USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=22 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 80 HIS HE2 : A 80 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 21 LYS NZ :NH3+ -129:sc= -0.032 (180deg=-0.0158) USER MOD Set 1.2: A 68 LYS NZ :NH3+ 146:sc= -0.888 (180deg=-2.73!) USER MOD Set 2.1: A 14 TYR OH : rot 165:sc= -0.0149 USER MOD Set 2.2: A 60 MET CE :methyl 152:sc= -0.678 (180deg=-2.43!) USER MOD Set 3.1: A 54 THR OG1 : rot 63:sc= -0.191 USER MOD Set 3.2: A 57 SER OG : rot -5:sc= -0.738! USER MOD Set 4.1: A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 44 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 17 MET CE :methyl -121:sc= -0.995 (180deg=-3.68!) USER MOD Set 5.2: A 32 HIS : no HE2:sc= -6.98! C(o=-8!,f=-11!) USER MOD Set 6.1: A 1 VAL N :NH3+ -173:sc= -0.956 (180deg=-0.976) USER MOD Set 6.2: A 2 HIS :FLIP no HD1:sc= 0.524 F(o=-5.2!,f=-0.43) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 143:sc= -0.135 (180deg=-0.903) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -152:sc= -0.0377 (180deg=-0.392) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=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 150:sc= -1.13 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 70 THR OG1 : rot 180:sc= 0.0164 USER MOD Single : A 71 TYR OH : rot 8:sc= -2.58 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -0.272 F(o=-2.4,f=-0.27) USER MOD Single : A 78 GLN : amide:sc= -0.669 X(o=-0.67,f=-0.26) USER MOD Single : A 82 ASN : amide:sc= -0.755 X(o=-0.76,f=-0.97) USER MOD Single : A 83 HIS : no HD1:sc= -2.46! C(o=-2.5!,f=-2.3!) USER MOD Single : A 85 HIS :FLIP no HD1:sc= -4.34 F(o=-5.1,f=-4.3) USER MOD Single : A 86 MET CE :methyl -129:sc= 0 (180deg=-1.01) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -17.364 -7.016 6.448 1.00 0.00 N ATOM 2 CA VAL A 1 -16.972 -5.765 5.739 1.00 0.00 C ATOM 3 C VAL A 1 -15.471 -5.771 5.503 1.00 0.00 C ATOM 4 O VAL A 1 -14.885 -4.793 5.081 1.00 0.00 O ATOM 5 CB VAL A 1 -17.347 -4.561 6.593 1.00 0.00 C ATOM 6 CG1 VAL A 1 -16.942 -3.272 5.874 1.00 0.00 C ATOM 7 CG2 VAL A 1 -18.859 -4.558 6.836 1.00 0.00 C ATOM 0 H1 VAL A 1 -18.401 -7.072 6.506 1.00 0.00 H new ATOM 0 H2 VAL A 1 -17.002 -7.839 5.926 1.00 0.00 H new ATOM 0 H3 VAL A 1 -16.963 -7.011 7.408 1.00 0.00 H new ATOM 0 HA VAL A 1 -17.492 -5.708 4.783 1.00 0.00 H new ATOM 0 HB VAL A 1 -16.825 -4.620 7.548 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -17.212 -2.413 6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -15.865 -3.273 5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -17.460 -3.211 4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -19.128 -3.696 7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -19.381 -4.502 5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -19.146 -5.473 7.353 1.00 0.00 H new ATOM 19 N HIS A 2 -14.863 -6.881 5.770 1.00 0.00 N ATOM 20 CA HIS A 2 -13.398 -7.027 5.575 1.00 0.00 C ATOM 21 C HIS A 2 -13.150 -8.176 4.596 1.00 0.00 C ATOM 22 O HIS A 2 -12.113 -8.788 4.590 1.00 0.00 O ATOM 23 CB HIS A 2 -12.739 -7.333 6.926 1.00 0.00 C ATOM 24 CG HIS A 2 -13.803 -7.633 7.945 1.00 0.00 C ATOM 25 ND1 HIS A 2 -14.881 -8.483 7.921 1.00 0.00 N flip ATOM 26 CD2 HIS A 2 -13.833 -7.017 9.188 1.00 0.00 C flip ATOM 27 CE1 HIS A 2 -15.566 -8.397 9.128 1.00 0.00 C flip ATOM 28 NE2 HIS A 2 -14.896 -7.501 9.856 1.00 0.00 N flip ATOM 0 H HIS A 2 -15.328 -7.717 6.124 1.00 0.00 H new ATOM 0 HA HIS A 2 -12.972 -6.107 5.174 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -12.063 -8.183 6.829 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -12.138 -6.483 7.251 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -13.131 -6.282 9.553 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.454 -8.941 9.416 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -15.157 -7.219 10.801 1.00 0.00 H new ATOM 37 N PHE A 3 -14.101 -8.474 3.760 1.00 0.00 N ATOM 38 CA PHE A 3 -13.908 -9.578 2.780 1.00 0.00 C ATOM 39 C PHE A 3 -13.013 -9.087 1.639 1.00 0.00 C ATOM 40 O PHE A 3 -13.396 -8.227 0.871 1.00 0.00 O ATOM 41 CB PHE A 3 -15.264 -10.006 2.210 1.00 0.00 C ATOM 42 CG PHE A 3 -16.166 -10.464 3.330 1.00 0.00 C ATOM 43 CD1 PHE A 3 -15.920 -11.684 3.971 1.00 0.00 C ATOM 44 CD2 PHE A 3 -17.251 -9.672 3.725 1.00 0.00 C ATOM 45 CE1 PHE A 3 -16.759 -12.112 5.008 1.00 0.00 C ATOM 46 CE2 PHE A 3 -18.089 -10.099 4.762 1.00 0.00 C ATOM 47 CZ PHE A 3 -17.843 -11.320 5.403 1.00 0.00 C ATOM 0 H PHE A 3 -15.004 -8.002 3.712 1.00 0.00 H new ATOM 0 HA PHE A 3 -13.441 -10.428 3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -15.724 -9.174 1.677 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -15.128 -10.811 1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -15.083 -12.295 3.666 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -17.441 -8.731 3.230 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -16.569 -13.053 5.503 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -18.925 -9.487 5.068 1.00 0.00 H new ATOM 0 HZ PHE A 3 -18.490 -11.650 6.202 1.00 0.00 H new ATOM 57 N CYS A 4 -11.824 -9.618 1.525 1.00 0.00 N ATOM 58 CA CYS A 4 -10.912 -9.171 0.439 1.00 0.00 C ATOM 59 C CYS A 4 -11.672 -9.096 -0.883 1.00 0.00 C ATOM 60 O CYS A 4 -12.574 -9.867 -1.141 1.00 0.00 O ATOM 61 CB CYS A 4 -9.775 -10.172 0.305 1.00 0.00 C ATOM 62 SG CYS A 4 -8.453 -9.453 -0.702 1.00 0.00 S ATOM 0 H CYS A 4 -11.448 -10.341 2.138 1.00 0.00 H new ATOM 0 HA CYS A 4 -10.518 -8.184 0.682 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -9.392 -10.438 1.290 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -10.138 -11.091 -0.155 1.00 0.00 H new ATOM 67 N ASP A 5 -11.312 -8.162 -1.718 1.00 0.00 N ATOM 68 CA ASP A 5 -12.006 -8.020 -3.023 1.00 0.00 C ATOM 69 C ASP A 5 -11.417 -9.009 -4.031 1.00 0.00 C ATOM 70 O ASP A 5 -12.077 -9.406 -4.972 1.00 0.00 O ATOM 71 CB ASP A 5 -11.820 -6.590 -3.537 1.00 0.00 C ATOM 72 CG ASP A 5 -11.791 -6.591 -5.067 1.00 0.00 C ATOM 73 OD1 ASP A 5 -12.706 -7.139 -5.657 1.00 0.00 O ATOM 74 OD2 ASP A 5 -10.853 -6.041 -5.622 1.00 0.00 O ATOM 0 H ASP A 5 -10.564 -7.489 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.068 -8.230 -2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.632 -5.956 -3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.893 -6.171 -3.146 1.00 0.00 H new ATOM 79 N LYS A 6 -10.180 -9.406 -3.852 1.00 0.00 N ATOM 80 CA LYS A 6 -9.564 -10.364 -4.816 1.00 0.00 C ATOM 81 C LYS A 6 -9.643 -11.793 -4.277 1.00 0.00 C ATOM 82 O LYS A 6 -9.928 -12.723 -5.005 1.00 0.00 O ATOM 83 CB LYS A 6 -8.094 -10.001 -5.042 1.00 0.00 C ATOM 84 CG LYS A 6 -7.848 -9.728 -6.529 1.00 0.00 C ATOM 85 CD LYS A 6 -8.094 -10.998 -7.356 1.00 0.00 C ATOM 86 CE LYS A 6 -9.029 -10.666 -8.522 1.00 0.00 C ATOM 87 NZ LYS A 6 -9.084 -11.817 -9.464 1.00 0.00 N ATOM 0 H LYS A 6 -9.576 -9.109 -3.085 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.112 -10.303 -5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.833 -9.121 -4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.453 -10.814 -4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.506 -8.930 -6.872 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.825 -9.383 -6.677 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.149 -11.390 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.535 -11.774 -6.730 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.028 -10.442 -8.147 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.676 -9.775 -9.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.720 -11.588 -10.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.131 -12.011 -9.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.440 -12.657 -8.965 1.00 0.00 H new ATOM 101 N CYS A 7 -9.373 -11.984 -3.017 1.00 0.00 N ATOM 102 CA CYS A 7 -9.411 -13.361 -2.452 1.00 0.00 C ATOM 103 C CYS A 7 -10.806 -13.685 -1.912 1.00 0.00 C ATOM 104 O CYS A 7 -11.228 -14.824 -1.912 1.00 0.00 O ATOM 105 CB CYS A 7 -8.379 -13.471 -1.331 1.00 0.00 C ATOM 106 SG CYS A 7 -6.773 -12.929 -1.961 1.00 0.00 S ATOM 0 H CYS A 7 -9.128 -11.248 -2.355 1.00 0.00 H new ATOM 0 HA CYS A 7 -9.176 -14.076 -3.241 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.678 -12.857 -0.482 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.317 -14.499 -0.975 1.00 0.00 H new ATOM 111 N GLY A 8 -11.530 -12.700 -1.458 1.00 0.00 N ATOM 112 CA GLY A 8 -12.898 -12.969 -0.931 1.00 0.00 C ATOM 113 C GLY A 8 -12.807 -13.506 0.500 1.00 0.00 C ATOM 114 O GLY A 8 -13.805 -13.808 1.124 1.00 0.00 O ATOM 0 H GLY A 8 -11.236 -11.724 -1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.491 -12.054 -0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.408 -13.692 -1.568 1.00 0.00 H new ATOM 118 N LEU A 9 -11.620 -13.617 1.030 1.00 0.00 N ATOM 119 CA LEU A 9 -11.468 -14.124 2.424 1.00 0.00 C ATOM 120 C LEU A 9 -11.570 -12.938 3.386 1.00 0.00 C ATOM 121 O LEU A 9 -11.370 -11.806 2.992 1.00 0.00 O ATOM 122 CB LEU A 9 -10.098 -14.793 2.570 1.00 0.00 C ATOM 123 CG LEU A 9 -10.250 -16.316 2.490 1.00 0.00 C ATOM 124 CD1 LEU A 9 -10.975 -16.695 1.198 1.00 0.00 C ATOM 125 CD2 LEU A 9 -8.862 -16.962 2.502 1.00 0.00 C ATOM 0 H LEU A 9 -10.748 -13.378 0.558 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.247 -14.852 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.428 -14.444 1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.647 -14.513 3.522 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.828 -16.668 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.081 -17.779 1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.962 -16.233 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.399 -16.344 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.965 -18.046 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.288 -16.607 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.344 -16.694 3.423 1.00 0.00 H new ATOM 137 N PRO A 10 -11.884 -13.180 4.632 1.00 0.00 N ATOM 138 CA PRO A 10 -12.014 -12.090 5.635 1.00 0.00 C ATOM 139 C PRO A 10 -10.673 -11.435 5.964 1.00 0.00 C ATOM 140 O PRO A 10 -9.898 -11.911 6.769 1.00 0.00 O ATOM 141 CB PRO A 10 -12.602 -12.764 6.863 1.00 0.00 C ATOM 142 CG PRO A 10 -12.287 -14.218 6.720 1.00 0.00 C ATOM 143 CD PRO A 10 -12.148 -14.501 5.222 1.00 0.00 C ATOM 0 HA PRO A 10 -12.639 -11.281 5.257 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.168 -12.358 7.777 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.678 -12.601 6.921 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.365 -14.466 7.246 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.078 -14.829 7.156 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.334 -15.197 5.021 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.056 -14.946 4.814 1.00 0.00 H new ATOM 151 N ILE A 11 -10.421 -10.335 5.332 1.00 0.00 N ATOM 152 CA ILE A 11 -9.159 -9.574 5.547 1.00 0.00 C ATOM 153 C ILE A 11 -8.809 -9.539 7.037 1.00 0.00 C ATOM 154 O ILE A 11 -9.482 -8.916 7.834 1.00 0.00 O ATOM 155 CB ILE A 11 -9.378 -8.153 4.993 1.00 0.00 C ATOM 156 CG1 ILE A 11 -9.551 -8.258 3.478 1.00 0.00 C ATOM 157 CG2 ILE A 11 -8.187 -7.227 5.274 1.00 0.00 C ATOM 158 CD1 ILE A 11 -10.059 -6.929 2.929 1.00 0.00 C ATOM 0 H ILE A 11 -11.054 -9.913 4.652 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.324 -10.050 5.032 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.256 -7.731 5.482 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.601 -8.517 3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.254 -9.056 3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.390 -6.238 4.864 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.033 -7.149 6.350 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.290 -7.636 4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.182 -7.005 1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.018 -6.689 3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.340 -6.142 3.158 1.00 0.00 H new ATOM 170 N LYS A 12 -7.735 -10.186 7.407 1.00 0.00 N ATOM 171 CA LYS A 12 -7.304 -10.172 8.833 1.00 0.00 C ATOM 172 C LYS A 12 -6.512 -8.888 9.070 1.00 0.00 C ATOM 173 O LYS A 12 -6.552 -8.300 10.132 1.00 0.00 O ATOM 174 CB LYS A 12 -6.417 -11.388 9.114 1.00 0.00 C ATOM 175 CG LYS A 12 -6.142 -11.486 10.615 1.00 0.00 C ATOM 176 CD LYS A 12 -5.089 -12.566 10.870 1.00 0.00 C ATOM 177 CE LYS A 12 -3.773 -11.910 11.291 1.00 0.00 C ATOM 178 NZ LYS A 12 -3.978 -11.156 12.560 1.00 0.00 N ATOM 0 H LYS A 12 -7.137 -10.725 6.780 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.169 -10.212 9.495 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.907 -12.297 8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.478 -11.300 8.567 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.793 -10.526 10.995 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.061 -11.726 11.149 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.433 -13.247 11.649 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.939 -13.161 9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.003 -12.669 11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.423 -11.237 10.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.132 -11.246 13.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.144 -10.152 12.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.801 -11.543 13.064 1.00 0.00 H new ATOM 192 N VAL A 13 -5.811 -8.442 8.060 1.00 0.00 N ATOM 193 CA VAL A 13 -5.024 -7.186 8.163 1.00 0.00 C ATOM 194 C VAL A 13 -5.319 -6.362 6.917 1.00 0.00 C ATOM 195 O VAL A 13 -5.564 -6.902 5.859 1.00 0.00 O ATOM 196 CB VAL A 13 -3.536 -7.504 8.220 1.00 0.00 C ATOM 197 CG1 VAL A 13 -2.799 -6.386 8.962 1.00 0.00 C ATOM 198 CG2 VAL A 13 -3.321 -8.831 8.951 1.00 0.00 C ATOM 0 H VAL A 13 -5.753 -8.907 7.154 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.294 -6.640 9.067 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.146 -7.583 7.205 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.734 -6.616 9.002 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.947 -5.442 8.438 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.190 -6.303 9.976 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.255 -9.056 8.990 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.714 -8.756 9.965 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.841 -9.628 8.419 1.00 0.00 H new ATOM 208 N TYR A 14 -5.324 -5.070 7.020 1.00 0.00 N ATOM 209 CA TYR A 14 -5.650 -4.248 5.825 1.00 0.00 C ATOM 210 C TYR A 14 -4.404 -3.972 4.992 1.00 0.00 C ATOM 211 O TYR A 14 -3.592 -3.128 5.320 1.00 0.00 O ATOM 212 CB TYR A 14 -6.248 -2.924 6.274 1.00 0.00 C ATOM 213 CG TYR A 14 -7.741 -3.060 6.519 1.00 0.00 C ATOM 214 CD1 TYR A 14 -8.307 -4.280 6.936 1.00 0.00 C ATOM 215 CD2 TYR A 14 -8.563 -1.944 6.333 1.00 0.00 C ATOM 216 CE1 TYR A 14 -9.687 -4.368 7.160 1.00 0.00 C ATOM 217 CE2 TYR A 14 -9.941 -2.037 6.557 1.00 0.00 C ATOM 218 CZ TYR A 14 -10.503 -3.248 6.971 1.00 0.00 C ATOM 219 OH TYR A 14 -11.862 -3.338 7.193 1.00 0.00 O ATOM 0 H TYR A 14 -5.119 -4.547 7.871 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.363 -4.801 5.213 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.755 -2.588 7.186 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.068 -2.163 5.515 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.679 -5.146 7.083 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.132 -1.006 6.015 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.122 -5.303 7.480 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.571 -1.172 6.410 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.244 -2.438 7.253 1.00 0.00 H new ATOM 229 N GLY A 15 -4.276 -4.652 3.890 1.00 0.00 N ATOM 230 CA GLY A 15 -3.119 -4.408 2.996 1.00 0.00 C ATOM 231 C GLY A 15 -3.416 -3.142 2.212 1.00 0.00 C ATOM 232 O GLY A 15 -4.035 -3.179 1.170 1.00 0.00 O ATOM 0 H GLY A 15 -4.927 -5.369 3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.202 -4.296 3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.969 -5.251 2.322 1.00 0.00 H new ATOM 236 N ARG A 16 -3.000 -2.025 2.728 1.00 0.00 N ATOM 237 CA ARG A 16 -3.280 -0.729 2.044 1.00 0.00 C ATOM 238 C ARG A 16 -2.382 -0.570 0.825 1.00 0.00 C ATOM 239 O ARG A 16 -1.202 -0.838 0.880 1.00 0.00 O ATOM 240 CB ARG A 16 -3.015 0.416 3.019 1.00 0.00 C ATOM 241 CG ARG A 16 -3.572 1.714 2.442 1.00 0.00 C ATOM 242 CD ARG A 16 -4.835 2.101 3.212 1.00 0.00 C ATOM 243 NE ARG A 16 -5.488 3.267 2.554 1.00 0.00 N ATOM 244 CZ ARG A 16 -6.411 3.089 1.648 1.00 0.00 C ATOM 245 NH1 ARG A 16 -6.717 1.885 1.242 1.00 0.00 N ATOM 246 NH2 ARG A 16 -7.018 4.122 1.133 1.00 0.00 N ATOM 0 H ARG A 16 -2.475 -1.949 3.599 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.321 -0.713 1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.481 0.204 3.981 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.944 0.515 3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.829 2.508 2.515 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.800 1.588 1.384 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.524 1.257 3.246 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.582 2.348 4.243 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.211 4.214 2.814 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.234 1.077 1.633 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.439 1.754 0.534 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.771 5.063 1.438 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.740 3.989 0.425 1.00 0.00 H new ATOM 260 N MET A 17 -2.941 -0.130 -0.273 1.00 0.00 N ATOM 261 CA MET A 17 -2.134 0.056 -1.511 1.00 0.00 C ATOM 262 C MET A 17 -2.314 1.479 -2.036 1.00 0.00 C ATOM 263 O MET A 17 -3.424 1.969 -2.154 1.00 0.00 O ATOM 264 CB MET A 17 -2.605 -0.928 -2.576 1.00 0.00 C ATOM 265 CG MET A 17 -3.048 -2.227 -1.904 1.00 0.00 C ATOM 266 SD MET A 17 -3.181 -3.538 -3.142 1.00 0.00 S ATOM 267 CE MET A 17 -1.431 -3.664 -3.575 1.00 0.00 C ATOM 0 H MET A 17 -3.928 0.109 -0.363 1.00 0.00 H new ATOM 0 HA MET A 17 -1.083 -0.119 -1.282 1.00 0.00 H new ATOM 0 HB2 MET A 17 -3.431 -0.499 -3.144 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.801 -1.127 -3.284 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.331 -2.512 -1.134 1.00 0.00 H new ATOM 0 HG3 MET A 17 -4.008 -2.083 -1.408 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.304 -3.466 -4.639 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.860 -2.935 -3.000 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.071 -4.667 -3.347 1.00 0.00 H new ATOM 277 N ILE A 18 -1.226 2.136 -2.359 1.00 0.00 N ATOM 278 CA ILE A 18 -1.300 3.528 -2.887 1.00 0.00 C ATOM 279 C ILE A 18 -0.740 3.551 -4.318 1.00 0.00 C ATOM 280 O ILE A 18 0.043 2.701 -4.680 1.00 0.00 O ATOM 281 CB ILE A 18 -0.452 4.453 -2.008 1.00 0.00 C ATOM 282 CG1 ILE A 18 0.624 3.645 -1.297 1.00 0.00 C ATOM 283 CG2 ILE A 18 -1.340 5.131 -0.963 1.00 0.00 C ATOM 284 CD1 ILE A 18 1.552 4.592 -0.532 1.00 0.00 C ATOM 0 H ILE A 18 -0.281 1.760 -2.277 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.336 3.866 -2.884 1.00 0.00 H new ATOM 0 HB ILE A 18 0.015 5.209 -2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.165 2.934 -0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.196 3.065 -2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.733 5.788 -0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.110 5.717 -1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.811 4.372 -0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.323 4.013 -0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.021 5.285 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.974 5.153 0.203 1.00 0.00 H new ATOM 296 N PRO A 19 -1.125 4.515 -5.125 1.00 0.00 N ATOM 297 CA PRO A 19 -2.083 5.591 -4.743 1.00 0.00 C ATOM 298 C PRO A 19 -3.527 5.099 -4.831 1.00 0.00 C ATOM 299 O PRO A 19 -4.468 5.839 -4.624 1.00 0.00 O ATOM 300 CB PRO A 19 -1.827 6.682 -5.779 1.00 0.00 C ATOM 301 CG PRO A 19 -1.342 5.965 -6.995 1.00 0.00 C ATOM 302 CD PRO A 19 -0.670 4.673 -6.517 1.00 0.00 C ATOM 0 HA PRO A 19 -1.944 5.931 -3.717 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.736 7.244 -5.991 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.086 7.397 -5.422 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.171 5.742 -7.667 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.637 6.583 -7.551 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.965 3.822 -7.130 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.416 4.746 -6.574 1.00 0.00 H new ATOM 310 N CYS A 20 -3.697 3.845 -5.136 1.00 0.00 N ATOM 311 CA CYS A 20 -5.063 3.272 -5.241 1.00 0.00 C ATOM 312 C CYS A 20 -5.815 3.532 -3.938 1.00 0.00 C ATOM 313 O CYS A 20 -7.020 3.685 -3.922 1.00 0.00 O ATOM 314 CB CYS A 20 -4.954 1.766 -5.470 1.00 0.00 C ATOM 315 SG CYS A 20 -5.923 1.293 -6.924 1.00 0.00 S ATOM 0 H CYS A 20 -2.939 3.187 -5.319 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.598 3.733 -6.071 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.910 1.485 -5.611 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.313 1.229 -4.592 1.00 0.00 H new ATOM 320 N LYS A 21 -5.110 3.559 -2.842 1.00 0.00 N ATOM 321 CA LYS A 21 -5.770 3.782 -1.533 1.00 0.00 C ATOM 322 C LYS A 21 -6.782 2.659 -1.343 1.00 0.00 C ATOM 323 O LYS A 21 -7.815 2.816 -0.723 1.00 0.00 O ATOM 324 CB LYS A 21 -6.455 5.160 -1.506 1.00 0.00 C ATOM 325 CG LYS A 21 -5.578 6.138 -0.716 1.00 0.00 C ATOM 326 CD LYS A 21 -6.222 7.528 -0.704 1.00 0.00 C ATOM 327 CE LYS A 21 -5.136 8.597 -0.852 1.00 0.00 C ATOM 328 NZ LYS A 21 -4.707 8.678 -2.277 1.00 0.00 N ATOM 0 H LYS A 21 -4.098 3.435 -2.800 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.042 3.773 -0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.606 5.526 -2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.440 5.082 -1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.448 5.780 0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.585 6.192 -1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.943 7.613 -1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.770 7.678 0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.515 9.564 -0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.283 8.354 -0.