USER MOD reduce.3.24.130724 H: found=0, std=0, add=1378, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 1380 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 LYS NZ :NH3+ 176:sc= 0.584 (180deg=0.515) USER MOD Set 1.2: B 65 TYR OH : rot 150:sc= 0.0062 USER MOD Set 2.1: B 64 SER OG : rot -109:sc= 0.958 USER MOD Set 2.2: B 75 TYR OH : rot 4:sc= 1.51 USER MOD Set 3.1: B 13 MET CE :methyl 157:sc= -0.189 (180deg=-0.54) USER MOD Set 3.2: B 17 MET CE :methyl 149:sc= -12.5! (180deg=-16.7!) USER MOD Set 3.3: B 50 TYR OH : rot -125:sc= -1.28! USER MOD Set 4.1: A 88 SER OG : rot 180:sc= -1.07 USER MOD Set 4.2: B 55 HIS : no HD1:sc= -16.5! C(o=-17!,f=-18!) USER MOD Set 4.3: B 88 SER OG : rot -61:sc= 0.199! USER MOD Set 5.1: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 72 HIS : no HE2:sc= -5.22! C(o=-5.3!,f=-18!) USER MOD Set 5.3: A 87 LYS NZ :NH3+ -178:sc= -0.0697 (180deg=-0.0955) USER MOD Set 6.1: A 27 GLN : amide:sc=-0.00311 X(o=-0.097,f=-0.22) USER MOD Set 6.2: A 31 LYS NZ :NH3+ -167:sc= -0.0938 (180deg=-0.407) USER MOD Set 7.1: A 24 CYS SG : rot 180:sc= 0 USER MOD Set 7.2: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.3: A 50 TYR OH : rot 2:sc= 1.26 USER MOD Set 8.1: A 13 MET CE :methyl -179:sc= -1.21 (180deg=-1.1) USER MOD Set 8.2: A 18 GLN : amide:sc= -21.8! C(o=-23!,f=-28!) USER MOD Single : A 5 LYS NZ :NH3+ -160:sc= -0.0366 (180deg=-0.274) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.767 F(o=-3.7!,f=-0.77) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -109:sc= -8.98! (180deg=-12.8!) USER MOD Single : A 19 GLN : amide:sc=-0.000511 X(o=-0.00051,f=0) USER MOD Single : A 21 SER OG : rot -42:sc= -4.84! USER MOD Single : A 26 THR OG1 : rot 69:sc= 0.776 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -2.67! C(o=-6.2!,f=-2.7!) USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= -0.156 (180deg=-0.613) USER MOD Single : A 41 HIS : no HE2:sc= -23.6! C(o=-24!,f=-26!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -126:sc= -0.233 (180deg=-0.426) USER MOD Single : A 51 ASN : amide:sc= -0.254 K(o=-0.25,f=-1.9!) USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00183 USER MOD Single : A 55 HIS : no HD1:sc= -18.5! C(o=-19!,f=-22!) USER MOD Single : A 56 CYS SG : rot 100:sc= -1.89! USER MOD Single : A 61 ASN : amide:sc= -0.0318 X(o=-0.032,f=0.4) USER MOD Single : A 64 SER OG : rot -114:sc= 1.21 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.252 USER MOD Single : A 68 HIS : no HD1:sc= -4.28 K(o=-4.3,f=-5.4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 6:sc= 0.139 USER MOD Single : A 77 TYR OH : rot 180:sc= -4.67! USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN :FLIP amide:sc= -0.678 F(o=-4.6!,f=-0.68) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= -9.76! C(o=-9.8!,f=-11!) USER MOD Single : B 19 GLN : amide:sc= -3.61! C(o=-3.6!,f=-7.5!) USER MOD Single : B 21 SER OG : rot 82:sc= -3.72! USER MOD Single : B 24 CYS SG : rot -35:sc= -0.584 USER MOD Single : B 26 THR OG1 : rot 68:sc= 0.276 USER MOD Single : B 27 GLN :FLIP amide:sc= -0.463 F(o=-3.9!,f=-0.46) USER MOD Single : B 31 LYS NZ :NH3+ -169:sc= -0.012 (180deg=-0.156) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 36 LYS NZ :NH3+ -124:sc= -1.39 (180deg=-5.1!) USER MOD Single : B 41 HIS : no HE2:sc= -23.3! C(o=-23!,f=-25!) USER MOD Single : B 43 LYS NZ :NH3+ 174:sc= 0.013 (180deg=-0.0226) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.022) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN :FLIP amide:sc= -0.224 F(o=-3.5!,f=-0.22) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 56 CYS SG : rot -170:sc= -4.96! USER MOD Single : B 61 ASN : amide:sc= -3.18! C(o=-3.2!,f=-3.2!) USER MOD Single : B 67 THR OG1 : rot -124:sc= -1.37 USER MOD Single : B 68 HIS : no HD1:sc= -0.564 K(o=-0.56,f=-3.6!) USER MOD Single : B 70 THR OG1 : rot -68:sc= -2.85 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 HIS : no HD1:sc= -4.19! C(o=-4.2!,f=-4.9!) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 80 GLN : amide:sc= -0.0877 K(o=-0.088,f=-0.63) USER MOD Single : B 87 LYS NZ :NH3+ -149:sc= -0.387 (180deg=-0.746) USER MOD ----------------------------------------------------------------- ATOM 67 N LYS A 5 -17.752 7.079 7.622 1.00 0.00 N ATOM 68 CA LYS A 5 -17.160 7.123 8.953 1.00 0.00 C ATOM 69 C LYS A 5 -15.646 7.285 8.867 1.00 0.00 C ATOM 70 O LYS A 5 -14.897 6.604 9.568 1.00 0.00 O ATOM 71 CB LYS A 5 -17.505 5.854 9.734 1.00 0.00 C ATOM 72 CG LYS A 5 -16.980 5.855 11.160 1.00 0.00 C ATOM 73 CD LYS A 5 -17.655 6.928 12.001 1.00 0.00 C ATOM 74 CE LYS A 5 -17.455 6.678 13.488 1.00 0.00 C ATOM 75 NZ LYS A 5 -18.204 5.478 13.954 1.00 0.00 N ATOM 0 HA LYS A 5 -17.573 7.985 9.478 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -18.588 5.733 9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -17.098 4.991 9.207 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -17.149 4.877 11.612 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.903 6.021 11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.251 7.906 11.738 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.721 6.952 11.775 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -16.393 6.546 13.695 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.783 7.552 14.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.328 5.525 14.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -19.136 5.450 13.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.671 4.619 13.709 1.00 0.00 H new ATOM 89 N ALA A 6 -15.203 8.187 7.998 1.00 0.00 N ATOM 90 CA ALA A 6 -13.780 8.436 7.815 1.00 0.00 C ATOM 91 C ALA A 6 -13.456 9.919 7.931 1.00 0.00 C ATOM 92 O ALA A 6 -14.352 10.758 8.031 1.00 0.00 O ATOM 93 CB ALA A 6 -13.324 7.912 6.464 1.00 0.00 C ATOM 0 H ALA A 6 -15.810 8.758 7.410 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.246 7.909 8.606 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.258 8.105 6.340 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.508 6.839 6.409 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.878 8.416 5.672 1.00 0.00 H new ATOM 99 N VAL A 7 -12.167 10.231 7.908 1.00 0.00 N ATOM 100 CA VAL A 7 -11.709 11.610 8.001 1.00 0.00 C ATOM 101 C VAL A 7 -10.662 11.902 6.934 1.00 0.00 C ATOM 102 O VAL A 7 -9.462 11.873 7.205 1.00 0.00 O ATOM 103 CB VAL A 7 -11.106 11.912 9.387 1.00 0.00 C ATOM 104 CG1 VAL A 7 -10.756 13.388 9.509 1.00 0.00 C ATOM 105 CG2 VAL A 7 -12.064 11.489 10.490 1.00 0.00 C ATOM 0 H VAL A 7 -11.418 9.544 7.825 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.580 12.248 7.847 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.187 11.336 9.496 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.332 13.581 10.494 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.028 13.654 8.742 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.657 13.988 9.378 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -11.621 11.710 11.461 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -13.002 12.035 10.386 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.256 10.419 10.414 1.00 0.00 H new ATOM 115 N ILE A 8 -11.120 12.179 5.716 1.00 0.00 N ATOM 116 CA ILE A 8 -10.211 12.473 4.617 1.00 0.00 C ATOM 117 C ILE A 8 -9.200 13.540 5.030 1.00 0.00 C ATOM 118 O ILE A 8 -9.486 14.392 5.871 1.00 0.00 O ATOM 119 CB ILE A 8 -10.981 12.921 3.345 1.00 0.00 C ATOM 120 CG1 ILE A 8 -11.408 11.697 2.533 1.00 0.00 C ATOM 121 CG2 ILE A 8 -10.140 13.850 2.476 1.00 0.00 C ATOM 122 CD1 ILE A 8 -12.806 11.212 2.852 1.00 0.00 C ATOM 0 H ILE A 8 -12.109 12.206 5.468 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.676 11.555 4.376 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.864 13.472 3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.350 11.938 1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.702 10.887 2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -10.713 14.142 1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.873 14.739 3.047 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.232 13.333 2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.038 10.342 2.238 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.865 10.938 3.905 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.523 12.006 2.643 1.00 0.00 H new ATOM 134 N LYS A 9 -8.018 13.479 4.433 1.00 0.00 N ATOM 135 CA LYS A 9 -6.956 14.433 4.736 1.00 0.00 C ATOM 136 C LYS A 9 -5.930 14.478 3.607 1.00 0.00 C ATOM 137 O LYS A 9 -4.942 15.207 3.680 1.00 0.00 O ATOM 138 CB LYS A 9 -6.268 14.063 6.052 1.00 0.00 C ATOM 139 CG LYS A 9 -7.049 13.061 6.891 1.00 0.00 C ATOM 140 CD LYS A 9 -7.462 13.652 8.229 1.00 0.00 C ATOM 141 CE LYS A 9 -7.744 12.565 9.253 1.00 0.00 C ATOM 142 NZ LYS A 9 -6.967 12.766 10.508 1.00 0.00 N ATOM 0 H LYS A 9 -7.768 12.779 3.735 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.406 15.421 4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.283 13.651 5.833 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.111 14.969 6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.936 12.742 6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.440 12.172 7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.672 14.306 8.599 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.351 14.269 8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.809 12.552 9.484 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.499 11.592 8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.189 12.003 11.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.950 12.753 10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.220 13.683 10.930 1.00 0.00 H new ATOM 156 N ASN A 10 -6.176 13.691 2.567 1.00 0.00 N ATOM 157 CA ASN A 10 -5.279 13.635 1.418 1.00 0.00 C ATOM 158 C ASN A 10 -6.001 13.066 0.203 1.00 0.00 C ATOM 159 O ASN A 10 -5.826 11.899 -0.144 1.00 0.00 O ATOM 160 CB ASN A 10 -4.054 12.780 1.745 1.00 0.00 C ATOM 161 CG ASN A 10 -2.761 13.418 1.278 1.00 0.00 C ATOM 162 OD1 ASN A 10 -2.871 14.544 0.586 1.00 0.00 O flip ATOM 163 ND2 ASN A 10 -1.673 12.902 1.535 1.00 0.00 N flip ATOM 0 H ASN A 10 -6.991 13.081 2.495 1.00 0.00 H new ATOM 0 HA ASN A 10 -4.953 14.649 1.187 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.006 12.615 2.821 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.162 11.801 1.277 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.634 12.035 2.071 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.811 13.342 1.212 1.00 0.00 H new ATOM 170 N ALA A 11 -6.822 13.895 -0.435 1.00 0.00 N ATOM 171 CA ALA A 11 -7.576 13.463 -1.604 1.00 0.00 C ATOM 172 C ALA A 11 -7.202 14.262 -2.849 1.00 0.00 C ATOM 173 O ALA A 11 -6.432 15.220 -2.785 1.00 0.00 O ATOM 174 CB ALA A 11 -9.070 13.579 -1.334 1.00 0.00 C ATOM 0 H ALA A 11 -6.981 14.865 -0.163 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.322 12.420 -1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.625 13.254 -2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.336 12.950 -0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.320 14.616 -1.110 1.00 0.00 H new ATOM 180 N ASP A 12 -7.762 13.848 -3.979 1.00 0.00 N ATOM 181 CA ASP A 12 -7.516 14.496 -5.260 1.00 0.00 C ATOM 182 C ASP A 12 -8.416 13.877 -6.321 1.00 0.00 C ATOM 183 O ASP A 12 -8.078 13.837 -7.504 1.00 0.00 O ATOM 184 CB ASP A 12 -6.046 14.353 -5.664 1.00 0.00 C ATOM 185 CG ASP A 12 -5.262 15.636 -5.467 1.00 0.00 C ATOM 186 OD1 ASP A 12 -4.821 15.893 -4.327 1.00 0.00 O ATOM 187 OD2 ASP A 12 -5.091 16.385 -6.451 1.00 0.00 O ATOM 0 H ASP A 12 -8.399 13.053 -4.032 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.741 15.559 -5.169 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.587 13.557 -5.078 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.988 14.052 -6.710 1.00 0.00 H new ATOM 192 N MET A 13 -9.565 13.386 -5.869 1.00 0.00 N ATOM 193 CA MET A 13 -10.539 12.748 -6.746 1.00 0.00 C ATOM 194 C MET A 13 -11.901 13.424 -6.621 1.00 0.00 C ATOM 195 O MET A 13 -12.110 14.260 -5.742 1.00 0.00 O ATOM 196 CB MET A 13 -10.658 11.263 -6.391 1.00 0.00 C ATOM 197 CG MET A 13 -11.923 10.604 -6.914 1.00 0.00 C ATOM 198 SD MET A 13 -11.745 8.821 -7.107 1.00 0.00 S ATOM 199 CE MET A 13 -11.301 8.344 -5.438 1.00 0.00 C ATOM 0 H MET A 13 -9.846 13.419 -4.889 1.00 0.00 H new ATOM 0 HA MET A 13 -10.199 12.848 -7.777 1.00 0.00 H new ATOM 0 HB2 MET A 13 -9.793 10.734 -6.790 1.00 0.00 H new ATOM 0 HB3 MET A 13 -10.625 11.155 -5.307 1.00 0.00 H new ATOM 0 HG2 MET A 13 -12.746 10.812 -6.230 1.00 0.00 H new ATOM 0 HG3 MET A 13 -12.188 11.045 -7.875 1.00 0.00 H new ATOM 0 HE1 MET A 13 -11.139 7.267 -5.398 1.00 0.00 H new ATOM 0 HE2 MET A 13 -10.387 8.860 -5.143 1.00 0.00 H new ATOM 0 HE3 MET A 13 -12.107 8.615 -4.756 1.00 0.00 H new ATOM 209 N SER A 14 -12.826 13.054 -7.500 1.00 0.00 N ATOM 210 CA SER A 14 -14.167 13.624 -7.479 1.00 0.00 C ATOM 211 C SER A 14 -14.791 13.481 -6.094 1.00 0.00 C ATOM 212 O SER A 14 -14.662 12.440 -5.450 1.00 0.00 O ATOM 213 CB SER A 14 -15.053 12.942 -8.523 1.00 0.00 C ATOM 214 OG SER A 14 -15.411 13.844 -9.556 1.00 0.00 O ATOM 0 H SER A 14 -12.672 12.363 -8.234 1.00 0.00 H new ATOM 0 HA SER A 14 -14.090 14.684 -7.719 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.527 12.087 -8.948 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.953 12.556 -8.045 1.00 0.00 H new ATOM 0 HG SER A 14 -15.976 13.383 -10.211 1.00 0.00 H new ATOM 220 N GLU A 15 -15.466 14.532 -5.642 1.00 0.00 N ATOM 221 CA GLU A 15 -16.107 14.520 -4.332 1.00 0.00 C ATOM 222 C GLU A 15 -16.839 13.203 -4.095 1.00 0.00 C ATOM 223 O GLU A 15 -16.453 12.413 -3.233 1.00 0.00 O ATOM 224 CB GLU A 15 -17.085 15.689 -4.209 1.00 0.00 C ATOM 225 CG GLU A 15 -16.490 17.029 -4.607 1.00 0.00 C ATOM 226 CD GLU A 15 -17.203 18.198 -3.955 1.00 0.00 C ATOM 227 OE1 GLU A 15 -18.083 17.955 -3.102 1.00 0.00 O ATOM 228 OE2 GLU A 15 -16.882 19.356 -4.299 1.00 0.00 O ATOM 0 H GLU A 15 -15.583 15.402 -6.162 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.330 14.624 -3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -17.956 15.489 -4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -17.437 15.750 -3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.436 17.051 -4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.538 17.137 -5.691 1.00 0.00 H new ATOM 235 N GLU A 16 -17.899 12.974 -4.864 1.00 0.00 N ATOM 236 CA GLU A 16 -18.685 11.754 -4.738 1.00 0.00 C ATOM 237 C GLU A 16 -17.783 10.525 -4.711 1.00 0.00 C ATOM 238 O GLU A 16 -18.078 9.541 -4.032 1.00 0.00 O ATOM 239 CB GLU A 16 -19.682 11.640 -5.893 1.00 0.00 C ATOM 240 CG GLU A 16 -21.114 11.958 -5.493 1.00 0.00 C ATOM 241 CD GLU A 16 -22.057 10.795 -5.731 1.00 0.00 C ATOM 242 OE1 GLU A 16 -21.752 9.950 -6.598 1.00 0.00 O ATOM 243 OE2 GLU A 16 -23.102 10.729 -5.049 1.00 0.00 O ATOM 0 H GLU A 16 -18.233 13.618 -5.581 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.233 11.803 -3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.378 12.316 -6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.642 10.629 -6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -21.140 12.233 -4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -21.461 12.824 -6.057 1.00 0.00 H new ATOM 250 N MET A 17 -16.682 10.590 -5.452 1.00 0.00 N ATOM 251 CA MET A 17 -15.738 9.482 -5.510 1.00 0.00 C ATOM 252 C MET A 17 -15.017 9.313 -4.178 1.00 0.00 C ATOM 253 O MET A 17 -14.628 8.207 -3.807 1.00 0.00 O ATOM 254 CB MET A 17 -14.722 9.707 -6.631 1.00 0.00 C ATOM 255 CG MET A 17 -15.244 9.336 -8.010 1.00 0.00 C ATOM 256 SD MET A 17 -16.207 7.812 -7.997 1.00 0.00 S ATOM 257 CE MET A 17 -14.968 6.638 -7.452 1.00 0.00 C ATOM 0 H MET A 17 -16.422 11.397 -6.019 1.00 0.00 H new ATOM 0 HA MET A 17 -16.298 8.570 -5.717 1.00 0.00 H new ATOM 0 HB2 MET A 17 -14.424 10.755 -6.635 1.00 0.00 H new ATOM 0 HB3 MET A 17 -13.827 9.122 -6.421 1.00 0.00 H new ATOM 0 HG2 MET A 17 -15.862 10.149 -8.392 1.00 0.00 H new ATOM 0 HG3 MET A 17 -14.404 9.225 -8.695 1.00 0.00 H new ATOM 0 HE1 MET A 17 -14.693 5.988 -8.282 1.00 0.00 H new ATOM 0 HE2 MET A 17 -14.086 7.175 -7.104 1.00 0.00 H new ATOM 0 HE3 MET A 17 -15.371 6.036 -6.638 1.00 0.00 H new ATOM 267 N GLN A 18 -14.846 10.419 -3.460 1.00 0.00 N ATOM 268 CA GLN A 18 -14.176 10.390 -2.166 1.00 0.00 C ATOM 269 C GLN A 18 -15.083 9.781 -1.105 1.00 0.00 C ATOM 270 O GLN A 18 -14.632 9.016 -0.252 1.00 0.00 O ATOM 271 CB GLN A 18 -13.752 11.799 -1.752 1.00 0.00 C ATOM 272 CG GLN A 18 -13.401 12.694 -2.927 1.00 0.00 C ATOM 273 CD GLN A 18 -12.263 12.137 -3.760 1.00 0.00 C ATOM 274 OE1 GLN A 18 -12.372 11.054 -4.335 1.00 0.00 O ATOM 275 NE2 GLN A 18 -11.162 12.875 -3.828 1.00 0.00 N ATOM 0 H GLN A 18 -15.162 11.344 -3.752 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.285 9.769 -2.257 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.559 12.260 -1.182 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.891 11.730 -1.087 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.281 12.822 -3.558 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.127 13.682 -2.558 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.115 13.767 -3.335 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.363 12.550 -4.373 1.00 0.00 H new ATOM 284 N GLN A 19 -16.368 10.110 -1.176 1.00 0.00 N ATOM 285 CA GLN A 19 -17.340 9.580 -0.232 1.00 0.00 C ATOM 286 C GLN A 19 -17.634 8.128 -0.572 1.00 0.00 C ATOM 287 O GLN A 19 -17.854 7.298 0.311 1.00 0.00 O ATOM 288 CB GLN A 19 -18.629 10.403 -0.266 1.00 0.00 C ATOM 289 CG GLN A 19 -18.688 11.483 0.800 1.00 0.00 C ATOM 290 CD GLN A 19 -19.601 12.632 0.417 1.00 0.00 C ATOM 291 OE1 GLN A 19 -20.776 12.431 0.112 1.00 0.00 O ATOM 292 NE2 GLN A 19 -19.062 13.846 0.431 1.00 0.00 N ATOM 0 H GLN A 19 -16.759 10.740 -1.877 1.00 0.00 H new ATOM 0 HA GLN A 19 -16.926 9.640 0.775 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -18.728 10.867 -1.247 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -19.481 9.734 -0.142 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -19.034 11.045 1.736 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -17.684 11.866 0.979 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -18.083 13.966 0.690 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -19.627 14.658 0.182 1.00 0.00 H new ATOM 301 N ASP A 20 -17.611 7.829 -1.867 1.00 0.00 N ATOM 302 CA ASP A 20 -17.852 6.476 -2.338 1.00 0.00 C ATOM 303 C ASP A 20 -16.641 5.605 -2.034 1.00 0.00 C ATOM 304 O ASP A 20 -16.773 4.433 -1.681 1.00 0.00 O ATOM 305 CB ASP A 20 -18.138 6.476 -3.842 1.00 0.00 C ATOM 306 CG ASP A 20 -19.454 5.802 -4.179 1.00 0.00 C ATOM 307 OD1 ASP A 20 -20.404 5.922 -3.380 1.00 0.00 O ATOM 308 OD2 ASP A 20 -19.532 5.155 -5.246 1.00 0.00 O ATOM 0 H ASP A 20 -17.428 8.507 -2.606 1.00 0.00 H new ATOM 0 HA ASP A 20 -18.723 6.072 -1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -18.155 7.503 -4.206 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.328 5.966 -4.363 1.00 0.00 H new ATOM 313 N SER A 21 -15.459 6.201 -2.159 1.00 0.00 N ATOM 314 CA SER A 21 -14.216 5.498 -1.880 1.00 0.00 C ATOM 315 C SER A 21 -14.173 5.087 -0.417 1.00 0.00 C ATOM 316 O SER A 21 -13.862 3.944 -0.087 1.00 0.00 O ATOM 317 CB SER A 21 -13.015 6.386 -2.209 1.00 0.00 C ATOM 318 OG SER A 21 -12.862 7.413 -1.245 1.00 0.00 O ATOM 0 H SER A 21 -15.338 7.170 -2.452 1.00 0.00 H new ATOM 0 HA SER A 21 -14.170 4.606 -2.505 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.110 5.780 -2.246 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.144 6.827 -3.197 1.00 0.00 H new ATOM 0 HG SER A 21 -13.740 7.787 -1.023 1.00 0.00 H new ATOM 324 N VAL A 22 -14.498 6.034 0.458 1.00 0.00 N ATOM 325 CA VAL A 22 -14.510 5.775 1.888 1.00 0.00 C ATOM 326 C VAL A 22 -15.454 4.627 2.221 1.00 0.00 C ATOM 327 O VAL A 22 -15.080 3.685 2.919 1.00 0.00 O ATOM 328 CB VAL A 22 -14.938 7.021 2.683 1.00 0.00 C ATOM 329 CG1 VAL A 22 -14.788 6.773 4.174 1.00 0.00 C ATOM 330 CG2 VAL A 22 -14.129 8.235 2.249 1.00 0.00 C ATOM 0 H VAL A 22 -14.756 6.986 0.199 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.492 5.507 2.172 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.989 7.224 2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.094 7.663 4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.415 5.931 4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.747 6.546 4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.445 9.107 2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.070 8.049 2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.292 8.420 1.187 1.00 0.00 H new ATOM 340 N GLU A 23 -16.678 4.706 1.707 1.00 0.00 N ATOM 341 CA GLU A 23 -17.669 3.665 1.946 1.00 0.00 C ATOM 342 C GLU A 23 -17.119 2.308 1.525 1.00 0.00 