USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 701 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 22 HIS HD1 : A 22 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 71 TYR OH : rot -177:sc= 0.696 USER MOD Set 1.2: A 80 HIS : no HD1:sc= -7.6! C(o=-6.9!,f=-20!) USER MOD Set 2.1: A 14 TYR OH : rot 165:sc= -0.502 USER MOD Set 2.2: A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= 0.673 USER MOD Set 3.2: A 57 SER OG : rot 125:sc= 0.679 USER MOD Single : A 1 VAL N :NH3+ -131:sc= -1.05 (180deg=-1.3) USER MOD Single : A 2 HIS : no HD1:sc= -7.2! C(o=-7.2!,f=-13!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -160:sc= -0.0251 (180deg=-0.339) USER MOD Single : A 21 LYS NZ :NH3+ -156:sc= -3.12! (180deg=-3.83!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -6.06! C(o=-6.1!,f=-8.3!) USER MOD Single : A 34 LYS NZ :NH3+ -142:sc= -0.208 (180deg=-1.18!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -130:sc= -0.815 (180deg=-3.96!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 CYS SG : rot -90:sc= -2.43! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -129:sc= -0.142 (180deg=-2.17) USER MOD Single : A 70 THR OG1 : rot -93:sc= -4.97! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -0.483 F(o=-2.7,f=-0.48) USER MOD Single : A 78 GLN : amide:sc= -0.945 X(o=-0.95,f=-0.56) USER MOD Single : A 82 ASN : amide:sc= -3.12! C(o=-3.1!,f=-3.9!) USER MOD Single : A 83 HIS : no HD1:sc= -3.03! C(o=-3!,f=-2.6!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -15.662 -5.687 2.247 1.00 0.00 N ATOM 2 CA VAL A 1 -15.201 -5.411 3.637 1.00 0.00 C ATOM 3 C VAL A 1 -14.745 -6.717 4.291 1.00 0.00 C ATOM 4 O VAL A 1 -15.415 -7.721 4.202 1.00 0.00 O ATOM 5 CB VAL A 1 -16.353 -4.812 4.446 1.00 0.00 C ATOM 6 CG1 VAL A 1 -16.880 -3.563 3.738 1.00 0.00 C ATOM 7 CG2 VAL A 1 -17.480 -5.840 4.568 1.00 0.00 C ATOM 0 H1 VAL A 1 -15.216 -5.013 1.593 1.00 0.00 H new ATOM 0 H2 VAL A 1 -15.397 -6.656 1.979 1.00 0.00 H new ATOM 0 H3 VAL A 1 -16.696 -5.585 2.197 1.00 0.00 H new ATOM 0 HA VAL A 1 -14.369 -4.707 3.611 1.00 0.00 H new ATOM 0 HB VAL A 1 -15.995 -4.543 5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -17.701 -3.137 4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -16.079 -2.829 3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -17.237 -3.832 2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -18.301 -5.413 5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -17.836 -6.109 3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -17.107 -6.731 5.073 1.00 0.00 H new ATOM 19 N HIS A 2 -13.605 -6.692 4.940 1.00 0.00 N ATOM 20 CA HIS A 2 -13.060 -7.911 5.617 1.00 0.00 C ATOM 21 C HIS A 2 -12.723 -8.978 4.578 1.00 0.00 C ATOM 22 O HIS A 2 -11.603 -9.422 4.474 1.00 0.00 O ATOM 23 CB HIS A 2 -14.074 -8.464 6.621 1.00 0.00 C ATOM 24 CG HIS A 2 -13.430 -9.559 7.423 1.00 0.00 C ATOM 25 ND1 HIS A 2 -12.788 -9.318 8.630 1.00 0.00 N ATOM 26 CD2 HIS A 2 -13.319 -10.907 7.201 1.00 0.00 C ATOM 27 CE1 HIS A 2 -12.325 -10.497 9.084 1.00 0.00 C ATOM 28 NE2 HIS A 2 -12.622 -11.496 8.250 1.00 0.00 N ATOM 0 H HIS A 2 -13.019 -5.862 5.030 1.00 0.00 H new ATOM 0 HA HIS A 2 -12.153 -7.634 6.154 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -14.420 -7.669 7.281 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.950 -8.847 6.097 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -13.713 -11.431 6.343 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -11.781 -10.620 10.009 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -12.387 -12.483 8.359 1.00 0.00 H new ATOM 37 N PHE A 3 -13.681 -9.382 3.808 1.00 0.00 N ATOM 38 CA PHE A 3 -13.423 -10.412 2.763 1.00 0.00 C ATOM 39 C PHE A 3 -12.647 -9.777 1.607 1.00 0.00 C ATOM 40 O PHE A 3 -13.180 -8.988 0.851 1.00 0.00 O ATOM 41 CB PHE A 3 -14.755 -10.959 2.242 1.00 0.00 C ATOM 42 CG PHE A 3 -15.646 -11.308 3.410 1.00 0.00 C ATOM 43 CD1 PHE A 3 -15.378 -12.448 4.178 1.00 0.00 C ATOM 44 CD2 PHE A 3 -16.742 -10.495 3.723 1.00 0.00 C ATOM 45 CE1 PHE A 3 -16.206 -12.773 5.260 1.00 0.00 C ATOM 46 CE2 PHE A 3 -17.569 -10.819 4.804 1.00 0.00 C ATOM 47 CZ PHE A 3 -17.302 -11.959 5.573 1.00 0.00 C ATOM 0 H PHE A 3 -14.642 -9.044 3.853 1.00 0.00 H new ATOM 0 HA PHE A 3 -12.840 -11.227 3.192 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -15.242 -10.218 1.608 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -14.582 -11.841 1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -14.533 -13.076 3.936 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -16.949 -9.617 3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -15.999 -13.652 5.853 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -18.413 -10.190 5.046 1.00 0.00 H new ATOM 0 HZ PHE A 3 -17.941 -12.210 6.407 1.00 0.00 H new ATOM 57 N CYS A 4 -11.388 -10.102 1.471 1.00 0.00 N ATOM 58 CA CYS A 4 -10.578 -9.505 0.372 1.00 0.00 C ATOM 59 C CYS A 4 -11.362 -9.559 -0.937 1.00 0.00 C ATOM 60 O CYS A 4 -12.129 -10.471 -1.178 1.00 0.00 O ATOM 61 CB CYS A 4 -9.275 -10.283 0.210 1.00 0.00 C ATOM 62 SG CYS A 4 -8.050 -9.230 -0.604 1.00 0.00 S ATOM 0 H CYS A 4 -10.887 -10.755 2.074 1.00 0.00 H new ATOM 0 HA CYS A 4 -10.355 -8.467 0.620 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -8.906 -10.604 1.184 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -9.446 -11.184 -0.379 1.00 0.00 H new ATOM 67 N ASP A 5 -11.181 -8.582 -1.778 1.00 0.00 N ATOM 68 CA ASP A 5 -11.919 -8.562 -3.068 1.00 0.00 C ATOM 69 C ASP A 5 -11.245 -9.495 -4.076 1.00 0.00 C ATOM 70 O ASP A 5 -11.884 -9.978 -4.992 1.00 0.00 O ATOM 71 CB ASP A 5 -11.931 -7.137 -3.623 1.00 0.00 C ATOM 72 CG ASP A 5 -13.276 -6.478 -3.314 1.00 0.00 C ATOM 73 OD1 ASP A 5 -14.220 -6.736 -4.042 1.00 0.00 O ATOM 74 OD2 ASP A 5 -13.339 -5.728 -2.354 1.00 0.00 O ATOM 0 H ASP A 5 -10.551 -7.794 -1.627 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.941 -8.901 -2.899 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.120 -6.557 -3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.761 -7.154 -4.700 1.00 0.00 H new ATOM 79 N LYS A 6 -9.965 -9.748 -3.930 1.00 0.00 N ATOM 80 CA LYS A 6 -9.272 -10.644 -4.904 1.00 0.00 C ATOM 81 C LYS A 6 -9.109 -12.045 -4.313 1.00 0.00 C ATOM 82 O LYS A 6 -9.414 -13.035 -4.949 1.00 0.00 O ATOM 83 CB LYS A 6 -7.891 -10.068 -5.240 1.00 0.00 C ATOM 84 CG LYS A 6 -7.637 -10.149 -6.754 1.00 0.00 C ATOM 85 CD LYS A 6 -7.531 -11.615 -7.198 1.00 0.00 C ATOM 86 CE LYS A 6 -6.301 -12.273 -6.564 1.00 0.00 C ATOM 87 NZ LYS A 6 -5.782 -13.332 -7.476 1.00 0.00 N ATOM 0 H LYS A 6 -9.377 -9.375 -3.185 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.873 -10.710 -5.811 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.831 -9.031 -4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.118 -10.619 -4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.447 -9.656 -7.292 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.718 -9.619 -7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.432 -12.156 -6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.462 -11.669 -8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.529 -11.526 -6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.563 -12.705 -5.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.947 -13.780 -7.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.519 -14.049 -7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.517 -12.906 -8.387 1.00 0.00 H new ATOM 101 N CYS A 7 -8.624 -12.142 -3.110 1.00 0.00 N ATOM 102 CA CYS A 7 -8.435 -13.487 -2.494 1.00 0.00 C ATOM 103 C CYS A 7 -9.778 -14.026 -1.995 1.00 0.00 C ATOM 104 O CYS A 7 -9.920 -15.200 -1.719 1.00 0.00 O ATOM 105 CB CYS A 7 -7.455 -13.384 -1.322 1.00 0.00 C ATOM 106 SG CYS A 7 -6.037 -12.373 -1.812 1.00 0.00 S ATOM 0 H CYS A 7 -8.350 -11.352 -2.525 1.00 0.00 H new ATOM 0 HA CYS A 7 -8.033 -14.169 -3.243 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.950 -12.941 -0.458 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.121 -14.378 -1.024 1.00 0.00 H new ATOM 111 N GLY A 8 -10.765 -13.182 -1.878 1.00 0.00 N ATOM 112 CA GLY A 8 -12.095 -13.657 -1.399 1.00 0.00 C ATOM 113 C GLY A 8 -11.941 -14.304 -0.020 1.00 0.00 C ATOM 114 O GLY A 8 -12.838 -14.962 0.469 1.00 0.00 O ATOM 0 H GLY A 8 -10.710 -12.186 -2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.793 -12.822 -1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.512 -14.375 -2.105 1.00 0.00 H new ATOM 118 N LEU A 9 -10.812 -14.112 0.610 1.00 0.00 N ATOM 119 CA LEU A 9 -10.587 -14.701 1.964 1.00 0.00 C ATOM 120 C LEU A 9 -10.730 -13.590 3.006 1.00 0.00 C ATOM 121 O LEU A 9 -10.603 -12.424 2.690 1.00 0.00 O ATOM 122 CB LEU A 9 -9.170 -15.285 2.032 1.00 0.00 C ATOM 123 CG LEU A 9 -9.212 -16.807 1.849 1.00 0.00 C ATOM 124 CD1 LEU A 9 -9.685 -17.143 0.433 1.00 0.00 C ATOM 125 CD2 LEU A 9 -7.808 -17.377 2.060 1.00 0.00 C ATOM 0 H LEU A 9 -10.031 -13.569 0.243 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.313 -15.491 2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.547 -14.836 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.714 -15.040 2.991 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.901 -17.241 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.714 -18.225 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.682 -16.733 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.996 -16.711 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.831 -18.459 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.125 -16.940 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.466 -17.139 3.067 1.00 0.00 H new ATOM 137 N PRO A 10 -10.992 -13.936 4.241 1.00 0.00 N ATOM 138 CA PRO A 10 -11.150 -12.928 5.321 1.00 0.00 C ATOM 139 C PRO A 10 -9.848 -12.183 5.606 1.00 0.00 C ATOM 140 O PRO A 10 -8.940 -12.690 6.233 1.00 0.00 O ATOM 141 CB PRO A 10 -11.596 -13.728 6.536 1.00 0.00 C ATOM 142 CG PRO A 10 -11.206 -15.144 6.261 1.00 0.00 C ATOM 143 CD PRO A 10 -11.167 -15.308 4.739 1.00 0.00 C ATOM 0 HA PRO A 10 -11.868 -12.156 5.043 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.116 -13.360 7.443 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.672 -13.642 6.687 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.233 -15.368 6.698 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.922 -15.835 6.705 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.346 -15.954 4.428 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.086 -15.756 4.362 1.00 0.00 H new ATOM 151 N ILE A 11 -9.768 -10.979 5.133 1.00 0.00 N ATOM 152 CA ILE A 11 -8.550 -10.149 5.335 1.00 0.00 C ATOM 153 C ILE A 11 -8.137 -10.156 6.807 1.00 0.00 C ATOM 154 O ILE A 11 -8.848 -9.672 7.665 1.00 0.00 O ATOM 155 CB ILE A 11 -8.864 -8.716 4.904 1.00 0.00 C ATOM 156 CG1 ILE A 11 -9.120 -8.678 3.397 1.00 0.00 C ATOM 157 CG2 ILE A 11 -7.684 -7.814 5.232 1.00 0.00 C ATOM 