USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 739 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 THR OG1 : rot 130:sc= 0 USER MOD Set 1.2: A 84 HIS : no HD1:sc= -10.7! C(o=-11!,f=-10!) USER MOD Set 2.1: A 68 CYS SG : rot -54:sc= 0.173 USER MOD Set 2.2: A 74 THR OG1 : rot -60:sc= -2.21! USER MOD Set 3.1: A 38 SER OG : rot 120:sc= -1.54! USER MOD Set 3.2: A 40 CYS SG : rot -94:sc= -1.04! USER MOD Set 3.3: A 42 SER OG : rot 62:sc= 1.47 USER MOD Set 4.1: A 23 GLN : amide:sc= -0.193 X(o=-0.22,f=-0.47) USER MOD Set 4.2: A 26 ASN : amide:sc= -0.0265 X(o=-0.22,f=-0.37) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 113:sc= 1.21 USER MOD Single : A 8 HIS : no HE2:sc= -9.75! C(o=-9.8!,f=-13!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 175:sc= 0.0271 (180deg=0.0126) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS :FLIP no HD1:sc= -2.85! C(o=-4.3!,f=-2.8!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 56 GLN :FLIP amide:sc= -4.22! C(o=-7!,f=-4.2!) USER MOD Single : A 57 MET CE :methyl 151:sc= -1.24 (180deg=-3.41!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.222 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN :FLIP amide:sc= -0.178 F(o=-0.71,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -19.650 -3.623 -3.846 1.00 0.00 N ATOM 2 CA ALA A 1 -18.320 -3.533 -3.178 1.00 0.00 C ATOM 3 C ALA A 1 -18.337 -2.424 -2.123 1.00 0.00 C ATOM 4 O ALA A 1 -17.676 -1.413 -2.257 1.00 0.00 O ATOM 5 CB ALA A 1 -17.334 -3.196 -4.297 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.629 -4.378 -4.561 1.00 0.00 H new ATOM 0 H2 ALA A 1 -20.381 -3.837 -3.137 1.00 0.00 H new ATOM 0 H3 ALA A 1 -19.869 -2.717 -4.307 1.00 0.00 H new ATOM 0 HA ALA A 1 -18.050 -4.457 -2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.329 -3.113 -3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.353 -3.985 -5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.616 -2.249 -4.758 1.00 0.00 H new ATOM 13 N LYS A 2 -19.099 -2.601 -1.080 1.00 0.00 N ATOM 14 CA LYS A 2 -19.173 -1.556 -0.021 1.00 0.00 C ATOM 15 C LYS A 2 -17.836 -1.451 0.717 1.00 0.00 C ATOM 16 O LYS A 2 -17.416 -0.381 1.109 1.00 0.00 O ATOM 17 CB LYS A 2 -20.279 -2.023 0.925 1.00 0.00 C ATOM 18 CG LYS A 2 -21.631 -1.935 0.213 1.00 0.00 C ATOM 19 CD LYS A 2 -21.897 -0.486 -0.205 1.00 0.00 C ATOM 20 CE LYS A 2 -23.329 -0.360 -0.728 1.00 0.00 C ATOM 21 NZ LYS A 2 -23.473 1.074 -1.105 1.00 0.00 N ATOM 0 H LYS A 2 -19.675 -3.426 -0.915 1.00 0.00 H new ATOM 0 HA LYS A 2 -19.383 -0.568 -0.432 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -20.090 -3.048 1.244 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.288 -1.406 1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -21.635 -2.584 -0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -22.425 -2.285 0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -21.749 0.182 0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.189 -0.183 -0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -23.496 -1.013 -1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -24.055 -0.643 0.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -24.431 1.241 -1.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -23.315 1.671 -0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -22.774 1.312 -1.837 1.00 0.00 H new ATOM 35 N THR A 3 -17.198 -2.561 0.967 1.00 0.00 N ATOM 36 CA THR A 3 -15.924 -2.528 1.747 1.00 0.00 C ATOM 37 C THR A 3 -14.812 -3.271 0.996 1.00 0.00 C ATOM 38 O THR A 3 -15.069 -4.126 0.172 1.00 0.00 O ATOM 39 CB THR A 3 -16.251 -3.234 3.064 1.00 0.00 C ATOM 40 OG1 THR A 3 -16.659 -4.567 2.796 1.00 0.00 O ATOM 41 CG2 THR A 3 -17.380 -2.487 3.777 1.00 0.00 C ATOM 0 H THR A 3 -17.501 -3.488 0.667 1.00 0.00 H new ATOM 0 HA THR A 3 -15.565 -1.511 1.905 1.00 0.00 H new ATOM 0 HB THR A 3 -15.366 -3.246 3.700 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.991 -5.191 3.150 1.00 0.00 H new ATOM 0 HG21 THR A 3 -17.613 -2.990 4.715 1.00 0.00 H new ATOM 0 HG22 THR A 3 -17.066 -1.463 3.982 1.00 0.00 H new ATOM 0 HG23 THR A 3 -18.266 -2.475 3.142 1.00 0.00 H new ATOM 49 N ALA A 4 -13.579 -2.929 1.261 1.00 0.00 N ATOM 50 CA ALA A 4 -12.443 -3.590 0.551 1.00 0.00 C ATOM 51 C ALA A 4 -11.284 -3.839 1.521 1.00 0.00 C ATOM 52 O ALA A 4 -11.069 -3.086 2.452 1.00 0.00 O ATOM 53 CB ALA A 4 -12.025 -2.593 -0.532 1.00 0.00 C ATOM 0 H ALA A 4 -13.308 -2.218 1.941 1.00 0.00 H new ATOM 0 HA ALA A 4 -12.723 -4.558 0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -11.192 -3.003 -1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -12.866 -2.408 -1.200 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.719 -1.656 -0.066 1.00 0.00 H new ATOM 59 N ALA A 5 -10.506 -4.864 1.287 1.00 0.00 N ATOM 60 CA ALA A 5 -9.328 -5.127 2.167 1.00 0.00 C ATOM 61 C ALA A 5 -8.072 -4.518 1.543 1.00 0.00 C ATOM 62 O ALA A 5 -7.912 -4.518 0.338 1.00 0.00 O ATOM 63 CB ALA A 5 -9.211 -6.650 2.234 1.00 0.00 C ATOM 0 H ALA A 5 -10.635 -5.530 0.525 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.442 -4.688 3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.365 -6.923 2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -10.126 -7.067 2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.058 -7.048 1.231 1.00 0.00 H new ATOM 69 N ALA A 6 -7.238 -3.893 2.331 1.00 0.00 N ATOM 70 CA ALA A 6 -6.077 -3.168 1.736 1.00 0.00 C ATOM 71 C ALA A 6 -4.867 -3.176 2.677 1.00 0.00 C ATOM 72 O ALA A 6 -4.933 -2.698 3.793 1.00 0.00 O ATOM 73 CB ALA A 6 -6.581 -1.739 1.530 1.00 0.00 C ATOM 0 H ALA A 6 -7.308 -3.853 3.348 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.742 -3.636 0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.787 -1.133 1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.440 -1.749 0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.875 -1.315 2.490 1.00 0.00 H new ATOM 79 N LEU A 7 -3.721 -3.530 2.159 1.00 0.00 N ATOM 80 CA LEU A 7 -2.455 -3.353 2.934 1.00 0.00 C ATOM 81 C LEU A 7 -1.680 -2.159 2.365 1.00 0.00 C ATOM 82 O LEU A 7 -1.776 -1.862 1.192 1.00 0.00 O ATOM 83 CB LEU A 7 -1.671 -4.649 2.722 1.00 0.00 C ATOM 84 CG LEU A 7 -2.506 -5.838 3.202 1.00 0.00 C ATOM 85 CD1 LEU A 7 -1.697 -7.126 3.038 1.00 0.00 C ATOM 86 CD2 LEU A 7 -2.874 -5.645 4.673 1.00 0.00 C ATOM 0 H LEU A 7 -3.605 -3.935 1.230 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.631 -3.161 3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.423 -4.768 1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.729 -4.609 3.268 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.418 -5.905 2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.290 -7.974 3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.439 -7.263 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.784 -7.060 3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.469 -6.493 5.014 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.964 -5.577 5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.452 -4.728 4.786 1.00 0.00 H new ATOM 98 N HIS A 8 -0.957 -1.436 3.181 1.00 0.00 N ATOM 99 CA HIS A 8 -0.247 -0.231 2.649 1.00 0.00 C ATOM 100 C HIS A 8 1.168 -0.120 3.224 1.00 0.00 C ATOM 101 O HIS A 8 1.348 0.074 4.409 1.00 0.00 O ATOM 102 CB HIS A 8 -1.093 0.966 3.095 1.00 0.00 C ATOM 103 CG HIS A 8 -2.456 0.882 2.466 1.00 0.00 C ATOM 104 ND1 HIS A 8 -2.885 1.790 1.511 1.00 0.00 N ATOM 105 CD2 HIS A 8 -3.497 0.005 2.644 1.00 0.00 C ATOM 106 CE1 HIS A 8 -4.134 1.443 1.153 1.00 0.00 C ATOM 107 NE2 HIS A 8 -4.556 0.361 1.814 1.00 0.00 N ATOM 0 H HIS A 8 -0.828 -1.622 4.176 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.138 -0.282 1.566 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.183 0.976 4.181 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.605 1.897 2.807 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -2.351 2.578 1.146 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.495 -0.834 3.325 