C ATOM 343 O GLU A 23 -17.346 1.299 2.192 1.00 0.00 O ATOM 344 CB GLU A 23 -18.959 3.973 1.183 1.00 0.00 C ATOM 345 CG GLU A 23 -19.561 5.326 1.529 1.00 0.00 C ATOM 346 CD GLU A 23 -20.889 5.564 0.841 1.00 0.00 C ATOM 347 OE1 GLU A 23 -21.857 4.837 1.151 1.00 0.00 O ATOM 348 OE2 GLU A 23 -20.963 6.478 -0.007 1.00 0.00 O ATOM 0 H GLU A 23 -17.005 5.477 1.125 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.894 3.637 3.012 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -18.756 3.938 0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.691 3.194 1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.698 5.394 2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -18.863 6.114 1.246 1.00 0.00 H new ATOM 355 N CYS A 24 -16.380 2.296 0.420 1.00 0.00 N ATOM 356 CA CYS A 24 -15.780 1.068 -0.085 1.00 0.00 C ATOM 357 C CYS A 24 -14.714 0.568 0.881 1.00 0.00 C ATOM 358 O CYS A 24 -14.580 -0.635 1.110 1.00 0.00 O ATOM 359 CB CYS A 24 -15.170 1.298 -1.468 1.00 0.00 C ATOM 360 SG CYS A 24 -15.394 -0.086 -2.610 1.00 0.00 S ATOM 0 H CYS A 24 -16.183 3.124 -0.142 1.00 0.00 H new ATOM 0 HA CYS A 24 -16.561 0.312 -0.172 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -15.614 2.192 -1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -14.104 1.494 -1.355 1.00 0.00 H new ATOM 0 HG CYS A 24 -14.847 0.202 -3.754 1.00 0.00 H new ATOM 366 N ALA A 25 -13.977 1.505 1.471 1.00 0.00 N ATOM 367 CA ALA A 25 -12.949 1.160 2.437 1.00 0.00 C ATOM 368 C ALA A 25 -13.627 0.679 3.701 1.00 0.00 C ATOM 369 O ALA A 25 -13.097 -0.141 4.451 1.00 0.00 O ATOM 370 CB ALA A 25 -12.052 2.357 2.720 1.00 0.00 C ATOM 0 H ALA A 25 -14.075 2.505 1.295 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.314 0.369 2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.289 2.076 3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.572 2.679 1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.652 3.174 3.121 1.00 0.00 H new ATOM 376 N THR A 26 -14.835 1.189 3.901 1.00 0.00 N ATOM 377 CA THR A 26 -15.650 0.822 5.039 1.00 0.00 C ATOM 378 C THR A 26 -16.201 -0.580 4.833 1.00 0.00 C ATOM 379 O THR A 26 -16.248 -1.387 5.762 1.00 0.00 O ATOM 380 CB THR A 26 -16.794 1.817 5.197 1.00 0.00 C ATOM 381 OG1 THR A 26 -16.334 3.146 5.020 1.00 0.00 O ATOM 382 CG2 THR A 26 -17.463 1.740 6.545 1.00 0.00 C ATOM 0 H THR A 26 -15.272 1.867 3.277 1.00 0.00 H new ATOM 0 HA THR A 26 -15.042 0.839 5.944 1.00 0.00 H new ATOM 0 HB THR A 26 -17.520 1.548 4.430 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.080 3.282 4.083 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.268 2.473 6.594 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.873 0.741 6.691 1.00 0.00 H new ATOM 0 HG23 THR A 26 -16.733 1.951 7.326 1.00 0.00 H new ATOM 390 N GLN A 27 -16.599 -0.867 3.595 1.00 0.00 N ATOM 391 CA GLN A 27 -17.126 -2.177 3.250 1.00 0.00 C ATOM 392 C GLN A 27 -16.109 -3.246 3.607 1.00 0.00 C ATOM 393 O GLN A 27 -16.442 -4.265 4.212 1.00 0.00 O ATOM 394 CB GLN A 27 -17.457 -2.246 1.757 1.00 0.00 C ATOM 395 CG GLN A 27 -18.906 -1.914 1.442 1.00 0.00 C ATOM 396 CD GLN A 27 -19.654 -3.084 0.832 1.00 0.00 C ATOM 397 OE1 GLN A 27 -20.612 -3.593 1.413 1.00 0.00 O ATOM 398 NE2 GLN A 27 -19.217 -3.517 -0.345 1.00 0.00 N ATOM 0 H GLN A 27 -16.565 -0.207 2.818 1.00 0.00 H new ATOM 0 HA GLN A 27 -18.043 -2.348 3.815 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.809 -1.556 1.217 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -17.234 -3.247 1.389 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -19.410 -1.602 2.357 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -18.940 -1.068 0.755 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -18.419 -3.065 -0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -19.680 -4.302 -0.803 1.00 0.00 H new ATOM 407 N ALA A 28 -14.856 -2.991 3.248 1.00 0.00 N ATOM 408 CA ALA A 28 -13.774 -3.915 3.550 1.00 0.00 C ATOM 409 C ALA A 28 -13.413 -3.820 5.027 1.00 0.00 C ATOM 410 O ALA A 28 -12.864 -4.752 5.614 1.00 0.00 O ATOM 411 CB ALA A 28 -12.563 -3.619 2.679 1.00 0.00 C ATOM 0 H ALA A 28 -14.566 -2.151 2.747 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.104 -4.931 3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.763 -4.320 2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.836 -3.724 1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.221 -2.601 2.865 1.00 0.00 H new ATOM 417 N LEU A 29 -13.735 -2.678 5.624 1.00 0.00 N ATOM 418 CA LEU A 29 -13.462 -2.446 7.033 1.00 0.00 C ATOM 419 C LEU A 29 -14.429 -3.234 7.910 1.00 0.00 C ATOM 420 O LEU A 29 -14.068 -3.702 8.989 1.00 0.00 O ATOM 421 CB LEU A 29 -13.560 -0.958 7.349 1.00 0.00 C ATOM 422 CG LEU A 29 -12.290 -0.171 7.051 1.00 0.00 C ATOM 423 CD1 LEU A 29 -12.623 1.269 6.725 1.00 0.00 C ATOM 424 CD2 LEU A 29 -11.326 -0.246 8.226 1.00 0.00 C ATOM 0 H LEU A 29 -14.187 -1.897 5.149 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.449 -2.789 7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.382 -0.530 6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.810 -0.838 8.403 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.805 -0.616 6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.704 1.816 6.515 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.274 1.303 5.851 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.131 1.726 7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.425 0.322 7.994 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.801 0.173 9.113 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.061 -1.287 8.413 1.00 0.00 H new ATOM 436 N GLU A 30 -15.663 -3.383 7.432 1.00 0.00 N ATOM 437 CA GLU A 30 -16.686 -4.118 8.164 1.00 0.00 C ATOM 438 C GLU A 30 -16.732 -5.571 7.705 1.00 0.00 C ATOM 439 O GLU A 30 -17.208 -6.449 8.426 1.00 0.00 O ATOM 440 CB GLU A 30 -18.056 -3.461 7.971 1.00 0.00 C ATOM 441 CG GLU A 30 -18.518 -2.653 9.173 1.00 0.00 C ATOM 442 CD GLU A 30 -19.996 -2.833 9.464 1.00 0.00 C ATOM 443 OE1 GLU A 30 -20.706 -3.403 8.610 1.00 0.00 O ATOM 444 OE2 GLU A 30 -20.443 -2.403 10.549 1.00 0.00 O ATOM 0 H GLU A 30 -15.977 -3.003 6.539 1.00 0.00 H new ATOM 0 HA GLU A 30 -16.432 -4.096 9.224 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -18.017 -2.809 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -18.794 -4.235 7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -17.940 -2.949 10.049 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -18.312 -1.597 8.997 1.00 0.00 H new ATOM 451 N LYS A 31 -16.228 -5.816 6.500 1.00 0.00 N ATOM 452 CA LYS A 31 -16.202 -7.161 5.938 1.00 0.00 C ATOM 453 C LYS A 31 -14.907 -7.875 6.310 1.00 0.00 C ATOM 454 O LYS A 31 -14.786 -9.090 6.150 1.00 0.00 O ATOM 455 CB LYS A 31 -16.346 -7.101 4.416 1.00 0.00 C ATOM 456 CG LYS A 31 -17.714 -6.629 3.954 1.00 0.00 C ATOM 457 CD LYS A 31 -18.817 -7.540 4.463 1.00 0.00 C ATOM 458 CE LYS A 31 -20.176 -7.130 3.915 1.00 0.00 C ATOM 459 NZ LYS A 31 -20.421 -5.670 4.077 1.00 0.00 N ATOM 0 H LYS A 31 -15.831 -5.099 5.893 1.00 0.00 H new ATOM 0 HA LYS A 31 -17.040 -7.722 6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -15.585 -6.433 4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.153 -8.090 4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.888 -5.613 4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.741 -6.597 2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -18.603 -8.569 4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -18.839 -7.512 5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -20.237 -7.394 2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -20.958 -7.689 4.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -21.425 -5.465 3.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.174 -5.382 5.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.835 -5.142 3.399 1.00 0.00 H new ATOM 473 N TYR A 32 -13.944 -7.110 6.813 1.00 0.00 N ATOM 474 CA TYR A 32 -12.656 -7.662 7.216 1.00 0.00 C ATOM 475 C TYR A 32 -12.032 -6.818 8.323 1.00 0.00 C ATOM 476 O TYR A 32 -12.730 -6.313 9.201 1.00 0.00 O ATOM 477 CB TYR A 32 -11.704 -7.734 6.020 1.00 0.00 C ATOM 478 CG TYR A 32 -12.394 -8.001 4.702 1.00 0.00 C ATOM 479 CD1 TYR A 32 -13.134 -7.009 4.069 1.00 0.00 C ATOM 480 CD2 TYR A 32 -12.301 -9.242 4.086 1.00 0.00 C ATOM 481 CE1 TYR A 32 -13.762 -7.246 2.863 1.00 0.00 C ATOM 482 CE2 TYR A 32 -12.928 -9.486 2.878 1.00 0.00 C ATOM 483 CZ TYR A 32 -13.657 -8.485 2.271 1.00 0.00 C ATOM 484 OH TYR A 32 -14.281 -8.724 1.071 1.00 0.00 O ATOM 0 H TYR A 32 -14.032 -6.103 6.952 1.00 0.00 H new ATOM 0 HA TYR A 32 -12.824 -8.670 7.595 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.156 -6.795 5.948 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -10.969 -8.519 6.200 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -13.219 -6.036 4.529 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.730 -10.028 4.558 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -14.333 -6.463 2.386 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.847 -10.457 2.412 1.00 0.00 H new ATOM 0 HH TYR A 32 -14.107 -9.646 0.790 1.00 0.00 H new ATOM 494 N ASN A 33 -10.711 -6.668 8.267 1.00 0.00 N ATOM 495 CA ASN A 33 -9.976 -5.884 9.255 1.00 0.00 C ATOM 496 C ASN A 33 -8.502 -6.273 9.256 1.00 0.00 C ATOM 497 O ASN A 33 -7.849 -6.273 10.299 1.00 0.00 O ATOM 498 CB ASN A 33 -10.566 -6.080 10.652 1.00 0.00 C ATOM 499 CG ASN A 33 -11.517 -4.964 11.037 1.00 0.00 C ATOM 500 OD1 ASN A 33 -11.482 -3.873 10.280 1.00 0.00 O flip ATOM 501 ND2 ASN A 33 -12.273 -5.079 12.002 1.00 0.00 N flip ATOM 0 H ASN A 33 -10.125 -7.082 7.542 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.065 -4.832 8.984 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.093 -7.033 10.691 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.758 -6.133 11.381 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.266 -5.935 12.556 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.906 -4.318 12.247 1.00 0.00 H new ATOM 508 N ILE A 34 -7.988 -6.605 8.078 1.00 0.00 N ATOM 509 CA ILE A 34 -6.594 -7.000 7.935 1.00 0.00 C ATOM 510 C ILE A 34 -5.816 -5.984 7.109 1.00 0.00 C ATOM 511 O ILE A 34 -4.973 -6.353 6.295 1.00 0.00 O ATOM 512 CB ILE A 34 -6.465 -8.380 7.263 1.00 0.00 C ATOM 513 CG1 ILE A 34 -7.315 -9.418 7.996 1.00 0.00 C ATOM 514 CG2 ILE A 34 -5.006 -8.811 7.217 1.00 0.00 C ATOM 515 CD1 ILE A 34 -7.047 -9.474 9.480 1.00 0.00 C ATOM 0 H ILE A 34 -8.518 -6.608 7.206 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.179 -7.049 8.942 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.833 -8.303 6.240 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.369 -9.194 7.833 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.128 -10.401 7.563 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.930 -9.788 6.740 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.429 -8.083 6.647 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.612 -8.872 8.232 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.684 -10.231 9.936 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.001 -9.728 9.651 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.262 -8.503 9.925 1.00 0.00 H new ATOM 527 N GLU A 35 -6.105 -4.703 7.317 1.00 0.00 N ATOM 528 CA GLU A 35 -5.429 -3.642 6.578 1.00 0.00 C ATOM 529 C GLU A 35 -5.167 -4.074 5.139 1.00 0.00 C ATOM 530 O GLU A 35 -5.979 -3.822 4.249 1.00 0.00 O ATOM 531 CB GLU A 35 -4.112 -3.270 7.261 1.00 0.00 C ATOM 532 CG GLU A 35 -4.269 -2.901 8.727 1.00 0.00 C ATOM 533 CD GLU A 35 -5.017 -3.957 9.516 1.00 0.00 C ATOM 534 OE1 GLU A 35 -4.509 -5.094 9.614 1.00 0.00 O ATOM 535 OE2 GLU A 35 -6.111 -3.650 10.034 1.00 0.00 O ATOM 0 H GLU A 35 -6.800 -4.375 7.988 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.079 -2.767 6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.420 -4.108 7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.662 -2.431 6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.283 -2.753 9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.799 -1.952 8.804 1.00 0.00 H new ATOM 542 N LYS A 36 -4.037 -4.739 4.917 1.00 0.00 N ATOM 543 CA LYS A 36 -3.686 -5.214 3.585 1.00 0.00 C ATOM 544 C LYS A 36 -4.909 -5.802 2.892 1.00 0.00 C ATOM 545 O LYS A 36 -5.154 -5.542 1.714 1.00 0.00 O ATOM 546 CB LYS A 36 -2.577 -6.263 3.670 1.00 0.00 C ATOM 547 CG LYS A 36 -2.412 -6.863 5.056 1.00 0.00 C ATOM 548 CD LYS A 36 -2.450 -8.381 5.012 1.00 0.00 C ATOM 549 CE LYS A 36 -1.293 -8.942 4.201 1.00 0.00 C ATOM 550 NZ LYS A 36 -0.033 -8.187 4.438 1.00 0.00 N ATOM 0 H LYS A 36 -3.352 -4.960 5.640 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.325 -4.368 3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.789 -7.062 2.960 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.634 -5.808 3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.466 -6.534 5.486 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.204 -6.497 5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.411 -8.777 6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.394 -8.710 4.578 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.143 -9.990 4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.543 -8.908 3.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.778 -8.758 4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.056 -7.296 3.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.061 -7.978 5.452 1.00 0.00 H new ATOM 564 N ASP A 37 -5.680 -6.589 3.638 1.00 0.00 N ATOM 565 CA ASP A 37 -6.885 -7.208 3.101 1.00 0.00 C ATOM 566 C ASP A 37 -7.867 -6.140 2.637 1.00 0.00 C ATOM 567 O ASP A 37 -8.263 -6.109 1.473 1.00 0.00 O ATOM 568 CB ASP A 37 -7.540 -8.101 4.157 1.00 0.00 C ATOM 569 CG ASP A 37 -8.156 -9.351 3.557 1.00 0.00 C ATOM 570 OD1 ASP A 37 -7.448 -10.063 2.814 1.00 0.00 O ATOM 571 OD2 ASP A 37 -9.345 -9.618 3.831 1.00 0.00 O ATOM 0 H ASP A 37 -5.491 -6.812 4.615 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.606 -7.823 2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.795 -8.387 4.900 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.311 -7.535 4.680 1.00 0.00 H new ATOM 576 N ILE A 38 -8.249 -5.260 3.556 1.00 0.00 N ATOM 577 CA ILE A 38 -9.179 -4.185 3.242 1.00 0.00 C ATOM 578 C ILE A 38 -8.762 -3.462 1.967 1.00 0.00 C ATOM 579 O ILE A 38 -9.540 -3.352 1.019 1.00 0.00 O ATOM 580 CB ILE A 38 -9.262 -3.164 4.393 1.00 0.00 C ATOM 581 CG1 ILE A 38 -9.702 -3.855 5.683 1.00 0.00 C ATOM 582 CG2 ILE A 38 -10.217 -2.034 4.037 1.00 0.00 C ATOM 583 CD1 ILE A 38 -8.742 -3.653 6.835 1.00 0.00 C ATOM 0 H ILE A 38 -7.928 -5.271 4.524 1.00 0.00 H new ATOM 0 HA ILE A 38 -10.159 -4.640 3.098 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.272 -2.736 4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.685 -3.480 5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.811 -4.923 5.495 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.263 -1.323 4.862 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.862 -1.527 3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -11.211 -2.442 3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -9.118 -4.171 7.717 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.764 -4.054 6.568 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.651 -2.588 7.051 1.00 0.00 H new ATOM 595 N ALA A 39 -7.525 -2.976 1.949 1.00 0.00 N ATOM 596 CA ALA A 39 -7.002 -2.268 0.788 1.00 0.00 C ATOM 597 C ALA A 39 -7.172 -3.101 -0.479 1.00 0.00 C ATOM 598 O ALA A 39 -7.627 -2.600 -1.507 1.00 0.00 O ATOM 599 CB ALA A 39 -5.537 -1.919 1.000 1.00 0.00 C ATOM 0 H ALA A 39 -6.868 -3.060 2.724 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.569 -1.345 0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.159 -1.390 0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.438 -1.283 1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.963 -2.834 1.148 1.00 0.00 H new ATOM 605 N ALA A 40 -6.808 -4.378 -0.396 1.00 0.00 N ATOM 606 CA ALA A 40 -6.922 -5.282 -1.535 1.00 0.00 C ATOM 607 C ALA A 40 -8.327 -5.244 -2.126 1.00 0.00 C ATOM 608 O ALA A 40 -8.501 -5.003 -3.321 1.00 0.00 O ATOM 609 CB ALA A 40 -6.563 -6.701 -1.120 1.00 0.00 C ATOM 0 H ALA A 40 -6.432 -4.809 0.448 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.222 -4.950 -2.302 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.652 -7.365 -1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.538 -6.723 -0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.241 -7.033 -0.333 1.00 0.00 H new ATOM 615 N HIS A 41 -9.325 -5.481 -1.282 1.00 0.00 N ATOM 616 CA HIS A 41 -10.715 -5.473 -1.723 1.00 0.00 C ATOM 617 C HIS A 41 -11.097 -4.106 -2.279 1.00 0.00 C ATOM 618 O HIS A 41 -11.560 -3.993 -3.413 1.00 0.00 O ATOM 619 CB HIS A 41 -11.644 -5.840 -0.565 1.00 0.00 C ATOM 620 CG HIS A 41 -10.982 -6.658 0.499 1.00 0.00 C ATOM 621 ND1 HIS A 41 -11.212 -6.470 1.846 1.00 0.00 N ATOM 622 CD2 HIS A 41 -10.092 -7.675 0.410 1.00 0.00 C ATOM 623 CE1 HIS A 41 -10.493 -7.334 2.538 1.00 0.00 C ATOM 624 NE2 HIS A 41 -9.806 -8.077 1.691 1.00 0.00 N ATOM 0 H HIS A 41 -9.198 -5.681 -0.290 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.823 -6.215 -2.514 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.033 -4.925 -0.118 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -12.498 -6.392 -0.957 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -11.840 -5.772 2.245 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -9.684 -8.092 -0.499 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -10.471 -7.418 3.614 1.00 0.00 H new ATOM 633 N ILE A 42 -10.896 -3.069 -1.471 1.00 0.00 N ATOM 634 CA ILE A 42 -11.218 -1.709 -1.881 1.00 0.00 C ATOM 635 C ILE A 42 -10.741 -1.436 -3.303 1.00 0.00 C ATOM 636 O ILE A 42 -11.530 -1.063 -4.171 1.00 0.00 O ATOM 637 CB ILE A 42 -10.585 -0.674 -0.935 1.00 0.00 C ATOM 638 CG1 ILE A 42 -11.088 -0.881 0.495 1.00 0.00 C ATOM 639 CG2 ILE A 42 -10.894 0.737 -1.413 1.00 0.00 C ATOM 640 CD1 ILE A 42 -10.283 -0.128 1.532 1.00 0.00 C ATOM 0 H ILE A 42 -10.512 -3.146 -0.529 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.303 -1.615 -1.839 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.504 -0.811 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -12.129 -0.565 0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.064 -1.945 0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -10.440 1.459 -0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.490 0.878 -2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.974 0.886 -1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.695 -0.320 2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -9.246 -0.461 1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -10.328 0.941 1.322 1.00 0.00 H new ATOM 652 N LYS A 43 -9.446 -1.626 -3.534 1.00 0.00 N ATOM 653 CA LYS A 43 -8.865 -1.400 -4.852 1.00 0.00 C ATOM 654 C LYS A 43 -9.623 -2.183 -5.918 1.00 0.00 C ATOM 655 O LYS A 43 -10.309 -1.602 -6.760 1.00 0.00 O ATOM 656 CB LYS A 43 -7.390 -1.804 -4.859 1.00 0.00 C ATOM 657 CG LYS A 43 -6.791 -1.895 -6.253 1.00 0.00 C ATOM 658 CD LYS A 43 -6.738 -3.333 -6.746 1.00 0.00 C ATOM 659 CE LYS A 43 -5.403 -3.650 -7.399 1.00 0.00 C ATOM 660 NZ LYS A 43 -5.123 -5.113 -7.409 1.00 0.00 N ATOM 0 H LYS A 43 -8.780 -1.936 -2.826 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.943 -0.337 -5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.821 -1.081 -4.275 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.284 -2.769 -4.363 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.383 -1.294 -6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.785 -1.475 -6.246 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.905 -4.012 -5.910 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.543 -3.503 -7.461 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.400 -3.273 -8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.606 -3.131 -6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.237 -5.293 -7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.033 -5.456 -6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.904 -5.613 -7.880 1.00 0.00 H new ATOM 674 N LYS A 44 -9.496 -3.505 -5.875 1.00 0.00 N ATOM 675 CA LYS A 44 -10.170 -4.370 -6.837 1.00 0.00 C ATOM 676 C LYS A 44 -11.537 -3.806 -7.204 1.00 0.00 C ATOM 677 O LYS A 44 -11.846 -3.614 -8.381 1.00 0.00 O ATOM 678 CB LYS A 44 -10.322 -5.781 -6.265 1.00 0.00 C ATOM 679 CG LYS A 44 -10.443 -6.862 -7.329 1.00 0.00 C ATOM 680 CD LYS A 44 -11.894 -7.115 -7.704 1.00 0.00 C ATOM 681 CE LYS A 44 -12.137 -8.578 -8.035 1.00 0.00 C ATOM 682 NZ LYS A 44 -12.732 -9.316 -6.886 1.00 0.00 N ATOM 0 H LYS A 44 -8.933 -4.001 -5.184 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.561 -4.417 -7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.463 -6.001 -5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.205 -5.812 -5.626 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.883 -6.565 -8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.994 -7.786 -6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.541 -6.815 -6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.162 -6.498 -8.561 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.802 -8.650 -8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.195 -9.047 -8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.882 -10.310 -7.