VAL A 20 -7.286 12.395 9.986 1.00 0.00 C ATOM 0 H VAL A 20 -9.092 11.076 10.656 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.478 9.792 8.034 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.104 11.869 7.904 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.935 13.527 8.140 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.525 12.022 7.394 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.865 12.359 9.108 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.090 13.453 9.815 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.017 12.286 10.788 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.360 11.896 10.269 1.00 0.00 H new ATOM 153 N GLN A 21 -5.683 10.106 9.221 1.00 0.00 N ATOM 154 CA GLN A 21 -4.432 9.389 9.606 1.00 0.00 C ATOM 155 C GLN A 21 -4.130 9.611 11.089 1.00 0.00 C ATOM 156 O GLN A 21 -3.843 8.682 11.819 1.00 0.00 O ATOM 157 CB GLN A 21 -3.337 10.009 8.737 1.00 0.00 C ATOM 158 CG GLN A 21 -3.521 9.560 7.287 1.00 0.00 C ATOM 159 CD GLN A 21 -4.648 10.368 6.642 1.00 0.00 C ATOM 160 OE1 GLN A 21 -5.633 9.813 6.202 1.00 0.00 O ATOM 161 NE2 GLN A 21 -4.542 11.667 6.565 1.00 0.00 N ATOM 0 H GLN A 21 -5.551 11.054 8.869 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.511 8.312 9.456 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.380 11.096 8.800 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.355 9.707 9.101 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.594 9.701 6.731 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.756 8.496 7.252 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.714 12.134 6.935 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.287 12.215 6.135 1.00 0.00 H new ATOM 170 N LYS A 22 -4.189 10.833 11.539 1.00 0.00 N ATOM 171 CA LYS A 22 -3.905 11.114 12.975 1.00 0.00 C ATOM 172 C LYS A 22 -5.034 10.568 13.852 1.00 0.00 C ATOM 173 O LYS A 22 -5.718 11.308 14.533 1.00 0.00 O ATOM 174 CB LYS A 22 -3.831 12.639 13.077 1.00 0.00 C ATOM 175 CG LYS A 22 -5.123 13.255 12.536 1.00 0.00 C ATOM 176 CD LYS A 22 -5.309 14.654 13.125 1.00 0.00 C ATOM 177 CE LYS A 22 -6.525 15.323 12.481 1.00 0.00 C ATOM 178 NZ LYS A 22 -6.049 16.673 12.071 1.00 0.00 N ATOM 0 H LYS A 22 -4.422 11.650 10.975 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.983 10.641 13.314 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.681 12.937 14.115 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.976 13.010 12.512 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.084 13.309 11.448 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.974 12.625 12.793 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.445 14.590 14.205 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.416 15.255 12.951 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.881 14.753 11.623 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.355 15.394 13.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.828 17.194 11.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.722 17.195 12.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.263 16.574 11.397 1.00 0.00 H new ATOM 192 N HIS A 23 -5.236 9.279 13.839 1.00 0.00 N ATOM 193 CA HIS A 23 -6.321 8.685 14.671 1.00 0.00 C ATOM 194 C HIS A 23 -6.166 7.162 14.733 1.00 0.00 C ATOM 195 O HIS A 23 -6.160 6.574 15.796 1.00 0.00 O ATOM 196 CB HIS A 23 -7.618 9.062 13.954 1.00 0.00 C ATOM 197 CG HIS A 23 -8.753 9.062 14.940 1.00 0.00 C ATOM 198 ND1 HIS A 23 -9.600 7.976 15.092 1.00 0.00 N ATOM 199 CD2 HIS A 23 -9.196 10.009 15.830 1.00 0.00 C ATOM 200 CE1 HIS A 23 -10.500 8.292 16.040 1.00 0.00 C ATOM 201 NE2 HIS A 23 -10.299 9.521 16.523 1.00 0.00 N ATOM 0 H HIS A 23 -4.697 8.611 13.288 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.301 9.049 15.698 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.520 10.046 13.496 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -7.821 8.355 13.150 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -9.550 7.096 14.578 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.755 10.985 15.971 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -11.289 7.633 16.370 1.00 0.00 H new ATOM 209 N ASN A 24 -6.038 6.522 13.602 1.00 0.00 N ATOM 210 CA ASN A 24 -5.883 5.038 13.599 1.00 0.00 C ATOM 211 C ASN A 24 -4.634 4.637 12.811 1.00 0.00 C ATOM 212 O ASN A 24 -3.934 3.710 13.166 1.00 0.00 O ATOM 213 CB ASN A 24 -7.144 4.507 12.918 1.00 0.00 C ATOM 214 CG ASN A 24 -8.368 4.846 13.771 1.00 0.00 C ATOM 215 OD1 ASN A 24 -9.354 5.346 13.270 1.00 0.00 O ATOM 216 ND2 ASN A 24 -8.343 4.594 15.052 1.00 0.00 N ATOM 0 H ASN A 24 -6.034 6.961 12.681 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.765 4.634 14.604 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.246 4.946 11.926 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.070 3.428 12.783 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.152 4.817 15.632 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.514 4.174 15.473 1.00 0.00 H new ATOM 223 N ILE A 25 -4.349 5.330 11.744 1.00 0.00 N ATOM 224 CA ILE A 25 -3.145 4.991 10.931 1.00 0.00 C ATOM 225 C ILE A 25 -1.907 5.724 11.468 1.00 0.00 C ATOM 226 O ILE A 25 -0.792 5.446 11.068 1.00 0.00 O ATOM 227 CB ILE A 25 -3.476 5.466 9.517 1.00 0.00 C ATOM 228 CG1 ILE A 25 -4.663 4.664 8.977 1.00 0.00 C ATOM 229 CG2 ILE A 25 -2.266 5.251 8.605 1.00 0.00 C ATOM 230 CD1 ILE A 25 -5.221 5.352 7.731 1.00 0.00 C ATOM 0 H ILE A 25 -4.898 6.117 11.399 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.917 3.926 10.963 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.728 6.526 9.542 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.349 3.649 8.735 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.438 4.584 9.739 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.505 5.591 7.597 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.417 5.818 8.987 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.013 4.191 8.580 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.066 4.780 7.347 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.551 6.359 7.988 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.445 5.408 6.968 1.00 0.00 H new ATOM 242 N GLN A 26 -2.088 6.655 12.366 1.00 0.00 N ATOM 243 CA GLN A 26 -0.918 7.399 12.918 1.00 0.00 C ATOM 244 C GLN A 26 0.153 6.422 13.413 1.00 0.00 C ATOM 245 O GLN A 26 1.302 6.497 13.027 1.00 0.00 O ATOM 246 CB GLN A 26 -1.483 8.210 14.084 1.00 0.00 C ATOM 247 CG GLN A 26 -0.363 9.032 14.726 1.00 0.00 C ATOM 248 CD GLN A 26 -0.971 10.114 15.619 1.00 0.00 C ATOM 249 OE1 GLN A 26 -1.176 9.902 16.799 1.00 0.00 O ATOM 250 NE2 GLN A 26 -1.272 11.275 15.106 1.00 0.00 N ATOM 0 H GLN A 26 -2.995 6.933 12.741 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.443 8.033 12.169 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.276 8.870 13.731 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.928 7.543 14.823 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.287 8.384 15.314 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.256 9.489 13.954 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.101 11.455 14.117 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.678 12.003 15.694 1.00 0.00 H new ATOM 259 N ALA A 27 -0.216 5.506 14.266 1.00 0.00 N ATOM 260 CA ALA A 27 0.782 4.527 14.786 1.00 0.00 C ATOM 261 C ALA A 27 1.369 3.702 13.638 1.00 0.00 C ATOM 262 O ALA A 27 2.539 3.374 13.630 1.00 0.00 O ATOM 263 CB ALA A 27 -0.007 3.629 15.741 1.00 0.00 C ATOM 0 H ALA A 27 -1.164 5.393 14.625 1.00 0.00 H new ATOM 0 HA ALA A 27 1.619 5.018 15.282 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.658 2.878 16.168 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.432 4.234 16.542 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.810 3.134 15.195 1.00 0.00 H new ATOM 269 N LEU A 28 0.564 3.362 12.668 1.00 0.00 N ATOM 270 CA LEU A 28 1.073 2.556 11.520 1.00 0.00 C ATOM 271 C LEU A 28 2.067 3.378 10.692 1.00 0.00 C ATOM 272 O LEU A 28 3.111 2.895 10.299 1.00 0.00 O ATOM 273 CB LEU A 28 -0.167 2.225 10.691 1.00 0.00 C ATOM 274 CG LEU A 28 -1.154 1.423 11.541 1.00 0.00 C ATOM 275 CD1 LEU A 28 -2.476 1.278 10.789 1.00 0.00 C ATOM 276 CD2 LEU A 28 -0.571 0.037 11.821 1.00 0.00 C ATOM 0 H LEU A 28 -0.425 3.607 12.620 1.00 0.00 H new ATOM 0 HA LEU A 28 1.599 1.659 11.847 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.637 3.143 10.339 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.116 1.653 9.807 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.330 1.942 12.483 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.179 0.706 11.395 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.890 2.266 10.588 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.303 0.758 9.847 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.272 -0.537 12.427 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.397 -0.482 10.878 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.372 0.141 12.358 1.00 0.00 H new ATOM 288 N LEU A 29 1.748 4.612 10.419 1.00 0.00 N ATOM 289 CA LEU A 29 2.669 5.463 9.612 1.00 0.00 C ATOM 290 C LEU A 29 3.875 5.897 10.451 1.00 0.00 C ATOM 291 O LEU A 29 4.922 6.224 9.928 1.00 0.00 O ATOM 292 CB LEU A 29 1.834 6.678 9.203 1.00 0.00 C ATOM 293 CG LEU A 29 1.544 6.621 7.701 1.00 0.00 C ATOM 294 CD1 LEU A 29 0.822 5.312 7.366 1.00 0.00 C ATOM 295 CD2 LEU A 29 0.659 7.804 7.305 1.00 0.00 C ATOM 0 H LEU A 29 0.888 5.070 10.720 1.00 0.00 H new ATOM 0 HA LEU A 29 3.065 4.930 8.748 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.899 6.695 9.764 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.368 7.597 9.446 1.00 0.00 H new ATOM 0 HG LEU A 29 2.484 6.669 7.151 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.616 5.273 6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.452 4.467 7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.117 5.263 7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.453 7.762 6.235 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.280 7.757 7.857 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.172 8.737 7.540 1.00 0.00 H new ATOM 307 N LYS A 30 3.738 5.903 11.749 1.00 0.00 N ATOM 308 CA LYS A 30 4.880 6.317 12.615 1.00 0.00 C ATOM 309 C LYS A 30 6.120 5.477 12.296 1.00 0.00 C ATOM 310 O LYS A 30 7.086 5.962 11.742 1.00 0.00 O ATOM 311 CB LYS A 30 4.406 6.054 14.045 1.00 0.00 C ATOM 312 CG LYS A 30 3.866 7.351 14.651 1.00 0.00 C ATOM 313 CD LYS A 30 4.874 7.902 15.662 1.00 0.00 C ATOM 314 CE LYS A 30 4.424 9.288 16.130 1.00 0.00 C ATOM 315 NZ LYS A 30 5.069 9.473 17.459 1.00 0.00 N ATOM 0 H LYS A 30 2.887 5.640 12.247 1.00 0.00 H new ATOM 0 HA LYS A 30 5.158 7.360 12.462 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.630 5.289 14.047 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.230 5.674 14.648 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.686 8.084 13.865 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.909 7.166 15.140 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.955 7.228 16.514 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.863 7.963 15.208 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.736 10.062 15.429 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.338 9.346 16.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.808 10.403 17.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.748 8.726 18.