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.670 8.616 -2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.129 7.892 -2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.022 9.582 -2.683 1.00 0.00 H new ATOM 342 N HIS A 22 -6.479 1.511 -1.889 1.00 0.00 N ATOM 343 CA HIS A 22 -7.407 0.358 -1.761 1.00 0.00 C ATOM 344 C HIS A 22 -6.964 -0.522 -0.593 1.00 0.00 C ATOM 345 O HIS A 22 -6.062 -0.174 0.144 1.00 0.00 O ATOM 346 CB HIS A 22 -7.396 -0.467 -3.048 1.00 0.00 C ATOM 347 CG HIS A 22 -8.342 0.142 -4.048 1.00 0.00 C ATOM 348 ND1 HIS A 22 -7.984 0.346 -5.373 1.00 0.00 N ATOM 349 CD2 HIS A 22 -9.634 0.596 -3.937 1.00 0.00 C ATOM 350 CE1 HIS A 22 -9.038 0.900 -6.000 1.00 0.00 C ATOM 351 NE2 HIS A 22 -10.067 1.072 -5.169 1.00 0.00 N ATOM 0 H HIS A 22 -5.627 1.325 -2.418 1.00 0.00 H new ATOM 0 HA HIS A 22 -8.416 0.730 -1.582 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.388 -0.502 -3.461 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.689 -1.495 -2.835 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.223 0.585 -3.032 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.049 1.171 -7.045 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.980 1.469 -5.391 1.00 0.00 H new ATOM 359 N VAL A 23 -7.585 -1.659 -0.416 1.00 0.00 N ATOM 360 CA VAL A 23 -7.184 -2.548 0.710 1.00 0.00 C ATOM 361 C VAL A 23 -7.370 -4.019 0.327 1.00 0.00 C ATOM 362 O VAL A 23 -8.251 -4.371 -0.432 1.00 0.00 O ATOM 363 CB VAL A 23 -8.030 -2.240 1.940 1.00 0.00 C ATOM 364 CG1 VAL A 23 -7.253 -1.306 2.865 1.00 0.00 C ATOM 365 CG2 VAL A 23 -9.337 -1.568 1.512 1.00 0.00 C ATOM 0 H VAL A 23 -8.347 -2.007 -0.998 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.132 -2.368 0.931 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.259 -3.167 2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.855 -1.083 3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.325 -1.788 3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.024 -0.380 2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.939 -1.349 2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.114 -0.640 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.890 -2.236 0.851 1.00 0.00 H new ATOM 375 N PHE A 24 -6.548 -4.879 0.867 1.00 0.00 N ATOM 376 CA PHE A 24 -6.667 -6.339 0.562 1.00 0.00 C ATOM 377 C PHE A 24 -5.995 -7.122 1.680 1.00 0.00 C ATOM 378 O PHE A 24 -5.311 -6.557 2.506 1.00 0.00 O ATOM 379 CB PHE A 24 -5.947 -6.679 -0.745 1.00 0.00 C ATOM 380 CG PHE A 24 -6.392 -5.763 -1.854 1.00 0.00 C ATOM 381 CD1 PHE A 24 -5.792 -4.510 -2.006 1.00 0.00 C ATOM 382 CD2 PHE A 24 -7.388 -6.176 -2.743 1.00 0.00 C ATOM 383 CE1 PHE A 24 -6.191 -3.666 -3.046 1.00 0.00 C ATOM 384 CE2 PHE A 24 -7.783 -5.338 -3.788 1.00 0.00 C ATOM 385 CZ PHE A 24 -7.187 -4.081 -3.941 1.00 0.00 C ATOM 0 H PHE A 24 -5.795 -4.634 1.510 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.723 -6.593 0.472 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.870 -6.592 -0.605 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.150 -7.714 -1.019 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.020 -4.194 -1.320 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.852 -7.144 -2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.732 -2.695 -3.160 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.549 -5.660 -4.478 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.494 -3.432 -4.747 1.00 0.00 H new ATOM 395 N CYS A 25 -6.141 -8.417 1.714 1.00 0.00 N ATOM 396 CA CYS A 25 -5.444 -9.167 2.791 1.00 0.00 C ATOM 397 C CYS A 25 -3.951 -8.890 2.641 1.00 0.00 C ATOM 398 O CYS A 25 -3.335 -9.255 1.660 1.00 0.00 O ATOM 399 CB CYS A 25 -5.725 -10.671 2.694 1.00 0.00 C ATOM 400 SG CYS A 25 -6.846 -11.012 1.329 1.00 0.00 S ATOM 0 H CYS A 25 -6.695 -8.974 1.064 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.803 -8.842 3.767 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.791 -11.214 2.550 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.160 -11.027 3.628 1.00 0.00 H new ATOM 405 N TYR A 26 -3.374 -8.217 3.599 1.00 0.00 N ATOM 406 CA TYR A 26 -1.921 -7.876 3.516 1.00 0.00 C ATOM 407 C TYR A 26 -1.111 -9.100 3.093 1.00 0.00 C ATOM 408 O TYR A 26 0.045 -8.991 2.742 1.00 0.00 O ATOM 409 CB TYR A 26 -1.445 -7.359 4.880 1.00 0.00 C ATOM 410 CG TYR A 26 0.010 -6.931 4.814 1.00 0.00 C ATOM 411 CD1 TYR A 26 0.426 -5.929 3.920 1.00 0.00 C ATOM 412 CD2 TYR A 26 0.947 -7.535 5.662 1.00 0.00 C ATOM 413 CE1 TYR A 26 1.772 -5.542 3.878 1.00 0.00 C ATOM 414 CE2 TYR A 26 2.291 -7.146 5.617 1.00 0.00 C ATOM 415 CZ TYR A 26 2.703 -6.150 4.726 1.00 0.00 C ATOM 416 OH TYR A 26 4.028 -5.767 4.684 1.00 0.00 O ATOM 0 H TYR A 26 -3.847 -7.886 4.440 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.773 -7.098 2.766 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.063 -6.517 5.191 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.566 -8.138 5.632 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.292 -5.457 3.265 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.632 -8.303 6.353 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.091 -4.773 3.190 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.011 -7.616 6.271 1.00 0.00 H new ATOM 0 HH TYR A 26 4.540 -6.287 5.338 1.00 0.00 H new ATOM 426 N ASP A 27 -1.704 -10.261 3.100 1.00 0.00 N ATOM 427 CA ASP A 27 -0.951 -11.472 2.669 1.00 0.00 C ATOM 428 C ASP A 27 -0.906 -11.504 1.141 1.00 0.00 C ATOM 429 O ASP A 27 0.104 -11.810 0.537 1.00 0.00 O ATOM 430 CB ASP A 27 -1.649 -12.729 3.194 1.00 0.00 C ATOM 431 CG ASP A 27 -1.005 -13.161 4.513 1.00 0.00 C ATOM 432 OD1 ASP A 27 -0.667 -12.291 5.298 1.00 0.00 O ATOM 433 OD2 ASP A 27 -0.860 -14.356 4.716 1.00 0.00 O ATOM 0 H ASP A 27 -2.670 -10.424 3.383 1.00 0.00 H new ATOM 0 HA ASP A 27 0.063 -11.440 3.068 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.711 -12.532 3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.574 -13.532 2.461 1.00 0.00 H new ATOM 438 N CYS A 28 -1.989 -11.175 0.508 1.00 0.00 N ATOM 439 CA CYS A 28 -1.995 -11.171 -0.974 1.00 0.00 C ATOM 440 C CYS A 28 -1.353 -9.878 -1.458 1.00 0.00 C ATOM 441 O CYS A 28 -0.874 -9.786 -2.572 1.00 0.00 O ATOM 442 CB CYS A 28 -3.426 -11.259 -1.494 1.00 0.00 C ATOM 443 SG CYS A 28 -4.472 -12.027 -0.236 1.00 0.00 S ATOM 0 H CYS A 28 -2.869 -10.909 0.951 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.437 -12.030 -1.346 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.799 -10.264 -1.736 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.456 -11.843 -2.414 1.00 0.00 H new ATOM 448 N ALA A 29 -1.336 -8.876 -0.626 1.00 0.00 N ATOM 449 CA ALA A 29 -0.724 -7.593 -1.030 1.00 0.00 C ATOM 450 C ALA A 29 0.795 -7.780 -1.103 1.00 0.00 C ATOM 451 O ALA A 29 1.476 -7.141 -1.879 1.00 0.00 O ATOM 452 CB ALA A 29 -1.108 -6.509 -0.007 1.00 0.00 C ATOM 0 H ALA A 29 -1.722 -8.896 0.318 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.085 -7.278 -2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.660 -5.559 -0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.193 -6.405 0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.744 -6.795 0.980 1.00 0.00 H new ATOM 458 N ILE A 30 1.337 -8.669 -0.320 1.00 0.00 N ATOM 459 CA ILE A 30 2.797 -8.896 -0.381 1.00 0.00 C ATOM 460 C ILE A 30 3.087 -9.962 -1.421 1.00 0.00 C ATOM 461 O ILE A 30 4.131 -9.977 -2.040 1.00 0.00 O ATOM 462 CB ILE A 30 3.292 -9.337 0.984 1.00 0.00 C ATOM 463 CG1 ILE A 30 2.582 -10.613 1.435 1.00 0.00 C ATOM 464 CG2 ILE A 30 2.969 -8.231 1.964 1.00 0.00 C ATOM 465 CD1 ILE A 30 3.221 -11.117 2.730 1.00 0.00 C ATOM 0 H ILE A 30 0.831 -9.243 0.355 1.00 0.00 H new ATOM 0 HA ILE A 30 3.312 -7.977 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 30 4.363 -9.536 0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.521 -10.417 1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.654 -11.376 0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.312 -8.515 2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.470 -7.314 1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.892 -8.066 1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.717 -12.027 3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.276 -11.329 2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.126 -10.355 3.503 1.00 0.00 H new ATOM 477 N LEU A 31 2.161 -10.850 -1.635 1.00 0.00 N ATOM 478 CA LEU A 31 2.403 -11.901 -2.664 1.00 0.00 C ATOM 479 C LEU A 31 2.455 -11.225 -4.027 1.00 0.00 C ATOM 480 O LEU A 31 3.229 -11.600 -4.885 1.00 0.00 O ATOM 481 CB LEU A 31 1.292 -12.953 -2.658 1.00 0.00 C ATOM 482 CG LEU A 31 1.415 -13.843 -1.414 1.00 0.00 C ATOM 483 CD1 LEU A 31 0.061 -14.490 -1.111 1.00 0.00 C ATOM 484 CD2 LEU A 31 2.449 -14.951 -1.656 1.00 0.00 C ATOM 0 H LEU A 31 1.263 -10.897 -1.154 1.00 0.00 H new ATOM 0 HA LEU A 31 3.342 -12.408 -2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.318 -12.464 -2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.354 -13.563 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 31 1.733 -13.227 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.149 -15.122 -0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.681 -13.713 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.251 -15.097 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.528 -15.576 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.136 -15.562 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.419 -14.503 -1.871 1.00 0.00 H new ATOM 496 N HIS A 32 1.657 -10.210 -4.235 1.00 0.00 N ATOM 497 CA HIS A 32 1.705 -9.513 -5.543 1.00 0.00 C ATOM 498 C HIS A 32 2.948 -8.632 -5.563 1.00 0.00 C ATOM 499 O HIS A 32 3.683 -8.597 -6.531 1.00 0.00 O ATOM 500 CB HIS A 32 0.469 -8.640 -5.730 1.00 0.00 C ATOM 501 CG HIS A 32 0.881 -7.202 -5.628 1.00 0.00 C ATOM 502 ND1 HIS A 32 1.556 -6.543 -6.647 1.00 0.00 N ATOM 503 CD2 HIS A 32 0.742 -6.292 -4.620 1.00 0.00 C ATOM 504 CE1 HIS A 32 1.795 -5.287 -6.226 1.00 0.00 C ATOM 505 NE2 HIS A 32 1.319 -5.085 -4.997 1.00 0.00 N ATOM 0 H HIS A 32 0.985 -9.841 -3.562 1.00 0.00 H new ATOM 0 HA HIS A 32 1.734 -10.247 -6.348 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.011 -8.835 -6.700 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -0.278 -8.874 -4.972 1.00 0.00 H new ATOM 0 HD1 HIS A 32 1.822 -6.938 -7.549 1.00 0.00 H new ATOM 0 HD2 HIS A 32 0.257 -6.481 -3.674 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.308 -4.537 -6.810 1.00 0.00 H new ATOM 