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.087 -9.269 -6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.643 -8.885 -6.631 1.00 0.00 H new ATOM 696 N GLU A 45 -12.348 -3.540 -6.189 1.00 0.00 N ATOM 697 CA GLU A 45 -13.683 -2.994 -6.397 1.00 0.00 C ATOM 698 C GLU A 45 -13.630 -1.763 -7.294 1.00 0.00 C ATOM 699 O GLU A 45 -14.250 -1.728 -8.357 1.00 0.00 O ATOM 700 CB GLU A 45 -14.327 -2.634 -5.057 1.00 0.00 C ATOM 701 CG GLU A 45 -14.895 -3.833 -4.316 1.00 0.00 C ATOM 702 CD GLU A 45 -16.406 -3.787 -4.206 1.00 0.00 C ATOM 703 OE1 GLU A 45 -17.084 -4.047 -5.223 1.00 0.00 O ATOM 704 OE2 GLU A 45 -16.913 -3.490 -3.104 1.00 0.00 O ATOM 0 H GLU A 45 -12.104 -3.694 -5.211 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.288 -3.757 -6.888 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.585 -2.145 -4.426 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.125 -1.912 -5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.599 -4.747 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.463 -3.876 -3.316 1.00 0.00 H new ATOM 711 N PHE A 46 -12.883 -0.754 -6.858 1.00 0.00 N ATOM 712 CA PHE A 46 -12.747 0.479 -7.623 1.00 0.00 C ATOM 713 C PHE A 46 -12.326 0.182 -9.057 1.00 0.00 C ATOM 714 O PHE A 46 -12.920 0.693 -10.008 1.00 0.00 O ATOM 715 CB PHE A 46 -11.726 1.403 -6.959 1.00 0.00 C ATOM 716 CG PHE A 46 -12.350 2.482 -6.122 1.00 0.00 C ATOM 717 CD1 PHE A 46 -12.753 2.222 -4.822 1.00 0.00 C ATOM 718 CD2 PHE A 46 -12.534 3.756 -6.636 1.00 0.00 C ATOM 719 CE1 PHE A 46 -13.329 3.211 -4.050 1.00 0.00 C ATOM 720 CE2 PHE A 46 -13.110 4.749 -5.867 1.00 0.00 C ATOM 721 CZ PHE A 46 -13.507 4.477 -4.573 1.00 0.00 C ATOM 0 H PHE A 46 -12.364 -0.766 -5.980 1.00 0.00 H new ATOM 0 HA PHE A 46 -13.717 0.976 -7.644 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.062 0.807 -6.333 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.109 1.864 -7.730 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.615 1.234 -4.408 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -12.224 3.975 -7.647 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -13.640 2.995 -3.039 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -13.250 5.738 -6.278 1.00 0.00 H new ATOM 0 HZ PHE A 46 -13.956 5.253 -3.971 1.00 0.00 H new ATOM 731 N ASP A 47 -11.301 -0.649 -9.206 1.00 0.00 N ATOM 732 CA ASP A 47 -10.802 -1.017 -10.525 1.00 0.00 C ATOM 733 C ASP A 47 -11.883 -1.731 -11.329 1.00 0.00 C ATOM 734 O ASP A 47 -11.809 -1.811 -12.555 1.00 0.00 O ATOM 735 CB ASP A 47 -9.560 -1.906 -10.393 1.00 0.00 C ATOM 736 CG ASP A 47 -9.858 -3.373 -10.647 1.00 0.00 C ATOM 737 OD1 ASP A 47 -10.092 -3.736 -11.819 1.00 0.00 O ATOM 738 OD2 ASP A 47 -9.855 -4.155 -9.674 1.00 0.00 O ATOM 0 H ASP A 47 -10.799 -1.080 -8.430 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.526 -0.106 -11.056 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.800 -1.567 -11.097 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.142 -1.793 -9.393 1.00 0.00 H new ATOM 743 N LYS A 48 -12.889 -2.246 -10.633 1.00 0.00 N ATOM 744 CA LYS A 48 -13.985 -2.949 -11.283 1.00 0.00 C ATOM 745 C LYS A 48 -15.319 -2.279 -10.970 1.00 0.00 C ATOM 746 O LYS A 48 -16.384 -2.839 -11.228 1.00 0.00 O ATOM 747 CB LYS A 48 -14.017 -4.411 -10.838 1.00 0.00 C ATOM 748 CG LYS A 48 -13.310 -5.355 -11.798 1.00 0.00 C ATOM 749 CD LYS A 48 -14.267 -5.913 -12.839 1.00 0.00 C ATOM 750 CE LYS A 48 -14.877 -4.807 -13.684 1.00 0.00 C ATOM 751 NZ LYS A 48 -13.869 -4.169 -14.574 1.00 0.00 N ATOM 0 H LYS A 48 -12.967 -2.189 -9.618 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.822 -2.910 -12.360 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -13.554 -4.493 -9.854 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -15.055 -4.726 -10.730 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.497 -4.827 -12.296 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.861 -6.176 -11.238 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.737 -6.614 -13.483 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.060 -6.473 -12.343 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.687 -5.216 -14.288 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.315 -4.052 -13.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.872 -3.140 -14.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.925 -4.549 -14.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.105 -4.371 -15.567 1.00 0.00 H new ATOM 765 N LYS A 49 -15.248 -1.077 -10.407 1.00 0.00 N ATOM 766 CA LYS A 49 -16.444 -0.326 -10.053 1.00 0.00 C ATOM 767 C LYS A 49 -16.438 1.055 -10.703 1.00 0.00 C ATOM 768 O LYS A 49 -17.474 1.716 -10.785 1.00 0.00 O ATOM 769 CB LYS A 49 -16.552 -0.190 -8.533 1.00 0.00 C ATOM 770 CG LYS A 49 -17.961 0.104 -8.045 1.00 0.00 C ATOM 771 CD LYS A 49 -18.356 -0.811 -6.898 1.00 0.00 C ATOM 772 CE LYS A 49 -17.666 -0.413 -5.602 1.00 0.00 C ATOM 773 NZ LYS A 49 -18.534 0.448 -4.751 1.00 0.00 N ATOM 0 H LYS A 49 -14.372 -0.603 -10.186 1.00 0.00 H new ATOM 0 HA LYS A 49 -17.310 -0.874 -10.425 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.201 -1.112 -8.069 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.888 0.608 -8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.026 1.143 -7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.665 -0.018 -8.868 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.437 -0.778 -6.761 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.098 -1.840 -7.147 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.390 -1.310 -5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.742 0.117 -5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -18.027 0.697 -3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -18.777 1.316 -5.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.405 -0.067 -4.511 1.00 0.00 H new ATOM 787 N TYR A 50 -15.267 1.489 -11.164 1.00 0.00 N ATOM 788 CA TYR A 50 -15.135 2.794 -11.805 1.00 0.00 C ATOM 789 C TYR A 50 -14.197 2.727 -13.008 1.00 0.00 C ATOM 790 O TYR A 50 -14.569 3.104 -14.119 1.00 0.00 O ATOM 791 CB TYR A 50 -14.614 3.831 -10.808 1.00 0.00 C ATOM 792 CG TYR A 50 -15.338 3.828 -9.480 1.00 0.00 C ATOM 793 CD1 TYR A 50 -16.489 4.584 -9.292 1.00 0.00 C ATOM 794 CD2 TYR A 50 -14.865 3.075 -8.411 1.00 0.00 C ATOM 795 CE1 TYR A 50 -17.149 4.588 -8.077 1.00 0.00 C ATOM 796 CE2 TYR A 50 -15.520 3.076 -7.193 1.00 0.00 C ATOM 797 CZ TYR A 50 -16.660 3.833 -7.031 1.00 0.00 C ATOM 798 OH TYR A 50 -17.313 3.838 -5.820 1.00 0.00 O ATOM 0 H TYR A 50 -14.398 0.957 -11.106 1.00 0.00 H new ATOM 0 HA TYR A 50 -16.125 3.092 -12.152 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -13.554 3.650 -10.632 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -14.698 4.822 -11.254 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -16.874 5.178 -10.108 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.972 2.480 -8.534 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -18.043 5.179 -7.947 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -15.140 2.486 -6.372 1.00 0.00 H new ATOM 0 HH TYR A 50 -18.116 4.395 -5.884 1.00 0.00 H new ATOM 808 N ASN A 51 -12.977 2.247 -12.772 1.00 0.00 N ATOM 809 CA ASN A 51 -11.973 2.132 -13.822 1.00 0.00 C ATOM 810 C ASN A 51 -10.577 2.034 -13.212 1.00 0.00 C ATOM 811 O ASN A 51 -10.138 2.940 -12.504 1.00 0.00 O ATOM 812 CB ASN A 51 -12.039 3.329 -14.772 1.00 0.00 C ATOM 813 CG ASN A 51 -12.013 2.910 -16.228 1.00 0.00 C ATOM 814 OD1 ASN A 51 -12.421 1.802 -16.575 1.00 0.00 O ATOM 815 ND2 ASN A 51 -11.531 3.797 -17.091 1.00 0.00 N ATOM 0 H ASN A 51 -12.661 1.930 -11.855 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.180 1.225 -14.390 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -12.949 3.896 -14.576 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.199 3.995 -14.573 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.489 3.571 -18.085 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.203 4.704 -16.760 1.00 0.00 H new ATOM 822 N PRO A 52 -9.859 0.929 -13.474 1.00 0.00 N ATOM 823 CA PRO A 52 -8.510 0.723 -12.941 1.00 0.00 C ATOM 824 C PRO A 52 -7.495 1.709 -13.528 1.00 0.00 C ATOM 825 O PRO A 52 -7.789 2.386 -14.514 1.00 0.00 O ATOM 826 CB PRO A 52 -8.171 -0.711 -13.357 1.00 0.00 C ATOM 827 CG PRO A 52 -9.040 -0.981 -14.536 1.00 0.00 C ATOM 828 CD PRO A 52 -10.304 -0.202 -14.305 1.00 0.00 C ATOM 0 HA PRO A 52 -8.471 0.884 -11.864 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.116 -0.810 -13.612 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.371 -1.415 -12.549 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.553 -0.669 -15.460 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.250 -2.046 -14.630 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.744 0.137 -15.243 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.059 -0.802 -13.797 1.00 0.00 H new ATOM 836 N THR A 53 -6.297 1.800 -12.927 1.00 0.00 N ATOM 837 CA THR A 53 -5.935 1.002 -11.756 1.00 0.00 C ATOM 838 C THR A 53 -5.918 1.863 -10.500 1.00 0.00 C ATOM 839 O THR A 53 -5.286 2.920 -10.468 1.00 0.00 O ATOM 840 CB THR A 53 -4.572 0.339 -11.962 1.00 0.00 C ATOM 841 OG1 THR A 53 -4.682 -0.772 -12.835 1.00 0.00 O ATOM 842 CG2 THR A 53 -3.942 -0.151 -10.676 1.00 0.00 C ATOM 0 H THR A 53 -5.558 2.428 -13.242 1.00 0.00 H new ATOM 0 HA THR A 53 -6.687 0.223 -11.629 1.00 0.00 H new ATOM 0 HB THR A 53 -3.936 1.116 -12.386 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.800 -1.182 -12.956 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.978 -0.610 -10.895 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.798 0.690 -9.998 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.596 -0.886 -10.208 1.00 0.00 H new ATOM 850 N TRP A 54 -6.622 1.408 -9.473 1.00 0.00 N ATOM 851 CA TRP A 54 -6.698 2.141 -8.215 1.00 0.00 C ATOM 852 C TRP A 54 -5.660 1.653 -7.210 1.00 0.00 C ATOM 853 O TRP A 54 -5.630 0.476 -6.851 1.00 0.00 O ATOM 854 CB TRP A 54 -8.096 2.011 -7.610 1.00 0.00 C ATOM 855 CG TRP A 54 -9.182 2.497 -8.516 1.00 0.00 C ATOM 856 CD1 TRP A 54 -9.700 1.846 -9.598 1.00 0.00 C ATOM 857 CD2 TRP A 54 -9.881 3.741 -8.421 1.00 0.00 C ATOM 858 NE1 TRP A 54 -10.680 2.611 -10.182 1.00 0.00 N ATOM 859 CE2 TRP A 54 -10.812 3.778 -9.477 1.00 0.00 C ATOM 860 CE3 TRP A 54 -9.812 4.828 -7.546 1.00 0.00 C ATOM 861 CZ2 TRP A 54 -11.666 4.860 -9.678 1.00 0.00 C ATOM 862 CZ3 TRP A 54 -10.659 5.899 -7.748 1.00 0.00 C ATOM 863 CH2 TRP A 54 -11.575 5.910 -8.806 1.00 0.00 C ATOM 0 H TRP A 54 -7.149 0.535 -9.485 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.489 3.188 -8.436 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.281 0.966 -7.362 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -8.134 2.572 -6.676 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -9.386 0.872 -9.944 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -11.222 2.352 -11.007 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -9.109 4.830 -6.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -12.375 4.870 -10.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -10.614 6.744 -7.077 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -12.223 6.764 -8.937 1.00 0.00 H new ATOM 874 N HIS A 55 -4.829 2.577 -6.741 1.00 0.00 N ATOM 875 CA HIS A 55 -3.806 2.265 -5.753 1.00 0.00 C ATOM 876 C HIS A 55 -4.225 2.846 -4.409 1.00 0.00 C ATOM 877 O HIS A 55 -4.054 4.038 -4.159 1.00 0.00 O ATOM 878 CB HIS A 55 -2.453 2.836 -6.182 1.00 0.00 C ATOM 879 CG HIS A 55 -2.174 2.691 -7.648 1.00 0.00 C ATOM 880 ND1 HIS A 55 -3.161 2.481 -8.588 1.00 0.00 N ATOM 881 CD2 HIS A 55 -1.007 2.730 -8.333 1.00 0.00 C ATOM 882 CE1 HIS A 55 -2.613 2.399 -9.788 1.00 0.00 C ATOM 883 NE2 HIS A 55 -1.308 2.547 -9.660 1.00 0.00 N ATOM 0 H HIS A 55 -4.845 3.554 -7.032 1.00 0.00 H new ATOM 0 HA HIS A 55 -3.702 1.183 -5.668 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.414 3.893 -5.917 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -1.664 2.337 -5.620 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.023 2.878 -7.914 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -3.143 2.238 -10.715 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -0.632 2.528 -10.424 1.00 0.00 H new ATOM 892 N CYS A 56 -4.812 2.008 -3.563 1.00 0.00 N ATOM 893 CA CYS A 56 -5.297 2.462 -2.266 1.00 0.00 C ATOM 894 C CYS A 56 -4.591 1.781 -1.101 1.00 0.00 C ATOM 895 O CYS A 56 -3.974 0.727 -1.251 1.00 0.00 O ATOM 896 CB CYS A 56 -6.799 2.205 -2.164 1.00 0.00 C ATOM 897 SG CYS A 56 -7.261 0.464 -2.316 1.00 0.00 S ATOM 0 H CYS A 56 -4.963 1.017 -3.750 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.082 3.528 -2.199 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.157 2.583 -1.206 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.308 2.774 -2.942 1.00 0.00 H new ATOM 0 HG CYS A 56 -7.471 -0.034 -1.134 1.00 0.00 H new ATOM 903 N ILE A 57 -4.718 2.399 0.069 1.00 0.00 N ATOM 904 CA ILE A 57 -4.130 1.878 1.298 1.00 0.00 C ATOM 905 C ILE A 57 -5.182 1.830 2.400 1.00 0.00 C ATOM 906 O ILE A 57 -6.267 2.391 2.254 1.00 0.00 O ATOM 907 CB ILE A 57 -2.946 2.739 1.778 1.00 0.00 C ATOM 908 CG1 ILE A 57 -2.031 3.094 0.605 1.00 0.00 C ATOM 909 CG2 ILE A 57 -2.167 2.012 2.870 1.00 0.00 C ATOM 910 CD1 ILE A 57 -1.377 1.894 -0.039 1.00 0.00 C ATOM 0 H ILE A 57 -5.230 3.273 0.192 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.762 0.875 1.080 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.339 3.666 2.197 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.611 3.629 -0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.256 3.776 0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.334 2.634 3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.826 1.812 3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.784 1.070 2.478 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.743 2.223 -0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.770 1.371 0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.146 1.221 -0.419 1.00 0.00 H new ATOM 922 N VAL A 58 -4.862 1.163 3.502 1.00 0.00 N ATOM 923 CA VAL A 58 -5.793 1.057 4.618 1.00 0.00 C ATOM 924 C VAL A 58 -5.094 0.578 5.884 1.00 0.00 C ATOM 925 O VAL A 58 -4.676 -0.575 5.977 1.00 0.00 O ATOM 926 CB VAL A 58 -6.952 0.100 4.295 1.00 0.00 C ATOM 927 CG1 VAL A 58 -6.417 -1.256 3.872 1.00 0.00 C ATOM 928 CG2 VAL A 58 -7.883 -0.033 5.490 1.00 0.00 C ATOM 0 H VAL A 58 -3.970 0.690 3.647 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.191 2.058 4.786 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.524 0.515 3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.250 -1.922 3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.795 -1.141 2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.822 -1.680 4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.697 -0.714 5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.328 -0.425 6.342 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.292 0.945 5.743 1.00 0.00 H new ATOM 938 N GLY A 59 -4.979 1.473 6.860 1.00 0.00 N ATOM 939 CA GLY A 59 -4.337 1.129 8.111 1.00 0.00 C ATOM 940 C GLY A 59 -4.957 1.849 9.289 1.00 0.00 C ATOM 941 O GLY A 59 -6.173 1.809 9.479 1.00 0.00 O ATOM 0 H GLY A 59 -5.321 2.432 6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.405 0.053 8.268 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.277 1.376 8.053 1.00 0.00 H new ATOM 945 N ARG A 60 -4.123 2.505 10.086 1.00 0.00 N ATOM 946 CA ARG A 60 -4.597 3.228 11.249 1.00 0.00 C ATOM 947 C ARG A 60 -3.511 4.143 11.808 1.00 0.00 C ATOM 948 O ARG A 60 -3.794 5.251 12.265 1.00 0.00 O ATOM 949 CB ARG A 60 -5.039 2.234 12.312 1.00 0.00 C ATOM 950 CG ARG A 60 -4.257 0.933 12.274 1.00 0.00 C ATOM 951 CD ARG A 60 -5.169 -0.263 12.062 1.00 0.00 C ATOM 952 NE ARG A 60 -4.590 -1.488 12.602 1.00 0.00 N ATOM 953 CZ ARG A 60 -4.182 -1.615 13.860 1.00 0.00 C ATOM 954 NH1 ARG A 60 -4.305 -0.599 14.704 1.00 0.00 N ATOM 955 NH2 ARG A 60 -3.651 -2.755 14.277 1.00 0.00 N ATOM 0 H ARG A 60 -3.114 2.548 9.944 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.441 3.851 10.953 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.927 2.690 13.296 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.099 2.018 12.180 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.519 0.975 11.473 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.707 0.811 13.207 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.131 -0.075 12.538 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.360 -0.390 10.996 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.493 -2.291 11.980 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.713 0.281 14.387 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.992 -0.697 15.670 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.554 -3.539 13.631 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.339 -2.849 15.244 1.00 0.00 H new ATOM 969 N ASN A 61 -2.269 3.671 11.776 1.00 0.00 N ATOM 970 CA ASN A 61 -1.145 4.446 12.285 1.00 0.00 C ATOM 971 C ASN A 61 0.081 4.297 11.388 1.00 0.00 C ATOM 972 O ASN A 61 1.169 3.967 11.861 1.00 0.00 O ATOM 973 CB ASN A 61 -0.802 4.004 13.710 1.00 0.00 C ATOM 974 CG ASN A 61 -1.096 5.080 14.736 1.00 0.00 C ATOM 975 OD1 ASN A 61 -2.106 5.777 14.650 1.00 0.00 O ATOM 976 ND2 ASN A 61 -0.210 5.219 15.715 1.00 0.00 N ATOM 0 H ASN A 61 -2.016 2.756 11.403 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.438 5.496 12.292 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.370 3.107 13.956 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.254 3.737 13.760 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.353 5.926 16.436 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.614 4.618 15.746 1.00 0.00 H new ATOM 983 N PHE A 62 -0.099 4.544 10.095 1.00 0.00 N ATOM 984 CA PHE A 62 0.997 4.438 9.139 1.00 0.00 C ATOM 985 C PHE A 62 1.402 5.816 8.626 1.00 0.00 C ATOM 986 O PHE A 62 0.701 6.803 8.846 1.00 0.00 O ATOM 987 CB PHE A 62 0.592 3.545 7.967 1.00 0.00 C ATOM 988 CG PHE A 62 -0.451 4.159 7.077 1.00 0.00 C ATOM 989 CD1 PHE A 62 -1.622 4.672 7.612 1.00 0.00 C ATOM 990 CD2 PHE A 62 -0.261 4.221 5.707 1.00 0.00 C ATOM 991 CE1 PHE A 62 -2.584 5.236 6.796 1.00 0.00 C ATOM 992 CE2 PHE A 62 -1.219 4.784 4.885 1.00 0.00 C ATOM 993 CZ PHE A 62 -2.383 5.292 5.431 1.00 0.00 C ATOM 0 H PHE A 62 -0.992 4.819 9.685 1.00 0.00 H new ATOM 0 HA PHE A 62 1.851 3.992 9.648 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.476 3.316 7.372 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.215 2.599 8.355 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.785 4.630 8.679 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.646 3.825 5.276 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.492 5.633 7.225 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.058 4.827 3.818 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.134 5.732 4.791 1.00 0.00 H new ATOM 1003 N GLY A 63 2.537 5.872 7.937 1.00 0.00 N ATOM 1004 CA GLY A 63 3.017 7.129 7.396 1.00 0.00 C ATOM 1005 C GLY A 63 3.037 7.123 5.883 1.00 0.00 C ATOM 1006 O GLY A 63 4.080 6.895 5.269 1.00 0.00 O ATOM 0 H GLY A 63 3.133 5.067 7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.381 7.942 7.747 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.021 7.326 7.771 1.00 0.00 H new ATOM 1010 N SER A 64 1.880 7.366 5.280 1.00 0.00 N ATOM 1011 CA SER A 64 1.763 7.377 3.827 1.00 0.00 C ATOM 1012 C SER A 64 2.341 8.656 3.230 1.00 0.00 C ATOM 1013 O SER A 64 2.124 9.751 3.748 1.00 0.00 O ATOM 1014 CB SER A 64 0.297 7.227 3.414 1.00 0.00 C ATOM 1015 OG SER A 64 -0.566 7.806 4.378 1.00 0.00 O ATOM 0 H SER A 64 1.009 7.558 5.775 1.00 0.00 H new ATOM 0 HA SER A 64 2.336 6.534 3.441 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.138 7.703 2.446 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.056 6.171 3.293 1.00 0.00 H new ATOM 0 HG SER A 64 -1.098 7.103 4.805 1.00 0.00 H new ATOM 1021 N TYR A 65 3.068 8.504 2.129 1.00 0.00 N ATOM 1022 CA TYR A 65 3.675 9.637 1.441 1.00 0.00 C ATOM 1023 C TYR A 65 3.811 9.344 -0.048 1.00 0.00 C ATOM 1024 O TYR A 65 4.921 9.232 -0.573 1.00 0.00 O ATOM 1025 CB TYR A 65 5.045 9.962 2.039 1.00 