USER MOD reduce.3.24.130724 H: found=0, std=0, add=1185, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1185 hydrogens (30 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 32 LYS NZ :NH3+ -153:sc= 0.915 (180deg=0.482) USER MOD Set 1.2: C 50 HIS : no HD1:sc= -1.88 K(o=-0.97,f=-3.5!) USER MOD Set 2.1: B 1 FME CE :methyl -136:sc= -0.115 (180deg=-2.15!) USER MOD Set 2.2: C 42 THR OG1 : rot -174:sc= 1.09 USER MOD Set 3.1: A 50 HIS : no HD1:sc= -1.73 K(o=-0.82,f=-3.4!) USER MOD Set 3.2: C 32 LYS NZ :NH3+ -153:sc= 0.917 (180deg=0.445) USER MOD Set 4.1: A 42 THR OG1 : rot -172:sc= 1.1 USER MOD Set 4.2: C 1 FME CE :methyl -137:sc= -0.0959 (180deg=-1.97) USER MOD Set 5.1: A 32 LYS NZ :NH3+ -151:sc= 0.843 (180deg=0.366) USER MOD Set 5.2: B 50 HIS : no HD1:sc= -1.54 K(o=-0.69,f=-3.3!) USER MOD Set 6.1: A 1 FME CE :methyl -138:sc= -0.108 (180deg=-2.11!) USER MOD Set 6.2: B 42 THR OG1 : rot -173:sc= 1.19 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 160:sc= -0.908 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.56) USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= 2.35 (180deg=1.87) USER MOD Single : A 52 ASN :FLIP amide:sc= -1.23 F(o=-2,f=-1.2) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 1.15 (180deg=1.15) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0163) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 37 THR OG1 : rot 160:sc= -0.99 USER MOD Single : B 39 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : B 41 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.66) USER MOD Single : B 49 LYS NZ :NH3+ -161:sc= 2.34 (180deg=1.98) USER MOD Single : B 52 ASN :FLIP amide:sc= -0.851 F(o=-1.5,f=-0.85) USER MOD Single : B 53 LYS NZ :NH3+ -158:sc= 1.16 (180deg=0.945) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 14 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00435) USER MOD Single : C 24 THR OG1 : rot 180:sc= 0 USER MOD Single : C 30 SER OG : rot 180:sc= 0 USER MOD Single : C 37 THR OG1 : rot -166:sc= -0.72 USER MOD Single : C 39 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : C 41 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.68) USER MOD Single : C 49 LYS NZ :NH3+ -156:sc= 1.91 (180deg=1.55) USER MOD Single : C 52 ASN :FLIP amide:sc= -1.22 F(o=-2.1,f=-1.2) USER MOD Single : C 53 LYS NZ :NH3+ -157:sc= 1.19 (180deg=0.996) USER MOD ----------------------------------------------------------------- HETATM 1 N FME A 1 1.569 -11.969 12.605 1.00 0.00 N HETATM 2 CN FME A 1 2.761 -11.442 12.368 1.00 0.00 C HETATM 3 O1 FME A 1 3.801 -11.992 12.725 1.00 0.00 O HETATM 4 CA FME A 1 0.355 -11.303 12.157 1.00 0.00 C HETATM 5 CB FME A 1 -0.616 -12.309 11.531 1.00 0.00 C HETATM 6 CG FME A 1 -1.959 -11.703 11.153 1.00 0.00 C HETATM 7 SD FME A 1 -2.939 -12.765 10.075 1.00 0.00 S HETATM 8 CE FME A 1 -1.966 -12.694 8.569 1.00 0.00 C HETATM 9 C FME A 1 -0.321 -10.567 13.308 1.00 0.00 C HETATM 10 O FME A 1 -0.999 -11.170 14.139 1.00 0.00 O HETATM 0 HG3 FME A 1 -2.525 -11.496 12.061 1.00 0.00 H new HETATM 0 HG2 FME A 1 -1.792 -10.747 10.657 1.00 0.00 H new HETATM 0 HE3 FME A 1 -2.631 -12.597 7.711 1.00 0.00 H new HETATM 0 HE2 FME A 1 -1.297 -11.835 8.608 1.00 0.00 H new HETATM 0 HE1 FME A 1 -1.379 -13.607 8.472 1.00 0.00 H new HETATM 0 HCN FME A 1 2.822 -10.491 11.840 1.00 0.00 H new HETATM 0 HB3 FME A 1 -0.157 -12.739 10.641 1.00 0.00 H new HETATM 0 HB2 FME A 1 -0.780 -13.128 12.232 1.00 0.00 H new HETATM 0 HA FME A 1 0.637 -10.572 11.399 1.00 0.00 H new HETATM 0 H FME A 1 1.501 -12.854 13.108 1.00 0.00 H new ATOM 21 N VAL A 2 -0.122 -9.258 13.346 1.00 0.00 N ATOM 22 CA VAL A 2 -0.758 -8.411 14.347 1.00 0.00 C ATOM 23 C VAL A 2 -1.870 -7.597 13.702 1.00 0.00 C ATOM 24 O VAL A 2 -2.411 -6.662 14.289 1.00 0.00 O ATOM 25 CB VAL A 2 0.263 -7.467 15.010 1.00 0.00 C ATOM 26 CG1 VAL A 2 1.345 -8.280 15.696 1.00 0.00 C ATOM 27 CG2 VAL A 2 0.875 -6.518 13.987 1.00 0.00 C ATOM 0 H VAL A 2 0.478 -8.756 12.692 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.177 -9.055 15.120 1.00 0.00 H new ATOM 0 HB VAL A 2 -0.256 -6.864 15.755 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.064 -7.607 16.163 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.894 -8.916 16.458 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.855 -8.902 14.960 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.592 -5.863 14.482 1.00 0.00 H new ATOM 0 HG22 VAL A 2 1.383 -7.095 13.214 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.088 -5.917 13.532 1.00 0.00 H new ATOM 37 N ILE A 3 -2.199 -7.981 12.483 1.00 0.00 N ATOM 38 CA ILE A 3 -3.226 -7.309 11.707 1.00 0.00 C ATOM 39 C ILE A 3 -3.849 -8.294 10.723 1.00 0.00 C ATOM 40 O ILE A 3 -3.138 -9.062 10.076 1.00 0.00 O ATOM 41 CB ILE A 3 -2.649 -6.084 10.949 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.765 -5.312 10.240 1.00 0.00 C ATOM 43 CG2 ILE A 3 -1.573 -6.510 9.952 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.290 -4.035 9.582 1.00 0.00 C ATOM 0 H ILE A 3 -1.762 -8.767 12.002 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.992 -6.944 12.391 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.186 -5.424 11.683 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.217 -5.954 9.484 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.545 -5.071 10.962 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.187 -5.631 9.436 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.760 -7.005 10.483 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.003 -7.198 9.225 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.132 -3.540 9.099 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.864 -3.374 10.336 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.531 -4.271 8.836 1.00 0.00 H new ATOM 56 N ALA A 4 -5.169 -8.301 10.636 1.00 0.00 N ATOM 57 CA ALA A 4 -5.853 -9.212 9.736 1.00 0.00 C ATOM 58 C ALA A 4 -6.699 -8.452 8.725 1.00 0.00 C ATOM 59 O ALA A 4 -7.005 -7.274 8.918 1.00 0.00 O ATOM 60 CB ALA A 4 -6.709 -10.196 10.518 1.00 0.00 C ATOM 0 H ALA A 4 -5.784 -7.690 11.174 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.096 -9.773 9.187 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -7.213 -10.870 9.825 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.076 -10.774 11.191 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.452 -9.650 11.099 1.00 0.00 H new ATOM 66 N THR A 5 -7.072 -9.133 7.651 1.00 0.00 N ATOM 67 CA THR A 5 -7.881 -8.541 6.593 1.00 0.00 C ATOM 68 C THR A 5 -9.210 -8.012 7.135 1.00 0.00 C ATOM 69 O THR A 5 -9.737 -7.017 6.648 1.00 0.00 O ATOM 70 CB THR A 5 -8.157 -9.582 5.487 1.00 0.00 C ATOM 71 OG1 THR A 5 -6.916 -10.088 4.977 1.00 0.00 O ATOM 72 CG2 THR A 5 -8.977 -8.990 4.349 1.00 0.00 C ATOM 0 H THR A 5 -6.824 -10.109 7.488 1.00 0.00 H new ATOM 0 HA THR A 5 -7.320 -7.704 6.178 1.00 0.00 H new ATOM 0 HB THR A 5 -8.735 -10.394 5.929 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.096 -10.750 4.277 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.151 -9.753 3.590 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.934 -8.638 4.735 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.435 -8.155 3.906 1.00 0.00 H new ATOM 80 N ASP A 6 -9.696 -8.630 8.202 1.00 0.00 N ATOM 81 CA ASP A 6 -11.055 -8.393 8.672 1.00 0.00 C ATOM 82 C ASP A 6 -11.162 -7.129 9.516 1.00 0.00 C ATOM 83 O ASP A 6 -12.252 -6.769 9.965 1.00 0.00 O ATOM 84 CB ASP A 6 -11.541 -9.588 9.493 1.00 0.00 C ATOM 85 CG ASP A 6 -11.612 -10.861 8.678 1.00 0.00 C ATOM 86 OD1 ASP A 6 -12.669 -11.123 8.071 1.00 0.00 O ATOM 87 OD2 ASP A 6 -10.610 -11.612 8.648 1.00 0.00 O ATOM 0 H ASP A 6 -9.169 -9.301 8.760 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.681 -8.261 7.789 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.871 -9.739 10.340 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.527 -9.367 9.902 1.00 0.00 H new ATOM 92 N ASP A 7 -10.047 -6.452 9.744 1.00 0.00 N ATOM 93 CA ASP A 7 -10.079 -5.207 10.503 1.00 0.00 C ATOM 94 C ASP A 7 -9.989 -3.996 9.580 1.00 0.00 C ATOM 95 O ASP A 7 -10.395 -2.893 9.949 1.00 0.00 O ATOM 96 CB ASP A 7 -8.920 -5.166 11.506 1.00 0.00 C ATOM 97 CG ASP A 7 -8.918 -6.343 12.464 1.00 0.00 C ATOM 98 OD1 ASP A 7 -9.557 -6.250 13.535 1.00 0.00 O ATOM 99 OD2 ASP A 7 -8.265 -7.364 12.159 1.00 0.00 O ATOM 0 H ASP A 7 -9.122 -6.736 9.421 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.028 -5.170 11.038 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.976 -5.148 10.961 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.975 -4.240 12.078 1.00 0.00 H new ATOM 104 N LEU A 8 -9.470 -4.199 8.377 1.00 0.00 N ATOM 105 CA LEU A 8 -9.330 -3.101 7.423 1.00 0.00 C ATOM 106 C LEU A 8 -10.228 -3.299 6.215 1.00 0.00 C ATOM 107 O LEU A 8 -10.522 -2.349 5.486 1.00 0.00 O ATOM 108 CB LEU A 8 -7.877 -2.933 6.979 1.00 0.00 C ATOM 109 CG LEU A 8 -6.976 -2.208 7.981 1.00 0.00 C ATOM 110 CD1 LEU A 8 -6.694 -3.076 9.196 1.00 0.00 C ATOM 111 CD2 LEU A 8 -5.682 -1.780 7.315 1.00 0.00 C ATOM 0 H LEU A 8 -9.141 -5.103 8.038 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.641 -2.190 7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.456 -3.919 6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.861 -2.386 6.037 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.501 -1.317 8.325 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.051 -2.533 9.890 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.633 -3.326 9.691 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.195 -3.992 8.881 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.052 -1.266 8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.159 -2.659 6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.904 -1.107 6.487 1.00 0.00 H new ATOM 123 N GLU A 9 -10.668 -4.528 6.016 1.00 0.00 N ATOM 124 CA GLU A 9 -11.592 -4.845 4.947 1.00 0.00 C ATOM 125 C GLU A 9 -12.754 -5.649 5.500 1.00 0.00 C ATOM 126 O GLU A 9 -12.570 -6.592 6.270 1.00 0.00 O ATOM 127 CB GLU A 9 -10.905 -5.606 3.807 1.00 0.00 C ATOM 128 CG GLU A 9 -9.837 -4.789 3.098 1.00 0.00 C ATOM 129 CD GLU A 9 -9.269 -5.478 1.875 1.00 0.00 C ATOM 130 OE1 GLU A 9 -8.657 -6.559 2.013 1.00 0.00 O ATOM 131 OE2 GLU A 9 -9.416 -4.923 0.766 1.00 0.00 O ATOM 0 H GLU A 9 -10.396 -5.328 6.587 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.964 -3.909 4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.453 -6.514 4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.657 -5.916 3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.261 -3.829 2.802 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.027 -4.578 3.797 1.00 0.00 H new ATOM 138 N VAL A 10 -13.946 -5.256 5.118 1.00 0.00 N ATOM 139 CA VAL A 10 -15.153 -5.901 5.579 1.00 0.00 C ATOM 140 C VAL A 10 -15.992 -6.293 4.376 1.00 0.00 C ATOM 141 O VAL A 10 -16.062 -5.555 3.389 1.00 0.00 O ATOM 142 CB VAL A 10 -15.957 -4.978 6.533 1.00 0.00 C ATOM 143 CG1 VAL A 10 -16.327 -3.668 5.854 1.00 0.00 C ATOM 144 CG2 VAL A 10 -17.201 -5.682 7.056 1.00 0.00 C ATOM 0 H VAL A 10 -14.107 -4.479 4.478 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.885 -6.793 6.145 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.315 -4.746 7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.889 -3.044 6.549 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -15.419 -3.146 5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -16.938 -3.874 4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -17.745 -5.012 7.722 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -17.841 -5.960 6.219 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.909 -6.579 7.603 1.00 0.00 H new ATOM 154 N ALA A 11 -16.593 -7.467 4.438 1.00 0.00 N ATOM 155 CA ALA A 11 -17.395 -7.968 3.343 1.00 0.00 C ATOM 156 C ALA A 11 -18.626 -7.095 3.137 1.00 0.00 C ATOM 157 O ALA A 11 -19.255 -6.655 4.102 1.00 0.00 O ATOM 158 CB ALA A 11 -17.781 -9.410 3.635 1.00 0.00 C ATOM 0 H ALA A 11 -16.539 -8.093 5.242 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.818 -7.936 2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.386 -9.798 2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -16.880 -10.014 3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.354 -9.453 4.561 1.00 0.00 H new ATOM 164 N CYS A 12 -18.943 -6.828 1.869 1.00 0.00 N ATOM 165 CA CYS A 12 -19.986 -5.886 1.484 1.00 0.00 C ATOM 166 C CYS A 12 -21.371 -6.182 2.061 1.00 0.00 C ATOM 167 O CYS A 12 -21.624 -7.264 2.587 1.00 0.00 O ATOM 168 CB CYS A 12 -20.105 -5.857 -0.034 1.00 0.00 C ATOM 169 SG CYS A 12 -18.938 -4.747 -0.830 1.00 0.00 S ATOM 0 H CYS A 12 -18.476 -7.266 1.075 1.00 0.00 H new ATOM 0 HA CYS A 12 -19.673 -4.928 1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -19.955 -6.865 -0.420 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -21.118 -5.559 -0.304 1.00 0.00 H new ATOM 174 N PRO A 13 -22.296 -5.202 1.947 1.00 0.00 N ATOM 175 CA PRO A 13 -23.714 -5.397 2.278 1.00 0.00 C ATOM 176 C PRO A 13 -24.313 -6.626 1.601 1.00 0.00 C ATOM 177 O PRO A 13 -25.117 -7.351 2.184 1.00 0.00 O ATOM 178 CB PRO A 13 -24.359 -4.135 1.702 1.00 0.00 C ATOM 179 CG PRO A 13 -23.317 -3.088 1.829 1.00 0.00 C ATOM 180 CD PRO A 13 -22.021 -3.800 1.541 1.00 0.00 C ATOM 0 HA PRO A 13 -23.868 -5.552 3.346 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.651 -4.279 0.662 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -25.261 -3.865 2.252 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -23.486 -2.274 1.125 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -23.315 -2.651 2.827 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.752 -3.733 0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -21.194 -3.373 2.108 1.00 0.00 H new ATOM 188 N LYS A 14 -23.881 -6.871 0.369 1.00 0.00 N ATOM 189 CA LYS A 14 -24.569 -7.815 -0.491 1.00 0.00 C ATOM 190 C LYS A 14 -23.632 -8.566 -1.437 1.00 0.00 C ATOM 191 O LYS A 14 -23.906 -9.711 -1.792 1.00 0.00 O ATOM 192 CB LYS A 14 -25.626 -7.072 -1.314 1.00 0.00 C ATOM 193 CG LYS A 14 -26.307 -7.935 -2.365 1.00 0.00 C ATOM 194 CD LYS A 14 -27.320 -7.136 -3.172 1.00 0.00 C ATOM 195 CE LYS A 14 -27.813 -7.921 -4.379 1.00 0.00 C ATOM 196 NZ LYS A 14 -28.565 -9.149 -3.994 1.00 0.00 N ATOM 0 H LYS A 14 -23.063 -6.430 -0.051 1.00 0.00 H new ATOM 0 HA LYS A 14 -25.028 -8.560 0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -26.383 -6.673 -0.639 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.157 -6.220 -1.806 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.556 -8.355 -3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -26.807 -8.774 -1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -28.166 -6.872 -2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -26.867 -6.202 -3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -28.454 -7.282 -4.987 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -26.961 -8.200 -4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -28.879 -9.647 -4.