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.102 9.420 17.354 1.00 0.00 H new ATOM 329 N ASP A 31 6.098 4.219 12.642 1.00 0.00 N ATOM 330 CA ASP A 31 7.275 3.348 12.363 1.00 0.00 C ATOM 331 C ASP A 31 7.519 3.238 10.853 1.00 0.00 C ATOM 332 O ASP A 31 8.642 3.119 10.406 1.00 0.00 O ATOM 333 CB ASP A 31 6.901 1.983 12.945 1.00 0.00 C ATOM 334 CG ASP A 31 6.950 2.049 14.472 1.00 0.00 C ATOM 335 OD1 ASP A 31 8.015 1.819 15.022 1.00 0.00 O ATOM 336 OD2 ASP A 31 5.921 2.324 15.068 1.00 0.00 O ATOM 0 H ASP A 31 5.316 3.757 13.106 1.00 0.00 H new ATOM 0 HA ASP A 31 8.191 3.745 12.800 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.903 1.696 12.615 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.589 1.220 12.581 1.00 0.00 H new ATOM 341 N SER A 32 6.479 3.272 10.066 1.00 0.00 N ATOM 342 CA SER A 32 6.656 3.162 8.588 1.00 0.00 C ATOM 343 C SER A 32 7.659 4.208 8.089 1.00 0.00 C ATOM 344 O SER A 32 8.616 3.889 7.413 1.00 0.00 O ATOM 345 CB SER A 32 5.270 3.421 8.000 1.00 0.00 C ATOM 346 OG SER A 32 5.043 4.823 7.931 1.00 0.00 O ATOM 0 H SER A 32 5.514 3.371 10.381 1.00 0.00 H new ATOM 0 HA SER A 32 7.047 2.188 8.294 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.196 2.980 7.006 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.506 2.947 8.617 1.00 0.00 H new ATOM 0 HG SER A 32 5.263 5.233 8.793 1.00 0.00 H new ATOM 352 N ILE A 33 7.446 5.453 8.412 1.00 0.00 N ATOM 353 CA ILE A 33 8.389 6.514 7.952 1.00 0.00 C ATOM 354 C ILE A 33 9.799 6.240 8.484 1.00 0.00 C ATOM 355 O ILE A 33 10.783 6.455 7.803 1.00 0.00 O ATOM 356 CB ILE A 33 7.836 7.815 8.535 1.00 0.00 C ATOM 357 CG1 ILE A 33 6.467 8.104 7.917 1.00 0.00 C ATOM 358 CG2 ILE A 33 8.790 8.968 8.216 1.00 0.00 C ATOM 359 CD1 ILE A 33 5.682 9.046 8.834 1.00 0.00 C ATOM 0 H ILE A 33 6.661 5.783 8.974 1.00 0.00 H new ATOM 0 HA ILE A 33 8.466 6.555 6.865 1.00 0.00 H new ATOM 0 HB ILE A 33 7.738 7.715 9.616 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.589 8.555 6.932 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.916 7.174 7.776 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.394 9.894 8.633 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.767 8.763 8.653 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.889 9.070 7.135 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.706 9.252 8.394 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.549 8.577 9.809 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.231 9.980 8.953 1.00 0.00 H new ATOM 371 N VAL A 34 9.903 5.772 9.698 1.00 0.00 N ATOM 372 CA VAL A 34 11.249 5.488 10.278 1.00 0.00 C ATOM 373 C VAL A 34 11.993 4.449 9.434 1.00 0.00 C ATOM 374 O VAL A 34 13.206 4.376 9.453 1.00 0.00 O ATOM 375 CB VAL A 34 10.969 4.941 11.676 1.00 0.00 C ATOM 376 CG1 VAL A 34 12.292 4.609 12.368 1.00 0.00 C ATOM 377 CG2 VAL A 34 10.217 5.994 12.494 1.00 0.00 C ATOM 0 H VAL A 34 9.115 5.574 10.314 1.00 0.00 H new ATOM 0 HA VAL A 34 11.879 6.377 10.303 1.00 0.00 H new ATOM 0 HB VAL A 34 10.363 4.039 11.598 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.093 4.219 13.366 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.829 3.860 11.786 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.898 5.511 12.446 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.017 5.604 13.492 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.824 6.896 12.572 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.274 6.232 12.002 1.00 0.00 H new ATOM 387 N GLN A 35 11.282 3.641 8.695 1.00 0.00 N ATOM 388 CA GLN A 35 11.961 2.610 7.858 1.00 0.00 C ATOM 389 C GLN A 35 11.793 2.932 6.370 1.00 0.00 C ATOM 390 O GLN A 35 12.671 2.682 5.569 1.00 0.00 O ATOM 391 CB GLN A 35 11.265 1.293 8.200 1.00 0.00 C ATOM 392 CG GLN A 35 12.213 0.125 7.916 1.00 0.00 C ATOM 393 CD GLN A 35 12.903 -0.299 9.213 1.00 0.00 C ATOM 394 OE1 GLN A 35 12.617 0.230 10.268 1.00 0.00 O ATOM 395 NE2 GLN A 35 13.810 -1.238 9.178 1.00 0.00 N ATOM 0 H GLN A 35 10.264 3.650 8.634 1.00 0.00 H new ATOM 0 HA GLN A 35 13.032 2.568 8.054 1.00 0.00 H new ATOM 0 HB2 GLN A 35 10.969 1.288 9.249 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.354 1.187 7.611 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.658 -0.714 7.496 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.957 0.418 7.175 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.050 -1.682 8.292 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.278 -1.527 10.037 1.00 0.00 H new ATOM 404 N LEU A 36 10.670 3.485 5.995 1.00 0.00 N ATOM 405 CA LEU A 36 10.450 3.819 4.557 1.00 0.00 C ATOM 406 C LEU A 36 11.638 4.613 4.004 1.00 0.00 C ATOM 407 O LEU A 36 12.004 4.480 2.854 1.00 0.00 O ATOM 408 CB LEU A 36 9.180 4.670 4.536 1.00 0.00 C ATOM 409 CG LEU A 36 8.017 3.845 3.981 1.00 0.00 C ATOM 410 CD1 LEU A 36 8.359 3.352 2.575 1.00 0.00 C ATOM 411 CD2 LEU A 36 7.766 2.642 4.896 1.00 0.00 C ATOM 0 H LEU A 36 9.898 3.719 6.619 1.00 0.00 H new ATOM 0 HA LEU A 36 10.353 2.926 3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.946 5.016 5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.335 5.557 3.922 1.00 0.00 H new ATOM 0 HG LEU A 36 7.122 4.466 3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.528 2.765 2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.538 4.207 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.255 2.732 2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.938 2.052 4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.663 2.024 4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.518 2.992 5.898 1.00 0.00 H new ATOM 423 N CYS A 37 12.244 5.437 4.815 1.00 0.00 N ATOM 424 CA CYS A 37 13.408 6.235 4.331 1.00 0.00 C ATOM 425 C CYS A 37 14.482 5.302 3.762 1.00 0.00 C ATOM 426 O CYS A 37 14.923 5.457 2.641 1.00 0.00 O ATOM 427 CB CYS A 37 13.929 6.967 5.567 1.00 0.00 C ATOM 428 SG CYS A 37 12.974 8.483 5.816 1.00 0.00 S ATOM 0 H CYS A 37 11.985 5.592 5.789 1.00 0.00 H new ATOM 0 HA CYS A 37 13.135 6.929 3.536 1.00 0.00 H new ATOM 0 HB2 CYS A 37 13.848 6.325 6.444 1.00 0.00 H new ATOM 0 HB3 CYS A 37 14.985 7.206 5.443 1.00 0.00 H new ATOM 433 N THR A 38 14.903 4.330 4.527 1.00 0.00 N ATOM 434 CA THR A 38 15.945 3.384 4.031 1.00 0.00 C ATOM 435 C THR A 38 15.296 2.183 3.330 1.00 0.00 C ATOM 436 O THR A 38 15.970 1.268 2.903 1.00 0.00 O ATOM 437 CB THR A 38 16.688 2.926 5.288 1.00 0.00 C ATOM 438 OG1 THR A 38 17.072 4.061 6.049 1.00 0.00 O ATOM 439 CG2 THR A 38 17.930 2.131 4.889 1.00 0.00 C ATOM 0 H THR A 38 14.570 4.150 5.474 1.00 0.00 H new ATOM 0 HA THR A 38 16.609 3.852 3.303 1.00 0.00 H new ATOM 0 HB THR A 38 16.033 2.293 5.886 1.00 0.00 H new ATOM 0 HG1 THR A 38 17.546 3.769 6.855 1.00 0.00 H new ATOM 0 HG21 THR A 38 18.458 1.806 5.786 1.00 0.00 H new ATOM 0 HG22 THR A 38 17.632 1.259 4.307 1.00 0.00 H new ATOM 0 HG23 THR A 38 18.588 2.760 4.289 1.00 0.00 H new ATOM 447 N ALA A 39 13.992 2.172 3.209 1.00 0.00 N ATOM 448 CA ALA A 39 13.318 1.024 2.540 1.00 0.00 C ATOM 449 C ALA A 39 13.310 1.211 1.021 1.00 0.00 C ATOM 450 O ALA A 39 13.325 2.317 0.517 1.00 0.00 O ATOM 451 CB ALA A 39 11.889 1.034 3.083 1.00 0.00 C ATOM 0 H ALA A 39 13.369 2.907 3.544 1.00 0.00 H new ATOM 0 HA ALA A 39 13.829 0.082 2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.325 0.215 2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.910 0.912 4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.412 1.982 2.834 1.00 0.00 H new ATOM 457 N ARG A 40 13.275 0.131 0.288 1.00 0.00 N ATOM 458 CA ARG A 40 13.254 0.231 -1.200 1.00 0.00 C ATOM 459 C ARG A 40 12.159 -0.688 -1.760 1.00 0.00 C ATOM 460 O ARG A 40 12.430 -1.543 -2.580 1.00 0.00 O ATOM 461 CB ARG A 40 14.638 -0.240 -1.652 1.00 0.00 C ATOM 462 CG ARG A 40 15.560 0.970 -1.820 1.00 0.00 C ATOM 463 CD ARG A 40 16.991 0.577 -1.453 1.00 0.00 C ATOM 464 NE ARG A 40 17.369 -0.468 -2.444 1.00 0.00 N ATOM 465 CZ ARG A 40 18.181 -1.430 -2.102 1.00 0.00 C ATOM 466 NH1 ARG A 40 19.471 -1.256 -2.187 1.00 0.00 N ATOM 467 NH2 ARG A 40 17.702 -2.567 -1.675 1.00 0.00 N ATOM 0 H ARG A 40 13.260 -0.820 0.657 1.00 0.00 H new ATOM 0 HA ARG A 40 13.041 1.241 -1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 40 15.056 -0.930 -0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 40 14.559 -0.784 -2.593 1.00 0.00 H new ATOM 0 HG2 ARG A 40 15.523 1.329 -2.849 1.00 0.00 H new ATOM 0 HG3 ARG A 40 15.222 1.789 -1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 40 17.662 1.434 -1.508 1.00 0.00 H new ATOM 0 HD3 ARG A 40 17.046 0.193 -0.434 1.00 0.00 H new ATOM 0 HE ARG A 40 16.993 -0.432 -3.391 1.00 0.00 H new ATOM 0 HH11 ARG A 40 19.845 -0.368 -2.521 1.00 0.00 H new ATOM 0 HH12 ARG A 40 20.106 -2.008 -1.920 1.00 0.00 H new ATOM 0 HH21 ARG A 40 16.693 -2.703 -1.609 1.00 0.00 H new ATOM 0 HH22 ARG A 40 18.337 -3.319 -1.408 1.00 0.00 H new ATOM 481 N PRO A 41 10.955 -0.485 -1.285 1.00 0.00 N ATOM 482 CA PRO A 41 9.809 -1.317 -1.735 1.00 0.00 C ATOM 483 C PRO A 41 9.406 -0.964 -3.170 1.00 0.00 C ATOM 484 O PRO A 41 8.942 0.124 -3.445 1.00 0.00 O ATOM 485 CB PRO A 41 8.695 -0.955 -0.757 1.00 0.00 C ATOM 486 CG PRO A 41 9.044 0.411 -0.258 1.00 0.00 C ATOM 487 CD PRO A 41 10.545 0.524 -0.297 1.00 0.00 C ATOM 0 HA PRO A 41 10.039 -2.382 -1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.722 -0.959 -1.249 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.641 -1.672 0.062 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.583 1.178 -0.880 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.672 0.558 0.756 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.862 1.524 -0.593 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.985 0.327 0.680 1.00 0.00 H new ATOM 495 N GLU A 42 9.569 -1.881 -4.085 1.00 0.00 N ATOM 496 CA GLU A 42 9.180 -1.598 -5.497 1.00 0.00 C ATOM 497 C GLU A 42 7.671 -1.353 -5.565 1.00 0.00 C ATOM 498 O GLU A 42 7.210 -0.402 -6.162 1.00 0.00 O ATOM 499 CB GLU A 42 9.556 -2.860 -6.277 1.00 0.00 C ATOM 500 CG GLU A 42 11.031 -3.193 -6.036 1.00 0.00 C ATOM 501 CD GLU A 42 11.621 -3.836 -7.293 1.00 0.00 C ATOM 502 OE1 GLU A 42 11.002 -4.748 -7.816 1.00 0.00 O ATOM 503 OE2 GLU A 42 12.683 -3.408 -7.711 1.00 0.00 O ATOM 0 H GLU A 42 9.953 -2.811 -3.917 1.00 0.00 H new ATOM 0 HA GLU A 42 9.675 -0.716 -5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.929 -3.694 -5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.376 -2.709 -7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.583 -2.287 -5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.128 -3.871 -5.188 1.00 0.00 H new ATOM 510 N ARG A 43 6.902 -2.205 -4.941 1.00 0.00 N ATOM 511 CA ARG A 43 5.423 -2.027 -4.948 1.00 0.00 C ATOM 512 C ARG A 43 4.919 -1.884 -3.506 1.00 0.00 C ATOM 513 O ARG A 43 4.794 -2.863 -2.798 1.00 0.00 O ATOM 514 CB ARG A 43 4.867 -3.300 -5.587 1.00 0.00 C ATOM 515 CG ARG A 43 3.505 -3.000 -6.217 1.00 0.00 C ATOM 516 CD ARG A 43 2.825 -4.309 -6.621 1.00 0.00 C ATOM 517 NE ARG A 43 2.623 -4.199 -8.093 1.00 0.00 N ATOM 518 CZ ARG A 43 1.416 -4.117 -8.582 1.00 0.00 C ATOM 519 NH1 ARG A 43 0.723 -3.022 -8.430 1.00 0.00 N ATOM 520 NH2 ARG A 43 0.901 -5.131 -9.222 1.00 0.00 N ATOM 0 H ARG A 43 7.237 -3.019 -4.425 1.00 0.00 H new ATOM 0 HA ARG A 43 5.111 -1.137 -5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.557 -3.671 -6.345 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.768 -4.084 -4.836 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.878 -2.456 -5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.630 -2.359 -7.090 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.445 -5.170 -6.371 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.876 -4.438 -6.101 1.00 0.00 H new ATOM 0 HE ARG A 43 3.428 -4.188 -8.719 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.125 -2.230 -7.929 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.220 -2.958 -8.812 