0.00 C ATOM 1026 CG TYR A 65 5.464 11.400 1.834 1.00 0.00 C ATOM 1027 CD1 TYR A 65 4.875 12.425 2.563 1.00 0.00 C ATOM 1028 CD2 TYR A 65 6.447 11.733 0.910 1.00 0.00 C ATOM 1029 CE1 TYR A 65 5.253 13.741 2.378 1.00 0.00 C ATOM 1030 CE2 TYR A 65 6.831 13.048 0.720 1.00 0.00 C ATOM 1031 CZ TYR A 65 6.231 14.047 1.456 1.00 0.00 C ATOM 1032 OH TYR A 65 6.610 15.356 1.268 1.00 0.00 O ATOM 0 H TYR A 65 3.252 7.601 1.692 1.00 0.00 H new ATOM 0 HA TYR A 65 3.025 10.502 1.572 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.028 9.745 3.107 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.793 9.306 1.593 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.109 12.189 3.287 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.919 10.953 0.331 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.785 14.526 2.953 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.597 13.291 -0.001 1.00 0.00 H new ATOM 0 HH TYR A 65 7.311 15.399 0.584 1.00 0.00 H new ATOM 1042 N VAL A 66 2.675 9.211 -0.722 1.00 0.00 N ATOM 1043 CA VAL A 66 2.660 8.922 -2.149 1.00 0.00 C ATOM 1044 C VAL A 66 2.108 10.100 -2.944 1.00 0.00 C ATOM 1045 O VAL A 66 1.443 10.977 -2.392 1.00 0.00 O ATOM 1046 CB VAL A 66 1.817 7.671 -2.457 1.00 0.00 C ATOM 1047 CG1 VAL A 66 2.462 6.431 -1.859 1.00 0.00 C ATOM 1048 CG2 VAL A 66 0.399 7.845 -1.936 1.00 0.00 C ATOM 0 H VAL A 66 1.750 9.299 -0.301 1.00 0.00 H new ATOM 0 HA VAL A 66 3.693 8.740 -2.446 1.00 0.00 H new ATOM 0 HB VAL A 66 1.772 7.542 -3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.852 5.557 -2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.458 6.299 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.540 6.547 -0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.184 6.952 -2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.424 7.999 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.061 8.709 -2.415 1.00 0.00 H new ATOM 1058 N THR A 67 2.387 10.113 -4.243 1.00 0.00 N ATOM 1059 CA THR A 67 1.917 11.183 -5.115 1.00 0.00 C ATOM 1060 C THR A 67 0.472 10.945 -5.540 1.00 0.00 C ATOM 1061 O THR A 67 -0.315 10.354 -4.802 1.00 0.00 O ATOM 1062 CB THR A 67 2.809 11.293 -6.351 1.00 0.00 C ATOM 1063 OG1 THR A 67 2.689 12.573 -6.945 1.00 0.00 O ATOM 1064 CG2 THR A 67 2.486 10.263 -7.409 1.00 0.00 C ATOM 0 H THR A 67 2.936 9.395 -4.715 1.00 0.00 H new ATOM 0 HA THR A 67 1.965 12.117 -4.556 1.00 0.00 H new ATOM 0 HB THR A 67 3.824 11.120 -5.994 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.269 12.623 -7.733 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.154 10.394 -8.260 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.617 9.263 -6.995 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.454 10.388 -7.735 1.00 0.00 H new ATOM 1072 N HIS A 68 0.133 11.410 -6.738 1.00 0.00 N ATOM 1073 CA HIS A 68 -1.216 11.248 -7.269 1.00 0.00 C ATOM 1074 C HIS A 68 -1.331 11.881 -8.651 1.00 0.00 C ATOM 1075 O HIS A 68 -0.507 12.712 -9.034 1.00 0.00 O ATOM 1076 CB HIS A 68 -2.241 11.869 -6.316 1.00 0.00 C ATOM 1077 CG HIS A 68 -2.393 13.350 -6.476 1.00 0.00 C ATOM 1078 ND1 HIS A 68 -1.909 14.260 -5.559 1.00 0.00 N ATOM 1079 CD2 HIS A 68 -2.983 14.080 -7.453 1.00 0.00 C ATOM 1080 CE1 HIS A 68 -2.194 15.485 -5.965 1.00 0.00 C ATOM 1081 NE2 HIS A 68 -2.845 15.402 -7.111 1.00 0.00 N ATOM 0 H HIS A 68 0.774 11.902 -7.360 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.422 10.182 -7.360 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.209 11.394 -6.478 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.947 11.652 -5.289 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.471 13.694 -8.336 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.938 16.398 -5.448 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -3.190 16.193 -7.655 1.00 0.00 H new ATOM 1090 N GLU A 69 -2.355 11.482 -9.399 1.00 0.00 N ATOM 1091 CA GLU A 69 -2.570 12.013 -10.739 1.00 0.00 C ATOM 1092 C GLU A 69 -4.001 11.765 -11.203 1.00 0.00 C ATOM 1093 O GLU A 69 -4.725 10.960 -10.618 1.00 0.00 O ATOM 1094 CB GLU A 69 -1.586 11.378 -11.724 1.00 0.00 C ATOM 1095 CG GLU A 69 -1.490 9.866 -11.600 1.00 0.00 C ATOM 1096 CD GLU A 69 -0.494 9.262 -12.570 1.00 0.00 C ATOM 1097 OE1 GLU A 69 -0.774 9.263 -13.788 1.00 0.00 O ATOM 1098 OE2 GLU A 69 0.568 8.787 -12.112 1.00 0.00 O ATOM 0 H GLU A 69 -3.047 10.795 -9.100 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.401 13.089 -10.706 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.887 11.632 -12.740 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.598 11.810 -11.567 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.202 9.607 -10.581 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.473 9.428 -11.775 1.00 0.00 H new ATOM 1105 N THR A 70 -4.400 12.463 -12.262 1.00 0.00 N ATOM 1106 CA THR A 70 -5.744 12.318 -12.810 1.00 0.00 C ATOM 1107 C THR A 70 -6.791 12.880 -11.854 1.00 0.00 C ATOM 1108 O THR A 70 -7.092 14.073 -11.880 1.00 0.00 O ATOM 1109 CB THR A 70 -6.042 10.848 -13.103 1.00 0.00 C ATOM 1110 OG1 THR A 70 -4.957 10.243 -13.784 1.00 0.00 O ATOM 1111 CG2 THR A 70 -7.284 10.643 -13.943 1.00 0.00 C ATOM 0 H THR A 70 -3.812 13.134 -12.757 1.00 0.00 H new ATOM 0 HA THR A 70 -5.790 12.885 -13.740 1.00 0.00 H new ATOM 0 HB THR A 70 -6.204 10.387 -12.129 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.166 9.302 -13.961 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.436 9.577 -14.113 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.148 11.054 -13.421 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.163 11.150 -14.901 1.00 0.00 H new ATOM 1119 N LYS A 71 -7.345 12.011 -11.014 1.00 0.00 N ATOM 1120 CA LYS A 71 -8.363 12.421 -10.053 1.00 0.00 C ATOM 1121 C LYS A 71 -9.032 11.207 -9.420 1.00 0.00 C ATOM 1122 O LYS A 71 -10.216 10.952 -9.643 1.00 0.00 O ATOM 1123 CB LYS A 71 -9.414 13.294 -10.739 1.00 0.00 C ATOM 1124 CG LYS A 71 -9.951 12.694 -12.029 1.00 0.00 C ATOM 1125 CD LYS A 71 -11.439 12.956 -12.192 1.00 0.00 C ATOM 1126 CE LYS A 71 -12.268 11.765 -11.736 1.00 0.00 C ATOM 1127 NZ LYS A 71 -12.857 11.024 -12.886 1.00 0.00 N ATOM 0 H LYS A 71 -7.106 11.020 -10.979 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.876 12.997 -9.266 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.243 13.459 -10.051 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.980 14.270 -10.955 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.412 13.114 -12.878 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.768 11.620 -12.035 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.719 13.838 -11.616 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.659 13.175 -13.237 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.643 11.090 -11.152 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.067 12.109 -11.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.414 10.220 -12.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.474 11.661 -13.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.095 10.673 -13.500 1.00 0.00 H new ATOM 1141 N HIS A 72 -8.268 10.461 -8.631 1.00 0.00 N ATOM 1142 CA HIS A 72 -8.789 9.274 -7.968 1.00 0.00 C ATOM 1143 C HIS A 72 -7.993 8.965 -6.703 1.00 0.00 C ATOM 1144 O HIS A 72 -8.067 7.861 -6.166 1.00 0.00 O ATOM 1145 CB HIS A 72 -8.750 8.075 -8.917 1.00 0.00 C ATOM 1146 CG HIS A 72 -9.650 8.224 -10.104 1.00 0.00 C ATOM 1147 ND1 HIS A 72 -11.025 8.283 -10.005 1.00 0.00 N ATOM 1148 CD2 HIS A 72 -9.367 8.323 -11.425 1.00 0.00 C ATOM 1149 CE1 HIS A 72 -11.547 8.410 -11.212 1.00 0.00 C ATOM 1150 NE2 HIS A 72 -10.562 8.438 -12.090 1.00 0.00 N ATOM 0 H HIS A 72 -7.286 10.658 -8.435 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.823 9.470 -7.686 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.727 7.928 -9.263 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.032 7.177 -8.367 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -11.556 8.236 -9.135 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.384 8.313 -11.872 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.600 8.479 -11.441 1.00 0.00 H new ATOM 1159 N PHE A 73 -7.238 9.951 -6.231 1.00 0.00 N ATOM 1160 CA PHE A 73 -6.433 9.786 -5.027 1.00 0.00 C ATOM 1161 C PHE A 73 -7.145 10.398 -3.824 1.00 0.00 C ATOM 1162 O PHE A 73 -7.129 11.613 -3.636 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.055 10.434 -5.215 1.00 0.00 C ATOM 1164 CG PHE A 73 -4.380 10.820 -3.926 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -3.955 9.849 -3.033 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -4.174 12.154 -3.609 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -3.336 10.201 -1.848 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -3.557 12.511 -2.425 1.00 0.00 C ATOM 1169 CZ PHE A 73 -3.137 11.533 -1.544 1.00 0.00 C ATOM 0 H PHE A 73 -7.167 10.872 -6.664 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.296 8.720 -4.845 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.411 9.743 -5.758 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.164 11.323 -5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.109 8.806 -3.265 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.499 12.922 -4.295 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.008 9.435 -1.161 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.403 13.554 -2.189 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.654 11.810 -0.619 1.00 0.00 H new ATOM 1179 N ILE A 74 -7.771 9.552 -3.015 1.00 0.00 N ATOM 1180 CA ILE A 74 -8.486 10.022 -1.837 1.00 0.00 C ATOM 1181 C ILE A 74 -7.976 9.352 -0.567 1.00 0.00 C ATOM 1182 O ILE A 74 -8.059 8.133 -0.417 1.00 0.00 O ATOM 1183 CB ILE A 74 -10.000 9.766 -1.957 1.00 0.00 C ATOM 1184 CG1 ILE A 74 -10.751 10.613 -0.905 1.00 0.00 C ATOM 1185 CG2 ILE A 74 -10.286 8.271 -1.822 1.00 0.00 C ATOM 1186 CD1 ILE A 74 -11.958 9.948 -0.268 1.00 0.00 C ATOM 0 H ILE A 74 -7.798 8.542 -3.153 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.304 11.095 -1.775 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.359 10.072 -2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -10.050 10.885 -0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -11.076 11.541 -1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.359 8.097 -1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.766 7.728 -2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.938 7.920 -0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -12.410 10.629 0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -12.687 9.701 -1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -11.645 9.036 0.240 1.00 0.00 H new ATOM 1198 N TYR A 75 -7.459 10.160 0.352 1.00 0.00 N ATOM 1199 CA TYR A 75 -6.948 9.651 1.618 1.00 0.00 C ATOM 1200 C TYR A 75 -7.825 10.131 2.768 1.00 0.00 C ATOM 1201 O TYR A 75 -8.205 11.301 2.823 1.00 0.00 O ATOM 1202 CB TYR A 75 -5.503 10.103 1.835 1.00 0.00 C ATOM 1203 CG TYR A 75 -4.947 9.722 3.188 1.00 0.00 C ATOM 1204 CD1 TYR A 75 -4.648 8.398 3.490 1.00 0.00 C ATOM 1205 CD2 TYR A 75 -4.722 10.684 4.164 1.00 0.00 C ATOM 1206 CE1 TYR A 75 -4.139 8.045 4.726 1.00 0.00 C ATOM 1207 CE2 TYR A 75 -4.213 10.338 5.402 1.00 0.00 C ATOM 1208 CZ TYR A 75 -3.925 9.019 5.678 1.00 0.00 C ATOM 1209 OH TYR A 75 -3.419 8.673 6.909 1.00 0.00 O ATOM 0 H TYR A 75 -7.383 11.171 0.243 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.969 8.562 1.587 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -4.874 9.668 1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -5.449 11.186 1.721 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.816 7.633 2.747 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.948 11.719 3.953 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.910 7.012 4.944 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.042 11.098 6.150 1.00 0.00 H new ATOM 0 HH TYR A 75 -3.179 7.723 6.909 1.00 0.00 H new ATOM 1219 N PHE A 76 -8.155 9.224 3.679 1.00 0.00 N ATOM 1220 CA PHE A 76 -8.999 9.565 4.818 1.00 0.00 C ATOM 1221 C PHE A 76 -8.667 8.701 6.028 1.00 0.00 C ATOM 1222 O PHE A 76 -7.829 7.803 5.952 1.00 0.00 O ATOM 1223 CB PHE A 76 -10.472 9.391 4.452 1.00 0.00 C ATOM 1224 CG PHE A 76 -10.716 8.262 3.492 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -10.228 8.319 2.197 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -11.430 7.142 3.888 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -10.448 7.280 1.313 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -11.652 6.100 3.009 1.00 0.00 C ATOM 1229 CZ PHE A 76 -11.160 6.169 1.720 1.00 0.00 C ATOM 0 H PHE A 76 -7.853 8.250 3.652 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.808 10.607 5.076 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.047 9.216 5.361 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.842 10.318 4.014 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.669 9.185 1.875 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.817 7.083 4.895 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.064 7.337 0.305 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.210 5.232 3.329 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.332 5.355 1.031 1.00 0.00 H new ATOM 1239 N TYR A 77 -9.333 8.982 7.141 1.00 0.00 N ATOM 1240 CA TYR A 77 -9.113 8.232 8.372 1.00 0.00 C ATOM 1241 C TYR A 77 -10.437 7.811 9.006 1.00 0.00 C ATOM 1242 O TYR A 77 -11.087 8.602 9.690 1.00 0.00 O ATOM 1243 CB TYR A 77 -8.309 9.072 9.365 1.00 0.00 C ATOM 1244 CG TYR A 77 -8.199 8.449 10.738 1.00 0.00 C ATOM 1245 CD1 TYR A 77 -9.280 8.447 11.611 1.00 0.00 C ATOM 1246 CD2 TYR A 77 -7.013 7.863 11.163 1.00 0.00 C ATOM 1247 CE1 TYR A 77 -9.182 7.879 12.868 1.00 0.00 C ATOM 1248 CE2 TYR A 77 -6.907 7.292 12.417 1.00 0.00 C ATOM 1249 CZ TYR A 77 -7.994 7.304 13.265 1.00 0.00 C ATOM 1250 OH TYR A 77 -7.892 6.738 14.515 1.00 0.00 O ATOM 0 H TYR A 77 -10.030 9.723 7.217 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.551 7.332 8.120 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.307 9.230 8.966 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.774 10.054 9.457 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.212 8.897 11.303 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.159 7.854 10.502 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.032 7.886 13.535 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.978 6.839 12.731 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.990 6.376 14.638 1.00 0.00 H new ATOM 1260 N LEU A 78 -10.829 6.559 8.783 1.00 0.00 N ATOM 1261 CA LEU A 78 -12.072 6.040 9.346 1.00 0.00 C ATOM 1262 C LEU A 78 -11.985 5.992 10.867 1.00 0.00 C ATOM 1263 O LEU A 78 -10.999 6.438 11.455 1.00 0.00 O ATOM 1264 CB LEU A 78 -12.366 4.636 8.808 1.00 0.00 C ATOM 1265 CG LEU A 78 -12.811 4.565 7.346 1.00 0.00 C ATOM 1266 CD1 LEU A 78 -14.241 5.064 7.196 1.00 0.00 C ATOM 1267 CD2 LEU A 78 -11.866 5.363 6.460 1.00 0.00 C ATOM 0 H LEU A 78 -10.307 5.888 8.219 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.881 6.709 9.051 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.470 4.027 8.926 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.142 4.185 9.427 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.779 3.523 7.027 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.539 5.006 6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.907 4.446 7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.303 6.099 7.534 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.199 5.301 5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.863 6.406 6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.858 4.955 6.543 1.00 0.00 H new ATOM 1279 N GLY A 79 -13.014 5.438 11.500 1.00 0.00 N ATOM 1280 CA GLY A 79 -13.021 5.334 12.948 1.00 0.00 C ATOM 1281 C GLY A 79 -11.856 4.511 13.466 1.00 0.00 C ATOM 1282 O GLY A 79 -11.988 3.307 13.689 1.00 0.00 O ATOM 0 H GLY A 79 -13.841 5.060 11.038 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.981 6.333 13.383 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.958 4.882 13.274 1.00 0.00 H new ATOM 1286 N GLN A 80 -10.711 5.163 13.651 1.00 0.00 N ATOM 1287 CA GLN A 80 -9.510 4.491 14.138 1.00 0.00 C ATOM 1288 C GLN A 80 -8.777 3.797 12.993 1.00 0.00 C ATOM 1289 O GLN A 80 -7.870 2.994 13.219 1.00 0.00 O ATOM 1290 CB GLN A 80 -9.865 3.476 15.227 1.00 0.00 C ATOM 1291 CG GLN A 80 -8.695 3.118 16.130 1.00 0.00 C ATOM 1292 CD GLN A 80 -9.134 2.748 17.534 1.00 0.00 C ATOM 1293 OE1 GLN A 80 -9.179 1.572 17.891 1.00 0.00 O ATOM 1294 NE2 GLN A 80 -9.459 3.755 18.337 1.00 0.00 N ATOM 0 H GLN A 80 -10.590 6.160 13.470 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.850 5.246 14.565 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.674 3.878 15.837 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.241 2.568 14.757 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.146 2.284 15.693 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.007 3.962 16.179 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.407 4.715 17.997 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.761 3.568 19.293 1.00 0.00 H new ATOM 1303 N VAL A 81 -9.175 4.116 11.765 1.00 0.00 N ATOM 1304 CA VAL A 81 -8.559 3.527 10.579 1.00 0.00 C ATOM 1305 C VAL A 81 -8.300 4.592 9.515 1.00 0.00 C ATOM 1306 O VAL A 81 -8.705 5.743 9.668 1.00 0.00 O ATOM 1307 CB VAL A 81 -9.444 2.417 9.982 1.00 0.00 C ATOM 1308 CG1 VAL A 81 -8.799 1.819 8.740 1.00 0.00 C ATOM 1309 CG2 VAL A 81 -9.716 1.335 11.017 1.00 0.00 C ATOM 0 H VAL A 81 -9.923 4.780 11.564 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.610 3.091 10.891 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.395 2.862 9.690 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.443 1.037 8.336 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.661 2.598 7.991 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.831 1.392 9.002 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.343 0.560 10.577 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.772 0.897 11.343 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -10.228 1.772 11.874 1.00 0.00 H new ATOM 1319 N ALA A 82 -7.621 4.203 8.439 1.00 0.00 N ATOM 1320 CA ALA A 82 -7.310 5.132 7.358 1.00 0.00 C ATOM 1321 C ALA A 82 -7.251 4.413 6.015 1.00 0.00 C ATOM 1322 O ALA A 82 -6.991 3.211 5.953 1.00 0.00 O ATOM 1323 CB ALA A 82 -5.995 5.845 7.637 1.00 0.00 C ATOM 0 H ALA A 82 -7.277 3.254 8.293 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.108 5.873 7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.775 6.535 6.822 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.073 6.400 8.572 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.193 5.111 7.717 1.00 0.00 H new ATOM 1329 N ILE A 83 -7.496 5.156 4.942 1.00 0.00 N ATOM 1330 CA ILE A 83 -7.473 4.589 3.598 1.00 0.00 C ATOM 1331 C ILE A 83 -6.819 5.549 2.610 1.00 0.00 C ATOM 1332 O ILE A 83 -7.327 6.642 2.361 1.00 0.00 O ATOM 1333 CB ILE A 83 -8.894 4.254 3.103 1.00 0.00 C ATOM 1334 CG1 ILE A 83 -9.857 4.105 4.287 1.00 0.00 C ATOM 1335 CG2 ILE A 83 -8.876 2.988 2.257 1.00 0.00 C ATOM 1336 CD1 ILE A 83 -9.655 2.834 5.086 1.00 0.00 C ATOM 0 H ILE A 83 -7.713 6.152 4.976 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.889 3.670 3.653 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.247 5.077 2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.738 4.962 4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.881 4.130 3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.887 2.765 1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.225 3.136 1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.503 2.156 2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.373 2.801 5.906 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.804 1.970 4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.643 2.815 5.490 1.00 0.00 H new ATOM 1348 N LEU A 84 -5.690 5.132 2.045 1.00 0.00 N ATOM 1349 CA LEU A 84 -4.968 5.953 1.080 1.00 0.00 C ATOM 1350 C LEU A 84 -5.304 5.533 -0.346 1.00 0.00 C ATOM 1351 O LEU A 84 -4.606 4.715 -0.944 1.00 0.00 O ATOM 1352 CB LEU A 84 -3.459 5.846 1.316 1.00 0.00 C ATOM 1353 CG LEU A 84 -2.588 6.530 0.261 1.00 0.00 C ATOM 1354 CD1 LEU A 84 -2.498 8.023 0.533 1.00 0.00 C ATOM 1355 CD2 LEU A 84 -1.201 5.907 0.233 1.00 0.00 C ATOM 0 H LEU A 84 -5.255 4.230 2.239 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.276 6.990 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.228 6.276 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.188 4.791 1.361 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.050 6.386 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.875 8.494 -0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.497 8.459 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.058 