158 CD1 ILE A 11 -9.860 -7.386 3.042 1.00 0.00 C ATOM 0 H ILE A 11 -10.510 -10.522 4.603 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.731 -10.556 4.743 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.750 -8.368 5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.176 -8.731 2.855 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.710 -9.543 3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.910 -6.793 4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.496 -7.836 6.306 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.799 -8.166 4.702 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.044 -7.356 1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.811 -7.353 3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.253 -6.528 3.330 1.00 0.00 H new ATOM 170 N LYS A 12 -6.978 -10.681 7.101 1.00 0.00 N ATOM 171 CA LYS A 12 -6.503 -10.696 8.511 1.00 0.00 C ATOM 172 C LYS A 12 -5.910 -9.323 8.830 1.00 0.00 C ATOM 173 O LYS A 12 -5.979 -8.845 9.944 1.00 0.00 O ATOM 174 CB LYS A 12 -5.430 -11.773 8.681 1.00 0.00 C ATOM 175 CG LYS A 12 -4.963 -11.805 10.139 1.00 0.00 C ATOM 176 CD LYS A 12 -5.026 -13.241 10.665 1.00 0.00 C ATOM 177 CE LYS A 12 -6.488 -13.667 10.815 1.00 0.00 C ATOM 178 NZ LYS A 12 -6.820 -13.802 12.261 1.00 0.00 N ATOM 0 H LYS A 12 -6.341 -11.100 6.424 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.330 -10.915 9.186 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.828 -12.746 8.394 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.586 -11.567 8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.945 -11.424 10.214 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.592 -11.156 10.748 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.509 -13.913 9.980 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.516 -13.310 11.626 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.142 -12.931 10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.656 -14.614 10.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.814 -14.092 12.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.204 -14.520 12.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.675 -12.889 12.737 1.00 0.00 H new ATOM 192 N VAL A 13 -5.338 -8.685 7.844 1.00 0.00 N ATOM 193 CA VAL A 13 -4.746 -7.340 8.052 1.00 0.00 C ATOM 194 C VAL A 13 -5.037 -6.495 6.812 1.00 0.00 C ATOM 195 O VAL A 13 -5.080 -6.992 5.708 1.00 0.00 O ATOM 196 CB VAL A 13 -3.246 -7.465 8.240 1.00 0.00 C ATOM 197 CG1 VAL A 13 -2.738 -6.317 9.114 1.00 0.00 C ATOM 198 CG2 VAL A 13 -2.920 -8.803 8.908 1.00 0.00 C ATOM 0 H VAL A 13 -5.257 -9.046 6.894 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.174 -6.873 8.939 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.757 -7.420 7.267 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.660 -6.410 9.247 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.963 -5.366 8.632 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.228 -6.356 10.087 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.842 -8.890 9.042 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.411 -8.854 9.880 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.274 -9.620 8.279 1.00 0.00 H new ATOM 208 N TYR A 14 -5.255 -5.230 6.982 1.00 0.00 N ATOM 209 CA TYR A 14 -5.581 -4.372 5.810 1.00 0.00 C ATOM 210 C TYR A 14 -4.349 -4.108 4.951 1.00 0.00 C ATOM 211 O TYR A 14 -3.533 -3.260 5.255 1.00 0.00 O ATOM 212 CB TYR A 14 -6.129 -3.038 6.297 1.00 0.00 C ATOM 213 CG TYR A 14 -7.622 -3.127 6.561 1.00 0.00 C ATOM 214 CD1 TYR A 14 -8.214 -4.331 6.974 1.00 0.00 C ATOM 215 CD2 TYR A 14 -8.416 -1.988 6.391 1.00 0.00 C ATOM 216 CE1 TYR A 14 -9.593 -4.389 7.212 1.00 0.00 C ATOM 217 CE2 TYR A 14 -9.794 -2.047 6.629 1.00 0.00 C ATOM 218 CZ TYR A 14 -10.383 -3.247 7.041 1.00 0.00 C ATOM 219 OH TYR A 14 -11.740 -3.305 7.275 1.00 0.00 O ATOM 0 H TYR A 14 -5.223 -4.747 7.880 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.321 -4.897 5.206 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.612 -2.739 7.209 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.933 -2.267 5.552 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.606 -5.213 7.108 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.964 -1.059 6.075 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.047 -5.317 7.528 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.403 -1.165 6.494 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.099 -2.396 7.344 1.00 0.00 H new ATOM 229 N GLY A 15 -4.239 -4.800 3.853 1.00 0.00 N ATOM 230 CA GLY A 15 -3.100 -4.564 2.934 1.00 0.00 C ATOM 231 C GLY A 15 -3.409 -3.303 2.144 1.00 0.00 C ATOM 232 O GLY A 15 -3.962 -3.355 1.066 1.00 0.00 O ATOM 0 H GLY A 15 -4.894 -5.522 3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.172 -4.449 3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.964 -5.413 2.264 1.00 0.00 H new ATOM 236 N ARG A 16 -3.080 -2.171 2.694 1.00 0.00 N ATOM 237 CA ARG A 16 -3.383 -0.883 2.011 1.00 0.00 C ATOM 238 C ARG A 16 -2.480 -0.697 0.795 1.00 0.00 C ATOM 239 O ARG A 16 -1.315 -1.023 0.833 1.00 0.00 O ATOM 240 CB ARG A 16 -3.133 0.259 2.995 1.00 0.00 C ATOM 241 CG ARG A 16 -3.840 1.529 2.526 1.00 0.00 C ATOM 242 CD ARG A 16 -5.038 1.793 3.436 1.00 0.00 C ATOM 243 NE ARG A 16 -5.880 2.878 2.860 1.00 0.00 N ATOM 244 CZ ARG A 16 -6.869 2.594 2.054 1.00 0.00 C ATOM 245 NH1 ARG A 16 -7.088 1.360 1.686 1.00 0.00 N ATOM 246 NH2 ARG A 16 -7.632 3.550 1.604 1.00 0.00 N ATOM 0 H ARG A 16 -2.610 -2.080 3.595 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.421 -0.888 1.680 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.492 -0.020 3.985 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.062 0.443 3.084 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.153 2.375 2.553 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.169 1.418 1.493 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.628 0.883 3.549 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.695 2.076 4.431 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.683 3.851 3.096 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.486 0.611 2.028 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.862 1.145 1.057 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.456 4.516 1.881 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.405 3.332 0.975 1.00 0.00 H new ATOM 260 N MET A 17 -3.012 -0.160 -0.277 1.00 0.00 N ATOM 261 CA MET A 17 -2.185 0.067 -1.497 1.00 0.00 C ATOM 262 C MET A 17 -2.355 1.508 -1.980 1.00 0.00 C ATOM 263 O MET A 17 -3.465 2.000 -2.106 1.00 0.00 O ATOM 264 CB MET A 17 -2.635 -0.856 -2.629 1.00 0.00 C ATOM 265 CG MET A 17 -3.026 -2.222 -2.078 1.00 0.00 C ATOM 266 SD MET A 17 -3.068 -3.422 -3.434 1.00 0.00 S ATOM 267 CE MET A 17 -1.314 -3.874 -3.414 1.00 0.00 C ATOM 0 H MET A 17 -3.987 0.131 -0.356 1.00 0.00 H new ATOM 0 HA MET A 17 -1.145 -0.135 -1.239 1.00 0.00 H new ATOM 0 HB2 MET A 17 -3.481 -0.413 -3.153 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.832 -0.967 -3.357 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.312 -2.539 -1.318 1.00 0.00 H new ATOM 0 HG3 MET A 17 -4.002 -2.167 -1.595 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.042 -4.321 -4.371 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.710 -2.982 -3.245 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.132 -4.592 -2.614 1.00 0.00 H new ATOM 277 N ILE A 18 -1.260 2.166 -2.276 1.00 0.00 N ATOM 278 CA ILE A 18 -1.323 3.569 -2.784 1.00 0.00 C ATOM 279 C ILE A 18 -0.723 3.607 -4.198 1.00 0.00 C ATOM 280 O ILE A 18 0.071 2.760 -4.550 1.00 0.00 O ATOM 281 CB ILE A 18 -0.509 4.491 -1.868 1.00 0.00 C ATOM 282 CG1 ILE A 18 0.548 3.683 -1.129 1.00 0.00 C ATOM 283 CG2 ILE A 18 -1.434 5.156 -0.846 1.00 0.00 C ATOM 284 CD1 ILE A 18 1.440 4.624 -0.316 1.00 0.00 C ATOM 0 H ILE A 18 -0.318 1.786 -2.186 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.359 3.906 -2.802 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.026 5.255 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.071 2.958 -0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.151 3.118 -1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.850 5.810 -0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.190 5.743 -1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.922 4.389 -0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.196 4.043 0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.929 5.331 -0.986 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.832 5.169 0.406 1.00 0.00 H new ATOM 296 N PRO A 19 -1.089 4.576 -5.008 1.00 0.00 N ATOM 297 CA PRO A 19 -2.059 5.649 -4.644 1.00 0.00 C ATOM 298 C PRO A 19 -3.507 5.173 -4.772 1.00 0.00 C ATOM 299 O PRO A 19 -4.441 5.926 -4.580 1.00 0.00 O ATOM 300 CB PRO A 19 -1.768 6.749 -5.662 1.00 0.00 C ATOM 301 CG PRO A 19 -1.263 6.037 -6.873 1.00 0.00 C ATOM 302 CD PRO A 19 -0.600 4.744 -6.387 1.00 0.00 C ATOM 0 HA PRO A 19 -1.949 5.972 -3.609 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.666 7.323 -5.889 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.027 7.452 -5.281 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.080 5.817 -7.560 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.549 6.657 -7.415 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.878 3.896 -7.013 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.487 4.820 -6.416 1.00 0.00 H new ATOM 310 N CYS A 20 -3.696 3.924 -5.096 1.00 0.00 N ATOM 311 CA CYS A 20 -5.077 3.390 -5.240 1.00 0.00 C ATOM 312 C CYS A 20 -5.848 3.651 -3.949 1.00 0.00 C ATOM 313 O CYS A 20 -7.029 3.938 -3.963 1.00 0.00 O ATOM 314 CB CYS A 20 -5.011 1.885 -5.502 1.00 0.00 C ATOM 315 SG CYS A 20 -6.335 1.409 -6.642 1.00 0.00 S ATOM 0 H CYS A 20 -2.951 3.249 -5.268 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.581 3.881 -6.073 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -4.041 1.621 -5.924 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.110 1.338 -4.565 1.00 0.00 H new ATOM 320 N LYS A 21 -5.187 3.542 -2.831 1.00 0.00 N ATOM 321 CA LYS A 21 -5.867 3.771 -1.530 1.00 0.00 C ATOM 322 C LYS A 21 -6.854 2.631 -1.307 1.00 0.00 C ATOM 323 O LYS A 21 -7.875 2.788 -0.670 1.00 0.00 O ATOM 324 CB LYS A 21 -6.608 5.115 -1.552 1.00 0.00 C ATOM 325 CG LYS A 21 -6.247 5.920 -0.301 1.00 0.00 C ATOM 326 CD LYS A 21 -7.189 7.117 -0.174 1.00 0.00 C ATOM 327 CE LYS A 21 -6.440 8.293 0.453 1.00 0.00 C ATOM 328 NZ LYS A 21 -5.820 7.858 1.737 1.00 0.00 N ATOM 0 H LYS A 21 -4.198 3.302 -2.764 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.136 3.800 -0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.339 5.675 -2.448 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.684 4.948 -1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.323 5.289 0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.214 6.262 -0.361 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.571 7.398 -1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.050 6.852 0.440 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.672 8.655 -0.230 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.125 9.122 0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.673 8.686 2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.449 7.182 2.