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.724 1.974 0.421 1.00 0.00 H new ATOM 115 N ILE A 9 2.152 -0.032 2.371 1.00 0.00 N ATOM 116 CA ILE A 9 3.521 0.313 2.856 1.00 0.00 C ATOM 117 C ILE A 9 3.899 1.720 2.388 1.00 0.00 C ATOM 118 O ILE A 9 3.800 2.041 1.221 1.00 0.00 O ATOM 119 CB ILE A 9 4.458 -0.717 2.227 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.051 -2.122 2.674 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.893 -0.430 2.674 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.905 -3.159 1.940 1.00 0.00 C ATOM 0 H ILE A 9 2.070 -0.183 1.366 1.00 0.00 H new ATOM 0 HA ILE A 9 3.580 0.298 3.944 1.00 0.00 H new ATOM 0 HB ILE A 9 4.394 -0.655 1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.182 -2.224 3.751 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.995 -2.290 2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.566 -1.162 2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.181 0.571 2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.955 -0.494 3.760 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.615 -4.160 2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.752 -3.061 0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.957 -2.995 2.173 1.00 0.00 H new ATOM 134 N LEU A 10 4.358 2.551 3.282 1.00 0.00 N ATOM 135 CA LEU A 10 4.775 3.924 2.876 1.00 0.00 C ATOM 136 C LEU A 10 6.295 4.071 2.978 1.00 0.00 C ATOM 137 O LEU A 10 6.873 3.957 4.040 1.00 0.00 O ATOM 138 CB LEU A 10 4.069 4.867 3.858 1.00 0.00 C ATOM 139 CG LEU A 10 4.618 6.299 3.725 1.00 0.00 C ATOM 140 CD1 LEU A 10 5.891 6.436 4.560 1.00 0.00 C ATOM 141 CD2 LEU A 10 4.932 6.626 2.259 1.00 0.00 C ATOM 0 H LEU A 10 4.463 2.340 4.274 1.00 0.00 H new ATOM 0 HA LEU A 10 4.508 4.145 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.996 4.864 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.211 4.511 4.878 1.00 0.00 H new ATOM 0 HG LEU A 10 3.861 6.997 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.280 7.450 4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.664 6.230 5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.638 5.726 4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.319 7.643 2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.678 5.927 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.022 6.541 1.664 1.00 0.00 H new ATOM 153 N VAL A 11 6.938 4.367 1.882 1.00 0.00 N ATOM 154 CA VAL A 11 8.418 4.576 1.909 1.00 0.00 C ATOM 155 C VAL A 11 8.736 6.071 1.827 1.00 0.00 C ATOM 156 O VAL A 11 8.122 6.806 1.079 1.00 0.00 O ATOM 157 CB VAL A 11 8.964 3.844 0.677 1.00 0.00 C ATOM 158 CG1 VAL A 11 10.464 3.606 0.855 1.00 0.00 C ATOM 159 CG2 VAL A 11 8.252 2.498 0.514 1.00 0.00 C ATOM 0 H VAL A 11 6.503 4.474 0.965 1.00 0.00 H new ATOM 0 HA VAL A 11 8.866 4.198 2.828 1.00 0.00 H new ATOM 0 HB VAL A 11 8.789 4.452 -0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.856 3.086 -0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.974 4.563 0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.633 2.999 1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.644 1.983 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.422 1.887 1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.182 2.665 0.388 1.00 0.00 H new ATOM 169 N LYS A 12 9.644 6.537 2.640 1.00 0.00 N ATOM 170 CA LYS A 12 9.945 7.998 2.666 1.00 0.00 C ATOM 171 C LYS A 12 10.602 8.441 1.354 1.00 0.00 C ATOM 172 O LYS A 12 10.403 9.550 0.899 1.00 0.00 O ATOM 173 CB LYS A 12 10.908 8.183 3.840 1.00 0.00 C ATOM 174 CG LYS A 12 10.229 7.731 5.135 1.00 0.00 C ATOM 175 CD LYS A 12 9.112 8.713 5.496 1.00 0.00 C ATOM 176 CE LYS A 12 8.461 8.286 6.815 1.00 0.00 C ATOM 177 NZ LYS A 12 7.423 9.323 7.099 1.00 0.00 N ATOM 0 H LYS A 12 10.191 5.970 3.288 1.00 0.00 H new ATOM 0 HA LYS A 12 9.042 8.598 2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.817 7.605 3.673 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.205 9.229 3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.820 6.728 5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.959 7.681 5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.516 9.721 5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.366 8.739 4.702 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.014 7.296 6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.196 8.236 7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.937 9.093 7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.877 10.255 7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.731 9.344 6.323 1.00 0.00 H new ATOM 191 N GLU A 13 11.443 7.621 0.784 1.00 0.00 N ATOM 192 CA GLU A 13 12.174 8.050 -0.447 1.00 0.00 C ATOM 193 C GLU A 13 12.051 6.994 -1.551 1.00 0.00 C ATOM 194 O GLU A 13 11.900 5.816 -1.289 1.00 0.00 O ATOM 195 CB GLU A 13 13.630 8.199 -0.007 1.00 0.00 C ATOM 196 CG GLU A 13 14.093 6.909 0.673 1.00 0.00 C ATOM 197 CD GLU A 13 15.551 7.057 1.114 1.00 0.00 C ATOM 198 OE1 GLU A 13 16.181 8.016 0.699 1.00 0.00 O ATOM 199 OE2 GLU A 13 16.011 6.209 1.860 1.00 0.00 O ATOM 0 H GLU A 13 11.656 6.679 1.113 1.00 0.00 H new ATOM 0 HA GLU A 13 11.770 8.975 -0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.261 8.415 -0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.729 9.040 0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.462 6.693 1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.993 6.068 -0.013 1.00 0.00 H new ATOM 206 N GLU A 14 12.074 7.419 -2.787 1.00 0.00 N ATOM 207 CA GLU A 14 11.916 6.463 -3.923 1.00 0.00 C ATOM 208 C GLU A 14 13.025 5.406 -3.911 1.00 0.00 C ATOM 209 O GLU A 14 12.787 4.244 -4.175 1.00 0.00 O ATOM 210 CB GLU A 14 12.018 7.331 -5.176 1.00 0.00 C ATOM 211 CG GLU A 14 11.868 6.455 -6.420 1.00 0.00 C ATOM 212 CD GLU A 14 11.895 7.338 -7.670 1.00 0.00 C ATOM 213 OE1 GLU A 14 12.000 8.544 -7.516 1.00 0.00 O ATOM 214 OE2 GLU A 14 11.805 6.795 -8.758 1.00 0.00 O ATOM 0 H GLU A 14 12.196 8.394 -3.060 1.00 0.00 H new ATOM 0 HA GLU A 14 10.974 5.918 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.244 8.098 -5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.978 7.847 -5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.674 5.722 -6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.932 5.898 -6.375 1.00 0.00 H new ATOM 221 N LYS A 15 14.244 5.804 -3.664 1.00 0.00 N ATOM 222 CA LYS A 15 15.367 4.821 -3.705 1.00 0.00 C ATOM 223 C LYS A 15 15.079 3.648 -2.769 1.00 0.00 C ATOM 224 O LYS A 15 15.265 2.500 -3.122 1.00 0.00 O ATOM 225 CB LYS A 15 16.594 5.596 -3.227 1.00 0.00 C ATOM 226 CG LYS A 15 17.000 6.622 -4.286 1.00 0.00 C ATOM 227 CD LYS A 15 18.228 7.393 -3.798 1.00 0.00 C ATOM 228 CE LYS A 15 18.700 8.350 -4.892 1.00 0.00 C ATOM 229 NZ LYS A 15 20.082 7.895 -5.218 1.00 0.00 N ATOM 0 H LYS A 15 14.511 6.762 -3.437 1.00 0.00 H new ATOM 0 HA LYS A 15 15.511 4.405 -4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.374 6.099 -2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 15 17.419 4.909 -3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.222 6.121 -5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.176 7.310 -4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.984 7.950 -2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.027 6.698 -3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 15 18.051 8.304 -5.766 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.694 9.383 -4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.480 8.501 -5.