8.188 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.594 6.405 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.731 6.022 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.283 4.847 -0.008 1.00 0.00 H new ATOM 1367 N LEU A 85 -6.381 6.096 -0.885 1.00 0.00 N ATOM 1368 CA LEU A 85 -6.814 5.777 -2.239 1.00 0.00 C ATOM 1369 C LEU A 85 -6.180 6.721 -3.253 1.00 0.00 C ATOM 1370 O LEU A 85 -6.072 7.924 -3.014 1.00 0.00 O ATOM 1371 CB LEU A 85 -8.339 5.854 -2.339 1.00 0.00 C ATOM 1372 CG LEU A 85 -9.021 4.568 -2.807 1.00 0.00 C ATOM 1373 CD1 LEU A 85 -9.294 3.653 -1.626 1.00 0.00 C ATOM 1374 CD2 LEU A 85 -10.311 4.886 -3.546 1.00 0.00 C ATOM 0 H LEU A 85 -6.970 6.776 -0.404 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.490 4.761 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.739 6.125 -1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.603 6.658 -3.026 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.351 4.053 -3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.780 2.742 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.353 3.398 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.945 4.161 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.782 3.958 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.988 5.423 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.089 5.505 -4.416 1.00 0.00 H new ATOM 1386 N PHE A 86 -5.767 6.168 -4.388 1.00 0.00 N ATOM 1387 CA PHE A 86 -5.148 6.966 -5.442 1.00 0.00 C ATOM 1388 C PHE A 86 -4.930 6.141 -6.709 1.00 0.00 C ATOM 1389 O PHE A 86 -4.247 5.118 -6.686 1.00 0.00 O ATOM 1390 CB PHE A 86 -3.819 7.557 -4.951 1.00 0.00 C ATOM 1391 CG PHE A 86 -2.619 6.691 -5.222 1.00 0.00 C ATOM 1392 CD1 PHE A 86 -2.031 6.674 -6.478 1.00 0.00 C ATOM 1393 CD2 PHE A 86 -2.079 5.900 -4.223 1.00 0.00 C ATOM 1394 CE1 PHE A 86 -0.926 5.884 -6.730 1.00 0.00 C ATOM 1395 CE2 PHE A 86 -0.974 5.107 -4.468 1.00 0.00 C ATOM 1396 CZ PHE A 86 -0.398 5.099 -5.724 1.00 0.00 C ATOM 0 H PHE A 86 -5.849 5.174 -4.602 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.827 7.782 -5.689 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.668 8.526 -5.427 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.889 7.736 -3.878 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.442 7.285 -7.268 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -2.527 5.902 -3.240 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.476 5.880 -7.712 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.562 4.495 -3.680 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.465 4.479 -5.919 1.00 0.00 H new ATOM 1406 N LYS A 87 -5.512 6.600 -7.812 1.00 0.00 N ATOM 1407 CA LYS A 87 -5.385 5.915 -9.094 1.00 0.00 C ATOM 1408 C LYS A 87 -4.236 6.500 -9.909 1.00 0.00 C ATOM 1409 O LYS A 87 -4.243 7.681 -10.251 1.00 0.00 O ATOM 1410 CB LYS A 87 -6.691 6.032 -9.881 1.00 0.00 C ATOM 1411 CG LYS A 87 -7.212 4.709 -10.405 1.00 0.00 C ATOM 1412 CD LYS A 87 -8.582 4.875 -11.036 1.00 0.00 C ATOM 1413 CE LYS A 87 -8.484 5.070 -12.539 1.00 0.00 C ATOM 1414 NZ LYS A 87 -9.787 5.480 -13.131 1.00 0.00 N ATOM 0 H LYS A 87 -6.079 7.447 -7.844 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.173 4.863 -8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.450 6.483 -9.242 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.538 6.710 -10.721 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.516 4.305 -11.140 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.268 3.988 -9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.191 3.997 -10.821 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.088 5.731 -10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.731 5.827 -12.759 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.149 4.143 -13.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.687 5.570 -14.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.508 4.762 -12.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.078 6.395 -12.730 1.00 0.00 H new ATOM 1428 N SER A 88 -3.249 5.664 -10.217 1.00 0.00 N ATOM 1429 CA SER A 88 -2.095 6.104 -10.992 1.00 0.00 C ATOM 1430 C SER A 88 -2.383 6.022 -12.482 1.00 0.00 C ATOM 1431 O SER A 88 -1.472 6.010 -13.310 1.00 0.00 O ATOM 1432 CB SER A 88 -0.874 5.256 -10.652 1.00 0.00 C ATOM 1433 OG SER A 88 -0.049 5.903 -9.697 1.00 0.00 O ATOM 0 H SER A 88 -3.225 4.682 -9.943 1.00 0.00 H new ATOM 0 HA SER A 88 -1.890 7.143 -10.735 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.196 4.290 -10.263 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.301 5.060 -11.558 1.00 0.00 H new ATOM 0 HG SER A 88 0.725 5.337 -9.496 1.00 0.00 H new ATOM 1490 N ARG B 4 20.778 -1.754 6.957 1.00 0.00 N ATOM 1491 CA ARG B 4 19.544 -2.438 6.581 1.00 0.00 C ATOM 1492 C ARG B 4 18.911 -3.118 7.793 1.00 0.00 C ATOM 1493 O ARG B 4 18.840 -4.345 7.861 1.00 0.00 O ATOM 1494 CB ARG B 4 19.815 -3.475 5.485 1.00 0.00 C ATOM 1495 CG ARG B 4 21.292 -3.699 5.205 1.00 0.00 C ATOM 1496 CD ARG B 4 21.658 -3.282 3.789 1.00 0.00 C ATOM 1497 NE ARG B 4 23.099 -3.106 3.626 1.00 0.00 N ATOM 1498 CZ ARG B 4 23.644 -2.176 2.848 1.00 0.00 C ATOM 1499 NH1 ARG B 4 22.870 -1.342 2.167 1.00 0.00 N ATOM 1500 NH2 ARG B 4 24.962 -2.081 2.750 1.00 0.00 N ATOM 0 HA ARG B 4 18.850 -1.691 6.197 1.00 0.00 H new ATOM 0 HB2 ARG B 4 19.362 -4.423 5.775 1.00 0.00 H new ATOM 0 HB3 ARG B 4 19.325 -3.155 4.566 1.00 0.00 H new ATOM 0 HG2 ARG B 4 21.889 -3.132 5.919 1.00 0.00 H new ATOM 0 HG3 ARG B 4 21.536 -4.751 5.351 1.00 0.00 H new ATOM 0 HD2 ARG B 4 21.303 -4.035 3.086 1.00 0.00 H new ATOM 0 HD3 ARG B 4 21.149 -2.350 3.542 1.00 0.00 H new ATOM 0 HE ARG B 4 23.722 -3.731 4.138 1.00 0.00 H new ATOM 0 HH11 ARG B 4 21.855 -1.414 2.240 1.00 0.00 H new ATOM 0 HH12 ARG B 4 23.290 -0.629 1.570 1.00 0.00 H new ATOM 0 HH21 ARG B 4 25.560 -2.722 3.272 1.00 0.00 H new ATOM 0 HH22 ARG B 4 25.379 -1.367 2.153 1.00 0.00 H new ATOM 1514 N LYS B 5 18.455 -2.312 8.747 1.00 0.00 N ATOM 1515 CA LYS B 5 17.831 -2.836 9.958 1.00 0.00 C ATOM 1516 C LYS B 5 16.326 -2.996 9.774 1.00 0.00 C ATOM 1517 O LYS B 5 15.550 -2.781 10.705 1.00 0.00 O ATOM 1518 CB LYS B 5 18.120 -1.915 11.146 1.00 0.00 C ATOM 1519 CG LYS B 5 18.459 -2.661 12.427 1.00 0.00 C ATOM 1520 CD LYS B 5 17.265 -2.726 13.367 1.00 0.00 C ATOM 1521 CE LYS B 5 17.517 -3.683 14.521 1.00 0.00 C ATOM 1522 NZ LYS B 5 16.554 -3.473 15.638 1.00 0.00 N ATOM 0 H LYS B 5 18.506 -1.294 8.705 1.00 0.00 H new ATOM 0 HA LYS B 5 18.257 -3.819 10.158 1.00 0.00 H new ATOM 0 HB2 LYS B 5 18.949 -1.255 10.890 1.00 0.00 H new ATOM 0 HB3 LYS B 5 17.251 -1.282 11.324 1.00 0.00 H new ATOM 0 HG2 LYS B 5 18.788 -3.672 12.185 1.00 0.00 H new ATOM 0 HG3 LYS B 5 19.291 -2.166 12.928 1.00 0.00 H new ATOM 0 HD2 LYS B 5 17.053 -1.731 13.758 1.00 0.00 H new ATOM 0 HD3 LYS B 5 16.382 -3.046 12.814 1.00 0.00 H new ATOM 0 HE2 LYS B 5 17.440 -4.710 14.164 1.00 0.00 H new ATOM 0 HE3 LYS B 5 18.534 -3.548 14.889 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 16.760 -4.145 16.405 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 16.644 -2.501 15.996 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 15.585 -3.627 15.294 1.00 0.00 H new ATOM 1536 N ALA B 6 15.922 -3.381 8.568 1.00 0.00 N ATOM 1537 CA ALA B 6 14.511 -3.578 8.263 1.00 0.00 C ATOM 1538 C ALA B 6 14.197 -5.053 8.056 1.00 0.00 C ATOM 1539 O ALA B 6 14.900 -5.926 8.566 1.00 0.00 O ATOM 1540 CB ALA B 6 14.118 -2.778 7.029 1.00 0.00 C ATOM 0 H ALA B 6 16.552 -3.563 7.787 1.00 0.00 H new ATOM 0 HA ALA B 6 13.930 -3.222 9.114 1.00 0.00 H new ATOM 0 HB1 ALA B 6 13.061 -2.936 6.814 1.00 0.00 H new ATOM 0 HB2 ALA B 6 14.297 -1.718 7.210 1.00 0.00 H new ATOM 0 HB3 ALA B 6 14.714 -3.106 6.178 1.00 0.00 H new ATOM 1546 N VAL B 7 13.137 -5.327 7.305 1.00 0.00 N ATOM 1547 CA VAL B 7 12.731 -6.699 7.031 1.00 0.00 C ATOM 1548 C VAL B 7 11.870 -6.777 5.776 1.00 0.00 C ATOM 1549 O VAL B 7 10.678 -7.075 5.853 1.00 0.00 O ATOM 1550 CB VAL B 7 11.945 -7.297 8.213 1.00 0.00 C ATOM 1551 CG1 VAL B 7 11.818 -8.805 8.061 1.00 0.00 C ATOM 1552 CG2 VAL B 7 12.608 -6.940 9.533 1.00 0.00 C ATOM 0 H VAL B 7 12.544 -4.617 6.875 1.00 0.00 H new ATOM 0 HA VAL B 7 13.644 -7.275 6.880 1.00 0.00 H new ATOM 0 HB VAL B 7 10.942 -6.869 8.212 1.00 0.00 H new ATOM 0 HG11 VAL B 7 11.260 -9.210 8.905 1.00 0.00 H new ATOM 0 HG12 VAL B 7 11.292 -9.034 7.134 1.00 0.00 H new ATOM 0 HG13 VAL B 7 12.811 -9.253 8.034 1.00 0.00 H new ATOM 0 HG21 VAL B 7 12.037 -7.372 10.355 1.00 0.00 H new ATOM 0 HG22 VAL B 7 13.624 -7.336 9.549 1.00 0.00 H new ATOM 0 HG23 VAL B 7 12.639 -5.856 9.643 1.00 0.00 H new ATOM 1562 N ILE B 8 12.474 -6.510 4.621 1.00 0.00 N ATOM 1563 CA ILE B 8 11.744 -6.558 3.362 1.00 0.00 C ATOM 1564 C ILE B 8 10.709 -7.678 3.397 1.00 0.00 C ATOM 1565 O ILE B 8 10.951 -8.747 3.958 1.00 0.00 O ATOM 1566 CB ILE B 8 12.704 -6.731 2.150 1.00 0.00 C ATOM 1567 CG1 ILE B 8 13.046 -5.364 1.551 1.00 0.00 C ATOM 1568 CG2 ILE B 8 12.112 -7.635 1.070 1.00 0.00 C ATOM 1569 CD1 ILE B 8 14.153 -4.638 2.283 1.00 0.00 C ATOM 0 H ILE B 8 13.459 -6.260 4.533 1.00 0.00 H new ATOM 0 HA ILE B 8 11.229 -5.606 3.235 1.00 0.00 H new ATOM 0 HB ILE B 8 13.611 -7.209 2.520 1.00 0.00 H new ATOM 0 HG12 ILE B 8 13.338 -5.497 0.509 1.00 0.00 H new ATOM 0 HG13 ILE B 8 12.151 -4.742 1.555 1.00 0.00 H new ATOM 0 HG21 ILE B 8 12.818 -7.726 0.244 1.00 0.00 H new ATOM 0 HG22 ILE B 8 11.915 -8.622 1.489 1.00 0.00 H new ATOM 0 HG23 ILE B 8 11.180 -7.203 0.705 1.00 0.00 H new ATOM 0 HD11 ILE B 8 14.339 -3.678 1.801 1.00 0.00 H new ATOM 0 HD12 ILE B 8 13.857 -4.473 3.319 1.00 0.00 H new ATOM 0 HD13 ILE B 8 15.062 -5.239 2.257 1.00 0.00 H new ATOM 1581 N LYS B 9 9.559 -7.422 2.793 1.00 0.00 N ATOM 1582 CA LYS B 9 8.484 -8.406 2.750 1.00 0.00 C ATOM 1583 C LYS B 9 8.128 -8.742 1.310 1.00 0.00 C ATOM 1584 O LYS B 9 7.573 -9.802 1.025 1.00 0.00 O ATOM 1585 CB LYS B 9 7.250 -7.883 3.487 1.00 0.00 C ATOM 1586 CG LYS B 9 7.517 -7.524 4.940 1.00 0.00 C ATOM 1587 CD LYS B 9 7.409 -8.741 5.845 1.00 0.00 C ATOM 1588 CE LYS B 9 8.426 -9.807 5.468 1.00 0.00 C ATOM 1589 NZ LYS B 9 7.808 -11.158 5.373 1.00 0.00 N ATOM 0 H LYS B 9 9.344 -6.541 2.325 1.00 0.00 H new ATOM 0 HA LYS B 9 8.830 -9.313 3.246 1.00 0.00 H new ATOM 0 HB2 LYS B 9 6.872 -7.002 2.967 1.00 0.00 H new ATOM 0 HB3 LYS B 9 6.465 -8.638 3.446 1.00 0.00 H new ATOM 0 HG2 LYS B 9 8.512 -7.089 5.031 1.00 0.00 H new ATOM 0 HG3 LYS B 9 6.806 -6.764 5.264 1.00 0.00 H new ATOM 0 HD2 LYS B 9 7.563 -8.440 6.881 1.00 0.00 H new ATOM 0 HD3 LYS B 9 6.403 -9.156 5.780 1.00 0.00 H new ATOM 0 HE2 LYS B 9 8.884 -9.550 4.513 1.00 0.00 H new ATOM 0 HE3 LYS B 9 9.225 -9.825 6.210 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 8.535 -11.855 5.114 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 7.393 -11.415 6.291 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 7.063 -11.149 4.647 1.00 0.00 H new ATOM 1603 N ASN B 10 8.458 -7.829 0.405 1.00 0.00 N ATOM 1604 CA ASN B 10 8.181 -8.023 -1.011 1.00 0.00 C ATOM 1605 C ASN B 10 9.221 -7.300 -1.857 1.00 0.00 C ATOM 1606 O ASN B 10 10.360 -7.751 -1.978 1.00 0.00 O ATOM 1607 CB ASN B 10 6.779 -7.514 -1.354 1.00 0.00 C ATOM 1608 CG ASN B 10 6.294 -8.018 -2.700 1.00 0.00 C ATOM 1609 OD1 ASN B 10 7.226 -8.229 -3.622 1.00 0.00 O flip ATOM 1610 ND2 ASN B 10 5.097 -8.217 -2.907 1.00 0.00 N flip ATOM 0 H ASN B 10 8.918 -6.946 0.628 1.00 0.00 H new ATOM 0 HA ASN B 10 8.230 -9.090 -1.230 1.00 0.00 H new ATOM 0 HB2 ASN B 10 6.081 -7.829 -0.578 1.00 0.00 H new ATOM 0 HB3 ASN B 10 6.782 -6.424 -1.357 1.00 0.00 H new ATOM 0 HD21 ASN B 10 4.416 -8.041 -2.169 1.00 0.00 H new ATOM 0 HD22 ASN B 10 4.787 -8.558 -3.817 1.00 0.00 H new ATOM 1617 N ALA B 11 8.828 -6.171 -2.430 1.00 0.00 N ATOM 1618 CA ALA B 11 9.732 -5.379 -3.250 1.00 0.00 C ATOM 1619 C ALA B 11 10.068 -6.081 -4.558 1.00 0.00 C ATOM 1620 O ALA B 11 10.187 -7.305 -4.612 1.00 0.00 O ATOM 1621 CB ALA B 11 11.007 -5.079 -2.478 1.00 0.00 C ATOM 0 H ALA B 11 7.889 -5.783 -2.342 1.00 0.00 H new ATOM 0 HA ALA B 11 9.226 -4.445 -3.495 1.00 0.00 H new ATOM 0 HB1 ALA B 11 11.678 -4.486 -3.100 1.00 0.00 H new ATOM 0 HB2 ALA B 11 10.762 -4.522 -1.574 1.00 0.00 H new ATOM 0 HB3 ALA B 11 11.496 -6.014 -2.206 1.00 0.00 H new ATOM 1627 N ASP B 12 10.233 -5.287 -5.608 1.00 0.00 N ATOM 1628 CA ASP B 12 10.574 -5.807 -6.924 1.00 0.00 C ATOM 1629 C ASP B 12 11.489 -4.826 -7.640 1.00 0.00 C ATOM 1630 O ASP B 12 11.542 -4.780 -8.869 1.00 0.00 O ATOM 1631 CB ASP B 12 9.311 -6.055 -7.750 1.00 0.00 C ATOM 1632 CG ASP B 12 9.244 -7.469 -8.293 1.00 0.00 C ATOM 1633 OD1 ASP B 12 10.305 -8.124 -8.377 1.00 0.00 O ATOM 1634 OD2 ASP B 12 8.131 -7.922 -8.634 1.00 0.00 O ATOM 0 H ASP B 12 10.135 -4.272 -5.572 1.00 0.00 H new ATOM 0 HA ASP B 12 11.093 -6.758 -6.803 1.00 0.00 H new ATOM 0 HB2 ASP B 12 8.433 -5.864 -7.133 1.00 0.00 H new ATOM 0 HB3 ASP B 12 9.278 -5.348 -8.579 1.00 0.00 H new ATOM 1639 N MET B 13 12.206 -4.037 -6.847 1.00 0.00 N ATOM 1640 CA MET B 13 13.125 -3.038 -7.373 1.00 0.00 C ATOM 1641 C MET B 13 14.569 -3.524 -7.286 1.00 0.00 C ATOM 1642 O MET B 13 14.864 -4.503 -6.600 1.00 0.00 O ATOM 1643 CB MET B 13 12.970 -1.726 -6.600 1.00 0.00 C ATOM 1644 CG MET B 13 14.140 -0.772 -6.771 1.00 0.00 C ATOM 1645 SD MET B 13 13.690 0.944 -6.453 1.00 0.00 S ATOM 1646 CE MET B 13 13.169 0.842 -4.743 1.00 0.00 C ATOM 0 H MET B 13 12.166 -4.072 -5.828 1.00 0.00 H new ATOM 0 HA MET B 13 12.882 -2.870 -8.422 1.00 0.00 H new ATOM 0 HB2 MET B 13 12.057 -1.228 -6.926 1.00 0.00 H new ATOM 0 HB3 MET B 13 12.849 -1.951 -5.540 1.00 0.00 H new ATOM 0 HG2 MET B 13 14.943 -1.064 -6.095 1.00 0.00 H new ATOM 0 HG3 MET B 13 14.530 -0.859 -7.785 1.00 0.00 H new ATOM 0 HE1 MET B 13 13.251 1.825 -4.278 1.00 0.00 H new ATOM 0 HE2 MET B 13 12.134 0.504 -4.698 1.00 0.00 H new ATOM 0 HE3 MET B 13 13.805 0.135 -4.210 1.00 0.00 H new ATOM 1656 N SER B 14 15.465 -2.831 -7.980 1.00 0.00 N ATOM 1657 CA SER B 14 16.878 -3.189 -7.976 1.00 0.00 C ATOM 1658 C SER B 14 17.373 -3.426 -6.553 1.00 0.00 C ATOM 1659 O SER B 14 16.952 -2.744 -5.618 1.00 0.00 O ATOM 1660 CB SER B 14 17.705 -2.083 -8.636 1.00 0.00 C ATOM 1661 OG SER B 14 17.813 -2.291 -10.034 1.00 0.00 O ATOM 0 H SER B 14 15.238 -2.018 -8.553 1.00 0.00 H new ATOM 0 HA SER B 14 16.997 -4.112 -8.543 1.00 0.00 H new ATOM 0 HB2 SER B 14 17.242 -1.115 -8.444 1.00 0.00 H new ATOM 0 HB3 SER B 14 18.700 -2.054 -8.192 1.00 0.00 H new ATOM 0 HG SER B 14 18.344 -1.570 -10.432 1.00 0.00 H new ATOM 1667 N GLU B 15 18.266 -4.397 -6.393 1.00 0.00 N ATOM 1668 CA GLU B 15 18.815 -4.721 -5.081 1.00 0.00 C ATOM 1669 C GLU B 15 19.313 -3.464 -4.375 1.00 0.00 C ATOM 1670 O GLU B 15 18.726 -3.021 -3.388 1.00 0.00 O ATOM 1671 CB GLU B 15 19.957 -5.729 -5.215 1.00 0.00 C ATOM 1672 CG GLU B 15 20.917 -5.411 -6.350 1.00 0.00 C ATOM 1673 CD GLU B 15 21.540 -6.657 -6.949 1.00 0.00 C ATOM 1674 OE1 GLU B 15 20.866 -7.707 -6.967 1.00 0.00 O ATOM 1675 OE2 GLU B 15 22.701 -6.580 -7.401 1.00 0.00 O ATOM 0 H GLU B 15 18.625 -4.973 -7.155 1.00 0.00 H new ATOM 0 HA GLU B 15 18.019 -5.163 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU B 15 20.513 -5.763 -4.278 1.00 0.00 H new ATOM 0 HB3 GLU B 15 19.537 -6.723 -5.372 1.00 0.00 H new ATOM 0 HG2 GLU B 15 20.386 -4.864 -7.129 1.00 0.00 H new ATOM 0 HG3 GLU B 15 21.706 -4.755 -5.982 1.00 0.00 H new ATOM 1682 N GLU B 16 20.398 -2.894 -4.887 1.00 0.00 N ATOM 1683 CA GLU B 16 20.973 -1.687 -4.305 1.00 0.00 C ATOM 1684 C GLU B 16 19.890 -0.646 -4.039 1.00 0.00 C ATOM 1685 O GLU B 16 20.069 0.255 -3.220 1.00 0.00 O ATOM 1686 CB GLU B 16 22.044 -1.106 -5.231 1.00 0.00 C ATOM 1687 CG GLU B 16 22.603 -2.114 -6.223 1.00 0.00 C ATOM 1688 CD GLU B 16 24.040 -1.821 -6.605 1.00 0.00 C ATOM 1689 OE1 GLU B 16 24.943 -2.113 -5.793 1.00 0.00 O ATOM 1690 OE2 GLU B 16 24.264 -1.301 -7.720 1.00 0.00 O ATOM 0 H GLU B 16 20.897 -3.248 -5.703 1.00 0.00 H new ATOM 0 HA GLU B 16 21.436 -1.955 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU B 16 21.620 -0.265 -5.780 1.00 0.00 H new ATOM 0 HB3 GLU B 16 22.861 -0.713 -4.626 1.00 0.00 H new ATOM 0 HG2 GLU B 16 22.542 -3.114 -5.793 1.00 0.00 H new ATOM 0 HG3 GLU B 16 21.985 -2.115 -7.121 1.00 0.00 H new ATOM 1697 N MET B 17 18.765 -0.779 -4.735 1.00 0.00 N ATOM 1698 CA MET B 17 17.652 0.151 -4.572 1.00 0.00 C ATOM 1699 C MET B 17 16.800 -0.222 -3.363 1.00 0.00 C ATOM 1700 O MET B 17 16.315 0.650 -2.641 1.00 0.00 O ATOM 1701 CB MET B 17 16.785 0.173 -5.833 1.00 0.00 C ATOM 1702 CG MET B 17 17.393 0.969 -6.975 1.00 0.00 C ATOM 1703 SD MET B 17 16.404 2.410 -7.424 1.00 0.00 S ATOM 1704 CE MET B 17 15.987 3.056 -5.806 1.00 0.00 C ATOM 0 H MET B 17 18.600 -1.520 -5.416 1.00 0.00 H new ATOM 0 HA MET B 17 18.068 1.145 -4.408 1.00 0.00 H new ATOM 0 HB2 MET B 17 16.615 -0.851 -6.165 1.00 0.00 H new ATOM 0 HB3 MET B 17 15.810 0.594 -5.586 1.00 0.00 H new ATOM 0 HG2 MET B 17 18.394 1.294 -6.693 1.00 0.00 H new ATOM 0 HG3 MET B 17 17.501 0.322 -7.846 1.00 0.00 H new ATOM 0 HE1 MET B 17 15.888 4.140 -5.862 1.00 0.00 H new ATOM 0 HE2 MET B 17 15.044 2.622 -5.473 1.00 0.00 H new ATOM 0 HE3 MET B 17 16.775 2.800 -5.098 1.00 0.00 H new ATOM 1714 N GLN B 18 16.623 -1.522 -3.146 1.00 0.00 N ATOM 1715 CA GLN B 18 15.831 -2.006 -2.021 1.00 0.00 C ATOM 1716 C GLN B 18 16.577 -1.797 -0.709 1.00 0.00 C ATOM 1717 O GLN B 18 15.970 -1.509 0.325 1.00 0.00 O ATOM 1718 CB GLN B 18 15.493 -3.487 -2.201 1.00 0.00 C ATOM 1719 CG GLN B 18 16.335 -4.182 -3.258 1.00 0.00 C ATOM 1720 CD GLN B 18 15.506 -5.031 -4.200 1.00 0.00 C ATOM 1721 OE1 GLN B 18 16.042 -5.781 -5.016 1.00 0.00 O ATOM 1722 NE2 GLN B 18 14.186 -4.919 -4.092 1.00 0.00 N ATOM 0 H GLN B 18 17.017 -2.257 -3.733 1.00 0.00 H new ATOM 0 HA GLN B 18 14.903 -1.435 -1.989 1.00 0.00 H new ATOM 0 HB2 GLN B 18 15.626 -3.999 -1.248 1.00 0.00 H new ATOM 0 HB3 GLN B 18 14.440 -3.580 -2.468 1.00 0.00 H new ATOM 0 HG2 GLN B 18 16.879 -3.433 -3.834 1.00 0.00 H new ATOM 0 HG3 GLN B 18 17.079 -4.810 -2.769 1.00 0.00 H new ATOM 0 HE21 GLN B 18 13.783 -4.285 -3.402 1.00 0.00 H new ATOM 0 HE22 GLN B 18 13.576 -5.467 -4.699 1.00 0.00 H new ATOM 1731 N GLN B 19 17.898 -1.932 -0.759 1.00 0.00 N ATOM 1732 CA GLN B 19 18.726 -1.749 0.422 1.00 0.00 C ATOM 1733 C GLN B 19 18.903 -0.266 0.706 1.00 0.00 C ATOM 1734 O GLN B 19 18.854 0.170 1.855 1.00 0.00 O ATOM 1735 CB GLN B 19 20.089 -2.411 0.227 1.00 0.00 C ATOM 1736 CG GLN B 19 20.018 -3.925 0.134 1.00 0.00 C ATOM 1737 CD GLN B 19 21.368 -4.582 0.336 1.00 0.00 C ATOM 1738 OE1 GLN B 19 21.761 -4.888 1.461 1.00 0.00 O ATOM 1739 NE2 GLN B 19 22.089 -4.799 -0.758 1.00 0.00 N ATOM 0 H GLN B 19 18.416 -2.167 -1.606 1.00 0.00 H new ATOM 0 HA GLN B 19 18.231 -2.219 1.272 1.00 0.00 H new ATOM 0 HB2 GLN B 19 20.548 -2.020 -0.681 1.00 0.00 H new ATOM 0 HB3 GLN B 19 20.740 -2.136 1.057 1.00 0.00 H new ATOM 0 HG2 GLN B 19 19.320 -4.299 0.882 1.00 0.00 H new ATOM 0 HG3 GLN B 19 19.622 -4.208 -0.841 1.00 0.00 H new ATOM 0 HE21 GLN B 19 21.724 -4.529 -1.671 1.00 0.00 H new ATOM 0 HE22 GLN B 19 23.008 -5.236 -0.685 1.00 0.00 H new ATOM 1748 N ASP B 20 19.091 0.505 -0.358 1.00 0.00 N ATOM 1749 CA ASP B 20 19.256 1.943 -0.231 1.00 0.00 C ATOM 1750 C ASP B 20 17.939 2.573 0.204 1.00 0.00 C ATOM 1751 O ASP B 20 17.920 3.556 0.947 1.00 0.00 O ATOM 1752 CB ASP B 20 19.723 2.552 -1.555 1.00 0.00 C ATOM 1753 CG ASP B 20 21.111 3.155 -1.457 1.00 0.00 C ATOM 1754 OD1 ASP B 20 22.095 2.427 -1.706 1.00 0.00 O ATOM 1755 OD2 ASP B 20 21.214 4.357 -1.133 1.00 0.00 O ATOM 0 H ASP B 20 19.133 0.157 -1.316 1.00 0.00 H new ATOM 0 HA ASP B 20 20.017 2.144 0.523 1.00 0.00 H new ATOM 0 HB2 ASP B 20 19.718 1.783 -2.327 1.00 0.00 H new ATOM 0 HB3 ASP B 20 19.017 3.322 -1.867 1.00 0.00 H new ATOM 1760 N SER B 21 16.839 1.984 -0.255 1.00 0.00 N ATOM 1761 CA SER B 21 15.510 2.469 0.092 1.00 0.00 C ATOM 1762 C SER B 21 15.260 2.292 1.582 1.00 0.00 C ATOM 1763 O SER B 21 14.842 3.226 2.268 1.00 0.00 O ATOM 1764 CB SER B 21 14.441 1.727 -0.711 1.00 0.00 C ATOM 1765 OG SER B 21 13.760 0.784 0.097 1.00 0.00 O ATOM 0 H SER B 21 16.843 1.169 -0.869 1.00 0.00 H new ATOM 0 HA SER B 21 15.455 3.530 -0.153 1.00 0.00 H new ATOM 0 HB2 SER B 21 13.728 2.442 -1.121 1.00 0.00 H new ATOM 0 HB3 SER B 21 14.904 1.219 -1.557 1.00 0.00 H new ATOM 0 HG SER B 21 13.060 1.238 0.611 1.00 0.00 H new ATOM 1771 N VAL B 22 15.533 1.091 2.081 1.00 0.00 N ATOM 1772 CA VAL B 22 15.350 0.800 3.494 1.00 0.00 C ATOM 1773 C VAL B 22 16.220 1.723 4.337 1.00 0.00 C ATOM 1774 O VAL B 22 15.815 2.170 5.411 1.00 0.00 O ATOM 1775 CB VAL B 22 15.708 -0.661 3.823 1.00 0.00 C ATOM 1776 CG1 VAL B 22 15.630 -0.902 5.322 1.00 0.00 C ATOM 1777 CG2 VAL B 22 14.797 -1.619 3.070 1.00 0.00 C ATOM 0 H VAL B 22 15.880 0.307 1.528 1.00 0.00 H new ATOM 0 HA VAL B 22 14.297 0.962 