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -27.948 -9.774 -3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -29.394 -8.884 -3.425 1.00 0.00 H new ATOM 210 N CYS A 15 -22.530 -7.954 -1.863 1.00 0.00 N ATOM 211 CA CYS A 15 -21.799 -8.541 -2.981 1.00 0.00 C ATOM 212 C CYS A 15 -20.397 -9.032 -2.640 1.00 0.00 C ATOM 213 O CYS A 15 -19.484 -8.947 -3.466 1.00 0.00 O ATOM 214 CB CYS A 15 -21.676 -7.468 -4.057 1.00 0.00 C ATOM 215 SG CYS A 15 -20.615 -6.068 -3.569 1.00 0.00 S ATOM 0 H CYS A 15 -22.139 -7.096 -1.475 1.00 0.00 H new ATOM 0 HA CYS A 15 -22.359 -9.420 -3.300 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -21.275 -7.919 -4.965 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -22.670 -7.093 -4.300 1.00 0.00 H new ATOM 220 N GLU A 16 -20.264 -9.675 -1.502 1.00 0.00 N ATOM 221 CA GLU A 16 -18.975 -10.175 -1.052 1.00 0.00 C ATOM 222 C GLU A 16 -18.782 -11.587 -1.556 1.00 0.00 C ATOM 223 O GLU A 16 -18.127 -12.408 -0.921 1.00 0.00 O ATOM 224 CB GLU A 16 -18.923 -10.200 0.473 1.00 0.00 C ATOM 225 CG GLU A 16 -20.119 -9.575 1.162 1.00 0.00 C ATOM 226 CD GLU A 16 -21.276 -10.545 1.262 1.00 0.00 C ATOM 227 OE1 GLU A 16 -21.277 -11.389 2.185 1.00 0.00 O ATOM 228 OE2 GLU A 16 -22.178 -10.477 0.410 1.00 0.00 O ATOM 0 H GLU A 16 -21.036 -9.867 -0.864 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.193 -9.520 -1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -18.832 -11.235 0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.022 -9.682 0.800 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.833 -9.246 2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.434 -8.688 0.612 1.00 0.00 H new ATOM 235 N ARG A 17 -19.354 -11.861 -2.710 1.00 0.00 N ATOM 236 CA ARG A 17 -19.531 -13.210 -3.174 1.00 0.00 C ATOM 237 C ARG A 17 -19.411 -13.192 -4.692 1.00 0.00 C ATOM 238 O ARG A 17 -19.002 -14.166 -5.320 1.00 0.00 O ATOM 239 CB ARG A 17 -20.906 -13.735 -2.742 1.00 0.00 C ATOM 240 CG ARG A 17 -22.057 -12.839 -3.183 1.00 0.00 C ATOM 241 CD ARG A 17 -23.376 -13.247 -2.550 1.00 0.00 C ATOM 242 NE ARG A 17 -23.785 -14.598 -2.926 1.00 0.00 N ATOM 243 CZ ARG A 17 -24.800 -15.249 -2.360 1.00 0.00 C ATOM 244 NH1 ARG A 17 -25.485 -14.684 -1.368 1.00 0.00 N ATOM 245 NH2 ARG A 17 -25.122 -16.463 -2.782 1.00 0.00 N ATOM 0 H ARG A 17 -19.708 -11.149 -3.349 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.776 -13.871 -2.748 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -21.053 -14.733 -3.155 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -20.926 -13.833 -1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -21.833 -11.806 -2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -22.150 -12.877 -4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -23.288 -13.187 -1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -24.151 -12.541 -2.847 1.00 0.00 H new ATOM 0 HE ARG A 17 -23.263 -15.070 -3.665 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -25.233 -13.751 -1.041 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -26.262 -15.184 -0.936 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -24.593 -16.897 -3.539 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -25.899 -16.964 -2.350 1.00 0.00 H new ATOM 259 N ALA A 18 -19.758 -12.032 -5.264 1.00 0.00 N ATOM 260 CA ALA A 18 -19.853 -11.889 -6.713 1.00 0.00 C ATOM 261 C ALA A 18 -19.193 -10.608 -7.212 1.00 0.00 C ATOM 262 O ALA A 18 -18.703 -10.554 -8.337 1.00 0.00 O ATOM 263 CB ALA A 18 -21.310 -11.937 -7.149 1.00 0.00 C ATOM 0 H ALA A 18 -19.976 -11.183 -4.742 1.00 0.00 H new ATOM 0 HA ALA A 18 -19.313 -12.724 -7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -21.369 -11.829 -8.232 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -21.747 -12.891 -6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -21.859 -11.125 -6.673 1.00 0.00 H new ATOM 269 N GLY A 19 -19.176 -9.579 -6.371 1.00 0.00 N ATOM 270 CA GLY A 19 -18.557 -8.325 -6.757 1.00 0.00 C ATOM 271 C GLY A 19 -19.472 -7.433 -7.581 1.00 0.00 C ATOM 272 O GLY A 19 -19.002 -6.544 -8.286 1.00 0.00 O ATOM 0 H GLY A 19 -19.578 -9.591 -5.434 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -18.249 -7.788 -5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -17.653 -8.535 -7.329 1.00 0.00 H new ATOM 276 N GLU A 20 -20.774 -7.622 -7.439 1.00 0.00 N ATOM 277 CA GLU A 20 -21.742 -6.883 -8.243 1.00 0.00 C ATOM 278 C GLU A 20 -23.008 -6.615 -7.450 1.00 0.00 C ATOM 279 O GLU A 20 -23.288 -7.285 -6.460 1.00 0.00 O ATOM 280 CB GLU A 20 -22.106 -7.646 -9.521 1.00 0.00 C ATOM 281 CG GLU A 20 -22.526 -9.084 -9.269 1.00 0.00 C ATOM 282 CD GLU A 20 -23.335 -9.671 -10.408 1.00 0.00 C ATOM 283 OE1 GLU A 20 -22.761 -9.931 -11.486 1.00 0.00 O ATOM 284 OE2 GLU A 20 -24.554 -9.893 -10.222 1.00 0.00 O ATOM 0 H GLU A 20 -21.187 -8.279 -6.777 1.00 0.00 H new ATOM 0 HA GLU A 20 -21.275 -5.937 -8.517 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -22.916 -7.123 -10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -21.250 -7.639 -10.195 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -21.637 -9.694 -9.110 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -23.113 -9.130 -8.352 1.00 0.00 H new ATOM 291 N ILE A 21 -23.759 -5.632 -7.899 1.00 0.00 N ATOM 292 CA ILE A 21 -25.069 -5.351 -7.356 1.00 0.00 C ATOM 293 C ILE A 21 -26.053 -5.389 -8.506 1.00 0.00 C ATOM 294 O ILE A 21 -26.117 -4.455 -9.299 1.00 0.00 O ATOM 295 CB ILE A 21 -25.157 -3.970 -6.656 1.00 0.00 C ATOM 296 CG1 ILE A 21 -24.180 -3.880 -5.478 1.00 0.00 C ATOM 297 CG2 ILE A 21 -26.583 -3.703 -6.184 1.00 0.00 C ATOM 298 CD1 ILE A 21 -24.471 -4.847 -4.347 1.00 0.00 C ATOM 0 H ILE A 21 -23.477 -5.005 -8.652 1.00 0.00 H new ATOM 0 HA ILE A 21 -25.291 -6.098 -6.594 1.00 0.00 H new ATOM 0 HB ILE A 21 -24.878 -3.208 -7.383 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -23.170 -4.063 -5.845 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -24.197 -2.864 -5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -26.628 -2.730 -5.695 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -27.257 -3.710 -7.041 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -26.884 -4.478 -5.479 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -23.732 -4.715 -3.557 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -25.467 -4.652 -3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -24.423 -5.870 -4.721 1.00 0.00 H new ATOM 310 N GLU A 22 -26.781 -6.490 -8.610 1.00 0.00 N ATOM 311 CA GLU A 22 -27.751 -6.674 -9.683 1.00 0.00 C ATOM 312 C GLU A 22 -27.080 -6.683 -11.051 1.00 0.00 C ATOM 313 O GLU A 22 -27.489 -5.944 -11.946 1.00 0.00 O ATOM 314 CB GLU A 22 -28.768 -5.542 -9.640 1.00 0.00 C ATOM 315 CG GLU A 22 -30.120 -5.923 -10.201 1.00 0.00 C ATOM 316 CD GLU A 22 -30.621 -7.232 -9.631 1.00 0.00 C ATOM 317 OE1 GLU A 22 -31.268 -7.216 -8.566 1.00 0.00 O ATOM 318 OE2 GLU A 22 -30.345 -8.289 -10.235 1.00 0.00 O ATOM 0 H GLU A 22 -26.719 -7.275 -7.961 1.00 0.00 H new ATOM 0 HA GLU A 22 -28.239 -7.637 -9.534 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -28.891 -5.214 -8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -28.378 -4.692 -10.200 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -30.839 -5.133 -9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -30.053 -6.002 -11.286 1.00 0.00 H new ATOM 325 N GLY A 23 -26.046 -7.500 -11.220 1.00 0.00 N ATOM 326 CA GLY A 23 -25.324 -7.513 -12.481 1.00 0.00 C ATOM 327 C GLY A 23 -24.706 -6.178 -12.809 1.00 0.00 C ATOM 328 O GLY A 23 -24.214 -5.960 -13.915 1.00 0.00 O ATOM 0 H GLY A 23 -25.696 -8.148 -10.514 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -24.542 -8.271 -12.440 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -26.005 -7.801 -13.282 1.00 0.00 H new ATOM 332 N THR A 24 -24.747 -5.283 -11.851 1.00 0.00 N ATOM 333 CA THR A 24 -24.305 -3.930 -12.050 1.00 0.00 C ATOM 334 C THR A 24 -23.137 -3.600 -11.110 1.00 0.00 C ATOM 335 O THR A 24 -23.064 -4.123 -9.995 1.00 0.00 O ATOM 336 CB THR A 24 -25.535 -3.028 -11.824 1.00 0.00 C ATOM 337 OG1 THR A 24 -26.067 -2.602 -13.083 1.00 0.00 O ATOM 338 CG2 THR A 24 -25.251 -1.827 -10.933 1.00 0.00 C ATOM 0 H THR A 24 -25.089 -5.477 -10.910 1.00 0.00 H new ATOM 0 HA THR A 24 -23.919 -3.771 -13.057 1.00 0.00 H new ATOM 0 HB THR A 24 -26.272 -3.631 -11.294 1.00 0.00 H new ATOM 0 HG1 THR A 24 -26.849 -2.031 -12.931 1.00 0.00 H new ATOM 0 HG21 THR A 24 -26.160 -1.237 -10.817 1.00 0.00 H new ATOM 0 HG22 THR A 24 -24.915 -2.171 -9.955 1.00 0.00 H new ATOM 0 HG23 THR A 24 -24.475 -1.212 -11.388 1.00 0.00 H new ATOM 346 N PRO A 25 -22.185 -2.759 -11.572 1.00 0.00 N ATOM 347 CA PRO A 25 -20.970 -2.422 -10.815 1.00 0.00 C ATOM 348 C PRO A 25 -21.292 -1.859 -9.438 1.00 0.00 C ATOM 349 O PRO A 25 -22.076 -0.920 -9.300 1.00 0.00 O ATOM 350 CB PRO A 25 -20.269 -1.370 -11.685 1.00 0.00 C ATOM 351 CG PRO A 25 -21.329 -0.872 -12.606 1.00 0.00 C ATOM 352 CD PRO A 25 -22.223 -2.052 -12.861 1.00 0.00 C ATOM 0 HA PRO A 25 -20.352 -3.300 -10.627 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -19.861 -0.562 -11.078 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.436 -1.805 -12.238 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -21.884 -0.048 -12.157 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -20.898 -0.497 -13.535 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -23.235 -1.746 -13.127 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -21.853 -2.673 -13.677 1.00 0.00 H new ATOM 360 N CYS A 26 -20.668 -2.437 -8.426 1.00 0.00 N ATOM 361 CA CYS A 26 -21.026 -2.160 -7.049 1.00 0.00 C ATOM 362 C CYS A 26 -20.336 -0.908 -6.495 1.00 0.00 C ATOM 363 O CYS A 26 -19.128 -0.736 -6.659 1.00 0.00 O ATOM 364 CB CYS A 26 -20.680 -3.364 -6.189 1.00 0.00 C ATOM 365 SG CYS A 26 -21.084 -3.130 -4.444 1.00 0.00 S ATOM 0 H CYS A 26 -19.906 -3.106 -8.536 1.00 0.00 H new ATOM 0 HA CYS A 26 -22.098 -1.967 -7.023 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -21.214 -4.237 -6.565 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -19.615 -3.576 -6.284 1.00 0.00 H new ATOM 370 N PRO A 27 -21.122 -0.069 -5.771 1.00 0.00 N ATOM 371 CA PRO A 27 -20.723 1.226 -5.198 1.00 0.00 C ATOM 372 C PRO A 27 -19.246 1.394 -4.832 1.00 0.00 C ATOM 373 O PRO A 27 -18.567 2.288 -5.338 1.00 0.00 O ATOM 374 CB PRO A 27 -21.553 1.258 -3.918 1.00 0.00 C ATOM 375 CG PRO A 27 -22.818 0.530 -4.234 1.00 0.00 C ATOM 376 CD PRO A 27 -22.545 -0.325 -5.462 1.00 0.00 C ATOM 0 HA PRO A 27 -20.882 2.020 -5.928 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -21.022 0.779 -3.095 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -21.758 2.283 -3.611 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -23.126 -0.091 -3.393 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -23.629 1.232 -4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -22.725 -1.381 -5.261 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -23.190 -0.045 -6.294 1.00 0.00 H new ATOM 384 N ALA A 28 -18.752 0.524 -3.959 1.00 0.00 N ATOM 385 CA ALA A 28 -17.489 0.783 -3.273 1.00 0.00 C ATOM 386 C ALA A 28 -16.509 -0.380 -3.371 1.00 0.00 C ATOM 387 O ALA A 28 -15.410 -0.317 -2.827 1.00 0.00 O ATOM 388 CB ALA A 28 -17.755 1.110 -1.811 1.00 0.00 C ATOM 0 H ALA A 28 -19.200 -0.358 -3.710 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.024 1.633 -3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.810 1.302 -1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.389 1.994 -1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -18.257 0.268 -1.335 1.00 0.00 H new ATOM 394 N CYS A 29 -16.896 -1.448 -4.050 1.00 0.00 N ATOM 395 CA CYS A 29 -15.995 -2.591 -4.148 1.00 0.00 C ATOM 396 C CYS A 29 -15.706 -2.972 -5.592 1.00 0.00 C ATOM 397 O CYS A 29 -14.782 -3.733 -5.837 1.00 0.00 O ATOM 398 CB CYS A 29 -16.582 -3.795 -3.401 1.00 0.00 C ATOM 399 SG CYS A 29 -18.095 -4.479 -4.155 1.00 0.00 S ATOM 0 H CYS A 29 -17.792 -1.551 -4.526 1.00 0.00 H new ATOM 0 HA CYS A 29 -15.051 -2.298 -3.688 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.828 -4.580 -3.351 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -16.803 -3.499 -2.375 1.00 0.00 H new ATOM 404 N SER A 30 -16.494 -2.445 -6.527 1.00 0.00 N ATOM 405 CA SER A 30 -16.231 -2.574 -7.968 1.00 0.00 C ATOM 406 C SER A 30 -15.729 -3.966 -8.397 1.00 0.00 C ATOM 407 O SER A 30 -14.854 -4.076 -9.255 1.00 0.00 O ATOM 408 CB SER A 30 -15.218 -1.506 -8.380 1.00 0.00 C ATOM 409 OG SER A 30 -15.623 -0.231 -7.910 1.00 0.00 O ATOM 0 H SER A 30 -17.337 -1.914 -6.311 1.00 0.00 H new ATOM 0 HA SER A 30 -17.185 -2.436 -8.477 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.236 -1.753 -7.978 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.122 -1.487 -9.466 1.00 0.00 H new ATOM 0 HG SER A 30 -14.964 0.442 -8.180 1.00 0.00 H new ATOM 415 N GLY A 31 -16.275 -5.025 -7.803 1.00 0.00 N ATOM 416 CA GLY A 31 -15.937 -6.363 -8.254 1.00 0.00 C ATOM 417 C GLY A 31 -14.790 -6.984 -7.487 1.00 0.00 C ATOM 418 O GLY A 31 -13.903 -7.598 -8.080 1.00 0.00 O ATOM 0 H GLY A 31 -16.937 -4.982 -7.028 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.815 -7.002 -8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.679 -6.327 -9.313 1.00 0.00 H new ATOM 422 N LYS A 32 -14.805 -6.831 -6.171 1.00 0.00 N ATOM 423 CA LYS A 32 -13.770 -7.404 -5.316 1.00 0.00 C ATOM 424 C LYS A 32 -14.403 -8.256 -4.225 1.00 0.00 C ATOM 425 O LYS A 32 -13.868 -9.296 -3.846 1.00 0.00 O ATOM 426 CB LYS A 32 -12.924 -6.290 -4.709 1.00 0.00 C ATOM 427 CG LYS A 32 -12.271 -5.448 -5.782 1.00 0.00 C ATOM 428 CD LYS A 32 -11.328 -4.406 -5.226 1.00 0.00 C ATOM 429 CE LYS A 32 -12.045 -3.324 -4.443 1.00 0.00 C ATOM 430 NZ LYS A 32 -11.176 -2.136 -4.287 1.00 0.00 N ATOM 0 H LYS A 32 -15.525 -6.313 -5.668 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.123 -8.043 -5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -13.549 -5.658 -4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.157 -6.722 -4.066 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.723 -6.099 -6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.045 -4.953 -6.368 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.597 -4.892 -4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.775 -3.949 -6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.965 -3.044 -4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.330 -3.705 -3.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.421 -1.640 -3.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.181 -2.436 -4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.315 -1.496 -5.095 1.00 0.00 H new ATOM 444 N GLY A 33 -15.554 -7.811 -3.723 1.00 0.00 N ATOM 445 CA GLY A 33 -16.256 -8.549 -2.711 1.00 0.00 C ATOM 446 C GLY A 33 -16.290 -7.796 -1.401 1.00 0.00 C ATOM 447 O GLY A 33 -17.315 -7.772 -0.724 1.00 0.00 O ATOM 0 H GLY A 33 -16.008 -6.943 -4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -17.275 -8.748 -3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.774 -9.516 -2.564 1.00 0.00 H new ATOM 451 N VAL A 34 -15.194 -7.132 -1.060 1.00 0.00 N ATOM 452 CA VAL A 34 -15.105 -6.454 0.232 1.00 0.00 C ATOM 453 C VAL A 34 -14.895 -4.953 0.076 1.00 0.00 C ATOM 454 O VAL A 34 -14.597 -4.459 -1.016 1.00 0.00 O ATOM 455 CB VAL A 34 -13.949 -7.024 1.089 1.00 0.00 C ATOM 456 CG1 VAL A 34 -14.158 -8.502 1.381 1.00 0.00 C ATOM 457 CG2 VAL A 34 -12.609 -6.798 0.405 1.00 0.00 C ATOM 0 H VAL A 34 -14.365 -7.047 -1.647 1.00 0.00 H new ATOM 0 HA VAL A 34 -16.057 -6.631 0.732 1.00 0.00 H new ATOM 0 HB VAL A 34 -13.945 -6.491 2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -13.330 -8.874 1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -15.093 -8.637 1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.201 -9.056 0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -11.811 -7.206 1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.607 -7.296 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -12.448 -5.729 0.264 1.00 0.00 H new ATOM 467 N ILE A 35 -15.073 -4.239 1.181 1.00 0.00 N ATOM 468 CA ILE A 35 -14.826 -2.805 1.234 1.00 0.00 C ATOM 469 C ILE A 35 -13.951 -2.451 2.435 1.00 0.00 C ATOM 470 O ILE A 35 -13.737 -3.271 3.321 1.00 0.00 O ATOM 471 CB ILE A 35 -16.142 -1.999 1.315 1.00 0.00 C ATOM 472 CG1 ILE A 35 -17.016 -2.519 2.462 1.00 0.00 C ATOM 473 CG2 ILE A 35 -16.889 -2.062 -0.008 1.00 0.00 C ATOM 474 CD1 ILE A 35 -18.308 -1.753 2.648 1.00 0.00 C ATOM 0 H ILE A 35 -15.392 -4.638 2.064 1.00 0.00 H new ATOM 0 HA ILE A 35 -14.310 -2.539 0.311 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.899 -0.956 1.516 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -17.250 -3.568 2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.444 -2.477 3.389 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -17.813 -1.489 0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.266 -1.643 -0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -17.124 -3.100 -0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -18.869 -2.182 3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -18.084 -0.708 2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -18.903 -1.816 1.737 1.00 0.00 H new ATOM 486 N LEU A 36 -13.453 -1.223 2.448 1.00 0.00 N ATOM 487 CA LEU A 36 -12.505 -0.786 3.472 1.00 0.00 C ATOM 488 C LEU A 36 -13.191 -0.241 4.717 1.00 0.00 C ATOM 489 O LEU A 36 -14.378 0.094 4.704 1.00 0.00 O ATOM 490 CB LEU A 36 -11.588 0.310 2.922 1.00 0.00 C ATOM 491 CG LEU A 36 -11.020 0.058 1.531 1.00 0.00 C ATOM 492 CD1 LEU A 36 -11.847 0.771 0.471 1.00 0.00 C ATOM 493 CD2 LEU A 36 -9.572 0.495 1.470 1.00 0.00 C ATOM 0 H LEU A 36 -13.688 -0.507 1.761 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.933 -1.672 3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.143 1.248 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.757 0.445 3.615 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.067 -1.012 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.422 0.576 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.873 0.404 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.839 1.844 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.178 0.310 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.503 1.559 1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.991 -0.069 2.200 1.00 0.00 H new ATOM 505 N THR A 37 -12.406 -0.148 5.784 1.00 0.00 N ATOM 506 CA THR A 37 -12.808 0.528 7.005 1.00 0.00 C ATOM 507 C THR A 37 -12.064 1.857 7.078 1.00 0.00 C ATOM 508 O THR A 37 -11.243 2.130 6.210 1.00 0.00 O ATOM 509 CB THR A 37 -12.465 -0.313 8.254 1.00 0.00 C ATOM 510 OG1 THR A 37 -11.043 -0.490 8.351 1.00 0.00 O ATOM 511 CG2 THR A 37 -13.134 -1.677 8.195 1.00 0.00 C ATOM 0 H THR A 37 -11.467 -0.543 5.823 1.00 0.00 H new ATOM 0 HA THR A 37 -13.887 0.679 6.988 1.00 0.00 H new ATOM 0 HB THR A 37 -12.833 0.221 9.130 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.805 -0.729 9.271 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.875 -2.248 9.087 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.215 -1.550 8.146 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.791 -2.212 7.309 1.00 0.00 H new ATOM 519 N ALA A 38 -12.323 2.675 8.090 1.00 0.00 N ATOM 520 CA ALA A 38 -11.677 3.987 8.184 1.00 0.00 C ATOM 521 C ALA A 38 -10.155 3.872 8.183 1.00 0.00 C ATOM 522 O ALA A 38 -9.480 4.629 7.487 1.00 0.00 O ATOM 523 CB ALA A 38 -12.163 4.739 9.407 1.00 0.00 C ATOM 0 H ALA A 38 -12.967 2.461 8.851 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.959 4.554 7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.670 5.710 9.457 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.242 4.882 9.341 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.927 4.166 10.304 1.00 0.00 H new ATOM 529 N GLN A 39 -9.613 2.933 8.953 1.00 0.00 N ATOM 530 CA GLN A 39 -8.176 2.678 8.921 1.00 0.00 C ATOM 531 C GLN A 39 -7.727 