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.442 -5.988 -9.340 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.043 -5.067 -9.604 1.00 0.00 H new ATOM 534 N PRO A 44 4.652 -0.662 -3.111 1.00 0.00 N ATOM 535 CA PRO A 44 4.167 -0.408 -1.730 1.00 0.00 C ATOM 536 C PRO A 44 2.736 -0.928 -1.553 1.00 0.00 C ATOM 537 O PRO A 44 2.256 -1.079 -0.448 1.00 0.00 O ATOM 538 CB PRO A 44 4.220 1.114 -1.610 1.00 0.00 C ATOM 539 CG PRO A 44 4.122 1.616 -3.014 1.00 0.00 C ATOM 540 CD PRO A 44 4.766 0.576 -3.893 1.00 0.00 C ATOM 0 HA PRO A 44 4.761 -0.912 -0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.400 1.490 -0.998 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.146 1.441 -1.138 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.081 1.771 -3.297 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.627 2.576 -3.117 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.256 0.492 -4.853 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.807 0.821 -4.106 1.00 0.00 H new ATOM 548 N MET A 45 2.054 -1.207 -2.630 1.00 0.00 N ATOM 549 CA MET A 45 0.660 -1.721 -2.514 1.00 0.00 C ATOM 550 C MET A 45 0.641 -3.006 -1.680 1.00 0.00 C ATOM 551 O MET A 45 -0.113 -3.134 -0.736 1.00 0.00 O ATOM 552 CB MET A 45 0.222 -2.010 -3.950 1.00 0.00 C ATOM 553 CG MET A 45 -1.188 -1.463 -4.174 1.00 0.00 C ATOM 554 SD MET A 45 -1.089 0.253 -4.742 1.00 0.00 S ATOM 555 CE MET A 45 -2.841 0.461 -5.142 1.00 0.00 C ATOM 0 H MET A 45 2.401 -1.102 -3.583 1.00 0.00 H new ATOM 0 HA MET A 45 -0.003 -1.010 -2.022 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.917 -1.551 -4.653 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.241 -3.083 -4.138 1.00 0.00 H new ATOM 0 HG2 MET A 45 -1.712 -2.071 -4.911 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.762 -1.518 -3.249 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.011 1.470 -5.519 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.129 -0.264 -5.903 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.440 0.303 -4.245 1.00 0.00 H new ATOM 565 N ALA A 46 1.466 -3.959 -2.021 1.00 0.00 N ATOM 566 CA ALA A 46 1.497 -5.234 -1.250 1.00 0.00 C ATOM 567 C ALA A 46 2.471 -5.120 -0.072 1.00 0.00 C ATOM 568 O ALA A 46 2.403 -5.877 0.876 1.00 0.00 O ATOM 569 CB ALA A 46 1.982 -6.286 -2.246 1.00 0.00 C ATOM 0 H ALA A 46 2.121 -3.909 -2.802 1.00 0.00 H new ATOM 0 HA ALA A 46 0.523 -5.486 -0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.032 -7.257 -1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.288 -6.340 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.972 -6.012 -2.611 1.00 0.00 H new ATOM 575 N PHE A 47 3.376 -4.182 -0.126 1.00 0.00 N ATOM 576 CA PHE A 47 4.354 -4.022 0.989 1.00 0.00 C ATOM 577 C PHE A 47 3.620 -3.801 2.316 1.00 0.00 C ATOM 578 O PHE A 47 4.044 -4.268 3.354 1.00 0.00 O ATOM 579 CB PHE A 47 5.176 -2.788 0.618 1.00 0.00 C ATOM 580 CG PHE A 47 6.258 -2.574 1.648 1.00 0.00 C ATOM 581 CD1 PHE A 47 7.313 -3.508 1.770 1.00 0.00 C ATOM 582 CD2 PHE A 47 6.217 -1.442 2.489 1.00 0.00 C ATOM 583 CE1 PHE A 47 8.325 -3.307 2.733 1.00 0.00 C ATOM 584 CE2 PHE A 47 7.231 -1.240 3.454 1.00 0.00 C ATOM 585 CZ PHE A 47 8.285 -2.173 3.577 1.00 0.00 C ATOM 0 H PHE A 47 3.481 -3.519 -0.894 1.00 0.00 H new ATOM 0 HA PHE A 47 4.979 -4.906 1.119 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.620 -2.917 -0.369 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.531 -1.911 0.565 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.344 -4.375 1.126 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.411 -0.729 2.396 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.131 -4.020 2.825 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.200 -0.373 4.097 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.059 -2.020 4.315 1.00 0.00 H new ATOM 595 N LEU A 48 2.524 -3.092 2.291 1.00 0.00 N ATOM 596 CA LEU A 48 1.769 -2.843 3.554 1.00 0.00 C ATOM 597 C LEU A 48 1.463 -4.168 4.259 1.00 0.00 C ATOM 598 O LEU A 48 1.626 -4.299 5.457 1.00 0.00 O ATOM 599 CB LEU A 48 0.475 -2.156 3.114 1.00 0.00 C ATOM 600 CG LEU A 48 -0.185 -1.487 4.323 1.00 0.00 C ATOM 601 CD1 LEU A 48 0.205 -0.009 4.367 1.00 0.00 C ATOM 602 CD2 LEU A 48 -1.706 -1.607 4.205 1.00 0.00 C ATOM 0 H LEU A 48 2.119 -2.675 1.453 1.00 0.00 H new ATOM 0 HA LEU A 48 2.334 -2.233 4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.688 -1.413 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.204 -2.885 2.673 1.00 0.00 H new ATOM 0 HG LEU A 48 0.151 -1.979 5.236 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.265 0.466 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.288 0.079 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.129 0.483 3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.176 -1.131 5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.040 -1.116 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.987 -2.660 4.174 1.00 0.00 H new ATOM 614 N ARG A 49 1.019 -5.150 3.525 1.00 0.00 N ATOM 615 CA ARG A 49 0.702 -6.466 4.152 1.00 0.00 C ATOM 616 C ARG A 49 1.962 -7.067 4.781 1.00 0.00 C ATOM 617 O ARG A 49 2.004 -7.343 5.964 1.00 0.00 O ATOM 618 CB ARG A 49 0.206 -7.344 3.004 1.00 0.00 C ATOM 619 CG ARG A 49 -0.094 -8.751 3.526 1.00 0.00 C ATOM 620 CD ARG A 49 0.889 -9.747 2.906 1.00 0.00 C ATOM 621 NE ARG A 49 0.042 -10.871 2.422 1.00 0.00 N ATOM 622 CZ ARG A 49 0.265 -12.085 2.849 1.00 0.00 C ATOM 623 NH1 ARG A 49 0.511 -12.298 4.111 1.00 0.00 N ATOM 624 NH2 ARG A 49 0.242 -13.083 2.010 1.00 0.00 N ATOM 0 H ARG A 49 0.862 -5.099 2.518 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.040 -6.377 4.946 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.691 -6.910 2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.958 -7.390 2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.012 -8.772 4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.118 -9.032 3.278 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.448 -9.293 2.088 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.619 -10.090 3.639 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.712 -10.694 1.758 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.529 -11.516 4.766 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.685 -13.246 4.444 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.050 -12.915 1.022 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.416 -14.032 2.341 1.00 0.00 H new ATOM 638 N GLU A 50 2.986 -7.270 4.001 1.00 0.00 N ATOM 639 CA GLU A 50 4.243 -7.853 4.555 1.00 0.00 C ATOM 640 C GLU A 50 4.947 -6.845 5.473 1.00 0.00 C ATOM 641 O GLU A 50 5.854 -7.191 6.203 1.00 0.00 O ATOM 642 CB GLU A 50 5.108 -8.156 3.329 1.00 0.00 C ATOM 643 CG GLU A 50 5.954 -9.401 3.598 1.00 0.00 C ATOM 644 CD GLU A 50 6.425 -9.993 2.268 1.00 0.00 C ATOM 645 OE1 GLU A 50 5.577 -10.315 1.452 1.00 0.00 O ATOM 646 OE2 GLU A 50 7.626 -10.115 2.089 1.00 0.00 O ATOM 0 H GLU A 50 3.009 -7.058 3.004 1.00 0.00 H new ATOM 0 HA GLU A 50 4.053 -8.742 5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.476 -8.314 2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.753 -7.306 3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.812 -9.144 4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.371 -10.138 4.150 1.00 0.00 H new ATOM 653 N TYR A 51 4.541 -5.603 5.440 1.00 0.00 N ATOM 654 CA TYR A 51 5.195 -4.584 6.310 1.00 0.00 C ATOM 655 C TYR A 51 4.863 -4.848 7.785 1.00 0.00 C ATOM 656 O TYR A 51 5.679 -5.344 8.535 1.00 0.00 O ATOM 657 CB TYR A 51 4.619 -3.239 5.842 1.00 0.00 C ATOM 658 CG TYR A 51 4.954 -2.153 6.841 1.00 0.00 C ATOM 659 CD1 TYR A 51 6.293 -1.954 7.248 1.00 0.00 C ATOM 660 CD2 TYR A 51 3.926 -1.346 7.376 1.00 0.00 C ATOM 661 CE1 TYR A 51 6.603 -0.949 8.190 1.00 0.00 C ATOM 662 CE2 TYR A 51 4.234 -0.341 8.319 1.00 0.00 C ATOM 663 CZ TYR A 51 5.574 -0.142 8.725 1.00 0.00 C ATOM 664 OH TYR A 51 5.879 0.838 9.651 1.00 0.00 O ATOM 0 H TYR A 51 3.787 -5.252 4.850 1.00 0.00 H new ATOM 0 HA TYR A 51 6.282 -4.605 6.233 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.025 -2.982 4.864 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.538 -3.318 5.728 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.079 -2.571 6.838 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.903 -1.498 7.064 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.626 -0.797 8.501 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.447 0.275 8.730 1.00 0.00 H new ATOM 0 HH TYR A 51 6.782 0.687 10.002 1.00 0.00 H new ATOM 674 N PHE A 52 3.674 -4.508 8.209 1.00 0.00 N ATOM 675 CA PHE A 52 3.306 -4.730 9.639 1.00 0.00 C ATOM 676 C PHE A 52 3.263 -6.227 9.961 1.00 0.00 C ATOM 677 O PHE A 52 3.279 -6.621 11.111 1.00 0.00 O ATOM 678 CB PHE A 52 1.924 -4.097 9.805 1.00 0.00 C ATOM 679 CG PHE A 52 1.928 -3.207 11.024 1.00 0.00 C ATOM 680 CD1 PHE A 52 2.307 -1.851 10.908 1.00 0.00 C ATOM 681 CD2 PHE A 52 1.557 -3.730 12.284 1.00 0.00 C ATOM 682 CE1 PHE A 52 2.314 -1.019 12.049 1.00 0.00 C ATOM 683 CE2 PHE A 52 1.565 -2.897 13.425 1.00 0.00 C ATOM 684 CZ PHE A 52 1.944 -1.541 13.309 1.00 0.00 C ATOM 0 H PHE A 52 2.946 -4.089 7.631 1.00 0.00 H new ATOM 0 HA PHE A 52 4.035 -4.289 10.319 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.667 -3.518 8.918 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.166 -4.873 9.909 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.592 -1.450 9.946 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.267 -4.767 12.374 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.603 0.018 11.959 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.281 -3.297 14.387 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.951 -0.905 14.182 1.00 0.00 H new ATOM 694 N GLU A 53 3.213 -7.066 8.963 1.00 0.00 N ATOM 695 CA GLU A 53 3.175 -8.533 9.228 1.00 0.00 C ATOM 696 C GLU A 53 4.509 -8.989 9.828 1.00 0.00 C ATOM 697 O GLU A 53 4.548 -9.781 10.749 1.00 0.00 O ATOM 698 CB GLU A 53 2.947 -9.181 7.861 1.00 0.00 C ATOM 699 CG GLU A 53 3.025 -10.704 7.991 1.00 0.00 C ATOM 700 CD GLU A 53 3.098 -11.331 6.598 1.00 0.00 C ATOM 701 OE1 GLU A 53 4.054 -11.051 5.894 1.00 0.00 O ATOM 702 OE2 GLU A 53 2.199 -12.083 6.261 1.00 0.00 O ATOM 0 H GLU A 53 3.197 -6.801 7.978 1.00 0.00 H new ATOM 0 HA GLU A 53 2.395 -8.807 9.938 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.973 -8.890 7.468 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.696 -8.828 7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.901 -10.986 8.575 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.152 -11.079 8.525 1.00 0.00 H new ATOM 709 N LYS A 54 5.602 -8.493 9.314 1.00 0.00 N ATOM 710 CA LYS A 54 6.931 -8.896 9.855 1.00 0.00 C ATOM 711 C LYS A 54 7.346 -7.948 10.982 1.00 0.00 C ATOM 712 O LYS A 54 8.112 -8.302 11.856 1.00 0.00 O ATOM 713 CB LYS A 54 7.893 -8.777 8.672 1.00 0.00 C ATOM 714 CG LYS A 54 7.577 -9.865 7.643 1.00 0.00 C ATOM 715 CD LYS A 54 8.481 -9.693 6.423 1.00 0.00 C ATOM 716 CE LYS A 54 8.492 -10.987 5.605 1.00 0.00 C ATOM 717 NZ LYS A 54 9.758 -10.937 4.823 1.00 0.00 N ATOM 0 H LYS A 54 5.632 -7.826 8.543 1.00 0.00 H new ATOM 0 HA LYS A 54 6.922 -9.903 10.271 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.803 -7.792 8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.923 -8.875 9.016 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.727 -10.851 8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.530 -9.805 7.344 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.126 -8.866 5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.493 -9.443 6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.462 -11.863 6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.624 -11.046 4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.838 -11.792 4.