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.677 7.956 -4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.054 6.910 -5.551 1.00 0.00 H new ATOM 243 N LEU A 16 14.574 3.921 -1.601 1.00 0.00 N ATOM 244 CA LEU A 16 14.214 2.815 -0.671 1.00 0.00 C ATOM 245 C LEU A 16 13.027 2.037 -1.244 1.00 0.00 C ATOM 246 O LEU A 16 13.011 0.822 -1.247 1.00 0.00 O ATOM 247 CB LEU A 16 13.837 3.505 0.640 1.00 0.00 C ATOM 248 CG LEU A 16 14.026 2.527 1.804 1.00 0.00 C ATOM 249 CD1 LEU A 16 14.317 3.313 3.084 1.00 0.00 C ATOM 250 CD2 LEU A 16 12.754 1.699 1.992 1.00 0.00 C ATOM 0 H LEU A 16 14.394 4.861 -1.249 1.00 0.00 H new ATOM 0 HA LEU A 16 15.025 2.102 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.457 4.389 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.802 3.844 0.600 1.00 0.00 H new ATOM 0 HG LEU A 16 14.861 1.861 1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.452 2.620 3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 16 15.225 3.901 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.482 3.979 3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.891 1.004 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.917 2.362 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.546 1.139 1.080 1.00 0.00 H new ATOM 262 N ALA A 17 12.080 2.730 -1.818 1.00 0.00 N ATOM 263 CA ALA A 17 10.949 2.031 -2.493 1.00 0.00 C ATOM 264 C ALA A 17 11.491 1.107 -3.586 1.00 0.00 C ATOM 265 O ALA A 17 11.181 -0.067 -3.628 1.00 0.00 O ATOM 266 CB ALA A 17 10.103 3.148 -3.104 1.00 0.00 C ATOM 0 H ALA A 17 12.041 3.749 -1.848 1.00 0.00 H new ATOM 0 HA ALA A 17 10.369 1.413 -1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.247 2.715 -3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.752 3.812 -2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.706 3.715 -3.813 1.00 0.00 H new ATOM 272 N LEU A 18 12.389 1.598 -4.397 1.00 0.00 N ATOM 273 CA LEU A 18 13.052 0.709 -5.393 1.00 0.00 C ATOM 274 C LEU A 18 13.786 -0.418 -4.666 1.00 0.00 C ATOM 275 O LEU A 18 13.669 -1.576 -5.015 1.00 0.00 O ATOM 276 CB LEU A 18 14.045 1.613 -6.129 1.00 0.00 C ATOM 277 CG LEU A 18 13.441 2.061 -7.463 1.00 0.00 C ATOM 278 CD1 LEU A 18 12.999 3.522 -7.361 1.00 0.00 C ATOM 279 CD2 LEU A 18 14.491 1.922 -8.568 1.00 0.00 C ATOM 0 H LEU A 18 12.691 2.572 -4.413 1.00 0.00 H new ATOM 0 HA LEU A 18 12.344 0.244 -6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.284 2.482 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.979 1.079 -6.302 1.00 0.00 H new ATOM 0 HG LEU A 18 12.578 1.438 -7.698 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.569 3.839 -8.311 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.252 3.622 -6.574 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.860 4.147 -7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.063 2.240 -9.519 1.00 0.00 H new ATOM 0 HD22 LEU A 18 15.353 2.545 -8.331 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.805 0.881 -8.642 1.00 0.00 H new ATOM 291 N ASP A 19 14.461 -0.095 -3.599 1.00 0.00 N ATOM 292 CA ASP A 19 15.111 -1.152 -2.773 1.00 0.00 C ATOM 293 C ASP A 19 14.053 -2.120 -2.239 1.00 0.00 C ATOM 294 O ASP A 19 14.189 -3.324 -2.332 1.00 0.00 O ATOM 295 CB ASP A 19 15.764 -0.392 -1.621 1.00 0.00 C ATOM 296 CG ASP A 19 16.694 -1.329 -0.849 1.00 0.00 C ATOM 297 OD1 ASP A 19 16.607 -2.528 -1.064 1.00 0.00 O ATOM 298 OD2 ASP A 19 17.480 -0.833 -0.059 1.00 0.00 O ATOM 0 H ASP A 19 14.591 0.859 -3.262 1.00 0.00 H new ATOM 0 HA ASP A 19 15.831 -1.743 -3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.326 0.459 -2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.999 0.007 -0.955 1.00 0.00 H new ATOM 303 N LEU A 20 12.970 -1.595 -1.735 1.00 0.00 N ATOM 304 CA LEU A 20 11.861 -2.460 -1.255 1.00 0.00 C ATOM 305 C LEU A 20 11.268 -3.245 -2.424 1.00 0.00 C ATOM 306 O LEU A 20 10.929 -4.406 -2.302 1.00 0.00 O ATOM 307 CB LEU A 20 10.850 -1.462 -0.683 1.00 0.00 C ATOM 308 CG LEU A 20 9.439 -2.064 -0.670 1.00 0.00 C ATOM 309 CD1 LEU A 20 9.335 -3.110 0.440 1.00 0.00 C ATOM 310 CD2 LEU A 20 8.422 -0.950 -0.420 1.00 0.00 C ATOM 0 H LEU A 20 12.807 -0.593 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 20 12.172 -3.201 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.141 -1.183 0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.856 -0.549 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 20 9.236 -2.540 -1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.331 -3.535 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.063 -3.901 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.536 -2.640 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.417 -1.371 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.628 -0.478 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.495 -0.206 -1.213 1.00 0.00 H new ATOM 322 N LEU A 21 11.057 -2.587 -3.525 1.00 0.00 N ATOM 323 CA LEU A 21 10.386 -3.255 -4.675 1.00 0.00 C ATOM 324 C LEU A 21 11.190 -4.476 -5.111 1.00 0.00 C ATOM 325 O LEU A 21 10.660 -5.553 -5.298 1.00 0.00 O ATOM 326 CB LEU A 21 10.365 -2.203 -5.781 1.00 0.00 C ATOM 327 CG LEU A 21 8.955 -1.629 -5.926 1.00 0.00 C ATOM 328 CD1 LEU A 21 8.483 -1.046 -4.586 1.00 0.00 C ATOM 329 CD2 LEU A 21 8.975 -0.528 -6.989 1.00 0.00 C ATOM 0 H LEU A 21 11.320 -1.614 -3.681 1.00 0.00 H new ATOM 0 HA LEU A 21 9.384 -3.606 -4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.070 -1.405 -5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.685 -2.647 -6.724 1.00 0.00 H new ATOM 0 HG LEU A 21 8.268 -2.421 -6.225 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.478 -0.640 -4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.473 -1.832 -3.831 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.162 -0.252 -4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.974 -0.112 -7.100 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.664 0.260 -6.684 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.302 -0.947 -7.941 1.00 0.00 H new ATOM 341 N GLU A 22 12.475 -4.318 -5.233 1.00 0.00 N ATOM 342 CA GLU A 22 13.340 -5.470 -5.609 1.00 0.00 C ATOM 343 C GLU A 22 13.268 -6.555 -4.533 1.00 0.00 C ATOM 344 O GLU A 22 13.265 -7.734 -4.824 1.00 0.00 O ATOM 345 CB GLU A 22 14.752 -4.895 -5.710 1.00 0.00 C ATOM 346 CG GLU A 22 14.840 -3.983 -6.935 1.00 0.00 C ATOM 347 CD GLU A 22 14.652 -4.814 -8.205 1.00 0.00 C ATOM 348 OE1 GLU A 22 15.445 -5.716 -8.423 1.00 0.00 O ATOM 349 OE2 GLU A 22 13.717 -4.536 -8.939 1.00 0.00 O ATOM 0 H GLU A 22 12.968 -3.437 -5.088 1.00 0.00 H new ATOM 0 HA GLU A 22 13.029 -5.934 -6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.994 -4.335 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.481 -5.702 -5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.077 -3.207 -6.879 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.806 -3.479 -6.957 1.00 0.00 H new ATOM 356 N GLN A 23 13.250 -6.165 -3.287 1.00 0.00 N ATOM 357 CA GLN A 23 13.225 -7.175 -2.192 1.00 0.00 C ATOM 358 C GLN A 23 11.975 -8.048 -2.316 1.00 0.00 C ATOM 359 O GLN A 23 12.029 -9.252 -2.154 1.00 0.00 O ATOM 360 CB GLN A 23 13.179 -6.353 -0.903 1.00 0.00 C ATOM 361 CG GLN A 23 13.199 -7.291 0.306 1.00 0.00 C ATOM 362 CD GLN A 23 14.534 -8.039 0.349 1.00 0.00 C ATOM 363 OE1 GLN A 23 15.583 -7.438 0.238 1.00 0.00 O ATOM 364 NE2 GLN A 23 14.537 -9.334 0.510 1.00 0.00 N ATOM 0 H GLN A 23 13.252 -5.192 -2.981 1.00 0.00 H new ATOM 0 HA GLN A 23 14.086 -7.843 -2.220 1.00 0.00 H new ATOM 0 HB2 GLN A 23 14.030 -5.673 -0.863 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.279 -5.738 -0.884 1.00 0.00 H new ATOM 0 HG2 GLN A 23 13.060 -6.721 1.224 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.374 -8.001 0.243 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.655 -9.838 0.603 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.421 -9.842 0.543 1.00 0.00 H new ATOM 373 N ILE A 24 10.862 -7.460 -2.655 1.00 0.00 N ATOM 374 CA ILE A 24 9.624 -8.264 -2.850 1.00 0.00 C ATOM 375 C ILE A 24 9.793 -9.211 -4.042 1.00 0.00 C ATOM 376 O ILE A 24 9.561 -10.399 -3.936 1.00 0.00 O ATOM 377 CB ILE A 24 8.531 -7.233 -3.122 1.00 0.00 C ATOM 378 CG1 ILE A 24 8.315 -6.388 -1.865 1.00 0.00 C ATOM 379 CG2 ILE A 24 7.228 -7.949 -3.488 1.00 0.00 C ATOM 380 CD1 ILE A 24 7.420 -5.193 -2.196 1.00 0.00 C ATOM 0 H ILE A 24 10.756 -6.457 -2.806 1.00 0.00 H new ATOM 0 