2.288 7.516 1.00 0.00 C ATOM 532 O GLN A 39 -6.704 2.770 7.024 1.00 0.00 O ATOM 533 CB GLN A 39 -7.786 1.586 9.919 1.00 0.00 C ATOM 534 CG GLN A 39 -6.334 1.156 9.791 1.00 0.00 C ATOM 535 CD GLN A 39 -5.888 0.231 10.900 1.00 0.00 C ATOM 536 OE1 GLN A 39 -6.684 -0.513 11.467 1.00 0.00 O ATOM 537 NE2 GLN A 39 -4.603 0.269 11.206 1.00 0.00 N ATOM 0 H GLN A 39 -10.138 2.343 9.598 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.671 3.600 9.207 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.964 1.947 10.932 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.430 0.719 9.771 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.192 0.658 8.832 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.698 2.041 9.787 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.979 0.903 10.708 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.235 -0.336 11.940 1.00 0.00 H new ATOM 546 N GLY A 40 -8.503 1.430 6.865 1.00 0.00 N ATOM 547 CA GLY A 40 -8.193 1.026 5.514 1.00 0.00 C ATOM 548 C GLY A 40 -8.322 2.176 4.537 1.00 0.00 C ATOM 549 O GLY A 40 -7.611 2.233 3.539 1.00 0.00 O ATOM 0 H GLY A 40 -9.345 1.007 7.255 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.178 0.631 5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.861 0.218 5.214 1.00 0.00 H new ATOM 553 N TYR A 41 -9.223 3.102 4.833 1.00 0.00 N ATOM 554 CA TYR A 41 -9.411 4.281 4.002 1.00 0.00 C ATOM 555 C TYR A 41 -8.235 5.238 4.120 1.00 0.00 C ATOM 556 O TYR A 41 -7.866 5.890 3.140 1.00 0.00 O ATOM 557 CB TYR A 41 -10.714 4.994 4.386 1.00 0.00 C ATOM 558 CG TYR A 41 -11.930 4.539 3.601 1.00 0.00 C ATOM 559 CD1 TYR A 41 -12.249 5.123 2.382 1.00 0.00 C ATOM 560 CD2 TYR A 41 -12.756 3.531 4.078 1.00 0.00 C ATOM 561 CE1 TYR A 41 -13.355 4.713 1.661 1.00 0.00 C ATOM 562 CE2 TYR A 41 -13.863 3.116 3.366 1.00 0.00 C ATOM 563 CZ TYR A 41 -14.159 3.709 2.158 1.00 0.00 C ATOM 564 OH TYR A 41 -15.261 3.294 1.445 1.00 0.00 O ATOM 0 H TYR A 41 -9.837 3.058 5.646 1.00 0.00 H new ATOM 0 HA TYR A 41 -9.472 3.954 2.964 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -10.902 4.836 5.448 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -10.584 6.067 4.242 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -11.622 5.911 1.991 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.528 3.063 5.024 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -13.588 5.176 0.714 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -14.494 2.330 3.754 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.718 2.579 1.935 1.00 0.00 H new ATOM 574 N THR A 42 -7.621 5.306 5.293 1.00 0.00 N ATOM 575 CA THR A 42 -6.404 6.089 5.453 1.00 0.00 C ATOM 576 C THR A 42 -5.248 5.430 4.698 1.00 0.00 C ATOM 577 O THR A 42 -4.388 6.105 4.113 1.00 0.00 O ATOM 578 CB THR A 42 -6.019 6.214 6.939 1.00 0.00 C ATOM 579 OG1 THR A 42 -7.123 6.722 7.697 1.00 0.00 O ATOM 580 CG2 THR A 42 -4.816 7.130 7.115 1.00 0.00 C ATOM 0 H THR A 42 -7.941 4.834 6.139 1.00 0.00 H new ATOM 0 HA THR A 42 -6.594 7.083 5.048 1.00 0.00 H new ATOM 0 HB THR A 42 -5.757 5.220 7.302 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.831 6.913 8.613 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.565 7.201 8.173 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.966 6.724 6.567 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.055 8.122 6.731 1.00 0.00 H new ATOM 588 N LEU A 43 -5.271 4.105 4.653 1.00 0.00 N ATOM 589 CA LEU A 43 -4.188 3.348 4.047 1.00 0.00 C ATOM 590 C LEU A 43 -4.407 3.215 2.547 1.00 0.00 C ATOM 591 O LEU A 43 -3.472 2.908 1.818 1.00 0.00 O ATOM 592 CB LEU A 43 -4.065 1.946 4.678 1.00 0.00 C ATOM 593 CG LEU A 43 -2.955 1.764 5.738 1.00 0.00 C ATOM 594 CD1 LEU A 43 -2.989 2.881 6.767 1.00 0.00 C ATOM 595 CD2 LEU A 43 -3.114 0.419 6.427 1.00 0.00 C ATOM 0 H LEU A 43 -6.028 3.534 5.029 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.262 3.893 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.021 1.693 5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.895 1.225 3.878 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.991 1.801 5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.197 2.725 7.499 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.840 3.839 6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.955 2.881 7.272 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.329 0.297 7.173 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.088 0.373 6.915 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.040 -0.379 5.688 1.00 0.00 H new ATOM 607 N LEU A 44 -5.624 3.475 2.071 1.00 0.00 N ATOM 608 CA LEU A 44 -5.892 3.351 0.647 1.00 0.00 C ATOM 609 C LEU A 44 -5.432 4.606 -0.086 1.00 0.00 C ATOM 610 O LEU A 44 -4.830 4.519 -1.146 1.00 0.00 O ATOM 611 CB LEU A 44 -7.384 3.040 0.370 1.00 0.00 C ATOM 612 CG LEU A 44 -8.344 4.230 0.173 1.00 0.00 C ATOM 613 CD1 LEU A 44 -8.223 4.816 -1.231 1.00 0.00 C ATOM 614 CD2 LEU A 44 -9.780 3.797 0.402 1.00 0.00 C ATOM 0 H LEU A 44 -6.420 3.766 2.638 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.321 2.505 0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.436 2.417 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.760 2.440 1.199 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.067 4.993 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.913 5.653 -1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.203 5.164 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.466 4.050 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.444 4.649 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.040 3.011 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.888 3.419 1.419 1.00 0.00 H new ATOM 626 N ASP A 45 -5.688 5.775 0.494 1.00 0.00 N ATOM 627 CA ASP A 45 -5.345 7.035 -0.163 1.00 0.00 C ATOM 628 C ASP A 45 -3.838 7.235 -0.182 1.00 0.00 C ATOM 629 O ASP A 45 -3.300 7.916 -1.051 1.00 0.00 O ATOM 630 CB ASP A 45 -6.030 8.209 0.540 1.00 0.00 C ATOM 631 CG ASP A 45 -5.795 9.529 -0.170 1.00 0.00 C ATOM 632 OD1 ASP A 45 -6.316 9.696 -1.294 1.00 0.00 O ATOM 633 OD2 ASP A 45 -5.088 10.396 0.381 1.00 0.00 O ATOM 0 H ASP A 45 -6.127 5.878 1.409 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.700 6.993 -1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.101 8.018 0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.662 8.280 1.564 1.00 0.00 H new ATOM 638 N PHE A 46 -3.160 6.579 0.741 1.00 0.00 N ATOM 639 CA PHE A 46 -1.704 6.583 0.780 1.00 0.00 C ATOM 640 C PHE A 46 -1.148 5.683 -0.305 1.00 0.00 C ATOM 641 O PHE A 46 -0.186 6.034 -0.988 1.00 0.00 O ATOM 642 CB PHE A 46 -1.271 6.049 2.142 1.00 0.00 C ATOM 643 CG PHE A 46 0.200 6.108 2.414 1.00 0.00 C ATOM 644 CD1 PHE A 46 0.763 7.235 2.982 1.00 0.00 C ATOM 645 CD2 PHE A 46 1.013 5.026 2.125 1.00 0.00 C ATOM 646 CE1 PHE A 46 2.113 7.284 3.256 1.00 0.00 C ATOM 647 CE2 PHE A 46 2.364 5.071 2.391 1.00 0.00 C ATOM 648 CZ PHE A 46 2.912 6.201 2.958 1.00 0.00 C ATOM 0 H PHE A 46 -3.597 6.031 1.482 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.331 7.595 0.620 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.790 6.613 2.917 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.599 5.013 2.229 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.139 8.086 3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.584 4.137 1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.543 8.168 3.703 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.991 4.224 2.156 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.970 6.238 3.170 1.00 0.00 H new ATOM 658 N ILE A 47 -1.769 4.542 -0.498 1.00 0.00 N ATOM 659 CA ILE A 47 -1.268 3.611 -1.479 1.00 0.00 C ATOM 660 C ILE A 47 -1.702 4.026 -2.883 1.00 0.00 C ATOM 661 O ILE A 47 -1.033 3.720 -3.869 1.00 0.00 O ATOM 662 CB ILE A 47 -1.688 2.164 -1.161 1.00 0.00 C ATOM 663 CG1 ILE A 47 -3.211 2.043 -1.100 1.00 0.00 C ATOM 664 CG2 ILE A 47 -1.065 1.747 0.161 1.00 0.00 C ATOM 665 CD1 ILE A 47 -3.713 0.670 -0.705 1.00 0.00 C ATOM 0 H ILE A 47 -2.606 4.241 0.001 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.179 3.638 -1.440 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.335 1.504 -1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.593 2.775 -0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.623 2.301 -2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.357 0.723 0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.021 1.806 0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.411 2.412 0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.803 0.673 -0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.364 -0.067 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.334 0.415 0.285 1.00 0.00 H new ATOM 677 N GLN A 48 -2.813 4.747 -2.961 1.00 0.00 N ATOM 678 CA GLN A 48 -3.180 5.461 -4.169 1.00 0.00 C ATOM 679 C GLN A 48 -2.076 6.440 -4.531 1.00 0.00 C ATOM 680 O GLN A 48 -1.406 6.289 -5.530 1.00 0.00 O ATOM 681 CB GLN A 48 -4.487 6.231 -3.955 1.00 0.00 C ATOM 682 CG GLN A 48 -5.716 5.349 -3.815 1.00 0.00 C ATOM 683 CD GLN A 48 -5.965 4.487 -5.035 1.00 0.00 C ATOM 684 OE1 GLN A 48 -5.661 4.877 -6.163 1.00 0.00 O ATOM 685 NE2 GLN A 48 -6.513 3.306 -4.814 1.00 0.00 N ATOM 0 H GLN A 48 -3.477 4.851 -2.194 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.319 4.742 -4.976 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.391 6.845 -3.060 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.636 6.911 -4.794 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.599 4.708 -2.941 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.589 5.977 -3.636 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.749 3.023 -3.863 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.700 2.677 -5.594 1.00 0.00 H new ATOM 694 N LYS A 49 -1.813 7.341 -3.612 1.00 0.00 N ATOM 695 CA LYS A 49 -1.045 8.558 -3.860 1.00 0.00 C ATOM 696 C LYS A 49 0.464 8.295 -3.903 1.00 0.00 C ATOM 697 O LYS A 49 1.258 9.208 -4.127 1.00 0.00 O ATOM 698 CB LYS A 49 -1.406 9.514 -2.726 1.00 0.00 C ATOM 699 CG LYS A 49 -0.919 10.944 -2.860 1.00 0.00 C ATOM 700 CD LYS A 49 -1.212 11.721 -1.581 1.00 0.00 C ATOM 701 CE LYS A 49 -2.644 11.496 -1.101 1.00 0.00 C ATOM 702 NZ LYS A 49 -2.864 11.973 0.289 1.00 0.00 N ATOM 0 H LYS A 49 -2.131 7.254 -2.647 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.290 8.976 -4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.491 9.532 -2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.009 9.105 -1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.152 10.954 -3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.409 11.425 -3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.514 11.415 -0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.049 12.785 -1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.333 12.011 -1.771 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.879 10.433 -1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.727 11.538 0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.050 11.708 0.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.969 13.008 0.288 1.00 0.00 H new ATOM 716 N HIS A 50 0.891 7.066 -3.631 1.00 0.00 N ATOM 717 CA HIS A 50 2.293 6.757 -3.904 1.00 0.00 C ATOM 718 C HIS A 50 2.499 5.658 -4.955 1.00 0.00 C ATOM 719 O HIS A 50 3.638 5.336 -5.282 1.00 0.00 O ATOM 720 CB HIS A 50 3.004 6.419 -2.587 1.00 0.00 C ATOM 721 CG HIS A 50 2.889 7.541 -1.594 1.00 0.00 C ATOM 722 ND1 HIS A 50 3.584 8.715 -1.717 1.00 0.00 N ATOM 723 CD2 HIS A 50 2.083 7.700 -0.521 1.00 0.00 C ATOM 724 CE1 HIS A 50 3.208 9.552 -0.772 1.00 0.00 C ATOM 725 NE2 HIS A 50 2.293 8.965 -0.030 1.00 0.00 N ATOM 0 H HIS A 50 0.328 6.308 -3.245 1.00 0.00 H new ATOM 0 HA HIS A 50 2.738 7.648 -4.347 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.574 5.511 -2.163 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.056 6.212 -2.783 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.398 6.966 -0.122 1.00 0.00 H new ATOM 0 HE1 HIS A 50 3.587 10.553 -0.630 1.00 0.00 H new ATOM 0 HE2 HIS A 50 1.820 9.379 0.773 1.00 0.00 H new ATOM 734 N LEU A 51 1.424 5.086 -5.492 1.00 0.00 N ATOM 735 CA LEU A 51 1.558 4.185 -6.650 1.00 0.00 C ATOM 736 C LEU A 51 0.799 4.724 -7.851 1.00 0.00 C ATOM 737 O LEU A 51 1.338 4.840 -8.951 1.00 0.00 O ATOM 738 CB LEU A 51 1.027 2.769 -6.370 1.00 0.00 C ATOM 739 CG LEU A 51 1.867 1.879 -5.443 1.00 0.00 C ATOM 740 CD1 LEU A 51 3.311 1.790 -5.920 1.00 0.00 C ATOM 741 CD2 LEU A 51 1.801 2.380 -4.019 1.00 0.00 C ATOM 0 H LEU A 51 0.469 5.221 -5.159 1.00 0.00 H new ATOM 0 HA LEU A 51 2.628 4.133 -6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.030 2.860 -5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.916 2.254 -7.324 1.00 0.00 H new ATOM 0 HG LEU A 51 1.446 0.874 -5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.879 1.153 -5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.337 1.366 -6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.751 2.787 -5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.403 1.736 -3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.186 3.399 -3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.766 2.368 -3.677 1.00 0.00 H new ATOM 753 N ASN A 52 -0.456 5.051 -7.619 1.00 0.00 N ATOM 754 CA ASN A 52 -1.411 5.306 -8.684 1.00 0.00 C ATOM 755 C ASN A 52 -1.764 6.784 -8.810 1.00 0.00 C ATOM 756 O ASN A 52 -2.101 7.257 -9.892 1.00 0.00 O ATOM 757 CB ASN A 52 -2.665 4.476 -8.415 1.00 0.00 C ATOM 758 CG ASN A 52 -2.683 3.185 -9.211 1.00 0.00 C ATOM 759 OD1 ASN A 52 -1.508 2.646 -9.501 1.00 0.00 O flip ATOM 760 ND2 ASN A 52 -3.745 2.676 -9.571 1.00 0.00 N flip ATOM 0 H ASN A 52 -0.847 5.148 -6.682 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.957 5.018 -9.633 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.724 4.245 -7.351 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.548 5.065 -8.663 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.631 3.120 -9.329 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.739 1.811 -10.111 1.00 0.00 H new ATOM 767 N LYS A 53 -1.686 7.501 -7.708 1.00 0.00 N ATOM 768 CA LYS A 53 -1.975 8.919 -7.685 1.00 0.00 C ATOM 769 C LYS A 53 -0.692 9.711 -7.458 1.00 0.00 C ATOM 770 O LYS A 53 -0.503 10.214 -6.339 1.00 0.00 O ATOM 771 CB LYS A 53 -2.985 9.216 -6.575 1.00 0.00 C ATOM 772 CG LYS A 53 -4.417 9.340 -7.057 1.00 0.00 C ATOM 773 CD LYS A 53 -5.250 10.166 -6.088 1.00 0.00 C ATOM 774 CE LYS A 53 -5.376 9.510 -4.726 1.00 0.00 C ATOM 775 NZ LYS A 53 -6.166 10.353 -3.792 1.00 0.00 N ATOM 776 OXT LYS A 53 0.133 9.796 -8.397 1.00 0.00 O ATOM 0 H LYS A 53 -1.420 7.116 -6.802 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.400 9.216 -8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.932 8.423 -5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.699 10.143 -6.077 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.433 9.804 -8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.855 8.348 -7.164 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.798 11.151 -5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.244 10.319 -6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.853 8.536 -4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.383 9.335 -4.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.235 9.878 -2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.697 11.273 -3.