3.726 1.00 0.00 H new ATOM 0 HB VAL B 22 16.733 -0.847 3.501 1.00 0.00 H new ATOM 0 HG11 VAL B 22 15.886 -1.939 5.538 1.00 0.00 H new ATOM 0 HG12 VAL B 22 16.330 -0.242 5.834 1.00 0.00 H new ATOM 0 HG13 VAL B 22 14.618 -0.698 5.671 1.00 0.00 H new ATOM 0 HG21 VAL B 22 15.066 -2.646 3.316 1.00 0.00 H new ATOM 0 HG22 VAL B 22 13.761 -1.437 3.356 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.910 -1.461 1.997 1.00 0.00 H new ATOM 1787 N GLU B 23 17.417 2.009 3.834 1.00 0.00 N ATOM 1788 CA GLU B 23 18.349 2.885 4.527 1.00 0.00 C ATOM 1789 C GLU B 23 17.774 4.290 4.635 1.00 0.00 C ATOM 1790 O GLU B 23 17.981 4.979 5.633 1.00 0.00 O ATOM 1791 CB GLU B 23 19.694 2.917 3.798 1.00 0.00 C ATOM 1792 CG GLU B 23 20.473 1.616 3.902 1.00 0.00 C ATOM 1793 CD GLU B 23 21.871 1.725 3.323 1.00 0.00 C ATOM 1794 OE1 GLU B 23 22.011 2.257 2.202 1.00 0.00 O ATOM 1795 OE2 GLU B 23 22.826 1.279 3.993 1.00 0.00 O ATOM 0 H GLU B 23 17.763 1.645 2.946 1.00 0.00 H new ATOM 0 HA GLU B 23 18.508 2.495 5.532 1.00 0.00 H new ATOM 0 HB2 GLU B 23 19.522 3.145 2.746 1.00 0.00 H new ATOM 0 HB3 GLU B 23 20.299 3.727 4.205 1.00 0.00 H new ATOM 0 HG2 GLU B 23 20.539 1.319 4.949 1.00 0.00 H new ATOM 0 HG3 GLU B 23 19.929 0.828 3.381 1.00 0.00 H new ATOM 1802 N CYS B 24 17.038 4.707 3.610 1.00 0.00 N ATOM 1803 CA CYS B 24 16.421 6.027 3.611 1.00 0.00 C ATOM 1804 C CYS B 24 15.249 6.048 4.584 1.00 0.00 C ATOM 1805 O CYS B 24 14.998 7.049 5.256 1.00 0.00 O ATOM 1806 CB CYS B 24 15.948 6.405 2.206 1.00 0.00 C ATOM 1807 SG CYS B 24 15.863 8.187 1.911 1.00 0.00 S ATOM 0 H CYS B 24 16.855 4.153 2.773 1.00 0.00 H new ATOM 0 HA CYS B 24 17.164 6.759 3.929 1.00 0.00 H new ATOM 0 HB2 CYS B 24 16.622 5.958 1.475 1.00 0.00 H new ATOM 0 HB3 CYS B 24 14.962 5.972 2.037 1.00 0.00 H new ATOM 0 HG CYS B 24 15.486 8.790 2.999 1.00 0.00 H new ATOM 1813 N ALA B 25 14.555 4.917 4.681 1.00 0.00 N ATOM 1814 CA ALA B 25 13.436 4.791 5.598 1.00 0.00 C ATOM 1815 C ALA B 25 13.979 4.715 7.008 1.00 0.00 C ATOM 1816 O ALA B 25 13.395 5.242 7.957 1.00 0.00 O ATOM 1817 CB ALA B 25 12.610 3.553 5.273 1.00 0.00 C ATOM 0 H ALA B 25 14.751 4.078 4.135 1.00 0.00 H new ATOM 0 HA ALA B 25 12.781 5.657 5.501 1.00 0.00 H new ATOM 0 HB1 ALA B 25 11.777 3.478 5.972 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.225 3.629 4.256 1.00 0.00 H new ATOM 0 HB3 ALA B 25 13.236 2.665 5.358 1.00 0.00 H new ATOM 1823 N THR B 26 15.131 4.072 7.117 1.00 0.00 N ATOM 1824 CA THR B 26 15.815 3.927 8.384 1.00 0.00 C ATOM 1825 C THR B 26 16.358 5.277 8.829 1.00 0.00 C ATOM 1826 O THR B 26 16.225 5.663 9.991 1.00 0.00 O ATOM 1827 CB THR B 26 16.950 2.921 8.247 1.00 0.00 C ATOM 1828 OG1 THR B 26 16.446 1.630 7.956 1.00 0.00 O ATOM 1829 CG2 THR B 26 17.797 2.811 9.489 1.00 0.00 C ATOM 0 H THR B 26 15.614 3.639 6.330 1.00 0.00 H new ATOM 0 HA THR B 26 15.113 3.563 9.134 1.00 0.00 H new ATOM 0 HB THR B 26 17.570 3.294 7.432 1.00 0.00 H new ATOM 0 HG1 THR B 26 16.054 1.627 7.058 1.00 0.00 H new ATOM 0 HG21 THR B 26 18.588 2.078 9.327 1.00 0.00 H new ATOM 0 HG22 THR B 26 18.241 3.781 9.713 1.00 0.00 H new ATOM 0 HG23 THR B 26 17.175 2.494 10.326 1.00 0.00 H new ATOM 1837 N GLN B 27 16.952 6.001 7.883 1.00 0.00 N ATOM 1838 CA GLN B 27 17.496 7.320 8.166 1.00 0.00 C ATOM 1839 C GLN B 27 16.428 8.180 8.822 1.00 0.00 C ATOM 1840 O GLN B 27 16.669 8.828 9.840 1.00 0.00 O ATOM 1841 CB GLN B 27 17.999 7.980 6.882 1.00 0.00 C ATOM 1842 CG GLN B 27 16.907 8.661 6.081 1.00 0.00 C ATOM 1843 CD GLN B 27 17.055 10.169 6.065 1.00 0.00 C ATOM 1844 OE1 GLN B 27 18.205 10.656 6.516 1.00 0.00 O flip ATOM 1845 NE2 GLN B 27 16.145 10.889 5.651 1.00 0.00 N flip ATOM 0 H GLN B 27 17.067 5.694 6.917 1.00 0.00 H new ATOM 0 HA GLN B 27 18.341 7.218 8.847 1.00 0.00 H new ATOM 0 HB2 GLN B 27 18.763 8.715 7.136 1.00 0.00 H new ATOM 0 HB3 GLN B 27 18.478 7.225 6.259 1.00 0.00 H new ATOM 0 HG2 GLN B 27 16.924 8.286 5.058 1.00 0.00 H new ATOM 0 HG3 GLN B 27 15.936 8.399 6.500 1.00 0.00 H new ATOM 0 HE21 GLN B 27 15.278 10.471 5.313 1.00 0.00 H new ATOM 0 HE22 GLN B 27 16.259 11.903 5.646 1.00 0.00 H new ATOM 1854 N ALA B 28 15.235 8.157 8.239 1.00 0.00 N ATOM 1855 CA ALA B 28 14.112 8.911 8.773 1.00 0.00 C ATOM 1856 C ALA B 28 13.629 8.267 10.067 1.00 0.00 C ATOM 1857 O ALA B 28 13.028 8.918 10.920 1.00 0.00 O ATOM 1858 CB ALA B 28 12.984 8.976 7.756 1.00 0.00 C ATOM 0 H ALA B 28 15.023 7.623 7.396 1.00 0.00 H new ATOM 0 HA ALA B 28 14.437 9.930 8.985 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.152 9.544 8.172 1.00 0.00 H new ATOM 0 HB2 ALA B 28 13.340 9.465 6.849 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.651 7.966 7.517 1.00 0.00 H new ATOM 1864 N LEU B 29 13.910 6.976 10.205 1.00 0.00 N ATOM 1865 CA LEU B 29 13.522 6.229 11.393 1.00 0.00 C ATOM 1866 C LEU B 29 14.367 6.650 12.589 1.00 0.00 C ATOM 1867 O LEU B 29 13.879 6.723 13.716 1.00 0.00 O ATOM 1868 CB LEU B 29 13.673 4.731 11.153 1.00 0.00 C ATOM 1869 CG LEU B 29 12.536 4.100 10.358 1.00 0.00 C ATOM 1870 CD1 LEU B 29 13.074 3.029 9.431 1.00 0.00 C ATOM 1871 CD2 LEU B 29 11.487 3.524 11.295 1.00 0.00 C ATOM 0 H LEU B 29 14.407 6.425 9.505 1.00 0.00 H new ATOM 0 HA LEU B 29 12.476 6.449 11.607 1.00 0.00 H new ATOM 0 HB2 LEU B 29 14.610 4.553 10.626 1.00 0.00 H new ATOM 0 HB3 LEU B 29 13.749 4.227 12.117 1.00 0.00 H new ATOM 0 HG LEU B 29 12.063 4.873 9.752 1.00 0.00 H new ATOM 0 HD11 LEU B 29 12.251 2.587 8.869 1.00 0.00 H new ATOM 0 HD12 LEU B 29 13.789 3.473 8.738 1.00 0.00 H new ATOM 0 HD13 LEU B 29 13.570 2.256 10.018 1.00 0.00 H new ATOM 0 HD21 LEU B 29 10.683 3.078 10.710 1.00 0.00 H new ATOM 0 HD22 LEU B 29 11.943 2.762 11.927 1.00 0.00 H new ATOM 0 HD23 LEU B 29 11.082 4.319 11.921 1.00 0.00 H new ATOM 1883 N GLU B 30 15.641 6.927 12.327 1.00 0.00 N ATOM 1884 CA GLU B 30 16.566 7.346 13.372 1.00 0.00 C ATOM 1885 C GLU B 30 16.502 8.856 13.572 1.00 0.00 C ATOM 1886 O GLU B 30 16.750 9.360 14.667 1.00 0.00 O ATOM 1887 CB GLU B 30 17.994 6.928 13.011 1.00 0.00 C ATOM 1888 CG GLU B 30 18.488 5.717 13.786 1.00 0.00 C ATOM 1889 CD GLU B 30 18.887 6.058 15.209 1.00 0.00 C ATOM 1890 OE1 GLU B 30 18.897 7.260 15.551 1.00 0.00 O ATOM 1891 OE2 GLU B 30 19.188 5.124 15.981 1.00 0.00 O ATOM 0 H GLU B 30 16.056 6.868 11.397 1.00 0.00 H new ATOM 0 HA GLU B 30 16.276 6.859 14.303 1.00 0.00 H new ATOM 0 HB2 GLU B 30 18.041 6.710 11.944 1.00 0.00 H new ATOM 0 HB3 GLU B 30 18.666 7.766 13.195 1.00 0.00 H new ATOM 0 HG2 GLU B 30 17.706 4.958 13.804 1.00 0.00 H new ATOM 0 HG3 GLU B 30 19.342 5.282 13.267 1.00 0.00 H new ATOM 1898 N LYS B 31 16.165 9.572 12.503 1.00 0.00 N ATOM 1899 CA LYS B 31 16.064 11.025 12.556 1.00 0.00 C ATOM 1900 C LYS B 31 14.694 11.454 13.073 1.00 0.00 C ATOM 1901 O LYS B 31 14.548 12.523 13.664 1.00 0.00 O ATOM 1902 CB LYS B 31 16.311 11.623 11.169 1.00 0.00 C ATOM 1903 CG LYS B 31 17.671 11.269 10.587 1.00 0.00 C ATOM 1904 CD LYS B 31 18.794 11.582 11.563 1.00 0.00 C ATOM 1905 CE LYS B 31 20.150 11.201 10.991 1.00 0.00 C ATOM 1906 NZ LYS B 31 20.285 9.728 10.815 1.00 0.00 N ATOM 0 H LYS B 31 15.957 9.168 11.590 1.00 0.00 H new ATOM 0 HA LYS B 31 16.824 11.395 13.244 1.00 0.00 H new ATOM 0 HB2 LYS B 31 15.533 11.276 10.489 1.00 0.00 H new ATOM 0 HB3 LYS B 31 16.222 12.708 11.229 1.00 0.00 H new ATOM 0 HG2 LYS B 31 17.694 10.209 10.332 1.00 0.00 H new ATOM 0 HG3 LYS B 31 17.827 11.823 9.661 1.00 0.00 H new ATOM 0 HD2 LYS B 31 18.784 12.645 11.802 1.00 0.00 H new ATOM 0 HD3 LYS B 31 18.627 11.044 12.496 1.00 0.00 H new ATOM 0 HE2 LYS B 31 20.291 11.696 10.030 1.00 0.00 H new ATOM 0 HE3 LYS B 31 20.937 11.561 11.653 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 21.276 9.493 10.603 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 19.994 9.246 11.689 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 19.679 9.415 10.030 1.00 0.00 H new ATOM 1920 N TYR B 32 13.695 10.608 12.847 1.00 0.00 N ATOM 1921 CA TYR B 32 12.334 10.892 13.290 1.00 0.00 C ATOM 1922 C TYR B 32 11.595 9.599 13.622 1.00 0.00 C ATOM 1923 O TYR B 32 12.027 8.510 13.241 1.00 0.00 O ATOM 1924 CB TYR B 32 11.568 11.664 12.213 1.00 0.00 C ATOM 1925 CG TYR B 32 12.458 12.353 11.204 1.00 0.00 C ATOM 1926 CD1 TYR B 32 13.189 11.621 10.278 1.00 0.00 C ATOM 1927 CD2 TYR B 32 12.561 13.738 11.172 1.00 0.00 C ATOM 1928 CE1 TYR B 32 13.999 12.247 9.350 1.00 0.00 C ATOM 1929 CE2 TYR B 32 13.369 14.372 10.248 1.00 0.00 C ATOM 1930 CZ TYR B 32 14.085 13.622 9.339 1.00 0.00 C ATOM 1931 OH TYR B 32 14.891 14.250 8.417 1.00 0.00 O ATOM 0 H TYR B 32 13.802 9.719 12.359 1.00 0.00 H new ATOM 0 HA TYR B 32 12.393 11.505 14.190 1.00 0.00 H new ATOM 0 HB2 TYR B 32 10.905 10.976 11.688 1.00 0.00 H new ATOM 0 HB3 TYR B 32 10.936 12.410 12.695 1.00 0.00 H new ATOM 0 HD1 TYR B 32 13.123 10.543 10.283 1.00 0.00 H new ATOM 0 HD2 TYR B 32 12.000 14.329 11.881 1.00 0.00 H new ATOM 0 HE1 TYR B 32 14.561 11.662 8.637 1.00 0.00 H new ATOM 0 HE2 TYR B 32 13.440 15.450 10.238 1.00 0.00 H new ATOM 0 HH TYR B 32 14.838 15.220 8.543 1.00 0.00 H new ATOM 1941 N ASN B 33 10.478 9.725 14.329 1.00 0.00 N ATOM 1942 CA ASN B 33 9.678 8.565 14.707 1.00 0.00 C ATOM 1943 C ASN B 33 8.212 8.776 14.342 1.00 0.00 C ATOM 1944 O ASN B 33 7.315 8.271 15.016 1.00 0.00 O ATOM 1945 CB ASN B 33 9.805 8.291 16.206 1.00 0.00 C ATOM 1946 CG ASN B 33 11.174 7.758 16.584 1.00 0.00 C ATOM 1947 OD1 ASN B 33 12.149 8.506 16.650 1.00 0.00 O ATOM 1948 ND2 ASN B 33 11.250 6.456 16.834 1.00 0.00 N ATOM 0 H ASN B 33 10.106 10.618 14.652 1.00 0.00 H new ATOM 0 HA ASN B 33 10.055 7.703 14.156 1.00 0.00 H new ATOM 0 HB2 ASN B 33 9.611 9.211 16.758 1.00 0.00 H new ATOM 0 HB3 ASN B 33 9.043 7.572 16.507 1.00 0.00 H new ATOM 0 HD21 ASN B 33 12.143 6.038 17.093 1.00 0.00 H new ATOM 0 HD22 ASN B 33 10.415 5.874 16.767 1.00 0.00 H new ATOM 1955 N ILE B 34 7.979 9.526 13.271 1.00 0.00 N ATOM 1956 CA ILE B 34 6.623 9.807 12.815 1.00 0.00 C ATOM 1957 C ILE B 34 6.355 9.161 11.461 1.00 0.00 C ATOM 1958 O ILE B 34 6.861 9.617 10.438 1.00 0.00 O ATOM 1959 CB ILE B 34 6.375 11.322 12.698 1.00 0.00 C ATOM 1960 CG1 ILE B 34 7.225 12.082 13.714 1.00 0.00 C ATOM 1961 CG2 ILE B 34 4.898 11.635 12.891 1.00 0.00 C ATOM 1962 CD1 ILE B 34 6.977 11.653 15.139 1.00 0.00 C ATOM 0 H ILE B 34 8.712 9.950 12.702 1.00 0.00 H new ATOM 0 HA ILE B 34 5.946 9.388 13.559 1.00 0.00 H new ATOM 0 HB ILE B 34 6.666 11.645 11.699 1.00 0.00 H new ATOM 0 HG12 ILE B 34 8.279 11.937 13.476 1.00 0.00 H new ATOM 0 HG13 ILE B 34 7.021 13.149 13.622 1.00 0.00 H new ATOM 0 HG21 ILE B 34 4.740 12.710 12.805 1.00 0.00 H new ATOM 0 HG22 ILE B 34 4.314 11.120 12.128 1.00 0.00 H new ATOM 0 HG23 ILE B 34 4.581 11.299 13.878 1.00 0.00 H new ATOM 0 HD11 ILE B 34 7.613 12.232 15.809 1.00 0.00 H new ATOM 0 HD12 ILE B 34 5.931 11.823 15.393 1.00 0.00 H new ATOM 0 HD13 ILE B 34 7.208 10.593 15.245 1.00 0.00 H new ATOM 1974 N GLU B 35 5.554 8.098 11.463 1.00 0.00 N ATOM 1975 CA GLU B 35 5.220 7.395 10.229 1.00 0.00 C ATOM 1976 C GLU B 35 5.203 8.362 9.050 1.00 0.00 C ATOM 1977 O GLU B 35 6.050 8.289 8.161 1.00 0.00 O ATOM 1978 CB GLU B 35 3.861 6.705 10.358 1.00 0.00 C ATOM 1979 CG GLU B 35 3.905 5.417 11.164 1.00 0.00 C ATOM 1980 CD GLU B 35 3.953 5.663 12.658 1.00 0.00 C ATOM 1981 OE1 GLU B 35 3.138 6.471 13.153 1.00 0.00 O ATOM 1982 OE2 GLU B 35 4.806 5.051 13.334 1.00 0.00 O ATOM 0 H GLU B 35 5.126 7.707 12.302 1.00 0.00 H new ATOM 0 HA GLU B 35 5.984 6.638 10.050 1.00 0.00 H new ATOM 0 HB2 GLU B 35 3.157 7.393 10.827 1.00 0.00 H new ATOM 0 HB3 GLU B 35 3.478 6.487 9.361 1.00 0.00 H new ATOM 0 HG2 GLU B 35 3.028 4.815 10.927 1.00 0.00 H new ATOM 0 HG3 GLU B 35 4.779 4.837 10.867 1.00 0.00 H new ATOM 1989 N LYS B 36 4.235 9.272 9.053 1.00 0.00 N ATOM 1990 CA LYS B 36 4.112 10.261 7.988 1.00 0.00 C ATOM 1991 C LYS B 36 5.454 10.931 7.714 1.00 0.00 C ATOM 1992 O LYS B 36 5.987 10.846 6.608 1.00 0.00 O ATOM 1993 CB LYS B 36 3.065 11.315 8.360 1.00 0.00 C ATOM 1994 CG LYS B 36 2.650 11.274 9.822 1.00 0.00 C ATOM 1995 CD LYS B 36 2.452 12.670 10.388 1.00 0.00 C ATOM 1996 CE LYS B 36 1.819 12.623 11.770 1.00 0.00 C ATOM 1997 NZ LYS B 36 2.496 13.544 12.723 1.00 0.00 N ATOM 0 H LYS B 36 3.524 9.345 9.781 1.00 0.00 H new ATOM 0 HA LYS B 36 3.791 9.747 7.082 1.00 0.00 H new ATOM 0 HB2 LYS B 36 3.461 12.304 8.131 1.00 0.00 H new ATOM 0 HB3 LYS B 36 2.182 11.173 7.737 1.00 0.00 H new ATOM 0 HG2 LYS B 36 1.725 10.706 9.922 1.00 0.00 H new ATOM 0 HG3 LYS B 36 3.410 10.750 10.402 1.00 0.00 H new ATOM 0 HD2 LYS B 36 3.413 13.182 10.443 1.00 0.00 H new ATOM 0 HD3 LYS B 36 1.820 13.251 9.716 1.00 0.00 H new ATOM 0 HE2 LYS B 36 0.765 12.889 11.695 1.00 0.00 H new ATOM 0 HE3 LYS B 36 1.864 11.604 12.155 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 2.818 13.008 13.554 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 3.315 13.985 12.257 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 1.829 14.283 13.024 1.00 0.00 H new ATOM 2011 N ASP B 37 5.998 11.595 8.729 1.00 0.00 N ATOM 2012 CA ASP B 37 7.281 12.275 8.596 1.00 0.00 C ATOM 2013 C ASP B 37 8.293 11.381 7.887 1.00 0.00 C ATOM 2014 O ASP B 37 8.739 11.686 6.782 1.00 0.00 O ATOM 2015 CB ASP B 37 7.813 12.679 9.972 1.00 0.00 C ATOM 2016 CG ASP B 37 7.498 14.123 10.313 1.00 0.00 C ATOM 2017 OD1 ASP B 37 6.585 14.696 9.682 1.00 0.00 O ATOM 2018 OD2 ASP B 37 8.164 14.680 11.211 1.00 0.00 O ATOM 0 H ASP B 37 5.571 11.676 9.652 1.00 0.00 H new ATOM 0 HA ASP B 37 7.131 13.173 7.997 1.00 0.00 H new ATOM 0 HB2 ASP B 37 7.381 12.027 10.731 1.00 0.00 H new ATOM 0 HB3 ASP B 37 8.892 12.529 9.999 1.00 0.00 H new ATOM 2023 N ILE B 38 8.645 10.276 8.531 1.00 0.00 N ATOM 2024 CA ILE B 38 9.602 9.332 7.968 1.00 0.00 C ATOM 2025 C ILE B 38 9.352 9.118 6.480 1.00 0.00 C ATOM 2026 O ILE B 38 10.282 9.150 5.673 1.00 0.00 O ATOM 2027 CB ILE B 38 9.536 7.975 8.693 1.00 0.00 C ATOM 2028 CG1 ILE B 38 9.412 8.188 10.201 1.00 0.00 C ATOM 2029 CG2 ILE B 38 10.764 7.137 8.369 1.00 0.00 C ATOM 2030 CD1 ILE B 38 9.074 6.927 10.964 1.00 0.00 C ATOM 0 H ILE B 38 8.281 10.011 9.446 1.00 0.00 H new ATOM 0 HA ILE B 38 10.594 9.762 8.105 1.00 0.00 H new ATOM 0 HB ILE B 38 8.655 7.436 8.345 1.00 0.00 H new ATOM 0 HG12 ILE B 38 10.350 8.592 10.581 1.00 0.00 H new ATOM 0 HG13 ILE B 38 8.642 8.936 10.392 1.00 0.00 H new ATOM 0 HG21 ILE B 38 10.700 6.182 8.890 1.00 0.00 H new ATOM 0 HG22 ILE B 38 10.812 6.962 7.294 1.00 0.00 H new ATOM 0 HG23 ILE B 38 11.661 7.666 8.690 1.00 0.00 H new ATOM 0 HD11 ILE B 38 9.002 7.154 12.028 1.00 0.00 H new ATOM 0 HD12 ILE B 38 8.121 6.533 10.612 1.00 0.00 H new ATOM 0 HD13 ILE B 38 9.855 6.184 10.803 1.00 0.00 H new ATOM 2042 N ALA B 39 8.092 8.903 6.122 1.00 0.00 N ATOM 2043 CA ALA B 39 7.720 8.686 4.729 1.00 0.00 C ATOM 2044 C ALA B 39 7.986 9.933 3.892 1.00 0.00 C ATOM 2045 O ALA B 39 8.490 9.844 2.772 1.00 0.00 O ATOM 2046 CB ALA B 39 6.257 8.283 4.631 1.00 0.00 C ATOM 0 H ALA B 39 7.310 8.874 6.777 1.00 0.00 H new ATOM 0 HA ALA B 39 8.334 7.877 4.334 1.00 0.00 H new ATOM 0 HB1 ALA B 39 5.993 8.124 3.586 1.00 0.00 H new ATOM 0 HB2 ALA B 39 6.095 7.362 5.190 1.00 0.00 H new ATOM 0 HB3 ALA B 39 5.633 9.074 5.047 1.00 0.00 H new ATOM 2052 N ALA B 40 7.644 11.093 4.442 1.00 0.00 N ATOM 2053 CA ALA B 40 7.846 12.358 3.747 1.00 0.00 C ATOM 2054 C ALA B 40 9.314 12.557 3.381 1.00 0.00 C ATOM 2055 O ALA B 40 9.657 12.695 2.206 1.00 0.00 O ATOM 2056 CB ALA B 40 7.349 13.514 4.601 1.00 0.00 C ATOM 0 H ALA B 40 7.225 11.183 5.368 1.00 0.00 H new ATOM 0 HA ALA B 40 7.271 12.332 2.822 1.00 0.00 H new ATOM 0 HB1 ALA B 40 7.506 14.453 4.070 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.286 13.385 4.804 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.898 13.534 5.542 1.00 0.00 H new ATOM 2062 N HIS B 41 10.178 12.569 4.391 1.00 0.00 N ATOM 2063 CA HIS B 41 11.609 12.751 4.170 1.00 0.00 C ATOM 2064 C HIS B 41 12.130 11.738 3.156 1.00 0.00 C ATOM 2065 O HIS B 41 12.731 12.106 2.148 1.00 0.00 O ATOM 2066 CB HIS B 41 12.377 12.615 5.486 1.00 0.00 C ATOM 2067 CG HIS B 41 11.525 12.812 6.701 1.00 0.00 C ATOM 2068 ND1 HIS B 41 11.704 12.102 7.869 1.00 0.00 N ATOM 2069 CD2 HIS B 41 10.485 13.649 6.928 1.00 0.00 C ATOM 2070 CE1 HIS B 41 10.809 12.491 8.760 1.00 0.00 C ATOM 2071 NE2 HIS B 41 10.059 13.429 8.214 1.00 0.00 N ATOM 0 H HIS B 41 9.913 12.455 5.369 1.00 0.00 H new ATOM 0 HA HIS B 41 11.765 13.754 3.774 1.00 0.00 H new ATOM 0 HB2 HIS B 41 12.834 11.626 5.530 1.00 0.00 H new ATOM 0 HB3 HIS B 41 13.189 13.342 5.500 1.00 0.00 H new ATOM 0 HD1 HIS B 41 12.416 11.388 8.022 1.00 0.00 H new ATOM 0 HD2 HIS B 41 10.068 14.358 6.228 1.00 0.00 H new ATOM 0 HE1 HIS B 41 10.709 12.106 9.764 1.00 0.00 H new ATOM 2080 N ILE B 42 11.894 10.460 3.431 1.00 0.00 N ATOM 2081 CA ILE B 42 12.337 9.393 2.544 1.00 0.00 C ATOM 2082 C ILE B 42 12.020 9.721 1.089 1.00 0.00 C ATOM 2083 O ILE B 42 12.919 9.972 0.287 1.00 0.00 O ATOM 2084 CB ILE B 42 11.679 8.051 2.908 1.00 0.00 C ATOM 2085 CG1 ILE B 42 12.023 7.661 4.347 1.00 0.00 C ATOM 2086 CG2 ILE B 42 12.117 6.965 1.937 1.00 0.00 C ATOM 2087 CD1 ILE B 42 11.024 6.711 4.972 1.00 0.00 C ATOM 0 H ILE B 42 11.398 10.138 4.262 1.00 0.00 H new ATOM 0 HA ILE B 42 13.416 9.307 2.669 1.00 0.00 H new ATOM 0 HB ILE B 42 10.597 8.162 2.833 1.00 0.00 H new ATOM 0 HG12 ILE B 42 13.010 7.199 4.363 1.00 0.00 H new ATOM 0 HG13 ILE B 42 12.083 8.564 4.955 1.00 0.00 H new ATOM 0 HG21 ILE B 42 11.643 6.022 2.208 1.00 0.00 H new ATOM 0 HG22 ILE B 42 11.822 7.242 0.925 1.00 0.00 H new ATOM 0 HG23 ILE B 42 13.200 6.852 1.981 1.00 0.00 H new ATOM 0 HD11 ILE B 42 11.332 6.478 5.991 1.00 0.00 H new ATOM 0 HD12 ILE B 42 10.039 7.178 4.988 1.00 0.00 H new ATOM 0 HD13 ILE B 42 10.981 5.792 4.387 1.00 0.00 H new ATOM 2099 N LYS B 43 10.735 9.713 0.756 1.00 0.00 N ATOM 2100 CA LYS B 43 10.296 10.008 -0.603 1.00 0.00 C ATOM 2101 C LYS B 43 11.020 11.231 -1.155 1.00 0.00 C ATOM 2102 O LYS B 43 11.342 11.289 -2.341 1.00 0.00 O ATOM 2103 CB LYS B 43 8.786 10.239 -0.637 1.00 0.00 C ATOM 2104 CG LYS B 43 8.290 10.811 -1.955 1.00 0.00 C ATOM 2105 CD LYS B 43 8.378 12.328 -1.971 1.00 0.00 C ATOM 2106 CE LYS B 43 8.288 12.878 -3.386 1.00 0.00 C ATOM 2107 NZ LYS B 43 9.199 14.040 -3.589 1.00 0.00 N ATOM 0 H LYS B 43 9.979 9.506 1.408 1.00 0.00 H new ATOM 0 HA LYS B 43 10.539 9.149 -1.229 1.00 0.00 H new ATOM 0 HB2 LYS B 43 8.277 9.294 -0.446 1.00 0.00 H new ATOM 0 HB3 LYS B 43 8.512 10.918 0.171 1.00 0.00 H new ATOM 0 HG2 LYS B 43 8.880 10.402 -2.775 1.00 0.00 H new ATOM 0 HG3 LYS B 43 7.258 10.503 -2.121 1.00 0.00 H new ATOM 0 HD2 LYS B 43 7.574 12.746 -1.365 1.00 0.00 H new ATOM 0 HD3 LYS B 43 9.317 12.644 -1.516 1.00 0.00 H new ATOM 0 HE2 LYS B 43 8.538 12.092 -4.098 1.00 0.00 H new ATOM 0 HE3 LYS B 43 7.262 13.181 -3.593 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 9.184 14.322 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 8.882 14.837 -3.000 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 10.167 13.773 -3.318 1.00 0.00 H new ATOM 2121 N LYS B 44 11.271 12.207 -0.288 1.00 0.00 N ATOM 2122 CA LYS B 44 11.957 13.429 -0.693 1.00 0.00 C ATOM 2123 C LYS B 44 13.396 13.137 -1.102 1.00 0.00 C ATOM 2124 O LYS B 44 13.848 13.556 -2.166 1.00 0.00 O ATOM 2125 CB LYS B 44 11.936 14.454 0.443 1.00 0.00 C ATOM 2126 CG LYS B 44 11.878 15.893 -0.041 1.00 0.00 C ATOM 2127 CD LYS B 44 13.177 16.630 0.244 1.00 0.00 C ATOM 2128 CE LYS B 44 14.287 16.184 -0.693 1.00 0.00 C ATOM 2129 NZ LYS B 44 15.427 15.581 0.050 1.00 0.00 N ATOM 0 H LYS B 44 11.010 12.176 0.698 1.00 0.00 H new ATOM 0 HA LYS B 44 11.430 13.841 -1.554 1.00 0.00 H new ATOM 0 HB2 LYS B 44 11.075 14.259 1.082 1.00 0.00 H new ATOM 0 HB3 LYS B 44 12.826 14.321 1.058 1.00 0.00 H new ATOM 0 HG2 LYS B 44 11.676 15.910 -1.112 1.00 0.00 H new ATOM 0 HG3 LYS B 44 11.051 16.409 0.447 1.00 0.00 H new ATOM 0 HD2 LYS B 44 13.019 17.703 0.137 1.00 0.00 H new ATOM 0 HD3 LYS B 44 13.478 16.453 1.277 1.00 0.00 H new ATOM 0 HE2 LYS B 44 13.893 15.459 -1.405 1.00 0.00 H new ATOM 0 HE3 LYS B 44 14.640 17.038 -1.271 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 16.164 15.289 -0.623 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 15.819 16.281 0.711 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 15.095 14.751 0.581 1.00 0.00 H new ATOM 2143 N GLU B 45 14.108 12.415 -0.247 1.00 0.00 N ATOM 2144 CA GLU B 45 15.499 12.064 -0.514 1.00 0.00 C ATOM 2145 C GLU B 45 15.606 11.151 -1.730 1.00 0.00 C ATOM 2146 O GLU B 45 16.555 11.245 -2.506 1.00 0.00 O ATOM 2147 CB GLU B 45 16.118 11.377 0.706 1.00 0.00 C ATOM 2148 CG GLU B 45 17.130 12.239 1.442 1.00 0.00 C ATOM 2149 CD GLU B 45 18.543 12.044 0.933 1.00 0.00 C ATOM 2150 OE1 GLU B 45 18.875 10.912 0.522 1.00 0.00 O ATOM 2151 OE2 GLU B 45 19.320 13.023 0.947 1.00 