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.755 -10.096 4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.567 -10.888 5.475 1.00 0.00 H new ATOM 731 N LEU A 55 6.844 -6.744 10.970 1.00 0.00 N ATOM 732 CA LEU A 55 7.208 -5.769 12.041 1.00 0.00 C ATOM 733 C LEU A 55 6.647 -6.229 13.388 1.00 0.00 C ATOM 734 O LEU A 55 7.170 -5.898 14.435 1.00 0.00 O ATOM 735 CB LEU A 55 6.555 -4.453 11.612 1.00 0.00 C ATOM 736 CG LEU A 55 7.623 -3.487 11.091 1.00 0.00 C ATOM 737 CD1 LEU A 55 8.594 -3.139 12.223 1.00 0.00 C ATOM 738 CD2 LEU A 55 8.392 -4.144 9.938 1.00 0.00 C ATOM 0 H LEU A 55 6.197 -6.391 10.265 1.00 0.00 H new ATOM 0 HA LEU A 55 8.287 -5.672 12.163 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.813 -4.641 10.836 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.028 -4.006 12.455 1.00 0.00 H new ATOM 0 HG LEU A 55 7.143 -2.576 10.732 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.354 -2.451 11.852 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.047 -2.669 13.040 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.073 -4.049 12.584 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.152 -3.455 9.568 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.871 -5.056 10.293 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.700 -4.388 9.132 1.00 0.00 H new ATOM 750 N GLU A 56 5.589 -6.991 13.372 1.00 0.00 N ATOM 751 CA GLU A 56 4.995 -7.471 14.653 1.00 0.00 C ATOM 752 C GLU A 56 6.000 -8.338 15.418 1.00 0.00 C ATOM 753 O GLU A 56 5.865 -8.558 16.605 1.00 0.00 O ATOM 754 CB GLU A 56 3.778 -8.301 14.240 1.00 0.00 C ATOM 755 CG GLU A 56 2.624 -8.032 15.207 1.00 0.00 C ATOM 756 CD GLU A 56 2.781 -8.913 16.447 1.00 0.00 C ATOM 757 OE1 GLU A 56 3.467 -9.918 16.352 1.00 0.00 O ATOM 758 OE2 GLU A 56 2.212 -8.569 17.471 1.00 0.00 O ATOM 0 H GLU A 56 5.109 -7.303 12.528 1.00 0.00 H new ATOM 0 HA GLU A 56 4.724 -6.647 15.313 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.480 -8.048 13.223 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.030 -9.362 14.244 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.614 -6.981 15.494 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.671 -8.239 14.719 1.00 0.00 H new ATOM 765 N LYS A 57 7.006 -8.833 14.750 1.00 0.00 N ATOM 766 CA LYS A 57 8.014 -9.686 15.445 1.00 0.00 C ATOM 767 C LYS A 57 9.155 -8.826 15.998 1.00 0.00 C ATOM 768 O LYS A 57 10.219 -9.321 16.309 1.00 0.00 O ATOM 769 CB LYS A 57 8.534 -10.639 14.369 1.00 0.00 C ATOM 770 CG LYS A 57 7.748 -11.950 14.423 1.00 0.00 C ATOM 771 CD LYS A 57 8.438 -12.920 15.384 1.00 0.00 C ATOM 772 CE LYS A 57 7.639 -14.224 15.456 1.00 0.00 C ATOM 773 NZ LYS A 57 6.826 -14.108 16.699 1.00 0.00 N ATOM 0 H LYS A 57 7.174 -8.685 13.755 1.00 0.00 H new ATOM 0 HA LYS A 57 7.585 -10.220 16.293 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.432 -10.182 13.384 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.596 -10.833 14.523 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.726 -11.760 14.752 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.686 -12.390 13.428 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.454 -13.122 15.046 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.515 -12.473 16.375 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.004 -14.347 14.579 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.299 -15.090 15.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.250 -14.966 16.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.458 -13.999 17.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.202 -13.279 16.630 1.00 0.00 H new ATOM 787 N GLU A 58 8.943 -7.545 16.129 1.00 0.00 N ATOM 788 CA GLU A 58 10.019 -6.663 16.667 1.00 0.00 C ATOM 789 C GLU A 58 10.037 -6.731 18.195 1.00 0.00 C ATOM 790 O GLU A 58 11.037 -6.452 18.829 1.00 0.00 O ATOM 791 CB GLU A 58 9.653 -5.256 16.194 1.00 0.00 C ATOM 792 CG GLU A 58 10.826 -4.307 16.460 1.00 0.00 C ATOM 793 CD GLU A 58 11.428 -3.857 15.129 1.00 0.00 C ATOM 794 OE1 GLU A 58 10.877 -2.948 14.529 1.00 0.00 O ATOM 795 OE2 GLU A 58 12.431 -4.426 14.732 1.00 0.00 O ATOM 0 H GLU A 58 8.073 -7.071 15.887 1.00 0.00 H new ATOM 0 HA GLU A 58 11.010 -6.960 16.324 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.415 -5.269 15.130 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.762 -4.906 16.715 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.486 -3.442 17.029 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.583 -4.808 17.063 1.00 0.00 H new ATOM 802 N GLU A 59 8.938 -7.101 18.793 1.00 0.00 N ATOM 803 CA GLU A 59 8.887 -7.192 20.281 1.00 0.00 C ATOM 804 C GLU A 59 7.603 -7.898 20.722 1.00 0.00 C ATOM 805 O GLU A 59 6.564 -7.755 20.107 1.00 0.00 O ATOM 806 CB GLU A 59 8.899 -5.742 20.768 1.00 0.00 C ATOM 807 CG GLU A 59 9.665 -5.654 22.090 1.00 0.00 C ATOM 808 CD GLU A 59 9.556 -4.236 22.651 1.00 0.00 C ATOM 809 OE1 GLU A 59 9.421 -3.316 21.861 1.00 0.00 O ATOM 810 OE2 GLU A 59 9.611 -4.093 23.861 1.00 0.00 O ATOM 0 H GLU A 59 8.071 -7.345 18.315 1.00 0.00 H new ATOM 0 HA GLU A 59 9.720 -7.764 20.690 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.366 -5.100 20.021 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.878 -5.384 20.902 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.261 -6.371 22.805 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.712 -5.915 21.934 1.00 0.00 H new ATOM 817 N ALA A 60 7.665 -8.657 21.781 1.00 0.00 N ATOM 818 CA ALA A 60 6.445 -9.371 22.257 1.00 0.00 C ATOM 819 C ALA A 60 6.605 -9.768 23.727 1.00 0.00 C ATOM 820 O ALA A 60 7.451 -10.569 24.076 1.00 0.00 O ATOM 821 CB ALA A 60 6.342 -10.614 21.373 1.00 0.00 C ATOM 0 H ALA A 60 8.506 -8.814 22.337 1.00 0.00 H new ATOM 0 HA ALA A 60 5.551 -8.750 22.191 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.466 -11.194 21.662 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.249 -10.312 20.330 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.237 -11.223 21.496 1.00 0.00 H new ATOM 827 N LYS A 61 5.798 -9.216 24.592 1.00 0.00 N ATOM 828 CA LYS A 61 5.906 -9.563 26.039 1.00 0.00 C ATOM 829 C LYS A 61 7.341 -9.355 26.528 1.00 0.00 C ATOM 830 O LYS A 61 8.033 -8.540 25.943 1.00 0.00 O ATOM 831 CB LYS A 61 5.517 -11.040 26.121 1.00 0.00 C ATOM 832 CG LYS A 61 4.284 -11.196 27.013 1.00 0.00 C ATOM 833 CD LYS A 61 4.217 -12.628 27.545 1.00 0.00 C ATOM 834 CE LYS A 61 3.394 -12.660 28.831 1.00 0.00 C ATOM 835 NZ LYS A 61 3.008 -14.087 29.007 1.00 0.00 N ATOM 836 OXT LYS A 61 7.724 -10.018 27.479 1.00 0.00 O ATOM 0 H LYS A 61 5.069 -8.541 24.360 1.00 0.00 H new ATOM 0 HA LYS A 61 5.267 -8.938 26.663 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.309 -11.428 25.124 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.346 -11.623 26.523 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.331 -10.490 27.843 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.381 -10.964 26.448 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.769 -13.283 26.798 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.223 -13.003 27.736 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.975 -12.301 29.680 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.515 -12.020 28.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.439 -14.189 29.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.450 -14.399 28.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.865 -14.671 29.086 1.00 0.00 H new TER 850 LYS A 61 ATOM 851 N SER B 12 19.793 13.137 7.140 1.00 0.00 N ATOM 852 CA SER B 12 18.927 14.332 7.359 1.00 0.00 C ATOM 853 C SER B 12 17.450 13.944 7.236 1.00 0.00 C ATOM 854 O SER B 12 17.016 13.431 6.225 1.00 0.00 O ATOM 855 CB SER B 12 19.321 15.312 6.257 1.00 0.00 C ATOM 856 OG SER B 12 20.460 16.052 6.671 1.00 0.00 O ATOM 0 HA SER B 12 19.058 14.763 8.351 1.00 0.00 H new ATOM 0 HB2 SER B 12 19.539 14.772 5.336 1.00 0.00 H new ATOM 0 HB3 SER B 12 18.493 15.987 6.042 1.00 0.00 H new ATOM 0 HG SER B 12 20.716 16.681 5.964 1.00 0.00 H new ATOM 864 N LEU B 13 16.676 14.185 8.259 1.00 0.00 N ATOM 865 CA LEU B 13 15.229 13.828 8.199 1.00 0.00 C ATOM 866 C LEU B 13 14.524 14.643 7.113 1.00 0.00 C ATOM 867 O LEU B 13 13.692 14.137 6.387 1.00 0.00 O ATOM 868 CB LEU B 13 14.671 14.179 9.579 1.00 0.00 C ATOM 869 CG LEU B 13 13.991 12.951 10.183 1.00 0.00 C ATOM 870 CD1 LEU B 13 15.052 11.963 10.669 1.00 0.00 C ATOM 871 CD2 LEU B 13 13.115 13.382 11.362 1.00 0.00 C ATOM 0 H LEU B 13 16.982 14.613 9.133 1.00 0.00 H new ATOM 0 HA LEU B 13 15.077 12.777 7.955 1.00 0.00 H new ATOM 0 HB2 LEU B 13 15.475 14.520 10.232 1.00 0.00 H new ATOM 0 HB3 LEU B 13 13.957 14.999 9.496 1.00 0.00 H new ATOM 0 HG LEU B 13 13.371 12.471 9.425 1.00 0.00 H new ATOM 0 HD11 LEU B 13 14.565 11.088 11.099 1.00 0.00 H new ATOM 0 HD12 LEU B 13 15.674 11.655 9.829 1.00 0.00 H new ATOM 0 HD13 LEU B 13 15.674 12.441 11.426 1.00 0.00 H new ATOM 0 HD21 LEU B 13 12.629 12.507 11.794 1.00 0.00 H new ATOM 0 HD22 LEU B 13 13.734 13.863 12.119 1.00 0.00 H new ATOM 0 HD23 LEU B 13 12.356 14.083 11.014 1.00 0.00 H new ATOM 883 N ARG B 14 14.849 15.900 6.997 1.00 0.00 N ATOM 884 CA ARG B 14 14.196 16.747 5.958 1.00 0.00 C ATOM 885 C ARG B 14 14.358 16.108 4.576 1.00 0.00 C ATOM 886 O ARG B 14 13.509 16.238 3.716 1.00 0.00 O ATOM 887 CB ARG B 14 14.929 18.087 6.019 1.00 0.00 C ATOM 888 CG ARG B 14 14.073 19.105 6.776 1.00 0.00 C ATOM 889 CD ARG B 14 14.685 20.498 6.623 1.00 0.00 C ATOM 890 NE ARG B 14 15.973 20.435 7.366 1.00 0.00 N ATOM 891 CZ ARG B 14 16.135 21.143 8.451 1.00 0.00 C ATOM 892 NH1 ARG B 14 15.185 21.201 9.343 1.00 0.00 N ATOM 893 NH2 ARG B 14 17.249 21.794 8.644 1.00 0.00 N ATOM 0 H ARG B 14 15.539 16.379 7.576 1.00 0.00 H new ATOM 0 HA ARG B 14 13.126 16.861 6.131 1.00 0.00 H new ATOM 0 HB2 ARG B 14 15.891 17.965 6.516 1.00 0.00 H new ATOM 0 HB3 ARG B 14 15.134 18.447 5.011 1.00 0.00 H new ATOM 0 HG2 ARG B 14 13.054 19.099 6.389 1.00 0.00 H new ATOM 0 HG3 ARG B 14 14.015 18.835 7.830 1.00 0.00 H new ATOM 0 HD2 ARG B 14 14.846 20.746 5.574 1.00 0.00 H new ATOM 0 HD3 ARG B 14 14.029 21.265 7.034 1.00 0.00 H new ATOM 0 HE ARG B 14 16.729 19.839 7.028 1.00 0.00 H new ATOM 0 HH11 ARG B 14 14.313 20.693 9.194 1.00 0.00 H new ATOM 0 HH12 ARG B 14 15.314 21.755 10.190 1.00 0.00 H new ATOM 0 HH21 ARG B 14 17.993 21.750 7.947 1.00 0.00 H new ATOM 0 HH22 ARG B 14 17.376 22.347 9.491 1.00 0.00 H new ATOM 907 N GLU B 15 15.445 15.420 4.356 1.00 0.00 N ATOM 908 CA GLU B 15 15.665 14.773 3.030 1.00 0.00 C ATOM 909 C GLU B 15 14.566 13.745 2.747 1.00 0.00 C ATOM 910 O GLU B 15 14.281 13.423 1.612 1.00 0.00 O ATOM 911 CB GLU B 15 17.024 14.085 3.148 1.00 0.00 C ATOM 912 CG GLU B 15 17.470 13.591 1.772 1.00 0.00 C ATOM 913 CD GLU B 15 18.758 12.777 1.915 1.00 0.00 C ATOM 914 OE1 GLU B 15 18.819 11.957 2.818 1.00 0.00 O ATOM 915 OE2 GLU B 15 19.659 12.985 1.122 1.00 0.00 O ATOM 0 H GLU B 15 16.191 15.278 5.037 1.00 0.00 H new ATOM 0 HA GLU B 15 15.640 15.493 2.212 1.00 0.00 H new ATOM 0 HB2 GLU B 15 17.760 14.779 3.553 1.00 0.00 H new ATOM 0 HB3 GLU B 15 16.960 13.248 3.843 1.00 0.00 H new ATOM 0 HG2 GLU B 15 16.688 12.979 1.323 1.00 0.00 H new ATOM 0 HG3 GLU B 15 17.634 14.438 1.105 1.00 0.00 H new ATOM 922 N CYS B 16 13.947 13.226 3.773 1.00 0.00 N ATOM 923 CA CYS B 16 12.867 12.219 3.560 1.00 0.00 C ATOM 924 C CYS B 16 11.503 12.909 3.430 1.00 0.00 C ATOM 925 O CYS B 16 10.469 12.275 3.499 1.00 0.00 O ATOM 926 CB CYS B 16 12.901 11.337 4.808 1.00 0.00 C ATOM 927 SG CYS B 16 13.668 9.749 