HA ILE A 24 9.388 -8.888 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 24 8.832 -6.591 -3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.856 -6.993 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.273 -6.041 -1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.449 -7.211 -3.682 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.384 -8.555 -4.381 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.922 -8.592 -2.663 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.268 -4.593 -1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.896 -4.583 -2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.457 -5.550 -2.561 1.00 0.00 H new ATOM 392 N LYS A 25 10.288 -8.715 -5.145 1.00 0.00 N ATOM 393 CA LYS A 25 10.574 -9.618 -6.295 1.00 0.00 C ATOM 394 C LYS A 25 11.607 -10.667 -5.878 1.00 0.00 C ATOM 395 O LYS A 25 11.445 -11.847 -6.120 1.00 0.00 O ATOM 396 CB LYS A 25 11.146 -8.712 -7.388 1.00 0.00 C ATOM 397 CG LYS A 25 10.044 -7.803 -7.938 1.00 0.00 C ATOM 398 CD LYS A 25 10.629 -6.902 -9.030 1.00 0.00 C ATOM 399 CE LYS A 25 9.534 -5.989 -9.586 1.00 0.00 C ATOM 400 NZ LYS A 25 10.249 -4.750 -10.006 1.00 0.00 N ATOM 0 H LYS A 25 10.505 -7.730 -5.298 1.00 0.00 H new ATOM 0 HA LYS A 25 9.686 -10.149 -6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.960 -8.109 -6.984 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.566 -9.317 -8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.230 -8.404 -8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.623 -7.196 -7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.444 -6.303 -8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.050 -7.511 -9.830 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.021 -6.454 -10.428 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.778 -5.773 -8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.566 -4.071 -10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.723 -4.327 -9.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.958 -4.987 -10.729 1.00 0.00 H new ATOM 414 N ASN A 26 12.637 -10.249 -5.190 1.00 0.00 N ATOM 415 CA ASN A 26 13.645 -11.225 -4.683 1.00 0.00 C ATOM 416 C ASN A 26 12.980 -12.246 -3.767 1.00 0.00 C ATOM 417 O ASN A 26 13.053 -13.440 -3.987 1.00 0.00 O ATOM 418 CB ASN A 26 14.633 -10.388 -3.872 1.00 0.00 C ATOM 419 CG ASN A 26 15.655 -11.309 -3.204 1.00 0.00 C ATOM 420 OD1 ASN A 26 15.893 -11.211 -2.015 1.00 0.00 O ATOM 421 ND2 ASN A 26 16.276 -12.207 -3.920 1.00 0.00 N ATOM 0 H ASN A 26 12.823 -9.274 -4.957 1.00 0.00 H new ATOM 0 HA ASN A 26 14.123 -11.772 -5.496 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.140 -9.675 -4.522 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.101 -9.809 -3.117 1.00 0.00 H new ATOM 0 HD21 ASN A 26 16.959 -12.825 -3.482 1.00 0.00 H new ATOM 0 HD22 ASN A 26 16.078 -12.291 -4.917 1.00 0.00 H new ATOM 428 N GLY A 27 12.472 -11.787 -2.661 1.00 0.00 N ATOM 429 CA GLY A 27 11.966 -12.725 -1.630 1.00 0.00 C ATOM 430 C GLY A 27 10.436 -12.732 -1.638 1.00 0.00 C ATOM 431 O GLY A 27 9.817 -13.759 -1.443 1.00 0.00 O ATOM 0 H GLY A 27 12.386 -10.798 -2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.344 -13.729 -1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.332 -12.430 -0.647 1.00 0.00 H new ATOM 435 N ALA A 28 9.828 -11.580 -1.800 1.00 0.00 N ATOM 436 CA ALA A 28 8.333 -11.488 -1.756 1.00 0.00 C ATOM 437 C ALA A 28 7.850 -11.540 -0.307 1.00 0.00 C ATOM 438 O ALA A 28 7.890 -12.571 0.335 1.00 0.00 O ATOM 439 CB ALA A 28 7.798 -12.680 -2.556 1.00 0.00 C ATOM 0 H ALA A 28 10.307 -10.694 -1.962 1.00 0.00 H new ATOM 0 HA ALA A 28 7.976 -10.550 -2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.708 -12.659 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.161 -12.622 -3.582 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.144 -13.608 -2.101 1.00 0.00 H new ATOM 445 N ASP A 29 7.439 -10.426 0.226 1.00 0.00 N ATOM 446 CA ASP A 29 7.007 -10.396 1.651 1.00 0.00 C ATOM 447 C ASP A 29 6.466 -9.012 2.000 1.00 0.00 C ATOM 448 O ASP A 29 7.128 -8.210 2.626 1.00 0.00 O ATOM 449 CB ASP A 29 8.274 -10.701 2.448 1.00 0.00 C ATOM 450 CG ASP A 29 8.207 -12.131 2.989 1.00 0.00 C ATOM 451 OD1 ASP A 29 7.129 -12.543 3.386 1.00 0.00 O ATOM 452 OD2 ASP A 29 9.234 -12.789 2.998 1.00 0.00 O ATOM 0 H ASP A 29 7.383 -9.533 -0.263 1.00 0.00 H new ATOM 0 HA ASP A 29 6.212 -11.110 1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.152 -10.582 1.814 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.377 -9.994 3.271 1.00 0.00 H new ATOM 457 N PHE A 30 5.300 -8.702 1.517 1.00 0.00 N ATOM 458 CA PHE A 30 4.739 -7.339 1.721 1.00 0.00 C ATOM 459 C PHE A 30 4.588 -7.039 3.215 1.00 0.00 C ATOM 460 O PHE A 30 4.846 -5.941 3.666 1.00 0.00 O ATOM 461 CB PHE A 30 3.376 -7.393 1.037 1.00 0.00 C ATOM 462 CG PHE A 30 2.879 -5.991 0.780 1.00 0.00 C ATOM 463 CD1 PHE A 30 2.166 -5.306 1.774 1.00 0.00 C ATOM 464 CD2 PHE A 30 3.129 -5.376 -0.455 1.00 0.00 C ATOM 465 CE1 PHE A 30 1.704 -4.005 1.532 1.00 0.00 C ATOM 466 CE2 PHE A 30 2.667 -4.074 -0.697 1.00 0.00 C ATOM 467 CZ PHE A 30 1.954 -3.388 0.297 1.00 0.00 C ATOM 0 H PHE A 30 4.706 -9.338 0.985 1.00 0.00 H new ATOM 0 HA PHE A 30 5.378 -6.554 1.316 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.452 -7.940 0.097 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.665 -7.932 1.663 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.973 -5.780 2.725 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.678 -5.905 -1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.155 -3.477 2.297 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.860 -3.600 -1.648 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.598 -2.385 0.112 1.00 0.00 H new ATOM 477 N GLY A 31 4.112 -7.985 3.979 1.00 0.00 N ATOM 478 CA GLY A 31 3.875 -7.725 5.428 1.00 0.00 C ATOM 479 C GLY A 31 5.203 -7.452 6.141 1.00 0.00 C ATOM 480 O GLY A 31 5.330 -6.506 6.895 1.00 0.00 O ATOM 0 H GLY A 31 3.877 -8.926 3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.208 -6.871 5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.380 -8.583 5.883 1.00 0.00 H new ATOM 484 N LYS A 32 6.181 -8.297 5.952 1.00 0.00 N ATOM 485 CA LYS A 32 7.473 -8.106 6.676 1.00 0.00 C ATOM 486 C LYS A 32 8.150 -6.817 6.209 1.00 0.00 C ATOM 487 O LYS A 32 8.705 -6.073 6.994 1.00 0.00 O ATOM 488 CB LYS A 32 8.331 -9.314 6.297 1.00 0.00 C ATOM 489 CG LYS A 32 7.652 -10.602 6.767 1.00 0.00 C ATOM 490 CD LYS A 32 8.522 -11.800 6.381 1.00 0.00 C ATOM 491 CE LYS A 32 7.849 -13.093 6.848 1.00 0.00 C ATOM 492 NZ LYS A 32 8.372 -14.147 5.933 1.00 0.00 N ATOM 0 H LYS A 32 6.143 -9.106 5.332 1.00 0.00 H new ATOM 0 HA LYS A 32 7.329 -8.028 7.754 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.477 -9.343 5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.318 -9.227 6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.506 -10.577 7.847 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.665 -10.693 6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.668 -11.823 5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.509 -11.707 6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.094 -13.314 7.887 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.763 -13.019 6.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.024 -15.078 6.