514 N GLU A 33 3.199 -7.925 -4.493 1.00 0.00 N ATOM 515 CA GLU A 33 4.408 -7.060 -4.458 1.00 0.00 C ATOM 516 C GLU A 33 5.615 -7.915 -4.836 1.00 0.00 C ATOM 517 O GLU A 33 6.558 -7.451 -5.444 1.00 0.00 O ATOM 518 CB GLU A 33 4.579 -6.453 -3.052 1.00 0.00 C ATOM 519 CG GLU A 33 5.743 -7.110 -2.295 1.00 0.00 C ATOM 520 CD GLU A 33 5.755 -6.601 -0.852 1.00 0.00 C ATOM 521 OE1 GLU A 33 4.883 -5.817 -0.514 1.00 0.00 O ATOM 522 OE2 GLU A 33 6.636 -7.003 -0.111 1.00 0.00 O ATOM 0 H GLU A 33 2.624 -7.910 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 33 4.310 -6.236 -5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.757 -5.381 -3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.657 -6.580 -2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.636 -8.195 -2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.689 -6.876 -2.784 1.00 0.00 H new ATOM 529 N LYS A 34 5.589 -9.170 -4.482 1.00 0.00 N ATOM 530 CA LYS A 34 6.729 -10.058 -4.826 1.00 0.00 C ATOM 531 C LYS A 34 6.561 -10.577 -6.257 1.00 0.00 C ATOM 532 O LYS A 34 7.526 -10.855 -6.942 1.00 0.00 O ATOM 533 CB LYS A 34 6.762 -11.245 -3.862 1.00 0.00 C ATOM 534 CG LYS A 34 7.475 -10.840 -2.570 1.00 0.00 C ATOM 535 CD LYS A 34 6.894 -11.634 -1.399 1.00 0.00 C ATOM 536 CE LYS A 34 7.666 -11.299 -0.121 1.00 0.00 C ATOM 537 NZ LYS A 34 8.452 -12.490 0.311 1.00 0.00 N ATOM 0 H LYS A 34 4.828 -9.616 -3.970 1.00 0.00 H new ATOM 0 HA LYS A 34 7.659 -9.496 -4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.747 -11.575 -3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.277 -12.087 -4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.545 -11.030 -2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.354 -9.771 -2.395 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.838 -11.395 -1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.956 -12.703 -1.604 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.332 -10.454 -0.297 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.974 -11.001 0.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.977 -12.263 1.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.806 -13.284 0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.122 -12.755 -0.439 1.00 0.00 H new ATOM 551 N LYS A 35 5.344 -10.722 -6.711 1.00 0.00 N ATOM 552 CA LYS A 35 5.125 -11.236 -8.092 1.00 0.00 C ATOM 553 C LYS A 35 5.234 -10.105 -9.120 1.00 0.00 C ATOM 554 O LYS A 35 6.210 -9.993 -9.836 1.00 0.00 O ATOM 555 CB LYS A 35 3.742 -11.889 -8.184 1.00 0.00 C ATOM 556 CG LYS A 35 3.899 -13.366 -8.551 1.00 0.00 C ATOM 557 CD LYS A 35 4.623 -14.098 -7.420 1.00 0.00 C ATOM 558 CE LYS A 35 3.720 -15.204 -6.870 1.00 0.00 C ATOM 559 NZ LYS A 35 2.491 -14.595 -6.286 1.00 0.00 N ATOM 0 H LYS A 35 4.496 -10.507 -6.186 1.00 0.00 H new ATOM 0 HA LYS A 35 5.895 -11.975 -8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.219 -11.793 -7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.136 -11.379 -8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.921 -13.815 -8.722 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.461 -13.463 -9.480 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.556 -14.525 -7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.883 -13.397 -6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.452 -15.899 -7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.251 -15.778 -6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.124 -15.209 -5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.720 -13.661 -5.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.770 -14.490 -7.028 1.00 0.00 H new ATOM 573 N GLY A 36 4.228 -9.280 -9.210 1.00 0.00 N ATOM 574 CA GLY A 36 4.250 -8.166 -10.206 1.00 0.00 C ATOM 575 C GLY A 36 5.123 -7.020 -9.696 1.00 0.00 C ATOM 576 O GLY A 36 5.886 -6.436 -10.440 1.00 0.00 O ATOM 0 H GLY A 36 3.387 -9.328 -8.635 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.634 -8.529 -11.160 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.236 -7.809 -10.385 1.00 0.00 H new ATOM 580 N ASP A 37 5.015 -6.698 -8.435 1.00 0.00 N ATOM 581 CA ASP A 37 5.836 -5.593 -7.859 1.00 0.00 C ATOM 582 C ASP A 37 5.245 -4.239 -8.247 1.00 0.00 C ATOM 583 O ASP A 37 5.844 -3.210 -8.010 1.00 0.00 O ATOM 584 CB ASP A 37 7.269 -5.686 -8.385 1.00 0.00 C ATOM 585 CG ASP A 37 8.244 -5.221 -7.302 1.00 0.00 C ATOM 586 OD1 ASP A 37 8.006 -4.172 -6.728 1.00 0.00 O ATOM 587 OD2 ASP A 37 9.213 -5.925 -7.064 1.00 0.00 O ATOM 0 H ASP A 37 4.388 -7.157 -7.774 1.00 0.00 H new ATOM 0 HA ASP A 37 5.836 -5.687 -6.773 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.495 -6.712 -8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.380 -5.070 -9.277 1.00 0.00 H new ATOM 592 N LYS A 38 4.083 -4.219 -8.844 1.00 0.00 N ATOM 593 CA LYS A 38 3.495 -2.918 -9.236 1.00 0.00 C ATOM 594 C LYS A 38 2.090 -3.100 -9.823 1.00 0.00 C ATOM 595 O LYS A 38 1.740 -2.488 -10.814 1.00 0.00 O ATOM 596 CB LYS A 38 4.404 -2.285 -10.271 1.00 0.00 C ATOM 597 CG LYS A 38 4.949 -3.375 -11.196 1.00 0.00 C ATOM 598 CD LYS A 38 5.314 -2.763 -12.550 1.00 0.00 C ATOM 599 CE LYS A 38 4.101 -2.820 -13.477 1.00 0.00 C ATOM 600 NZ LYS A 38 4.227 -1.768 -14.525 1.00 0.00 N ATOM 0 H LYS A 38 3.525 -5.042 -9.073 1.00 0.00 H new ATOM 0 HA LYS A 38 3.406 -2.281 -8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.855 -1.542 -10.849 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.226 -1.763 -9.780 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.826 -3.841 -10.748 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.204 -4.159 -11.329 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.637 -1.730 -12.419 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.150 -3.305 -12.993 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.030 -3.804 -13.941 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.185 -2.671 -12.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.401 -1.806 -15.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.275 -0.832 -14.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.093 -1.930 -15.077 1.00 0.00 H new ATOM 614 N MET A 39 1.272 -3.925 -9.229 1.00 0.00 N ATOM 615 CA MET A 39 -0.102 -4.112 -9.779 1.00 0.00 C ATOM 616 C MET A 39 -1.092 -4.429 -8.653 1.00 0.00 C ATOM 617 O MET A 39 -0.934 -5.381 -7.916 1.00 0.00 O ATOM 618 CB MET A 39 -0.095 -5.255 -10.795 1.00 0.00 C ATOM 619 CG MET A 39 0.025 -6.590 -10.060 1.00 0.00 C ATOM 620 SD MET A 39 0.682 -7.844 -11.187 1.00 0.00 S ATOM 621 CE MET A 39 -0.877 -8.245 -12.014 1.00 0.00 C ATOM 0 H MET A 39 1.491 -4.472 -8.396 1.00 0.00 H new ATOM 0 HA MET A 39 -0.413 -3.189 -10.268 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.010 -5.235 -11.387 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.737 -5.134 -11.489 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.681 -6.484 -9.196 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.950 -6.899 -9.684 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.703 -9.015 -12.766 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.595 -8.611 -11.280 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.274 -7.351 -12.495 1.00 0.00 H new ATOM 631 N CYS A 40 -2.116 -3.624 -8.520 1.00 0.00 N ATOM 632 CA CYS A 40 -3.124 -3.862 -7.450 1.00 0.00 C ATOM 633 C CYS A 40 -3.817 -5.212 -7.706 1.00 0.00 C ATOM 634 O CYS A 40 -4.067 -5.559 -8.841 1.00 0.00 O ATOM 635 CB CYS A 40 -4.170 -2.745 -7.489 1.00 0.00 C ATOM 636 SG CYS A 40 -4.732 -2.380 -5.808 1.00 0.00 S ATOM 0 H CYS A 40 -2.295 -2.811 -9.109 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.635 -3.875 -6.476 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.744 -1.850 -7.943 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.015 -3.046 -8.108 1.00 0.00 H new ATOM 641 N PRO A 41 -4.147 -5.977 -6.686 1.00 0.00 N ATOM 642 CA PRO A 41 -4.831 -7.282 -6.893 1.00 0.00 C ATOM 643 C PRO A 41 -6.129 -7.131 -7.688 1.00 0.00 C ATOM 644 O PRO A 41 -6.472 -7.973 -8.494 1.00 0.00 O ATOM 645 CB PRO A 41 -5.151 -7.785 -5.482 1.00 0.00 C ATOM 646 CG PRO A 41 -4.262 -7.025 -4.561 1.00 0.00 C ATOM 647 CD PRO A 41 -3.919 -5.708 -5.254 1.00 0.00 C ATOM 0 HA PRO A 41 -4.201 -7.965 -7.463 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.200 -7.618 -5.237 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.972 -8.857 -5.400 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.760 -6.841 -3.609 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.357 -7.593 -4.343 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.551 -4.895 -4.897 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.886 -5.416 -5.064 1.00 0.00 H new ATOM 655 N GLY A 42 -6.865 -6.075 -7.445 1.00 0.00 N ATOM 656 CA GLY A 42 -8.164 -5.883 -8.160 1.00 0.00 C ATOM 657 C GLY A 42 -8.058 -4.804 -9.243 1.00 0.00 C ATOM 658 O GLY A 42 -8.549 -4.976 -10.341 1.00 0.00 O ATOM 0 H GLY A 42 -6.622 -5.338 -6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.473 -6.825 -8.613 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.937 -5.605 -7.443 1.00 0.00 H new ATOM 662 N CYS A 43 -7.456 -3.685 -8.948 1.00 0.00 N ATOM 663 CA CYS A 43 -7.370 -2.604 -9.971 1.00 0.00 C ATOM 664 C CYS A 43 -6.109 -2.761 -10.819 1.00 0.00 C ATOM 665 O CYS A 43 -5.950 -2.097 -11.825 1.00 0.00 O ATOM 666 CB CYS A 43 -7.348 -1.246 -9.270 1.00 0.00 C ATOM 667 SG CYS A 43 -8.266 -1.364 -7.715 1.00 0.00 S ATOM 0 H CYS A 43 -7.023 -3.473 -8.049 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.239 -2.671 -10.626 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.320 -0.940 -9.077 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.792 -0.485 -9.912 1.00 0.00 H new ATOM 672 N SER A 44 -5.209 -3.621 -10.431 1.00 0.00 N ATOM 673 CA SER A 44 -3.964 -3.793 -11.232 1.00 0.00 C ATOM 674 C SER A 44 -3.376 -2.414 -11.533 1.00 0.00 C ATOM 675 O SER A 44 -2.858 -2.166 -12.604 1.00 0.00 O ATOM 676 CB SER A 44 -4.294 -4.510 -12.542 1.00 0.00 C ATOM 677 OG SER A 44 -3.151 -5.230 -12.983 1.00 0.00 O ATOM 0 H SER A 44 -5.280 -4.209 -9.600 1.00 0.00 H new ATOM 0 HA SER A 44 -3.242 -4.387 -10.673 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.133 -5.190 -12.396 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.598 -3.787 -13.299 1.00 0.00 H new ATOM 0 HG SER A 44 -3.359 -5.692 -13.822 1.00 0.00 H new ATOM 683 N ASP A 45 -3.462 -1.515 -10.592 1.00 0.00 N ATOM 684 CA ASP A 45 -2.919 -0.148 -10.808 1.00 0.00 C ATOM 685 C ASP A 45 -1.454 -0.108 -10.370 1.00 0.00 C ATOM 686 O ASP A 45 -1.000 -0.957 -9.628 1.00 0.00 O ATOM 687 CB ASP A 45 -3.732 0.850 -9.979 1.00 0.00 C ATOM 688 CG ASP A 45 -4.619 1.683 -10.907 1.00 0.00 C ATOM 689 OD1 ASP A 45 -5.242 1.101 -11.780 1.00 0.00 O ATOM 690 OD2 ASP A 45 -4.662 2.890 -10.728 1.00 0.00 O ATOM 0 H ASP A 45 -3.888 -1.671 -9.678 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.986 0.114 -11.864 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.346 