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.905 7.403 1.544 1.00 0.00 H new ATOM 342 N HIS A 22 -6.550 1.480 -1.849 1.00 0.00 N ATOM 343 CA HIS A 22 -7.466 0.314 -1.695 1.00 0.00 C ATOM 344 C HIS A 22 -6.941 -0.615 -0.598 1.00 0.00 C ATOM 345 O HIS A 22 -5.974 -0.303 0.065 1.00 0.00 O ATOM 346 CB HIS A 22 -7.550 -0.446 -3.019 1.00 0.00 C ATOM 347 CG HIS A 22 -8.680 0.117 -3.836 1.00 0.00 C ATOM 348 ND1 HIS A 22 -8.486 0.650 -5.102 1.00 0.00 N ATOM 349 CD2 HIS A 22 -10.021 0.244 -3.576 1.00 0.00 C ATOM 350 CE1 HIS A 22 -9.683 1.072 -5.552 1.00 0.00 C ATOM 351 NE2 HIS A 22 -10.649 0.846 -4.660 1.00 0.00 N ATOM 0 H HIS A 22 -5.706 1.299 -2.392 1.00 0.00 H new ATOM 0 HA HIS A 22 -8.459 0.668 -1.417 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.610 -0.357 -3.564 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.712 -1.508 -2.834 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.513 -0.075 -2.669 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.841 1.535 -6.515 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -11.640 1.068 -4.754 1.00 0.00 H new ATOM 359 N VAL A 23 -7.569 -1.750 -0.399 1.00 0.00 N ATOM 360 CA VAL A 23 -7.090 -2.687 0.663 1.00 0.00 C ATOM 361 C VAL A 23 -7.207 -4.139 0.205 1.00 0.00 C ATOM 362 O VAL A 23 -8.023 -4.477 -0.629 1.00 0.00 O ATOM 363 CB VAL A 23 -7.921 -2.525 1.930 1.00 0.00 C ATOM 364 CG1 VAL A 23 -7.014 -2.087 3.075 1.00 0.00 C ATOM 365 CG2 VAL A 23 -9.013 -1.481 1.706 1.00 0.00 C ATOM 0 H VAL A 23 -8.386 -2.065 -0.922 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.046 -2.446 0.861 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.389 -3.477 2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.605 -1.970 3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.244 -2.841 3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.544 -1.136 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.603 -1.371 2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.556 -0.525 1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.661 -1.801 0.890 1.00 0.00 H new ATOM 375 N PHE A 24 -6.410 -4.997 0.787 1.00 0.00 N ATOM 376 CA PHE A 24 -6.453 -6.453 0.441 1.00 0.00 C ATOM 377 C PHE A 24 -5.722 -7.225 1.529 1.00 0.00 C ATOM 378 O PHE A 24 -5.034 -6.648 2.345 1.00 0.00 O ATOM 379 CB PHE A 24 -5.737 -6.718 -0.887 1.00 0.00 C ATOM 380 CG PHE A 24 -6.305 -5.838 -1.964 1.00 0.00 C ATOM 381 CD1 PHE A 24 -7.416 -6.254 -2.699 1.00 0.00 C ATOM 382 CD2 PHE A 24 -5.714 -4.603 -2.223 1.00 0.00 C ATOM 383 CE1 PHE A 24 -7.939 -5.430 -3.700 1.00 0.00 C ATOM 384 CE2 PHE A 24 -6.231 -3.776 -3.224 1.00 0.00 C ATOM 385 CZ PHE A 24 -7.346 -4.188 -3.964 1.00 0.00 C ATOM 0 H PHE A 24 -5.721 -4.749 1.497 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.494 -6.764 0.356 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.669 -6.529 -0.777 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.848 -7.766 -1.166 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -7.871 -7.212 -2.495 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.856 -4.285 -1.650 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.799 -5.750 -4.269 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.771 -2.820 -3.427 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.748 -3.550 -4.737 1.00 0.00 H new ATOM 395 N CYS A 25 -5.835 -8.521 1.552 1.00 0.00 N ATOM 396 CA CYS A 25 -5.098 -9.272 2.603 1.00 0.00 C ATOM 397 C CYS A 25 -3.620 -8.897 2.503 1.00 0.00 C ATOM 398 O CYS A 25 -2.954 -9.209 1.537 1.00 0.00 O ATOM 399 CB CYS A 25 -5.264 -10.785 2.417 1.00 0.00 C ATOM 400 SG CYS A 25 -6.297 -11.130 0.977 1.00 0.00 S ATOM 0 H CYS A 25 -6.391 -9.082 0.907 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.497 -9.013 3.584 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.287 -11.252 2.293 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.714 -11.221 3.309 1.00 0.00 H new ATOM 405 N TYR A 26 -3.103 -8.216 3.490 1.00 0.00 N ATOM 406 CA TYR A 26 -1.667 -7.808 3.444 1.00 0.00 C ATOM 407 C TYR A 26 -0.797 -9.011 3.097 1.00 0.00 C ATOM 408 O TYR A 26 0.225 -8.878 2.459 1.00 0.00 O ATOM 409 CB TYR A 26 -1.254 -7.242 4.803 1.00 0.00 C ATOM 410 CG TYR A 26 0.191 -6.785 4.768 1.00 0.00 C ATOM 411 CD1 TYR A 26 0.605 -5.787 3.870 1.00 0.00 C ATOM 412 CD2 TYR A 26 1.121 -7.361 5.643 1.00 0.00 C ATOM 413 CE1 TYR A 26 1.941 -5.372 3.852 1.00 0.00 C ATOM 414 CE2 TYR A 26 2.457 -6.945 5.622 1.00 0.00 C ATOM 415 CZ TYR A 26 2.867 -5.951 4.727 1.00 0.00 C ATOM 416 OH TYR A 26 4.184 -5.541 4.707 1.00 0.00 O ATOM 0 H TYR A 26 -3.611 -7.924 4.325 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.534 -7.043 2.679 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.900 -6.405 5.067 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.384 -8.001 5.575 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.108 -5.340 3.193 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.806 -8.128 6.335 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.258 -4.604 3.162 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.172 -7.392 6.297 1.00 0.00 H new ATOM 0 HH TYR A 26 4.693 -6.043 5.378 1.00 0.00 H new ATOM 426 N ASP A 27 -1.194 -10.183 3.489 1.00 0.00 N ATOM 427 CA ASP A 27 -0.376 -11.378 3.155 1.00 0.00 C ATOM 428 C ASP A 27 -0.435 -11.586 1.650 1.00 0.00 C ATOM 429 O ASP A 27 0.549 -11.905 1.013 1.00 0.00 O ATOM 430 CB ASP A 27 -0.932 -12.609 3.874 1.00 0.00 C ATOM 431 CG ASP A 27 0.213 -13.370 4.546 1.00 0.00 C ATOM 432 OD1 ASP A 27 0.606 -12.971 5.630 1.00 0.00 O ATOM 433 OD2 ASP A 27 0.677 -14.337 3.965 1.00 0.00 O ATOM 0 H ASP A 27 -2.043 -10.367 4.023 1.00 0.00 H new ATOM 0 HA ASP A 27 0.655 -11.229 3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.668 -12.306 4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.445 -13.257 3.164 1.00 0.00 H new ATOM 438 N CYS A 28 -1.582 -11.389 1.073 1.00 0.00 N ATOM 439 CA CYS A 28 -1.699 -11.550 -0.393 1.00 0.00 C ATOM 440 C CYS A 28 -1.201 -10.275 -1.057 1.00 0.00 C ATOM 441 O CYS A 28 -0.782 -10.280 -2.194 1.00 0.00 O ATOM 442 CB CYS A 28 -3.157 -11.793 -0.782 1.00 0.00 C ATOM 443 SG CYS A 28 -3.769 -10.367 -1.715 1.00 0.00 S ATOM 0 H CYS A 28 -2.441 -11.124 1.554 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.105 -12.404 -0.718 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.240 -12.699 -1.383 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.763 -11.946 0.111 1.00 0.00 H new ATOM 448 N ALA A 29 -1.230 -9.181 -0.353 1.00 0.00 N ATOM 449 CA ALA A 29 -0.745 -7.921 -0.955 1.00 0.00 C ATOM 450 C ALA A 29 0.773 -8.009 -1.108 1.00 0.00 C ATOM 451 O ALA A 29 1.338 -7.531 -2.074 1.00 0.00 O ATOM 452 CB ALA A 29 -1.143 -6.741 -0.054 1.00 0.00 C ATOM 0 H ALA A 29 -1.567 -9.109 0.607 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.192 -7.765 -1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.787 -5.810 -0.495 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.228 -6.706 0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.697 -6.869 0.932 1.00 0.00 H new ATOM 458 N ILE A 30 1.440 -8.639 -0.178 1.00 0.00 N ATOM 459 CA ILE A 30 2.910 -8.768 -0.292 1.00 0.00 C ATOM 460 C ILE A 30 3.247 -10.000 -1.118 1.00 0.00 C ATOM 461 O ILE A 30 4.201 -10.007 -1.869 1.00 0.00 O ATOM 462 CB ILE A 30 3.516 -8.891 1.099 1.00 0.00 C ATOM 463 CG1 ILE A 30 3.084 -10.206 1.766 1.00 0.00 C ATOM 464 CG2 ILE A 30 3.032 -7.714 1.929 1.00 0.00 C ATOM 465 CD1 ILE A 30 3.648 -10.270 3.188 1.00 0.00 C ATOM 0 H ILE A 30 1.027 -9.066 0.651 1.00 0.00 H new ATOM 0 HA ILE A 30 3.320 -7.886 -0.784 1.00 0.00 H new ATOM 0 HB ILE A 30 4.604 -8.891 1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.996 -10.272 1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.441 -11.055 1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.453 -7.779 2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.351 -6.783 1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.944 -7.735 1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.341 -11.203 3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.736 -10.224 3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.269 -9.428 3.768 1.00 0.00 H new ATOM 477 N LEU A 31 2.473 -11.043 -1.000 1.00 0.00 N ATOM 478 CA LEU A 31 2.779 -12.250 -1.806 1.00 0.00 C ATOM 479 C LEU A 31 2.417 -11.961 -3.259 1.00 0.00 C ATOM 480 O LEU A 31 2.955 -12.555 -4.169 1.00 0.00 O ATOM 481 CB LEU A 31 1.990 -13.454 -1.291 1.00 0.00 C ATOM 482 CG LEU A 31 2.754 -14.105 -0.137 1.00 0.00 C ATOM 483 CD1 LEU A 31 1.772 -14.834 0.780 1.00 0.00 C ATOM 484 CD2 LEU A 31 3.768 -15.106 -0.696 1.00 0.00 C ATOM 0 H LEU A 31 1.657 -11.110 -0.391 1.00 0.00 H new ATOM 0 HA LEU A 31 3.840 -12.488 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.002 -13.139 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.839 -14.175 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 31 3.277 -13.335 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.317 -15.298 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.050 -14.122 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.247 -15.603 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.313 -15.570 0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.245 -15.875 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.470 -14.587 -1.349 1.00 0.00 H new ATOM 496 N HIS A 32 1.525 -11.030 -3.492 1.00 0.00 N ATOM 497 CA HIS A 32 1.169 -10.699 -4.895 1.00 0.00 C ATOM 498 C HIS A 32 2.271 -9.815 -5.471 1.00 0.00 C ATOM 499 O HIS A 32 2.864 -10.124 -6.486 1.00 0.00 O ATOM 500 CB HIS A 32 -0.168 -9.955 -4.934 1.00 0.00 C ATOM 501 CG HIS A 32 -1.292 -10.917 -4.663 1.00 0.00 C ATOM 502 ND1 HIS A 32 -2.622 -10.524 -4.682 1.00 0.00 N ATOM 503 CD2 HIS A 32 -1.302 -12.258 -4.353 1.00 0.00 C ATOM 504 CE1 HIS A 32 -3.370 -11.605 -4.390 1.00 0.00 C ATOM 505 NE2 HIS A 32 -2.614 -12.683 -4.183 1.00 0.00 N ATOM 0 H HIS A 32 1.036 -10.493 -2.776 1.00 0.00 H new ATOM 0 HA HIS A 32 1.073 -11.612 -5.482 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -0.173 -9.157 -4.192 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -0.305 -9.485 -5.908 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -0.426 -12.883 -4.257 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.448 -11.599 -4.331 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.932 -13.623 -3.949 1.00 0.00 H new ATOM 514 N GLU A 33 2.559 -8.722 -4.824 1.00 0.00 N ATOM 515 CA GLU A 33 