0.00 O ATOM 0 H GLU B 45 13.746 12.060 0.638 1.00 0.00 H new ATOM 0 HA GLU B 45 16.045 12.984 -0.722 1.00 0.00 H new ATOM 0 HB2 GLU B 45 15.323 11.096 1.396 1.00 0.00 H new ATOM 0 HB3 GLU B 45 16.603 10.455 0.386 1.00 0.00 H new ATOM 0 HG2 GLU B 45 16.852 13.288 1.338 1.00 0.00 H new ATOM 0 HG3 GLU B 45 17.096 12.004 2.506 1.00 0.00 H new ATOM 2158 N PHE B 46 14.626 10.268 -1.889 1.00 0.00 N ATOM 2159 CA PHE B 46 14.613 9.336 -3.010 1.00 0.00 C ATOM 2160 C PHE B 46 14.379 10.067 -4.326 1.00 0.00 C ATOM 2161 O PHE B 46 14.998 9.750 -5.343 1.00 0.00 O ATOM 2162 CB PHE B 46 13.533 8.274 -2.807 1.00 0.00 C ATOM 2163 CG PHE B 46 14.088 6.901 -2.567 1.00 0.00 C ATOM 2164 CD1 PHE B 46 14.811 6.626 -1.418 1.00 0.00 C ATOM 2165 CD2 PHE B 46 13.890 5.887 -3.490 1.00 0.00 C ATOM 2166 CE1 PHE B 46 15.325 5.364 -1.194 1.00 0.00 C ATOM 2167 CE2 PHE B 46 14.401 4.623 -3.271 1.00 0.00 C ATOM 2168 CZ PHE B 46 15.119 4.362 -2.121 1.00 0.00 C ATOM 0 H PHE B 46 13.831 10.178 -1.256 1.00 0.00 H new ATOM 0 HA PHE B 46 15.588 8.850 -3.053 1.00 0.00 H new ATOM 0 HB2 PHE B 46 12.908 8.559 -1.961 1.00 0.00 H new ATOM 0 HB3 PHE B 46 12.888 8.249 -3.685 1.00 0.00 H new ATOM 0 HD1 PHE B 46 14.974 7.407 -0.690 1.00 0.00 H new ATOM 0 HD2 PHE B 46 13.330 6.087 -4.391 1.00 0.00 H new ATOM 0 HE1 PHE B 46 15.887 5.161 -0.295 1.00 0.00 H new ATOM 0 HE2 PHE B 46 14.239 3.840 -3.998 1.00 0.00 H new ATOM 0 HZ PHE B 46 15.519 3.374 -1.947 1.00 0.00 H new ATOM 2178 N ASP B 47 13.480 11.045 -4.304 1.00 0.00 N ATOM 2179 CA ASP B 47 13.167 11.816 -5.499 1.00 0.00 C ATOM 2180 C ASP B 47 14.357 12.671 -5.922 1.00 0.00 C ATOM 2181 O ASP B 47 14.637 12.816 -7.111 1.00 0.00 O ATOM 2182 CB ASP B 47 11.936 12.697 -5.256 1.00 0.00 C ATOM 2183 CG ASP B 47 12.284 14.166 -5.095 1.00 0.00 C ATOM 2184 OD1 ASP B 47 12.613 14.813 -6.112 1.00 0.00 O ATOM 2185 OD2 ASP B 47 12.228 14.669 -3.953 1.00 0.00 O ATOM 0 H ASP B 47 12.957 11.321 -3.473 1.00 0.00 H new ATOM 0 HA ASP B 47 12.946 11.119 -6.307 1.00 0.00 H new ATOM 0 HB2 ASP B 47 11.243 12.582 -6.089 1.00 0.00 H new ATOM 0 HB3 ASP B 47 11.419 12.351 -4.361 1.00 0.00 H new ATOM 2190 N LYS B 48 15.054 13.238 -4.943 1.00 0.00 N ATOM 2191 CA LYS B 48 16.210 14.080 -5.221 1.00 0.00 C ATOM 2192 C LYS B 48 17.453 13.237 -5.487 1.00 0.00 C ATOM 2193 O LYS B 48 18.322 13.624 -6.270 1.00 0.00 O ATOM 2194 CB LYS B 48 16.464 15.034 -4.052 1.00 0.00 C ATOM 2195 CG LYS B 48 15.862 16.415 -4.253 1.00 0.00 C ATOM 2196 CD LYS B 48 16.917 17.429 -4.660 1.00 0.00 C ATOM 2197 CE LYS B 48 17.376 17.214 -6.093 1.00 0.00 C ATOM 2198 NZ LYS B 48 16.366 17.693 -7.076 1.00 0.00 N ATOM 0 H LYS B 48 14.838 13.130 -3.952 1.00 0.00 H new ATOM 0 HA LYS B 48 15.995 14.662 -6.117 1.00 0.00 H new ATOM 0 HB2 LYS B 48 16.054 14.597 -3.141 1.00 0.00 H new ATOM 0 HB3 LYS B 48 17.539 15.134 -3.902 1.00 0.00 H new ATOM 0 HG2 LYS B 48 15.087 16.367 -5.018 1.00 0.00 H new ATOM 0 HG3 LYS B 48 15.380 16.740 -3.331 1.00 0.00 H new ATOM 0 HD2 LYS B 48 16.515 18.436 -4.553 1.00 0.00 H new ATOM 0 HD3 LYS B 48 17.772 17.355 -3.988 1.00 0.00 H new ATOM 0 HE2 LYS B 48 18.318 17.738 -6.255 1.00 0.00 H new ATOM 0 HE3 LYS B 48 17.569 16.154 -6.258 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 16.757 17.623 -8.037 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 15.509 17.107 -7.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 16.125 18.684 -6.872 1.00 0.00 H new ATOM 2212 N LYS B 49 17.536 12.084 -4.830 1.00 0.00 N ATOM 2213 CA LYS B 49 18.677 11.192 -4.995 1.00 0.00 C ATOM 2214 C LYS B 49 18.456 10.213 -6.146 1.00 0.00 C ATOM 2215 O LYS B 49 19.390 9.546 -6.592 1.00 0.00 O ATOM 2216 CB LYS B 49 18.938 10.419 -3.700 1.00 0.00 C ATOM 2217 CG LYS B 49 20.079 10.990 -2.872 1.00 0.00 C ATOM 2218 CD LYS B 49 21.264 10.038 -2.827 1.00 0.00 C ATOM 2219 CE LYS B 49 21.827 9.784 -4.215 1.00 0.00 C ATOM 2220 NZ LYS B 49 23.117 9.043 -4.164 1.00 0.00 N ATOM 0 H LYS B 49 16.827 11.746 -4.179 1.00 0.00 H new ATOM 0 HA LYS B 49 19.546 11.806 -5.231 1.00 0.00 H new ATOM 0 HB2 LYS B 49 18.029 10.416 -3.098 1.00 0.00 H new ATOM 0 HB3 LYS B 49 19.161 9.381 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS B 49 20.394 11.945 -3.293 1.00 0.00 H new ATOM 0 HG3 LYS B 49 19.731 11.188 -1.858 1.00 0.00 H new ATOM 0 HD2 LYS B 49 22.043 10.455 -2.188 1.00 0.00 H new ATOM 0 HD3 LYS B 49 20.956 9.093 -2.380 1.00 0.00 H new ATOM 0 HE2 LYS B 49 21.105 9.216 -4.801 1.00 0.00 H new ATOM 0 HE3 LYS B 49 21.975 10.735 -4.726 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 23.468 8.890 -5.131 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 23.814 9.597 -3.626 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 22.971 8.124 -3.699 1.00 0.00 H new ATOM 2234 N TYR B 50 17.217 10.124 -6.622 1.00 0.00 N ATOM 2235 CA TYR B 50 16.890 9.217 -7.716 1.00 0.00 C ATOM 2236 C TYR B 50 16.254 9.961 -8.888 1.00 0.00 C ATOM 2237 O TYR B 50 16.888 10.151 -9.927 1.00 0.00 O ATOM 2238 CB TYR B 50 15.950 8.114 -7.226 1.00 0.00 C ATOM 2239 CG TYR B 50 16.567 7.213 -6.179 1.00 0.00 C ATOM 2240 CD1 TYR B 50 17.346 6.121 -6.545 1.00 0.00 C ATOM 2241 CD2 TYR B 50 16.371 7.454 -4.824 1.00 0.00 C ATOM 2242 CE1 TYR B 50 17.911 5.296 -5.590 1.00 0.00 C ATOM 2243 CE2 TYR B 50 16.933 6.633 -3.865 1.00 0.00 C ATOM 2244 CZ TYR B 50 17.702 5.557 -4.253 1.00 0.00 C ATOM 2245 OH TYR B 50 18.262 4.737 -3.300 1.00 0.00 O ATOM 0 H TYR B 50 16.428 10.666 -6.269 1.00 0.00 H new ATOM 0 HA TYR B 50 17.820 8.769 -8.065 1.00 0.00 H new ATOM 0 HB2 TYR B 50 15.050 8.571 -6.815 1.00 0.00 H new ATOM 0 HB3 TYR B 50 15.639 7.508 -8.077 1.00 0.00 H new ATOM 0 HD1 TYR B 50 17.512 5.914 -7.592 1.00 0.00 H new ATOM 0 HD2 TYR B 50 15.770 8.297 -4.516 1.00 0.00 H new ATOM 0 HE1 TYR B 50 18.513 4.451 -5.890 1.00 0.00 H new ATOM 0 HE2 TYR B 50 16.770 6.834 -2.816 1.00 0.00 H new ATOM 0 HH TYR B 50 17.560 4.401 -2.704 1.00 0.00 H new ATOM 2255 N ASN B 51 14.999 10.373 -8.716 1.00 0.00 N ATOM 2256 CA ASN B 51 14.269 11.086 -9.754 1.00 0.00 C ATOM 2257 C ASN B 51 12.771 10.971 -9.498 1.00 0.00 C ATOM 2258 O ASN B 51 12.203 9.883 -9.583 1.00 0.00 O ATOM 2259 CB ASN B 51 14.603 10.528 -11.139 1.00 0.00 C ATOM 2260 CG ASN B 51 13.986 11.346 -12.255 1.00 0.00 C ATOM 2261 OD1 ASN B 51 13.810 12.641 -12.011 1.00 0.00 O flip ATOM 2262 ND2 ASN B 51 13.671 10.824 -13.324 1.00 0.00 N flip ATOM 0 H ASN B 51 14.466 10.222 -7.859 1.00 0.00 H new ATOM 0 HA ASN B 51 14.566 12.135 -9.727 1.00 0.00 H new ATOM 0 HB2 ASN B 51 15.685 10.503 -11.266 1.00 0.00 H new ATOM 0 HB3 ASN B 51 14.250 9.499 -11.208 1.00 0.00 H new ATOM 0 HD21 ASN B 51 13.824 9.826 -13.469 1.00 0.00 H new ATOM 0 HD22 ASN B 51 13.257 11.389 -14.065 1.00 0.00 H new ATOM 2269 N PRO B 52 12.108 12.090 -9.173 1.00 0.00 N ATOM 2270 CA PRO B 52 10.676 12.093 -8.899 1.00 0.00 C ATOM 2271 C PRO B 52 9.892 11.222 -9.886 1.00 0.00 C ATOM 2272 O PRO B 52 10.312 11.055 -11.031 1.00 0.00 O ATOM 2273 CB PRO B 52 10.306 13.560 -9.058 1.00 0.00 C ATOM 2274 CG PRO B 52 11.526 14.296 -8.630 1.00 0.00 C ATOM 2275 CD PRO B 52 12.695 13.440 -9.043 1.00 0.00 C ATOM 0 HA PRO B 52 10.438 11.681 -7.918 1.00 0.00 H new ATOM 0 HB2 PRO B 52 10.042 13.794 -10.089 1.00 0.00 H new ATOM 0 HB3 PRO B 52 9.446 13.822 -8.441 1.00 0.00 H new ATOM 0 HG2 PRO B 52 11.575 15.277 -9.102 1.00 0.00 H new ATOM 0 HG3 PRO B 52 11.524 14.460 -7.552 1.00 0.00 H new ATOM 0 HD2 PRO B 52 13.129 13.781 -9.983 1.00 0.00 H new ATOM 0 HD3 PRO B 52 13.491 13.461 -8.298 1.00 0.00 H new ATOM 2283 N THR B 53 8.754 10.662 -9.449 1.00 0.00 N ATOM 2284 CA THR B 53 8.246 10.852 -8.092 1.00 0.00 C ATOM 2285 C THR B 53 8.077 9.512 -7.394 1.00 0.00 C ATOM 2286 O THR B 53 7.510 8.574 -7.955 1.00 0.00 O ATOM 2287 CB THR B 53 6.917 11.603 -8.124 1.00 0.00 C ATOM 2288 OG1 THR B 53 6.654 12.212 -6.874 1.00 0.00 O ATOM 2289 CG2 THR B 53 5.743 10.713 -8.460 1.00 0.00 C ATOM 0 H THR B 53 8.164 10.066 -10.030 1.00 0.00 H new ATOM 0 HA THR B 53 8.969 11.445 -7.532 1.00 0.00 H new ATOM 0 HB THR B 53 7.023 12.352 -8.909 1.00 0.00 H new ATOM 0 HG1 THR B 53 5.799 12.689 -6.916 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.828 11.305 -8.467 1.00 0.00 H new ATOM 0 HG22 THR B 53 5.894 10.267 -9.443 1.00 0.00 H new ATOM 0 HG23 THR B 53 5.659 9.924 -7.713 1.00 0.00 H new ATOM 2297 N TRP B 54 8.582 9.423 -6.171 1.00 0.00 N ATOM 2298 CA TRP B 54 8.499 8.191 -5.403 1.00 0.00 C ATOM 2299 C TRP B 54 7.310 8.199 -4.452 1.00 0.00 C ATOM 2300 O TRP B 54 7.167 9.098 -3.623 1.00 0.00 O ATOM 2301 CB TRP B 54 9.785 7.976 -4.607 1.00 0.00 C ATOM 2302 CG TRP B 54 11.000 7.841 -5.469 1.00 0.00 C ATOM 2303 CD1 TRP B 54 11.628 8.836 -6.159 1.00 0.00 C ATOM 2304 CD2 TRP B 54 11.734 6.641 -5.732 1.00 0.00 C ATOM 2305 NE1 TRP B 54 12.709 8.330 -6.837 1.00 0.00 N ATOM 2306 CE2 TRP B 54 12.797 6.982 -6.591 1.00 0.00 C ATOM 2307 CE3 TRP B 54 11.596 5.311 -5.326 1.00 0.00 C ATOM 2308 CZ2 TRP B 54 13.715 6.040 -7.048 1.00 0.00 C ATOM 2309 CZ3 TRP B 54 12.508 4.377 -5.780 1.00 0.00 C ATOM 2310 CH2 TRP B 54 13.556 4.745 -6.632 1.00 0.00 C ATOM 0 H TRP B 54 9.053 10.190 -5.691 1.00 0.00 H new ATOM 0 HA TRP B 54 8.364 7.374 -6.112 1.00 0.00 H new ATOM 0 HB2 TRP B 54 9.925 8.813 -3.923 1.00 0.00 H new ATOM 0 HB3 TRP B 54 9.680 7.079 -3.996 1.00 0.00 H new ATOM 0 HD1 TRP B 54 11.320 9.871 -6.170 1.00 0.00 H new ATOM 0 HE1 TRP B 54 13.344 8.868 -7.427 1.00 0.00 H new ATOM 0 HE3 TRP B 54 10.791 5.018 -4.669 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 14.523 6.321 -7.707 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 12.411 3.346 -5.472 1.00 0.00 H new ATOM 0 HH2 TRP B 54 14.254 3.992 -6.968 1.00 0.00 H new ATOM 2321 N HIS B 55 6.482 7.168 -4.556 1.00 0.00 N ATOM 2322 CA HIS B 55 5.328 7.022 -3.686 1.00 0.00 C ATOM 2323 C HIS B 55 5.698 6.067 -2.564 1.00 0.00 C ATOM 2324 O HIS B 55 5.624 4.850 -2.723 1.00 0.00 O ATOM 2325 CB HIS B 55 4.123 6.493 -4.465 1.00 0.00 C ATOM 2326 CG HIS B 55 4.112 6.912 -5.903 1.00 0.00 C ATOM 2327 ND1 HIS B 55 5.054 7.763 -6.446 1.00 0.00 N ATOM 2328 CD2 HIS B 55 3.268 6.594 -6.914 1.00 0.00 C ATOM 2329 CE1 HIS B 55 4.787 7.950 -7.727 1.00 0.00 C ATOM 2330 NE2 HIS B 55 3.711 7.252 -8.035 1.00 0.00 N ATOM 0 H HIS B 55 6.591 6.418 -5.239 1.00 0.00 H new ATOM 0 HA HIS B 55 5.050 7.993 -3.275 1.00 0.00 H new ATOM 0 HB2 HIS B 55 4.115 5.404 -4.412 1.00 0.00 H new ATOM 0 HB3 HIS B 55 3.208 6.842 -3.986 1.00 0.00 H new ATOM 0 HD2 HIS B 55 2.408 5.944 -6.850 1.00 0.00 H new ATOM 0 HE1 HIS B 55 5.354 8.569 -8.406 1.00 0.00 H new ATOM 0 HE2 HIS B 55 3.278 7.208 -8.957 1.00 0.00 H new ATOM 2339 N CYS B 56 6.140 6.623 -1.446 1.00 0.00 N ATOM 2340 CA CYS B 56 6.568 5.810 -0.325 1.00 0.00 C ATOM 2341 C CYS B 56 5.641 5.952 0.867 1.00 0.00 C ATOM 2342 O CYS B 56 4.771 6.823 0.904 1.00 0.00 O ATOM 2343 CB CYS B 56 7.992 6.184 0.087 1.00 0.00 C ATOM 2344 SG CYS B 56 9.027 6.769 -1.275 1.00 0.00 S ATOM 0 H CYS B 56 6.210 7.629 -1.294 1.00 0.00 H new ATOM 0 HA CYS B 56 6.539 4.770 -0.651 1.00 0.00 H new ATOM 0 HB2 CYS B 56 7.945 6.959 0.852 1.00 0.00 H new ATOM 0 HB3 CYS B 56 8.467 5.315 0.542 1.00 0.00 H new ATOM 0 HG CYS B 56 10.260 6.860 -0.875 1.00 0.00 H new ATOM 2350 N ILE B 57 5.849 5.083 1.840 1.00 0.00 N ATOM 2351 CA ILE B 57 5.057 5.079 3.055 1.00 0.00 C ATOM 2352 C ILE B 57 5.812 4.382 4.176 1.00 0.00 C ATOM 2353 O ILE B 57 6.773 3.655 3.926 1.00 0.00 O ATOM 2354 CB ILE B 57 3.705 4.391 2.823 1.00 0.00 C ATOM 2355 CG1 ILE B 57 2.891 5.210 1.822 1.00 0.00 C ATOM 2356 CG2 ILE B 57 2.952 4.225 4.136 1.00 0.00 C ATOM 2357 CD1 ILE B 57 1.487 4.704 1.622 1.00 0.00 C ATOM 0 H ILE B 57 6.570 4.362 1.810 1.00 0.00 H new ATOM 0 HA ILE B 57 4.872 6.114 3.343 1.00 0.00 H new ATOM 0 HB ILE B 57 3.871 3.394 2.415 1.00 0.00 H new ATOM 0 HG12 ILE B 57 2.849 6.245 2.162 1.00 0.00 H new ATOM 0 HG13 ILE B 57 3.407 5.210 0.862 1.00 0.00 H new ATOM 0 HG21 ILE B 57 1.997 3.735 3.948 1.00 0.00 H new ATOM 0 HG22 ILE B 57 3.543 3.616 4.820 1.00 0.00 H new ATOM 0 HG23 ILE B 57 2.776 5.204 4.581 1.00 0.00 H new ATOM 0 HD11 ILE B 57 0.972 5.336 0.898 1.00 0.00 H new ATOM 0 HD12 ILE B 57 1.519 3.679 1.251 1.00 0.00 H new ATOM 0 HD13 ILE B 57 0.952 4.730 2.571 1.00 0.00 H new ATOM 2369 N VAL B 58 5.393 4.612 5.412 1.00 0.00 N ATOM 2370 CA VAL B 58 6.058 4.002 6.553 1.00 0.00 C ATOM 2371 C VAL B 58 5.156 3.981 7.778 1.00 0.00 C ATOM 2372 O VAL B 58 4.798 5.027 8.320 1.00 0.00 O ATOM 2373 CB VAL B 58 7.365 4.741 6.894 1.00 0.00 C ATOM 2374 CG1 VAL B 58 7.134 6.241 6.920 1.00 0.00 C ATOM 2375 CG2 VAL B 58 7.933 4.256 8.220 1.00 0.00 C ATOM 0 H VAL B 58 4.602 5.211 5.649 1.00 0.00 H new ATOM 0 HA VAL B 58 6.291 2.975 6.272 1.00 0.00 H new ATOM 0 HB VAL B 58 8.097 4.520 6.117 1.00 0.00 H new ATOM 0 HG11 VAL B 58 8.068 6.749 7.163 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.784 6.572 5.942 1.00 0.00 H new ATOM 0 HG13 VAL B 58 6.384 6.481 7.674 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.856 4.793 8.439 1.00 0.00 H new ATOM 0 HG22 VAL B 58 7.210 4.439 9.014 1.00 0.00 H new ATOM 0 HG23 VAL B 58 8.141 3.188 8.158 1.00 0.00 H new ATOM 2385 N GLY B 59 4.797 2.780 8.209 1.00 0.00 N ATOM 2386 CA GLY B 59 3.945 2.631 9.369 1.00 0.00 C ATOM 2387 C GLY B 59 4.332 1.431 10.204 1.00 0.00 C ATOM 2388 O GLY B 59 5.512 1.220 10.488 1.00 0.00 O ATOM 0 H GLY B 59 5.083 1.903 7.773 1.00 0.00 H new ATOM 0 HA2 GLY B 59 4.003 3.532 9.980 1.00 0.00 H new ATOM 0 HA3 GLY B 59 2.908 2.530 9.047 1.00 0.00 H new ATOM 2392 N ARG B 60 3.342 0.645 10.604 1.00 0.00 N ATOM 2393 CA ARG B 60 3.590 -0.532 11.412 1.00 0.00 C ATOM 2394 C ARG B 60 2.321 -1.354 11.590 1.00 0.00 C ATOM 2395 O ARG B 60 2.282 -2.286 12.392 1.00 0.00 O ATOM 2396 CB ARG B 60 4.127 -0.105 12.768 1.00 0.00 C ATOM 2397 CG ARG B 60 3.366 1.056 13.385 1.00 0.00 C ATOM 2398 CD ARG B 60 4.188 1.755 14.455 1.00 0.00 C ATOM 2399 NE ARG B 60 4.231 0.990 15.697 1.00 0.00 N ATOM 2400 CZ ARG B 60 4.352 1.540 16.899 1.00 0.00 C ATOM 2401 NH1 ARG B 60 4.445 2.858 17.023 1.00 0.00 N ATOM 2402 NH2 ARG B 60 4.379 0.773 17.980 1.00 0.00 N ATOM 0 H ARG B 60 2.360 0.805 10.380 1.00 0.00 H new ATOM 0 HA ARG B 60 4.324 -1.156 10.903 1.00 0.00 H new ATOM 0 HB2 ARG B 60 4.090 -0.956 13.449 1.00 0.00 H new ATOM 0 HB3 ARG B 60 5.176 0.174 12.663 1.00 0.00 H new ATOM 0 HG2 ARG B 60 3.097 1.770 12.607 1.00 0.00 H new ATOM 0 HG3 ARG B 60 2.435 0.692 13.820 1.00 0.00 H new ATOM 0 HD2 ARG B 60 5.203 1.910 14.089 1.00 0.00 H new ATOM 0 HD3 ARG B 60 3.766 2.741 14.651 1.00 0.00 H new ATOM 0 HE ARG B 60 4.164 -0.026 15.638 1.00 0.00 H new ATOM 0 HH11 ARG B 60 4.424 3.451 16.193 1.00 0.00 H new ATOM 0 HH12 ARG B 60 4.538 3.278 17.948 1.00 0.00 H new ATOM 0 HH21 ARG B 60 4.307 -0.240 17.888 1.00 0.00 H new ATOM 0 HH22 ARG B 60 4.472 1.196 18.903 1.00 0.00 H new ATOM 2416 N ASN B 61 1.282 -1.003 10.839 1.00 0.00 N ATOM 2417 CA ASN B 61 0.014 -1.714 10.923 1.00 0.00 C ATOM 2418 C ASN B 61 -0.972 -1.210 9.874 1.00 0.00 C ATOM 2419 O ASN B 61 -2.181 -1.190 10.104 1.00 0.00 O ATOM 2420 CB ASN B 61 -0.586 -1.557 12.321 1.00 0.00 C ATOM 2421 CG ASN B 61 -0.993 -2.885 12.928 1.00 0.00 C ATOM 2422 OD1 ASN B 61 -1.071 -3.027 14.148 1.00 0.00 O ATOM 2423 ND2 ASN B 61 -1.252 -3.867 12.074 1.00 0.00 N ATOM 0 H ASN B 61 1.294 -0.234 10.169 1.00 0.00 H new ATOM 0 HA ASN B 61 0.206 -2.769 10.730 1.00 0.00 H new ATOM 0 HB2 ASN B 61 0.140 -1.070 12.972 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -1.456 -0.903 12.268 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -1.529 -4.785 12.421 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -1.174 -3.704 11.070 1.00 0.00 H new ATOM 2430 N PHE B 62 -0.450 -0.803 8.720 1.00 0.00 N ATOM 2431 CA PHE B 62 -1.291 -0.301 7.640 1.00 0.00 C ATOM 2432 C PHE B 62 -1.469 -1.350 6.549 1.00 0.00 C ATOM 2433 O PHE B 62 -0.776 -2.367 6.527 1.00 0.00 O ATOM 2434 CB PHE B 62 -0.685 0.970 7.043 1.00 0.00 C ATOM 2435 CG PHE B 62 0.550 0.718 6.228 1.00 0.00 C ATOM 2436 CD1 PHE B 62 1.724 0.300 6.835 1.00 0.00 C ATOM 2437 CD2 PHE B 62 0.538 0.899 4.855 1.00 0.00 C ATOM 2438 CE1 PHE B 62 2.861 0.066 6.086 1.00 0.00 C ATOM 2439 CE2 PHE B 62 1.671 0.667 4.100 1.00 0.00 C ATOM 2440 CZ PHE B 62 2.835 0.250 4.717 1.00 0.00 C ATOM 0 H PHE B 62 0.548 -0.811 8.510 1.00 0.00 H new ATOM 0 HA PHE B 62 -2.271 -0.070 8.058 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -1.431 1.459 6.416 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -0.443 1.662 7.850 1.00 0.00 H new ATOM 0 HD1 PHE B 62 1.750 0.156 7.905 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -0.369 1.226 4.368 1.00 0.00 H new ATOM 0 HE1 PHE B 62 3.769 -0.261 6.570 1.00 0.00 H new ATOM 0 HE2 PHE B 62 1.647 0.811 3.030 1.00 0.00 H new ATOM 0 HZ PHE B 62 3.723 0.068 4.130 1.00 0.00 H new ATOM 2450 N GLY B 63 -2.404 -1.089 5.642 1.00 0.00 N ATOM 2451 CA GLY B 63 -2.665 -2.010 4.550 1.00 0.00 C ATOM 2452 C GLY B 63 -2.486 -1.353 3.196 1.00 0.00 C ATOM 2453 O GLY B 63 -3.456 -0.918 2.575 1.00 0.00 O ATOM 0 H GLY B 63 -2.988 -0.253 5.643 1.00 0.00 H new ATOM 0 HA2 GLY B 63 -1.994 -2.865 4.629 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -3.682 -2.394 4.635 1.00 0.00 H new ATOM 2457 N SER B 64 -1.240 -1.271 2.745 1.00 0.00 N ATOM 2458 CA SER B 64 -0.931 -0.653 1.461 1.00 0.00 C ATOM 2459 C SER B 64 -1.295 -1.573 0.301 1.00 0.00 C ATOM 2460 O SER B 64 -0.820 -2.706 0.218 1.00 0.00 O ATOM 2461 CB SER B 64 0.552 -0.284 1.395 1.00 0.00 C ATOM 2462 OG SER B 64 1.363 -1.348 1.866 1.00 0.00 O ATOM 0 H SER B 64 -0.427 -1.625 3.249 1.00 0.00 H new ATOM 0 HA SER B 64 -1.529 0.254 1.373 1.00 0.00 H new ATOM 0 HB2 SER B 64 0.825 -0.042 0.368 1.00 0.00 H new ATOM 0 HB3 SER B 64 0.735 0.609 1.992 1.00 0.00 H new ATOM 0 HG SER B 64 1.752 -1.104 2.732 1.00 0.00 H new ATOM 2468 N TYR B 65 -2.140 -1.073 -0.596 1.00 0.00 N ATOM 2469 CA TYR B 65 -2.570 -1.841 -1.760 1.00 0.00 C ATOM 2470 C TYR B 65 -2.516 -0.980 -3.018 1.00 0.00 C ATOM 2471 O TYR B 65 -3.550 -0.626 -3.586 1.00 0.00 O ATOM 2472 CB TYR B 65 -3.988 -2.373 -1.551 1.00 0.00 C ATOM 2473 CG TYR B 65 -4.302 -3.602 -2.373 1.00 0.00 C ATOM 2474 CD1 TYR B 65 -3.843 -4.855 -1.988 1.00 0.00 C ATOM 2475 CD2 TYR B 65 -5.059 -3.509 -3.535 1.00 0.00 C ATOM 2476 CE1 TYR B 65 -4.127 -5.981 -2.737 1.00 0.00 C ATOM 2477 CE2 TYR B 65 -5.348 -4.629 -4.289 1.00 0.00 C ATOM 2478 CZ TYR B 65 -4.881 -5.863 -3.886 1.00 0.00 C ATOM 2479 OH TYR B 65 -5.167 -6.981 -4.635 1.00 0.00 O ATOM 0 H TYR B 65 -2.541 -0.137 -0.539 1.00 0.00 H new ATOM 0 HA TYR B 65 -1.891 -2.685 -1.885 1.00 0.00 H new ATOM 0 HB2 TYR B 65 -4.127 -2.607 -0.496 1.00 0.00 H new ATOM 0 HB3 TYR B 65 -4.702 -1.588 -1.800 1.00 0.00 H new ATOM 0 HD1 TYR B 65 -3.254 -4.951 -1.088 1.00 0.00 H new ATOM 0 HD2 TYR B 65 -5.427 -2.545 -3.853 1.00 0.00 H new ATOM 0 HE1 TYR B 65 -3.761 -6.948 -2.425 1.00 0.00 H new ATOM 0 HE2 TYR B 65 -5.937 -4.539 -5.190 1.00 0.00 H new ATOM 0 HH TYR B 65 -6.029 -6.861 -5.086 1.00 0.00 H new ATOM 2489 N VAL B 66 -1.304 -0.640 -3.442 1.00 0.00 N ATOM 2490 CA VAL B 66 -1.112 0.185 -4.628 1.00 0.00 C ATOM 2491 C VAL B 66 -0.405 -0.588 -5.737 1.00 0.00 C ATOM 2492 O VAL B 66 0.381 -1.497 -5.472 1.00 0.00 O ATOM 2493 CB VAL B 66 -0.296 1.450 -4.297 1.00 0.00 C ATOM 2494 CG1 VAL B 66 -0.857 2.139 -3.063 1.00 0.00 C ATOM 2495 CG2 VAL B 66 1.173 1.104 -4.101 1.00 0.00 C ATOM 0 H VAL B 66 -0.439 -0.923 -2.981 1.00 0.00 H new ATOM 0 HA VAL B 66 -2.104 0.475 -4.975 1.00 0.00 H new ATOM 0 HB VAL B 66 -0.374 2.139 -5.138 1.00 0.00 H new ATOM 0 HG11 VAL B 66 -0.268 3.030 -2.844 1.00 0.00 H new ATOM 0 HG12 VAL B 66 -1.893 2.424 -3.245 1.00 0.00 H new ATOM 0 HG13 VAL B 66 -0.812 1.457 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL B 66 1.732 2.010 -3.868 1.00 0.00 H new ATOM 0 HG22 VAL B 66 1.273 0.395 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL B 66 1.567 0.659 -5.015 1.00 0.00 H new ATOM 2505 N THR B 67 -0.690 -0.215 -6.983 1.00 0.00 N ATOM 2506 CA THR B 67 -0.081 -0.867 -8.137 1.00 0.00 C ATOM 2507 C THR B 67 1.250 -0.212 -8.491 1.00 0.00 C ATOM 2508 O THR B 67 1.289 0.799 -9.193 1.00 0.00 O ATOM 2509 CB THR B 67 -1.023 -0.806 -9.340 1.00 0.00 C ATOM 2510 OG1 THR B 67 -2.122 -1.681 -9.162 1.00 0.00 O ATOM 2511 CG2 THR B 67 -0.350 -1.174 -10.645 1.00 0.00 C ATOM 0 H THR B 67 -1.339 0.536 -7.218 1.00 0.00 H new ATOM 0 HA THR B 67 0.102 -1.910 -7.878 1.00 0.00 H new ATOM 0 HB THR B 67 -1.351 0.232 -9.398 1.00 0.00 H new ATOM 0 HG1 THR B 67 -2.171 -2.302 -9.918 1.00 0.00 H new ATOM 0 HG21 THR B 67 -1.073 -1.111 -11.458 1.00 0.00 H new ATOM 0 HG22 THR B 67 0.473 -0.485 -10.837 1.00 0.00 H new ATOM 0 HG23 THR B 67 0.036 -2.191 -10.581 1.00 0.00 H new ATOM 2519 N HIS B 68 2.338 -0.793 -7.999 1.00 0.00 N ATOM 2520 CA HIS B 68 3.670 -0.264 -8.262 1.00 0.00 C ATOM 2521 C HIS B 68 3.986 -0.287 -9.755 1.00 0.00 C ATOM 2522 O HIS B 68 3.372 -1.033 -10.517 1.00 0.00 O ATOM 2523 CB HIS B 68 4.718 -1.070 -7.494 1.00 0.00 C ATOM 2524 CG HIS B 68 4.654 -2.543 -7.756 1.00 0.00 C ATOM 2525 ND1 HIS B 68 3.513 -3.293 -7.562 1.00 0.00 N ATOM 2526 CD2 HIS B 68 5.599 -3.407 -8.198 1.00 0.00 C ATOM 2527 CE1 HIS B 68 3.760 -4.554 -7.872 1.00 0.00 C ATOM 2528 NE2 HIS B 68 5.017 -4.649 -8.261 1.00 0.00 N ATOM 0 H HIS B 68 2.324 -1.630 -7.416 1.00 0.00 H new ATOM 0 HA HIS B 68 3.695 0.772 -7.924 1.00 0.00 H new ATOM 0 HB2 HIS B 68 5.710 -0.705 -7.759 1.00 0.00 H new ATOM 0 HB3 HIS B 68 4.589 -0.894 -6.426 1.00 0.00 H new ATOM 0 HD2 HIS B 68 6.620 -3.164 -8.453 1.00 0.00 H new ATOM 0 HE1 HIS B 68 3.053 -5.368 -7.816 1.00 0.00 H new ATOM 0 HE2 HIS B 68 5.481 -5.506 -8.560 1.00 0.00 H new ATOM 2537 N GLU B 69 4.948 0.537 -10.162 1.00 0.00 N ATOM 2538 CA GLU B 69 5.350 0.615 -11.562 1.00 0.00 C ATOM 2539 C GLU B 69 6.806 1.055 -11.679 1.00 0.00 C ATOM 2540 O GLU B 69 7.518 1.143 -10.678 1.00 0.00 O ATOM 2541 CB GLU B 69 4.445 1.588 -12.321 1.00 0.00 C ATOM 2542 CG GLU B 69 3.777 2.621 -11.429 1.00 0.00 C ATOM 2543 CD GLU B 69 2.375 2.967 -11.889 1.00 0.00 C ATOM 2544 OE1 GLU B 69 1.601 2.033 -12.187 1.00 0.00 O ATOM 2545 OE2 GLU B 69 2.051 4.171 -11.951 1.00 0.00 O ATOM 0 H GLU B 69 5.464 1.160 -9.541 1.00 0.00 H new ATOM 0 HA GLU B 69 5.250 -0.377 -12.003 1.00 0.00 H new ATOM 0 HB2 GLU B 69 5.035 2.103 -13.080 1.00 0.00 H new ATOM 0 HB3 GLU B 69 3.676 1.021 -12.845 1.00 0.00 H new ATOM 0 HG2 GLU B 69 3.738 2.243 -10.407 1.00 0.00 H new ATOM 0 HG3 GLU B 69 4.383 3.527 -11.410 1.00 0.00 H new ATOM 2552 N THR B 70 7.246 1.332 -12.903 1.00 0.00 N ATOM 2553 CA THR B 70 8.621 1.762 -13.134 1.00 0.00 C ATOM 2554 C THR B 70 9.600 0.791 -12.478 1.00 0.00 C ATOM 2555 O THR B 70 9.619 -0.396 -12.804 1.00 0.00 O ATOM 2556 CB THR B 70 8.828 3.176 -12.586 1.00 0.00 C ATOM 2557 OG1 THR B 70 7.848 4.061 -13.098 1.00 0.00 O ATOM 2558 CG2 THR B 70 10.187 3.755 -12.915 1.00 0.00 C ATOM 0 H THR B 70 6.674 1.267 -13.745 1.00 0.00 H new ATOM 0 HA THR B 70 8.809 1.770 -14.208 1.00 0.00 H new ATOM 0 HB THR B 70 8.746 3.079 -11.503 1.00 0.00 H new ATOM 0 HG1 THR B 70 7.993 4.189 -14.059 1.00 0.00 H new ATOM 0 HG21 THR B 70 10.266 4.758 -12.497 1.00 0.00 H new ATOM 0 HG22 THR B 70 10.965 3.122 -12.489 1.00 0.00 H new ATOM 0 HG23 THR B 70 10.310 3.802 -13.997 1.00 0.00 H new ATOM 2566 N LYS B 71 10.402 1.296 -11.545 1.00 0.00 N ATOM 2567 CA LYS B 71 11.367 0.462 -10.840 1.00 0.00 C ATOM 2568 C LYS B 71 10.653 -0.447 -9.853 1.00 0.00 C ATOM 2569 O LYS B 71 11.189 -0.783 -8.796 1.00 0.00 O ATOM 2570 CB LYS B 71 12.391 1.330 -10.107 1.00 0.00 C ATOM 2571 CG LYS B 71 13.150 2.276 -11.023 1.00 0.00 C ATOM 2572 CD LYS B 71 14.371 1.603 -11.629 1.00 0.00 C ATOM 2573 CE LYS B 71 15.008 2.470 -12.702 1.00 0.00 C ATOM 2574 NZ LYS B 71 16.291 1.895 -13.192 1.00 0.00 N ATOM 0 H LYS B 71 10.402 2.276 -11.261 1.00 0.00 H new ATOM 0 HA LYS B 71 11.892 -0.153 -11.572 1.00 0.00 H new ATOM 0 HB2 LYS B 71 11.880 1.912 -9.340 1.00 0.00 H new ATOM 0 HB3 LYS B 71 13.103 0.683 -9.595 1.00 0.00 H new ATOM 0 HG2 LYS B 71 12.490 2.621 -11.819 1.00 0.00 H new ATOM 0 HG3 LYS B 71 13.460 3.157 -10.462 1.00 0.00 H new ATOM 0 HD2 LYS B 71 15.100 1.396 -10.846 1.00 0.00 H new ATOM 0 HD3 LYS B 71 14.084 0.643 -12.058 1.00 0.00 H new ATOM 0 HE2 LYS B 71 14.317 2.580 -13.538 1.00 0.00 H new ATOM 0 HE3 LYS B 71 15.187 3.469 -12.303 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 16.693 2.516 -13.923 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 16.960 1.814 -12.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 16.117 0.953 -13.596 1.00 0.00 H new ATOM 2588 N HIS B 72 9.435 -0.839 -10.206 1.00 0.00 N ATOM 2589 CA HIS B 72 8.638 -1.706 -9.356 1.00 0.00 C ATOM 2590 C HIS B 72 8.361 -1.033 -8.018 1.00 0.00 C ATOM 2591 O HIS B 72 7.403 -0.273 -7.886 1.00 0.00 O ATOM 2592 CB HIS B 72 9.356 -3.038 -9.134 1.00 0.00 C ATOM 2593 CG HIS B 72 9.617 -3.797 -10.399 1.00 0.00 C ATOM 2594 ND1 HIS B 72 8.848 -4.867 -10.806 1.00 0.00 N ATOM 2595 CD2 HIS B 72 10.568 -3.635 -11.350 1.00 0.00 C ATOM 2596 CE1 HIS B 72 9.317 -5.332 -11.951 1.00 0.00 C ATOM 2597 NE2 HIS B 72 10.359 -4.602 -12.303 1.00 0.00 N ATOM 0 H HIS B 72 8.979 -0.568 -11.077 1.00 0.00 H new ATOM 0 HA HIS B 72 7.687 -1.897 -9.854 1.00 0.00 H new ATOM 0 HB2 HIS B 72 10.304 -2.850 -8.631 1.00 0.00 H new ATOM 0 HB3 HIS B 72 8.757 -3.657 -8.466 1.00 0.00 H new ATOM 0 HD2 HIS B 72 11.345 -2.885 -11.358 1.00 0.00 H new ATOM 0 HE1 HIS B 72 8.916 -6.168 -12.505 1.00 0.00 H new ATOM 0 HE2 HIS B 72 10.918 -4.734 -13.146 1.00 0.00 H new ATOM 2606 N PHE B 73 9.212 -1.314 -7.034 1.00 0.00 N ATOM 2607 CA PHE B 73 9.067 -0.737 -5.697 1.00 0.00 C ATOM 2608 C PHE B 73 9.815 -1.572 -4.662 1.00 0.00 C ATOM 2609 O PHE B 73 10.688 -2.369 -5.004 1.00 0.00 O ATOM 2610 CB PHE B 73 7.589 -0.654 -5.307 1.00 0.00 C ATOM 2611 CG PHE B 73 7.016 -1.967 -4.853 1.00 0.00 C ATOM 2612 CD1 PHE B 73 7.343 -3.144 -5.510 1.00 0.00 C ATOM 2613 CD2 PHE B 73 6.155 -2.027 -3.769 1.00 0.00 C ATOM 2614 CE1 PHE B 73 6.821 -4.354 -5.093 1.00 0.00 C ATOM 2615 CE2 PHE B 73 5.630 -3.234 -3.348 1.00 0.00 C ATOM 2616 CZ PHE B 73 5.964 -4.399 -4.012 1.00 0.00 C ATOM 0 H PHE B 73 10.011 -1.939 -7.136 1.00 0.00 H new ATOM 0 HA PHE B 73 9.492 0.266 -5.719 1.00 0.00 H new ATOM 0 HB2 PHE B 73 7.472 0.080 -4.510 1.00 0.00 H new ATOM 0 HB3 PHE B 73 7.016 -0.292 -6.160 1.00 0.00 H new ATOM 0 HD1 PHE B 73 8.013 -3.115 -6.357 1.00 0.00 H new ATOM 0 HD2 PHE B 73 5.891 -1.119 -3.247 1.00 0.00 H new ATOM 0 HE1 PHE B 73 7.084 -5.264 -5.613 1.00 0.00 H new ATOM 0 HE2 PHE B 73 4.960 -3.267 -2.502 1.00 0.00 H new ATOM 0 HZ PHE B 73 5.555 -5.344 -3.685 1.00 0.00 H new ATOM 2626 N ILE B 74 9.452 -1.393 -3.395 1.00 0.00 N ATOM 2627 CA ILE B 74 10.073 -2.138 -2.308 1.00 0.00 C ATOM 2628 C ILE B 74 9.252 -2.024 -1.026 1.00 0.00 C ATOM 2629 O ILE B 74 9.162 -0.956 -0.422 1.00 0.00 O ATOM 2630 CB ILE B 74 11.519 -1.670 -2.034 1.00 0.00 C ATOM 2631 CG1 ILE B 74 12.259 -2.742 -1.205 1.00 0.00 C ATOM 2632 CG2 ILE B 74 11.512 -0.308 -1.345 1.00 0.00 C ATOM 2633 CD1 ILE B 74 13.375 -2.226 -0.316 1.00 0.00 C ATOM 0 H ILE B 74 8.730 -0.737 -3.097 1.00 0.00 H new ATOM 0 HA ILE B 74 10.106 -3.180 -2.626 1.00 0.00 H new ATOM 0 HB ILE B 74 12.055 -1.548 -2.975 1.00 0.00 H new ATOM 0 HG12 ILE B 74 11.531 -3.260 -0.581 1.00 0.00 H new ATOM 0 HG13 ILE B 74 12.676 -3.481 -1.889 1.00 0.00 H new ATOM 0 HG21 ILE B 74 12.538 0.010 -1.158 1.00 0.00 H new ATOM 0 HG22 ILE B 74 11.017 0.422 -1.986 1.00 0.00 H new ATOM 0 HG23 ILE B 74 10.976 -0.382 -0.399 1.00 0.00 H new ATOM 0 HD11 ILE B 74 13.827 -3.060 0.221 1.00 0.00 H new ATOM 0 HD12 ILE B 74 14.131 -1.736 -0.929 1.00 0.00 H new ATOM 0 HD13 ILE B 74 12.969 -1.511 0.400 1.00 0.00 H new ATOM 2645 N TYR B 75 8.653 -3.137 -0.614 1.00 0.00 N ATOM 2646 CA TYR B 75 7.843 -3.161 0.598 1.00 0.00 C ATOM 2647 C TYR B 75 8.537 -3.964 1.691 1.00 0.00 C ATOM 2648 O TYR B 75 8.468 -5.192 1.710 1.00 0.00 O ATOM 2649 CB TYR B 75 6.461 -3.750 0.311 1.00 0.00 C ATOM 2650 CG TYR B 75 5.467 -3.511 1.424 1.00 0.00 C ATOM 2651 CD1 TYR B 75 5.332 -2.254 2.002 1.00 0.00 C ATOM 2652 CD2 TYR B 75 4.666 -4.541 1.901 1.00 0.00 C ATOM 2653 CE1 TYR B 75 4.429 -2.031 3.022 1.00 0.00 C ATOM 2654 CE2 TYR B 75 3.757 -4.325 2.921 1.00 0.00 C ATOM 2655 CZ TYR B 75 3.644 -3.067 3.478 1.00 0.00 C ATOM 2656 OH TYR B 75 2.744 -2.847 4.495 1.00 0.00 O ATOM 0 H TYR B 75 8.713 -4.032 -1.100 1.00 0.00 H new ATOM 0 HA TYR B 75 7.720 -2.135 0.944 1.00 0.00 H new ATOM 0 HB2 TYR B 75 6.074 -3.318 -0.612 1.00 0.00 H new ATOM 0 HB3 TYR B 75 6.558 -4.823 0.144 1.00 0.00 H new ATOM 0 HD1 TYR B 75 5.944 -1.438 1.647 1.00 0.00 H new ATOM 0 HD2 TYR B 75 4.754 -5.527 1.468 1.00 0.00 H new ATOM 0 HE1 TYR B 75 4.338 -1.048 3.461 1.00 0.00 H new ATOM 0 HE2 TYR B 75 3.140 -5.135 3.279 1.00 0.00 H new ATOM 0 HH TYR B 75 2.745 -1.896 4.733 1.00 0.00 H new ATOM 2666 N PHE B 76 9.209 -3.260 2.594 1.00 0.00 N ATOM 2667 CA PHE B 76 9.928 -3.904 3.689 1.00 0.00 C ATOM 2668 C PHE B 76 9.375 -3.474 5.044 1.00 0.00 C ATOM 2669 O PHE B 76 8.576 -2.541 5.136 1.00 0.00 O ATOM 2670 CB PHE B 76 11.417 -3.566 3.612 1.00 0.00 C ATOM 2671 CG PHE B 76 11.691 -2.112 3.359 1.00 0.00 C ATOM 2672 CD1 PHE B 76 11.483 -1.563 2.104 1.00 0.00 C ATOM 2673 CD2 PHE B 76 12.156 -1.294 4.375 1.00 0.00 C ATOM 2674 CE1 PHE B 76 11.734 -0.225 1.867 1.00 0.00 C ATOM 2675 CE2 PHE B 76 12.411 0.044 4.146 1.00 0.00 C ATOM 2676 CZ PHE B 76 12.199 0.579 2.889 1.00 0.00 C ATOM 0 H PHE B 76 9.272 -2.242 2.590 1.00 0.00 H new ATOM 0 HA PHE B 76 9.792 -4.981 3.589 1.00 0.00 H new ATOM 0 HB2 PHE B 76 11.897 -3.860 4.546 1.00 0.00 H new ATOM 0 HB3 PHE B 76 11.875 -4.157 2.818 1.00 0.00 H new ATOM 0 HD1 PHE B 76 11.120 -2.188 1.301 1.00 0.00 H new ATOM 0 HD2 PHE B 76 12.321 -1.707 5.359 1.00 0.00 H new ATOM 0 HE1 PHE B 76 11.567 0.191 0.885 1.00 0.00 H new ATOM 0 HE2 PHE B 76 12.775 0.671 4.947 1.00 0.00 H new ATOM 0 HZ PHE B 76 12.397 1.625 2.706 1.00 0.00 H new ATOM 2686 N TYR B 77 9.814 -4.160 6.094 1.00 0.00 N ATOM 2687 CA TYR B 77 9.376 -3.855 7.451 1.00 0.00 C ATOM 2688 C TYR B 77 10.573 -3.774 8.394 1.00 0.00 C ATOM 2689 O TYR B 77 11.243 -4.774 8.648 1.00 0.00 O ATOM 2690 CB TYR B 77 8.393 -4.919 7.942 1.00 0.00 C ATOM 2691 CG TYR B 77 7.804 -4.617 9.301 1.00 0.00 C ATOM 2692 CD1 TYR B 77 8.525 -4.862 10.463 1.00 0.00 C ATOM 2693 CD2 TYR B 77 6.525 -4.085 9.422 1.00 0.00 C ATOM 2694 CE1 TYR B 77 7.989 -4.585 11.707 1.00 0.00 C ATOM 2695 CE2 TYR B 77 5.983 -3.806 10.662 1.00 0.00 C ATOM 2696 CZ TYR B 77 6.719 -4.057 11.800 1.00 0.00 C ATOM 2697 OH TYR B 77 6.182 -3.780 13.036 1.00 0.00 O ATOM 0 H TYR B 77 10.475 -4.934 6.030 1.00 0.00 H new ATOM 0 HA TYR B 77 8.874 -2.888 7.441 1.00 0.00 H new ATOM 0 HB2 TYR B 77 7.584 -5.016 7.218 1.00 0.00 H new ATOM 0 HB3 TYR B 77 8.902 -5.882 7.982 1.00 0.00 H new ATOM 0 HD1 TYR B 77 9.520 -5.276 10.393 1.00 0.00 H new ATOM 0 HD2 TYR B 77 5.946 -3.887 8.532 1.00 0.00 H new ATOM 0 HE1 TYR B 77 8.562 -4.781 12.601 1.00 0.00 H new ATOM 0 HE2 TYR B 77 4.988 -3.393 10.739 1.00 0.00 H new ATOM 0 HH TYR B 77 5.280 -3.412 12.926 1.00 0.00 H new ATOM 2707 N LEU B 78 10.840 -2.575 8.906 1.00 0.00 N ATOM 2708 CA LEU B 78 11.961 -2.366 9.818 1.00 0.00 C ATOM 2709 C LEU B 78 11.688 -3.021 11.168 1.00 0.00 C ATOM 2710 O LEU B 78 10.571 -3.463 11.436 1.00 0.00 O ATOM 2711 CB LEU B 78 12.225 -0.868 10.012 1.00 0.00 C ATOM 2712 CG LEU B 78 12.856 -0.141 8.816 1.00 0.00 C ATOM 2713 CD1 LEU B 78 14.355 -0.389 8.765 1.00 0.00 C ATOM 2714 CD2 LEU B 78 12.198 -0.570 7.511 1.00 0.00 C ATOM 0 H LEU B 78 10.297 -1.735 8.705 1.00 0.00 H new ATOM 0 HA LEU B 78 12.844 -2.827 9.376 1.00 0.00 H new ATOM 0 HB2 LEU B 78 11.281 -0.380 10.253 1.00 0.00 H new ATOM 0 HB3 LEU B 78 12.878 -0.742 10.876 1.00 0.00 H new ATOM 0 HG LEU B 78 12.689 0.928 8.946 1.00 0.00 H new ATOM 0 HD11 LEU B 78 14.782 0.135 7.910 1.00 0.00 H new ATOM 0 HD12 LEU B 78 14.816 -0.023 9.682 1.00 0.00 H new ATOM 0 HD13 LEU B 78 14.544 -1.458 8.666 1.00 0.00 H new ATOM 0 HD21 LEU B 78 12.662 -0.041 6.678 1.00 0.00 H new ATOM 0 HD22 LEU B 78 12.325 -1.644 7.375 1.00 0.00 H new ATOM 0 HD23 LEU B 78 11.135 -0.332 7.544 1.00 0.00 H new ATOM 2726 N GLY B 79 12.718 -3.079 12.010 1.00 0.00 N ATOM 2727 CA GLY B 79 12.580 -3.683 13.326 1.00 0.00 C ATOM 2728 C GLY B 79 11.153 -3.666 13.846 1.00 0.00 C ATOM 2729 O GLY B 79 10.651 -4.682 14.327 1.00 0.00 O ATOM 0 H GLY B 79 13.649 -2.717 11.803 1.00 0.00 H new ATOM 0 HA2 GLY B 79 12.932 -4.714 13.284 1.00 0.00 H new ATOM 0 HA3 GLY B 79 13.223 -3.155 14.030 1.00 0.00 H new ATOM 2733 N GLN B 80 10.498 -2.512 13.753 1.00 0.00 N ATOM 2734 CA GLN B 80 9.121 -2.375 14.222 1.00 0.00 C ATOM 2735 C GLN B 80 8.334 -1.404 13.344 1.00 0.00 C ATOM 2736 O GLN B 80 7.411 -0.739 13.815 1.00 0.00 O ATOM 2737 CB GLN B 80 9.097 -1.894 15.674 1.00 0.00 C ATOM 2738 CG GLN B 80 10.068 -2.634 16.581 1.00 0.00 C ATOM 2739 CD GLN B 80 9.383 -3.251 17.784 1.00 0.00 C ATOM 2740 OE1 GLN B 80 8.424 -2.697 18.320 1.00 0.00 O ATOM 2741 NE2 GLN B 80 9.874 -4.408 18.217 1.00 0.00 N ATOM 0 H GLN B 80 10.897 -1.660 13.358 1.00 0.00 H new ATOM 0 HA GLN B 80 8.650 -3.356 14.161 1.00 0.00 H new ATOM 0 HB2 GLN B 80 9.331 -0.830 15.698 1.00 0.00 H new ATOM 0 HB3 GLN B 80 8.087 -2.008 16.068 1.00 0.00 H new ATOM 0 HG2 GLN B 80 10.568 -3.417 16.011 1.00 0.00 H new ATOM 0 HG3 GLN B 80 10.840 -1.944 16.921 1.00 0.00 H new ATOM 0 HE21 GLN B 80 10.671 -4.833 17.743 1.00 0.00 H new ATOM 0 HE22 GLN B 80 9.454 -4.871 19.023 1.00 0.00 H new ATOM 2750 N VAL B 81 8.703 -1.327 12.070 1.00 0.00 N ATOM 2751 CA VAL B 81 8.028 -0.435 11.133 1.00 0.00 C ATOM 2752 C VAL B 81 7.926 -1.063 9.746 1.00 0.00 C ATOM 2753 O VAL B 81 8.537 -2.096 9.476 1.00 0.00 O ATOM 2754 CB VAL B 81 8.758 0.917 11.026 1.00 0.00 C ATOM 2755 CG1 VAL B 81 8.101 1.803 9.978 1.00 0.00 C ATOM 2756 CG2 VAL B 81 8.788 1.613 12.377 1.00 0.00 C ATOM 0 H VAL B 81 9.464 -1.870 11.663 1.00 0.00 H new ATOM 0 HA VAL B 81 7.023 -0.267 11.521 1.00 0.00 H new ATOM 0 HB VAL B 81 9.785 0.729 10.714 1.00 0.00 H new ATOM 0 HG11 VAL B 81 8.633 2.753 9.919 1.00 0.00 H new ATOM 0 HG12 VAL B 81 8.136 1.307 9.008 1.00 0.00 H new ATOM 0 HG13 VAL B 81 7.063 1.985 10.255 1.00 0.00 H new ATOM 0 HG21 VAL B 81 9.307 2.567 12.284 1.00 0.00 H new ATOM 0 HG22 VAL B 81 7.768 1.787 12.719 1.00 0.00 H new ATOM 0 HG23 VAL B 81 9.310 0.985 13.098 1.00 0.00 H new ATOM 2766 N ALA B 82 7.154 -0.429 8.869 1.00 0.00 N ATOM 2767 CA ALA B 82 6.972 -0.921 7.509 1.00 0.00 C ATOM 2768 C ALA B 82 7.035 0.228 6.512 1.00 0.00 C ATOM 2769 O ALA B 82 6.316 1.217 6.647 1.00 0.00 O ATOM 2770 CB ALA B 82 5.649 -1.662 7.387 1.00 0.00 C ATOM 0 H ALA B 82 6.643 0.429 9.077 1.00 0.00 H new ATOM 0 HA ALA B 82 7.780 -1.616 7.282 1.00 0.00 H new ATOM 0 HB1 ALA B 82 5.527 -2.023 6.366 1.00 0.00 H new ATOM 0 HB2 ALA B 82 5.641 -2.508 8.075 1.00 0.00 H new ATOM 0 HB3 ALA B 82 4.830 -0.987 7.633 1.00 0.00 H new ATOM 2776 N ILE B 83 7.904 0.099 5.518 1.00 0.00 N ATOM 2777 CA ILE B 83 8.059 1.142 4.513 1.00 0.00 C ATOM 2778 C ILE B 83 7.626 0.666 3.130 1.00 0.00 C ATOM 2779 O ILE B 83 8.130 -0.334 2.613 1.00 0.00 O ATOM 2780 CB ILE B 83 9.513 1.646 4.440 1.00 0.00 C ATOM 2781 CG1 ILE B 83 10.264 1.313 5.735 1.00 0.00 C ATOM 2782 CG2 ILE B 83 9.534 3.143 4.173 1.00 0.00 C ATOM 2783 CD1 ILE B 83 9.843 2.158 6.921 1.00 0.00 C ATOM 0 H ILE B 83 8.509 -0.712 5.386 1.00 0.00 H new ATOM 0 HA ILE B 83 7.411 1.962 4.822 1.00 0.00 H new ATOM 0 HB ILE B 83 10.019 1.140 3.617 1.00 0.00 H new ATOM 0 HG12 ILE B 83 10.106 0.262 5.976 1.00 0.00 H new ATOM 0 HG13 ILE B 83 11.333 1.445 5.568 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.566 3.489 4.123 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.036 3.351 3.226 1.00 0.00 H new ATOM 0 HG23 ILE B 83 9.015 3.663 4.978 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.418 1.864 7.799 1.00 0.00 H new ATOM 0 HD12 ILE B 83 10.027 3.210 6.702 1.00 0.00 H new ATOM 0 HD13 ILE B 83 8.781 2.008 7.116 1.00 0.00 H new ATOM 2795 N LEU B 84 6.691 1.403 2.538 1.00 0.00 N ATOM 2796 CA LEU B 84 6.175 1.087 1.213 1.00 0.00 C ATOM 2797 C LEU B 84 6.713 2.087 0.189 1.00 0.00 C ATOM 2798 O LEU B 84 6.145 3.161 0.001 1.00 0.00 O ATOM 2799 CB LEU B 84 4.639 1.105 1.236 1.00 0.00 C ATOM 2800 CG LEU B 84 3.958 1.654 -0.020 1.00 0.00 C ATOM 2801 CD1 LEU B 84 3.886 0.583 -1.096 1.00 0.00 C ATOM 2802 CD2 LEU B 84 2.566 2.173 0.313 1.00 0.00 C ATOM 0 H LEU B 84 6.273 2.231 2.961 1.00 0.00 H new ATOM 0 HA LEU B 84 6.507 0.090 0.925 1.00 0.00 H new ATOM 0 HB2 LEU B 84 4.285 0.087 1.402 1.00 0.00 H new ATOM 0 HB3 LEU B 84 4.315 1.699 2.091 1.00 0.00 H new ATOM 0 HG LEU B 84 4.552 2.485 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU B 84 3.399 0.990 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU B 84 4.894 0.257 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU B 84 3.313 -0.267 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU B 84 2.096 2.560 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU B 84 1.962 1.361 0.717 1.00 0.00 H new ATOM 0 HD23 LEU B 84 2.642 2.971 1.052 1.00 0.00 H new ATOM 2814 N LEU B 85 7.816 1.728 -0.462 1.00 0.00 N ATOM 2815 CA LEU B 85 8.436 2.599 -1.455 1.00 0.00 C ATOM 2816 C LEU B 85 8.074 2.169 -2.870 1.00 0.00 C ATOM 2817 O LEU B 85 8.325 1.032 -3.267 1.00 0.00 O ATOM 2818 CB LEU B 85 9.954 2.593 -1.287 1.00 0.00 C ATOM 2819 CG LEU B 85 10.580 3.960 -1.015 1.00 0.00 C ATOM 2820 CD1 LEU B 85 10.347 4.370 0.429 1.00 0.00 C ATOM 2821 CD2 LEU B 85 12.068 3.939 -1.332 1.00 0.00 C ATOM 0 H LEU B 85 8.298 0.841 -0.320 1.00 0.00 H new ATOM 0 HA LEU B 85 8.057 3.609 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU B 85 10.211 1.923 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU B 85 10.403 2.178 -2.190 1.00 0.00 H new ATOM 0 HG LEU B 85 10.103 4.694 -1.664 1.00 0.00 H new ATOM 0 HD11 LEU B 85 10.799 5.346 0.608 1.00 0.00 H new ATOM 0 HD12 LEU B 85 9.276 4.425 0.623 1.00 0.00 H new ATOM 0 HD13 LEU B 85 10.799 3.634 1.094 1.00 0.00 H new ATOM 0 HD21 LEU B 85 12.496 4.921 -1.132 1.00 0.00 H new ATOM 0 HD22 LEU B 85 12.562 3.194 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU B 85 12.213 3.687 -2.383 1.00 0.00 H new ATOM 2833 N PHE B 86 7.487 3.089 -3.627 1.00 0.00 N ATOM 2834 CA PHE B 86 7.094 2.802 -5.003 1.00 0.00 C ATOM 2835 C PHE B 86 6.816 4.089 -5.782 1.00 0.00 C ATOM 2836 O PHE B 86 5.878 4.822 -5.474 1.00 0.00 O ATOM 2837 CB PHE B 86 5.862 1.893 -5.021 1.00 0.00 C ATOM 2838 CG PHE B 86 4.570 2.614 -4.764 1.00 0.00 C ATOM 2839 CD1 PHE B 86 4.126 2.827 -3.468 1.00 0.00 C ATOM 2840 CD2 PHE B 86 3.796 3.075 -5.816 1.00 0.00 C ATOM 2841 CE1 PHE B 86 2.936 3.487 -3.228 1.00 0.00 C ATOM 2842 CE2 PHE B 86 2.605 3.735 -5.582 1.00 0.00 C ATOM 2843 CZ PHE B 86 2.174 3.941 -4.287 1.00 0.00 C ATOM 0 H PHE B 86 7.273 4.036 -3.314 1.00 0.00 H new ATOM 0 HA PHE B 86 7.923 2.289 -5.491 1.00 0.00 H new ATOM 0 HB2 PHE B 86 5.803 1.396 -5.990 1.00 0.00 H new ATOM 0 HB3 PHE B 86 5.987 1.113 -4.270 1.00 0.00 H new ATOM 0 HD1 PHE B 86 4.717 2.473 -2.636 1.00 0.00 H new ATOM 0 HD2 PHE B 86 4.127 2.917 -6.832 1.00 0.00 H new ATOM 0 HE1 PHE B 86 2.602 3.648 -2.214 1.00 0.00 H new ATOM 0 HE2 PHE B 86 2.012 4.090 -6.412 1.00 0.00 H new ATOM 0 HZ PHE B 86 1.243 4.456 -4.102 1.00 0.00 H new ATOM 2853 N LYS B 87 7.637 4.349 -6.797 1.00 0.00 N ATOM 2854 CA LYS B 87 7.486 5.541 -7.631 1.00 0.00 C ATOM 2855 C LYS B 87 6.894 5.177 -8.989 1.00 0.00 C ATOM 2856 O LYS B 87 6.976 4.028 -9.424 1.00 0.00 O ATOM 2857 CB LYS B 87 8.838 6.232 -7.819 1.00 0.00 C ATOM 2858 CG LYS B 87 9.950 5.285 -8.236 1.00 0.00 C ATOM 2859 CD LYS B 87 11.108 6.035 -8.875 1.00 0.00 C ATOM 2860 CE LYS B 87 10.815 6.380 -10.326 1.00 0.00 C ATOM 2861 NZ LYS B 87 12.040 6.310 -11.171 1.00 0.00 N ATOM 0 H LYS B 87 8.417 3.748 -7.063 1.00 0.00 H new ATOM 0 HA LYS B 87 6.804 6.226 -7.127 1.00 0.00 H new ATOM 0 HB2 LYS B 87 8.736 7.014 -8.572 1.00 0.00 H new ATOM 0 HB3 LYS B 87 9.119 6.722 -6.887 1.00 0.00 H new ATOM 0 HG2 LYS B 87 10.307 4.735 -7.365 1.00 0.00 H new ATOM 0 HG3 LYS B 87 9.559 4.550 -8.939 1.00 0.00 H new ATOM 0 HD2 LYS B 87 11.304 6.949 -8.315 1.00 0.00 H new ATOM 0 HD3 LYS B 87 12.011 5.427 -8.820 1.00 0.00 H new ATOM 0 HE2 LYS B 87 10.064 5.694 -10.718 1.00 0.00 H new ATOM 0 HE3 LYS B 87 10.392 7.383 -10.383 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 11.968 7.002 -11.944 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 12.875 6.526 -10.590 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 12.133 5.354 -11.569 1.00 0.00 H new ATOM 2875 N SER B 88 6.300 6.161 -9.656 1.00 0.00 N ATOM 2876 CA SER B 88 5.695 5.939 -10.965 1.00 0.00 C ATOM 2877 C SER B 88 6.662 6.308 -12.078 1.00 0.00 C ATOM 2878 O SER B 88 6.263 6.539 -13.220 1.00 0.00 O ATOM 2879 CB SER B 88 4.413 6.754 -11.103 1.00 0.00 C ATOM 2880 OG SER B 88 3.268 5.923 -11.039 1.00 0.00 O ATOM 0 H SER B 88 6.224 7.119 -9.313 1.00 0.00 H new ATOM 0 HA SER B 88 5.455 4.879 -11.050 1.00 0.00 H new ATOM 0 HB2 SER B 88 4.367 7.502 -10.311 1.00 0.00 H new ATOM 0 HB3 SER B 88 4.422 7.293 -12.050 1.00 0.00 H new ATOM 0 HG SER B 88 3.295 5.272 -11.771 1.00 0.00 H new ATOM 2886 N GLY B 89 7.935 6.361 -11.728 1.00 0.00 N ATOM 2887 CA GLY B 89 8.964 6.701 -12.693 1.00 0.00 C ATOM 2888 C GLY B 89 8.889 8.150 -13.134 1.00 0.00 C ATOM 2889 O GLY B 89 9.542 9.000 -12.493 1.00 0.00 O ATOM 2890 OXT GLY B 89 8.177 8.434 -14.120 1.00 0.00 O ATOM 0 H GLY B 89 8.279 6.174 -10.786 1.00 0.00 H new ATOM 0 HA2 GLY B 89 9.944 6.507 -12.258 1.00 0.00 H new ATOM 0 HA3 GLY B 89 8.869 6.054 -13.565 1.00 0.00 H new