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.121 10.498 -4.178 1.00 0.00 H new TER 790 LYS A 53 HETATM 791 N FME B 1 9.543 7.108 12.687 1.00 0.00 N HETATM 792 CN FME B 1 8.504 7.884 12.422 1.00 0.00 C HETATM 793 O1 FME B 1 8.453 9.057 12.788 1.00 0.00 O HETATM 794 CA FME B 1 9.581 5.730 12.219 1.00 0.00 C HETATM 795 CB FME B 1 10.937 5.412 11.583 1.00 0.00 C HETATM 796 CG FME B 1 11.091 3.954 11.178 1.00 0.00 C HETATM 797 SD FME B 1 12.494 3.667 10.082 1.00 0.00 S HETATM 798 CE FME B 1 11.934 4.501 8.596 1.00 0.00 C HETATM 799 C FME B 1 9.288 4.761 13.356 1.00 0.00 C HETATM 800 O FME B 1 10.154 4.463 14.177 1.00 0.00 O HETATM 0 HG3 FME B 1 11.208 3.345 12.074 1.00 0.00 H new HETATM 0 HG2 FME B 1 10.178 3.622 10.684 1.00 0.00 H new HETATM 0 HE3 FME B 1 12.148 3.879 7.727 1.00 0.00 H new HETATM 0 HE2 FME B 1 10.860 4.677 8.660 1.00 0.00 H new HETATM 0 HE1 FME B 1 12.453 5.455 8.497 1.00 0.00 H new HETATM 0 HCN FME B 1 7.666 7.470 11.861 1.00 0.00 H new HETATM 0 HB3 FME B 1 11.073 6.041 10.704 1.00 0.00 H new HETATM 0 HB2 FME B 1 11.729 5.671 12.286 1.00 0.00 H new HETATM 0 HA FME B 1 8.807 5.611 11.461 1.00 0.00 H new HETATM 0 H FME B 1 10.326 7.480 13.225 1.00 0.00 H new ATOM 811 N VAL B 2 8.056 4.277 13.396 1.00 0.00 N ATOM 812 CA VAL B 2 7.648 3.287 14.383 1.00 0.00 C ATOM 813 C VAL B 2 7.498 1.930 13.714 1.00 0.00 C ATOM 814 O VAL B 2 6.956 0.985 14.285 1.00 0.00 O ATOM 815 CB VAL B 2 6.323 3.685 15.062 1.00 0.00 C ATOM 816 CG1 VAL B 2 6.486 5.015 15.774 1.00 0.00 C ATOM 817 CG2 VAL B 2 5.190 3.757 14.046 1.00 0.00 C ATOM 0 H VAL B 2 7.316 4.556 12.752 1.00 0.00 H new ATOM 0 HA VAL B 2 8.418 3.235 15.152 1.00 0.00 H new ATOM 0 HB VAL B 2 6.066 2.920 15.795 1.00 0.00 H new ATOM 0 HG11 VAL B 2 5.545 5.290 16.251 1.00 0.00 H new ATOM 0 HG12 VAL B 2 7.266 4.929 16.531 1.00 0.00 H new ATOM 0 HG13 VAL B 2 6.764 5.783 15.052 1.00 0.00 H new ATOM 0 HG21 VAL B 2 4.266 4.040 14.551 1.00 0.00 H new ATOM 0 HG22 VAL B 2 5.430 4.500 13.285 1.00 0.00 H new ATOM 0 HG23 VAL B 2 5.062 2.783 13.574 1.00 0.00 H new ATOM 827 N ILE B 3 7.993 1.858 12.492 1.00 0.00 N ATOM 828 CA ILE B 3 7.924 0.648 11.694 1.00 0.00 C ATOM 829 C ILE B 3 9.080 0.621 10.701 1.00 0.00 C ATOM 830 O ILE B 3 9.385 1.634 10.067 1.00 0.00 O ATOM 831 CB ILE B 3 6.571 0.545 10.942 1.00 0.00 C ATOM 832 CG1 ILE B 3 6.461 -0.794 10.208 1.00 0.00 C ATOM 833 CG2 ILE B 3 6.398 1.710 9.969 1.00 0.00 C ATOM 834 CD1 ILE B 3 5.115 -1.013 9.552 1.00 0.00 C ATOM 0 H ILE B 3 8.455 2.638 12.024 1.00 0.00 H new ATOM 0 HA ILE B 3 8.000 -0.209 12.364 1.00 0.00 H new ATOM 0 HB ILE B 3 5.770 0.598 11.679 1.00 0.00 H new ATOM 0 HG12 ILE B 3 7.240 -0.848 9.448 1.00 0.00 H new ATOM 0 HG13 ILE B 3 6.648 -1.603 10.914 1.00 0.00 H new ATOM 0 HG21 ILE B 3 5.442 1.615 9.454 1.00 0.00 H new ATOM 0 HG22 ILE B 3 6.422 2.650 10.520 1.00 0.00 H new ATOM 0 HG23 ILE B 3 7.207 1.697 9.238 1.00 0.00 H new ATOM 0 HD11 ILE B 3 5.108 -1.981 9.051 1.00 0.00 H new ATOM 0 HD12 ILE B 3 4.333 -0.992 10.311 1.00 0.00 H new ATOM 0 HD13 ILE B 3 4.934 -0.225 8.821 1.00 0.00 H new ATOM 846 N ALA B 4 9.743 -0.518 10.587 1.00 0.00 N ATOM 847 CA ALA B 4 10.866 -0.640 9.676 1.00 0.00 C ATOM 848 C ALA B 4 10.624 -1.733 8.649 1.00 0.00 C ATOM 849 O ALA B 4 9.746 -2.581 8.825 1.00 0.00 O ATOM 850 CB ALA B 4 12.153 -0.904 10.440 1.00 0.00 C ATOM 0 H ALA B 4 9.524 -1.366 11.111 1.00 0.00 H new ATOM 0 HA ALA B 4 10.967 0.306 9.145 1.00 0.00 H new ATOM 0 HB1 ALA B 4 12.982 -0.992 9.737 1.00 0.00 H new ATOM 0 HB2 ALA B 4 12.345 -0.079 11.126 1.00 0.00 H new ATOM 0 HB3 ALA B 4 12.057 -1.831 11.005 1.00 0.00 H new ATOM 856 N THR B 5 11.405 -1.703 7.581 1.00 0.00 N ATOM 857 CA THR B 5 11.300 -2.679 6.508 1.00 0.00 C ATOM 858 C THR B 5 11.509 -4.103 7.024 1.00 0.00 C ATOM 859 O THR B 5 10.909 -5.049 6.524 1.00 0.00 O ATOM 860 CB THR B 5 12.346 -2.376 5.417 1.00 0.00 C ATOM 861 OG1 THR B 5 12.243 -1.002 5.018 1.00 0.00 O ATOM 862 CG2 THR B 5 12.166 -3.278 4.205 1.00 0.00 C ATOM 0 H THR B 5 12.130 -1.001 7.433 1.00 0.00 H new ATOM 0 HA THR B 5 10.295 -2.607 6.092 1.00 0.00 H new ATOM 0 HB THR B 5 13.334 -2.568 5.835 1.00 0.00 H new ATOM 0 HG1 THR B 5 12.910 -0.812 4.326 1.00 0.00 H new ATOM 0 HG21 THR B 5 12.920 -3.036 3.456 1.00 0.00 H new ATOM 0 HG22 THR B 5 12.275 -4.320 4.507 1.00 0.00 H new ATOM 0 HG23 THR B 5 11.173 -3.125 3.782 1.00 0.00 H new ATOM 870 N ASP B 6 12.301 -4.235 8.080 1.00 0.00 N ATOM 871 CA ASP B 6 12.772 -5.542 8.524 1.00 0.00 C ATOM 872 C ASP B 6 11.745 -6.267 9.384 1.00 0.00 C ATOM 873 O ASP B 6 11.999 -7.377 9.852 1.00 0.00 O ATOM 874 CB ASP B 6 14.078 -5.391 9.306 1.00 0.00 C ATOM 875 CG ASP B 6 15.188 -4.785 8.475 1.00 0.00 C ATOM 876 OD1 ASP B 6 15.914 -5.541 7.794 1.00 0.00 O ATOM 877 OD2 ASP B 6 15.338 -3.544 8.491 1.00 0.00 O ATOM 0 H ASP B 6 12.631 -3.453 8.646 1.00 0.00 H new ATOM 0 HA ASP B 6 12.938 -6.143 7.630 1.00 0.00 H new ATOM 0 HB2 ASP B 6 13.902 -4.766 10.182 1.00 0.00 H new ATOM 0 HB3 ASP B 6 14.394 -6.369 9.670 1.00 0.00 H new ATOM 882 N ASP B 7 10.592 -5.647 9.612 1.00 0.00 N ATOM 883 CA ASP B 7 9.526 -6.313 10.357 1.00 0.00 C ATOM 884 C ASP B 7 8.448 -6.841 9.420 1.00 0.00 C ATOM 885 O ASP B 7 7.709 -7.765 9.766 1.00 0.00 O ATOM 886 CB ASP B 7 8.874 -5.341 11.353 1.00 0.00 C ATOM 887 CG ASP B 7 9.833 -4.807 12.398 1.00 0.00 C ATOM 888 OD1 ASP B 7 10.567 -3.837 12.101 1.00 0.00 O ATOM 889 OD2 ASP B 7 9.839 -5.335 13.530 1.00 0.00 O ATOM 0 H ASP B 7 10.372 -4.701 9.299 1.00 0.00 H new ATOM 0 HA ASP B 7 9.979 -7.147 10.894 1.00 0.00 H new ATOM 0 HB2 ASP B 7 8.447 -4.503 10.803 1.00 0.00 H new ATOM 0 HB3 ASP B 7 8.049 -5.847 11.854 1.00 0.00 H new ATOM 894 N LEU B 8 8.353 -6.265 8.231 1.00 0.00 N ATOM 895 CA LEU B 8 7.333 -6.684 7.274 1.00 0.00 C ATOM 896 C LEU B 8 7.952 -7.344 6.056 1.00 0.00 C ATOM 897 O LEU B 8 7.276 -8.063 5.317 1.00 0.00 O ATOM 898 CB LEU B 8 6.454 -5.508 6.851 1.00 0.00 C ATOM 899 CG LEU B 8 5.379 -5.108 7.865 1.00 0.00 C ATOM 900 CD1 LEU B 8 5.992 -4.446 9.088 1.00 0.00 C ATOM 901 CD2 LEU B 8 4.356 -4.193 7.218 1.00 0.00 C ATOM 0 H LEU B 8 8.961 -5.514 7.905 1.00 0.00 H new ATOM 0 HA LEU B 8 6.704 -7.420 7.776 1.00 0.00 H new ATOM 0 HB2 LEU B 8 7.093 -4.645 6.662 1.00 0.00 H new ATOM 0 HB3 LEU B 8 5.968 -5.758 5.908 1.00 0.00 H new ATOM 0 HG LEU B 8 4.875 -6.016 8.197 1.00 0.00 H new ATOM 0 HD11 LEU B 8 5.203 -4.174 9.789 1.00 0.00 H new ATOM 0 HD12 LEU B 8 6.682 -5.139 9.570 1.00 0.00 H new ATOM 0 HD13 LEU B 8 6.532 -3.549 8.784 1.00 0.00 H new ATOM 0 HD21 LEU B 8 3.599 -3.918 7.952 1.00 0.00 H new ATOM 0 HD22 LEU B 8 4.852 -3.293 6.853 1.00 0.00 H new ATOM 0 HD23 LEU B 8 3.882 -4.710 6.384 1.00 0.00 H new ATOM 913 N GLU B 9 9.236 -7.107 5.860 1.00 0.00 N ATOM 914 CA GLU B 9 9.971 -7.733 4.780 1.00 0.00 C ATOM 915 C GLU B 9 11.248 -8.347 5.320 1.00 0.00 C ATOM 916 O GLU B 9 11.984 -7.726 6.089 1.00 0.00 O ATOM 917 CB GLU B 9 10.290 -6.740 3.659 1.00 0.00 C ATOM 918 CG GLU B 9 9.055 -6.222 2.945 1.00 0.00 C ATOM 919 CD GLU B 9 9.384 -5.395 1.720 1.00 0.00 C ATOM 920 OE1 GLU B 9 10.095 -4.378 1.849 1.00 0.00 O ATOM 921 OE2 GLU B 9 8.921 -5.760 0.621 1.00 0.00 O ATOM 0 H GLU B 9 9.794 -6.480 6.440 1.00 0.00 H new ATOM 0 HA GLU B 9 9.343 -8.515 4.353 1.00 0.00 H new ATOM 0 HB2 GLU B 9 10.840 -5.897 4.076 1.00 0.00 H new ATOM 0 HB3 GLU B 9 10.946 -7.221 2.933 1.00 0.00 H new ATOM 0 HG2 GLU B 9 8.431 -7.066 2.650 1.00 0.00 H new ATOM 0 HG3 GLU B 9 8.468 -5.618 3.637 1.00 0.00 H new ATOM 928 N VAL B 10 11.495 -9.570 4.919 1.00 0.00 N ATOM 929 CA VAL B 10 12.655 -10.302 5.362 1.00 0.00 C ATOM 930 C VAL B 10 13.411 -10.807 4.145 1.00 0.00 C ATOM 931 O VAL B 10 12.809 -11.222 3.154 1.00 0.00 O ATOM 932 CB VAL B 10 12.262 -11.475 6.296 1.00 0.00 C ATOM 933 CG1 VAL B 10 11.311 -12.440 5.602 1.00 0.00 C ATOM 934 CG2 VAL B 10 13.494 -12.208 6.804 1.00 0.00 C ATOM 0 H VAL B 10 10.896 -10.086 4.275 1.00 0.00 H new ATOM 0 HA VAL B 10 13.296 -9.637 5.941 1.00 0.00 H new ATOM 0 HB VAL B 10 11.742 -11.049 7.154 1.00 0.00 H new ATOM 0 HG11 VAL B 10 11.054 -13.251 6.283 1.00 0.00 H new ATOM 0 HG12 VAL B 10 10.404 -11.910 5.310 1.00 0.00 H new ATOM 0 HG13 VAL B 10 11.793 -12.850 4.714 1.00 0.00 H new ATOM 0 HG21 VAL B 10 13.188 -13.026 7.457 1.00 0.00 H new ATOM 0 HG22 VAL B 10 14.053 -12.609 5.959 1.00 0.00 H new ATOM 0 HG23 VAL B 10 14.125 -11.516 7.361 1.00 0.00 H new ATOM 944 N ALA B 11 14.728 -10.730 4.205 1.00 0.00 N ATOM 945 CA ALA B 11 15.565 -11.157 3.103 1.00 0.00 C ATOM 946 C ALA B 11 15.421 -12.657 2.874 1.00 0.00 C ATOM 947 O ALA B 11 15.364 -13.433 3.829 1.00 0.00 O ATOM 948 CB ALA B 11 17.008 -10.780 3.416 1.00 0.00 C ATOM 0 H ALA B 11 15.242 -10.373 5.011 1.00 0.00 H new ATOM 0 HA ALA B 11 15.256 -10.659 2.184 1.00 0.00 H new ATOM 0 HB1 ALA B 11 17.653 -11.095 2.595 1.00 0.00 H new ATOM 0 HB2 ALA B 11 17.083 -9.700 3.542 1.00 0.00 H new ATOM 0 HB3 ALA B 11 17.322 -11.275 4.335 1.00 0.00 H new ATOM 954 N CYS B 12 15.336 -13.046 1.597 1.00 0.00 N ATOM 955 CA CYS B 12 15.045 -14.420 1.185 1.00 0.00 C ATOM 956 C CYS B 12 15.993 -15.479 1.753 1.00 0.00 C ATOM 957 O CYS B 12 17.052 -15.163 2.298 1.00 0.00 O ATOM 958 CB CYS B 12 15.094 -14.506 -0.338 1.00 0.00 C ATOM 959 SG CYS B 12 13.582 -13.968 -1.135 1.00 0.00 S ATOM 0 H CYS B 12 15.469 -12.407 0.813 1.00 0.00 H new ATOM 0 HA CYS B 12 14.056 -14.642 1.587 1.00 0.00 H new ATOM 0 HB2 CYS B 12 15.923 -13.898 -0.702 1.00 0.00 H new ATOM 0 HB3 CYS B 12 15.302 -15.536 -0.629 1.00 0.00 H new ATOM 964 N PRO B 13 15.606 -16.768 1.603 1.00 0.00 N ATOM 965 CA PRO B 13 16.473 -17.914 1.919 1.00 0.00 C ATOM 966 C PRO B 13 17.836 -17.841 1.230 1.00 0.00 C ATOM 967 O PRO B 13 18.847 -18.290 1.766 1.00 0.00 O ATOM 968 CB PRO B 13 15.678 -19.093 1.340 1.00 0.00 C ATOM 969 CG PRO B 13 14.256 -18.688 1.459 1.00 0.00 C ATOM 970 CD PRO B 13 14.256 -17.211 1.168 1.00 0.00 C ATOM 0 HA PRO B 13 16.693 -17.974 2.985 1.00 0.00 H new ATOM 0 HB2 PRO B 13 15.950 -19.281 0.301 1.00 0.00 H new ATOM 0 HB3 PRO B 13 15.875 -20.012 1.892 1.00 0.00 H new ATOM 0 HG2 PRO B 13 13.629 -19.231 0.752 1.00 0.00 H new ATOM 0 HG3 PRO B 13 13.867 -18.896 2.456 1.00 0.00 H new ATOM 0 HD2 PRO B 13 14.090 -17.011 0.109 1.00 0.00 H new ATOM 0 HD3 PRO B 13 13.469 -16.694 1.717 1.00 0.00 H new ATOM 978 N LYS B 14 17.850 -17.257 0.036 1.00 0.00 N ATOM 979 CA LYS B 14 19.009 -17.364 -0.836 1.00 0.00 C ATOM 980 C LYS B 14 19.184 -16.156 -1.765 1.00 0.00 C ATOM 981 O LYS B 14 20.305 -15.831 -2.125 1.00 0.00 O ATOM 982 CB LYS B 14 18.883 -18.638 -1.686 1.00 0.00 C ATOM 983 CG LYS B 14 19.973 -18.804 -2.740 1.00 0.00 C ATOM 984 CD LYS B 14 19.776 -20.072 -3.566 1.00 0.00 C ATOM 985 CE LYS B 14 20.748 -20.135 -4.735 1.00 0.00 C ATOM 986 NZ LYS B 14 22.162 -20.209 -4.287 1.00 0.00 N ATOM 0 H LYS B 14 17.078 -16.710 -0.345 1.00 0.00 H new ATOM 0 HA LYS B 14 19.888 -17.401 -0.193 1.00 0.00 H new ATOM 0 HB2 LYS B 14 18.899 -19.504 -1.025 1.00 0.00 H new ATOM 0 HB3 LYS B 14 17.913 -18.634 -2.182 1.00 0.00 H new ATOM 0 HG2 LYS B 14 19.975 -17.937 -3.400 1.00 0.00 H new ATOM 0 HG3 LYS B 14 20.948 -18.836 -2.253 1.00 0.00 H new ATOM 0 HD2 LYS B 14 19.914 -20.946 -2.930 1.00 0.00 H new ATOM 0 HD3 LYS B 14 18.753 -20.108 -3.940 1.00 0.00 H new ATOM 0 HE2 LYS B 14 20.518 -21.005 -5.350 1.00 0.00 H new ATOM 0 HE3 LYS B 14 20.614 -19.255 -5.364 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 22.784 -20.301 -5.115 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 22.407 -19.343 -3.765 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 22.287 -21.034 -3.667 1.00 0.00 H new ATOM 1000 N CYS B 15 18.109 -15.478 -2.176 1.00 0.00 N ATOM 1001 CA CYS B 15 18.248 -14.507 -3.269 1.00 0.00 C ATOM 1002 C CYS B 15 17.993 -13.065 -2.874 1.00 0.00 C ATOM 1003 O CYS B 15 17.461 -12.287 -3.668 1.00 0.00 O ATOM 1004 CB CYS B 15 17.209 -14.854 -4.340 1.00 0.00 C ATOM 1005 SG CYS B 15 15.515 -14.890 -3.708 1.00 0.00 S ATOM 0 H CYS B 15 17.170 -15.574 -1.790 1.00 0.00 H new ATOM 0 HA CYS B 15 19.283 -14.576 -3.605 1.00 0.00 H new ATOM 0 HB2 CYS B 15 17.273 -14.125 -5.148 1.00 0.00 H new ATOM 0 HB3 CYS B 15 17.450 -15.827 -4.769 1.00 0.00 H new ATOM 1010 N GLU B 16 18.496 -12.674 -1.728 1.00 0.00 N ATOM 1011 CA GLU B 16 18.306 -11.324 -1.230 1.00 0.00 C ATOM 1012 C GLU B 16 19.440 -10.461 -1.726 1.00 0.00 C ATOM 1013 O GLU B 16 19.863 -9.513 -1.068 1.00 0.00 O ATOM 1014 CB GLU B 16 18.322 -11.326 0.301 1.00 0.00 C ATOM 1015 CG GLU B 16 18.319 -12.707 0.935 1.00 0.00 C ATOM 1016 CD GLU B 16 19.715 -13.284 1.039 1.00 0.00 C ATOM 1017 OE1 GLU B 16 20.177 -13.900 0.063 1.00 0.00 O ATOM 1018 OE2 GLU B 16 20.358 -13.106 2.096 1.00 0.00 O ATOM 0 H GLU B 16 19.046 -13.275 -1.114 1.00 0.00 H new ATOM 0 HA GLU B 16 17.349 -10.939 -1.582 1.00 0.00 H new ATOM 0 HB2 GLU B 16 19.206 -10.787 0.642 1.00 0.00 H new ATOM 0 HB3 GLU B 16 17.453 -10.774 0.660 1.00 0.00 H new ATOM 0 HG2 GLU B 16 17.875 -12.649 1.929 1.00 0.00 H new ATOM 0 HG3 GLU B 16 17.693 -13.376 0.345 1.00 0.00 H new ATOM 1025 N ARG B 17 19.933 -10.799 -2.906 1.00 0.00 N ATOM 1026 CA ARG B 17 21.190 -10.293 -3.391 1.00 0.00 C ATOM 1027 C ARG B 17 21.103 -10.182 -4.911 1.00 0.00 C ATOM 1028 O ARG B 17 21.742 -9.333 -5.532 1.00 0.00 O ATOM 1029 CB ARG B 17 22.328 -11.236 -2.988 1.00 0.00 C ATOM 1030 CG ARG B 17 22.116 -12.672 -3.455 1.00 0.00 C ATOM 1031 CD ARG B 17 23.128 -13.629 -2.849 1.00 0.00 C ATOM 1032 NE ARG B 17 24.502 -13.297 -3.215 1.00 0.00 N ATOM 1033 CZ ARG B 17 25.574 -13.796 -2.599 1.00 0.00 C ATOM 1034 NH1 ARG B 17 25.429 -14.657 -1.597 1.00 0.00 N ATOM 1035 NH2 ARG B 17 26.791 -13.436 -2.985 1.00 0.00 N ATOM 0 H ARG B 17 19.465 -11.435 -3.551 1.00 0.00 H new ATOM 0 HA ARG B 17 21.395 -9.314 -2.958 1.00 0.00 H new ATOM 0 HB2 ARG B 17 23.264 -10.861 -3.401 1.00 0.00 H new ATOM 0 HB3 ARG B 17 22.432 -11.226 -1.903 1.00 0.00 H new ATOM 0 HG2 ARG B 17 21.109 -12.994 -3.188 1.00 0.00 H new ATOM 0 HG3 ARG B 17 22.186 -12.713 -4.542 1.00 0.00 H new ATOM 0 HD2 ARG B 17 23.031 -13.615 -1.763 1.00 0.00 H new ATOM 0 HD3 ARG B 17 22.904 -14.644 -3.176 1.00 0.00 H new ATOM 0 HE ARG B 17 24.650 -12.646 -3.986 1.00 0.00 H new ATOM 0 HH11 ARG B 17 24.495 -14.938 -1.297 1.00 0.00 H new ATOM 0 HH12 ARG B 17 26.251 -15.037 -1.128 1.00 0.00 H new ATOM 0 HH21 ARG B 17 26.908 -12.776 -3.754 1.00 0.00 H new ATOM 0 HH22 ARG B 17 27.610 -13.819 -2.513 1.00 0.00 H new ATOM 1049 N ALA B 18 20.274 -11.062 -5.492 1.00 0.00 N ATOM 1050 CA ALA B 18 20.209 -11.214 -6.941 1.00 0.00 C ATOM 1051 C ALA B 18 18.775 -11.260 -7.466 1.00 0.00 C ATOM 1052 O ALA B 18 18.506 -10.843 -8.591 1.00 0.00 O ATOM 1053 CB ALA B 18 20.968 -12.464 -7.365 1.00 0.00 C ATOM 0 H ALA B 18 19.643 -11.675 -4.976 1.00 0.00 H new ATOM 0 HA ALA B 18 20.676 -10.332 -7.380 1.00 0.00 H new ATOM 0 HB1 ALA B 18 20.915 -12.572 -8.448 1.00 0.00 H new ATOM 0 HB2 ALA B 18 22.011 -12.378 -7.059 1.00 0.00 H new ATOM 0 HB3 ALA B 18 20.522 -13.339 -6.892 1.00 0.00 H new ATOM 1059 N GLY B 19 17.853 -11.765 -6.650 1.00 0.00 N ATOM 1060 CA GLY B 19 16.462 -11.821 -7.060 1.00 0.00 C ATOM 1061 C GLY B 19 16.130 -13.062 -7.870 1.00 0.00 C ATOM 1062 O GLY B 19 15.114 -13.105 -8.558 1.00 0.00 O ATOM 0 H GLY B 19 18.043 -12.134 -5.718 1.00 0.00 H new ATOM 0 HA2 GLY B 19 15.827 -11.791 -6.175 1.00 0.00 H new ATOM 0 HA3 GLY B 19 16.227 -10.935 -7.650 1.00 0.00 H new ATOM 1066 N GLU B 20 16.945 -14.093 -7.731 1.00 0.00 N ATOM 1067 CA GLU B 20 16.798 -15.293 -8.543 1.00 0.00 C ATOM 1068 C GLU B 20 17.177 -16.534 -7.751 1.00 0.00 C ATOM 1069 O GLU B 20 17.849 -16.450 -6.724 1.00 0.00 O ATOM 1070 CB GLU B 20 17.674 -15.206 -9.797 1.00 0.00 C ATOM 1071 CG GLU B 20 19.113 -14.820 -9.490 1.00 0.00 C ATOM 1072 CD GLU B 20 20.067 -15.100 -10.631 1.00 0.00 C ATOM 1073 OE1 GLU B 20 20.168 -14.259 -11.548 1.00 0.00 O ATOM 1074 OE2 GLU B 20 20.737 -16.155 -10.601 1.00 0.00 O ATOM 0 H GLU B 20 17.716 -14.125 -7.064 1.00 0.00 H new ATOM 0 HA GLU B 20 15.751 -15.366 -8.838 1.00 0.00 H new ATOM 0 HB2 GLU B 20 17.663 -16.168 -10.309 1.00 0.00 H new ATOM 0 HB3 GLU B 20 17.246 -14.475 -10.483 1.00 0.00 H new ATOM 0 HG2 GLU B 20 19.152 -13.759 -9.246 1.00 0.00 H new ATOM 0 HG3 GLU B 20 19.446 -15.363 -8.606 1.00 0.00 H new ATOM 1081 N ILE B 21 16.726 -17.676 -8.231 1.00 0.00 N ATOM 1082 CA ILE B 21 17.145 -18.962 -7.713 1.00 0.00 C ATOM 1083 C ILE B 21 17.677 -19.770 -8.881 1.00 0.00 C ATOM 1084 O ILE B 21 16.902 -20.293 -9.675 1.00 0.00 O ATOM 1085 CB ILE B 21 15.993 -19.750 -7.033 1.00 0.00 C ATOM 1086 CG1 ILE B 21 15.411 -18.976 -5.843 1.00 0.00 C ATOM 1087 CG2 ILE B 21 16.472 -21.127 -6.580 1.00 0.00 C ATOM 1088 CD1 ILE B 21 16.382 -18.748 -4.699 1.00 0.00 C ATOM 0 H ILE B 21 16.054 -17.737 -8.996 1.00 0.00 H new ATOM 0 HA ILE B 21 17.901 -18.793 -6.946 1.00 0.00 H new ATOM 0 HB ILE B 21 15.203 -19.878 -7.773 1.00 0.00 H new ATOM 0 HG12 ILE B 21 15.053 -18.009 -6.196 1.00 0.00 H new ATOM 0 HG13 ILE B 21 14.544 -19.517 -5.464 1.00 0.00 H new ATOM 0 HG21 ILE B 21 15.648 -21.661 -6.106 1.00 0.00 H new ATOM 0 HG22 ILE B 21 16.822 -21.693 -7.443 1.00 0.00 H new ATOM 0 HG23 ILE B 21 17.288 -21.012 -5.866 1.00 0.00 H new ATOM 0 HD11 ILE B 21 15.884 -18.194 -3.904 1.00 0.00 H new ATOM 0 HD12 ILE B 21 16.722 -19.709 -4.313 1.00 0.00 H new ATOM 0 HD13 ILE B 21 17.239 -18.177 -5.057 1.00 0.00 H new ATOM 1100 N GLU B 22 18.995 -19.827 -8.995 1.00 0.00 N ATOM 1101 CA GLU B 22 19.650 -20.546 -10.083 1.00 0.00 C ATOM 1102 C GLU B 22 19.325 -19.932 -11.439 1.00 0.00 C ATOM 1103 O GLU B 22 18.908 -20.639 -12.357 1.00 0.00 O ATOM 1104 CB GLU B 22 19.193 -22.001 -10.072 1.00 0.00 C ATOM 1105 CG GLU B 22 20.219 -22.963 -10.634 1.00 0.00 C ATOM 1106 CD GLU B 22 21.593 -22.750 -10.029 1.00 0.00 C ATOM 1107 OE1 GLU B 22 21.877 -23.327 -8.958 1.00 0.00 O ATOM 1108 OE2 GLU B 22 22.390 -21.983 -10.615 1.00 0.00 O ATOM 0 H GLU B 22 19.639 -19.380 -8.342 1.00 0.00 H new ATOM 0 HA GLU B 22 20.727 -20.481 -9.929 1.00 0.00 H new ATOM 0 HB2 GLU B 22 18.957 -22.291 -9.048 1.00 0.00 H new ATOM 0 HB3 GLU B 22 18.272 -22.088 -10.648 1.00 0.00 H new ATOM 0 HG2 GLU B 22 19.896 -23.987 -10.447 1.00 0.00 H new ATOM 0 HG3 GLU B 22 20.277 -22.840 -11.715 1.00 0.00 H new ATOM 1115 N GLY B 23 19.504 -18.624 -11.578 1.00 0.00 N ATOM 1116 CA GLY B 23 19.140 -17.963 -12.821 1.00 0.00 C ATOM 1117 C GLY B 23 17.669 -18.097 -13.145 1.00 0.00 C ATOM 1118 O GLY B 23 17.223 -17.747 -14.240 1.00 0.00 O ATOM 0 H GLY B 23 19.891 -18.012 -10.860 1.00 0.00 H new ATOM 0 HA2 GLY B 23 19.398 -16.906 -12.755 1.00 0.00 H new ATOM 0 HA3 GLY B 23 19.727 -18.384 -13.637 1.00 0.00 H new ATOM 1122 N THR B 24 16.920 -18.613 -12.196 1.00 0.00 N ATOM 1123 CA THR B 24 15.524 -18.907 -12.396 1.00 0.00 C ATOM 1124 C THR B 24 14.660 -18.089 -11.425 1.00 0.00 C ATOM 1125 O THR B 24 15.085 -17.792 -10.307 1.00 0.00 O ATOM 1126 CB THR B 24 15.355 -20.431 -12.222 1.00 0.00 C ATOM 1127 OG1 THR B 24 15.186 -21.054 -13.501 1.00 0.00 O ATOM 1128 CG2 THR B 24 14.209 -20.819 -11.297 1.00 0.00 C ATOM 0 H THR B 24 17.265 -18.840 -11.263 1.00 0.00 H new ATOM 0 HA THR B 24 15.189 -18.624 -13.394 1.00 0.00 H new ATOM 0 HB THR B 24 16.267 -20.788 -11.745 1.00 0.00 H new ATOM 0 HG1 THR B 24 15.081 -22.021 -13.382 1.00 0.00 H new ATOM 0 HG21 THR B 24 14.152 -21.905 -11.224 1.00 0.00 H new ATOM 0 HG22 THR B 24 14.382 -20.397 -10.307 1.00 0.00 H new ATOM 0 HG23 THR B 24 13.272 -20.433 -11.697 1.00 0.00 H new ATOM 1136 N PRO B 25 13.450 -17.678 -11.863 1.00 0.00 N ATOM 