3.632 -7.824 -5.333 1.00 0.00 C ATOM 516 C GLU A 33 4.941 -8.610 -5.447 1.00 0.00 C ATOM 517 O GLU A 33 5.752 -8.355 -6.315 1.00 0.00 O ATOM 518 CB GLU A 33 3.794 -6.630 -4.380 1.00 0.00 C ATOM 519 CG GLU A 33 4.964 -6.851 -3.413 1.00 0.00 C ATOM 520 CD GLU A 33 4.925 -5.785 -2.318 1.00 0.00 C ATOM 521 OE1 GLU A 33 4.975 -4.615 -2.656 1.00 0.00 O ATOM 522 OE2 GLU A 33 4.849 -6.156 -1.158 1.00 0.00 O ATOM 0 H GLU A 33 2.100 -8.412 -3.968 1.00 0.00 H new ATOM 0 HA GLU A 33 3.365 -7.447 -6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.962 -5.720 -4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.873 -6.484 -3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.902 -7.845 -2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.910 -6.800 -3.952 1.00 0.00 H new ATOM 529 N LYS A 34 5.156 -9.569 -4.584 1.00 0.00 N ATOM 530 CA LYS A 34 6.413 -10.362 -4.662 1.00 0.00 C ATOM 531 C LYS A 34 6.270 -11.434 -5.743 1.00 0.00 C ATOM 532 O LYS A 34 7.242 -11.882 -6.318 1.00 0.00 O ATOM 533 CB LYS A 34 6.685 -11.035 -3.315 1.00 0.00 C ATOM 534 CG LYS A 34 7.286 -10.017 -2.345 1.00 0.00 C ATOM 535 CD LYS A 34 7.045 -10.479 -0.906 1.00 0.00 C ATOM 536 CE LYS A 34 8.232 -10.072 -0.032 1.00 0.00 C ATOM 537 NZ LYS A 34 9.467 -10.743 -0.526 1.00 0.00 N ATOM 0 H LYS A 34 4.518 -9.834 -3.834 1.00 0.00 H new ATOM 0 HA LYS A 34 7.242 -9.699 -4.908 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.759 -11.440 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.369 -11.874 -3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.355 -9.910 -2.530 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.835 -9.037 -2.504 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.127 -10.036 -0.520 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.913 -11.561 -0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.360 -8.990 -0.055 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.045 -10.349 1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.056 -11.026 0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.207 -11.586 -1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.001 -10.086 -1.130 1.00 0.00 H new ATOM 551 N LYS A 35 5.066 -11.863 -6.014 1.00 0.00 N ATOM 552 CA LYS A 35 4.870 -12.919 -7.046 1.00 0.00 C ATOM 553 C LYS A 35 4.931 -12.310 -8.448 1.00 0.00 C ATOM 554 O LYS A 35 4.890 -13.018 -9.435 1.00 0.00 O ATOM 555 CB LYS A 35 3.510 -13.591 -6.845 1.00 0.00 C ATOM 556 CG LYS A 35 3.646 -14.725 -5.828 1.00 0.00 C ATOM 557 CD LYS A 35 2.255 -15.176 -5.376 1.00 0.00 C ATOM 558 CE LYS A 35 2.245 -16.695 -5.195 1.00 0.00 C ATOM 559 NZ LYS A 35 0.912 -17.125 -4.684 1.00 0.00 N ATOM 0 H LYS A 35 4.213 -11.528 -5.566 1.00 0.00 H new ATOM 0 HA LYS A 35 5.664 -13.659 -6.944 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.780 -12.861 -6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.142 -13.981 -7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.185 -15.562 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.228 -14.390 -4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.989 -14.686 -4.440 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.508 -14.882 -6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.459 -17.187 -6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.028 -16.994 -4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.904 -18.158 -4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.726 -16.666 -3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.175 -16.852 -5.365 1.00 0.00 H new ATOM 573 N GLY A 36 5.021 -11.011 -8.543 1.00 0.00 N ATOM 574 CA GLY A 36 5.076 -10.354 -9.884 1.00 0.00 C ATOM 575 C GLY A 36 3.748 -9.649 -10.151 1.00 0.00 C ATOM 576 O GLY A 36 3.301 -9.549 -11.277 1.00 0.00 O ATOM 0 H GLY A 36 5.059 -10.373 -7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.896 -9.636 -9.918 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.270 -11.096 -10.658 1.00 0.00 H new ATOM 580 N ASP A 37 3.123 -9.153 -9.116 1.00 0.00 N ATOM 581 CA ASP A 37 1.826 -8.439 -9.277 1.00 0.00 C ATOM 582 C ASP A 37 1.893 -7.127 -8.500 1.00 0.00 C ATOM 583 O ASP A 37 1.081 -6.854 -7.638 1.00 0.00 O ATOM 584 CB ASP A 37 0.680 -9.303 -8.742 1.00 0.00 C ATOM 585 CG ASP A 37 0.278 -10.330 -9.801 1.00 0.00 C ATOM 586 OD1 ASP A 37 1.099 -11.174 -10.121 1.00 0.00 O ATOM 587 OD2 ASP A 37 -0.845 -10.256 -10.274 1.00 0.00 O ATOM 0 H ASP A 37 3.461 -9.214 -8.156 1.00 0.00 H new ATOM 0 HA ASP A 37 1.644 -8.238 -10.333 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.989 -9.810 -7.828 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.174 -8.676 -8.486 1.00 0.00 H new ATOM 592 N LYS A 38 2.861 -6.314 -8.810 1.00 0.00 N ATOM 593 CA LYS A 38 3.014 -5.006 -8.115 1.00 0.00 C ATOM 594 C LYS A 38 1.900 -4.069 -8.573 1.00 0.00 C ATOM 595 O LYS A 38 2.075 -2.872 -8.677 1.00 0.00 O ATOM 596 CB LYS A 38 4.380 -4.406 -8.461 1.00 0.00 C ATOM 597 CG LYS A 38 4.764 -4.813 -9.884 1.00 0.00 C ATOM 598 CD LYS A 38 5.839 -3.863 -10.417 1.00 0.00 C ATOM 599 CE LYS A 38 5.171 -2.660 -11.086 1.00 0.00 C ATOM 600 NZ LYS A 38 6.075 -1.479 -11.001 1.00 0.00 N ATOM 0 H LYS A 38 3.563 -6.502 -9.526 1.00 0.00 H new ATOM 0 HA LYS A 38 2.950 -5.144 -7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.345 -3.320 -8.378 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.133 -4.755 -7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.134 -5.838 -9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.887 -4.785 -10.530 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.481 -3.529 -9.602 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.476 -4.383 -11.132 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.949 -2.887 -12.129 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.221 -2.440 -10.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.621 -0.661 -11.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.265 -1.259 -10.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.970 -1.692 -11.485 1.00 0.00 H new ATOM 614 N MET A 39 0.752 -4.621 -8.846 1.00 0.00 N ATOM 615 CA MET A 39 -0.403 -3.795 -9.292 1.00 0.00 C ATOM 616 C MET A 39 -1.639 -4.182 -8.478 1.00 0.00 C ATOM 617 O MET A 39 -1.884 -5.345 -8.231 1.00 0.00 O ATOM 618 CB MET A 39 -0.650 -4.026 -10.779 1.00 0.00 C ATOM 619 CG MET A 39 0.435 -3.298 -11.569 1.00 0.00 C ATOM 620 SD MET A 39 0.925 -4.299 -12.996 1.00 0.00 S ATOM 621 CE MET A 39 1.680 -5.665 -12.078 1.00 0.00 C ATOM 0 H MET A 39 0.563 -5.621 -8.778 1.00 0.00 H new ATOM 0 HA MET A 39 -0.189 -2.738 -9.134 1.00 0.00 H new ATOM 0 HB2 MET A 39 -0.632 -5.092 -11.005 1.00 0.00 H new ATOM 0 HB3 MET A 39 -1.636 -3.657 -11.061 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.067 -2.328 -11.902 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.298 -3.109 -10.931 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.670 -5.872 -12.483 1.00 0.00 H new ATOM 0 HE2 MET A 39 1.768 -5.392 -11.026 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.056 -6.554 -12.171 1.00 0.00 H new ATOM 631 N CYS A 40 -2.406 -3.207 -8.047 1.00 0.00 N ATOM 632 CA CYS A 40 -3.626 -3.487 -7.228 1.00 0.00 C ATOM 633 C CYS A 40 -4.337 -4.747 -7.754 1.00 0.00 C ATOM 634 O CYS A 40 -5.009 -4.698 -8.762 1.00 0.00 O ATOM 635 CB CYS A 40 -4.579 -2.293 -7.330 1.00 0.00 C ATOM 636 SG CYS A 40 -4.793 -1.549 -5.694 1.00 0.00 S ATOM 0 H CYS A 40 -2.235 -2.218 -8.231 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.334 -3.648 -6.190 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.181 -1.556 -8.027 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.543 -2.616 -7.723 1.00 0.00 H new ATOM 641 N PRO A 41 -4.195 -5.875 -7.090 1.00 0.00 N ATOM 642 CA PRO A 41 -4.848 -7.139 -7.539 1.00 0.00 C ATOM 643 C PRO A 41 -6.344 -6.955 -7.816 1.00 0.00 C ATOM 644 O PRO A 41 -6.955 -7.754 -8.497 1.00 0.00 O ATOM 645 CB PRO A 41 -4.640 -8.102 -6.368 1.00 0.00 C ATOM 646 CG PRO A 41 -3.443 -7.592 -5.641 1.00 0.00 C ATOM 647 CD PRO A 41 -3.412 -6.081 -5.855 1.00 0.00 C ATOM 0 HA PRO A 41 -4.422 -7.497 -8.476 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.514 -8.124 -5.718 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.480 -9.121 -6.721 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.504 -7.832 -4.579 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.533 -8.056 -6.021 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.852 -5.550 -5.011 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.391 -5.715 -5.965 1.00 0.00 H new ATOM 655 N GLY A 42 -6.937 -5.916 -7.283 1.00 0.00 N ATOM 656 CA GLY A 42 -8.398 -5.689 -7.504 1.00 0.00 C ATOM 657 C GLY A 42 -8.624 -4.569 -8.525 1.00 0.00 C ATOM 658 O GLY A 42 -9.544 -4.630 -9.318 1.00 0.00 O ATOM 0 H GLY A 42 -6.473 -5.216 -6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.865 -6.609 -7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.878 -5.430 -6.560 1.00 0.00 H new ATOM 662 N CYS A 43 -7.810 -3.544 -8.505 1.00 0.00 N ATOM 663 CA CYS A 43 -7.997 -2.416 -9.464 1.00 0.00 C ATOM 664 C CYS A 43 -6.947 -2.482 -10.572 1.00 0.00 C ATOM 665 O CYS A 43 -7.193 -2.083 -11.692 1.00 0.00 O ATOM 666 CB CYS A 43 -7.861 -1.091 -8.714 1.00 0.00 C ATOM 667 SG CYS A 43 -8.680 -1.228 -7.108 1.00 0.00 S ATOM 0 H CYS A 43 -7.023 -3.441 -7.864 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.988 -2.490 -9.912 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.808 -0.843 -8.578 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.307 -0.283 -9.295 1.00 0.00 H new ATOM 672 N SER A 44 -5.778 -2.973 -10.267 1.00 0.00 N ATOM 673 CA SER A 44 -4.707 -3.058 -11.297 1.00 0.00 C ATOM 674 C SER A 44 -4.124 -1.660 -11.530 1.00 0.00 C ATOM 675 O SER A 44 -4.211 -1.106 -12.609 1.00 0.00 O ATOM 676 CB SER A 44 -5.283 -3.626 -12.601 1.00 0.00 C ATOM 677 OG SER A 44 -4.280 -4.386 -13.263 1.00 0.00 O ATOM 0 H SER A 44 -5.518 -3.320 -9.344 1.00 0.00 H new ATOM 0 HA SER A 44 -3.914 -3.723 -10.953 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.149 -4.252 -12.388 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.626 -2.816 -13.244 1.00 0.00 H new ATOM 0 HG SER A 44 -4.644 -4.752 -14.096 1.00 0.00 H new ATOM 683 N ASP A 45 -3.528 -1.090 -10.514 1.00 0.00 N ATOM 684 CA ASP A 45 -2.932 0.270 -10.641 1.00 0.00 C ATOM 685 C ASP A 45 -1.505 0.243 -10.088 1.00 0.00 C ATOM 686 O ASP A 45 -1.145 -0.639 -9.337 1.00 0.00 O ATOM 687 CB ASP A 45 -3.773 1.269 -9.841 1.00 0.00 C ATOM 688 CG ASP A 45 -4.561 2.161 -10.803 1.00 0.00 C ATOM 689 OD1 ASP A 45 -5.094 1.633 -11.766 1.00 0.00 O ATOM 690 OD2 ASP A 45 -4.618 3.354 -10.560 1.00 0.00 O ATOM 0 H ASP A 45 -3.429 -1.516 -9.592 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.914 0.570 -11.689 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.457 0.737 -9.179 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.128 1.879 -9.209 1.00 0.00 H