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.046 -13.958 4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.412 -14.142 5.956 1.00 0.00 H new ATOM 506 N LEU A 33 8.096 -6.538 4.937 1.00 0.00 N ATOM 507 CA LEU A 33 8.726 -5.292 4.422 1.00 0.00 C ATOM 508 C LEU A 33 8.009 -4.068 4.993 1.00 0.00 C ATOM 509 O LEU A 33 8.629 -3.093 5.364 1.00 0.00 O ATOM 510 CB LEU A 33 8.567 -5.359 2.902 1.00 0.00 C ATOM 511 CG LEU A 33 9.477 -6.458 2.346 1.00 0.00 C ATOM 512 CD1 LEU A 33 9.150 -6.696 0.870 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.938 -6.027 2.482 1.00 0.00 C ATOM 0 H LEU A 33 7.643 -7.119 4.232 1.00 0.00 H new ATOM 0 HA LEU A 33 9.774 -5.207 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.529 -5.565 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.823 -4.398 2.455 1.00 0.00 H new ATOM 0 HG LEU A 33 9.316 -7.379 2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.798 -7.478 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.109 -7.004 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.310 -5.775 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.586 -6.809 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.099 -5.105 1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.172 -5.859 3.533 1.00 0.00 H new ATOM 525 N ALA A 34 6.709 -4.119 5.088 1.00 0.00 N ATOM 526 CA ALA A 34 5.964 -2.963 5.660 1.00 0.00 C ATOM 527 C ALA A 34 6.469 -2.661 7.072 1.00 0.00 C ATOM 528 O ALA A 34 6.781 -1.535 7.399 1.00 0.00 O ATOM 529 CB ALA A 34 4.505 -3.419 5.706 1.00 0.00 C ATOM 0 H ALA A 34 6.132 -4.908 4.795 1.00 0.00 H new ATOM 0 HA ALA A 34 6.092 -2.055 5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.887 -2.621 6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.166 -3.657 4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.420 -4.304 6.336 1.00 0.00 H new ATOM 535 N LYS A 35 6.546 -3.656 7.912 1.00 0.00 N ATOM 536 CA LYS A 35 7.023 -3.415 9.303 1.00 0.00 C ATOM 537 C LYS A 35 8.448 -2.846 9.298 1.00 0.00 C ATOM 538 O LYS A 35 8.797 -2.023 10.120 1.00 0.00 O ATOM 539 CB LYS A 35 7.004 -4.791 9.969 1.00 0.00 C ATOM 540 CG LYS A 35 5.559 -5.273 10.099 1.00 0.00 C ATOM 541 CD LYS A 35 4.809 -4.376 11.083 1.00 0.00 C ATOM 542 CE LYS A 35 3.428 -4.969 11.366 1.00 0.00 C ATOM 543 NZ LYS A 35 3.618 -5.820 12.574 1.00 0.00 N ATOM 0 H LYS A 35 6.300 -4.622 7.697 1.00 0.00 H new ATOM 0 HA LYS A 35 6.399 -2.692 9.828 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.584 -5.501 9.379 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.471 -4.738 10.952 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.069 -5.253 9.126 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.539 -6.307 10.445 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.374 -4.284 12.011 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.708 -3.372 10.671 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.691 -4.186 11.546 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.069 -5.557 10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.713 -6.263 12.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.320 -6.560 12.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.953 -5.232 13.364 1.00 0.00 H new ATOM 557 N LYS A 36 9.309 -3.390 8.481 1.00 0.00 N ATOM 558 CA LYS A 36 10.749 -3.002 8.550 1.00 0.00 C ATOM 559 C LYS A 36 10.967 -1.567 8.054 1.00 0.00 C ATOM 560 O LYS A 36 11.782 -0.840 8.585 1.00 0.00 O ATOM 561 CB LYS A 36 11.459 -3.993 7.630 1.00 0.00 C ATOM 562 CG LYS A 36 11.350 -5.400 8.218 1.00 0.00 C ATOM 563 CD LYS A 36 12.060 -6.393 7.297 1.00 0.00 C ATOM 564 CE LYS A 36 11.952 -7.801 7.885 1.00 0.00 C ATOM 565 NZ LYS A 36 12.581 -8.689 6.866 1.00 0.00 N ATOM 0 H LYS A 36 9.079 -4.085 7.770 1.00 0.00 H new ATOM 0 HA LYS A 36 11.125 -3.030 9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.013 -3.967 6.636 1.00 0.00 H new ATOM 0 HB3 LYS A 36 12.507 -3.714 7.517 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.797 -5.426 9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.302 -5.678 8.332 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.613 -6.367 6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.108 -6.114 7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.468 -7.870 8.843 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.913 -8.077 8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.546 -9.675 7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.064 -8.606 5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.572 -8.406 6.723 1.00 0.00 H new ATOM 579 N HIS A 37 10.336 -1.193 6.974 1.00 0.00 N ATOM 580 CA HIS A 37 10.618 0.147 6.379 1.00 0.00 C ATOM 581 C HIS A 37 9.633 1.196 6.903 1.00 0.00 C ATOM 582 O HIS A 37 9.961 2.360 7.022 1.00 0.00 O ATOM 583 CB HIS A 37 10.439 -0.040 4.872 1.00 0.00 C ATOM 584 CG HIS A 37 11.597 -0.826 4.318 1.00 0.00 C ATOM 585 ND1 HIS A 37 12.944 -0.562 4.269 1.00 0.00 N flip ATOM 586 CD2 HIS A 37 11.430 -2.062 3.714 1.00 0.00 C flip ATOM 587 CE1 HIS A 37 13.604 -1.616 3.643 1.00 0.00 C flip ATOM 588 NE2 HIS A 37 12.646 -2.492 3.329 1.00 0.00 N flip ATOM 0 H HIS A 37 9.641 -1.753 6.480 1.00 0.00 H new ATOM 0 HA HIS A 37 11.617 0.499 6.637 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.503 -0.561 4.669 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.377 0.931 4.380 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.495 -2.585 3.577 1.00 0.00 H new ATOM 0 HE1 HIS A 37 14.663 -1.706 3.452 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.815 -3.379 2.855 1.00 0.00 H new ATOM 596 N SER A 38 8.405 0.818 7.117 1.00 0.00 N ATOM 597 CA SER A 38 7.378 1.821 7.513 1.00 0.00 C ATOM 598 C SER A 38 7.770 2.504 8.826 1.00 0.00 C ATOM 599 O SER A 38 7.818 3.715 8.911 1.00 0.00 O ATOM 600 CB SER A 38 6.094 1.012 7.692 1.00 0.00 C ATOM 601 OG SER A 38 5.015 1.890 7.970 1.00 0.00 O ATOM 0 H SER A 38 8.068 -0.141 7.035 1.00 0.00 H new ATOM 0 HA SER A 38 7.268 2.613 6.772 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.885 0.437 6.790 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.213 0.296 8.506 1.00 0.00 H new ATOM 0 HG SER A 38 4.330 1.797 7.275 1.00 0.00 H new ATOM 607 N ILE A 39 8.053 1.733 9.846 1.00 0.00 N ATOM 608 CA ILE A 39 8.445 2.326 11.161 1.00 0.00 C ATOM 609 C ILE A 39 7.623 3.586 11.454 1.00 0.00 C ATOM 610 O ILE A 39 8.125 4.556 11.985 1.00 0.00 O ATOM 611 CB ILE A 39 9.932 2.665 11.028 1.00 0.00 C ATOM 612 CG1 ILE A 39 10.489 3.042 12.403 1.00 0.00 C ATOM 613 CG2 ILE A 39 10.110 3.840 10.066 1.00 0.00 C ATOM 614 CD1 ILE A 39 12.006 2.843 12.413 1.00 0.00 C ATOM 0 H ILE A 39 8.029 0.714 9.824 1.00 0.00 H new ATOM 0 HA ILE A 39 8.261 1.638 11.986 1.00 0.00 H new ATOM 0 HB ILE A 39 10.468 1.799 10.639 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.246 4.079 12.633 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.026 2.428 13.175 1.00 0.00 H new ATOM 0 HG21 ILE A 39 11.170 4.078 9.974 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.712 3.572 9.087 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.575 4.709 10.450 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.402 3.112 13.392 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.237 1.799 12.202 1.00 0.00 H new ATOM 0 HD13 ILE A 39 12.461 3.476 11.652 1.00 0.00 H new ATOM 626 N CYS A 40 6.359 3.572 11.127 1.00 0.00 N ATOM 627 CA CYS A 40 5.504 4.762 11.402 1.00 0.00 C ATOM 628 C CYS A 40 4.248 4.334 12.172 1.00 0.00 C ATOM 629 O CYS A 40 3.928 3.163 12.229 1.00 0.00 O ATOM 630 CB CYS A 40 5.150 5.328 10.017 1.00 0.00 C ATOM 631 SG CYS A 40 3.853 4.330 9.237 1.00 0.00 S ATOM 0 H CYS A 40 5.882 2.788 10.682 1.00 0.00 H new ATOM 0 HA CYS A 40 6.005 5.509 12.017 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.814 6.360 10.114 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.038 5.340 9.385 1.00 0.00 H new ATOM 0 HG CYS A 40 4.398 3.436 8.466 1.00 0.00 H new ATOM 637 N PRO A 41 3.588 5.296 12.761 1.00 0.00 N ATOM 638 CA PRO A 41 2.373 5.004 13.556 1.00 0.00 C ATOM 639 C PRO A 41 1.386 4.175 12.728 1.00 0.00 C ATOM 640 O PRO A 41 0.667 3.346 13.249 1.00 0.00 O ATOM 641 CB PRO A 41 1.792 6.382 13.887 1.00 0.00 C ATOM 642 CG PRO A 41 2.592 7.373 13.092 1.00 0.00 C ATOM 643 CD PRO A 41 3.902 6.723 12.741 1.00 0.00 C ATOM 0 HA PRO A 41 2.585 4.424 14.454 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.736 6.433 13.624 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.865 6.589 14.955 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.054 