4.404 1.00 0.00 S ATOM 0 H CYS B 16 14.142 13.455 4.748 1.00 0.00 H new ATOM 0 HA CYS B 16 13.017 11.646 2.645 1.00 0.00 H new ATOM 0 HB2 CYS B 16 13.461 11.832 5.601 1.00 0.00 H new ATOM 0 HB3 CYS B 16 11.890 11.180 5.183 1.00 0.00 H new ATOM 932 N GLU B 17 11.492 14.201 3.246 1.00 0.00 N ATOM 933 CA GLU B 17 10.195 14.923 3.114 1.00 0.00 C ATOM 934 C GLU B 17 9.410 14.401 1.908 1.00 0.00 C ATOM 935 O GLU B 17 8.200 14.498 1.853 1.00 0.00 O ATOM 936 CB GLU B 17 10.579 16.389 2.909 1.00 0.00 C ATOM 937 CG GLU B 17 10.762 17.065 4.270 1.00 0.00 C ATOM 938 CD GLU B 17 9.391 17.333 4.894 1.00 0.00 C ATOM 939 OE1 GLU B 17 8.701 18.215 4.410 1.00 0.00 O ATOM 940 OE2 GLU B 17 9.054 16.651 5.849 1.00 0.00 O ATOM 0 H GLU B 17 12.324 14.787 3.181 1.00 0.00 H new ATOM 0 HA GLU B 17 9.557 14.784 3.987 1.00 0.00 H new ATOM 0 HB2 GLU B 17 11.500 16.457 2.331 1.00 0.00 H new ATOM 0 HB3 GLU B 17 9.805 16.902 2.338 1.00 0.00 H new ATOM 0 HG2 GLU B 17 11.355 16.429 4.927 1.00 0.00 H new ATOM 0 HG3 GLU B 17 11.309 18.000 4.153 1.00 0.00 H new ATOM 947 N LEU B 18 10.088 13.851 0.937 1.00 0.00 N ATOM 948 CA LEU B 18 9.377 13.325 -0.264 1.00 0.00 C ATOM 949 C LEU B 18 8.945 11.874 -0.034 1.00 0.00 C ATOM 950 O LEU B 18 8.002 11.394 -0.630 1.00 0.00 O ATOM 951 CB LEU B 18 10.402 13.407 -1.397 1.00 0.00 C ATOM 952 CG LEU B 18 9.927 14.413 -2.446 1.00 0.00 C ATOM 953 CD1 LEU B 18 9.823 15.803 -1.811 1.00 0.00 C ATOM 954 CD2 LEU B 18 10.928 14.457 -3.602 1.00 0.00 C ATOM 0 H LEU B 18 11.102 13.743 0.923 1.00 0.00 H new ATOM 0 HA LEU B 18 8.473 13.891 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU B 18 11.372 13.709 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU B 18 10.534 12.426 -1.853 1.00 0.00 H new ATOM 0 HG LEU B 18 8.950 14.110 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU B 18 9.484 16.520 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU B 18 9.110 15.774 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU B 18 10.800 16.105 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU B 18 10.589 15.174 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU B 18 11.905 14.759 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU B 18 11.004 13.469 -4.055 1.00 0.00 H new ATOM 966 N TYR B 19 9.631 11.172 0.826 1.00 0.00 N ATOM 967 CA TYR B 19 9.267 9.748 1.098 1.00 0.00 C ATOM 968 C TYR B 19 8.269 9.653 2.256 1.00 0.00 C ATOM 969 O TYR B 19 8.247 8.686 2.988 1.00 0.00 O ATOM 970 CB TYR B 19 10.583 9.080 1.480 1.00 0.00 C ATOM 971 CG TYR B 19 10.835 7.901 0.574 1.00 0.00 C ATOM 972 CD1 TYR B 19 10.999 8.099 -0.815 1.00 0.00 C ATOM 973 CD2 TYR B 19 10.904 6.597 1.115 1.00 0.00 C ATOM 974 CE1 TYR B 19 11.232 6.994 -1.665 1.00 0.00 C ATOM 975 CE2 TYR B 19 11.139 5.492 0.266 1.00 0.00 C ATOM 976 CZ TYR B 19 11.304 5.690 -1.124 1.00 0.00 C ATOM 977 OH TYR B 19 11.532 4.611 -1.954 1.00 0.00 O ATOM 0 H TYR B 19 10.430 11.522 1.354 1.00 0.00 H new ATOM 0 HA TYR B 19 8.792 9.276 0.238 1.00 0.00 H new ATOM 0 HB2 TYR B 19 11.402 9.795 1.399 1.00 0.00 H new ATOM 0 HB3 TYR B 19 10.548 8.752 2.519 1.00 0.00 H new ATOM 0 HD1 TYR B 19 10.946 9.096 -1.228 1.00 0.00 H new ATOM 0 HD2 TYR B 19 10.777 6.445 2.177 1.00 0.00 H new ATOM 0 HE1 TYR B 19 11.355 7.146 -2.727 1.00 0.00 H new ATOM 0 HE2 TYR B 19 11.193 4.496 0.679 1.00 0.00 H new ATOM 0 HH TYR B 19 11.553 3.788 -1.422 1.00 0.00 H new ATOM 987 N VAL B 20 7.448 10.649 2.430 1.00 0.00 N ATOM 988 CA VAL B 20 6.458 10.612 3.541 1.00 0.00 C ATOM 989 C VAL B 20 5.217 9.809 3.112 1.00 0.00 C ATOM 990 O VAL B 20 5.329 8.685 2.664 1.00 0.00 O ATOM 991 CB VAL B 20 6.127 12.084 3.810 1.00 0.00 C ATOM 992 CG1 VAL B 20 7.396 12.827 4.228 1.00 0.00 C ATOM 993 CG2 VAL B 20 5.558 12.723 2.538 1.00 0.00 C ATOM 0 H VAL B 20 7.419 11.488 1.851 1.00 0.00 H new ATOM 0 HA VAL B 20 6.835 10.122 4.439 1.00 0.00 H new ATOM 0 HB VAL B 20 5.389 12.147 4.610 1.00 0.00 H new ATOM 0 HG11 VAL B 20 7.159 13.874 4.419 1.00 0.00 H new ATOM 0 HG12 VAL B 20 7.800 12.376 5.134 1.00 0.00 H new ATOM 0 HG13 VAL B 20 8.135 12.762 3.430 1.00 0.00 H new ATOM 0 HG21 VAL B 20 5.323 13.770 2.731 1.00 0.00 H new ATOM 0 HG22 VAL B 20 6.295 12.658 1.737 1.00 0.00 H new ATOM 0 HG23 VAL B 20 4.651 12.196 2.241 1.00 0.00 H new ATOM 1003 N GLN B 21 4.038 10.363 3.244 1.00 0.00 N ATOM 1004 CA GLN B 21 2.814 9.611 2.840 1.00 0.00 C ATOM 1005 C GLN B 21 2.508 9.853 1.361 1.00 0.00 C ATOM 1006 O GLN B 21 2.258 8.932 0.610 1.00 0.00 O ATOM 1007 CB GLN B 21 1.695 10.175 3.719 1.00 0.00 C ATOM 1008 CG GLN B 21 1.889 9.703 5.161 1.00 0.00 C ATOM 1009 CD GLN B 21 2.985 10.536 5.829 1.00 0.00 C ATOM 1010 OE1 GLN B 21 3.988 10.005 6.264 1.00 0.00 O ATOM 1011 NE2 GLN B 21 2.833 11.829 5.933 1.00 0.00 N ATOM 0 H GLN B 21 3.872 11.299 3.613 1.00 0.00 H new ATOM 0 HA GLN B 21 2.930 8.535 2.967 1.00 0.00 H new ATOM 0 HB2 GLN B 21 1.701 11.264 3.678 1.00 0.00 H new ATOM 0 HB3 GLN B 21 0.725 9.847 3.346 1.00 0.00 H new ATOM 0 HG2 GLN B 21 0.955 9.800 5.715 1.00 0.00 H new ATOM 0 HG3 GLN B 21 2.160 8.647 5.176 1.00 0.00 H new ATOM 0 HE21 GLN B 21 1.991 12.275 5.568 1.00 0.00 H new ATOM 0 HE22 GLN B 21 3.556 12.393 6.379 1.00 0.00 H new ATOM 1020 N LYS B 22 2.526 11.089 0.936 1.00 0.00 N ATOM 1021 CA LYS B 22 2.237 11.388 -0.494 1.00 0.00 C ATOM 1022 C LYS B 22 3.390 10.902 -1.378 1.00 0.00 C ATOM 1023 O LYS B 22 4.048 11.681 -2.041 1.00 0.00 O ATOM 1024 CB LYS B 22 2.108 12.912 -0.564 1.00 0.00 C ATOM 1025 CG LYS B 22 3.376 13.562 -0.001 1.00 0.00 C ATOM 1026 CD LYS B 22 3.513 14.980 -0.560 1.00 0.00 C ATOM 1027 CE LYS B 22 4.703 15.677 0.102 1.00 0.00 C ATOM 1028 NZ LYS B 22 4.179 17.001 0.538 1.00 0.00 N ATOM 0 H LYS B 22 2.728 11.902 1.518 1.00 0.00 H new ATOM 0 HA LYS B 22 1.335 10.889 -0.847 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.953 13.227 -1.596 1.00 0.00 H new ATOM 0 HB3 LYS B 22 1.237 13.240 0.003 1.00 0.00 H new ATOM 0 HG2 LYS B 22 3.330 13.592 1.088 1.00 0.00 H new ATOM 0 HG3 LYS B 22 4.251 12.969 -0.267 1.00 0.00 H new ATOM 0 HD2 LYS B 22 3.654 14.944 -1.640 1.00 0.00 H new ATOM 0 HD3 LYS B 22 2.599 15.545 -0.376 1.00 0.00 H new ATOM 0 HE2 LYS B 22 5.076 15.102 0.949 1.00 0.00 H new ATOM 0 HE3 LYS B 22 5.532 15.791 -0.596 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 4.938 17.539 1.002 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 3.837 17.529 -0.290 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 3.395 16.861 1.207 1.00 0.00 H new ATOM 1042 N HIS B 23 3.639 9.622 -1.390 1.00 0.00 N ATOM 1043 CA HIS B 23 4.748 9.083 -2.227 1.00 0.00 C ATOM 1044 C HIS B 23 4.644 7.557 -2.323 1.00 0.00 C ATOM 1045 O HIS B 23 4.662 6.992 -3.397 1.00 0.00 O ATOM 1046 CB HIS B 23 6.028 9.489 -1.498 1.00 0.00 C ATOM 1047 CG HIS B 23 7.167 9.552 -2.478 1.00 0.00 C ATOM 1048 ND1 HIS B 23 8.054 8.499 -2.650 1.00 0.00 N ATOM 1049 CD2 HIS B 23 7.575 10.531 -3.349 1.00 0.00 C ATOM 1050 CE1 HIS B 23 8.943 8.868 -3.589 1.00 0.00 C ATOM 1051 NE2 HIS B 23 8.697 10.098 -4.049 1.00 0.00 N ATOM 0 H HIS B 23 3.121 8.924 -0.855 1.00 0.00 H new ATOM 0 HA HIS B 23 4.721 9.468 -3.246 1.00 0.00 H new ATOM 0 HB2 HIS B 23 5.894 10.458 -1.018 1.00 0.00 H new ATOM 0 HB3 HIS B 23 6.253 8.771 -0.709 1.00 0.00 H new ATOM 0 HD1 HIS B 23 8.035 7.608 -2.155 1.00 0.00 H new ATOM 0 HD2 HIS B 23 7.098 11.492 -3.472 1.00 0.00 H new ATOM 0 HE1 HIS B 23 9.757 8.246 -3.930 1.00 0.00 H new ATOM 1059 N ASN B 24 4.538 6.888 -1.208 1.00 0.00 N ATOM 1060 CA ASN B 24 4.434 5.400 -1.236 1.00 0.00 C ATOM 1061 C ASN B 24 3.197 4.938 -0.461 1.00 0.00 C ATOM 1062 O ASN B 24 2.532 3.994 -0.840 1.00 0.00 O ATOM 1063 CB ASN B 24 5.710 4.901 -0.559 1.00 0.00 C ATOM 1064 CG ASN B 24 6.925 5.300 -1.400 1.00 0.00 C ATOM 1065 OD1 ASN B 24 7.892 5.822 -0.882 1.00 0.00 O ATOM 1066 ND2 ASN B 24 6.915 5.075 -2.686 1.00 0.00 N ATOM 0 H ASN B 24 4.519 7.307 -0.278 1.00 0.00 H new ATOM 0 HA ASN B 24 4.333 5.013 -2.250 1.00 0.00 H new ATOM 0 HB2 ASN B 24 5.793 5.325 0.442 1.00 0.00 H new ATOM 0 HB3 ASN B 24 5.674 3.818 -0.445 1.00 0.00 H new ATOM 0 HD21 ASN B 24 7.719 5.337 -3.256 1.00 0.00 H new ATOM 0 HD22 ASN B 24 6.103 4.637 -3.121 1.00 0.00 H new ATOM 1073 N ILE B 25 2.885 5.595 0.620 1.00 0.00 N ATOM 1074 CA ILE B 25 1.690 5.196 1.419 1.00 0.00 C ATOM 1075 C ILE B 25 0.428 5.895 0.894 1.00 0.00 C ATOM 1076 O ILE B 25 -0.675 5.570 1.282 1.00 0.00 O ATOM 1077 CB ILE B 25 2.001 5.652 2.845 1.00 0.00 C ATOM 1078 CG1 ILE B 25 3.214 4.882 3.372 1.00 0.00 C ATOM 1079 CG2 ILE B 25 0.795 5.376 3.744 1.00 0.00 C ATOM 1080 CD1 ILE B 25 3.743 5.564 4.635 1.00 0.00 C ATOM 0 H ILE B 25 3.405 6.392 0.987 1.00 0.00 H new ATOM 0 HA ILE B 25 1.499 4.124 1.361 1.00 0.00 H new ATOM 0 HB ILE B 25 2.218 6.720 2.845 1.00 0.00 H new ATOM 0 HG12 ILE B 25 2.936 3.851 3.592 1.00 0.00 H new ATOM 0 HG13 ILE B 25 3.994 4.847 2.611 1.00 0.00 H new ATOM 0 HG21 ILE B 25 1.017 5.701 4.760 1.00 0.00 H new ATOM 0 HG22 ILE B 25 -0.071 5.922 3.369 1.00 0.00 H new ATOM 0 HG23 ILE B 25 0.578 4.308 3.744 1.00 0.00 H new ATOM 0 HD11 ILE B 25 4.607 5.015 5.010 1.00 0.00 H new ATOM 0 HD12 ILE B 25 4.037 6.587 4.400 1.00 0.00 H new ATOM 0 HD13 ILE B 25 2.963 5.576 5.396 1.00 0.00 H new ATOM 1092 N GLN B 26 0.580 6.852 0.017 1.00 0.00 N ATOM 1093 CA GLN B 26 -0.614 7.566 -0.525 1.00 0.00 C ATOM 1094 C GLN B 26 -1.645 6.563 -1.046 1.00 0.00 C ATOM 1095 O GLN B 26 -2.798 6.590 -0.664 1.00 0.00 O ATOM 1096 CB GLN B 26 -0.071 8.422 -1.671 1.00 0.00 C ATOM 1097 CG GLN B 26 -1.217 9.215 -2.303 1.00 0.00 C ATOM 1098 CD GLN B 26 -0.645 10.337 -3.170 1.00 0.00 C ATOM 1099 OE1 GLN B 26 -0.428 10.156 -4.352 1.00 0.00 O ATOM 1100 NE2 GLN B 26 -0.389 11.496 -2.629 1.00 0.00 N ATOM 0 H GLN B 26 1.478 7.170 -0.347 1.00 0.00 H new ATOM 0 HA GLN B 26 -1.116 8.166 0.234 1.00 0.00 H new ATOM 0 HB2 GLN B 26 0.695 9.103 -1.299 1.00 0.00 H new ATOM 0 HB3 GLN B 26 0.403 7.788 -2.420 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -1.839 8.555 -2.908 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -1.857 9.632 -1.525 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -0.571 11.647 -1.637 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -0.006 12.251 -3.198 1.00 0.00 H new ATOM 1109 N ALA B 27 -1.242 5.676 -1.916 1.00 0.00 N ATOM 1110 CA ALA B 27 -2.202 4.674 -2.463 1.00 0.00 C ATOM 1111 C ALA B 27 -2.763 3.805 -1.333 1.00 0.00 C ATOM 1112 O ALA B 27 -3.921 3.435 -1.337 1.00 0.00 O ATOM 1113 CB ALA B 27 -1.378 3.825 -3.431 1.00 0.00 C ATOM 0 H ALA B 27 -0.289 5.602 -2.272 1.00 0.00 H new ATOM 0 HA ALA B 27 -3.054 5.144 -2.954 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -2.015 3.061 -3.877 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -0.970 4.461 -4.216 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -0.561 3.346 -2.891 1.00 0.00 H new ATOM 1119 N LEU B 28 -1.950 3.473 -0.368 1.00 0.00 N ATOM 1120 CA LEU B 28 -2.433 2.625 0.761 1.00 0.00 C ATOM 1121 C LEU B 28 -3.459 3.393 1.602 1.00 0.00 C ATOM 1122 O LEU B 28 -4.485 2.863 1.981 1.00 0.00 O ATOM 1123 CB LEU B 28 -1.184 2.324 1.590 1.00 0.00 C ATOM 1124 CG LEU B 28 -0.166 1.574 0.727 1.00 0.00 C ATOM 1125 CD1 LEU B 28 1.157 1.461 1.484 1.00 0.00 C ATOM 1126 CD2 LEU B 28 -0.696 0.174 0.415 1.00 0.00 C ATOM 0 H LEU B 28 -0.971 3.752 -0.312 1.00 0.00 H new ATOM 0 HA LEU B 28 -2.924 1.716 0.413 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.749 3.252 1.961 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -1.449 1.725 2.462 1.00 0.00 H new ATOM 0 HG LEU B 28 -0.007 2.118 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU B 28 1.883 0.927 0.871 1.00 0.00 H new ATOM 0 HD12 LEU B 28 1.535 2.459 1.707 