1137 CA PRO B 25 12.563 -16.805 -11.079 1.00 0.00 C ATOM 1138 C PRO B 25 12.258 -17.383 -9.704 1.00 0.00 C ATOM 1139 O PRO B 25 11.839 -18.533 -9.574 1.00 0.00 O ATOM 1140 CB PRO B 25 11.288 -16.713 -11.929 1.00 0.00 C ATOM 1141 CG PRO B 25 11.370 -17.876 -12.859 1.00 0.00 C ATOM 1142 CD PRO B 25 12.832 -18.054 -13.144 1.00 0.00 C ATOM 0 HA PRO B 25 13.018 -15.834 -10.884 1.00 0.00 H new ATOM 0 HB2 PRO B 25 10.393 -16.764 -11.308 1.00 0.00 H new ATOM 0 HB3 PRO B 25 11.243 -15.771 -12.476 1.00 0.00 H new ATOM 0 HG2 PRO B 25 10.946 -18.772 -12.406 1.00 0.00 H new ATOM 0 HG3 PRO B 25 10.811 -17.687 -13.775 1.00 0.00 H new ATOM 0 HD2 PRO B 25 13.070 -19.080 -13.424 1.00 0.00 H new ATOM 0 HD3 PRO B 25 13.168 -17.415 -13.961 1.00 0.00 H new ATOM 1150 N CYS B 26 12.467 -16.571 -8.681 1.00 0.00 N ATOM 1151 CA CYS B 26 12.414 -17.049 -7.313 1.00 0.00 C ATOM 1152 C CYS B 26 10.987 -17.084 -6.758 1.00 0.00 C ATOM 1153 O CYS B 26 10.249 -16.106 -6.873 1.00 0.00 O ATOM 1154 CB CYS B 26 13.287 -16.171 -6.429 1.00 0.00 C ATOM 1155 SG CYS B 26 13.351 -16.720 -4.700 1.00 0.00 S ATOM 0 H CYS B 26 12.675 -15.577 -8.774 1.00 0.00 H new ATOM 0 HA CYS B 26 12.786 -18.073 -7.313 1.00 0.00 H new ATOM 0 HB2 CYS B 26 14.299 -16.154 -6.834 1.00 0.00 H new ATOM 0 HB3 CYS B 26 12.912 -15.148 -6.463 1.00 0.00 H new ATOM 1160 N PRO B 27 10.644 -18.210 -6.089 1.00 0.00 N ATOM 1161 CA PRO B 27 9.315 -18.530 -5.541 1.00 0.00 C ATOM 1162 C PRO B 27 8.422 -17.348 -5.145 1.00 0.00 C ATOM 1163 O PRO B 27 7.313 -17.202 -5.651 1.00 0.00 O ATOM 1164 CB PRO B 27 9.689 -19.312 -4.285 1.00 0.00 C ATOM 1165 CG PRO B 27 10.950 -20.041 -4.622 1.00 0.00 C ATOM 1166 CD PRO B 27 11.570 -19.330 -5.813 1.00 0.00 C ATOM 0 HA PRO B 27 8.713 -19.036 -6.296 1.00 0.00 H new ATOM 0 HB2 PRO B 27 9.838 -18.643 -3.437 1.00 0.00 H new ATOM 0 HB3 PRO B 27 8.897 -20.008 -4.007 1.00 0.00 H new ATOM 0 HG2 PRO B 27 11.634 -20.040 -3.774 1.00 0.00 H new ATOM 0 HG3 PRO B 27 10.740 -21.083 -4.862 1.00 0.00 H new ATOM 0 HD2 PRO B 27 12.573 -18.970 -5.584 1.00 0.00 H new ATOM 0 HD3 PRO B 27 11.658 -19.995 -6.672 1.00 0.00 H new ATOM 1174 N ALA B 28 8.917 -16.498 -4.254 1.00 0.00 N ATOM 1175 CA ALA B 28 8.046 -15.558 -3.552 1.00 0.00 C ATOM 1176 C ALA B 28 8.536 -14.116 -3.639 1.00 0.00 C ATOM 1177 O ALA B 28 7.912 -13.213 -3.088 1.00 0.00 O ATOM 1178 CB ALA B 28 7.907 -15.970 -2.093 1.00 0.00 C ATOM 0 H ALA B 28 9.903 -16.438 -4.001 1.00 0.00 H new ATOM 0 HA ALA B 28 7.075 -15.595 -4.047 1.00 0.00 H new ATOM 0 HB1 ALA B 28 7.256 -15.265 -1.576 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.476 -16.970 -2.037 1.00 0.00 H new ATOM 0 HB3 ALA B 28 8.889 -15.971 -1.620 1.00 0.00 H new ATOM 1184 N CYS B 29 9.652 -13.888 -4.318 1.00 0.00 N ATOM 1185 CA CYS B 29 10.170 -12.526 -4.397 1.00 0.00 C ATOM 1186 C CYS B 29 10.354 -12.058 -5.832 1.00 0.00 C ATOM 1187 O CYS B 29 10.562 -10.875 -6.053 1.00 0.00 O ATOM 1188 CB CYS B 29 11.506 -12.413 -3.649 1.00 0.00 C ATOM 1189 SG CYS B 29 12.881 -13.343 -4.416 1.00 0.00 S ATOM 0 H CYS B 29 10.200 -14.597 -4.806 1.00 0.00 H new ATOM 0 HA CYS B 29 9.427 -11.882 -3.927 1.00 0.00 H new ATOM 0 HB2 CYS B 29 11.785 -11.361 -3.586 1.00 0.00 H new ATOM 0 HB3 CYS B 29 11.368 -12.768 -2.628 1.00 0.00 H new ATOM 1194 N SER B 30 10.290 -12.986 -6.786 1.00 0.00 N ATOM 1195 CA SER B 30 10.271 -12.662 -8.222 1.00 0.00 C ATOM 1196 C SER B 30 11.225 -11.519 -8.626 1.00 0.00 C ATOM 1197 O SER B 30 10.875 -10.682 -9.459 1.00 0.00 O ATOM 1198 CB SER B 30 8.837 -12.310 -8.625 1.00 0.00 C ATOM 1199 OG SER B 30 7.925 -13.281 -8.130 1.00 0.00 O ATOM 0 H SER B 30 10.250 -13.986 -6.590 1.00 0.00 H new ATOM 0 HA SER B 30 10.630 -13.545 -8.751 1.00 0.00 H new ATOM 0 HB2 SER B 30 8.575 -11.326 -8.236 1.00 0.00 H new ATOM 0 HB3 SER B 30 8.762 -12.253 -9.711 1.00 0.00 H new ATOM 0 HG SER B 30 7.013 -13.039 -8.396 1.00 0.00 H new ATOM 1205 N GLY B 31 12.418 -11.473 -8.033 1.00 0.00 N ATOM 1206 CA GLY B 31 13.410 -10.502 -8.463 1.00 0.00 C ATOM 1207 C GLY B 31 13.373 -9.213 -7.671 1.00 0.00 C ATOM 1208 O GLY B 31 13.423 -8.125 -8.243 1.00 0.00 O ATOM 0 H GLY B 31 12.712 -12.084 -7.271 1.00 0.00 H new ATOM 0 HA2 GLY B 31 14.402 -10.945 -8.376 1.00 0.00 H new ATOM 0 HA3 GLY B 31 13.253 -10.276 -9.518 1.00 0.00 H new ATOM 1212 N LYS B 32 13.287 -9.330 -6.352 1.00 0.00 N ATOM 1213 CA LYS B 32 13.260 -8.166 -5.473 1.00 0.00 C ATOM 1214 C LYS B 32 14.314 -8.304 -4.382 1.00 0.00 C ATOM 1215 O LYS B 32 14.929 -7.322 -3.973 1.00 0.00 O ATOM 1216 CB LYS B 32 11.871 -8.010 -4.863 1.00 0.00 C ATOM 1217 CG LYS B 32 10.814 -7.854 -5.933 1.00 0.00 C ATOM 1218 CD LYS B 32 9.442 -7.541 -5.376 1.00 0.00 C ATOM 1219 CE LYS B 32 8.819 -8.714 -4.642 1.00 0.00 C ATOM 1220 NZ LYS B 32 7.348 -8.545 -4.543 1.00 0.00 N ATOM 0 H LYS B 32 13.234 -10.224 -5.864 1.00 0.00 H new ATOM 0 HA LYS B 32 13.487 -7.274 -6.056 1.00 0.00 H new ATOM 0 HB2 LYS B 32 11.642 -8.880 -4.247 1.00 0.00 H new ATOM 0 HB3 LYS B 32 11.856 -7.141 -4.205 1.00 0.00 H new ATOM 0 HG2 LYS B 32 11.112 -7.058 -6.615 1.00 0.00 H new ATOM 0 HG3 LYS B 32 10.761 -8.772 -6.518 1.00 0.00 H new ATOM 0 HD2 LYS B 32 9.517 -6.692 -4.696 1.00 0.00 H new ATOM 0 HD3 LYS B 32 8.785 -7.239 -6.192 1.00 0.00 H new ATOM 0 HE2 LYS B 32 9.050 -9.642 -5.166 1.00 0.00 H new ATOM 0 HE3 LYS B 32 9.249 -8.796 -3.644 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 6.996 -9.049 -3.704 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 7.120 -7.534 -4.461 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 6.896 -8.934 -5.395 1.00 0.00 H new ATOM 1234 N GLY B 33 14.517 -9.532 -3.906 1.00 0.00 N ATOM 1235 CA GLY B 33 15.509 -9.779 -2.898 1.00 0.00 C ATOM 1236 C GLY B 33 14.876 -10.211 -1.597 1.00 0.00 C ATOM 1237 O GLY B 33 15.374 -11.117 -0.932 1.00 0.00 O ATOM 0 H GLY B 33 14.003 -10.359 -4.210 1.00 0.00 H new ATOM 0 HA2 GLY B 33 16.197 -10.551 -3.244 1.00 0.00 H new ATOM 0 HA3 GLY B 33 16.098 -8.876 -2.736 1.00 0.00 H new ATOM 1241 N VAL B 34 13.746 -9.610 -1.248 1.00 0.00 N ATOM 1242 CA VAL B 34 13.114 -9.898 0.036 1.00 0.00 C ATOM 1243 C VAL B 34 11.709 -10.466 -0.130 1.00 0.00 C ATOM 1244 O VAL B 34 11.129 -10.426 -1.221 1.00 0.00 O ATOM 1245 CB VAL B 34 13.028 -8.629 0.917 1.00 0.00 C ATOM 1246 CG1 VAL B 34 14.412 -8.071 1.214 1.00 0.00 C ATOM 1247 CG2 VAL B 34 12.157 -7.573 0.253 1.00 0.00 C ATOM 0 H VAL B 34 13.253 -8.929 -1.826 1.00 0.00 H new ATOM 0 HA VAL B 34 13.744 -10.644 0.521 1.00 0.00 H new ATOM 0 HB VAL B 34 12.569 -8.910 1.865 1.00 0.00 H new ATOM 0 HG11 VAL B 34 14.319 -7.180 1.835 1.00 0.00 H new ATOM 0 HG12 VAL B 34 15.001 -8.821 1.742 1.00 0.00 H new ATOM 0 HG13 VAL B 34 14.908 -7.812 0.279 1.00 0.00 H new ATOM 0 HG21 VAL B 34 12.109 -6.689 0.888 1.00 0.00 H new ATOM 0 HG22 VAL B 34 12.585 -7.303 -0.713 1.00 0.00 H new ATOM 0 HG23 VAL B 34 11.152 -7.969 0.107 1.00 0.00 H new ATOM 1257 N ILE B 35 11.186 -11.011 0.960 1.00 0.00 N ATOM 1258 CA ILE B 35 9.820 -11.509 1.007 1.00 0.00 C ATOM 1259 C ILE B 35 9.082 -10.950 2.223 1.00 0.00 C ATOM 1260 O ILE B 35 9.691 -10.374 3.119 1.00 0.00 O ATOM 1261 CB ILE B 35 9.773 -13.053 1.056 1.00 0.00 C ATOM 1262 CG1 ILE B 35 10.633 -13.577 2.213 1.00 0.00 C ATOM 1263 CG2 ILE B 35 10.228 -13.645 -0.270 1.00 0.00 C ATOM 1264 CD1 ILE B 35 10.597 -15.082 2.374 1.00 0.00 C ATOM 0 H ILE B 35 11.697 -11.120 1.836 1.00 0.00 H new ATOM 0 HA ILE B 35 9.330 -11.174 0.093 1.00 0.00 H new ATOM 0 HB ILE B 35 8.743 -13.364 1.228 1.00 0.00 H new ATOM 0 HG12 ILE B 35 11.665 -13.263 2.056 1.00 0.00 H new ATOM 0 HG13 ILE B 35 10.297 -13.114 3.141 1.00 0.00 H new ATOM 0 HG21 ILE B 35 10.188 -14.733 -0.216 1.00 0.00 H new ATOM 0 HG22 ILE B 35 9.572 -13.297 -1.068 1.00 0.00 H new ATOM 0 HG23 ILE B 35 11.251 -13.330 -0.478 1.00 0.00 H new ATOM 0 HD11 ILE B 35 11.230 -15.373 3.212 1.00 0.00 H new ATOM 0 HD12 ILE B 35 9.573 -15.403 2.564 1.00 0.00 H new ATOM 0 HD13 ILE B 35 10.963 -15.554 1.462 1.00 0.00 H new ATOM 1276 N LEU B 36 7.770 -11.131 2.241 1.00 0.00 N ATOM 1277 CA LEU B 36 6.923 -10.539 3.275 1.00 0.00 C ATOM 1278 C LEU B 36 6.803 -11.415 4.515 1.00 0.00 C ATOM 1279 O LEU B 36 7.135 -12.601 4.502 1.00 0.00 O ATOM 1280 CB LEU B 36 5.512 -10.290 2.734 1.00 0.00 C ATOM 1281 CG LEU B 36 5.439 -9.638 1.357 1.00 0.00 C ATOM 1282 CD1 LEU B 36 5.246 -10.686 0.270 1.00 0.00 C ATOM 1283 CD2 LEU B 36 4.327 -8.612 1.323 1.00 0.00 C ATOM 0 H LEU B 36 7.264 -11.685 1.550 1.00 0.00 H new ATOM 0 HA LEU B 36 7.405 -9.603 3.557 1.00 0.00 H new ATOM 0 HB2 LEU B 36 4.985 -11.243 2.693 1.00 0.00 H new ATOM 0 HB3 LEU B 36 4.976 -9.659 3.444 1.00 0.00 H new ATOM 0 HG LEU B 36 6.384 -9.130 1.164 1.00 0.00 H new ATOM 0 HD11 LEU B 36 5.197 -10.197 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU B 36 6.084 -11.383 0.284 1.00 0.00 H new ATOM 0 HD13 LEU B 36 4.319 -11.230 0.450 1.00 0.00 H new ATOM 0 HD21 LEU B 36 4.285 -8.154 0.335 1.00 0.00 H new ATOM 0 HD22 LEU B 36 3.376 -9.099 1.538 1.00 0.00 H new ATOM 0 HD23 LEU B 36 4.518 -7.843 2.072 1.00 0.00 H new ATOM 1295 N THR B 37 6.315 -10.799 5.582 1.00 0.00 N ATOM 1296 CA THR B 37 5.930 -11.502 6.794 1.00 0.00 C ATOM 1297 C THR B 37 4.408 -11.535 6.858 1.00 0.00 C ATOM 1298 O THR B 37 3.760 -10.958 5.992 1.00 0.00 O ATOM 1299 CB THR B 37 6.477 -10.794 8.052 1.00 0.00 C ATOM 1300 OG1 THR B 37 5.927 -9.471 8.149 1.00 0.00 O ATOM 1301 CG2 THR B 37 7.994 -10.702 8.011 1.00 0.00 C ATOM 0 H THR B 37 6.175 -9.790 5.630 1.00 0.00 H new ATOM 0 HA THR B 37 6.345 -12.509 6.769 1.00 0.00 H new ATOM 0 HB THR B 37 6.184 -11.382 8.922 1.00 0.00 H new ATOM 0 HG1 THR B 37 6.007 -9.150 9.072 1.00 0.00 H new ATOM 0 HG21 THR B 37 8.352 -10.199 8.909 1.00 0.00 H new ATOM 0 HG22 THR B 37 8.418 -11.705 7.963 1.00 0.00 H new ATOM 0 HG23 THR B 37 8.301 -10.136 7.131 1.00 0.00 H new ATOM 1309 N ALA B 38 3.831 -12.183 7.861 1.00 0.00 N ATOM 1310 CA ALA B 38 2.373 -12.283 7.954 1.00 0.00 C ATOM 1311 C ALA B 38 1.714 -10.907 7.976 1.00 0.00 C ATOM 1312 O ALA B 38 0.724 -10.684 7.283 1.00 0.00 O ATOM 1313 CB ALA B 38 1.970 -13.097 9.166 1.00 0.00 C ATOM 0 H ALA B 38 4.339 -12.644 8.616 1.00 0.00 H new ATOM 0 HA ALA B 38 2.019 -12.798 7.061 1.00 0.00 H new ATOM 0 HB1 ALA B 38 0.883 -13.160 9.217 1.00 0.00 H new ATOM 0 HB2 ALA B 38 2.388 -14.101 9.086 1.00 0.00 H new ATOM 0 HB3 ALA B 38 2.349 -12.618 10.069 1.00 0.00 H new ATOM 1319 N GLN B 39 2.259 -9.983 8.764 1.00 0.00 N ATOM 1320 CA GLN B 39 1.766 -8.610 8.762 1.00 0.00 C ATOM 1321 C GLN B 39 1.876 -8.000 7.366 1.00 0.00 C ATOM 1322 O GLN B 39 0.951 -7.336 6.894 1.00 0.00 O ATOM 1323 CB GLN B 39 2.523 -7.745 9.775 1.00 0.00 C ATOM 1324 CG GLN B 39 2.180 -6.268 9.674 1.00 0.00 C ATOM 1325 CD GLN B 39 2.733 -5.444 10.817 1.00 0.00 C ATOM 1326 OE1 GLN B 39 3.758 -5.778 11.406 1.00 0.00 O ATOM 1327 NE2 GLN B 39 2.058 -4.352 11.126 1.00 0.00 N ATOM 0 H GLN B 39 3.033 -10.158 9.405 1.00 0.00 H new ATOM 0 HA GLN B 39 0.716 -8.636 9.054 1.00 0.00 H new ATOM 0 HB2 GLN B 39 2.298 -8.096 10.782 1.00 0.00 H new ATOM 0 HB3 GLN B 39 3.595 -7.874 9.624 1.00 0.00 H new ATOM 0 HG2 GLN B 39 2.566 -5.876 8.733 1.00 0.00 H new ATOM 0 HG3 GLN B 39 1.096 -6.155 9.645 1.00 0.00 H new ATOM 0 HE21 GLN B 39 1.211 -4.113 10.610 1.00 0.00 H new ATOM 0 HE22 GLN B 39 2.383 -3.748 11.881 1.00 0.00 H new ATOM 1336 N GLY B 40 3.000 -8.244 6.704 1.00 0.00 N ATOM 1337 CA GLY B 40 3.191 -7.748 5.361 1.00 0.00 C ATOM 1338 C GLY B 40 2.254 -8.414 4.376 1.00 0.00 C ATOM 1339 O GLY B 40 1.841 -7.807 3.393 1.00 0.00 O ATOM 0 H GLY B 40 3.784 -8.779 7.078 1.00 0.00 H new ATOM 0 HA2 GLY B 40 3.028 -6.670 5.345 1.00 0.00 H new ATOM 0 HA3 GLY B 40 4.223 -7.919 5.054 1.00 0.00 H new ATOM 1343 N TYR B 41 1.904 -9.662 4.650 1.00 0.00 N ATOM 1344 CA TYR B 41 0.974 -10.397 3.808 1.00 0.00 C ATOM 1345 C TYR B 41 -0.444 -9.858 3.943 1.00 0.00 C ATOM 1346 O TYR B 41 -1.196 -9.846 2.967 1.00 0.00 O ATOM 1347 CB TYR B 41 1.010 -11.888 4.166 1.00 0.00 C ATOM 1348 CG TYR B 41 2.000 -12.701 3.358 1.00 0.00 C ATOM 1349 CD1 TYR B 41 1.636 -13.253 2.137 1.00 0.00 C ATOM 1350 CD2 TYR B 41 3.292 -12.922 3.815 1.00 0.00 C ATOM 1351 CE1 TYR B 41 2.531 -13.998 1.394 1.00 0.00 C ATOM 1352 CE2 TYR B 41 4.193 -13.667 3.079 1.00 0.00 C ATOM 1353 CZ TYR B 41 3.808 -14.202 1.869 1.00 0.00 C ATOM 1354 OH TYR B 41 4.702 -14.941 1.127 1.00 0.00 O ATOM 0 H TYR B 41 2.252 -10.188 5.452 1.00 0.00 H new ATOM 0 HA TYR B 41 1.282 -10.267 2.771 1.00 0.00 H new ATOM 0 HB2 TYR B 41 1.252 -11.990 5.224 1.00 0.00 H new ATOM 0 HB3 TYR B 41 0.014 -12.307 4.026 1.00 0.00 H new ATOM 0 HD1 TYR B 41 0.635 -13.097 1.762 1.00 0.00 H new ATOM 0 HD2 TYR B 41 3.598 -12.504 4.763 1.00 0.00 H new ATOM 0 HE1 TYR B 41 2.231 -14.418 0.445 1.00 0.00 H new ATOM 0 HE2 TYR B 41 5.194 -13.829 3.450 1.00 0.00 H new ATOM 0 HH TYR B 41 5.558 -14.990 1.601 1.00 0.00 H new ATOM 1364 N THR B 42 -0.803 -9.382 5.125 1.00 0.00 N ATOM 1365 CA THR B 42 -2.088 -8.722 5.305 1.00 0.00 C ATOM 1366 C THR B 42 -2.101 -7.378 4.572 1.00 0.00 C ATOM 1367 O THR B 42 -3.120 -6.958 4.009 1.00 0.00 O ATOM 1368 CB THR B 42 -2.381 -8.475 6.797 1.00 0.00 C ATOM 1369 OG1 THR B 42 -2.254 -9.696 7.534 1.00 0.00 O ATOM 1370 CG2 THR B 42 -3.778 -7.907 6.990 1.00 0.00 C ATOM 0 H THR B 42 -0.230 -9.439 5.967 1.00 0.00 H new ATOM 0 HA THR B 42 -2.855 -9.378 4.894 1.00 0.00 H new ATOM 0 HB THR B 42 -1.656 -7.750 7.167 1.00 0.00 H new ATOM 0 HG1 THR B 42 -2.550 -9.553 8.457 1.00 0.00 H new ATOM 0 HG21 THR B 42 -3.960 -7.742 8.052 1.00 0.00 H new ATOM 0 HG22 THR B 42 -3.863 -6.961 6.456 1.00 0.00 H new ATOM 0 HG23 THR B 42 -4.514 -8.611 6.601 1.00 0.00 H new ATOM 1378 N LEU B 43 -0.941 -6.736 4.530 1.00 0.00 N ATOM 1379 CA LEU B 43 -0.829 -5.412 3.944 1.00 0.00 C ATOM 1380 C LEU B 43 -0.612 -5.511 2.443 1.00 0.00 C ATOM 1381 O LEU B 43 -0.819 -4.536 1.730 1.00 0.00 O ATOM 1382 CB LEU B 43 0.326 -4.616 4.585 1.00 0.00 C ATOM 1383 CG LEU B 43 -0.067 -3.578 5.660 1.00 0.00 C ATOM 1384 CD1 LEU B 43 -1.025 -4.176 6.676 1.00 0.00 C ATOM 1385 CD2 LEU B 43 1.177 -3.061 6.362 1.00 0.00 C ATOM 0 H LEU B 43 -0.066 -7.113 4.895 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.763 -4.884 4.137 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.022 -5.325 5.033 1.00 0.00 H new ATOM 0 HB3 LEU B 43 0.865 -4.098 3.792 1.00 0.00 H new ATOM 0 HG LEU B 43 -0.572 -2.750 5.163 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -1.284 -3.422 7.420 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -1.930 -4.511 6.169 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -0.550 -5.024 7.169 1.00 0.00 H new ATOM 0 HD21 LEU B 43 0.891 -2.330 7.118 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.697 -3.892 6.839 1.00 0.00 H new ATOM 0 HD23 LEU B 43 1.837 -2.590 5.633 1.00 0.00 H new ATOM 1397 N LEU B 44 -0.231 -6.685 1.944 1.00 0.00 N ATOM 1398 CA LEU B 44 0.002 -6.835 0.516 1.00 0.00 C ATOM 1399 C LEU B 44 -1.318 -7.057 -0.215 1.00 0.00 C ATOM 1400 O LEU B 44 -1.548 -6.479 -1.267 1.00 0.00 O ATOM 1401 CB LEU B 44 1.022 -7.962 0.216 1.00 0.00 C ATOM 1402 CG LEU B 44 0.476 -9.386 -0.003 1.00 0.00 C ATOM 1403 CD1 LEU B 44 -0.094 -9.554 -1.409 1.00 0.00 C ATOM 1404 CD2 LEU B 44 1.571 -10.413 0.207 1.00 0.00 C ATOM 0 H LEU B 44 -0.080 -7.529 2.497 1.00 0.00 H new ATOM 0 HA LEU B 44 0.443 -5.910 0.145 1.00 0.00 H new ATOM 0 HB2 LEU B 44 1.583 -7.678 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU B 44 1.733 -7.999 1.042 1.00 0.00 H new ATOM 0 HG LEU B 44 -0.322 -9.541 0.723 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -0.471 -10.570 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -0.908 -8.845 -1.559 1.00 0.00 H new ATOM 0 HD13 LEU B 44 0.689 -9.367 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU B 44 1.167 -11.413 0.048 1.00 0.00 H new ATOM 0 HD22 LEU B 44 2.380 -10.232 -0.500 1.00 0.00 H new ATOM 0 HD23 LEU B 44 1.954 -10.334 1.224 1.00 0.00 H new ATOM 1416 N ASP B 45 -2.198 -7.875 0.356 1.00 0.00 N ATOM 1417 CA ASP B 45 -3.465 -8.201 -0.298 1.00 0.00 C ATOM 1418 C ASP B 45 -4.398 -7.000 -0.287 1.00 0.00 C ATOM 1419 O ASP B 45 -5.273 -6.870 -1.137 1.00 0.00 O ATOM 1420 CB ASP B 45 -4.122 -9.399 0.394 1.00 0.00 C ATOM 1421 CG ASP B 45 -5.414 -9.836 -0.276 1.00 0.00 C ATOM 1422 OD1 ASP B 45 -5.361 -10.251 -1.449 1.00 0.00 O ATOM 1423 OD2 ASP B 45 -6.482 -9.781 0.373 1.00 0.00 O ATOM 0 H ASP B 45 -2.061 -8.322 1.263 1.00 0.00 H new ATOM 0 HA ASP B 45 -3.263 -8.465 -1.336 1.00 0.00 H new ATOM 0 HB2 ASP B 45 -3.423 -10.235 0.403 1.00 0.00 H new ATOM 0 HB3 ASP B 45 -4.327 -9.144 1.434 1.00 0.00 H new ATOM 1428 N PHE B 46 -4.159 -6.096 0.644 1.00 0.00 N ATOM 1429 CA PHE B 46 -4.886 -4.836 0.701 1.00 0.00 C ATOM 1430 C PHE B 46 -4.390 -3.894 -0.375 1.00 0.00 C ATOM 1431 O PHE B 46 -5.179 -3.239 -1.055 1.00 0.00 O ATOM 1432 CB PHE B 46 -4.630 -4.213 2.070 1.00 0.00 C ATOM 1433 CG PHE B 46 -5.411 -2.972 2.365 1.00 0.00 C ATOM 1434 CD1 PHE B 46 -6.671 -3.054 2.929 1.00 0.00 C ATOM 1435 CD2 PHE B 46 -4.874 -1.724 2.102 1.00 0.00 C ATOM 1436 CE1 PHE B 46 -7.382 -1.912 3.225 1.00 0.00 C ATOM 1437 CE2 PHE B 46 -5.583 -0.579 2.392 1.00 0.00 C ATOM 1438 CZ PHE B 46 -6.837 -0.674 2.955 1.00 0.00 C ATOM 0 H PHE B 46 -3.461 -6.210 1.379 1.00 0.00 H new ATOM 0 HA PHE B 46 -5.950 -5.013 0.543 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -4.856 -4.955 2.836 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -3.568 -3.982 2.153 