7.663 12.189 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.758 8.282 13.670 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.259 7.042 11.762 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.681 6.973 13.462 1.00 0.00 H new ATOM 651 N SER A 42 1.425 4.319 11.432 1.00 0.00 N ATOM 652 CA SER A 42 0.577 3.458 10.560 1.00 0.00 C ATOM 653 C SER A 42 1.425 2.335 9.960 1.00 0.00 C ATOM 654 O SER A 42 1.001 1.632 9.070 1.00 0.00 O ATOM 655 CB SER A 42 0.052 4.383 9.462 1.00 0.00 C ATOM 656 OG SER A 42 0.997 5.415 9.217 1.00 0.00 O ATOM 0 H SER A 42 2.008 4.996 10.939 1.00 0.00 H new ATOM 0 HA SER A 42 -0.239 2.989 11.110 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.127 3.815 8.549 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.903 4.814 9.761 1.00 0.00 H new ATOM 0 HG SER A 42 1.837 5.021 8.901 1.00 0.00 H new ATOM 662 N GLY A 43 2.594 2.114 10.488 1.00 0.00 N ATOM 663 CA GLY A 43 3.420 0.980 9.997 1.00 0.00 C ATOM 664 C GLY A 43 2.866 -0.318 10.583 1.00 0.00 C ATOM 665 O GLY A 43 2.497 -1.229 9.870 1.00 0.00 O ATOM 0 H GLY A 43 3.012 2.668 11.236 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.400 0.942 8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.461 1.114 10.293 1.00 0.00 H new ATOM 669 N LYS A 44 2.755 -0.381 11.880 1.00 0.00 N ATOM 670 CA LYS A 44 2.166 -1.589 12.523 1.00 0.00 C ATOM 671 C LYS A 44 0.730 -1.803 12.033 1.00 0.00 C ATOM 672 O LYS A 44 0.289 -2.920 11.850 1.00 0.00 O ATOM 673 CB LYS A 44 2.186 -1.286 14.022 1.00 0.00 C ATOM 674 CG LYS A 44 1.631 -2.485 14.796 1.00 0.00 C ATOM 675 CD LYS A 44 1.851 -2.269 16.295 1.00 0.00 C ATOM 676 CE LYS A 44 0.786 -1.312 16.834 1.00 0.00 C ATOM 677 NZ LYS A 44 1.345 -0.801 18.118 1.00 0.00 N ATOM 0 H LYS A 44 3.047 0.354 12.524 1.00 0.00 H new ATOM 0 HA LYS A 44 2.719 -2.498 12.284 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.204 -1.071 14.346 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.590 -0.398 14.232 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.568 -2.606 14.587 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.126 -3.401 14.473 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.799 -3.222 16.822 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.846 -1.860 16.472 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.595 -0.498 16.134 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.163 -1.825 16.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.671 -0.137 18.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.510 -1.597 18.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.244 -0.312 17.935 1.00 0.00 H new ATOM 691 N ARG A 45 -0.027 -0.744 11.885 1.00 0.00 N ATOM 692 CA ARG A 45 -1.455 -0.903 11.486 1.00 0.00 C ATOM 693 C ARG A 45 -1.623 -0.678 9.974 1.00 0.00 C ATOM 694 O ARG A 45 -2.310 -1.422 9.302 1.00 0.00 O ATOM 695 CB ARG A 45 -2.203 0.161 12.302 1.00 0.00 C ATOM 696 CG ARG A 45 -3.550 0.480 11.650 1.00 0.00 C ATOM 697 CD ARG A 45 -4.506 -0.699 11.849 1.00 0.00 C ATOM 698 NE ARG A 45 -5.357 -0.307 13.007 1.00 0.00 N ATOM 699 CZ ARG A 45 -6.486 -0.924 13.234 1.00 0.00 C ATOM 700 NH1 ARG A 45 -6.878 -1.888 12.445 1.00 0.00 N ATOM 701 NH2 ARG A 45 -7.225 -0.575 14.250 1.00 0.00 N ATOM 0 H ARG A 45 0.282 0.218 12.023 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.838 -1.905 11.681 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.359 -0.195 13.320 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.601 1.067 12.370 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.974 1.383 12.089 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.414 0.676 10.586 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.108 -0.875 10.957 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.961 -1.621 12.053 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.057 0.447 13.626 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.302 -2.161 11.649 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.760 -2.368 12.625 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.921 0.179 14.866 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.107 -1.056 14.428 1.00 0.00 H new ATOM 715 N GLY A 46 -1.002 0.337 9.433 1.00 0.00 N ATOM 716 CA GLY A 46 -1.132 0.602 7.969 1.00 0.00 C ATOM 717 C GLY A 46 -0.600 -0.600 7.185 1.00 0.00 C ATOM 718 O GLY A 46 -1.130 -0.963 6.153 1.00 0.00 O ATOM 0 H GLY A 46 -0.410 0.994 9.941 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.176 0.784 7.713 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.576 1.500 7.700 1.00 0.00 H new ATOM 722 N GLY A 47 0.405 -1.259 7.700 1.00 0.00 N ATOM 723 CA GLY A 47 0.925 -2.483 7.020 1.00 0.00 C ATOM 724 C GLY A 47 -0.103 -3.615 7.126 1.00 0.00 C ATOM 725 O GLY A 47 0.091 -4.693 6.601 1.00 0.00 O ATOM 0 H GLY A 47 0.888 -1.003 8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.134 -2.267 5.972 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.866 -2.791 7.476 1.00 0.00 H new ATOM 729 N ASP A 48 -1.190 -3.380 7.809 1.00 0.00 N ATOM 730 CA ASP A 48 -2.227 -4.434 7.964 1.00 0.00 C ATOM 731 C ASP A 48 -3.501 -3.809 8.537 1.00 0.00 C ATOM 732 O ASP A 48 -3.939 -4.133 9.624 1.00 0.00 O ATOM 733 CB ASP A 48 -1.623 -5.436 8.946 1.00 0.00 C ATOM 734 CG ASP A 48 -1.192 -4.705 10.219 1.00 0.00 C ATOM 735 OD1 ASP A 48 -1.326 -3.493 10.258 1.00 0.00 O ATOM 736 OD2 ASP A 48 -0.734 -5.370 11.135 1.00 0.00 O ATOM 0 H ASP A 48 -1.404 -2.495 8.269 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.496 -4.910 7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.352 -6.210 9.187 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.767 -5.935 8.493 1.00 0.00 H new ATOM 741 N LEU A 49 -4.085 -2.895 7.807 1.00 0.00 N ATOM 742 CA LEU A 49 -5.319 -2.211 8.284 1.00 0.00 C ATOM 743 C LEU A 49 -6.501 -3.183 8.279 1.00 0.00 C ATOM 744 O LEU A 49 -7.440 -3.036 9.035 1.00 0.00 O ATOM 745 CB LEU A 49 -5.545 -1.062 7.292 1.00 0.00 C ATOM 746 CG LEU A 49 -4.476 0.015 7.504 1.00 0.00 C ATOM 747 CD1 LEU A 49 -4.112 0.650 6.159 1.00 0.00 C ATOM 748 CD2 LEU A 49 -5.023 1.097 8.437 1.00 0.00 C ATOM 0 H LEU A 49 -3.754 -2.591 6.891 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.223 -1.846 9.307 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.501 -1.437 6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.538 -0.636 7.433 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.589 -0.440 7.945 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.352 1.416 6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.725 -0.117 5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.000 1.103 5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.264 1.864 8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.910 1.547 7.991 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.286 0.651 9.396 1.00 0.00 H new ATOM 760 N GLY A 50 -6.486 -4.151 7.402 1.00 0.00 N ATOM 761 CA GLY A 50 -7.634 -5.094 7.319 1.00 0.00 C ATOM 762 C GLY A 50 -8.594 -4.627 6.223 1.00 0.00 C ATOM 763 O GLY A 50 -8.255 -4.605 5.057 1.00 0.00 O ATOM 0 H GLY A 50 -5.729 -4.328 6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.277 -6.101 7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.152 -5.140 8.277 1.00 0.00 H new ATOM 767 N GLU A 51 -9.814 -4.331 6.578 1.00 0.00 N ATOM 768 CA GLU A 51 -10.820 -3.959 5.540 1.00 0.00 C ATOM 769 C GLU A 51 -11.587 -2.698 5.963 1.00 0.00 C ATOM 770 O GLU A 51 -12.155 -2.640 7.035 1.00 0.00 O ATOM 771 CB GLU A 51 -11.757 -5.167 5.474 1.00 0.00 C ATOM 772 CG GLU A 51 -12.703 -5.026 4.282 1.00 0.00 C ATOM 773 CD GLU A 51 -13.634 -6.239 4.226 1.00 0.00 C ATOM 774 OE1 GLU A 51 -13.391 -7.182 4.961 1.00 0.00 O ATOM 775 OE2 GLU A 51 -14.575 -6.205 3.449 1.00 0.00 O ATOM 0 H GLU A 51 -10.158 -4.330 7.538 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.365 -3.733 4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.176 -6.085 5.382 