new ATOM 695 N PRO A 46 -0.696 1.199 -10.458 1.00 0.00 N ATOM 696 CA PRO A 46 0.718 1.278 -9.993 1.00 0.00 C ATOM 697 C PRO A 46 0.833 1.239 -8.464 1.00 0.00 C ATOM 698 O PRO A 46 0.817 2.258 -7.802 1.00 0.00 O ATOM 699 CB PRO A 46 1.229 2.620 -10.540 1.00 0.00 C ATOM 700 CG PRO A 46 0.025 3.360 -11.030 1.00 0.00 C ATOM 701 CD PRO A 46 -1.034 2.310 -11.355 1.00 0.00 C ATOM 0 HA PRO A 46 1.298 0.425 -10.346 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.744 3.186 -9.763 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.944 2.464 -11.347 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.338 4.054 -10.272 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.267 3.951 -11.913 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.041 2.684 -11.170 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.993 2.008 -12.402 1.00 0.00 H new ATOM 709 N VAL A 47 0.960 0.067 -7.899 1.00 0.00 N ATOM 710 CA VAL A 47 1.091 -0.036 -6.419 1.00 0.00 C ATOM 711 C VAL A 47 2.346 0.727 -5.983 1.00 0.00 C ATOM 712 O VAL A 47 3.440 0.200 -6.000 1.00 0.00 O ATOM 713 CB VAL A 47 1.216 -1.507 -6.032 1.00 0.00 C ATOM 714 CG1 VAL A 47 1.435 -1.631 -4.528 1.00 0.00 C ATOM 715 CG2 VAL A 47 -0.076 -2.228 -6.416 1.00 0.00 C ATOM 0 H VAL A 47 0.978 -0.822 -8.399 1.00 0.00 H new ATOM 0 HA VAL A 47 0.216 0.391 -5.929 1.00 0.00 H new ATOM 0 HB VAL A 47 2.064 -1.952 -6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.523 -2.684 -4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.349 -1.107 -4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.589 -1.191 -4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.000 -3.281 -6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.915 -1.777 -5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.236 -2.141 -7.491 1.00 0.00 H new ATOM 725 N GLN A 48 2.198 1.965 -5.597 1.00 0.00 N ATOM 726 CA GLN A 48 3.382 2.755 -5.168 1.00 0.00 C ATOM 727 C GLN A 48 4.000 2.083 -3.953 1.00 0.00 C ATOM 728 O GLN A 48 5.123 1.622 -3.991 1.00 0.00 O ATOM 729 CB GLN A 48 2.953 4.181 -4.809 1.00 0.00 C ATOM 730 CG GLN A 48 4.098 4.895 -4.091 1.00 0.00 C ATOM 731 CD GLN A 48 4.107 6.373 -4.489 1.00 0.00 C ATOM 732 OE1 GLN A 48 4.714 6.746 -5.471 1.00 0.00 O ATOM 733 NE2 GLN A 48 3.452 7.235 -3.759 1.00 0.00 N ATOM 0 H GLN A 48 1.308 2.462 -5.561 1.00 0.00 H new ATOM 0 HA GLN A 48 4.110 2.801 -5.978 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.679 4.727 -5.712 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.069 4.156 -4.171 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.981 4.799 -3.012 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.050 4.432 -4.351 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.942 6.921 -2.934 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.450 8.223 -4.014 1.00 0.00 H new ATOM 742 N ARG A 49 3.270 2.010 -2.880 1.00 0.00 N ATOM 743 CA ARG A 49 3.816 1.346 -1.670 1.00 0.00 C ATOM 744 C ARG A 49 2.673 0.699 -0.891 1.00 0.00 C ATOM 745 O ARG A 49 1.610 1.256 -0.755 1.00 0.00 O ATOM 746 CB ARG A 49 4.563 2.385 -0.810 1.00 0.00 C ATOM 747 CG ARG A 49 4.058 2.380 0.640 1.00 0.00 C ATOM 748 CD ARG A 49 4.894 3.361 1.465 1.00 0.00 C ATOM 749 NE ARG A 49 5.871 2.605 2.299 1.00 0.00 N ATOM 750 CZ ARG A 49 6.837 3.238 2.906 1.00 0.00 C ATOM 751 NH1 ARG A 49 6.947 4.532 2.783 1.00 0.00 N ATOM 752 NH2 ARG A 49 7.692 2.576 3.637 1.00 0.00 N ATOM 0 H ARG A 49 2.324 2.379 -2.788 1.00 0.00 H new ATOM 0 HA ARG A 49 4.523 0.566 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.632 2.171 -0.825 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.430 3.378 -1.240 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.006 2.663 0.673 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.132 1.377 1.060 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.420 4.051 0.805 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.245 3.962 2.102 1.00 0.00 H new ATOM 0 HE ARG A 49 5.784 1.593 2.395 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.278 5.049 2.212 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.702 5.027 3.257 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.605 1.564 3.733 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.447 3.070 4.112 1.00 0.00 H new ATOM 766 N ILE A 50 2.879 -0.478 -0.378 1.00 0.00 N ATOM 767 CA ILE A 50 1.794 -1.147 0.382 1.00 0.00 C ATOM 768 C ILE A 50 1.994 -0.925 1.867 1.00 0.00 C ATOM 769 O ILE A 50 3.104 -0.914 2.363 1.00 0.00 O ATOM 770 CB ILE A 50 1.818 -2.645 0.123 1.00 0.00 C ATOM 771 CG1 ILE A 50 2.257 -2.891 -1.312 1.00 0.00 C ATOM 772 CG2 ILE A 50 0.425 -3.232 0.352 1.00 0.00 C ATOM 773 CD1 ILE A 50 2.112 -4.374 -1.654 1.00 0.00 C ATOM 0 H ILE A 50 3.750 -1.004 -0.452 1.00 0.00 H new ATOM 0 HA ILE A 50 0.842 -0.727 0.059 1.00 0.00 H new ATOM 0 HB ILE A 50 2.517 -3.127 0.806 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.654 -2.291 -1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.293 -2.578 -1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.447 -4.306 0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.118 -3.049 1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.285 -2.760 -0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.428 -4.543 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.734 -4.965 -0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.070 -4.673 -1.541 1.00 0.00 H new ATOM 785 N GLU A 51 0.922 -0.754 2.571 1.00 0.00 N ATOM 786 CA GLU A 51 1.020 -0.536 4.040 1.00 0.00 C ATOM 787 C GLU A 51 -0.041 -1.357 4.761 1.00 0.00 C ATOM 788 O GLU A 51 -1.158 -1.497 4.308 1.00 0.00 O ATOM 789 CB GLU A 51 0.834 0.945 4.353 1.00 0.00 C ATOM 790 CG GLU A 51 1.786 1.741 3.472 1.00 0.00 C ATOM 791 CD GLU A 51 1.676 3.230 3.805 1.00 0.00 C ATOM 792 OE1 GLU A 51 1.218 3.540 4.894 1.00 0.00 O ATOM 793 OE2 GLU A 51 2.049 4.034 2.968 1.00 0.00 O ATOM 0 H GLU A 51 -0.026 -0.755 2.195 1.00 0.00 H new ATOM 0 HA GLU A 51 2.004 -0.854 4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.197 1.246 4.167 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.038 1.139 5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.810 1.399 3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.548 1.575 2.421 1.00 0.00 H new ATOM 800 N GLN A 52 0.318 -1.907 5.881 1.00 0.00 N ATOM 801 CA GLN A 52 -0.646 -2.735 6.654 1.00 0.00 C ATOM 802 C GLN A 52 -1.490 -1.835 7.555 1.00 0.00 C ATOM 803 O GLN A 52 -1.042 -0.804 8.016 1.00 0.00 O ATOM 804 CB GLN A 52 0.122 -3.740 7.515 1.00 0.00 C ATOM 805 CG GLN A 52 0.622 -3.049 8.785 1.00 0.00 C ATOM 806 CD GLN A 52 1.780 -3.853 9.381 1.00 0.00 C ATOM 807 OE1 GLN A 52 2.928 -3.485 9.235 1.00 0.00 O ATOM 808 NE2 GLN A 52 1.524 -4.944 10.051 1.00 0.00 N ATOM 0 H GLN A 52 1.244 -1.819 6.299 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.299 -3.269 5.963 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.523 -4.579 7.775 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.964 -4.147 6.954 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.949 -2.035 8.555 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.188 -2.966 9.510 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.560 -5.253 10.173 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.288 -5.487 10.452 1.00 0.00 H new ATOM 817 N CYS A 53 -2.710 -2.220 7.814 1.00 0.00 N ATOM 818 CA CYS A 53 -3.584 -1.393 8.688 1.00 0.00 C ATOM 819 C CYS A 53 -4.501 -2.309 9.503 1.00 0.00 C ATOM 820 O CYS A 53 -4.631 -3.483 9.218 1.00 0.00 O ATOM 821 CB CYS A 53 -4.431 -0.455 7.826 1.00 0.00 C ATOM 822 SG CYS A 53 -3.757 1.222 7.924 1.00 0.00 S ATOM 0 H CYS A 53 -3.138 -3.074 7.456 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.967 -0.802 9.364 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.434 -0.798 6.791 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.466 -0.464 8.168 1.00 0.00 H new ATOM 0 HG CYS A 53 -4.318 1.858 8.909 1.00 0.00 H new ATOM 827 N THR A 54 -5.132 -1.785 10.517 1.00 0.00 N ATOM 828 CA THR A 54 -6.034 -2.629 11.348 1.00 0.00 C ATOM 829 C THR A 54 -7.455 -2.582 10.781 1.00 0.00 C ATOM 830 O THR A 54 -7.764 -1.787 9.916 1.00 0.00 O ATOM 831 CB THR A 54 -6.041 -2.105 12.786 1.00 0.00 C ATOM 832 OG1 THR A 54 -5.102 -1.045 12.906 1.00 0.00 O ATOM 833 CG2 THR A 54 -5.665 -3.234 13.745 1.00 0.00 C ATOM 0 H THR A 54 -5.062 -0.809 10.806 1.00 0.00 H new ATOM 0 HA THR A 54 -5.676 -3.658 11.336 1.00 0.00 H new ATOM 0 HB THR A 54 -7.037 -1.739 13.035 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.106 -0.707 13.826 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.670 -2.859 14.768 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.386 -4.046 13.652 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.669 -3.604 13.499 1.00 0.00 H new ATOM 841 N ARG A 55 -8.322 -3.426 11.269 1.00 0.00 N ATOM 842 CA ARG A 55 -9.722 -3.435 10.773 1.00 0.00 C ATOM 843 C ARG A 55 -10.545 -2.488 11.626 1.00 0.00 C ATOM 844 O ARG A 55 -11.329 -2.883 12.466 1.00 0.00 O ATOM 845 CB ARG A 55 -10.298 -4.853 10.851 1.00 0.00 C ATOM 846 CG ARG A 55 -11.693 -4.884 10.217 1.00 0.00 C ATOM 847 CD ARG A 55 -12.339 -6.249 10.467 1.00 0.00 C ATOM 848 NE ARG A 55 -11.280 -7.263 10.734 1.00 0.00 N ATOM 849 CZ ARG A 55 -10.676 -7.859 9.741 1.00 0.00 C ATOM 850 NH1 ARG A 55 -10.985 -7.556 8.509 1.00 0.00 N ATOM 851 NH2 ARG A 55 -9.757 -8.754 9.981 1.00 0.00 N ATOM 0 H ARG A 55 -8.117 -4.113 11.994 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.749 -3.111 9.733 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.639 -5.552 10.336 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.354 -5.176 11.891 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.313 -4.094 10.640 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.621 -4.695 9.146 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.021 -6.190 11.315 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.931 -6.546 9.601 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.026 -7.492 11.695 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.699 -6.853 8.321 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.512 -8.023 7.735 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.511 -8.987 10.943 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.285 -9.220 9.207 1.00 0.00 H new ATOM 865 N GLY A 56 -10.353 -1.235 11.398 1.00 0.00 N ATOM 866 CA GLY A 56 -11.092 -0.195 12.161 1.00 0.00 C ATOM 867 C GLY A 56 -10.280 1.102 12.170 1.00 0.00 C ATOM 868 O GLY A 56 -10.650 2.070 12.805 1.00 0.00 O ATOM 0 H GLY A 56 -9.703 -0.871 10.702 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.069 -0.022 11.709 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.268 -0.534 13.182 1.00 0.00 H new ATOM 872 N SER A 57 -9.173 1.134 11.473 1.00 0.00 N ATOM 873 CA SER A 57 -8.347 2.370 11.455 1.00 0.00 C ATOM 874 C SER A 57 -8.794 3.267 10.300 1.00 