0.319 -9.252 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.063 1.502 -9.417 1.00 0.00 H new ATOM 695 N PRO A 46 -0.715 0.872 -10.825 1.00 0.00 N ATOM 696 CA PRO A 46 0.725 1.021 -10.469 1.00 0.00 C ATOM 697 C PRO A 46 0.928 1.110 -8.951 1.00 0.00 C ATOM 698 O PRO A 46 1.149 2.167 -8.395 1.00 0.00 O ATOM 699 CB PRO A 46 1.157 2.322 -11.167 1.00 0.00 C ATOM 700 CG PRO A 46 -0.107 3.025 -11.541 1.00 0.00 C ATOM 701 CD PRO A 46 -1.168 1.944 -11.722 1.00 0.00 C ATOM 0 HA PRO A 46 1.316 0.162 -10.786 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.765 2.938 -10.504 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.762 2.110 -12.049 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.402 3.732 -10.765 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.025 3.597 -12.460 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.160 2.304 -11.449 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.225 1.606 -12.757 1.00 0.00 H new ATOM 709 N VAL A 47 0.843 -0.005 -8.278 1.00 0.00 N ATOM 710 CA VAL A 47 1.020 -0.003 -6.793 1.00 0.00 C ATOM 711 C VAL A 47 2.284 0.774 -6.418 1.00 0.00 C ATOM 712 O VAL A 47 3.390 0.320 -6.640 1.00 0.00 O ATOM 713 CB VAL A 47 1.156 -1.441 -6.294 1.00 0.00 C ATOM 714 CG1 VAL A 47 1.097 -1.468 -4.770 1.00 0.00 C ATOM 715 CG2 VAL A 47 0.021 -2.285 -6.864 1.00 0.00 C ATOM 0 H VAL A 47 0.659 -0.919 -8.690 1.00 0.00 H new ATOM 0 HA VAL A 47 0.152 0.470 -6.334 1.00 0.00 H new ATOM 0 HB VAL A 47 2.113 -1.847 -6.622 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.194 -2.496 -4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.911 -0.868 -4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.143 -1.060 -4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.117 -3.311 -6.509 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.935 -1.876 -6.538 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.069 -2.272 -7.953 1.00 0.00 H new ATOM 725 N GLN A 48 2.134 1.931 -5.836 1.00 0.00 N ATOM 726 CA GLN A 48 3.330 2.718 -5.433 1.00 0.00 C ATOM 727 C GLN A 48 3.979 2.035 -4.233 1.00 0.00 C ATOM 728 O GLN A 48 5.105 1.584 -4.297 1.00 0.00 O ATOM 729 CB GLN A 48 2.916 4.143 -5.055 1.00 0.00 C ATOM 730 CG GLN A 48 4.082 4.849 -4.358 1.00 0.00 C ATOM 731 CD GLN A 48 4.096 6.327 -4.756 1.00 0.00 C ATOM 732 OE1 GLN A 48 4.796 6.716 -5.670 1.00 0.00 O ATOM 733 NE2 GLN A 48 3.347 7.174 -4.102 1.00 0.00 N ATOM 0 H GLN A 48 1.236 2.364 -5.623 1.00 0.00 H new ATOM 0 HA GLN A 48 4.036 2.768 -6.262 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.624 4.696 -5.947 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.047 4.118 -4.397 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.985 4.754 -3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.025 4.378 -4.636 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.759 6.848 -3.335 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.350 8.161 -4.359 1.00 0.00 H new ATOM 742 N ARG A 49 3.275 1.943 -3.141 1.00 0.00 N ATOM 743 CA ARG A 49 3.858 1.273 -1.945 1.00 0.00 C ATOM 744 C ARG A 49 2.741 0.644 -1.111 1.00 0.00 C ATOM 745 O ARG A 49 1.729 1.251 -0.853 1.00 0.00 O ATOM 746 CB ARG A 49 4.655 2.301 -1.122 1.00 0.00 C ATOM 747 CG ARG A 49 4.192 2.330 0.343 1.00 0.00 C ATOM 748 CD ARG A 49 5.063 3.315 1.125 1.00 0.00 C ATOM 749 NE ARG A 49 5.990 2.560 2.014 1.00 0.00 N ATOM 750 CZ ARG A 49 7.047 3.148 2.507 1.00 0.00 C ATOM 751 NH1 ARG A 49 7.292 4.397 2.221 1.00 0.00 N ATOM 752 NH2 ARG A 49 7.859 2.486 3.285 1.00 0.00 N ATOM 0 H ARG A 49 2.327 2.300 -3.024 1.00 0.00 H new ATOM 0 HA ARG A 49 4.537 0.479 -2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.717 2.058 -1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.537 3.291 -1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.145 2.627 0.400 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.265 1.334 0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.631 3.941 0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.436 3.981 1.717 1.00 0.00 H new ATOM 0 HE ARG A 49 5.799 1.583 2.238 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.658 4.915 1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.117 4.856 2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.668 1.509 3.508 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.684 2.945 3.670 1.00 0.00 H new ATOM 766 N ILE A 50 2.919 -0.567 -0.678 1.00 0.00 N ATOM 767 CA ILE A 50 1.862 -1.218 0.140 1.00 0.00 C ATOM 768 C ILE A 50 2.136 -0.989 1.613 1.00 0.00 C ATOM 769 O ILE A 50 3.268 -0.959 2.055 1.00 0.00 O ATOM 770 CB ILE A 50 1.848 -2.719 -0.108 1.00 0.00 C ATOM 771 CG1 ILE A 50 2.131 -2.985 -1.577 1.00 0.00 C ATOM 772 CG2 ILE A 50 0.484 -3.295 0.270 1.00 0.00 C ATOM 773 CD1 ILE A 50 1.884 -4.463 -1.891 1.00 0.00 C ATOM 0 H ILE A 50 3.748 -1.135 -0.853 1.00 0.00 H new ATOM 0 HA ILE A 50 0.902 -0.785 -0.141 1.00 0.00 H new ATOM 0 HB ILE A 50 2.614 -3.196 0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.491 -2.359 -2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.162 -2.721 -1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.480 -4.370 0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.288 -3.103 1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.290 -2.823 -0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.088 -4.650 -2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.542 -5.080 -1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.846 -4.713 -1.672 1.00 0.00 H new ATOM 785 N GLU A 51 1.099 -0.834 2.371 1.00 0.00 N ATOM 786 CA GLU A 51 1.262 -0.612 3.832 1.00 0.00 C ATOM 787 C GLU A 51 0.181 -1.375 4.584 1.00 0.00 C ATOM 788 O GLU A 51 -0.926 -1.532 4.114 1.00 0.00 O ATOM 789 CB GLU A 51 1.154 0.878 4.135 1.00 0.00 C ATOM 790 CG GLU A 51 2.133 1.620 3.236 1.00 0.00 C ATOM 791 CD GLU A 51 2.179 3.098 3.630 1.00 0.00 C ATOM 792 OE1 GLU A 51 1.282 3.823 3.234 1.00 0.00 O ATOM 793 OE2 GLU A 51 3.111 3.479 4.318 1.00 0.00 O ATOM 0 H GLU A 51 0.134 -0.851 2.042 1.00 0.00 H new ATOM 0 HA GLU A 51 2.241 -0.971 4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.137 1.228 3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.381 1.070 5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.126 1.180 3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.831 1.521 2.193 1.00 0.00 H new ATOM 800 N GLN A 52 0.499 -1.857 5.746 1.00 0.00 N ATOM 801 CA GLN A 52 -0.504 -2.623 6.536 1.00 0.00 C ATOM 802 C GLN A 52 -1.266 -1.671 7.457 1.00 0.00 C ATOM 803 O GLN A 52 -0.751 -0.655 7.882 1.00 0.00 O ATOM 804 CB GLN A 52 0.205 -3.701 7.364 1.00 0.00 C ATOM 805 CG GLN A 52 0.611 -3.137 8.728 1.00 0.00 C ATOM 806 CD GLN A 52 1.667 -4.046 9.359 1.00 0.00 C ATOM 807 OE1 GLN A 52 2.849 -3.777 9.271 1.00 0.00 O ATOM 808 NE2 GLN A 52 1.288 -5.119 9.998 1.00 0.00 N ATOM 0 H GLN A 52 1.413 -1.755 6.188 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.210 -3.104 5.858 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.454 -4.559 7.498 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.087 -4.057 6.832 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.006 -2.127 8.614 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.260 -3.067 9.379 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.296 -5.345 10.072 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.984 -5.732 10.423 1.00 0.00 H new ATOM 817 N CYS A 53 -2.492 -1.989 7.767 1.00 0.00 N ATOM 818 CA CYS A 53 -3.286 -1.100 8.656 1.00 0.00 C ATOM 819 C CYS A 53 -4.306 -1.930 9.436 1.00 0.00 C ATOM 820 O CYS A 53 -4.540 -3.085 9.138 1.00 0.00 O ATOM 821 CB CYS A 53 -4.016 -0.063 7.805 1.00 0.00 C ATOM 822 SG CYS A 53 -3.520 1.600 8.319 1.00 0.00 S ATOM 0 H CYS A 53 -2.977 -2.826 7.443 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.621 -0.597 9.358 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -3.783 -0.214 6.751 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.094 -0.182 7.914 1.00 0.00 H new ATOM 0 HG CYS A 53 -3.582 2.406 7.301 1.00 0.00 H new ATOM 827 N THR A 54 -4.917 -1.352 10.434 1.00 0.00 N ATOM 828 CA THR A 54 -5.923 -2.106 11.229 1.00 0.00 C ATOM 829 C THR A 54 -7.309 -1.908 10.612 1.00 0.00 C ATOM 830 O THR A 54 -7.516 -1.032 9.796 1.00 0.00 O ATOM 831 CB THR A 54 -5.928 -1.591 12.671 1.00 0.00 C ATOM 832 OG1 THR A 54 -4.848 -0.685 12.853 1.00 0.00 O ATOM 833 CG2 THR A 54 -5.775 -2.768 13.636 1.00 0.00 C ATOM 0 H THR A 54 -4.762 -0.389 10.732 1.00 0.00 H new ATOM 0 HA THR A 54 -5.669 -3.166 11.225 1.00 0.00 H new ATOM 0 HB THR A 54 -6.870 -1.080 12.871 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.972 0.093 12.271 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.779 -2.400 14.662 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.603 -3.463 13.497 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.834 -3.281 13.438 1.00 0.00 H new ATOM 841 N ARG A 55 -8.259 -2.716 10.989 1.00 0.00 N ATOM 842 CA ARG A 55 -9.627 -2.573 10.418 1.00 0.00 C ATOM 843 C ARG A 55 -10.171 -1.181 10.731 1.00 0.00 C ATOM 844 O ARG A 55 -10.726 -0.516 9.879 1.00 0.00 O ATOM 845 CB ARG A 55 -10.551 -3.631 11.027 1.00 0.00 C ATOM 846 CG ARG A 55 -10.592 -3.460 12.548 1.00 0.00 C ATOM 847 CD ARG A 55 -11.120 -4.743 13.193 1.00 0.00 C ATOM 848 NE ARG A 55 -11.340 -4.511 14.648 1.00 0.00 N ATOM 849 CZ ARG A 55 -11.903 -5.432 15.380 1.00 0.00 C ATOM 850 NH1 ARG A 55 -12.275 -6.560 14.839 1.00 0.00 N ATOM 851 NH2 ARG A 55 -12.095 -5.227 16.654 1.00 0.00 N ATOM 0 H ARG A 55 -8.148 -3.469 11.668 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.582 -2.709 9.338 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.554 -3.534 10.613 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.196 -4.629 10.772 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.595 -3.234 12.926 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.231 -2.618 12.813 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.053 -5.045 12.717 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.409 -5.556 13.047 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.050 -3.630 15.073 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.125 -6.722 13.843 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.715 -7.280 15.412 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.805 -4.346 17.078 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.535 -5.948 17.226 1.00 0.00 H new ATOM 865 N GLY A 56 -10.021 -0.734 11.943 1.00 0.00 N ATOM 866 CA GLY A 56 -10.533 0.616 12.302 1.00 0.00 C ATOM 867 C GLY A 56 -9.494 1.673 11.932 1.00 0.00 C ATOM 868 O GLY A 56 -9.526 2.783 12.428 1.00 0.00 O ATOM 0 H GLY A 56 -9.567 -1.243 12.701 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.469 0.812 11.778 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.749 0.662 13.369 1.00 0.00 H new ATOM 872 N SER A 57 -8.567 1.346 11.070 1.00 0.00 N ATOM 873 CA SER A 57 -7.533 2.346 10.689 1.00 0.00 C ATOM 874 C