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.331 -5.244 6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.286 -4.110 4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.131 -4.949 3.357 1.00 0.00 H new ATOM 782 N PHE A 52 -11.682 -1.723 5.093 1.00 0.00 N ATOM 783 CA PHE A 52 -12.495 -0.516 5.412 1.00 0.00 C ATOM 784 C PHE A 52 -13.504 -0.255 4.291 1.00 0.00 C ATOM 785 O PHE A 52 -13.657 -1.053 3.392 1.00 0.00 O ATOM 786 CB PHE A 52 -11.498 0.639 5.531 1.00 0.00 C ATOM 787 CG PHE A 52 -10.515 0.597 4.385 1.00 0.00 C ATOM 788 CD1 PHE A 52 -10.967 0.725 3.063 1.00 0.00 C ATOM 789 CD2 PHE A 52 -9.146 0.437 4.645 1.00 0.00 C ATOM 790 CE1 PHE A 52 -10.049 0.691 2.003 1.00 0.00 C ATOM 791 CE2 PHE A 52 -8.230 0.405 3.586 1.00 0.00 C ATOM 792 CZ PHE A 52 -8.681 0.531 2.264 1.00 0.00 C ATOM 0 H PHE A 52 -11.231 -1.713 4.178 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.065 -0.638 6.333 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.030 1.590 5.529 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -10.965 0.573 6.480 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -12.021 0.850 2.862 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.798 0.338 5.663 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.396 0.788 0.985 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.176 0.283 3.787 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.975 0.505 1.447 1.00 0.00 H new ATOM 802 N ARG A 53 -14.281 0.784 4.405 1.00 0.00 N ATOM 803 CA ARG A 53 -15.377 1.001 3.416 1.00 0.00 C ATOM 804 C ARG A 53 -14.790 1.226 2.016 1.00 0.00 C ATOM 805 O ARG A 53 -13.919 0.502 1.577 1.00 0.00 O ATOM 806 CB ARG A 53 -16.121 2.247 3.902 1.00 0.00 C ATOM 807 CG ARG A 53 -16.646 2.022 5.323 1.00 0.00 C ATOM 808 CD ARG A 53 -17.723 0.936 5.311 1.00 0.00 C ATOM 809 NE ARG A 53 -18.280 0.948 6.693 1.00 0.00 N ATOM 810 CZ ARG A 53 -19.117 1.884 7.057 1.00 0.00 C ATOM 811 NH1 ARG A 53 -19.495 2.797 6.203 1.00 0.00 N ATOM 812 NH2 ARG A 53 -19.577 1.905 8.278 1.00 0.00 N ATOM 0 H ARG A 53 -14.207 1.491 5.136 1.00 0.00 H new ATOM 0 HA ARG A 53 -16.043 0.141 3.344 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -15.454 3.109 3.884 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -16.950 2.471 3.230 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.828 1.728 5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -17.057 2.950 5.720 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -18.494 1.150 4.570 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -17.302 -0.038 5.061 1.00 0.00 H new ATOM 0 HE ARG A 53 -18.007 0.224 7.357 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -19.137 2.781 5.248 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -20.148 3.526 6.491 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -19.283 1.192 8.946 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -20.230 2.634 8.564 1.00 0.00 H new ATOM 826 N GLN A 54 -15.332 2.156 1.276 1.00 0.00 N ATOM 827 CA GLN A 54 -14.889 2.347 -0.134 1.00 0.00 C ATOM 828 C GLN A 54 -13.404 2.721 -0.204 1.00 0.00 C ATOM 829 O GLN A 54 -12.805 2.685 -1.260 1.00 0.00 O ATOM 830 CB GLN A 54 -15.750 3.498 -0.658 1.00 0.00 C ATOM 831 CG GLN A 54 -15.459 4.760 0.157 1.00 0.00 C ATOM 832 CD GLN A 54 -16.316 5.915 -0.362 1.00 0.00 C ATOM 833 OE1 GLN A 54 -17.239 5.709 -1.126 1.00 0.00 O ATOM 834 NE2 GLN A 54 -16.050 7.133 0.025 1.00 0.00 N ATOM 0 H GLN A 54 -16.065 2.793 1.589 1.00 0.00 H new ATOM 0 HA GLN A 54 -15.003 1.435 -0.720 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -15.538 3.675 -1.712 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -16.806 3.240 -0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -15.671 4.581 1.211 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -14.402 5.017 0.084 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -15.276 7.307 0.666 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.616 7.911 -0.314 1.00 0.00 H new ATOM 843 N GLY A 55 -12.834 3.207 0.868 1.00 0.00 N ATOM 844 CA GLY A 55 -11.431 3.717 0.774 1.00 0.00 C ATOM 845 C GLY A 55 -11.306 4.990 1.627 1.00 0.00 C ATOM 846 O GLY A 55 -11.751 6.044 1.216 1.00 0.00 O ATOM 0 H GLY A 55 -13.268 3.273 1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.730 2.959 1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.177 3.932 -0.264 1.00 0.00 H new ATOM 850 N GLN A 56 -10.969 4.869 2.889 1.00 0.00 N ATOM 851 CA GLN A 56 -11.151 6.040 3.796 1.00 0.00 C ATOM 852 C GLN A 56 -9.800 6.550 4.300 1.00 0.00 C ATOM 853 O GLN A 56 -9.598 7.737 4.461 1.00 0.00 O ATOM 854 CB GLN A 56 -11.992 5.512 4.971 1.00 0.00 C ATOM 855 CG GLN A 56 -12.957 4.419 4.490 1.00 0.00 C ATOM 856 CD GLN A 56 -14.230 4.452 5.323 1.00 0.00 C ATOM 857 OE1 GLN A 56 -14.448 3.505 6.183 1.00 0.00 O flip ATOM 858 NE2 GLN A 56 -15.037 5.351 5.189 1.00 0.00 N flip ATOM 0 H GLN A 56 -10.584 4.029 3.321 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.633 6.874 3.286 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.337 5.112 5.745 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.554 6.330 5.421 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.196 4.570 3.437 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.483 3.441 4.572 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.864 6.095 4.513 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.887 5.362 5.753 1.00 0.00 H new ATOM 867 N MET A 57 -8.930 5.660 4.685 1.00 0.00 N ATOM 868 CA MET A 57 -7.663 6.098 5.333 1.00 0.00 C ATOM 869 C MET A 57 -6.848 6.996 4.393 1.00 0.00 C ATOM 870 O MET A 57 -6.178 7.911 4.829 1.00 0.00 O ATOM 871 CB MET A 57 -6.903 4.807 5.629 1.00 0.00 C ATOM 872 CG MET A 57 -5.585 5.145 6.326 1.00 0.00 C ATOM 873 SD MET A 57 -4.569 3.654 6.449 1.00 0.00 S ATOM 874 CE MET A 57 -4.275 3.439 4.677 1.00 0.00 C ATOM 0 H MET A 57 -9.040 4.651 4.580 1.00 0.00 H new ATOM 0 HA MET A 57 -7.851 6.683 6.234 1.00 0.00 H new ATOM 0 HB2 MET A 57 -7.505 4.154 6.261 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.710 4.265 4.703 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.053 5.915 5.768 1.00 0.00 H new ATOM 0 HG3 MET A 57 -5.780 5.548 7.320 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.316 2.944 4.525 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.070 2.829 4.248 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.262 4.414 4.189 1.00 0.00 H new ATOM 884 N VAL A 58 -6.805 6.672 3.129 1.00 0.00 N ATOM 885 CA VAL A 58 -5.920 7.434 2.197 1.00 0.00 C ATOM 886 C VAL A 58 -6.567 7.538 0.809 1.00 0.00 C ATOM 887 O VAL A 58 -7.031 6.555 0.268 1.00 0.00 O ATOM 888 CB VAL A 58 -4.632 6.608 2.134 1.00 0.00 C ATOM 889 CG1 VAL A 58 -4.948 5.232 1.552 1.00 0.00 C ATOM 890 CG2 VAL A 58 -3.599 7.310 1.247 1.00 0.00 C ATOM 0 H VAL A 58 -7.341 5.917 2.701 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.740 8.456 2.532 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.223 6.502 3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.035 4.639 1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.676 4.727 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.359 5.347 0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.687 6.714 1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.001 7.423 0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.373 8.293 1.660 1.00 0.00 H new ATOM 900 N PRO A 59 -6.552 8.729 0.271 1.00 0.00 N ATOM 901 CA PRO A 59 -7.121 8.968 -1.082 1.00 0.00 C ATOM 902 C PRO A 59 -6.378 8.136 -2.133 1.00 0.00 C ATOM 903 O PRO A 59 -6.982 7.447 -2.931 1.00 0.00 O ATOM 904 CB PRO A 59 -6.899 10.461 -1.324 1.00 0.00 C ATOM 905 CG PRO A 59 -5.882 10.886 -0.308 1.00 0.00 C ATOM 906 CD PRO A 59 -6.013 9.954 0.864 1.00 0.00 C ATOM 0 HA PRO A 59 -8.171 8.685 -1.150 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.542 10.645 -2.337 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.828 11.020 -1.207 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.877 