0.00 C ATOM 875 O SER A 57 -8.768 4.477 10.398 1.00 0.00 O ATOM 876 CB SER A 57 -6.874 2.000 11.277 1.00 0.00 C ATOM 877 OG SER A 57 -6.369 1.485 12.501 1.00 0.00 O ATOM 0 H SER A 57 -8.810 0.359 10.919 1.00 0.00 H new ATOM 0 HA SER A 57 -8.473 2.903 12.397 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.766 1.259 10.485 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.301 2.876 10.974 1.00 0.00 H new ATOM 0 HG SER A 57 -5.975 0.601 12.346 1.00 0.00 H new ATOM 883 N LEU A 58 -9.209 2.678 9.209 1.00 0.00 N ATOM 884 CA LEU A 58 -9.664 3.488 8.042 1.00 0.00 C ATOM 885 C LEU A 58 -11.192 3.543 8.017 1.00 0.00 C ATOM 886 O LEU A 58 -11.855 2.894 8.802 1.00 0.00 O ATOM 887 CB LEU A 58 -9.162 2.866 6.738 1.00 0.00 C ATOM 888 CG LEU A 58 -7.899 2.045 6.991 1.00 0.00 C ATOM 889 CD1 LEU A 58 -7.366 1.522 5.657 1.00 0.00 C ATOM 890 CD2 LEU A 58 -6.839 2.930 7.643 1.00 0.00 C ATOM 0 H LEU A 58 -9.252 1.668 9.076 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.260 4.496 8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.937 2.230 6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.954 3.650 6.010 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.132 1.209 7.650 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.464 0.935 5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.122 0.895 5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.132 2.363 5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.937 2.345 7.824 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.604 3.764 6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.218 3.314 8.590 1.00 0.00 H new ATOM 902 N PHE A 59 -11.751 4.320 7.122 1.00 0.00 N ATOM 903 CA PHE A 59 -13.238 4.430 7.039 1.00 0.00 C ATOM 904 C PHE A 59 -13.677 4.340 5.574 1.00 0.00 C ATOM 905 O PHE A 59 -13.170 5.042 4.722 1.00 0.00 O ATOM 906 CB PHE A 59 -13.681 5.771 7.630 1.00 0.00 C ATOM 907 CG PHE A 59 -13.138 5.903 9.034 1.00 0.00 C ATOM 908 CD1 PHE A 59 -11.854 6.420 9.242 1.00 0.00 C ATOM 909 CD2 PHE A 59 -13.920 5.508 10.126 1.00 0.00 C ATOM 910 CE1 PHE A 59 -11.351 6.544 10.542 1.00 0.00 C ATOM 911 CE2 PHE A 59 -13.416 5.630 11.427 1.00 0.00 C ATOM 912 CZ PHE A 59 -12.133 6.148 11.636 1.00 0.00 C ATOM 0 H PHE A 59 -11.239 4.884 6.444 1.00 0.00 H new ATOM 0 HA PHE A 59 -13.697 3.617 7.602 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.320 6.592 7.010 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -14.769 5.835 7.641 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -11.251 6.723 8.399 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -14.911 5.110 9.965 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.361 6.945 10.702 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -14.018 5.324 12.270 1.00 0.00 H new ATOM 0 HZ PHE A 59 -11.745 6.243 12.640 1.00 0.00 H new ATOM 922 N MET A 60 -14.612 3.472 5.279 1.00 0.00 N ATOM 923 CA MET A 60 -15.083 3.312 3.869 1.00 0.00 C ATOM 924 C MET A 60 -16.412 4.044 3.659 1.00 0.00 C ATOM 925 O MET A 60 -17.255 4.096 4.532 1.00 0.00 O ATOM 926 CB MET A 60 -15.275 1.824 3.561 1.00 0.00 C ATOM 927 CG MET A 60 -15.012 0.997 4.822 1.00 0.00 C ATOM 928 SD MET A 60 -15.268 -0.757 4.456 1.00 0.00 S ATOM 929 CE MET A 60 -13.926 -1.400 5.486 1.00 0.00 C ATOM 0 H MET A 60 -15.071 2.864 5.957 1.00 0.00 H new ATOM 0 HA MET A 60 -14.335 3.739 3.201 1.00 0.00 H new ATOM 0 HB2 MET A 60 -16.289 1.645 3.202 1.00 0.00 H new ATOM 0 HB3 MET A 60 -14.596 1.517 2.765 1.00 0.00 H new ATOM 0 HG2 MET A 60 -13.993 1.162 5.172 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.679 1.314 5.623 1.00 0.00 H new ATOM 0 HE1 MET A 60 -13.898 -2.487 5.410 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.976 -0.988 5.145 1.00 0.00 H new ATOM 0 HE3 MET A 60 -14.094 -1.113 6.524 1.00 0.00 H new ATOM 939 N CYS A 61 -16.598 4.603 2.493 1.00 0.00 N ATOM 940 CA CYS A 61 -17.865 5.331 2.197 1.00 0.00 C ATOM 941 C CYS A 61 -19.035 4.344 2.220 1.00 0.00 C ATOM 942 O CYS A 61 -19.150 3.482 1.372 1.00 0.00 O ATOM 943 CB CYS A 61 -17.757 5.980 0.814 1.00 0.00 C ATOM 944 SG CYS A 61 -19.379 5.992 0.006 1.00 0.00 S ATOM 0 H CYS A 61 -15.922 4.586 1.729 1.00 0.00 H new ATOM 0 HA CYS A 61 -18.035 6.103 2.947 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.382 6.999 0.910 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -17.041 5.433 0.201 1.00 0.00 H new ATOM 949 N SER A 62 -19.898 4.461 3.192 1.00 0.00 N ATOM 950 CA SER A 62 -21.060 3.530 3.284 1.00 0.00 C ATOM 951 C SER A 62 -21.714 3.373 1.911 1.00 0.00 C ATOM 952 O SER A 62 -21.706 2.308 1.327 1.00 0.00 O ATOM 953 CB SER A 62 -22.083 4.089 4.273 1.00 0.00 C ATOM 954 OG SER A 62 -21.931 3.434 5.525 1.00 0.00 O ATOM 0 H SER A 62 -19.849 5.164 3.930 1.00 0.00 H new ATOM 0 HA SER A 62 -20.711 2.556 3.627 1.00 0.00 H new ATOM 0 HB2 SER A 62 -21.942 5.163 4.392 1.00 0.00 H new ATOM 0 HB3 SER A 62 -23.093 3.940 3.892 1.00 0.00 H new ATOM 0 HG SER A 62 -22.584 3.791 6.162 1.00 0.00 H new ATOM 960 N ILE A 63 -22.286 4.427 1.400 1.00 0.00 N ATOM 961 CA ILE A 63 -22.951 4.351 0.067 1.00 0.00 C ATOM 962 C ILE A 63 -22.049 3.596 -0.912 1.00 0.00 C ATOM 963 O ILE A 63 -21.181 4.169 -1.540 1.00 0.00 O ATOM 964 CB ILE A 63 -23.209 5.769 -0.454 1.00 0.00 C ATOM 965 CG1 ILE A 63 -24.003 6.563 0.588 1.00 0.00 C ATOM 966 CG2 ILE A 63 -24.014 5.707 -1.754 1.00 0.00 C ATOM 967 CD1 ILE A 63 -23.296 7.890 0.867 1.00 0.00 C ATOM 0 H ILE A 63 -22.322 5.342 1.849 1.00 0.00 H new ATOM 0 HA ILE A 63 -23.900 3.823 0.161 1.00 0.00 H new ATOM 0 HB ILE A 63 -22.253 6.258 -0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -25.015 6.747 0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.093 5.986 1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -24.194 6.718 -2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -23.454 5.145 -2.502 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -24.968 5.213 -1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.861 8.455 1.608 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -22.293 7.695 1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -23.229 8.467 -0.055 1.00 0.00 H new ATOM 979 N VAL A 64 -22.250 2.313 -1.047 1.00 0.00 N ATOM 980 CA VAL A 64 -21.405 1.519 -1.982 1.00 0.00 C ATOM 981 C VAL A 64 -21.630 2.013 -3.416 1.00 0.00 C ATOM 982 O VAL A 64 -21.402 3.167 -3.724 1.00 0.00 O ATOM 983 CB VAL A 64 -21.779 0.034 -1.863 1.00 0.00 C ATOM 984 CG1 VAL A 64 -23.253 -0.168 -2.226 1.00 0.00 C ATOM 985 CG2 VAL A 64 -20.901 -0.801 -2.802 1.00 0.00 C ATOM 0 H VAL A 64 -22.964 1.781 -0.549 1.00 0.00 H new ATOM 0 HA VAL A 64 -20.352 1.642 -1.729 1.00 0.00 H new ATOM 0 HB VAL A 64 -21.617 -0.288 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -23.508 -1.224 -2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -23.878 0.413 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -23.424 0.163 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -21.171 -1.853 -2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -21.054 -0.473 -3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -19.853 -0.671 -2.531 1.00 0.00 H new ATOM 995 N GLN A 65 -22.071 1.155 -4.294 1.00 0.00 N ATOM 996 CA GLN A 65 -22.303 1.585 -5.701 1.00 0.00 C ATOM 997 C GLN A 65 -20.996 2.122 -6.287 1.00 0.00 C ATOM 998 O GLN A 65 -20.906 3.268 -6.682 1.00 0.00 O ATOM 999 CB GLN A 65 -23.366 2.684 -5.731 1.00 0.00 C ATOM 1000 CG GLN A 65 -23.985 2.759 -7.128 1.00 0.00 C ATOM 1001 CD GLN A 65 -24.643 4.127 -7.323 1.00 0.00 C ATOM 1002 OE1 GLN A 65 -24.068 5.009 -7.930 1.00 0.00 O ATOM 1003 NE2 GLN A 65 -25.832 4.343 -6.831 1.00 0.00 N ATOM 0 H GLN A 65 -22.280 0.176 -4.098 1.00 0.00 H new ATOM 0 HA GLN A 65 -22.646 0.735 -6.291 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -24.138 2.477 -4.990 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -22.920 3.643 -5.468 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -23.218 2.601 -7.886 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -24.724 1.967 -7.253 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -26.315 3.603 -6.321 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -26.278 5.252 -6.956 1.00 0.00 H new ATOM 1012 N GLY A 66 -19.979 1.307 -6.340 1.00 0.00 N ATOM 1013 CA GLY A 66 -18.677 1.774 -6.894 1.00 0.00 C ATOM 1014 C GLY A 66 -18.031 2.750 -5.911 1.00 0.00 C ATOM 1015 O GLY A 66 -17.636 3.841 -6.272 1.00 0.00 O ATOM 0 H GLY A 66 -19.993 0.337 -6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -18.017 0.924 -7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.832 2.259 -7.858 1.00 0.00 H new ATOM 1019 N CYS A 67 -17.925 2.368 -4.666 1.00 0.00 N ATOM 1020 CA CYS A 67 -17.309 3.275 -3.658 1.00 0.00 C ATOM 1021 C CYS A 67 -16.559 2.445 -2.614 1.00 0.00 C ATOM 1022 O CYS A 67 -15.549 1.833 -2.901 1.00 0.00 O ATOM 1023 CB CYS A 67 -18.408 4.083 -2.967 1.00 0.00 C ATOM 1024 SG CYS A 67 -18.956 5.421 -4.057 1.00 0.00 S ATOM 0 H CYS A 67 -18.239 1.467 -4.305 1.00 0.00 H new ATOM 0 HA CYS A 67 -16.612 3.951 -4.154 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -19.249 3.435 -2.719 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -18.036 4.494 -2.029 1.00 0.00 H new ATOM 1029 N LYS A 68 -17.046 2.419 -1.403 1.00 0.00 N ATOM 1030 CA LYS A 68 -16.363 1.632 -0.340 1.00 0.00 C ATOM 1031 C LYS A 68 -14.867 1.951 -0.350 1.00 0.00 C ATOM 1032 O LYS A 68 -14.036 1.073 -0.225 1.00 0.00 O ATOM 1033 CB LYS A 68 -16.567 0.138 -0.607 1.00 0.00 C ATOM 1034 CG LYS A 68 -16.303 -0.651 0.677 1.00 0.00 C ATOM 1035 CD LYS A 68 -16.165 -2.139 0.343 1.00 0.00 C ATOM 1036 CE LYS A 68 -14.692 -2.545 0.421 1.00 0.00 C ATOM 1037 NZ LYS A 68 -14.193 -2.336 1.810 1.00 0.00 N ATOM 0 H LYS A 68 -17.889 2.910 -1.105 1.00 0.00 H new ATOM 0 HA LYS A 68 -16.782 1.891 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.583 -0.044 -0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.894 -0.196 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.394 -0.290 1.158 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -17.119 -0.500 1.383 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.755 -2.735 1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.555 -2.336 -0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.576 -3.590 0.135 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.103 -1.955 -0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.314 -1.780 1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.910 -1.824 2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.006 -3.258 2.254 1.00 0.00 H new ATOM 1051 N ARG A 69 -14.513 3.200 -0.502 1.00 0.00 N ATOM 1052 CA ARG A 69 -13.069 3.561 -0.521 1.00 0.00 C ATOM 1053 C ARG A 69 -12.604 3.910 0.894 1.00 0.00 C ATOM 1054 O ARG A 69 -13.012 4.902 1.465 1.00 0.00 O ATOM 1055 CB ARG A 69 -12.856 4.769 -1.438 1.00 0.00 C ATOM 1056 CG ARG A 69 -12.935 4.326 -2.901 1.00 0.00 C ATOM 