1.00 0.00 H new ATOM 0 HD13 LEU B 28 0.998 0.916 2.415 1.00 0.00 H new ATOM 0 HD21 LEU B 28 0.028 -0.361 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -0.855 -0.371 1.346 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -1.640 0.254 -0.124 1.00 0.00 H new ATOM 1138 N LEU B 29 -3.186 4.633 1.901 1.00 0.00 N ATOM 1139 CA LEU B 29 -4.140 5.432 2.724 1.00 0.00 C ATOM 1140 C LEU B 29 -5.358 5.840 1.890 1.00 0.00 C ATOM 1141 O LEU B 29 -6.417 6.119 2.418 1.00 0.00 O ATOM 1142 CB LEU B 29 -3.351 6.668 3.162 1.00 0.00 C ATOM 1143 CG LEU B 29 -3.065 6.590 4.663 1.00 0.00 C ATOM 1144 CD1 LEU B 29 -2.297 5.303 4.973 1.00 0.00 C ATOM 1145 CD2 LEU B 29 -2.224 7.795 5.087 1.00 0.00 C ATOM 0 H LEU B 29 -2.343 5.129 1.611 1.00 0.00 H new ATOM 0 HA LEU B 29 -4.518 4.866 3.575 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -2.415 6.730 2.606 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -3.917 7.572 2.936 1.00 0.00 H new ATOM 0 HG LEU B 29 -4.008 6.592 5.210 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -2.094 5.249 6.043 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -2.894 4.442 4.673 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.355 5.300 4.424 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -2.021 7.739 6.156 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -1.282 7.793 4.538 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -2.769 8.714 4.869 1.00 0.00 H new ATOM 1157 N LYS B 30 -5.219 5.879 0.595 1.00 0.00 N ATOM 1158 CA LYS B 30 -6.371 6.271 -0.266 1.00 0.00 C ATOM 1159 C LYS B 30 -7.581 5.378 0.029 1.00 0.00 C ATOM 1160 O LYS B 30 -8.567 5.816 0.588 1.00 0.00 O ATOM 1161 CB LYS B 30 -5.883 6.055 -1.699 1.00 0.00 C ATOM 1162 CG LYS B 30 -5.389 7.383 -2.274 1.00 0.00 C ATOM 1163 CD LYS B 30 -6.410 7.916 -3.281 1.00 0.00 C ATOM 1164 CE LYS B 30 -6.007 9.325 -3.717 1.00 0.00 C ATOM 1165 NZ LYS B 30 -6.654 9.516 -5.047 1.00 0.00 N ATOM 0 H LYS B 30 -4.358 5.657 0.095 1.00 0.00 H new ATOM 0 HA LYS B 30 -6.686 7.300 -0.092 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -5.080 5.319 -1.714 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -6.691 5.658 -2.314 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -5.242 8.106 -1.472 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -4.423 7.244 -2.759 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -6.461 7.256 -4.147 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -7.404 7.932 -2.834 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -6.348 10.073 -3.001 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -4.924 9.422 -3.787 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -6.424 10.462 -5.412 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -6.305 8.794 -5.710 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -7.685 9.425 -4.948 1.00 0.00 H new ATOM 1179 N ASP B 31 -7.511 4.131 -0.345 1.00 0.00 N ATOM 1180 CA ASP B 31 -8.658 3.211 -0.091 1.00 0.00 C ATOM 1181 C ASP B 31 -8.902 3.063 1.414 1.00 0.00 C ATOM 1182 O ASP B 31 -10.022 2.896 1.856 1.00 0.00 O ATOM 1183 CB ASP B 31 -8.232 1.875 -0.700 1.00 0.00 C ATOM 1184 CG ASP B 31 -8.277 1.971 -2.226 1.00 0.00 C ATOM 1185 OD1 ASP B 31 -9.330 1.717 -2.785 1.00 0.00 O ATOM 1186 OD2 ASP B 31 -7.256 2.300 -2.808 1.00 0.00 O ATOM 0 H ASP B 31 -6.711 3.708 -0.815 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.587 3.581 -0.524 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -7.225 1.618 -0.371 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.893 1.079 -0.356 1.00 0.00 H new ATOM 1191 N SER B 32 -7.865 3.115 2.206 1.00 0.00 N ATOM 1192 CA SER B 32 -8.045 2.969 3.681 1.00 0.00 C ATOM 1193 C SER B 32 -9.087 3.967 4.195 1.00 0.00 C ATOM 1194 O SER B 32 -10.038 3.597 4.856 1.00 0.00 O ATOM 1195 CB SER B 32 -6.671 3.268 4.279 1.00 0.00 C ATOM 1196 OG SER B 32 -6.496 4.675 4.376 1.00 0.00 O ATOM 0 H SER B 32 -6.903 3.252 1.897 1.00 0.00 H new ATOM 0 HA SER B 32 -8.402 1.976 3.955 1.00 0.00 H new ATOM 0 HB2 SER B 32 -6.583 2.810 5.264 1.00 0.00 H new ATOM 0 HB3 SER B 32 -5.889 2.835 3.656 1.00 0.00 H new ATOM 0 HG SER B 32 -6.727 5.093 3.520 1.00 0.00 H new ATOM 1202 N ILE B 33 -8.917 5.227 3.903 1.00 0.00 N ATOM 1203 CA ILE B 33 -9.899 6.242 4.382 1.00 0.00 C ATOM 1204 C ILE B 33 -11.296 5.929 3.838 1.00 0.00 C ATOM 1205 O ILE B 33 -12.291 6.090 4.521 1.00 0.00 O ATOM 1206 CB ILE B 33 -9.392 7.575 3.829 1.00 0.00 C ATOM 1207 CG1 ILE B 33 -8.034 7.902 4.455 1.00 0.00 C ATOM 1208 CG2 ILE B 33 -10.389 8.686 4.168 1.00 0.00 C ATOM 1209 CD1 ILE B 33 -7.282 8.890 3.561 1.00 0.00 C ATOM 0 H ILE B 33 -8.142 5.598 3.354 1.00 0.00 H new ATOM 0 HA ILE B 33 -9.980 6.256 5.469 1.00 0.00 H new ATOM 0 HB ILE B 33 -9.288 7.501 2.747 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -8.173 8.328 5.449 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -7.450 6.990 4.578 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -10.025 9.634 3.773 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -11.357 8.455 3.723 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -10.496 8.761 5.250 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -6.315 9.122 4.008 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -7.130 8.447 2.577 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -7.864 9.806 3.461 1.00 0.00 H new ATOM 1221 N VAL B 34 -11.380 5.484 2.614 1.00 0.00 N ATOM 1222 CA VAL B 34 -12.710 5.164 2.022 1.00 0.00 C ATOM 1223 C VAL B 34 -13.422 4.082 2.841 1.00 0.00 C ATOM 1224 O VAL B 34 -14.630 3.967 2.813 1.00 0.00 O ATOM 1225 CB VAL B 34 -12.406 4.656 0.614 1.00 0.00 C ATOM 1226 CG1 VAL B 34 -13.714 4.289 -0.091 1.00 0.00 C ATOM 1227 CG2 VAL B 34 -11.691 5.751 -0.178 1.00 0.00 C ATOM 0 H VAL B 34 -10.583 5.328 1.997 1.00 0.00 H new ATOM 0 HA VAL B 34 -13.370 6.032 2.012 1.00 0.00 H new ATOM 0 HB VAL B 34 -11.768 3.775 0.676 1.00 0.00 H new ATOM 0 HG11 VAL B 34 -13.497 3.927 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -14.225 3.509 0.473 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -14.353 5.170 -0.153 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -11.473 5.390 -1.183 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -12.330 6.632 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -10.759 6.013 0.323 1.00 0.00 H new ATOM 1237 N GLN B 35 -12.684 3.284 3.564 1.00 0.00 N ATOM 1238 CA GLN B 35 -13.329 2.213 4.376 1.00 0.00 C ATOM 1239 C GLN B 35 -13.177 2.511 5.870 1.00 0.00 C ATOM 1240 O GLN B 35 -14.049 2.210 6.664 1.00 0.00 O ATOM 1241 CB GLN B 35 -12.586 0.928 4.010 1.00 0.00 C ATOM 1242 CG GLN B 35 -13.492 -0.277 4.266 1.00 0.00 C ATOM 1243 CD GLN B 35 -14.162 -0.700 2.956 1.00 0.00 C ATOM 1244 OE1 GLN B 35 -13.887 -0.142 1.913 1.00 0.00 O ATOM 1245 NE2 GLN B 35 -15.034 -1.671 2.968 1.00 0.00 N ATOM 0 H GLN B 35 -11.667 3.327 3.628 1.00 0.00 H new ATOM 0 HA GLN B 35 -14.398 2.137 4.175 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -12.286 0.955 2.962 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -11.674 0.842 4.600 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -12.909 -1.104 4.672 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -14.249 -0.025 5.009 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -15.264 -2.139 3.845 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -15.485 -1.962 2.101 1.00 0.00 H new ATOM 1254 N LEU B 36 -12.079 3.096 6.264 1.00 0.00 N ATOM 1255 CA LEU B 36 -11.874 3.406 7.710 1.00 0.00 C ATOM 1256 C LEU B 36 -13.092 4.145 8.274 1.00 0.00 C ATOM 1257 O LEU B 36 -13.454 3.976 9.422 1.00 0.00 O ATOM 1258 CB LEU B 36 -10.635 4.300 7.754 1.00 0.00 C ATOM 1259 CG LEU B 36 -9.445 3.504 8.295 1.00 0.00 C ATOM 1260 CD1 LEU B 36 -9.775 2.970 9.691 1.00 0.00 C ATOM 1261 CD2 LEU B 36 -9.148 2.332 7.356 1.00 0.00 C ATOM 0 H LEU B 36 -11.314 3.373 5.648 1.00 0.00 H new ATOM 0 HA LEU B 36 -11.746 2.505 8.309 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -10.410 4.676 6.756 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -10.823 5.168 8.387 1.00 0.00 H new ATOM 0 HG LEU B 36 -8.572 4.154 8.355 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -8.926 2.404 10.074 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -9.986 3.805 10.360 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -10.649 2.321 9.635 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -8.301 1.764 7.740 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -10.022 1.684 7.296 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -8.910 2.713 6.363 1.00 0.00 H new ATOM 1273 N CYS B 37 -13.726 4.962 7.479 1.00 0.00 N ATOM 1274 CA CYS B 37 -14.919 5.705 7.975 1.00 0.00 C ATOM 1275 C CYS B 37 -15.960 4.721 8.518 1.00 0.00 C ATOM 1276 O CYS B 37 -16.411 4.839 9.641 1.00 0.00 O ATOM 1277 CB CYS B 37 -15.464 6.444 6.753 1.00 0.00 C ATOM 1278 SG CYS B 37 -14.575 8.006 6.550 1.00 0.00 S ATOM 0 H CYS B 37 -13.470 5.147 6.509 1.00 0.00 H new ATOM 0 HA CYS B 37 -14.673 6.390 8.786 1.00 0.00 H new ATOM 0 HB2 CYS B 37 -15.349 5.829 5.861 1.00 0.00 H new ATOM 0 HB3 CYS B 37 -16.531 6.633 6.874 1.00 0.00 H new ATOM 1283 N THR B 38 -16.342 3.753 7.732 1.00 0.00 N ATOM 1284 CA THR B 38 -17.349 2.760 8.205 1.00 0.00 C ATOM 1285 C THR B 38 -16.657 1.568 8.885 1.00 0.00 C ATOM 1286 O THR B 38 -17.300 0.619 9.288 1.00 0.00 O ATOM 1287 CB THR B 38 -18.070 2.300 6.936 1.00 0.00 C ATOM 1288 OG1 THR B 38 -18.493 3.439 6.196 1.00 0.00 O ATOM 1289 CG2 THR B 38 -19.286 1.452 7.313 1.00 0.00 C ATOM 0 H THR B 38 -16.001 3.606 6.782 1.00 0.00 H new ATOM 0 HA THR B 38 -18.032 3.188 8.939 1.00 0.00 H new ATOM 0 HB THR B 38 -17.391 1.702 6.328 1.00 0.00 H new ATOM 0 HG1 THR B 38 -18.954 3.147 5.382 1.00 0.00 H new ATOM 0 HG21 THR B 38 -19.797 1.126 6.407 1.00 0.00 H new ATOM 0 HG22 THR B 38 -18.960 0.580 7.879 1.00 0.00 H new ATOM 0 HG23 THR B 38 -19.969 2.045 7.921 1.00 0.00 H new ATOM 1297 N ALA B 39 -15.357 1.604 9.011 1.00 0.00 N ATOM 1298 CA ALA B 39 -14.641 0.468 9.657 1.00 0.00 C ATOM 1299 C ALA B 39 -14.646 0.623 11.179 1.00 0.00 C ATOM 1300 O ALA B 39 -14.702 1.716 11.705 1.00 0.00 O ATOM 1301 CB ALA B 39 -13.211 0.542 9.120 1.00 0.00 C ATOM 0 H ALA B 39 -14.762 2.370 8.695 1.00 0.00 H new ATOM 0 HA ALA B 39 -15.114 -0.489 9.437 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -12.618 -0.265 9.551 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -13.224 0.443 8.035 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -12.770 1.501 9.391 1.00 0.00 H new ATOM 1307 N ARG B 40 -14.579 -0.470 11.888 1.00 0.00 N ATOM 1308 CA ARG B 40 -14.567 -0.400 13.377 1.00 0.00 C ATOM 1309 C ARG B 40 -13.444 -1.291 13.924 1.00 0.00 C ATOM 1310 O ARG B 40 -13.688 -2.173 14.724 1.00 0.00 O ATOM 1311 CB ARG B 40 -15.936 -0.931 13.809 1.00 0.00 C ATOM 1312 CG ARG B 40 -16.901 0.239 14.003 1.00 0.00 C ATOM 1313 CD ARG B 40 -18.317 -0.196 13.621 1.00 0.00 C ATOM 1314 NE ARG B 40 -18.660 -1.274 14.590 1.00 0.00 N ATOM 1315 CZ ARG B 40 -19.435 -2.258 14.223 1.00 0.00 C ATOM 1316 NH1 ARG B 40 -20.730 -2.133 14.305 1.00 0.00 N ATOM 1317 NH2 ARG B 40 -18.913 -3.367 13.779 1.00 0.00 N ATOM 0 H ARG B 40 -14.532 -1.412 11.499 1.00 0.00 H new ATOM 0 HA ARG B 40 -14.390 0.609 13.750 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -16.326 -1.616 13.056 1.00 0.00 H new ATOM 0 HB3 ARG B 40 -15.842 -1.496 14.736 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -16.880 0.573 15.040 1.00 0.00 H new ATOM 0 HG3 ARG B 40 -16.591 1.085 13.389 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -19.018 0.636 13.690 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -18.355 -0.560 12.594 1.00 0.00 H new