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -7.101 -4.022 3.139 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -3.889 -1.647 1.665 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -8.364 -1.986 3.668 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -5.157 0.390 2.179 1.00 0.00 H new ATOM 0 HZ PHE B 46 -7.394 0.222 3.185 1.00 0.00 H new ATOM 1448 N ILE B 47 -3.091 -3.851 -0.567 1.00 0.00 N ATOM 1449 CA ILE B 47 -2.541 -2.932 -1.532 1.00 0.00 C ATOM 1450 C ILE B 47 -2.682 -3.493 -2.945 1.00 0.00 C ATOM 1451 O ILE B 47 -2.759 -2.746 -3.917 1.00 0.00 O ATOM 1452 CB ILE B 47 -1.078 -2.573 -1.211 1.00 0.00 C ATOM 1453 CG1 ILE B 47 -0.209 -3.832 -1.169 1.00 0.00 C ATOM 1454 CG2 ILE B 47 -1.026 -1.844 0.121 1.00 0.00 C ATOM 1455 CD1 ILE B 47 1.230 -3.581 -0.767 1.00 0.00 C ATOM 0 H ILE B 47 -2.409 -4.430 -0.078 1.00 0.00 H new ATOM 0 HA ILE B 47 -3.112 -2.006 -1.475 1.00 0.00 H new ATOM 0 HB ILE B 47 -0.686 -1.924 -1.995 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -0.651 -4.542 -0.470 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -0.223 -4.302 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE B 47 0.007 -1.587 0.355 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -1.622 -0.933 0.061 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -1.426 -2.488 0.904 1.00 0.00 H new ATOM 0 HD11 ILE B 47 1.776 -4.524 -0.762 1.00 0.00 H new ATOM 0 HD12 ILE B 47 1.693 -2.897 -1.479 1.00 0.00 H new ATOM 0 HD13 ILE B 47 1.258 -3.141 0.230 1.00 0.00 H new ATOM 1467 N GLN B 48 -2.738 -4.816 -3.046 1.00 0.00 N ATOM 1468 CA GLN B 48 -3.168 -5.474 -4.265 1.00 0.00 C ATOM 1469 C GLN B 48 -4.569 -5.010 -4.624 1.00 0.00 C ATOM 1470 O GLN B 48 -4.777 -4.342 -5.615 1.00 0.00 O ATOM 1471 CB GLN B 48 -3.179 -6.994 -4.076 1.00 0.00 C ATOM 1472 CG GLN B 48 -1.799 -7.618 -3.964 1.00 0.00 C ATOM 1473 CD GLN B 48 -0.930 -7.338 -5.174 1.00 0.00 C ATOM 1474 OE1 GLN B 48 -1.423 -7.192 -6.293 1.00 0.00 O ATOM 1475 NE2 GLN B 48 0.369 -7.256 -4.954 1.00 0.00 N ATOM 0 H GLN B 48 -2.488 -5.454 -2.290 1.00 0.00 H new ATOM 0 HA GLN B 48 -2.472 -5.218 -5.064 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -3.747 -7.233 -3.177 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -3.704 -7.449 -4.916 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -1.304 -7.237 -3.071 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -1.901 -8.696 -3.837 1.00 0.00 H new ATOM 0 HE21 GLN B 48 0.736 -7.384 -4.011 1.00 0.00 H new ATOM 0 HE22 GLN B 48 1.006 -7.065 -5.727 1.00 0.00 H new ATOM 1484 N LYS B 49 -5.479 -5.252 -3.710 1.00 0.00 N ATOM 1485 CA LYS B 49 -6.915 -5.192 -3.957 1.00 0.00 C ATOM 1486 C LYS B 49 -7.439 -3.753 -3.983 1.00 0.00 C ATOM 1487 O LYS B 49 -8.624 -3.518 -4.218 1.00 0.00 O ATOM 1488 CB LYS B 49 -7.560 -5.994 -2.831 1.00 0.00 C ATOM 1489 CG LYS B 49 -9.040 -6.296 -2.969 1.00 0.00 C ATOM 1490 CD LYS B 49 -9.564 -6.954 -1.696 1.00 0.00 C ATOM 1491 CE LYS B 49 -8.658 -8.093 -1.235 1.00 0.00 C ATOM 1492 NZ LYS B 49 -8.932 -8.503 0.167 1.00 0.00 N ATOM 0 H LYS B 49 -5.244 -5.502 -2.750 1.00 0.00 H new ATOM 0 HA LYS B 49 -7.157 -5.602 -4.937 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -7.027 -6.940 -2.739 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -7.409 -5.451 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -9.590 -5.375 -3.164 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -9.206 -6.954 -3.822 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -9.641 -6.207 -0.906 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.569 -7.337 -1.872 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.793 -8.950 -1.894 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -7.617 -7.784 -1.323 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -8.116 -9.029 0.541 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.096 -7.658 0.750 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.776 -9.110 0.193 1.00 0.00 H new ATOM 1506 N HIS B 50 -6.586 -2.774 -3.696 1.00 0.00 N ATOM 1507 CA HIS B 50 -7.017 -1.399 -3.941 1.00 0.00 C ATOM 1508 C HIS B 50 -6.179 -0.646 -4.984 1.00 0.00 C ATOM 1509 O HIS B 50 -6.475 0.510 -5.280 1.00 0.00 O ATOM 1510 CB HIS B 50 -7.073 -0.636 -2.609 1.00 0.00 C ATOM 1511 CG HIS B 50 -7.997 -1.299 -1.629 1.00 0.00 C ATOM 1512 ND1 HIS B 50 -9.360 -1.260 -1.755 1.00 0.00 N ATOM 1513 CD2 HIS B 50 -7.748 -2.100 -0.567 1.00 0.00 C ATOM 1514 CE1 HIS B 50 -9.913 -2.012 -0.824 1.00 0.00 C ATOM 1515 NE2 HIS B 50 -8.957 -2.539 -0.086 1.00 0.00 N ATOM 0 H HIS B 50 -5.647 -2.891 -3.316 1.00 0.00 H new ATOM 0 HA HIS B 50 -8.013 -1.457 -4.381 1.00 0.00 H new ATOM 0 HB2 HIS B 50 -6.072 -0.575 -2.182 1.00 0.00 H new ATOM 0 HB3 HIS B 50 -7.406 0.386 -2.789 1.00 0.00 H new ATOM 0 HD2 HIS B 50 -6.775 -2.349 -0.170 1.00 0.00 H new ATOM 0 HE1 HIS B 50 -10.973 -2.170 -0.689 1.00 0.00 H new ATOM 0 HE2 HIS B 50 -9.092 -3.166 0.707 1.00 0.00 H new ATOM 1524 N LEU B 51 -5.149 -1.278 -5.546 1.00 0.00 N ATOM 1525 CA LEU B 51 -4.436 -0.683 -6.694 1.00 0.00 C ATOM 1526 C LEU B 51 -4.501 -1.587 -7.918 1.00 0.00 C ATOM 1527 O LEU B 51 -4.790 -1.142 -9.028 1.00 0.00 O ATOM 1528 CB LEU B 51 -2.949 -0.424 -6.398 1.00 0.00 C ATOM 1529 CG LEU B 51 -2.616 0.728 -5.442 1.00 0.00 C ATOM 1530 CD1 LEU B 51 -3.271 2.029 -5.892 1.00 0.00 C ATOM 1531 CD2 LEU B 51 -3.019 0.385 -4.026 1.00 0.00 C ATOM 0 H LEU B 51 -4.790 -2.182 -5.239 1.00 0.00 H new ATOM 0 HA LEU B 51 -4.941 0.264 -6.884 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -2.522 -1.339 -5.987 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -2.444 -0.234 -7.345 1.00 0.00 H new ATOM 0 HG LEU B 51 -1.536 0.875 -5.463 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -3.015 2.826 -5.193 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -2.913 2.291 -6.888 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -4.353 1.902 -5.917 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -2.773 1.217 -3.366 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -4.092 0.197 -3.988 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -2.483 -0.507 -3.701 1.00 0.00 H new ATOM 1543 N ASN B 52 -4.217 -2.854 -7.697 1.00 0.00 N ATOM 1544 CA ASN B 52 -3.962 -3.803 -8.771 1.00 0.00 C ATOM 1545 C ASN B 52 -5.073 -4.844 -8.901 1.00 0.00 C ATOM 1546 O ASN B 52 -5.335 -5.351 -9.993 1.00 0.00 O ATOM 1547 CB ASN B 52 -2.621 -4.489 -8.502 1.00 0.00 C ATOM 1548 CG ASN B 52 -1.480 -3.901 -9.316 1.00 0.00 C ATOM 1549 OD1 ASN B 52 -1.584 -2.628 -9.673 1.00 0.00 O flip ATOM 1550 ND2 ASN B 52 -0.510 -4.593 -9.627 1.00 0.00 N flip ATOM 0 H ASN B 52 -4.155 -3.261 -6.764 1.00 0.00 H new ATOM 0 HA ASN B 52 -3.933 -3.259 -9.715 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -2.383 -4.407 -7.441 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -2.711 -5.552 -8.727 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -0.465 -5.569 -9.334 1.00 0.00 H new ATOM 0 HD22 ASN B 52 0.248 -4.190 -10.177 1.00 0.00 H new ATOM 1557 N LYS B 53 -5.713 -5.164 -7.793 1.00 0.00 N ATOM 1558 CA LYS B 53 -6.779 -6.145 -7.770 1.00 0.00 C ATOM 1559 C LYS B 53 -8.123 -5.475 -7.509 1.00 0.00 C ATOM 1560 O LYS B 53 -8.666 -5.649 -6.402 1.00 0.00 O ATOM 1561 CB LYS B 53 -6.498 -7.177 -6.680 1.00 0.00 C ATOM 1562 CG LYS B 53 -5.882 -8.464 -7.188 1.00 0.00 C ATOM 1563 CD LYS B 53 -6.176 -9.613 -6.238 1.00 0.00 C ATOM 1564 CE LYS B 53 -5.570 -9.393 -4.865 1.00 0.00 C ATOM 1565 NZ LYS B 53 -5.897 -10.514 -3.948 1.00 0.00 N ATOM 1566 OXT LYS B 53 -8.621 -4.769 -8.409 1.00 0.00 O ATOM 0 H LYS B 53 -5.508 -4.751 -6.883 1.00 0.00 H new ATOM 0 HA LYS B 53 -6.821 -6.638 -8.741 1.00 0.00 H new ATOM 0 HB2 LYS B 53 -5.831 -6.735 -5.940 1.00 0.00 H new ATOM 0 HB3 LYS B 53 -7.431 -7.411 -6.168 1.00 0.00 H new ATOM 0 HG2 LYS B 53 -6.275 -8.695 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS B 53 -4.804 -8.340 -7.294 1.00 0.00 H new ATOM 0 HD2 LYS B 53 -7.255 -9.735 -6.141 1.00 0.00 H new ATOM 0 HD3 LYS B 53 -5.787 -10.540 -6.660 1.00 0.00 H new ATOM 0 HE2 LYS B 53 -4.488 -9.296 -4.953 1.00 0.00 H new ATOM 0 HE3 LYS B 53 -5.941 -8.457 -4.447 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 -5.811 -10.193 -2.963 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 -6.871 -10.834 -4.124 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 -5.239 -11.302 -4.114 1.00 0.00 H new TER 1580 LYS B 53 HETATM 1581 N FME C 1 -10.869 4.549 12.797 1.00 0.00 N HETATM 1582 CN FME C 1 -11.004 3.257 12.541 1.00 0.00 C HETATM 1583 O1 FME C 1 -11.992 2.621 12.892 1.00 0.00 O HETATM 1584 CA FME C 1 -9.700 5.286 12.342 1.00 0.00 C HETATM 1585 CB FME C 1 -10.112 6.630 11.736 1.00 0.00 C HETATM 1586 CG FME C 1 -8.932 7.505 11.338 1.00 0.00 C HETATM 1587 SD FME C 1 -9.397 8.871 10.256 1.00 0.00 S HETATM 1588 CE FME C 1 -9.841 7.975 8.767 1.00 0.00 C HETATM 1589 C FME C 1 -8.709 5.499 13.480 1.00 0.00 C HETATM 1590 O FME C 1 -8.875 6.394 14.309 1.00 0.00 O HETATM 0 HG3 FME C 1 -8.464 7.905 12.238 1.00 0.00 H new HETATM 0 HG2 FME C 1 -8.184 6.890 10.836 1.00 0.00 H new HETATM 0 HE3 FME C 1 -9.432 8.489 7.897 1.00 0.00 H new HETATM 0 HE2 FME C 1 -9.435 6.965 8.816 1.00 0.00 H new HETATM 0 HE1 FME C 1 -10.927 7.926 8.682 1.00 0.00 H new HETATM 0 HCN FME C 1 -10.210 2.741 12.000 1.00 0.00 H new HETATM 0 HB3 FME C 1 -10.732 6.449 10.858 1.00 0.00 H new HETATM 0 HB2 FME C 1 -10.728 7.170 12.455 1.00 0.00 H new HETATM 0 HA FME C 1 -9.209 4.692 11.571 1.00 0.00 H new HETATM 0 H FME C 1 -11.596 5.035 13.322 1.00 0.00 H new ATOM 1601 N VAL C 2 -7.679 4.666 13.507 1.00 0.00 N ATOM 1602 CA VAL C 2 -6.613 4.784 14.495 1.00 0.00 C ATOM 1603 C VAL C 2 -5.358 5.335 13.836 1.00 0.00 C ATOM 1604 O VAL C 2 -4.266 5.320 14.405 1.00 0.00 O ATOM 1605 CB VAL C 2 -6.302 3.423 15.146 1.00 0.00 C ATOM 1606 CG1 VAL C 2 -7.533 2.898 15.857 1.00 0.00 C ATOM 1607 CG2 VAL C 2 -5.815 2.420 14.109 1.00 0.00 C ATOM 0 H VAL C 2 -7.557 3.895 12.851 1.00 0.00 H new ATOM 0 HA VAL C 2 -6.949 5.467 15.275 1.00 0.00 H new ATOM 0 HB VAL C 2 -5.504 3.563 15.875 1.00 0.00 H new ATOM 0 HG11 VAL C 2 -7.306 1.935 16.315 1.00 0.00 H new ATOM 0 HG12 VAL C 2 -7.836 3.605 16.629 1.00 0.00 H new ATOM 0 HG13 VAL C 2 -8.344 2.776 15.139 1.00 0.00 H new ATOM 0 HG21 VAL C 2 -5.603 1.468 14.595 1.00 0.00 H new ATOM 0 HG22 VAL C 2 -6.586 2.277 13.352 1.00 0.00 H new ATOM 0 HG23 VAL C 2 -4.908 2.796 13.637 1.00 0.00 H new ATOM 1617 N ILE C 3 -5.545 5.827 12.625 1.00 0.00 N ATOM 1618 CA ILE C 3 -4.464 6.380 11.831 1.00 0.00 C ATOM 1619 C ILE C 3 -5.022 7.417 10.862 1.00 0.00 C ATOM 1620 O ILE C 3 -6.059 7.190 10.232 1.00 0.00 O ATOM 1621 CB ILE C 3 -3.707 5.271 11.054 1.00 0.00 C ATOM 1622 CG1 ILE C 3 -2.496 5.853 10.320 1.00 0.00 C ATOM 1623 CG2 ILE C 3 -4.636 4.554 10.074 1.00 0.00 C ATOM 1624 CD1 ILE C 3 -1.642 4.805 9.640 1.00 0.00 C ATOM 0 H ILE C 3 -6.454 5.854 12.163 1.00 0.00 H new ATOM 0 HA ILE C 3 -3.751 6.856 12.505 1.00 0.00 H new ATOM 0 HB ILE C 3 -3.351 4.539 11.779 1.00 0.00 H new ATOM 0 HG12 ILE C 3 -2.842 6.568 9.574 1.00 0.00 H new ATOM 0 HG13 ILE C 3 -1.882 6.406 11.031 1.00 0.00 H new ATOM 0 HG21 ILE C 3 -4.079 3.782 9.543 1.00 0.00 H new ATOM 0 HG22 ILE C 3 -5.459 4.096 10.622 1.00 0.00 H new ATOM 0 HG23 ILE C 3 -5.033 5.273 9.357 1.00 0.00 H new ATOM 0 HD11 ILE C 3 -0.803 5.288 9.140 1.00 0.00 H new ATOM 0 HD12 ILE C 3 -1.266 4.103 10.384 1.00 0.00 H new ATOM 0 HD13 ILE C 3 -2.242 4.268 8.905 1.00 0.00 H new ATOM 1636 N ALA C 4 -4.366 8.561 10.764 1.00 0.00 N ATOM 1637 CA ALA C 4 -4.831 9.613 9.877 1.00 0.00 C ATOM 1638 C ALA C 4 -3.768 9.978 8.853 1.00 0.00 C ATOM 1639 O ALA C 4 -2.588 9.670 9.031 1.00 0.00 O ATOM 1640 CB ALA C 4 -5.252 10.839 10.672 1.00 0.00 C ATOM 0 H ALA C 4 -3.517 8.784 11.283 1.00 0.00 H new ATOM 0 HA ALA C 4 -5.700 9.236 9.338 1.00 0.00 H new ATOM 0 HB1 ALA C 4 -5.597 11.615 9.989 1.00 0.00 H new ATOM 0 HB2 ALA C 4 -6.059 10.571 11.354 1.00 0.00 H new ATOM 0 HB3 ALA C 4 -4.402 11.211 11.244 1.00 0.00 H new ATOM 1646 N THR C 5 -4.196 10.637 7.786 1.00 0.00 N ATOM 1647 CA THR C 5 -3.304 11.054 6.713 1.00 0.00 C ATOM 1648 C THR C 5 -2.170 11.939 7.234 1.00 0.00 C ATOM 1649 O THR C 5 -1.056 11.900 6.721 1.00 0.00 O ATOM 1650 CB THR C 5 -4.097 11.821 5.634 1.00 0.00 C ATOM 1651 OG1 THR C 5 -5.176 11.006 5.160 1.00 0.00 O ATOM 1652 CG2 THR C 5 -3.209 12.229 4.466 1.00 0.00 C ATOM 0 H THR C 5 -5.171 10.898 7.639 1.00 0.00 H new ATOM 0 HA THR C 5 -2.865 10.154 6.282 1.00 0.00 H new ATOM 0 HB THR C 5 -4.489 12.731 6.088 1.00 0.00 H new ATOM 0 HG1 THR C 5 -5.680 11.495 4.476 1.00 0.00 H new ATOM 0 HG21 THR C 5 -3.804 12.767 3.727 1.00 0.00 H new ATOM 0 HG22 THR C 5 -2.408 12.874 4.826 1.00 0.00 H new ATOM 0 HG23 THR C 5 -2.779 11.339 4.007 1.00 0.00 H new ATOM 1660 N ASP C 6 -2.436 12.671 8.308 1.00 0.00 N ATOM 1661 CA ASP C 6 -1.526 13.720 8.759 1.00 0.00 C ATOM 1662 C ASP C 6 -0.371 13.169 9.587 1.00 0.00 C ATOM 1663 O ASP C 6 0.494 13.926 10.031 1.00 0.00 O ATOM 1664 CB ASP C 6 -2.285 14.765 9.576 1.00 0.00 C ATOM 1665 CG ASP C 6 -3.319 15.509 8.758 1.00 0.00 C ATOM 1666 OD1 ASP C 6 -2.933 16.385 7.960 1.00 0.00 O ATOM 1667 OD2 ASP C 6 -4.525 15.228 8.919 1.00 0.00 O ATOM 0 H ASP C 6 -3.271 12.560 8.883 1.00 0.00 H new ATOM 0 HA ASP C 6 -1.105 14.180 7.865 1.00 0.00 H new ATOM 0 HB2 ASP C 6 -2.777 14.276 10.417 1.00 0.00 H new ATOM 0 HB3 ASP C 6 -1.575 15.479 9.993 1.00 0.00 H new ATOM 1672 N ASP C 7 -0.340 11.862 9.804 1.00 0.00 N ATOM 1673 CA ASP C 7 0.771 11.265 10.537 1.00 0.00 C ATOM 1674 C ASP C 7 1.757 10.599 9.587 1.00 0.00 C ATOM 1675 O ASP C 7 2.932 10.420 9.923 1.00 0.00 O ATOM 1676 CB ASP C 7 0.255 10.221 11.536 1.00 0.00 C ATOM 1677 CG ASP C 7 -0.759 10.775 12.514 1.00 0.00 C ATOM 1678 OD1 ASP C 7 -0.358 11.468 13.472 1.00 0.00 O ATOM 1679 OD2 ASP C 7 -1.969 10.498 12.344 1.00 0.00 O ATOM 0 H ASP C 7 -1.055 11.205 9.491 1.00 0.00 H new ATOM 0 HA ASP C 7 1.280 12.066 11.074 1.00 0.00 H new ATOM 0 HB2 ASP C 7 -0.195 9.394 10.986 1.00 0.00 H new ATOM 0 HB3 ASP C 7 1.099 9.812 12.092 1.00 0.00 H new ATOM 1684 N LEU C 8 1.292 10.244 8.398 1.00 0.00 N ATOM 1685 CA LEU C 8 2.151 9.585 7.421 1.00 0.00 C ATOM 1686 C LEU C 8 2.400 10.469 6.212 1.00 0.00 C ATOM 1687 O LEU C 8 3.353 10.253 5.461 1.00 0.00 O ATOM 1688 CB LEU C 8 1.564 8.244 6.983 1.00 0.00 C ATOM 1689 CG LEU C 8 1.758 7.099 7.979 1.00 0.00 C ATOM 1690 CD1 LEU C 8 0.888 7.285 9.212 1.00 0.00 C ATOM 1691 CD2 LEU C 8 1.467 5.766 7.315 1.00 0.00 C ATOM 0 H LEU C 8 0.333 10.399 8.087 1.00 0.00 H new ATOM 0 HA LEU C 8 3.108 9.400 7.909 1.00 0.00 H new ATOM 0 HB2 LEU C 8 0.497 8.373 6.803 1.00 0.00 H new ATOM 0 HB3 LEU C 8 2.015 7.960 6.032 1.00 0.00 H new ATOM 0 HG LEU C 8 2.799 7.108 8.303 1.00 0.00 H new ATOM 0 HD11 LEU C 8 1.049 6.455 9.900 1.00 0.00 H new ATOM 0 HD12 LEU C 8 1.151 8.221 9.705 1.00 0.00 H new ATOM 0 HD13 LEU C 8 -0.161 7.313 8.916 1.00 0.00 H new ATOM 0 HD21 LEU C 8 1.609 4.961 8.036 1.00 0.00 H new ATOM 0 HD22 LEU C 8 0.437 5.755 6.957 1.00 0.00 H new ATOM 0 HD23 LEU C 8 2.145 5.623 6.473 1.00 0.00 H new ATOM 1703 N GLU C 9 1.549 11.463 6.032 1.00 0.00 N ATOM 1704 CA GLU C 9 1.713 12.422 4.959 1.00 0.00 C ATOM 1705 C GLU C 9 1.599 13.831 5.508 1.00 0.00 C ATOM 1706 O GLU C 9 0.680 14.153 6.264 1.00 0.00 O ATOM 1707 CB GLU C 9 0.692 12.201 3.839 1.00 0.00 C ATOM 1708 CG GLU C 9 0.858 10.868 3.130 1.00 0.00 C ATOM 1709 CD GLU C 9 -0.052 10.716 1.930 1.00 0.00 C ATOM 1710 OE1 GLU C 9 -1.290 10.741 2.098 1.00 0.00 O ATOM 1711 OE2 GLU C 9 0.474 10.557 0.811 1.00 0.00 O ATOM 0 H GLU C 9 0.732 11.626 6.621 1.00 0.00 H new ATOM 0 HA GLU C 9 2.704 12.280 4.528 1.00 0.00 H new ATOM 0 HB2 GLU C 9 -0.313 12.260 4.256 1.00 0.00 H new ATOM 0 HB3 GLU C 9 0.783 13.006 3.110 1.00 0.00 H new ATOM 0 HG2 GLU C 9 1.894 10.761 2.809 1.00 0.00 H new ATOM 0 HG3 GLU C 9 0.658 10.061 3.835 1.00 0.00 H new ATOM 1718 N VAL C 10 2.537 14.664 5.123 1.00 0.00 N ATOM 1719 CA VAL C 10 2.593 16.030 5.592 1.00 0.00 C ATOM 1720 C VAL C 10 2.658 16.957 4.394 1.00 0.00 C ATOM 1721 O VAL C 10 3.308 16.647 3.391 1.00 0.00 O ATOM 1722 CB VAL C 10 3.809 16.258 6.527 1.00 0.00 C ATOM 1723 CG1 VAL C 10 5.115 15.918 5.825 1.00 0.00 C ATOM 1724 CG2 VAL C 10 3.840 17.689 7.050 1.00 0.00 C ATOM 0 H VAL C 10 3.284 14.414 4.475 1.00 0.00 H new ATOM 0 HA VAL C 10 1.696 16.242 6.174 1.00 0.00 H new ATOM 0 HB VAL C 10 3.697 15.587 7.379 1.00 0.00 H new ATOM 0 HG11 VAL C 10 5.949 16.088 6.506 1.00 0.00 H new ATOM 0 HG12 VAL C 10 5.103 14.871 5.520 1.00 0.00 H new ATOM 0 HG13 VAL C 10 5.230 16.551 4.945 1.00 0.00 H new ATOM 0 HG21 VAL C 10 4.703 17.819 7.703 1.00 0.00 H new ATOM 0 HG22 VAL C 10 3.912 18.381 6.211 1.00 0.00 H new ATOM 0 HG23 VAL C 10 2.927 17.891 7.611 1.00 0.00 H new ATOM 1734 N ALA C 11 1.955 18.068 4.476 1.00 0.00 N ATOM 1735 CA ALA C 11 1.917 19.021 3.389 1.00 0.00 C ATOM 1736 C ALA C 11 3.291 19.636 3.168 1.00 0.00 C ATOM 1737 O ALA C 11 3.999 19.960 4.123 1.00 0.00 O ATOM 1738 CB ALA C 11 0.878 20.085 3.702 1.00 0.00 C ATOM 0 H ALA C 11 1.400 18.333 5.290 1.00 0.00 H new ATOM 0 HA ALA C 11 1.638 18.515 2.465 1.00 0.00 H new ATOM 0 HB1 ALA C 11 0.842 20.809 2.888 1.00 0.00 H new ATOM 0 HB2 ALA C 11 -0.100 19.617 3.815 1.00 0.00 H new ATOM 0 HB3 ALA C 11 1.146 20.594 4.628 1.00 0.00 H new ATOM 1744 N CYS C 12 3.662 19.764 1.895 1.00 0.00 N ATOM 1745 CA CYS C 12 4.987 20.203 1.481 1.00 0.00 C ATOM 1746 C CYS C 12 5.424 21.546 2.060 1.00 0.00 C ATOM 1747 O CYS C 12 4.618 22.300 