1057 CD ARG A 69 -12.581 5.504 -3.811 1.00 0.00 C ATOM 1058 NE ARG A 69 -11.100 5.663 -3.860 1.00 0.00 N ATOM 1059 CZ ARG A 69 -10.575 6.714 -4.429 1.00 0.00 C ATOM 1060 NH1 ARG A 69 -11.347 7.626 -4.954 1.00 0.00 N ATOM 1061 NH2 ARG A 69 -9.278 6.852 -4.474 1.00 0.00 N ATOM 0 H ARG A 69 -15.160 3.981 -0.613 1.00 0.00 H new ATOM 0 HA ARG A 69 -12.492 2.714 -0.892 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.612 5.528 -1.237 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -11.886 5.224 -1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -12.250 3.497 -3.078 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.938 3.965 -3.129 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -12.973 5.334 -4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.044 6.418 -3.438 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.497 4.951 -3.449 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -12.361 7.518 -4.920 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.937 8.447 -5.399 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.675 6.139 -4.065 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.868 7.673 -4.919 1.00 0.00 H new ATOM 1075 N THR A 70 -11.748 3.103 1.467 1.00 0.00 N ATOM 1076 CA THR A 70 -11.258 3.398 2.844 1.00 0.00 C ATOM 1077 C THR A 70 -10.640 4.796 2.870 1.00 0.00 C ATOM 1078 O THR A 70 -10.436 5.411 1.842 1.00 0.00 O ATOM 1079 CB THR A 70 -10.201 2.373 3.249 1.00 0.00 C ATOM 1080 OG1 THR A 70 -9.432 2.009 2.111 1.00 0.00 O ATOM 1081 CG2 THR A 70 -10.882 1.131 3.827 1.00 0.00 C ATOM 0 H THR A 70 -11.369 2.257 1.042 1.00 0.00 H new ATOM 0 HA THR A 70 -12.094 3.349 3.542 1.00 0.00 H new ATOM 0 HB THR A 70 -9.547 2.808 4.004 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.820 1.211 1.695 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.125 0.402 4.115 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.467 1.411 4.703 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.540 0.694 3.076 1.00 0.00 H new ATOM 1089 N TYR A 71 -10.337 5.306 4.032 1.00 0.00 N ATOM 1090 CA TYR A 71 -9.735 6.658 4.109 1.00 0.00 C ATOM 1091 C TYR A 71 -8.990 6.809 5.431 1.00 0.00 C ATOM 1092 O TYR A 71 -9.089 5.975 6.308 1.00 0.00 O ATOM 1093 CB TYR A 71 -10.838 7.700 4.021 1.00 0.00 C ATOM 1094 CG TYR A 71 -11.231 7.880 2.576 1.00 0.00 C ATOM 1095 CD1 TYR A 71 -10.364 8.535 1.694 1.00 0.00 C ATOM 1096 CD2 TYR A 71 -12.456 7.383 2.115 1.00 0.00 C ATOM 1097 CE1 TYR A 71 -10.724 8.697 0.352 1.00 0.00 C ATOM 1098 CE2 TYR A 71 -12.814 7.543 0.773 1.00 0.00 C ATOM 1099 CZ TYR A 71 -11.948 8.201 -0.110 1.00 0.00 C ATOM 1100 OH TYR A 71 -12.302 8.360 -1.434 1.00 0.00 O ATOM 0 H TYR A 71 -10.482 4.842 4.929 1.00 0.00 H new ATOM 0 HA TYR A 71 -9.035 6.797 3.285 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.700 7.386 4.609 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.495 8.647 4.439 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.418 8.915 2.049 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -13.124 6.876 2.796 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.057 9.205 -0.328 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -13.759 7.159 0.417 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.202 8.000 -1.577 1.00 0.00 H new ATOM 1110 N LEU A 72 -8.238 7.864 5.570 1.00 0.00 N ATOM 1111 CA LEU A 72 -7.464 8.081 6.824 1.00 0.00 C ATOM 1112 C LEU A 72 -8.090 9.217 7.625 1.00 0.00 C ATOM 1113 O LEU A 72 -7.682 9.502 8.734 1.00 0.00 O ATOM 1114 CB LEU A 72 -6.014 8.447 6.483 1.00 0.00 C ATOM 1115 CG LEU A 72 -5.755 8.235 4.989 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -4.308 8.612 4.667 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -5.983 6.763 4.633 1.00 0.00 C ATOM 0 H LEU A 72 -8.125 8.591 4.863 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.480 7.164 7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.821 9.486 6.750 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.329 7.835 7.069 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.436 8.860 4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.121 8.462 3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.140 9.659 4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.631 7.985 5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.798 6.613 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.301 6.139 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.012 6.488 4.865 1.00 0.00 H new ATOM 1129 N SER A 73 -9.075 9.874 7.082 1.00 0.00 N ATOM 1130 CA SER A 73 -9.705 10.991 7.834 1.00 0.00 C ATOM 1131 C SER A 73 -11.107 11.253 7.291 1.00 0.00 C ATOM 1132 O SER A 73 -11.304 11.391 6.101 1.00 0.00 O ATOM 1133 CB SER A 73 -8.857 12.253 7.679 1.00 0.00 C ATOM 1134 OG SER A 73 -9.087 13.114 8.786 1.00 0.00 O ATOM 0 H SER A 73 -9.468 9.688 6.159 1.00 0.00 H new ATOM 0 HA SER A 73 -9.771 10.722 8.888 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.801 11.990 7.622 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.110 12.762 6.749 1.00 0.00 H new ATOM 0 HG SER A 73 -8.543 13.923 8.690 1.00 0.00 H new ATOM 1140 N GLN A 74 -12.081 11.313 8.162 1.00 0.00 N ATOM 1141 CA GLN A 74 -13.479 11.563 7.712 1.00 0.00 C ATOM 1142 C GLN A 74 -13.481 12.652 6.638 1.00 0.00 C ATOM 1143 O GLN A 74 -14.361 12.716 5.807 1.00 0.00 O ATOM 1144 CB GLN A 74 -14.322 12.024 8.905 1.00 0.00 C ATOM 1145 CG GLN A 74 -15.779 11.608 8.692 1.00 0.00 C ATOM 1146 CD GLN A 74 -15.972 10.166 9.165 1.00 0.00 C ATOM 1147 OE1 GLN A 74 -15.577 9.184 8.403 1.00 0.00 O flip ATOM 1148 NE2 GLN A 74 -16.489 9.931 10.239 1.00 0.00 N flip ATOM 0 H GLN A 74 -11.966 11.199 9.169 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.899 10.645 7.301 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.938 11.585 9.826 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.254 13.106 9.015 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.443 12.275 9.243 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -16.043 11.695 7.638 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -16.798 10.699 10.835 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.614 8.966 10.545 1.00 0.00 H new ATOM 1157 N ARG A 75 -12.501 13.510 6.655 1.00 0.00 N ATOM 1158 CA ARG A 75 -12.439 14.604 5.645 1.00 0.00 C ATOM 1159 C ARG A 75 -12.264 14.026 4.238 1.00 0.00 C ATOM 1160 O ARG A 75 -12.781 14.557 3.273 1.00 0.00 O ATOM 1161 CB ARG A 75 -11.253 15.513 5.967 1.00 0.00 C ATOM 1162 CG ARG A 75 -11.106 16.573 4.874 1.00 0.00 C ATOM 1163 CD ARG A 75 -9.924 16.219 3.971 1.00 0.00 C ATOM 1164 NE ARG A 75 -9.958 17.074 2.751 1.00 0.00 N ATOM 1165 CZ ARG A 75 -8.923 17.121 1.957 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -7.858 16.417 2.230 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -8.953 17.872 0.889 1.00 0.00 N ATOM 0 H ARG A 75 -11.735 13.501 7.329 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.369 15.171 5.678 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.402 15.992 6.935 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.339 14.923 6.041 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.021 16.632 4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.952 17.554 5.323 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.986 16.368 4.506 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.968 15.166 3.692 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.791 17.623 2.536 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.835 15.830 3.064 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.049 16.454 1.609 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.785 18.422 0.675 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.144 17.909 0.269 1.00 0.00 H new ATOM 1181 N ASP A 76 -11.544 12.949 4.103 1.00 0.00 N ATOM 1182 CA ASP A 76 -11.349 12.366 2.749 1.00 0.00 C ATOM 1183 C ASP A 76 -12.554 11.497 2.422 1.00 0.00 C ATOM 1184 O ASP A 76 -13.029 11.456 1.303 1.00 0.00 O ATOM 1185 CB ASP A 76 -10.071 11.528 2.722 1.00 0.00 C ATOM 1186 CG ASP A 76 -8.888 12.389 3.169 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -8.687 13.438 2.579 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -8.202 11.984 4.093 1.00 0.00 O ATOM 0 H ASP A 76 -11.085 12.451 4.866 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.254 13.160 2.009 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.175 10.665 3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.896 11.144 1.717 1.00 0.00 H new ATOM 1193 N LEU A 77 -13.074 10.826 3.405 1.00 0.00 N ATOM 1194 CA LEU A 77 -14.266 9.990 3.180 1.00 0.00 C ATOM 1195 C LEU A 77 -15.440 10.923 2.993 1.00 0.00 C ATOM 1196 O LEU A 77 -16.342 10.659 2.233 1.00 0.00 O ATOM 1197 CB LEU A 77 -14.503 9.114 4.402 1.00 0.00 C ATOM 1198 CG LEU A 77 -15.852 8.414 4.285 1.00 0.00 C ATOM 1199 CD1 LEU A 77 -15.688 6.951 4.691 1.00 0.00 C ATOM 1200 CD2 LEU A 77 -16.854 9.101 5.214 1.00 0.00 C ATOM 0 H LEU A 77 -12.717 10.824 4.361 1.00 0.00 H new ATOM 0 HA LEU A 77 -14.136 9.350 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.707 8.375 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.476 9.722 5.307 1.00 0.00 H new ATOM 0 HG LEU A 77 -16.216 8.468 3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.648 6.441 4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.965 6.469 4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.333 6.897 5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.822 8.606 5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.498 9.040 6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.958 10.147 4.927 1.00 0.00 H new ATOM 1212 N GLN A 78 -15.423 12.038 3.660 1.00 0.00 N ATOM 1213 CA GLN A 78 -16.538 12.989 3.476 1.00 0.00 C ATOM 1214 C GLN A 78 -16.389 13.549 2.080 1.00 0.00 C ATOM 1215 O GLN A 78 -17.352 13.822 1.381 1.00 0.00 O ATOM 1216 CB GLN A 78 -16.472 14.115 4.511 1.00 0.00 C ATOM 1217 CG GLN A 78 -17.703 15.014 4.365 1.00 0.00 C ATOM 1218 CD GLN A 78 -18.956 14.234 4.768 1.00 0.00 C ATOM 1219 OE1 GLN A 78 -19.355 14.255 5.916 1.00 0.00 O ATOM 1220 NE2 GLN A 78 -19.603 13.539 3.869 1.00 0.00 N ATOM 0 H GLN A 78 -14.696 12.326 4.314 1.00 0.00 H new ATOM 0 HA GLN A 78 -17.500 12.493 3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -16.431 13.697 5.517 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -15.563 14.700 4.371 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -17.596 15.900 4.991 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -17.793 15.361 3.336 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -19.272 13.519 2.905 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -20.439 13.017 4.132 1.00 0.00 H new ATOM 1229 N ALA A 79 -15.169 13.681 1.657 1.00 0.00 N ATOM 1230 CA ALA A 79 -14.916 14.182 0.295 1.00 0.00 C ATOM 1231 C ALA A 79 -15.288 13.076 -0.682 1.00 0.00 C ATOM 1232 O ALA A 79 -15.516 