ATOM 0 HE ARG B 40 -18.289 -1.243 15.540 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -21.137 -1.266 14.656 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -21.336 -2.902 14.018 1.00 0.00 H new ATOM 0 HH21 ARG B 40 -17.900 -3.465 13.719 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -19.518 -4.136 13.492 1.00 0.00 H new ATOM 1331 N PRO B 41 -12.243 -1.038 13.458 1.00 0.00 N ATOM 1332 CA PRO B 41 -11.071 -1.836 13.896 1.00 0.00 C ATOM 1333 C PRO B 41 -10.685 -1.500 15.338 1.00 0.00 C ATOM 1334 O PRO B 41 -10.257 -0.402 15.637 1.00 0.00 O ATOM 1335 CB PRO B 41 -9.965 -1.413 12.930 1.00 0.00 C ATOM 1336 CG PRO B 41 -10.363 -0.049 12.461 1.00 0.00 C ATOM 1337 CD PRO B 41 -11.867 0.007 12.492 1.00 0.00 C ATOM 0 HA PRO B 41 -11.264 -2.909 13.880 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -8.994 -1.393 13.426 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -9.882 -2.109 12.095 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -9.935 0.720 13.105 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -9.991 0.136 11.453 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -12.223 0.988 12.806 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -12.294 -0.187 11.508 1.00 0.00 H new ATOM 1345 N GLU B 42 -10.819 -2.441 16.234 1.00 0.00 N ATOM 1346 CA GLU B 42 -10.442 -2.175 17.653 1.00 0.00 C ATOM 1347 C GLU B 42 -8.944 -1.879 17.732 1.00 0.00 C ATOM 1348 O GLU B 42 -8.520 -0.923 18.351 1.00 0.00 O ATOM 1349 CB GLU B 42 -10.777 -3.465 18.406 1.00 0.00 C ATOM 1350 CG GLU B 42 -12.237 -3.845 18.151 1.00 0.00 C ATOM 1351 CD GLU B 42 -12.810 -4.536 19.391 1.00 0.00 C ATOM 1352 OE1 GLU B 42 -12.160 -5.436 19.896 1.00 0.00 O ATOM 1353 OE2 GLU B 42 -13.888 -4.151 19.814 1.00 0.00 O ATOM 0 H GLU B 42 -11.172 -3.379 16.046 1.00 0.00 H new ATOM 0 HA GLU B 42 -10.968 -1.319 18.075 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -10.119 -4.270 18.079 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -10.608 -3.329 19.474 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -12.820 -2.954 17.916 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -12.306 -4.508 17.288 1.00 0.00 H new ATOM 1360 N ARG B 43 -8.144 -2.689 17.094 1.00 0.00 N ATOM 1361 CA ARG B 43 -6.672 -2.457 17.110 1.00 0.00 C ATOM 1362 C ARG B 43 -6.168 -2.264 15.675 1.00 0.00 C ATOM 1363 O ARG B 43 -6.006 -3.224 14.947 1.00 0.00 O ATOM 1364 CB ARG B 43 -6.073 -3.722 17.726 1.00 0.00 C ATOM 1365 CG ARG B 43 -4.724 -3.386 18.369 1.00 0.00 C ATOM 1366 CD ARG B 43 -3.999 -4.679 18.748 1.00 0.00 C ATOM 1367 NE ARG B 43 -3.806 -4.592 20.220 1.00 0.00 N ATOM 1368 CZ ARG B 43 -2.606 -4.476 20.717 1.00 0.00 C ATOM 1369 NH1 ARG B 43 -1.954 -3.352 20.592 1.00 0.00 N ATOM 1370 NH2 ARG B 43 -2.056 -5.484 21.340 1.00 0.00 N ATOM 0 H ARG B 43 -8.448 -3.504 16.561 1.00 0.00 H new ATOM 0 HA ARG B 43 -6.394 -1.567 17.675 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -6.752 -4.132 18.473 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -5.943 -4.486 16.960 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -4.115 -2.805 17.677 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -4.876 -2.769 19.255 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -4.588 -5.556 18.478 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -3.044 -4.764 18.229 1.00 0.00 H new ATOM 0 HE ARG B 43 -4.614 -4.623 20.842 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -2.383 -2.565 20.106 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -1.015 -3.261 20.981 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -2.565 -6.362 21.438 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -1.117 -5.393 21.729 1.00 0.00 H new ATOM 1384 N PRO B 44 -5.943 -1.027 15.306 1.00 0.00 N ATOM 1385 CA PRO B 44 -5.464 -0.723 13.935 1.00 0.00 C ATOM 1386 C PRO B 44 -4.016 -1.190 13.752 1.00 0.00 C ATOM 1387 O PRO B 44 -3.528 -1.303 12.645 1.00 0.00 O ATOM 1388 CB PRO B 44 -5.570 0.796 13.845 1.00 0.00 C ATOM 1389 CG PRO B 44 -5.496 1.272 15.261 1.00 0.00 C ATOM 1390 CD PRO B 44 -6.106 0.191 16.114 1.00 0.00 C ATOM 0 HA PRO B 44 -6.039 -1.229 13.159 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -4.761 1.214 13.245 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -6.505 1.100 13.375 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -4.463 1.458 15.553 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -6.036 2.211 15.382 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -5.598 0.105 17.075 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -7.156 0.393 16.326 1.00 0.00 H new ATOM 1398 N MET B 45 -3.326 -1.466 14.825 1.00 0.00 N ATOM 1399 CA MET B 45 -1.915 -1.928 14.703 1.00 0.00 C ATOM 1400 C MET B 45 -1.846 -3.193 13.843 1.00 0.00 C ATOM 1401 O MET B 45 -1.083 -3.274 12.901 1.00 0.00 O ATOM 1402 CB MET B 45 -1.473 -2.230 16.136 1.00 0.00 C ATOM 1403 CG MET B 45 -0.083 -1.638 16.378 1.00 0.00 C ATOM 1404 SD MET B 45 -0.248 0.061 16.979 1.00 0.00 S ATOM 1405 CE MET B 45 1.494 0.323 17.393 1.00 0.00 C ATOM 0 H MET B 45 -3.678 -1.392 15.779 1.00 0.00 H new ATOM 0 HA MET B 45 -1.276 -1.184 14.227 1.00 0.00 H new ATOM 0 HB2 MET B 45 -2.187 -1.810 16.844 1.00 0.00 H new ATOM 0 HB3 MET B 45 -1.455 -3.307 16.303 1.00 0.00 H new ATOM 0 HG2 MET B 45 0.459 -2.242 17.106 1.00 0.00 H new ATOM 0 HG3 MET B 45 0.497 -1.654 15.455 1.00 0.00 H new ATOM 0 HE1 MET B 45 1.626 1.329 17.791 1.00 0.00 H new ATOM 0 HE2 MET B 45 1.804 -0.407 18.141 1.00 0.00 H new ATOM 0 HE3 MET B 45 2.103 0.204 16.497 1.00 0.00 H new ATOM 1415 N ALA B 46 -2.639 -4.181 14.161 1.00 0.00 N ATOM 1416 CA ALA B 46 -2.620 -5.439 13.361 1.00 0.00 C ATOM 1417 C ALA B 46 -3.592 -5.338 12.183 1.00 0.00 C ATOM 1418 O ALA B 46 -3.493 -6.070 11.218 1.00 0.00 O ATOM 1419 CB ALA B 46 -3.070 -6.530 14.335 1.00 0.00 C ATOM 0 H ALA B 46 -3.298 -4.171 14.939 1.00 0.00 H new ATOM 0 HA ALA B 46 -1.636 -5.645 12.940 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -3.083 -7.492 13.823 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.377 -6.576 15.175 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -4.070 -6.300 14.702 1.00 0.00 H new ATOM 1425 N PHE B 47 -4.533 -4.435 12.253 1.00 0.00 N ATOM 1426 CA PHE B 47 -5.513 -4.289 11.139 1.00 0.00 C ATOM 1427 C PHE B 47 -4.781 -4.013 9.821 1.00 0.00 C ATOM 1428 O PHE B 47 -5.185 -4.475 8.773 1.00 0.00 O ATOM 1429 CB PHE B 47 -6.380 -3.092 11.532 1.00 0.00 C ATOM 1430 CG PHE B 47 -7.465 -2.895 10.500 1.00 0.00 C ATOM 1431 CD1 PHE B 47 -8.485 -3.862 10.355 1.00 0.00 C ATOM 1432 CD2 PHE B 47 -7.463 -1.742 9.685 1.00 0.00 C ATOM 1433 CE1 PHE B 47 -9.502 -3.677 9.393 1.00 0.00 C ATOM 1434 CE2 PHE B 47 -8.480 -1.558 8.720 1.00 0.00 C ATOM 1435 CZ PHE B 47 -9.499 -2.525 8.574 1.00 0.00 C ATOM 0 H PHE B 47 -4.665 -3.792 13.034 1.00 0.00 H new ATOM 0 HA PHE B 47 -6.106 -5.191 10.988 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -6.823 -3.257 12.514 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -5.767 -2.194 11.606 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -8.487 -4.743 10.980 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -6.685 -1.001 9.799 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -10.282 -4.416 9.283 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -8.478 -0.678 8.094 1.00 0.00 H new ATOM 0 HZ PHE B 47 -10.276 -2.384 7.837 1.00 0.00 H new ATOM 1445 N LEU B 48 -3.714 -3.265 9.864 1.00 0.00 N ATOM 1446 CA LEU B 48 -2.963 -2.962 8.610 1.00 0.00 C ATOM 1447 C LEU B 48 -2.607 -4.258 7.880 1.00 0.00 C ATOM 1448 O LEU B 48 -2.761 -4.370 6.678 1.00 0.00 O ATOM 1449 CB LEU B 48 -1.694 -2.242 9.072 1.00 0.00 C ATOM 1450 CG LEU B 48 -1.051 -1.528 7.882 1.00 0.00 C ATOM 1451 CD1 LEU B 48 -1.492 -0.063 7.864 1.00 0.00 C ATOM 1452 CD2 LEU B 48 0.472 -1.599 8.004 1.00 0.00 C ATOM 0 H LEU B 48 -3.328 -2.850 10.712 1.00 0.00 H new ATOM 0 HA LEU B 48 -3.546 -2.357 7.916 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -1.936 -1.522 9.854 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -0.993 -2.957 9.502 1.00 0.00 H new ATOM 0 HG LEU B 48 -1.365 -2.013 6.958 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -1.033 0.445 7.016 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -2.577 -0.011 7.775 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -1.180 0.422 8.789 1.00 0.00 H new ATOM 0 HD21 LEU B 48 0.929 -1.090 7.155 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.786 -1.116 8.929 1.00 0.00 H new ATOM 0 HD23 LEU B 48 0.788 -2.642 8.014 1.00 0.00 H new ATOM 1464 N ARG B 49 -2.130 -5.241 8.594 1.00 0.00 N ATOM 1465 CA ARG B 49 -1.763 -6.529 7.941 1.00 0.00 C ATOM 1466 C ARG B 49 -2.998 -7.161 7.294 1.00 0.00 C ATOM 1467 O ARG B 49 -3.026 -7.416 6.107 1.00 0.00 O ATOM 1468 CB ARG B 49 -1.238 -7.412 9.073 1.00 0.00 C ATOM 1469 CG ARG B 49 -0.889 -8.795 8.520 1.00 0.00 C ATOM 1470 CD ARG B 49 -1.837 -9.838 9.116 1.00 0.00 C ATOM 1471 NE ARG B 49 -0.953 -10.944 9.579 1.00 0.00 N ATOM 1472 CZ ARG B 49 -1.130 -12.155 9.128 1.00 0.00 C ATOM 1473 NH1 ARG B 49 -1.363 -12.352 7.860 1.00 0.00 N ATOM 1474 NH2 ARG B 49 -1.073 -13.170 9.946 1.00 0.00 N ATOM 0 H ARG B 49 -1.979 -5.207 9.602 1.00 0.00 H new ATOM 0 HA ARG B 49 -1.023 -6.397 7.152 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -0.357 -6.956 9.525 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -1.989 -7.501 9.858 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -0.969 -8.794 7.433 1.00 0.00 H new ATOM 0 HG3 ARG B 49 0.144 -9.046 8.763 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -2.413 -9.421 9.942 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -2.553 -10.190 8.374 1.00 0.00 H new ATOM 0 HE ARG B 49 -0.208 -10.754 10.250 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -1.407 -11.559 7.220 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -1.501 -13.299 7.508 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -0.890 -13.016 10.938 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -1.211 -14.117 9.594 1.00 0.00 H new ATOM 1488 N GLU B 50 -4.019 -7.417 8.066 1.00 0.00 N ATOM 1489 CA GLU B 50 -5.250 -8.033 7.494 1.00 0.00 C ATOM 1490 C GLU B 50 -5.987 -7.032 6.595 1.00 0.00 C ATOM 1491 O GLU B 50 -6.879 -7.395 5.853 1.00 0.00 O ATOM 1492 CB GLU B 50 -6.108 -8.394 8.708 1.00 0.00 C ATOM 1493 CG GLU B 50 -6.908 -9.663 8.410 1.00 0.00 C ATOM 1494 CD GLU B 50 -7.363 -10.299 9.724 1.00 0.00 C ATOM 1495 OE1 GLU B 50 -6.505 -10.607 10.538 1.00 0.00 O ATOM 1496 OE2 GLU B 50 -8.558 -10.466 9.897 1.00 0.00 O ATOM 0 H GLU B 50 -4.054 -7.226 9.067 1.00 0.00 H new ATOM 0 HA GLU B 50 -5.024 -8.901 6.875 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -5.474 -8.548 9.581 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -6.784 -7.573 8.946 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -7.773 -9.424 7.791 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -6.297 -10.367 7.845 1.00 0.00 H new ATOM 1503 N TYR B 51 -5.626 -5.779 6.654 1.00 0.00 N ATOM 1504 CA TYR B 51 -6.313 -4.765 5.804 1.00 0.00 C ATOM 1505 C TYR B 51 -5.966 -4.987 4.323 1.00 0.00 C ATOM 1506 O TYR B 51 -6.764 -5.494 3.561 1.00 0.00 O ATOM 1507 CB TYR B 51 -5.787 -3.410 6.300 1.00 0.00 C ATOM 1508 CG TYR B 51 -6.159 -2.316 5.321 1.00 0.00 C ATOM 1509 CD1 TYR B 51 -7.500 -2.159 4.912 1.00 0.00 C ATOM 1510 CD2 TYR B 51 -5.159 -1.461 4.808 1.00 0.00 C ATOM 1511 CE1 TYR B 51 -7.844 -1.145 3.990 1.00 0.00 C ATOM 1512 CE2 TYR B 51 -5.500 -0.448 3.886 1.00 0.00 C ATOM 1513 CZ TYR B 51 -6.844 -0.289 3.476 1.00 0.00 C ATOM 1514 OH TYR B 51 -7.181 0.698 2.570 1.00 0.00 O ATOM 0 H TYR B 51 -4.886 -5.414 7.253 1.00 0.00 H