2.597 1.00 0.00 O ATOM 1748 CB CYS C 12 5.011 20.327 -0.035 1.00 0.00 C ATOM 1749 SG CYS C 12 5.571 18.853 -0.897 1.00 0.00 S ATOM 0 H CYS C 12 3.039 19.562 1.113 1.00 0.00 H new ATOM 0 HA CYS C 12 5.679 19.451 1.860 1.00 0.00 H new ATOM 0 HB2 CYS C 12 4.008 20.576 -0.382 1.00 0.00 H new ATOM 0 HB3 CYS C 12 5.659 21.160 -0.308 1.00 0.00 H new ATOM 1754 N PRO C 13 6.726 21.862 1.915 1.00 0.00 N ATOM 1755 CA PRO C 13 7.269 23.182 2.254 1.00 0.00 C ATOM 1756 C PRO C 13 6.509 24.330 1.583 1.00 0.00 C ATOM 1757 O PRO C 13 6.377 25.418 2.145 1.00 0.00 O ATOM 1758 CB PRO C 13 8.686 23.112 1.683 1.00 0.00 C ATOM 1759 CG PRO C 13 9.065 21.679 1.760 1.00 0.00 C ATOM 1760 CD PRO C 13 7.793 20.932 1.465 1.00 0.00 C ATOM 0 HA PRO C 13 7.207 23.383 3.324 1.00 0.00 H new ATOM 0 HB2 PRO C 13 8.715 23.472 0.655 1.00 0.00 H new ATOM 0 HB3 PRO C 13 9.373 23.733 2.258 1.00 0.00 H new ATOM 0 HG2 PRO C 13 9.844 21.436 1.037 1.00 0.00 H new ATOM 0 HG3 PRO C 13 9.454 21.425 2.746 1.00 0.00 H new ATOM 0 HD2 PRO C 13 7.701 20.701 0.404 1.00 0.00 H new ATOM 0 HD3 PRO C 13 7.751 19.985 2.002 1.00 0.00 H new ATOM 1768 N LYS C 14 6.001 24.077 0.376 1.00 0.00 N ATOM 1769 CA LYS C 14 5.498 25.161 -0.459 1.00 0.00 C ATOM 1770 C LYS C 14 4.364 24.751 -1.409 1.00 0.00 C ATOM 1771 O LYS C 14 3.516 25.579 -1.735 1.00 0.00 O ATOM 1772 CB LYS C 14 6.661 25.737 -1.271 1.00 0.00 C ATOM 1773 CG LYS C 14 6.247 26.744 -2.335 1.00 0.00 C ATOM 1774 CD LYS C 14 7.438 27.161 -3.185 1.00 0.00 C ATOM 1775 CE LYS C 14 7.010 28.014 -4.368 1.00 0.00 C ATOM 1776 NZ LYS C 14 6.459 29.328 -3.946 1.00 0.00 N ATOM 0 H LYS C 14 5.929 23.147 -0.037 1.00 0.00 H new ATOM 0 HA LYS C 14 5.070 25.903 0.215 1.00 0.00 H new ATOM 0 HB2 LYS C 14 7.363 26.216 -0.588 1.00 0.00 H new ATOM 0 HB3 LYS C 14 7.194 24.917 -1.752 1.00 0.00 H new ATOM 0 HG2 LYS C 14 5.476 26.310 -2.971 1.00 0.00 H new ATOM 0 HG3 LYS C 14 5.810 27.622 -1.859 1.00 0.00 H new ATOM 0 HD2 LYS C 14 8.146 27.718 -2.572 1.00 0.00 H new ATOM 0 HD3 LYS C 14 7.957 26.273 -3.545 1.00 0.00 H new ATOM 0 HE2 LYS C 14 7.865 28.175 -5.025 1.00 0.00 H new ATOM 0 HE3 LYS C 14 6.259 27.477 -4.948 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 6.212 29.887 -4.787 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 5.607 29.178 -3.368 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 7.171 29.840 -3.387 1.00 0.00 H new ATOM 1790 N CYS C 15 4.324 23.501 -1.872 1.00 0.00 N ATOM 1791 CA CYS C 15 3.403 23.179 -2.966 1.00 0.00 C ATOM 1792 C CYS C 15 2.311 22.184 -2.599 1.00 0.00 C ATOM 1793 O CYS C 15 1.936 21.339 -3.418 1.00 0.00 O ATOM 1794 CB CYS C 15 4.209 22.565 -4.104 1.00 0.00 C ATOM 1795 SG CYS C 15 5.028 21.018 -3.641 1.00 0.00 S ATOM 0 H CYS C 15 4.890 22.725 -1.527 1.00 0.00 H new ATOM 0 HA CYS C 15 2.912 24.114 -3.235 1.00 0.00 H new ATOM 0 HB2 CYS C 15 3.548 22.380 -4.951 1.00 0.00 H new ATOM 0 HB3 CYS C 15 4.960 23.281 -4.437 1.00 0.00 H new ATOM 1800 N GLU C 16 1.714 22.370 -1.447 1.00 0.00 N ATOM 1801 CA GLU C 16 0.664 21.484 -0.976 1.00 0.00 C ATOM 1802 C GLU C 16 -0.669 22.017 -1.449 1.00 0.00 C ATOM 1803 O GLU C 16 -1.699 21.851 -0.795 1.00 0.00 O ATOM 1804 CB GLU C 16 0.671 21.440 0.554 1.00 0.00 C ATOM 1805 CG GLU C 16 1.820 22.187 1.206 1.00 0.00 C ATOM 1806 CD GLU C 16 1.504 23.658 1.354 1.00 0.00 C ATOM 1807 OE1 GLU C 16 0.882 24.039 2.368 1.00 0.00 O ATOM 1808 OE2 GLU C 16 1.846 24.433 0.443 1.00 0.00 O ATOM 0 H GLU C 16 1.937 23.134 -0.809 1.00 0.00 H new ATOM 0 HA GLU C 16 0.830 20.480 -1.366 1.00 0.00 H new ATOM 0 HB2 GLU C 16 -0.268 21.855 0.920 1.00 0.00 H new ATOM 0 HB3 GLU C 16 0.705 20.398 0.874 1.00 0.00 H new ATOM 0 HG2 GLU C 16 2.027 21.757 2.186 1.00 0.00 H new ATOM 0 HG3 GLU C 16 2.723 22.065 0.607 1.00 0.00 H new ATOM 1815 N ARG C 17 -0.636 22.657 -2.607 1.00 0.00 N ATOM 1816 CA ARG C 17 -1.713 23.503 -3.062 1.00 0.00 C ATOM 1817 C ARG C 17 -1.767 23.409 -4.587 1.00 0.00 C ATOM 1818 O ARG C 17 -2.820 23.562 -5.206 1.00 0.00 O ATOM 1819 CB ARG C 17 -1.471 24.951 -2.617 1.00 0.00 C ATOM 1820 CG ARG C 17 -0.118 25.503 -3.052 1.00 0.00 C ATOM 1821 CD ARG C 17 0.185 26.845 -2.406 1.00 0.00 C ATOM 1822 NE ARG C 17 -0.785 27.872 -2.775 1.00 0.00 N ATOM 1823 CZ ARG C 17 -0.866 29.063 -2.186 1.00 0.00 C ATOM 1824 NH1 ARG C 17 -0.036 29.375 -1.199 1.00 0.00 N ATOM 1825 NH2 ARG C 17 -1.775 29.942 -2.583 1.00 0.00 N ATOM 0 H ARG C 17 0.147 22.600 -3.258 1.00 0.00 H new ATOM 0 HA ARG C 17 -2.662 23.180 -2.634 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -2.260 25.584 -3.023 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -1.545 25.006 -1.531 1.00 0.00 H new ATOM 0 HG2 ARG C 17 0.665 24.791 -2.792 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -0.102 25.611 -4.137 1.00 0.00 H new ATOM 0 HD2 ARG C 17 0.193 26.730 -1.322 1.00 0.00 H new ATOM 0 HD3 ARG C 17 1.183 27.170 -2.700 1.00 0.00 H new ATOM 0 HE ARG C 17 -1.440 27.664 -3.529 1.00 0.00 H new ATOM 0 HH11 ARG C 17 0.665 28.702 -0.891 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -0.099 30.288 -0.749 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -2.415 29.707 -3.342 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -1.835 30.854 -2.130 1.00 0.00 H new ATOM 1839 N ALA C 18 -0.594 23.144 -5.182 1.00 0.00 N ATOM 1840 CA ALA C 18 -0.459 23.156 -6.637 1.00 0.00 C ATOM 1841 C ALA C 18 0.304 21.947 -7.162 1.00 0.00 C ATOM 1842 O ALA C 18 0.075 21.501 -8.284 1.00 0.00 O ATOM 1843 CB ALA C 18 0.213 24.442 -7.094 1.00 0.00 C ATOM 0 H ALA C 18 0.265 22.921 -4.679 1.00 0.00 H new ATOM 0 HA ALA C 18 -1.466 23.105 -7.052 1.00 0.00 H new ATOM 0 HB1 ALA C 18 0.307 24.437 -8.180 1.00 0.00 H new ATOM 0 HB2 ALA C 18 -0.389 25.297 -6.786 1.00 0.00 H new ATOM 0 HB3 ALA C 18 1.203 24.515 -6.644 1.00 0.00 H new ATOM 1849 N GLY C 19 1.208 21.412 -6.347 1.00 0.00 N ATOM 1850 CA GLY C 19 1.967 20.246 -6.757 1.00 0.00 C ATOM 1851 C GLY C 19 3.188 20.592 -7.590 1.00 0.00 C ATOM 1852 O GLY C 19 3.721 19.742 -8.297 1.00 0.00 O ATOM 0 H GLY C 19 1.427 21.763 -5.415 1.00 0.00 H new ATOM 0 HA2 GLY C 19 2.283 19.696 -5.871 1.00 0.00 H new ATOM 0 HA3 GLY C 19 1.320 19.582 -7.330 1.00 0.00 H new ATOM 1856 N GLU C 20 3.676 21.816 -7.454 1.00 0.00 N ATOM 1857 CA GLU C 20 4.785 22.287 -8.274 1.00 0.00 C ATOM 1858 C GLU C 20 5.661 23.252 -7.495 1.00 0.00 C ATOM 1859 O GLU C 20 5.243 23.814 -6.485 1.00 0.00 O ATOM 1860 CB GLU C 20 4.283 22.972 -9.552 1.00 0.00 C ATOM 1861 CG GLU C 20 3.204 24.013 -9.305 1.00 0.00 C ATOM 1862 CD GLU C 20 2.995 24.934 -10.490 1.00 0.00 C ATOM 1863 OE1 GLU C 20 2.530 24.460 -11.547 1.00 0.00 O ATOM 1864 OE2 GLU C 20 3.295 26.142 -10.366 1.00 0.00 O ATOM 0 H GLU C 20 3.323 22.501 -6.785 1.00 0.00 H new ATOM 0 HA GLU C 20 5.374 21.413 -8.554 1.00 0.00 H new ATOM 0 HB2 GLU C 20 5.126 23.448 -10.054 1.00 0.00 H new ATOM 0 HB3 GLU C 20 3.894 22.213 -10.231 1.00 0.00 H new ATOM 0 HG2 GLU C 20 2.266 23.509 -9.072 1.00 0.00 H new ATOM 0 HG3 GLU C 20 3.472 24.607 -8.431 1.00 0.00 H new ATOM 1871 N ILE C 21 6.879 23.422 -7.966 1.00 0.00 N ATOM 1872 CA ILE C 21 7.789 24.412 -7.431 1.00 0.00 C ATOM 1873 C ILE C 21 8.227 25.292 -8.582 1.00 0.00 C ATOM 1874 O ILE C 21 9.048 24.882 -9.397 1.00 0.00 O ATOM 1875 CB ILE C 21 9.038 23.783 -6.759 1.00 0.00 C ATOM 1876 CG1 ILE C 21 8.641 22.875 -5.589 1.00 0.00 C ATOM 1877 CG2 ILE C 21 9.996 24.872 -6.282 1.00 0.00 C ATOM 1878 CD1 ILE C 21 7.956 23.594 -4.443 1.00 0.00 C ATOM 0 H ILE C 21 7.267 22.875 -8.734 1.00 0.00 H new ATOM 0 HA ILE C 21 7.271 24.977 -6.656 1.00 0.00 H new ATOM 0 HB ILE C 21 9.545 23.171 -7.505 1.00 0.00 H new ATOM 0 HG12 ILE C 21 7.978 22.094 -5.960 1.00 0.00 H new ATOM 0 HG13 ILE C 21 9.535 22.380 -5.209 1.00 0.00 H new ATOM 0 HG21 ILE C 21 10.866 24.412 -5.813 1.00 0.00 H new ATOM 0 HG22 ILE C 21 10.317 25.472 -7.133 1.00 0.00 H new ATOM 0 HG23 ILE C 21 9.490 25.511 -5.558 1.00 0.00 H new ATOM 0 HD11 ILE C 21 7.710 22.878 -3.659 1.00 0.00 H new ATOM 0 HD12 ILE C 21 8.623 24.357 -4.041 1.00 0.00 H new ATOM 0 HD13 ILE C 21 7.042 24.065 -4.804 1.00 0.00 H new ATOM 1890 N GLU C 22 7.638 26.475 -8.666 1.00 0.00 N ATOM 1891 CA GLU C 22 7.932 27.411 -9.743 1.00 0.00 C ATOM 1892 C GLU C 22 7.535 26.842 -11.099 1.00 0.00 C ATOM 1893 O GLU C 22 8.341 26.831 -12.027 1.00 0.00 O ATOM 1894 CB GLU C 22 9.422 27.718 -9.756 1.00 0.00 C ATOM 1895 CG GLU C 22 9.756 29.081 -10.324 1.00 0.00 C ATOM 1896 CD GLU C 22 8.944 30.184 -9.681 1.00 0.00 C ATOM 1897 OE1 GLU C 22 7.837 30.487 -10.180 1.00 0.00 O ATOM 1898 OE2 GLU C 22 9.405 30.754 -8.672 1.00 0.00 O ATOM 0 H GLU C 22 6.948 26.813 -7.995 1.00 0.00 H new ATOM 0 HA GLU C 22 7.356 28.319 -9.565 1.00 0.00 H new ATOM 0 HB2 GLU C 22 9.806 27.654 -8.738 1.00 0.00 H new ATOM 0 HB3 GLU C 22 9.936 26.955 -10.340 1.00 0.00 H new ATOM 0 HG2 GLU C 22 10.817 29.282 -10.180 1.00 0.00 H new ATOM 0 HG3 GLU C 22 9.575 29.079 -11.399 1.00 0.00 H new ATOM 1905 N GLY C 23 6.307 26.360 -11.222 1.00 0.00 N ATOM 1906 CA GLY C 23 5.897 25.728 -12.464 1.00 0.00 C ATOM 1907 C GLY C 23 6.734 24.518 -12.812 1.00 0.00 C ATOM 1908 O GLY C 23 6.635 23.975 -13.912 1.00 0.00 O ATOM 0 H GLY C 23 5.593 26.393 -10.495 1.00 0.00 H new ATOM 0 HA2 GLY C 23 4.851 25.430 -12.386 1.00 0.00 H new ATOM 0 HA3 GLY C 23 5.962 26.454 -13.274 1.00 0.00 H new ATOM 1912 N THR C 24 7.565 24.102 -11.880 1.00 0.00 N ATOM 1913 CA THR C 24 8.502 23.032 -12.117 1.00 0.00 C ATOM 1914 C THR C 24 8.237 21.855 -11.169 1.00 0.00 C ATOM 1915 O THR C 24 7.775 22.049 -10.043 1.00 0.00 O ATOM 1916 CB THR C 24 9.920 23.620 -11.962 1.00 0.00 C ATOM 1917 OG1 THR C 24 10.540 23.730 -13.247 1.00 0.00 O ATOM 1918 CG2 THR C 24 10.814 22.823 -11.022 1.00 0.00 C ATOM 0 H THR C 24 7.608 24.497 -10.940 1.00 0.00 H new ATOM 0 HA THR C 24 8.392 22.626 -13.123 1.00 0.00 H new ATOM 0 HB THR C 24 9.799 24.604 -11.509 1.00 0.00 H new ATOM 0 HG1 THR C 24 11.440 24.105 -13.145 1.00 0.00 H new ATOM 0 HG21 THR C 24 11.794 23.296 -10.963 1.00 0.00 H new ATOM 0 HG22 THR C 24 10.365 22.795 -10.029 1.00 0.00 H new ATOM 0 HG23 THR C 24 10.924 21.806 -11.399 1.00 0.00 H new ATOM 1926 N PRO C 25 8.493 20.613 -11.635 1.00 0.00 N ATOM 1927 CA PRO C 25 8.201 19.392 -10.871 1.00 0.00 C ATOM 1928 C PRO C 25 8.873 19.402 -9.504 1.00 0.00 C ATOM 1929 O PRO C 25 10.074 19.639 -9.386 1.00 0.00 O ATOM 1930 CB PRO C 25 8.753 18.263 -11.753 1.00 0.00 C ATOM 1931 CG PRO C 25 9.703 18.937 -12.682 1.00 0.00 C ATOM 1932 CD PRO C 25 9.115 20.297 -12.930 1.00 0.00 C ATOM 0 HA PRO C 25 7.137 19.283 -10.661 1.00 0.00 H new ATOM 0 HB2 PRO C 25 9.256 17.504 -11.155 1.00 0.00 H new ATOM 0 HB3 PRO C 25 7.954 17.761 -12.299 1.00 0.00 H new ATOM 0 HG2 PRO C 25 10.697 19.012 -12.242 1.00 0.00 H new ATOM 0 HG3 PRO C 25 9.808 18.378 -13.612 1.00 0.00 H new ATOM 0 HD2 PRO C 25 9.878 21.026 -13.203 1.00 0.00 H new ATOM 0 HD3 PRO C 25 8.384 20.282 -13.739 1.00 0.00 H new ATOM 1940 N CYS C 26 8.084 19.158 -8.471 1.00 0.00 N ATOM 1941 CA CYS C 26 8.545 19.305 -7.108 1.00 0.00 C ATOM 1942 C CYS C 26 9.303 18.080 -6.588 1.00 0.00 C ATOM 1943 O CYS C 26 8.849 16.949 -6.749 1.00 0.00 O ATOM 1944 CB CYS C 26 7.358 19.597 -6.212 1.00 0.00 C ATOM 1945 SG CYS C 26 7.792 19.703 -4.456 1.00 0.00 S ATOM 0 H CYS C 26 7.114 18.855 -8.556 1.00 0.00 H new ATOM 0 HA CYS C 26 9.254 20.133 -7.094 1.00 0.00 H new ATOM 0 HB2 CYS C 26 6.900 20.536 -6.523 1.00 0.00 H new ATOM 0 HB3 CYS C 26 6.609 18.817 -6.347 1.00 0.00 H new ATOM 1950 N PRO C 27 10.439 18.342 -5.895 1.00 0.00 N ATOM 1951 CA PRO C 27 11.372 17.345 -5.344 1.00 0.00 C ATOM 1952 C PRO C 27 10.777 15.988 -4.958 1.00 0.00 C ATOM 1953 O PRO C 27 11.180 14.950 -5.481 1.00 0.00 O ATOM 1954 CB PRO C 27 11.848 18.048 -4.076 1.00 0.00 C ATOM 1955 CG PRO C 27 11.840 19.509 -4.388 1.00 0.00 C ATOM 1956 CD PRO C 27 10.942 19.701 -5.599 1.00 0.00 C ATOM 0 HA PRO C 27 12.120 17.080 -6.091 1.00 0.00 H new ATOM 0 HB2 PRO C 27 11.190 17.825 -3.236 1.00 0.00 H new ATOM 0 HB3 PRO C 27 12.847 17.714 -3.796 1.00 0.00 H new ATOM 0 HG2 PRO C 27 11.469 20.083 -3.538 1.00 0.00 H new ATOM 0 HG3 PRO C 27 12.849 19.864 -4.596 1.00 0.00 H new ATOM 0 HD2 PRO C 27 10.125 20.390 -5.384 1.00 0.00 H new ATOM 0 HD3 PRO C 27 11.494 20.114 -6.443 1.00 0.00 H new ATOM 1964 N ALA C 28 9.804 16.007 -4.054 1.00 0.00 N ATOM 1965 CA ALA C 28 9.403 14.786 -3.358 1.00 0.00 C ATOM 1966 C ALA C 28 7.902 14.535 -3.424 1.00 0.00 C ATOM 1967 O ALA C 28 7.407 13.560 -2.862 1.00 0.00 O ATOM 1968 CB ALA C 28 9.855 14.849 -1.905 1.00 0.00 C ATOM 0 H ALA C 28 9.283 16.842 -3.787 1.00 0.00 H new ATOM 0 HA ALA C 28 9.888 13.953 -3.867 1.00 0.00 H new ATOM 0 HB1 ALA C 28 9.554 13.937 -1.390 1.00 0.00 H new ATOM 0 HB2 ALA C 28 10.940 14.947 -1.865 1.00 0.00 H new ATOM 0 HB3 ALA C 28 9.395 15.709 -1.418 1.00 0.00 H new ATOM 1974 N CYS C 29 7.164 15.406 -4.097 1.00 0.00 N ATOM 1975 CA CYS C 29 5.721 15.210 -4.169 1.00 0.00 C ATOM 1976 C CYS C 29 5.215 15.140 -5.604 1.00 0.00 C ATOM 1977 O CYS C 29 4.077 14.748 -5.819 1.00 0.00 O ATOM 1978 CB CYS C 29 4.977 16.321 -3.405 1.00 0.00 C ATOM 1979 SG CYS C 29 5.159 17.996 -4.102 1.00 0.00 S ATOM 0 H CYS C 29 7.522 16.227 -4.585 1.00 0.00 H new ATOM 0 HA CYS C 29 5.514 14.249 -3.698 1.00 0.00 H new ATOM 0 HB2 CYS C 29 3.917 16.071 -3.373 1.00 0.00 H new ATOM 0 HB3 CYS C 29 5.333 16.333 -2.375 1.00 0.00 H new ATOM 1984 N SER C 30 6.059 15.516 -6.564 1.00 0.00 N ATOM 1985 CA SER C 30 5.777 15.351 -7.999 1.00 0.00 C ATOM 1986 C SER C 30 4.310 15.617 -8.398 1.00 0.00 C ATOM 1987 O SER C 30 3.762 14.914 -9.244 1.00 0.00 O ATOM 1988 CB SER C 30 6.179 13.937 -8.418 1.00 0.00 C ATOM 1989 OG SER C 30 7.502 13.648 -7.991 1.00 0.00 O ATOM 0 H SER C 30 6.964 15.946 -6.373 1.00 0.00 H new ATOM 0 HA SER C 30 6.363 16.107 -8.521 1.00 0.00 H new ATOM 0 HB2 SER C 30 5.486 13.213 -7.989 1.00 0.00 H new ATOM 0 HB3 SER C 30 6.111 13.839 -9.501 1.00 0.00 H new ATOM 0 HG SER C 30 7.743 12.739 -8.266 1.00 0.00 H new ATOM 1995 N GLY C 31 3.677 16.621 -7.796 1.00 0.00 N ATOM 1996 CA GLY C 31 2.337 16.993 -8.220 1.00 0.00 C ATOM 1997 C GLY C 31 1.242 16.303 -7.429 1.00 0.00 C ATOM 1998 O GLY C 31 0.252 15.849 -8.000 1.00 0.00 O ATOM 0 H GLY C 31 4.061 17.177 -7.032 1.00 0.00 H new ATOM 0 HA2 GLY C 31 2.220 18.072 -8.123 1.00 0.00 H new ATOM 0 HA3 GLY C 31 2.218 16.753 -9.277 1.00 0.00 H new ATOM 2002 N LYS C 32 1.416 16.223 -6.115 1.00 0.00 N ATOM 2003 CA LYS C 32 0.418 15.607 -5.244 1.00 0.00 C ATOM 2004 C LYS C 32 0.014 16.573 -4.137 1.00 0.00 C ATOM 2005 O LYS C 32 -1.140 16.600 -3.712 1.00 0.00 O ATOM 2006 CB LYS C 32 0.975 14.315 -4.653 1.00 0.00 C ATOM 2007 CG LYS C 32 1.355 13.332 -5.737 1.00 0.00 C ATOM 2008 CD LYS C 32 1.792 11.988 -5.197 1.00 0.00 C ATOM 2009 CE LYS C 32 3.118 12.055 -4.460 1.00 0.00 C ATOM 2010 NZ LYS C 32 3.713 10.702 -4.336 1.00 0.00 N ATOM 0 H LYS C 32 2.239 16.577 -5.627 1.00 0.00 H new ATOM 0 HA LYS C 32 -0.470 15.370 -5.831 1.00 0.00 H new ATOM 0 HB2 LYS C 32 1.849 14.540 -4.041 1.00 0.00 H new ATOM 0 HB3 LYS C 32 0.232 13.864 -3.995 1.00 0.00 H new ATOM 0 HG2 LYS C 32 0.504 13.189 -6.403 1.00 0.00 H new ATOM 0 HG3 LYS C 32 2.161 13.755 -6.336 1.00 0.00 H new ATOM 0 HD2 LYS C 32 1.026 11.605 -4.523 1.00 0.00 H new ATOM 0 HD3 LYS C 32 1.875 11.279 -6.021 1.00 0.00 H new ATOM 0 HE2 LYS C 32 3.804 12.713 -4.993 1.00 0.00 H new ATOM 0 HE3 LYS C 32 2.969 12.485 -3.470 1.00 0.00 H new ATOM 0 HZ1 LYS C 32 4.323 10.667 -3.495 1.00 0.00 H new ATOM 0 HZ2 LYS C 32 2.955 9.996 -4.243 1.00 0.00 H new ATOM 0 HZ3 LYS C 32 4.279 10.493 -5.183 1.00 0.00 H new ATOM 2024 N GLY C 33 0.978 17.363 -3.666 1.00 0.00 N ATOM 2025 CA GLY C 33 0.713 18.341 -2.650 1.00 0.00 C ATOM 2026 C GLY C 33 1.410 17.992 -1.357 1.00 0.00 C ATOM 2027 O GLY C 33 1.976 18.863 -0.697 1.00 0.00 O ATOM 0 H GLY C 33 1.947 17.333 -3.982 1.00 0.00 H new ATOM 0 HA2 GLY C 33 1.045 19.322 -2.991 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -0.361 18.409 -2.479 1.00 0.00 H new ATOM 2031 N VAL C 34 1.434 16.710 -1.014 1.00 0.00 N ATOM 2032 CA VAL C 34 2.000 16.289 0.265 1.00 0.00 C ATOM 2033 C VAL C 34 3.192 15.358 0.082 1.00 0.00 C ATOM 2034 O VAL C 34 3.444 14.853 -1.016 1.00 0.00 O ATOM 2035 CB VAL C 34 0.946 15.569 1.139 1.00 0.00 C ATOM 2036 CG1 VAL C 34 -0.222 16.490 1.458 1.00 0.00 C ATOM 2037 CG2 VAL C 34 0.456 14.298 0.458 1.00 0.00 C ATOM 0 H VAL C 34 1.074 15.952 -1.593 1.00 0.00 H new ATOM 0 HA VAL C 34 2.331 17.200 0.763 1.00 0.00 H new ATOM 0 HB VAL C 34 1.424 15.292 2.079 1.00 0.00 H new ATOM 0 HG11 VAL C 34 -0.947 15.958 2.073 1.00 0.00 H new ATOM 0 HG12 VAL C 34 0.141 17.364 1.999 1.00 0.00 H new ATOM 0 HG13 VAL C 34 -0.698 16.809 0.531 1.00 0.00 H new ATOM 0 HG21 VAL C 34 -0.284 13.808 1.091 1.00 0.00 H new ATOM 0 HG22 VAL C 34 0.004 14.550 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL C 34 1.297 13.624 0.296 1.00 0.00 H new ATOM 2047 N ILE C 35 3.928 15.159 1.168 1.00 0.00 N ATOM 2048 CA ILE C 35 5.043 14.224 1.195 1.00 0.00 C ATOM 2049 C ILE C 35 4.930 13.287 2.396 1.00 0.00 C ATOM 2050 O ILE C 35 4.125 13.511 3.295 1.00 0.00 O ATOM 2051 CB ILE C 35 6.404 14.954 1.246 1.00 0.00 C ATOM 2052 CG1 ILE C 35 6.431 15.954 2.408 1.00 0.00 C ATOM 2053 CG2 ILE C 35 6.686 15.653 -0.075 1.00 0.00 C ATOM 2054 CD1 ILE C 35 7.757 16.667 2.575 1.00 0.00 C ATOM 0 H ILE C 35 3.768 15.641 2.053 1.00 0.00 H new ATOM 0 HA ILE C 35 4.996 13.646 0.272 1.00 0.00 H new ATOM 0 HB ILE C 35 7.188 14.215 1.412 1.00 0.00 H new