SER A 57 -8.077 3.218 9.562 1.00 0.00 C ATOM 875 O SER A 57 -7.611 4.316 9.337 1.00 0.00 O ATOM 876 CB SER A 57 -6.267 1.631 10.220 1.00 0.00 C ATOM 877 OG SER A 57 -5.789 0.790 11.260 1.00 0.00 O ATOM 0 H SER A 57 -8.483 0.436 10.617 1.00 0.00 H new ATOM 0 HA SER A 57 -7.290 2.967 11.551 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.478 1.041 9.328 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.504 2.360 9.947 1.00 0.00 H new ATOM 0 HG SER A 57 -6.333 0.923 12.064 1.00 0.00 H new ATOM 883 N LEU A 58 -9.063 2.728 8.859 1.00 0.00 N ATOM 884 CA LEU A 58 -9.658 3.510 7.742 1.00 0.00 C ATOM 885 C LEU A 58 -11.182 3.488 7.873 1.00 0.00 C ATOM 886 O LEU A 58 -11.721 2.805 8.722 1.00 0.00 O ATOM 887 CB LEU A 58 -9.246 2.917 6.388 1.00 0.00 C ATOM 888 CG LEU A 58 -7.938 2.120 6.503 1.00 0.00 C ATOM 889 CD1 LEU A 58 -7.636 1.460 5.156 1.00 0.00 C ATOM 890 CD2 LEU A 58 -6.786 3.065 6.859 1.00 0.00 C ATOM 0 H LEU A 58 -9.483 1.812 9.014 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.295 4.536 7.793 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.039 2.268 6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.123 3.719 5.660 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.043 1.363 7.280 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.709 0.892 5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.452 0.789 4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.532 2.228 4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.860 2.496 6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.681 3.820 6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.996 3.552 7.811 1.00 0.00 H new ATOM 902 N PHE A 59 -11.878 4.242 7.053 1.00 0.00 N ATOM 903 CA PHE A 59 -13.374 4.280 7.145 1.00 0.00 C ATOM 904 C PHE A 59 -14.002 3.768 5.847 1.00 0.00 C ATOM 905 O PHE A 59 -13.965 4.424 4.828 1.00 0.00 O ATOM 906 CB PHE A 59 -13.829 5.717 7.395 1.00 0.00 C ATOM 907 CG PHE A 59 -12.998 6.328 8.497 1.00 0.00 C ATOM 908 CD1 PHE A 59 -11.671 6.703 8.251 1.00 0.00 C ATOM 909 CD2 PHE A 59 -13.554 6.520 9.768 1.00 0.00 C ATOM 910 CE1 PHE A 59 -10.902 7.269 9.274 1.00 0.00 C ATOM 911 CE2 PHE A 59 -12.785 7.088 10.791 1.00 0.00 C ATOM 912 CZ PHE A 59 -11.459 7.462 10.544 1.00 0.00 C ATOM 0 H PHE A 59 -11.475 4.832 6.325 1.00 0.00 H new ATOM 0 HA PHE A 59 -13.693 3.640 7.967 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.729 6.305 6.482 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -14.884 5.732 7.670 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -11.241 6.555 7.271 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -14.577 6.230 9.959 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -9.879 7.557 9.084 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -13.215 7.238 11.770 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.865 7.899 11.333 1.00 0.00 H new ATOM 922 N MET A 60 -14.601 2.608 5.887 1.00 0.00 N ATOM 923 CA MET A 60 -15.246 2.046 4.664 1.00 0.00 C ATOM 924 C MET A 60 -16.525 2.827 4.335 1.00 0.00 C ATOM 925 O MET A 60 -17.240 3.264 5.214 1.00 0.00 O ATOM 926 CB MET A 60 -15.599 0.576 4.904 1.00 0.00 C ATOM 927 CG MET A 60 -14.317 -0.235 5.096 1.00 0.00 C ATOM 928 SD MET A 60 -13.862 -1.020 3.529 1.00 0.00 S ATOM 929 CE MET A 60 -12.856 -2.355 4.223 1.00 0.00 C ATOM 0 H MET A 60 -14.672 2.022 6.719 1.00 0.00 H new ATOM 0 HA MET A 60 -14.552 2.128 3.828 1.00 0.00 H new ATOM 0 HB2 MET A 60 -16.235 0.483 5.784 1.00 0.00 H new ATOM 0 HB3 MET A 60 -16.165 0.185 4.059 1.00 0.00 H new ATOM 0 HG2 MET A 60 -13.511 0.414 5.438 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.465 -0.993 5.866 1.00 0.00 H new ATOM 0 HE1 MET A 60 -12.880 -3.215 3.553 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.827 -2.013 4.338 1.00 0.00 H new ATOM 0 HE3 MET A 60 -13.254 -2.642 5.196 1.00 0.00 H new ATOM 939 N CYS A 61 -16.818 2.997 3.070 1.00 0.00 N ATOM 940 CA CYS A 61 -18.053 3.741 2.678 1.00 0.00 C ATOM 941 C CYS A 61 -19.185 2.748 2.408 1.00 0.00 C ATOM 942 O CYS A 61 -18.971 1.680 1.868 1.00 0.00 O ATOM 943 CB CYS A 61 -17.792 4.554 1.406 1.00 0.00 C ATOM 944 SG CYS A 61 -19.270 5.517 1.000 1.00 0.00 S ATOM 0 H CYS A 61 -16.255 2.653 2.292 1.00 0.00 H new ATOM 0 HA CYS A 61 -18.333 4.413 3.489 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -16.940 5.218 1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -17.539 3.889 0.581 1.00 0.00 H new ATOM 949 N SER A 62 -20.388 3.095 2.769 1.00 0.00 N ATOM 950 CA SER A 62 -21.534 2.176 2.521 1.00 0.00 C ATOM 951 C SER A 62 -22.041 2.388 1.094 1.00 0.00 C ATOM 952 O SER A 62 -22.737 1.560 0.541 1.00 0.00 O ATOM 953 CB SER A 62 -22.657 2.480 3.514 1.00 0.00 C ATOM 954 OG SER A 62 -23.905 2.455 2.833 1.00 0.00 O ATOM 0 H SER A 62 -20.628 3.975 3.225 1.00 0.00 H new ATOM 0 HA SER A 62 -21.213 1.142 2.648 1.00 0.00 H new ATOM 0 HB2 SER A 62 -22.654 1.746 4.320 1.00 0.00 H new ATOM 0 HB3 SER A 62 -22.499 3.456 3.972 1.00 0.00 H new ATOM 0 HG SER A 62 -24.627 2.648 3.467 1.00 0.00 H new ATOM 960 N ILE A 63 -21.692 3.494 0.495 1.00 0.00 N ATOM 961 CA ILE A 63 -22.145 3.768 -0.897 1.00 0.00 C ATOM 962 C ILE A 63 -21.067 3.305 -1.880 1.00 0.00 C ATOM 963 O ILE A 63 -20.155 4.037 -2.207 1.00 0.00 O ATOM 964 CB ILE A 63 -22.381 5.271 -1.064 1.00 0.00 C ATOM 965 CG1 ILE A 63 -23.337 5.755 0.030 1.00 0.00 C ATOM 966 CG2 ILE A 63 -22.995 5.547 -2.439 1.00 0.00 C ATOM 967 CD1 ILE A 63 -23.540 7.266 -0.095 1.00 0.00 C ATOM 0 H ILE A 63 -21.111 4.221 0.912 1.00 0.00 H new ATOM 0 HA ILE A 63 -23.072 3.230 -1.096 1.00 0.00 H new ATOM 0 HB ILE A 63 -21.432 5.800 -0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.294 5.241 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -22.933 5.513 1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -23.162 6.618 -2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -22.316 5.199 -3.217 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -23.945 5.020 -2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -24.221 7.607 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -22.581 7.772 0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -23.963 7.497 -1.073 1.00 0.00 H new ATOM 979 N VAL A 64 -21.162 2.092 -2.350 1.00 0.00 N ATOM 980 CA VAL A 64 -20.140 1.583 -3.309 1.00 0.00 C ATOM 981 C VAL A 64 -20.294 2.299 -4.652 1.00 0.00 C ATOM 982 O VAL A 64 -20.969 3.304 -4.757 1.00 0.00 O ATOM 983 CB VAL A 64 -20.334 0.078 -3.505 1.00 0.00 C ATOM 984 CG1 VAL A 64 -20.353 -0.616 -2.143 1.00 0.00 C ATOM 985 CG2 VAL A 64 -21.662 -0.173 -4.224 1.00 0.00 C ATOM 0 H VAL A 64 -21.902 1.431 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 64 -19.143 1.773 -2.913 1.00 0.00 H new ATOM 0 HB VAL A 64 -19.514 -0.320 -4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -20.491 -1.688 -2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -19.409 -0.436 -1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -21.173 -0.220 -1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -21.803 -1.245 -4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -22.481 0.225 -3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -21.649 0.322 -5.195 1.00 0.00 H new ATOM 995 N GLN A 65 -19.673 1.789 -5.681 1.00 0.00 N ATOM 996 CA GLN A 65 -19.781 2.441 -7.017 1.00 0.00 C ATOM 997 C GLN A 65 -19.000 3.756 -7.011 1.00 0.00 C ATOM 998 O GLN A 65 -19.424 4.738 -6.434 1.00 0.00 O ATOM 999 CB GLN A 65 -21.252 2.724 -7.333 1.00 0.00 C ATOM 1000 CG GLN A 65 -21.523 2.424 -8.809 1.00 0.00 C ATOM 1001 CD GLN A 65 -22.950 2.847 -9.163 1.00 0.00 C ATOM 1002 OE1 GLN A 65 -23.902 2.208 -8.762 1.00 0.00 O ATOM 1003 NE2 GLN A 65 -23.139 3.904 -9.903 1.00 0.00 N ATOM 0 H GLN A 65 -19.095 0.949 -5.654 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.368 1.777 -7.776 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -21.895 2.111 -6.702 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.489 3.765 -7.113 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -20.808 2.957 -9.436 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -21.389 1.360 -9.005 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -22.339 4.440 -10.240 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -24.086 4.194 -10.145 1.00 0.00 H new ATOM 1012 N GLY A 66 -17.861 3.783 -7.647 1.00 0.00 N ATOM 1013 CA GLY A 66 -17.053 5.035 -7.676 1.00 0.00 C ATOM 1014 C GLY A 66 -16.905 5.579 -6.255 1.00 0.00 C ATOM 1015 O GLY A 66 -17.365 6.660 -5.943 1.00 0.00 O ATOM 0 H GLY A 66 -17.455 2.993 -8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.071 4.837 -8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.535 5.777 -8.313 1.00 0.00 H new ATOM 1019 N CYS A 67 -16.266 4.840 -5.391 1.00 0.00 N ATOM 1020 CA CYS A 67 -16.087 5.315 -3.991 1.00 0.00 C ATOM 1021 C CYS A 67 -14.761 4.785 -3.443 1.00 0.00 C ATOM 1022 O CYS A 67 -14.550 3.592 -3.347 1.00 0.00 O ATOM 1023 CB CYS A 67 -17.240 4.803 -3.124 1.00 0.00 C ATOM 1024 SG CYS A 67 -17.276 5.719 -1.563 1.00 0.00 S ATOM 0 H CYS A 67 -15.860 3.927 -5.595 1.00 0.00 H new ATOM 0 HA CYS A 67 -16.080 6.405 -3.974 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -18.187 4.924 -3.651 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -17.117 3.737 -2.930 1.00 0.00 H new ATOM 1029 N LYS A 68 -13.865 5.662 -3.080 1.00 0.00 N ATOM 1030 CA LYS A 68 -12.553 5.208 -2.536 1.00 0.00 C ATOM 1031 C LYS A 68 -12.793 4.187 -1.421 1.00 0.00 C ATOM 1032 O LYS A 68 -11.886 3.514 -0.975 1.00 0.00 O ATOM 1033 CB LYS A 68 -11.794 6.414 -1.984 1.00 0.00 C ATOM 1034 CG LYS A 68 -10.461 6.565 -2.722 1.00 0.00 C ATOM 1035 CD LYS A 68 -9.755 7.843 -2.258 1.00 0.00 C ATOM 1036 CE LYS A 68 -8.734 8.275 -3.312 1.00 0.00 C ATOM 1037 NZ LYS A 68 -7.919 9.404 -2.780 1.00 0.00 N ATOM 0 H LYS A 68 -13.985 6.673 -3.137 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.964 4.743 -3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.391 7.318 -2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.617 6.287 -0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.828 5.698 -2.530 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.632 6.603 -3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.485 8.636 -2.097 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.257 7.670 -1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.088 7.437 -3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.245 8.580 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.949 9.336 -3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.340 10.307 -3.