new ATOM 0 HA TYR B 51 -7.399 -4.826 5.878 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -6.204 -3.187 7.282 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -4.704 -3.452 6.416 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -8.264 -2.814 5.304 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -4.133 -1.582 5.121 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -8.871 -1.024 3.678 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -4.735 0.205 3.494 1.00 0.00 H new ATOM 0 HH TYR B 51 -8.076 0.522 2.212 1.00 0.00 H new ATOM 1524 N PHE B 52 -4.790 -4.597 3.911 1.00 0.00 N ATOM 1525 CA PHE B 52 -4.412 -4.777 2.479 1.00 0.00 C ATOM 1526 C PHE B 52 -4.311 -6.265 2.126 1.00 0.00 C ATOM 1527 O PHE B 52 -4.309 -6.636 0.970 1.00 0.00 O ATOM 1528 CB PHE B 52 -3.052 -4.093 2.329 1.00 0.00 C ATOM 1529 CG PHE B 52 -3.084 -3.175 1.130 1.00 0.00 C ATOM 1530 CD1 PHE B 52 -3.512 -1.836 1.275 1.00 0.00 C ATOM 1531 CD2 PHE B 52 -2.690 -3.658 -0.138 1.00 0.00 C ATOM 1532 CE1 PHE B 52 -3.543 -0.978 0.153 1.00 0.00 C ATOM 1533 CE2 PHE B 52 -2.721 -2.799 -1.261 1.00 0.00 C ATOM 1534 CZ PHE B 52 -3.147 -1.461 -1.116 1.00 0.00 C ATOM 0 H PHE B 52 -4.078 -4.164 4.500 1.00 0.00 H new ATOM 0 HA PHE B 52 -5.157 -4.349 1.808 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.816 -3.526 3.229 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -2.268 -4.840 2.208 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -3.816 -1.468 2.244 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -2.366 -4.682 -0.249 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -3.869 0.046 0.264 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -2.419 -3.167 -2.230 1.00 0.00 H new ATOM 0 HZ PHE B 52 -3.171 -0.806 -1.974 1.00 0.00 H new ATOM 1544 N GLU B 53 -4.235 -7.121 3.109 1.00 0.00 N ATOM 1545 CA GLU B 53 -4.142 -8.580 2.814 1.00 0.00 C ATOM 1546 C GLU B 53 -5.456 -9.071 2.199 1.00 0.00 C ATOM 1547 O GLU B 53 -5.464 -9.845 1.262 1.00 0.00 O ATOM 1548 CB GLU B 53 -3.896 -9.247 4.167 1.00 0.00 C ATOM 1549 CG GLU B 53 -3.917 -10.770 4.005 1.00 0.00 C ATOM 1550 CD GLU B 53 -3.973 -11.430 5.383 1.00 0.00 C ATOM 1551 OE1 GLU B 53 -4.940 -11.198 6.090 1.00 0.00 O ATOM 1552 OE2 GLU B 53 -3.049 -12.157 5.707 1.00 0.00 O ATOM 0 H GLU B 53 -4.233 -6.875 4.099 1.00 0.00 H new ATOM 0 HA GLU B 53 -3.349 -8.811 2.102 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -2.935 -8.928 4.571 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -4.660 -8.937 4.880 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -4.780 -11.071 3.411 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -3.029 -11.101 3.467 1.00 0.00 H new ATOM 1559 N LYS B 54 -6.567 -8.624 2.717 1.00 0.00 N ATOM 1560 CA LYS B 54 -7.880 -9.061 2.162 1.00 0.00 C ATOM 1561 C LYS B 54 -8.325 -8.105 1.052 1.00 0.00 C ATOM 1562 O LYS B 54 -9.074 -8.469 0.168 1.00 0.00 O ATOM 1563 CB LYS B 54 -8.848 -9.000 3.343 1.00 0.00 C ATOM 1564 CG LYS B 54 -8.498 -10.100 4.350 1.00 0.00 C ATOM 1565 CD LYS B 54 -9.415 -9.986 5.569 1.00 0.00 C ATOM 1566 CE LYS B 54 -9.382 -11.296 6.357 1.00 0.00 C ATOM 1567 NZ LYS B 54 -10.651 -11.307 7.139 1.00 0.00 N ATOM 0 H LYS B 54 -6.623 -7.974 3.501 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.835 -10.058 1.724 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -8.792 -8.023 3.822 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -9.873 -9.125 2.993 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -8.611 -11.081 3.887 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -7.456 -10.010 4.656 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -9.093 -9.160 6.203 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -10.434 -9.766 5.251 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -9.322 -12.156 5.690 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -8.513 -11.340 7.014 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -10.701 -12.177 7.707 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -10.677 -10.480 7.769 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -11.461 -11.271 6.487 1.00 0.00 H new ATOM 1581 N LEU B 55 -7.868 -6.884 1.093 1.00 0.00 N ATOM 1582 CA LEU B 55 -8.262 -5.902 0.044 1.00 0.00 C ATOM 1583 C LEU B 55 -7.680 -6.313 -1.313 1.00 0.00 C ATOM 1584 O LEU B 55 -8.209 -5.979 -2.354 1.00 0.00 O ATOM 1585 CB LEU B 55 -7.658 -4.572 0.501 1.00 0.00 C ATOM 1586 CG LEU B 55 -8.763 -3.658 1.037 1.00 0.00 C ATOM 1587 CD1 LEU B 55 -9.740 -3.321 -0.093 1.00 0.00 C ATOM 1588 CD2 LEU B 55 -9.511 -4.364 2.173 1.00 0.00 C ATOM 0 H LEU B 55 -7.238 -6.523 1.809 1.00 0.00 H new ATOM 0 HA LEU B 55 -9.343 -5.841 -0.078 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -6.911 -4.748 1.275 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -7.146 -4.089 -0.331 1.00 0.00 H new ATOM 0 HG LEU B 55 -8.319 -2.738 1.418 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -10.527 -2.670 0.288 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -9.206 -2.813 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -10.183 -4.240 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -10.297 -3.711 2.552 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -9.955 -5.286 1.798 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -8.814 -4.598 2.978 1.00 0.00 H new ATOM 1600 N GLU B 56 -6.594 -7.037 -1.308 1.00 0.00 N ATOM 1601 CA GLU B 56 -5.980 -7.468 -2.597 1.00 0.00 C ATOM 1602 C GLU B 56 -6.950 -8.352 -3.384 1.00 0.00 C ATOM 1603 O GLU B 56 -6.803 -8.541 -4.574 1.00 0.00 O ATOM 1604 CB GLU B 56 -4.735 -8.261 -2.197 1.00 0.00 C ATOM 1605 CG GLU B 56 -3.589 -7.931 -3.153 1.00 0.00 C ATOM 1606 CD GLU B 56 -3.709 -8.790 -4.413 1.00 0.00 C ATOM 1607 OE1 GLU B 56 -4.358 -9.821 -4.344 1.00 0.00 O ATOM 1608 OE2 GLU B 56 -3.149 -8.404 -5.426 1.00 0.00 O ATOM 0 H GLU B 56 -6.106 -7.349 -0.468 1.00 0.00 H new ATOM 0 HA GLU B 56 -5.737 -6.621 -3.239 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -4.450 -8.018 -1.173 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -4.948 -9.330 -2.223 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -3.615 -6.874 -3.417 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -2.631 -8.114 -2.666 1.00 0.00 H new ATOM 1615 N LYS B 57 -7.942 -8.897 -2.729 1.00 0.00 N ATOM 1616 CA LYS B 57 -8.916 -9.771 -3.447 1.00 0.00 C ATOM 1617 C LYS B 57 -10.086 -8.942 -3.988 1.00 0.00 C ATOM 1618 O LYS B 57 -11.131 -9.468 -4.313 1.00 0.00 O ATOM 1619 CB LYS B 57 -9.405 -10.766 -2.394 1.00 0.00 C ATOM 1620 CG LYS B 57 -8.570 -12.045 -2.475 1.00 0.00 C ATOM 1621 CD LYS B 57 -9.221 -13.019 -3.458 1.00 0.00 C ATOM 1622 CE LYS B 57 -8.377 -14.292 -3.552 1.00 0.00 C ATOM 1623 NZ LYS B 57 -7.562 -14.121 -4.790 1.00 0.00 N ATOM 0 H LYS B 57 -8.119 -8.775 -1.732 1.00 0.00 H new ATOM 0 HA LYS B 57 -8.464 -10.270 -4.304 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -9.324 -10.328 -1.399 1.00 0.00 H new ATOM 0 HB3 LYS B 57 -10.458 -10.996 -2.556 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -7.556 -11.810 -2.798 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -8.492 -12.504 -1.489 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -10.231 -13.263 -3.129 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -9.309 -12.555 -4.441 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -7.742 -14.411 -2.674 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -9.006 -15.180 -3.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -6.955 -14.955 -4.924 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -8.194 -14.017 -5.610 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -6.968 -13.272 -4.700 1.00 0.00 H new ATOM 1637 N GLU B 58 -9.919 -7.651 -4.090 1.00 0.00 N ATOM 1638 CA GLU B 58 -11.024 -6.797 -4.616 1.00 0.00 C ATOM 1639 C GLU B 58 -11.035 -6.836 -6.145 1.00 0.00 C ATOM 1640 O GLU B 58 -12.041 -6.582 -6.777 1.00 0.00 O ATOM 1641 CB GLU B 58 -10.710 -5.386 -4.116 1.00 0.00 C ATOM 1642 CG GLU B 58 -11.914 -4.477 -4.365 1.00 0.00 C ATOM 1643 CD GLU B 58 -12.539 -4.076 -3.027 1.00 0.00 C ATOM 1644 OE1 GLU B 58 -12.023 -3.163 -2.405 1.00 0.00 O ATOM 1645 OE2 GLU B 58 -13.522 -4.692 -2.646 1.00 0.00 O ATOM 0 H GLU B 58 -9.068 -7.151 -3.833 1.00 0.00 H new ATOM 0 HA GLU B 58 -12.004 -7.136 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.473 -5.410 -3.052 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.832 -4.994 -4.630 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -11.604 -3.588 -4.914 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -12.650 -4.992 -4.982 1.00 0.00 H new ATOM 1652 N GLU B 59 -9.919 -7.153 -6.745 1.00 0.00 N ATOM 1653 CA GLU B 59 -9.861 -7.210 -8.233 1.00 0.00 C ATOM 1654 C GLU B 59 -8.549 -7.858 -8.684 1.00 0.00 C ATOM 1655 O GLU B 59 -7.518 -7.690 -8.062 1.00 0.00 O ATOM 1656 CB GLU B 59 -9.923 -5.751 -8.689 1.00 0.00 C ATOM 1657 CG GLU B 59 -10.686 -5.663 -10.013 1.00 0.00 C ATOM 1658 CD GLU B 59 -10.626 -4.229 -10.541 1.00 0.00 C ATOM 1659 OE1 GLU B 59 -10.521 -3.323 -9.732 1.00 0.00 O ATOM 1660 OE2 GLU B 59 -10.683 -4.059 -11.750 1.00 0.00 O ATOM 0 H GLU B 59 -9.045 -7.375 -6.268 1.00 0.00 H new ATOM 0 HA GLU B 59 -10.672 -7.803 -8.656 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -10.417 -5.143 -7.931 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -8.915 -5.353 -8.810 1.00 0.00 H new ATOM 0 HG2 GLU B 59 -10.253 -6.349 -10.741 1.00 0.00 H new ATOM 0 HG3 GLU B 59 -11.723 -5.966 -9.868 1.00 0.00 H new ATOM 1667 N ALA B 60 -8.579 -8.596 -9.758 1.00 0.00 N ATOM 1668 CA ALA B 60 -7.333 -9.256 -10.244 1.00 0.00 C ATOM 1669 C ALA B 60 -7.474 -9.626 -11.723 1.00 0.00 C ATOM 1670 O ALA B 60 -8.290 -10.448 -12.092 1.00 0.00 O ATOM 1671 CB ALA B 60 -7.190 -10.514 -9.387 1.00 0.00 C ATOM 0 H ALA B 60 -9.411 -8.771 -10.321 1.00 0.00 H new ATOM 0 HA ALA B 60 -6.462 -8.606 -10.161 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -6.293 -11.057 -9.685 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -7.112 -10.232 -8.337 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -8.063 -11.151 -9.528 1.00 0.00 H new ATOM 1677 N LYS B 61 -6.685 -9.028 -12.574 1.00 0.00 N ATOM 1678 CA LYS B 61 -6.773 -9.348 -14.027 1.00 0.00 C ATOM 1679 C LYS B 61 -8.215 -9.184 -14.517 1.00 0.00 C ATOM 1680 O LYS B 61 -8.939 -8.404 -13.918 1.00 0.00 O ATOM 1681 CB LYS B 61 -6.333 -10.808 -14.140 1.00 0.00 C ATOM 1682 CG LYS B 61 -5.093 -10.903 -15.029 1.00 0.00 C ATOM 1683 CD LYS B 61 -4.973 -12.322 -15.590 1.00 0.00 C ATOM 1684 CE LYS B 61 -4.144 -12.294 -16.876 1.00 0.00 C ATOM 1685 NZ LYS B 61 -3.704 -13.703 -17.079 1.00 0.00 N ATOM 1686 OXT LYS B 61 -8.570 -9.838 -15.483 1.00 0.00 O ATOM 0 H LYS B 61 -5.983 -8.331 -12.325 1.00 0.00 H new ATOM 0 HA LYS B 61 -6.153 -8.688 -14.633 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -6.115 -11.210 -13.151 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -7.140 -11.410 -14.558 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -5.161 -10.183 -15.844 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -4.201 -10.651 -14.455 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -4.503 -12.976 -14.856 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -5.964 -12.730 -15.792 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -4.736 -11.939 -17.720 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -3.290 -11.623 -16.781 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -3.129 -13.766 -17.943 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -3.137 -14.011 -16.263 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -4.538 -14.317 -17.173 1.00 0.00 H new TER 1700 LYS B 61