ATOM 0 HG12 ILE C 35 5.648 16.696 2.254 1.00 0.00 H new ATOM 0 HG13 ILE C 35 6.194 15.428 3.333 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.649 16.161 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE C 35 6.710 14.917 -0.878 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.901 16.383 -0.275 1.00 0.00 H new ATOM 0 HD11 ILE C 35 7.696 17.357 3.417 1.00 0.00 H new ATOM 0 HD12 ILE C 35 8.543 15.935 2.762 1.00 0.00 H new ATOM 0 HD13 ILE C 35 7.988 17.223 1.666 1.00 0.00 H new ATOM 2066 N LEU C 36 5.743 12.241 2.394 1.00 0.00 N ATOM 2067 CA LEU C 36 5.662 11.199 3.419 1.00 0.00 C ATOM 2068 C LEU C 36 6.492 11.520 4.654 1.00 0.00 C ATOM 2069 O LEU C 36 7.361 12.394 4.643 1.00 0.00 O ATOM 2070 CB LEU C 36 6.147 9.860 2.860 1.00 0.00 C ATOM 2071 CG LEU C 36 5.615 9.488 1.482 1.00 0.00 C ATOM 2072 CD1 LEU C 36 6.626 9.840 0.401 1.00 0.00 C ATOM 2073 CD2 LEU C 36 5.265 8.015 1.436 1.00 0.00 C ATOM 0 H LEU C 36 6.469 12.087 1.695 1.00 0.00 H new ATOM 0 HA LEU C 36 4.613 11.145 3.710 1.00 0.00 H new ATOM 0 HB2 LEU C 36 7.236 9.879 2.816 1.00 0.00 H new ATOM 0 HB3 LEU C 36 5.870 9.073 3.561 1.00 0.00 H new ATOM 0 HG LEU C 36 4.709 10.063 1.292 1.00 0.00 H new ATOM 0 HD11 LEU C 36 6.225 9.566 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU C 36 6.825 10.911 0.424 1.00 0.00 H new ATOM 0 HD13 LEU C 36 7.553 9.295 0.579 1.00 0.00 H new ATOM 0 HD21 LEU C 36 4.886 7.762 0.446 1.00 0.00 H new ATOM 0 HD22 LEU C 36 6.156 7.423 1.646 1.00 0.00 H new ATOM 0 HD23 LEU C 36 4.501 7.799 2.183 1.00 0.00 H new ATOM 2085 N THR C 37 6.205 10.779 5.717 1.00 0.00 N ATOM 2086 CA THR C 37 7.012 10.783 6.922 1.00 0.00 C ATOM 2087 C THR C 37 7.798 9.478 6.970 1.00 0.00 C ATOM 2088 O THR C 37 7.599 8.630 6.110 1.00 0.00 O ATOM 2089 CB THR C 37 6.135 10.896 8.187 1.00 0.00 C ATOM 2090 OG1 THR C 37 5.272 9.754 8.292 1.00 0.00 O ATOM 2091 CG2 THR C 37 5.289 12.160 8.154 1.00 0.00 C ATOM 0 H THR C 37 5.399 10.155 5.763 1.00 0.00 H new ATOM 0 HA THR C 37 7.680 11.644 6.900 1.00 0.00 H new ATOM 0 HB THR C 37 6.798 10.939 9.051 1.00 0.00 H new ATOM 0 HG1 THR C 37 4.570 9.934 8.952 1.00 0.00 H new ATOM 0 HG21 THR C 37 4.681 12.214 9.057 1.00 0.00 H new ATOM 0 HG22 THR C 37 5.940 13.032 8.102 1.00 0.00 H new ATOM 0 HG23 THR C 37 4.639 12.140 7.279 1.00 0.00 H new ATOM 2099 N ALA C 38 8.670 9.302 7.953 1.00 0.00 N ATOM 2100 CA ALA C 38 9.487 8.088 8.033 1.00 0.00 C ATOM 2101 C ALA C 38 8.631 6.824 8.043 1.00 0.00 C ATOM 2102 O ALA C 38 8.933 5.866 7.336 1.00 0.00 O ATOM 2103 CB ALA C 38 10.396 8.138 9.245 1.00 0.00 C ATOM 0 H ALA C 38 8.833 9.975 8.702 1.00 0.00 H new ATOM 0 HA ALA C 38 10.106 8.048 7.136 1.00 0.00 H new ATOM 0 HB1 ALA C 38 10.995 7.228 9.288 1.00 0.00 H new ATOM 0 HB2 ALA C 38 11.055 9.003 9.170 1.00 0.00 H new ATOM 0 HB3 ALA C 38 9.793 8.218 10.149 1.00 0.00 H new ATOM 2109 N GLN C 39 7.564 6.819 8.838 1.00 0.00 N ATOM 2110 CA GLN C 39 6.623 5.704 8.822 1.00 0.00 C ATOM 2111 C GLN C 39 6.028 5.519 7.429 1.00 0.00 C ATOM 2112 O GLN C 39 5.907 4.394 6.940 1.00 0.00 O ATOM 2113 CB GLN C 39 5.503 5.916 9.842 1.00 0.00 C ATOM 2114 CG GLN C 39 4.388 4.889 9.725 1.00 0.00 C ATOM 2115 CD GLN C 39 3.389 4.967 10.856 1.00 0.00 C ATOM 2116 OE1 GLN C 39 3.181 6.022 11.447 1.00 0.00 O ATOM 2117 NE2 GLN C 39 2.758 3.845 11.153 1.00 0.00 N ATOM 0 H GLN C 39 7.332 7.565 9.494 1.00 0.00 H new ATOM 0 HA GLN C 39 7.173 4.803 9.093 1.00 0.00 H new ATOM 0 HB2 GLN C 39 5.923 5.875 10.847 1.00 0.00 H new ATOM 0 HB3 GLN C 39 5.085 6.914 9.711 1.00 0.00 H new ATOM 0 HG2 GLN C 39 3.868 5.033 8.778 1.00 0.00 H new ATOM 0 HG3 GLN C 39 4.823 3.890 9.701 1.00 0.00 H new ATOM 0 HE21 GLN C 39 2.964 2.991 10.634 1.00 0.00 H new ATOM 0 HE22 GLN C 39 2.065 3.832 11.901 1.00 0.00 H new ATOM 2126 N GLY C 40 5.676 6.627 6.791 1.00 0.00 N ATOM 2127 CA GLY C 40 5.140 6.571 5.449 1.00 0.00 C ATOM 2128 C GLY C 40 6.175 6.099 4.449 1.00 0.00 C ATOM 2129 O GLY C 40 5.845 5.450 3.463 1.00 0.00 O ATOM 0 H GLY C 40 5.753 7.566 7.182 1.00 0.00 H new ATOM 0 HA2 GLY C 40 4.282 5.899 5.428 1.00 0.00 H new ATOM 0 HA3 GLY C 40 4.779 7.558 5.160 1.00 0.00 H new ATOM 2133 N TYR C 41 7.434 6.413 4.717 1.00 0.00 N ATOM 2134 CA TYR C 41 8.528 5.989 3.861 1.00 0.00 C ATOM 2135 C TYR C 41 8.761 4.489 3.965 1.00 0.00 C ATOM 2136 O TYR C 41 9.122 3.845 2.977 1.00 0.00 O ATOM 2137 CB TYR C 41 9.805 6.754 4.231 1.00 0.00 C ATOM 2138 CG TYR C 41 10.010 8.037 3.450 1.00 0.00 C ATOM 2139 CD1 TYR C 41 10.661 8.023 2.223 1.00 0.00 C ATOM 2140 CD2 TYR C 41 9.559 9.257 3.936 1.00 0.00 C ATOM 2141 CE1 TYR C 41 10.854 9.186 1.504 1.00 0.00 C ATOM 2142 CE2 TYR C 41 9.748 10.425 3.222 1.00 0.00 C ATOM 2143 CZ TYR C 41 10.396 10.384 2.006 1.00 0.00 C ATOM 2144 OH TYR C 41 10.586 11.546 1.289 1.00 0.00 O ATOM 0 H TYR C 41 7.723 6.963 5.526 1.00 0.00 H new ATOM 0 HA TYR C 41 8.261 6.213 2.828 1.00 0.00 H new ATOM 0 HB2 TYR C 41 9.778 6.990 5.295 1.00 0.00 H new ATOM 0 HB3 TYR C 41 10.664 6.103 4.070 1.00 0.00 H new ATOM 0 HD1 TYR C 41 11.022 7.086 1.825 1.00 0.00 H new ATOM 0 HD2 TYR C 41 9.052 9.294 4.889 1.00 0.00 H new ATOM 0 HE1 TYR C 41 11.362 9.156 0.552 1.00 0.00 H new ATOM 0 HE2 TYR C 41 9.390 11.365 3.615 1.00 0.00 H new ATOM 0 HH TYR C 41 10.203 12.301 1.782 1.00 0.00 H new ATOM 2154 N THR C 42 8.520 3.921 5.135 1.00 0.00 N ATOM 2155 CA THR C 42 8.597 2.478 5.298 1.00 0.00 C ATOM 2156 C THR C 42 7.444 1.798 4.562 1.00 0.00 C ATOM 2157 O THR C 42 7.599 0.719 3.978 1.00 0.00 O ATOM 2158 CB THR C 42 8.538 2.081 6.786 1.00 0.00 C ATOM 2159 OG1 THR C 42 9.556 2.767 7.522 1.00 0.00 O ATOM 2160 CG2 THR C 42 8.714 0.580 6.953 1.00 0.00 C ATOM 0 H THR C 42 8.271 4.433 5.981 1.00 0.00 H new ATOM 0 HA THR C 42 9.549 2.152 4.880 1.00 0.00 H new ATOM 0 HB THR C 42 7.559 2.364 7.172 1.00 0.00 H new ATOM 0 HG1 THR C 42 9.574 2.434 8.444 1.00 0.00 H new ATOM 0 HG21 THR C 42 8.669 0.324 8.012 1.00 0.00 H new ATOM 0 HG22 THR C 42 7.919 0.059 6.419 1.00 0.00 H new ATOM 0 HG23 THR C 42 9.680 0.280 6.548 1.00 0.00 H new ATOM 2168 N LEU C 43 6.301 2.470 4.535 1.00 0.00 N ATOM 2169 CA LEU C 43 5.102 1.897 3.946 1.00 0.00 C ATOM 2170 C LEU C 43 5.081 2.149 2.448 1.00 0.00 C ATOM 2171 O LEU C 43 4.370 1.465 1.722 1.00 0.00 O ATOM 2172 CB LEU C 43 3.829 2.488 4.584 1.00 0.00 C ATOM 2173 CG LEU C 43 3.139 1.639 5.672 1.00 0.00 C ATOM 2174 CD1 LEU C 43 4.150 1.106 6.674 1.00 0.00 C ATOM 2175 CD2 LEU C 43 2.091 2.471 6.389 1.00 0.00 C ATOM 0 H LEU C 43 6.180 3.410 4.913 1.00 0.00 H new ATOM 0 HA LEU C 43 5.119 0.824 4.136 1.00 0.00 H new ATOM 0 HB2 LEU C 43 4.084 3.455 5.018 1.00 0.00 H new ATOM 0 HB3 LEU C 43 3.106 2.675 3.790 1.00 0.00 H new ATOM 0 HG LEU C 43 2.659 0.789 5.187 1.00 0.00 H new ATOM 0 HD11 LEU C 43 3.635 0.512 7.429 1.00 0.00 H new ATOM 0 HD12 LEU C 43 4.880 0.483 6.158 1.00 0.00 H new ATOM 0 HD13 LEU C 43 4.660 1.941 7.155 1.00 0.00 H new ATOM 0 HD21 LEU C 43 1.608 1.865 7.156 1.00 0.00 H new ATOM 0 HD22 LEU C 43 2.567 3.334 6.855 1.00 0.00 H new ATOM 0 HD23 LEU C 43 1.344 2.812 5.672 1.00 0.00 H new ATOM 2187 N LEU C 44 5.885 3.097 1.969 1.00 0.00 N ATOM 2188 CA LEU C 44 5.887 3.416 0.552 1.00 0.00 C ATOM 2189 C LEU C 44 6.728 2.395 -0.206 1.00 0.00 C ATOM 2190 O LEU C 44 6.331 1.922 -1.260 1.00 0.00 O ATOM 2191 CB LEU C 44 6.369 4.869 0.307 1.00 0.00 C ATOM 2192 CG LEU C 44 7.878 5.108 0.076 1.00 0.00 C ATOM 2193 CD1 LEU C 44 8.304 4.708 -1.332 1.00 0.00 C ATOM 2194 CD2 LEU C 44 8.220 6.570 0.289 1.00 0.00 C ATOM 0 H LEU C 44 6.532 3.647 2.535 1.00 0.00 H new ATOM 0 HA LEU C 44 4.867 3.359 0.172 1.00 0.00 H new ATOM 0 HB2 LEU C 44 5.834 5.256 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU C 44 6.064 5.470 1.164 1.00 0.00 H new ATOM 0 HG LEU C 44 8.413 4.487 0.795 1.00 0.00 H new ATOM 0 HD11 LEU C 44 9.371 4.891 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU C 44 8.097 3.649 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU C 44 7.748 5.297 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU C 44 9.286 6.722 0.123 1.00 0.00 H new ATOM 0 HD22 LEU C 44 7.652 7.182 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU C 44 7.967 6.858 1.309 1.00 0.00 H new ATOM 2206 N ASP C 45 7.876 2.036 0.354 1.00 0.00 N ATOM 2207 CA ASP C 45 8.793 1.113 -0.312 1.00 0.00 C ATOM 2208 C ASP C 45 8.225 -0.299 -0.320 1.00 0.00 C ATOM 2209 O ASP C 45 8.551 -1.108 -1.184 1.00 0.00 O ATOM 2210 CB ASP C 45 10.153 1.138 0.386 1.00 0.00 C ATOM 2211 CG ASP C 45 11.185 0.283 -0.318 1.00 0.00 C ATOM 2212 OD1 ASP C 45 11.568 0.630 -1.452 1.00 0.00 O ATOM 2213 OD2 ASP C 45 11.625 -0.731 0.260 1.00 0.00 O ATOM 0 H ASP C 45 8.196 2.367 1.264 1.00 0.00 H new ATOM 0 HA ASP C 45 8.920 1.432 -1.346 1.00 0.00 H new ATOM 0 HB2 ASP C 45 10.512 2.166 0.437 1.00 0.00 H new ATOM 0 HB3 ASP C 45 10.037 0.790 1.412 1.00 0.00 H new ATOM 2218 N PHE C 46 7.330 -0.564 0.615 1.00 0.00 N ATOM 2219 CA PHE C 46 6.610 -1.829 0.661 1.00 0.00 C ATOM 2220 C PHE C 46 5.539 -1.861 -0.409 1.00 0.00 C ATOM 2221 O PHE C 46 5.367 -2.862 -1.103 1.00 0.00 O ATOM 2222 CB PHE C 46 5.950 -1.946 2.034 1.00 0.00 C ATOM 2223 CG PHE C 46 5.262 -3.247 2.309 1.00 0.00 C ATOM 2224 CD1 PHE C 46 5.963 -4.307 2.851 1.00 0.00 C ATOM 2225 CD2 PHE C 46 3.910 -3.402 2.050 1.00 0.00 C ATOM 2226 CE1 PHE C 46 5.331 -5.500 3.132 1.00 0.00 C ATOM 2227 CE2 PHE C 46 3.273 -4.593 2.324 1.00 0.00 C ATOM 2228 CZ PHE C 46 3.985 -5.642 2.866 1.00 0.00 C ATOM 0 H PHE C 46 7.081 0.086 1.361 1.00 0.00 H new ATOM 0 HA PHE C 46 7.301 -2.655 0.489 1.00 0.00 H new ATOM 0 HB2 PHE C 46 6.711 -1.789 2.798 1.00 0.00 H new ATOM 0 HB3 PHE C 46 5.222 -1.141 2.138 1.00 0.00 H new ATOM 0 HD1 PHE C 46 7.018 -4.200 3.057 1.00 0.00 H new ATOM 0 HD2 PHE C 46 3.349 -2.581 1.629 1.00 0.00 H new ATOM 0 HE1 PHE C 46 5.888 -6.321 3.559 1.00 0.00 H new ATOM 0 HE2 PHE C 46 2.219 -4.704 2.115 1.00 0.00 H new ATOM 0 HZ PHE C 46 3.488 -6.576 3.083 1.00 0.00 H new ATOM 2238 N ILE C 47 4.847 -0.758 -0.580 1.00 0.00 N ATOM 2239 CA ILE C 47 3.771 -0.730 -1.538 1.00 0.00 C ATOM 2240 C ILE C 47 4.320 -0.549 -2.951 1.00 0.00 C ATOM 2241 O ILE C 47 3.703 -0.970 -3.928 1.00 0.00 O ATOM 2242 CB ILE C 47 2.727 0.348 -1.192 1.00 0.00 C ATOM 2243 CG1 ILE C 47 3.378 1.733 -1.138 1.00 0.00 C ATOM 2244 CG2 ILE C 47 2.082 0.008 0.141 1.00 0.00 C ATOM 2245 CD1 ILE C 47 2.442 2.848 -0.724 1.00 0.00 C ATOM 0 H ILE C 47 5.007 0.115 -0.078 1.00 0.00 H new ATOM 0 HA ILE C 47 3.256 -1.690 -1.495 1.00 0.00 H new ATOM 0 HB ILE C 47 1.962 0.370 -1.968 1.00 0.00 H new ATOM 0 HG12 ILE C 47 4.215 1.701 -0.441 1.00 0.00 H new ATOM 0 HG13 ILE C 47 3.789 1.966 -2.120 1.00 0.00 H new ATOM 0 HG21 ILE C 47 1.342 0.768 0.391 1.00 0.00 H new ATOM 0 HG22 ILE C 47 1.595 -0.965 0.072 1.00 0.00 H new ATOM 0 HG23 ILE C 47 2.846 -0.024 0.917 1.00 0.00 H new ATOM 0 HD11 ILE C 47 2.985 3.793 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE C 47 1.617 2.912 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE C 47 2.049 2.643 0.272 1.00 0.00 H new ATOM 2257 N GLN C 48 5.497 0.059 -3.049 1.00 0.00 N ATOM 2258 CA GLN C 48 6.275 0.030 -4.273 1.00 0.00 C ATOM 2259 C GLN C 48 6.576 -1.411 -4.647 1.00 0.00 C ATOM 2260 O GLN C 48 6.107 -1.912 -5.647 1.00 0.00 O ATOM 2261 CB GLN C 48 7.597 0.782 -4.084 1.00 0.00 C ATOM 2262 CG GLN C 48 7.445 2.286 -3.936 1.00 0.00 C ATOM 2263 CD GLN C 48 6.750 2.929 -5.119 1.00 0.00 C ATOM 2264 OE1 GLN C 48 6.861 2.466 -6.255 1.00 0.00 O ATOM 2265 NE2 GLN C 48 6.024 4.000 -4.856 1.00 0.00 N ATOM 0 H GLN C 48 5.932 0.580 -2.288 1.00 0.00 H new ATOM 0 HA GLN C 48 5.699 0.511 -5.064 1.00 0.00 H new ATOM 0 HB2 GLN C 48 8.101 0.391 -3.200 1.00 0.00 H new ATOM 0 HB3 GLN C 48 8.244 0.576 -4.937 1.00 0.00 H new ATOM 0 HG2 GLN C 48 6.880 2.501 -3.029 1.00 0.00 H new ATOM 0 HG3 GLN C 48 8.430 2.735 -3.812 1.00 0.00 H new ATOM 0 HE21 GLN C 48 5.959 4.350 -3.900 1.00 0.00 H new ATOM 0 HE22 GLN C 48 5.528 4.477 -5.609 1.00 0.00 H new ATOM 2274 N LYS C 49 7.237 -2.092 -3.741 1.00 0.00 N ATOM 2275 CA LYS C 49 7.901 -3.363 -4.007 1.00 0.00 C ATOM 2276 C LYS C 49 6.914 -4.535 -4.045 1.00 0.00 C ATOM 2277 O LYS C 49 7.303 -5.676 -4.294 1.00 0.00 O ATOM 2278 CB LYS C 49 8.927 -3.543 -2.892 1.00 0.00 C ATOM 2279 CG LYS C 49 9.912 -4.684 -3.056 1.00 0.00 C ATOM 2280 CD LYS C 49 10.754 -4.842 -1.795 1.00 0.00 C ATOM 2281 CE LYS C 49 11.310 -3.505 -1.321 1.00 0.00 C ATOM 2282 NZ LYS C 49 11.878 -3.580 0.049 1.00 0.00 N ATOM 0 H LYS C 49 7.335 -1.778 -2.775 1.00 0.00 H new ATOM 0 HA LYS C 49 8.373 -3.351 -4.989 1.00 0.00 H new ATOM 0 HB2 LYS C 49 9.492 -2.616 -2.796 1.00 0.00 H new ATOM 0 HB3 LYS C 49 8.390 -3.688 -1.955 1.00 0.00 H new ATOM 0 HG2 LYS C 49 9.375 -5.610 -3.261 1.00 0.00 H new ATOM 0 HG3 LYS C 49 10.559 -4.494 -3.912 1.00 0.00 H new ATOM 0 HD2 LYS C 49 10.148 -5.285 -1.005 1.00 0.00 H new ATOM 0 HD3 LYS C 49 11.576 -5.530 -1.990 1.00 0.00 H new ATOM 0 HE2 LYS C 49 12.082 -3.170 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS C 49 10.517 -2.757 -1.342 1.00 0.00 H new ATOM 0 HZ1 LYS C 49 11.867 -2.634 0.482 1.00 0.00 H new ATOM 0 HZ2 LYS C 49 11.309 -4.232 0.626 1.00 0.00 H new ATOM 0 HZ3 LYS C 49 12.857 -3.927 0.000 1.00 0.00 H new ATOM 2296 N HIS C 50 5.641 -4.289 -3.750 1.00 0.00 N ATOM 2297 CA HIS C 50 4.659 -5.343 -4.007 1.00 0.00 C ATOM 2298 C HIS C 50 3.585 -4.968 -5.038 1.00 0.00 C ATOM 2299 O HIS C 50 2.720 -5.787 -5.334 1.00 0.00 O ATOM 2300 CB HIS C 50 4.031 -5.791 -2.682 1.00 0.00 C ATOM 2301 CG HIS C 50 5.068 -6.260 -1.704 1.00 0.00 C ATOM 2302 ND1 HIS C 50 5.729 -7.452 -1.842 1.00 0.00 N ATOM 2303 CD2 HIS C 50 5.626 -5.652 -0.633 1.00 0.00 C ATOM 2304 CE1 HIS C 50 6.650 -7.556 -0.908 1.00 0.00 C ATOM 2305 NE2 HIS C 50 6.613 -6.477 -0.158 1.00 0.00 N ATOM 0 H HIS C 50 5.277 -3.422 -3.355 1.00 0.00 H new ATOM 0 HA HIS C 50 5.200 -6.173 -4.462 1.00 0.00 H new ATOM 0 HB2 HIS C 50 3.470 -4.964 -2.248 1.00 0.00 H new ATOM 0 HB3 HIS C 50 3.319 -6.595 -2.871 1.00 0.00 H new ATOM 0 HD2 HIS C 50 5.346 -4.692 -0.226 1.00 0.00 H new ATOM 0 HE1 HIS C 50 7.324 -8.390 -0.779 1.00 0.00 H new ATOM 0 HE2 HIS C 50 7.216 -6.286 0.642 1.00 0.00 H new ATOM 2314 N LEU C 51 3.624 -3.753 -5.582 1.00 0.00 N ATOM 2315 CA LEU C 51 2.751 -3.414 -6.720 1.00 0.00 C ATOM 2316 C LEU C 51 3.561 -3.004 -7.940 1.00 0.00 C ATOM 2317 O LEU C 51 3.311 -3.453 -9.056 1.00 0.00 O ATOM 2318 CB LEU C 51 1.788 -2.256 -6.409 1.00 0.00 C ATOM 2319 CG LEU C 51 0.621 -2.553 -5.460 1.00 0.00 C ATOM 2320 CD1 LEU C 51 -0.182 -3.761 -5.926 1.00 0.00 C ATOM 2321 CD2 LEU C 51 1.120 -2.751 -4.048 1.00 0.00 C ATOM 0 H LEU C 51 4.233 -2.998 -5.267 1.00 0.00 H new ATOM 0 HA LEU C 51 2.180 -4.321 -6.917 1.00 0.00 H new ATOM 0 HB2 LEU C 51 2.369 -1.438 -5.984 1.00 0.00 H new ATOM 0 HB3 LEU C 51 1.374 -1.898 -7.352 1.00 0.00 H new ATOM 0 HG LEU C 51 -0.046 -1.691 -5.472 1.00 0.00 H new ATOM 0 HD11 LEU C 51 -1.001 -3.943 -5.231 1.00 0.00 H new ATOM 0 HD12 LEU C 51 -0.586 -3.568 -6.920 1.00 0.00 H new ATOM 0 HD13 LEU C 51 0.466 -4.637 -5.961 1.00 0.00 H new ATOM 0 HD21 LEU C 51 0.277 -2.961 -3.390 1.00 0.00 H new ATOM 0 HD22 LEU C 51 1.817 -3.589 -4.023 1.00 0.00 H new ATOM 0 HD23 LEU C 51 1.627 -1.847 -3.711 1.00 0.00 H new ATOM 2333 N ASN C 52 4.523 -2.134 -7.711 1.00 0.00 N ATOM 2334 CA ASN C 52 5.203 -1.420 -8.781 1.00 0.00 C ATOM 2335 C ASN C 52 6.661 -1.851 -8.934 1.00 0.00 C ATOM 2336 O ASN C 52 7.220 -1.796 -10.029 1.00 0.00 O ATOM 2337 CB ASN C 52 5.114 0.080 -8.493 1.00 0.00 C ATOM 2338 CG ASN C 52 4.002 0.766 -9.271 1.00 0.00 C ATOM 2339 OD1 ASN C 52 2.952 0.026 -9.600 1.00 0.00 O flip ATOM 2340 ND2 ASN C 52 4.088 1.955 -9.580 1.00 0.00 N flip ATOM 0 H ASN C 52 4.859 -1.899 -6.777 1.00 0.00 H new ATOM 0 HA ASN C 52 4.712 -1.658 -9.725 1.00 0.00 H new ATOM 0 HB2 ASN C 52 4.951 0.231 -7.426 1.00 0.00 H new ATOM 0 HB3 ASN C 52 6.066 0.549 -8.739 1.00 0.00 H new ATOM 0 HD21 ASN C 52 4.911 2.494 -9.310 1.00 0.00 H new ATOM 0 HD22 ASN C 52 3.336 2.401 -10.106 1.00 0.00 H new ATOM 2347 N LYS C 53 7.268 -2.275 -7.841 1.00 0.00 N ATOM 2348 CA LYS C 53 8.651 -2.706 -7.842 1.00 0.00 C ATOM 2349 C LYS C 53 8.744 -4.211 -7.628 1.00 0.00 C ATOM 2350 O LYS C 53 9.070 -4.632 -6.504 1.00 0.00 O ATOM 2351 CB LYS C 53 9.419 -1.978 -6.737 1.00 0.00 C ATOM 2352 CG LYS C 53 10.237 -0.799 -7.228 1.00 0.00 C ATOM 2353 CD LYS C 53 11.377 -0.493 -6.269 1.00 0.00 C ATOM 2354 CE LYS C 53 10.878 -0.070 -4.900 1.00 0.00 C ATOM 2355 NZ LYS C 53 12.005 0.211 -3.974 1.00 0.00 N ATOM 2356 OXT LYS C 53 8.486 -4.966 -8.587 1.00 0.00 O ATOM 0 H LYS C 53 6.815 -2.330 -6.929 1.00 0.00 H new ATOM 0 HA LYS C 53 9.090 -2.465 -8.810 1.00 0.00 H new ATOM 0 HB2 LYS C 53 8.710 -1.628 -5.986 1.00 0.00 H new ATOM 0 HB3 LYS C 53 10.083 -2.687 -6.243 1.00 0.00 H new ATOM 0 HG2 LYS C 53 10.638 -1.016 -8.218 1.00 0.00 H new ATOM 0 HG3 LYS C 53 9.596 0.077 -7.329 1.00 0.00 H new ATOM 0 HD2 LYS C 53 12.010 -1.375 -6.167 1.00 0.00 H new ATOM 0 HD3 LYS C 53 11.999 0.298 -6.687 1.00 0.00 H new ATOM 0 HE2 LYS C 53 10.255 0.819 -4.997 1.00 0.00 H new ATOM 0 HE3 LYS C 53 10.249 -0.856 -4.482 1.00 0.00 H new ATOM 0 HZ1 LYS C 53 11.679 0.114 -2.991 1.00 0.00 H new ATOM 0 HZ2 LYS C 53 12.777 -0.463 -4.151 1.00 0.00 H new ATOM 0 HZ3 LYS C 53 12.349 1.180 -4.130 1.00 0.00 H new TER 2370 LYS C 53 HETATM 2371 ZN ZN A 54 -20.074 -4.019 -2.745 1.00 0.00 ZN HETATM 2372 ZN ZN B 54 13.532 -15.178 -3.138 1.00 0.00 ZN HETATM 2373 ZN ZN C 54 6.420 19.714 -2.883 1.00 0.00 ZN