13.319 -1.850 1.00 0.00 O ATOM 1233 CB ALA A 79 -13.436 14.536 0.143 1.00 0.00 C ATOM 0 H ALA A 79 -14.335 13.461 2.202 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.507 15.077 0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.252 14.906 -0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.170 15.307 0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.829 13.648 0.320 1.00 0.00 H new ATOM 1239 N HIS A 80 -15.360 11.854 -0.216 1.00 0.00 N ATOM 1240 CA HIS A 80 -15.722 10.749 -1.148 1.00 0.00 C ATOM 1241 C HIS A 80 -17.213 10.841 -1.450 1.00 0.00 C ATOM 1242 O HIS A 80 -17.645 10.724 -2.581 1.00 0.00 O ATOM 1243 CB HIS A 80 -15.399 9.391 -0.519 1.00 0.00 C ATOM 1244 CG HIS A 80 -15.920 8.288 -1.401 1.00 0.00 C ATOM 1245 ND1 HIS A 80 -15.098 7.573 -2.258 1.00 0.00 N ATOM 1246 CD2 HIS A 80 -17.176 7.757 -1.558 1.00 0.00 C ATOM 1247 CE1 HIS A 80 -15.864 6.661 -2.884 1.00 0.00 C ATOM 1248 NE2 HIS A 80 -17.141 6.731 -2.493 1.00 0.00 N ATOM 0 H HIS A 80 -15.187 11.579 0.751 1.00 0.00 H new ATOM 0 HA HIS A 80 -15.146 10.842 -2.069 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -14.322 9.287 -0.388 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -15.849 9.322 0.471 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -18.060 8.088 -1.033 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -15.492 5.957 -3.614 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.920 6.156 -2.812 1.00 0.00 H new ATOM 1256 N ILE A 81 -18.000 11.064 -0.442 1.00 0.00 N ATOM 1257 CA ILE A 81 -19.464 11.177 -0.655 1.00 0.00 C ATOM 1258 C ILE A 81 -19.744 12.334 -1.605 1.00 0.00 C ATOM 1259 O ILE A 81 -20.411 12.185 -2.605 1.00 0.00 O ATOM 1260 CB ILE A 81 -20.175 11.466 0.668 1.00 0.00 C ATOM 1261 CG1 ILE A 81 -19.449 10.772 1.814 1.00 0.00 C ATOM 1262 CG2 ILE A 81 -21.623 10.979 0.604 1.00 0.00 C ATOM 1263 CD1 ILE A 81 -19.227 9.292 1.492 1.00 0.00 C ATOM 0 H ILE A 81 -17.692 11.173 0.524 1.00 0.00 H new ATOM 0 HA ILE A 81 -19.828 10.237 -1.070 1.00 0.00 H new ATOM 0 HB ILE A 81 -20.169 12.542 0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.490 11.259 1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -20.030 10.867 2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -22.120 11.190 1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -22.145 11.494 -0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -21.638 9.905 0.418 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.707 8.813 2.322 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.190 8.805 1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.626 9.203 0.587 1.00 0.00 H new ATOM 1275 N ASN A 82 -19.239 13.492 -1.295 1.00 0.00 N ATOM 1276 CA ASN A 82 -19.489 14.661 -2.168 1.00 0.00 C ATOM 1277 C ASN A 82 -18.843 14.422 -3.520 1.00 0.00 C ATOM 1278 O ASN A 82 -19.218 15.018 -4.510 1.00 0.00 O ATOM 1279 CB ASN A 82 -18.890 15.916 -1.529 1.00 0.00 C ATOM 1280 CG ASN A 82 -19.196 15.920 -0.030 1.00 0.00 C ATOM 1281 OD1 ASN A 82 -20.331 15.749 0.371 1.00 0.00 O ATOM 1282 ND2 ASN A 82 -18.226 16.110 0.821 1.00 0.00 N ATOM 0 H ASN A 82 -18.664 13.677 -0.473 1.00 0.00 H new ATOM 0 HA ASN A 82 -20.563 14.800 -2.295 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -17.812 15.941 -1.691 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -19.304 16.809 -1.998 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -18.420 16.115 1.822 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -17.274 16.253 0.485 1.00 0.00 H new ATOM 1289 N HIS A 83 -17.864 13.564 -3.577 1.00 0.00 N ATOM 1290 CA HIS A 83 -17.200 13.318 -4.879 1.00 0.00 C ATOM 1291 C HIS A 83 -17.924 12.224 -5.670 1.00 0.00 C ATOM 1292 O HIS A 83 -17.632 12.016 -6.832 1.00 0.00 O ATOM 1293 CB HIS A 83 -15.747 12.899 -4.660 1.00 0.00 C ATOM 1294 CG HIS A 83 -14.929 14.100 -4.271 1.00 0.00 C ATOM 1295 ND1 HIS A 83 -13.555 14.151 -4.460 1.00 0.00 N ATOM 1296 CD2 HIS A 83 -15.274 15.301 -3.701 1.00 0.00 C ATOM 1297 CE1 HIS A 83 -13.128 15.346 -4.012 1.00 0.00 C ATOM 1298 NE2 HIS A 83 -14.136 16.082 -3.541 1.00 0.00 N ATOM 0 H HIS A 83 -17.501 13.030 -2.787 1.00 0.00 H new ATOM 0 HA HIS A 83 -17.234 14.246 -5.449 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -15.690 12.140 -3.880 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.346 12.452 -5.570 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -16.275 15.593 -3.420 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.098 15.669 -4.031 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -14.083 17.021 -3.146 1.00 0.00 H new ATOM 1307 N ARG A 84 -18.828 11.494 -5.052 1.00 0.00 N ATOM 1308 CA ARG A 84 -19.516 10.383 -5.784 1.00 0.00 C ATOM 1309 C ARG A 84 -21.036 10.556 -5.835 1.00 0.00 C ATOM 1310 O ARG A 84 -21.651 10.331 -6.859 1.00 0.00 O ATOM 1311 CB ARG A 84 -19.171 9.066 -5.093 1.00 0.00 C ATOM 1312 CG ARG A 84 -17.650 8.886 -5.096 1.00 0.00 C ATOM 1313 CD ARG A 84 -17.141 8.684 -6.528 1.00 0.00 C ATOM 1314 NE ARG A 84 -16.082 7.635 -6.535 1.00 0.00 N ATOM 1315 CZ ARG A 84 -14.854 7.942 -6.214 1.00 0.00 C ATOM 1316 NH1 ARG A 84 -14.552 9.168 -5.884 1.00 0.00 N ATOM 1317 NH2 ARG A 84 -13.929 7.021 -6.223 1.00 0.00 N ATOM 0 H ARG A 84 -19.115 11.620 -4.081 1.00 0.00 H new ATOM 0 HA ARG A 84 -19.166 10.392 -6.816 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -19.548 9.067 -4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -19.650 8.233 -5.608 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -17.173 9.760 -4.653 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -17.377 8.028 -4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -17.964 8.390 -7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -16.743 9.620 -6.920 1.00 0.00 H new ATOM 0 HE ARG A 84 -16.317 6.676 -6.791 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -15.275 9.887 -5.877 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.593 9.407 -5.633 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -14.166 6.063 -6.481 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.969 7.259 -5.973 1.00 0.00 H new ATOM 1331 N HIS A 85 -21.657 10.931 -4.762 1.00 0.00 N ATOM 1332 CA HIS A 85 -23.136 11.086 -4.790 1.00 0.00 C ATOM 1333 C HIS A 85 -23.580 12.110 -3.747 1.00 0.00 C ATOM 1334 O HIS A 85 -24.622 12.723 -3.871 1.00 0.00 O ATOM 1335 CB HIS A 85 -23.791 9.738 -4.488 1.00 0.00 C ATOM 1336 CG HIS A 85 -22.800 8.825 -3.817 1.00 0.00 C ATOM 1337 ND1 HIS A 85 -22.735 7.469 -4.097 1.00 0.00 N ATOM 1338 CD2 HIS A 85 -21.832 9.060 -2.875 1.00 0.00 C ATOM 1339 CE1 HIS A 85 -21.757 6.944 -3.336 1.00 0.00 C ATOM 1340 NE2 HIS A 85 -21.170 7.869 -2.570 1.00 0.00 N ATOM 0 H HIS A 85 -21.211 11.137 -3.868 1.00 0.00 H new ATOM 0 HA HIS A 85 -23.439 11.433 -5.778 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -24.659 9.882 -3.845 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -24.150 9.283 -5.411 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -23.322 6.961 -4.759 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -21.614 10.022 -2.435 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -21.480 5.900 -3.343 1.00 0.00 H new ATOM 1348 N MET A 86 -22.800 12.294 -2.721 1.00 0.00 N ATOM 1349 CA MET A 86 -23.167 13.278 -1.658 1.00 0.00 C ATOM 1350 C MET A 86 -24.424 12.800 -0.927 1.00 0.00 C ATOM 1351 O MET A 86 -25.287 13.582 -0.579 1.00 0.00 O ATOM 1352 CB MET A 86 -23.433 14.649 -2.288 1.00 0.00 C ATOM 1353 CG MET A 86 -23.224 15.743 -1.238 1.00 0.00 C ATOM 1354 SD MET A 86 -24.375 17.104 -1.551 1.00 0.00 S ATOM 1355 CE MET A 86 -23.591 18.320 -0.465 1.00 0.00 C ATOM 0 H MET A 86 -21.918 11.804 -2.569 1.00 0.00 H new ATOM 0 HA MET A 86 -22.343 13.361 -0.949 1.00 0.00 H new ATOM 0 HB2 MET A 86 -22.763 14.809 -3.133 1.00 0.00 H new ATOM 0 HB3 MET A 86 -24.451 14.692 -2.675 1.00 0.00 H new ATOM 0 HG2 MET A 86 -23.385 15.339 -0.239 1.00 0.00 H new ATOM 0 HG3 MET A 86 -22.197 16.105 -1.274 1.00 0.00 H new ATOM 0 HE1 MET A 86 -24.149 19.256 -0.504 1.00 0.00 H new ATOM 0 HE2 MET A 86 -23.585 17.944 0.558 1.00 0.00 H new ATOM 0 HE3 MET A 86 -22.566 18.494 -0.794 1.00 0.00 H new ATOM 1365 N ARG A 87 -24.533 11.522 -0.688 1.00 0.00 N ATOM 1366 CA ARG A 87 -25.732 10.997 0.022 1.00 0.00 C ATOM 1367 C ARG A 87 -25.453 10.951 1.527 1.00 0.00 C ATOM 1368 O ARG A 87 -24.493 11.520 2.007 1.00 0.00 O ATOM 1369 CB ARG A 87 -26.048 9.587 -0.483 1.00 0.00 C ATOM 1370 CG ARG A 87 -27.472 9.551 -1.041 1.00 0.00 C ATOM 1371 CD ARG A 87 -27.755 8.170 -1.632 1.00 0.00 C ATOM 1372 NE ARG A 87 -27.902 8.283 -3.110 1.00 0.00 N ATOM 1373 CZ ARG A 87 -27.737 7.232 -3.865 1.00 0.00 C ATOM 1374 NH1 ARG A 87 -27.444 6.081 -3.325 1.00 0.00 N ATOM 1375 NH2 ARG A 87 -27.867 7.331 -5.160 1.00 0.00 N ATOM 0 H ARG A 87 -23.843 10.819 -0.954 1.00 0.00 H new ATOM 0 HA ARG A 87 -26.584 11.650 -0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -25.336 9.298 -1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -25.946 8.867 0.329 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -28.189 9.774 -0.251 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -27.593 10.317 -1.807 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -26.943 7.485 -1.388 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -28.664 7.755 -1.196 1.00 0.00 H new ATOM 0 HE ARG A 87 -28.132 9.183 -3.532 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -27.344 6.003 -2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -27.315 5.259 -3.915 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -28.098 8.230 -5.582 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -27.738 6.509 -5.750 1.00 0.00 H new ATOM 1389 N ALA A 88 -26.285 10.277 2.274 1.00 0.00 N ATOM 1390 CA ALA A 88 -26.066 10.195 3.746 1.00 0.00 C ATOM 1391 C ALA A 88 -24.853 9.308 4.033 1.00 0.00 C ATOM 1392 O ALA A 88 -24.954 8.097 4.075 1.00 0.00 O ATOM 1393 CB ALA A 88 -27.305 9.597 4.414 1.00 0.00 C ATOM 0 H ALA A 88 -27.106 9.780 1.929 1.00 0.00 H new ATOM 0 HA ALA A 88 -25.887 11.194 4.142 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -27.145 9.537 5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -28.169 10.229 4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -27.485 8.598 4.018 1.00 0.00 H new ATOM 1399 N GLY A 89 -23.707 9.899 4.232 1.00 0.00 N ATOM 1400 CA GLY A 89 -22.489 9.088 4.517 1.00 0.00 C ATOM 1401 C GLY A 89 -21.545 9.881 5.422 1.00 0.00 C ATOM 1402 O GLY A 89 -21.871 11.014 5.735 1.00 0.00 O ATOM 1403 OXT GLY A 89 -20.513 9.341 5.787 1.00 0.00 O ATOM 0 H GLY A 89 -23.561 10.908 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -22.768 8.151 4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -21.985 8.830 3.585 1.00 0.00 H new TER 1407 GLY A 89 HETATM 1408 ZN ZN A 101 -5.980 -10.183 -1.037 1.00 0.00 ZN HETATM 1409 ZN ZN A 102 -7.002 -0.644 -5.614 1.00 0.00 ZN HETATM 1410 ZN ZN A 103 -19.235 7.041 -2.209 1.00 0.00 ZN