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.899 9.358 -1.741 1.00 0.00 H new ATOM 1051 N ARG A 69 -14.018 4.056 -0.985 1.00 0.00 N ATOM 1052 CA ARG A 69 -14.344 3.067 0.083 1.00 0.00 C ATOM 1053 C ARG A 69 -13.637 3.422 1.395 1.00 0.00 C ATOM 1054 O ARG A 69 -14.255 3.891 2.328 1.00 0.00 O ATOM 1055 CB ARG A 69 -13.928 1.663 -0.365 1.00 0.00 C ATOM 1056 CG ARG A 69 -15.163 0.762 -0.410 1.00 0.00 C ATOM 1057 CD ARG A 69 -14.740 -0.667 -0.754 1.00 0.00 C ATOM 1058 NE ARG A 69 -13.814 -1.177 0.295 1.00 0.00 N ATOM 1059 CZ ARG A 69 -13.050 -2.205 0.049 1.00 0.00 C ATOM 1060 NH1 ARG A 69 -13.105 -2.794 -1.115 1.00 0.00 N ATOM 1061 NH2 ARG A 69 -12.232 -2.646 0.964 1.00 0.00 N ATOM 0 H ARG A 69 -14.813 4.597 -1.326 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.420 3.092 0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.459 1.706 -1.348 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.189 1.253 0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -15.674 0.779 0.553 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.869 1.132 -1.153 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.617 -1.310 -0.824 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.251 -0.688 -1.728 1.00 0.00 H new ATOM 0 HE ARG A 69 -13.777 -0.722 1.207 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -13.745 -2.450 -1.831 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.508 -3.598 -1.308 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.189 -2.187 1.874 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.635 -3.450 0.770 1.00 0.00 H new ATOM 1075 N THR A 70 -12.358 3.179 1.486 1.00 0.00 N ATOM 1076 CA THR A 70 -11.636 3.483 2.757 1.00 0.00 C ATOM 1077 C THR A 70 -10.999 4.874 2.703 1.00 0.00 C ATOM 1078 O THR A 70 -10.753 5.420 1.647 1.00 0.00 O ATOM 1079 CB THR A 70 -10.547 2.441 2.996 1.00 0.00 C ATOM 1080 OG1 THR A 70 -9.857 2.185 1.780 1.00 0.00 O ATOM 1081 CG2 THR A 70 -11.177 1.149 3.515 1.00 0.00 C ATOM 0 H THR A 70 -11.783 2.785 0.741 1.00 0.00 H new ATOM 0 HA THR A 70 -12.358 3.458 3.573 1.00 0.00 H new ATOM 0 HB THR A 70 -9.842 2.818 3.737 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.157 1.517 1.935 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.397 0.407 3.685 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.698 1.349 4.451 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.886 0.769 2.779 1.00 0.00 H new ATOM 1089 N TYR A 71 -10.720 5.440 3.850 1.00 0.00 N ATOM 1090 CA TYR A 71 -10.088 6.786 3.900 1.00 0.00 C ATOM 1091 C TYR A 71 -9.273 6.896 5.188 1.00 0.00 C ATOM 1092 O TYR A 71 -9.296 6.017 6.020 1.00 0.00 O ATOM 1093 CB TYR A 71 -11.161 7.869 3.890 1.00 0.00 C ATOM 1094 CG TYR A 71 -12.007 7.728 2.646 1.00 0.00 C ATOM 1095 CD1 TYR A 71 -13.082 6.832 2.625 1.00 0.00 C ATOM 1096 CD2 TYR A 71 -11.709 8.490 1.512 1.00 0.00 C ATOM 1097 CE1 TYR A 71 -13.858 6.698 1.471 1.00 0.00 C ATOM 1098 CE2 TYR A 71 -12.487 8.357 0.357 1.00 0.00 C ATOM 1099 CZ TYR A 71 -13.563 7.459 0.337 1.00 0.00 C ATOM 1100 OH TYR A 71 -14.329 7.317 -0.801 1.00 0.00 O ATOM 0 H TYR A 71 -10.906 5.020 4.761 1.00 0.00 H new ATOM 0 HA TYR A 71 -9.444 6.918 3.031 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.786 7.785 4.779 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.698 8.855 3.918 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.312 6.244 3.501 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.879 9.181 1.528 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.687 6.006 1.455 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.259 8.946 -0.519 1.00 0.00 H new ATOM 0 HH TYR A 71 -15.100 6.744 -0.607 1.00 0.00 H new ATOM 1110 N LEU A 72 -8.538 7.958 5.345 1.00 0.00 N ATOM 1111 CA LEU A 72 -7.694 8.117 6.564 1.00 0.00 C ATOM 1112 C LEU A 72 -8.368 9.055 7.566 1.00 0.00 C ATOM 1113 O LEU A 72 -7.941 9.168 8.698 1.00 0.00 O ATOM 1114 CB LEU A 72 -6.331 8.698 6.171 1.00 0.00 C ATOM 1115 CG LEU A 72 -6.141 8.613 4.653 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -4.754 9.142 4.285 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -6.262 7.155 4.197 1.00 0.00 C ATOM 0 H LEU A 72 -8.484 8.729 4.679 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.564 7.139 7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.262 9.736 6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.535 8.152 6.676 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.907 9.212 4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.617 9.082 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.664 10.180 4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.992 8.541 4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.126 7.099 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.497 6.555 4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.249 6.773 4.459 1.00 0.00 H new ATOM 1129 N SER A 73 -9.409 9.733 7.175 1.00 0.00 N ATOM 1130 CA SER A 73 -10.075 10.657 8.138 1.00 0.00 C ATOM 1131 C SER A 73 -11.486 11.005 7.659 1.00 0.00 C ATOM 1132 O SER A 73 -11.719 11.231 6.488 1.00 0.00 O ATOM 1133 CB SER A 73 -9.251 11.937 8.262 1.00 0.00 C ATOM 1134 OG SER A 73 -9.720 12.692 9.371 1.00 0.00 O ATOM 0 H SER A 73 -9.824 9.691 6.244 1.00 0.00 H new ATOM 0 HA SER A 73 -10.146 10.164 9.108 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.197 11.693 8.393 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.331 12.525 7.347 1.00 0.00 H new ATOM 0 HG SER A 73 -9.192 13.513 9.454 1.00 0.00 H new ATOM 1140 N GLN A 74 -12.426 11.046 8.568 1.00 0.00 N ATOM 1141 CA GLN A 74 -13.831 11.380 8.195 1.00 0.00 C ATOM 1142 C GLN A 74 -13.840 12.549 7.209 1.00 0.00 C ATOM 1143 O GLN A 74 -14.709 12.661 6.368 1.00 0.00 O ATOM 1144 CB GLN A 74 -14.609 11.773 9.452 1.00 0.00 C ATOM 1145 CG GLN A 74 -16.036 11.228 9.361 1.00 0.00 C ATOM 1146 CD GLN A 74 -16.033 9.733 9.685 1.00 0.00 C ATOM 1147 OE1 GLN A 74 -15.745 8.874 8.745 1.00 0.00 O flip ATOM 1148 NE2 GLN A 74 -16.295 9.341 10.805 1.00 0.00 N flip ATOM 0 H GLN A 74 -12.278 10.861 9.560 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.297 10.511 7.730 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.113 11.377 10.338 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.629 12.858 9.556 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.685 11.760 10.056 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -16.437 11.393 8.361 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -16.520 10.011 11.540 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.290 8.342 11.010 1.00 0.00 H new ATOM 1157 N ARG A 75 -12.884 13.428 7.315 1.00 0.00 N ATOM 1158 CA ARG A 75 -12.830 14.602 6.398 1.00 0.00 C ATOM 1159 C ARG A 75 -12.560 14.147 4.963 1.00 0.00 C ATOM 1160 O ARG A 75 -13.016 14.751 4.012 1.00 0.00 O ATOM 1161 CB ARG A 75 -11.700 15.526 6.849 1.00 0.00 C ATOM 1162 CG ARG A 75 -11.758 16.833 6.060 1.00 0.00 C ATOM 1163 CD ARG A 75 -10.354 17.204 5.577 1.00 0.00 C ATOM 1164 NE ARG A 75 -10.352 18.616 5.099 1.00 0.00 N ATOM 1165 CZ ARG A 75 -10.885 18.916 3.947 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -11.420 17.980 3.212 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -10.883 20.153 3.530 1.00 0.00 N ATOM 0 H ARG A 75 -12.132 13.384 8.002 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.786 15.124 6.428 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.788 15.730 7.916 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.737 15.040 6.696 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.430 16.726 5.208 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.161 17.630 6.686 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.635 17.082 6.387 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.046 16.536 4.773 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.934 19.348 5.673 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.421 17.014 3.538 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.837 18.215 2.311 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.465 20.884 4.105 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.300 20.388 2.629 1.00 0.00 H new ATOM 1181 N ASP A 76 -11.823 13.092 4.798 1.00 0.00 N ATOM 1182 CA ASP A 76 -11.521 12.603 3.427 1.00 0.00 C ATOM 1183 C ASP A 76 -12.663 11.708 2.980 1.00 0.00 C ATOM 1184 O ASP A 76 -13.034 11.667 1.821 1.00 0.00 O ATOM 1185 CB ASP A 76 -10.217 11.802 3.442 1.00 0.00 C ATOM 1186 CG ASP A 76 -9.030 12.760 3.550 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -9.144 13.735 4.275 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -8.026 12.504 2.907 1.00 0.00 O ATOM 0 H ASP A 76 -11.414 12.543 5.555 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.410 13.444 2.743 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.214 11.107 4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.134 11.205 2.534 1.00 0.00 H new ATOM 1193 N LEU A 77 -13.241 11.006 3.906 1.00 0.00 N ATOM 1194 CA LEU A 77 -14.372 10.127 3.565 1.00 0.00 C ATOM 1195 C LEU A 77 -15.581 11.001 3.355 1.00 0.00 C ATOM 1196 O LEU A 77 -16.394 10.739 2.504 1.00 0.00 O ATOM 1197 CB LEU A 77 -14.622 9.138 4.709 1.00 0.00 C ATOM 1198 CG LEU A 77 -16.095 8.691 4.727 1.00 0.00 C ATOM 1199 CD1 LEU A 77 -16.199 7.328 5.410 1.00 0.00 C ATOM 1200 CD2 LEU A 77 -16.973 9.697 5.492 1.00 0.00 C ATOM 0 H LEU A 77 -12.973 11.007 4.890 1.00 0.00 H new ATOM 0 HA LEU A 77 -14.159 9.554 2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.974 8.269 4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.366 9.603 5.661 1.00 0.00 H new ATOM 0 HG LEU A 77 -16.447 8.633 3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.241 7.007 5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.603 6.599 4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.828 7.404 6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -18.008 9.354 5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.622 9.778 6.521 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.912 10.673 5.010 1.00 0.00 H new ATOM 1212 N GLN A 78 -15.690 12.056 4.105 1.00 0.00 N ATOM 1213 CA GLN A 78 -16.848 12.955 3.915 1.00 0.00 C ATOM 1214 C GLN A 78 -16.622 13.699 2.620 1.00 0.00 C ATOM 1215 O GLN A 78 -17.537 13.978 1.859 1.00 0.00 O ATOM 1216 CB GLN A 78 -16.953 13.940 5.082 1.00 0.00 C ATOM 1217 CG GLN A 78 -18.274 14.705 4.984 1.00 0.00 C ATOM 1218 CD GLN A 78 -19.431 13.778 5.363 1.00 0.00 C ATOM 1219 OE1 GLN A 78 -19.563 13.385 6.505 1.00 0.00 O ATOM 1220 NE2 GLN A 78 -20.280 13.407 4.444 1.00 0.00 N ATOM 0 H GLN A 78 -15.032 12.331 4.835 1.00 0.00 H new ATOM 0 HA GLN A 78 -17.778 12.387 3.879 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -16.900 13.405 6.030 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -16.115 14.636 5.061 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -18.255 15.570 5.647 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -18.413 15.082 3.971 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -20.170 13.737 3.485 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -21.054 12.788 4.685 1.00 0.00 H new ATOM 1229 N ALA A 79 -15.388 13.983 2.343 1.00 0.00 N ATOM 1230 CA ALA A 79 -15.067 14.669 1.082 1.00 0.00 C ATOM 1231 C ALA A 79 -15.292 13.675 -0.042 1.00 0.00 C ATOM 1232 O ALA A 79 -15.458 14.047 -1.187 1.00 0.00 O ATOM 1233 CB ALA A 79 -13.609 15.129 1.096 1.00 0.00 C ATOM 0 H ALA A 79 -14.589 13.767 2.940 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.696 15.549 0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.378 15.636 0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.452 15.815 1.928 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.956 14.264 1.211 1.00 0.00 H new ATOM 1239 N HIS A 80 -15.312 12.401 0.267 1.00 0.00 N ATOM 1240 CA HIS A 80 -15.541 11.418 -0.815 1.00 0.00 C ATOM 1241 C HIS A 80 -17.031 11.399 -1.150 1.00 0.00 C ATOM 1242 O HIS A 80 -17.424 11.353 -2.297 1.00 0.00 O ATOM 1243 CB HIS A 80 -15.039 10.038 -0.386 1.00 0.00 C ATOM 1244 CG HIS A 80 -16.176 9.144 0.031 1.00 0.00 C ATOM 1245 ND1 HIS A 80 -16.276 8.634 1.314 1.00 0.00 N ATOM 1246 CD2 HIS A 80 -17.242 8.625 -0.660 1.00 0.00 C ATOM 1247 CE1 HIS A 80 -17.365 7.845 1.353 1.00 0.00 C ATOM 1248 NE2 HIS A 80 -17.990 7.805 0.176 1.00 0.00 N ATOM 0 H HIS A 80 -15.182 12.014 1.202 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.985 11.700 -1.709 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -14.494 9.576 -1.209 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -14.337 10.146 0.441 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -15.640 8.822 2.089 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -17.466 8.824 -1.698 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.693 7.309 2.231 1.00 0.00 H new ATOM 1256 N ILE A 81 -17.866 11.456 -0.155 1.00 0.00 N ATOM 1257 CA ILE A 81 -19.333 11.462 -0.417 1.00 0.00 C ATOM 1258 C ILE A 81 -19.647 12.611 -1.353 1.00 0.00 C ATOM 1259 O ILE A 81 -20.254 12.445 -2.384 1.00 0.00 O ATOM 1260 CB ILE A 81 -20.156 11.714 0.861 1.00 0.00 C ATOM 1261 CG1 ILE A 81 -19.579 10.971 2.061 1.00 0.00 C ATOM 1262 CG2 ILE A 81 -21.608 11.275 0.643 1.00 0.00 C ATOM 1263 CD1 ILE A 81 -19.947 9.488 1.999 1.00 0.00 C ATOM 0 H ILE A 81 -17.599 11.499 0.829 1.00 0.00 H new ATOM 0 HA ILE A 81 -19.591 10.486 -0.829 1.00 0.00 H new ATOM 0 HB ILE A 81 -20.116 12.783 1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.495 11.082 2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -19.959 11.408 2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -22.183 11.456 1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -22.040 11.844 -0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -21.635 10.212 0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -19.527 8.973 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -21.032 9.382 2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -19.545 9.051 1.085 1.00 0.00 H new ATOM 1275 N ASN A 82 -19.248 13.788 -0.977 1.00 0.00 N ATOM 1276 CA ASN A 82 -19.546 14.968 -1.818 1.00 0.00 C ATOM 1277 C ASN A 82 -18.772 14.879 -3.120 1.00 0.00 C ATOM 1278 O ASN A 82 -19.172 15.438 -4.124 1.00 0.00 O ATOM 1279 CB ASN A 82 -19.138 16.239 -1.070 1.00 0.00 C ATOM 1280 CG ASN A 82 -19.416 16.065 0.425 1.00 0.00 C ATOM 1281 OD1 ASN A 82 -20.429 15.512 0.806 1.00 0.00 O ATOM 1282 ND2 ASN A 82 -18.553 16.516 1.294 1.00 0.00 N ATOM 0 H ASN A 82 -18.727 13.982 -0.122 1.00 0.00 H new ATOM 0 HA ASN A 82 -20.614 14.996 -2.035 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -18.080 16.445 -1.232 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -19.692 17.094 -1.456 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -18.729 16.404 2.293 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -17.703 16.980 0.975 1.00 0.00 H new ATOM 1289 N HIS A 83 -17.661 14.196 -3.122 1.00 0.00 N ATOM 1290 CA HIS A 83 -16.873 14.108 -4.378 1.00 0.00 C ATOM 1291 C HIS A 83 -17.296 12.902 -5.226 1.00 0.00 C ATOM 1292 O HIS A 83 -16.874 12.774 -6.358 1.00 0.00 O ATOM 1293 CB HIS A 83 -15.382 14.004 -4.062 1.00 0.00 C ATOM 1294 CG HIS A 83 -14.908 15.285 -3.435 1.00 0.00 C ATOM 1295 ND1 HIS A 83 -13.574 15.509 -3.126 1.00 0.00 N ATOM 1296 CD2 HIS A 83 -15.577 16.425 -3.055 1.00 0.00 C ATOM 1297 CE1 HIS A 83 -13.481 16.738 -2.586 1.00 0.00 C ATOM 1298 NE2 HIS A 83 -14.672 17.336 -2.522 1.00 0.00 N ATOM 0 H HIS A 83 -17.271 13.702 -2.319 1.00 0.00 H new ATOM 0 HA HIS A 83 -17.067 15.016 -4.949 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -15.201 13.168 -3.386 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.820 13.804 -4.974 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -16.640 16.587 -3.155 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.558 17.184 -2.247 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -14.876 18.267 -2.158 1.00 0.00 H new ATOM 1307 N ARG A 84 -18.074 11.993 -4.682 1.00 0.00 N ATOM 1308 CA ARG A 84 -18.452 10.772 -5.459 1.00 0.00 C ATOM 1309 C ARG A 84 -19.939 10.731 -5.820 1.00 0.00 C ATOM 1310 O ARG A 84 -20.288 10.576 -6.974 1.00 0.00 O ATOM 1311 CB ARG A 84 -18.093 9.541 -4.629 1.00 0.00 C ATOM 1312 CG ARG A 84 -16.572 9.490 -4.435 1.00 0.00 C ATOM 1313 CD ARG A 84 -15.873 9.192 -5.768 1.00 0.00 C ATOM 1314 NE ARG A 84 -14.809 8.173 -5.552 1.00 0.00 N ATOM 1315 CZ ARG A 84 -14.216 7.621 -6.575 1.00 0.00 C ATOM 1316 NH1 ARG A 84 -14.554 7.964 -7.788 1.00 0.00 N ATOM 1317 NH2 ARG A 84 -13.283 6.728 -6.386 1.00 0.00 N ATOM 0 H ARG A 84 -18.460 12.045 -3.739 1.00 0.00 H new ATOM 0 HA ARG A 84 -17.902 10.791 -6.400 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.594 9.581 -3.662 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -18.438 8.637 -5.130 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -16.218 10.440 -4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -16.318 8.722 -3.704 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -16.597 8.829 -6.498 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -15.440 10.105 -6.176 1.00 0.00 H new ATOM 0 HE ARG A 84 -14.544 7.906 -4.604 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -15.282 8.663 -7.936 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -14.091 7.533 -8.588 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.017 6.461 -5.438 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.820 6.297 -7.186 1.00 0.00 H new ATOM 1331 N HIS A 85 -20.810 10.844 -4.860 1.00 0.00 N ATOM 1332 CA HIS A 85 -22.272 10.785 -5.163 1.00 0.00 C ATOM 1333 C HIS A 85 -22.993 11.904 -4.421 1.00 0.00 C ATOM 1334 O HIS A 85 -24.030 12.377 -4.840 1.00 0.00 O ATOM 1335 CB HIS A 85 -22.829 9.432 -4.711 1.00 0.00 C ATOM 1336 CG HIS A 85 -21.853 8.770 -3.774 1.00 0.00 C ATOM 1337 ND1 HIS A 85 -21.285 9.187 -2.596 1.00 0.00 N flip ATOM 1338 CD2 HIS A 85 -21.348 7.500 -4.009 1.00 0.00 C flip ATOM 1339 CE1 HIS A 85 -20.438 8.193 -2.104 1.00 0.00 C flip ATOM 1340 NE2 HIS A 85 -20.514 7.201 -2.995 1.00 0.00 N flip ATOM 0 H HIS A 85 -20.576 10.975 -3.876 1.00 0.00 H new ATOM 0 HA HIS A 85 -22.426 10.905 -6.235 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -23.789 9.571 -4.214 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -23.008 8.794 -5.576 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -21.581 6.866 -4.852 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -19.849 8.220 -1.199 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -20.002 6.322 -2.917 1.00 0.00 H new ATOM 1348 N MET A 86 -22.446 12.330 -3.326 1.00 0.00 N ATOM 1349 CA MET A 86 -23.085 13.424 -2.546 1.00 0.00 C ATOM 1350 C MET A 86 -24.514 13.020 -2.177 1.00 0.00 C ATOM 1351 O MET A 86 -25.455 13.755 -2.403 1.00 0.00 O ATOM 1352 CB MET A 86 -23.115 14.697 -3.392 1.00 0.00 C ATOM 1353 CG MET A 86 -23.386 15.902 -2.491 1.00 0.00 C ATOM 1354 SD MET A 86 -24.575 17.002 -3.298 1.00 0.00 S ATOM 1355 CE MET A 86 -24.738 18.194 -1.947 1.00 0.00 C ATOM 0 H MET A 86 -21.578 11.968 -2.932 1.00 0.00 H new ATOM 0 HA MET A 86 -22.514 13.605 -1.635 1.00 0.00 H new ATOM 0 HB2 MET A 86 -22.165 14.824 -3.911 1.00 0.00 H new ATOM 0 HB3 MET A 86 -23.888 14.620 -4.157 1.00 0.00 H new ATOM 0 HG2 MET A 86 -23.776 15.570 -1.529 1.00 0.00 H new ATOM 0 HG3 MET A 86 -22.457 16.436 -2.291 1.00 0.00 H new ATOM 0 HE1 MET A 86 -25.794 18.348 -1.723 1.00 0.00 H new ATOM 0 HE2 MET A 86 -24.231 17.811 -1.061 1.00 0.00 H new ATOM 0 HE3 MET A 86 -24.287 19.142 -2.242 1.00 0.00 H new ATOM 1365 N ARG A 87 -24.682 11.855 -1.612 1.00 0.00 N ATOM 1366 CA ARG A 87 -26.049 11.400 -1.227 1.00 0.00 C ATOM 1367 C ARG A 87 -26.785 12.533 -0.510 1.00 0.00 C ATOM 1368 O ARG A 87 -27.998 12.556 -0.445 1.00 0.00 O ATOM 1369 CB ARG A 87 -25.938 10.193 -0.294 1.00 0.00 C ATOM 1370 CG ARG A 87 -25.223 10.605 0.995 1.00 0.00 C ATOM 1371 CD ARG A 87 -26.228 10.647 2.148 1.00 0.00 C ATOM 1372 NE ARG A 87 -26.612 9.257 2.522 1.00 0.00 N ATOM 1373 CZ ARG A 87 -27.617 9.052 3.329 1.00 0.00 C ATOM 1374 NH1 ARG A 87 -28.290 10.063 3.805 1.00 0.00 N ATOM 1375 NH2 ARG A 87 -27.949 7.833 3.658 1.00 0.00 N ATOM 0 H ARG A 87 -23.931 11.198 -1.400 1.00 0.00 H new ATOM 0 HA ARG A 87 -26.603 11.120 -2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -26.931 9.806 -0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -25.389 9.390 -0.786 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -24.424 9.899 1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -24.758 11.583 0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -25.792 11.159 3.006 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -27.112 11.213 1.854 1.00 0.00 H new ATOM 0 HE ARG A 87 -26.089 8.465 2.147 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -28.031 11.015 3.547 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -29.075 9.901 4.436 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -27.423 7.043 3.284 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -28.734 7.671 4.289 1.00 0.00 H new ATOM 1389 N ALA A 88 -26.061 13.476 0.030 1.00 0.00 N ATOM 1390 CA ALA A 88 -26.719 14.606 0.744 1.00 0.00 C ATOM 1391 C ALA A 88 -27.848 15.170 -0.123 1.00 0.00 C ATOM 1392 O ALA A 88 -27.628 15.613 -1.233 1.00 0.00 O ATOM 1393 CB ALA A 88 -25.691 15.704 1.019 1.00 0.00 C ATOM 0 H ALA A 88 -25.042 13.512 0.007 1.00 0.00 H new ATOM 0 HA ALA A 88 -27.130 14.248 1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -26.173 16.531 1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -24.887 15.303 1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -25.279 16.062 0.075 1.00 0.00 H new ATOM 1399 N GLY A 89 -29.053 15.156 0.375 1.00 0.00 N ATOM 1400 CA GLY A 89 -30.195 15.691 -0.420 1.00 0.00 C ATOM 1401 C GLY A 89 -30.365 17.184 -0.128 1.00 0.00 C ATOM 1402 O GLY A 89 -30.384 17.541 1.038 1.00 0.00 O ATOM 1403 OXT GLY A 89 -30.473 17.944 -1.076 1.00 0.00 O ATOM 0 H GLY A 89 -29.297 14.797 1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -30.016 15.536 -1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -31.110 15.154 -0.169 1.00 0.00 H new TER 1407 GLY A 89 HETATM 1408 ZN ZN A 101 -6.508 -10.836 -0.846 1.00 0.00 ZN HETATM 1409 ZN ZN A 102 -6.578 -0.905 -6.153 1.00 0.00 ZN HETATM 1410 ZN ZN A 103 -19.274 6.778 -1.011 1.00 0.00 ZN