10.840 -0.727 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.052 11.918 -0.001 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.051 9.777 1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.680 10.358 1.625 1.00 0.00 H new ATOM 914 N ALA A 60 -5.074 8.220 -2.157 1.00 0.00 N ATOM 915 CA ALA A 60 -4.287 7.462 -3.176 1.00 0.00 C ATOM 916 C ALA A 60 -4.867 6.056 -3.354 1.00 0.00 C ATOM 917 O ALA A 60 -4.909 5.524 -4.445 1.00 0.00 O ATOM 918 CB ALA A 60 -2.871 7.388 -2.606 1.00 0.00 C ATOM 0 H ALA A 60 -4.518 8.782 -1.513 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.309 7.941 -4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.228 6.844 -3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.482 8.397 -2.466 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.891 6.870 -1.647 1.00 0.00 H new ATOM 924 N PHE A 61 -5.369 5.478 -2.300 1.00 0.00 N ATOM 925 CA PHE A 61 -6.008 4.137 -2.412 1.00 0.00 C ATOM 926 C PHE A 61 -7.193 4.190 -3.380 1.00 0.00 C ATOM 927 O PHE A 61 -7.447 3.257 -4.116 1.00 0.00 O ATOM 928 CB PHE A 61 -6.482 3.804 -0.999 1.00 0.00 C ATOM 929 CG PHE A 61 -7.375 2.588 -1.041 1.00 0.00 C ATOM 930 CD1 PHE A 61 -6.813 1.305 -1.091 1.00 0.00 C ATOM 931 CD2 PHE A 61 -8.768 2.744 -1.028 1.00 0.00 C ATOM 932 CE1 PHE A 61 -7.644 0.178 -1.128 1.00 0.00 C ATOM 933 CE2 PHE A 61 -9.600 1.616 -1.066 1.00 0.00 C ATOM 934 CZ PHE A 61 -9.038 0.333 -1.115 1.00 0.00 C ATOM 0 H PHE A 61 -5.365 5.878 -1.362 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.320 3.385 -2.798 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.625 3.617 -0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.023 4.651 -0.576 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.740 1.185 -1.101 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.200 3.733 -0.989 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.211 -0.811 -1.167 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -10.673 1.736 -1.058 1.00 0.00 H new ATOM 0 HZ PHE A 61 -9.678 -0.536 -1.143 1.00 0.00 H new ATOM 944 N ASP A 62 -7.960 5.244 -3.338 1.00 0.00 N ATOM 945 CA ASP A 62 -9.172 5.318 -4.202 1.00 0.00 C ATOM 946 C ASP A 62 -8.776 5.222 -5.676 1.00 0.00 C ATOM 947 O ASP A 62 -9.324 4.439 -6.425 1.00 0.00 O ATOM 948 CB ASP A 62 -9.785 6.687 -3.900 1.00 0.00 C ATOM 949 CG ASP A 62 -11.055 6.873 -4.732 1.00 0.00 C ATOM 950 OD1 ASP A 62 -10.935 7.019 -5.937 1.00 0.00 O ATOM 951 OD2 ASP A 62 -12.127 6.867 -4.149 1.00 0.00 O ATOM 0 H ASP A 62 -7.800 6.057 -2.743 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.871 4.504 -4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.018 6.766 -2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.069 7.476 -4.129 1.00 0.00 H new ATOM 956 N LYS A 63 -7.811 5.992 -6.094 1.00 0.00 N ATOM 957 CA LYS A 63 -7.366 5.913 -7.512 1.00 0.00 C ATOM 958 C LYS A 63 -6.868 4.498 -7.833 1.00 0.00 C ATOM 959 O LYS A 63 -7.196 3.931 -8.856 1.00 0.00 O ATOM 960 CB LYS A 63 -6.225 6.926 -7.624 1.00 0.00 C ATOM 961 CG LYS A 63 -5.700 6.949 -9.060 1.00 0.00 C ATOM 962 CD LYS A 63 -6.831 7.360 -10.007 1.00 0.00 C ATOM 963 CE LYS A 63 -6.304 7.413 -11.442 1.00 0.00 C ATOM 964 NZ LYS A 63 -7.503 7.188 -12.296 1.00 0.00 N ATOM 0 H LYS A 63 -7.313 6.670 -5.517 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.172 6.130 -8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.576 7.918 -7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.422 6.662 -6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.868 7.648 -9.144 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.319 5.966 -9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.654 6.649 -9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.226 8.334 -9.717 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.840 8.375 -11.658 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.547 6.648 -11.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.225 7.210 -13.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.920 6.262 -12.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.203 7.935 -12.115 1.00 0.00 H new ATOM 978 N VAL A 64 -5.998 3.965 -7.014 1.00 0.00 N ATOM 979 CA VAL A 64 -5.389 2.636 -7.330 1.00 0.00 C ATOM 980 C VAL A 64 -6.358 1.486 -7.028 1.00 0.00 C ATOM 981 O VAL A 64 -6.517 0.589 -7.831 1.00 0.00 O ATOM 982 CB VAL A 64 -4.140 2.539 -6.448 1.00 0.00 C ATOM 983 CG1 VAL A 64 -4.530 2.656 -4.971 1.00 0.00 C ATOM 984 CG2 VAL A 64 -3.456 1.191 -6.683 1.00 0.00 C ATOM 0 H VAL A 64 -5.683 4.390 -6.142 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.148 2.555 -8.390 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.459 3.350 -6.705 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.636 2.586 -4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.017 3.616 -4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.216 1.850 -4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.567 1.120 -6.056 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.144 0.385 -6.429 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.169 1.107 -7.731 1.00 0.00 H new ATOM 994 N VAL A 65 -7.080 1.534 -5.940 1.00 0.00 N ATOM 995 CA VAL A 65 -8.101 0.471 -5.708 1.00 0.00 C ATOM 996 C VAL A 65 -9.067 0.427 -6.899 1.00 0.00 C ATOM 997 O VAL A 65 -9.598 -0.610 -7.245 1.00 0.00 O ATOM 998 CB VAL A 65 -8.821 0.845 -4.403 1.00 0.00 C ATOM 999 CG1 VAL A 65 -9.929 1.866 -4.673 1.00 0.00 C ATOM 1000 CG2 VAL A 65 -9.440 -0.414 -3.795 1.00 0.00 C ATOM 0 H VAL A 65 -7.010 2.248 -5.215 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.658 -0.521 -5.620 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.098 1.283 -3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.427 2.118 -3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.496 2.767 -5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.654 1.441 -5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.953 -0.156 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.154 -0.844 -4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.655 -1.141 -3.585 1.00 0.00 H new ATOM 1010 N PHE A 66 -9.232 1.536 -7.571 1.00 0.00 N ATOM 1011 CA PHE A 66 -10.086 1.553 -8.792 1.00 0.00 C ATOM 1012 C PHE A 66 -9.216 1.354 -10.039 1.00 0.00 C ATOM 1013 O PHE A 66 -9.709 1.165 -11.133 1.00 0.00 O ATOM 1014 CB PHE A 66 -10.731 2.940 -8.798 1.00 0.00 C ATOM 1015 CG PHE A 66 -11.645 3.061 -9.994 1.00 0.00 C ATOM 1016 CD1 PHE A 66 -12.991 2.682 -9.888 1.00 0.00 C ATOM 1017 CD2 PHE A 66 -11.146 3.544 -11.212 1.00 0.00 C ATOM 1018 CE1 PHE A 66 -13.838 2.787 -11.001 1.00 0.00 C ATOM 1019 CE2 PHE A 66 -11.993 3.650 -12.325 1.00 0.00 C ATOM 1020 CZ PHE A 66 -13.339 3.271 -12.218 1.00 0.00 C ATOM 0 H PHE A 66 -8.811 2.432 -7.325 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.832 0.758 -8.794 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -11.295 3.095 -7.878 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.962 3.711 -8.835 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -13.375 2.309 -8.950 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.109 3.835 -11.293 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -14.875 2.495 -10.920 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -11.609 4.023 -13.263 1.00 0.00 H new ATOM 0 HZ PHE A 66 -13.992 3.352 -13.074 1.00 0.00 H new ATOM 1030 N SER A 67 -7.923 1.361 -9.866 1.00 0.00 N ATOM 1031 CA SER A 67 -7.000 1.139 -11.011 1.00 0.00 C ATOM 1032 C SER A 67 -6.624 -0.345 -11.099 1.00 0.00 C ATOM 1033 O SER A 67 -6.942 -1.022 -12.057 1.00 0.00 O ATOM 1034 CB SER A 67 -5.768 1.987 -10.692 1.00 0.00 C ATOM 1035 OG SER A 67 -4.955 2.096 -11.851 1.00 0.00 O ATOM 0 H SER A 67 -7.463 1.513 -8.969 1.00 0.00 H new ATOM 0 HA SER A 67 -7.447 1.413 -11.967 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.073 2.977 -10.354 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.202 1.533 -9.879 1.00 0.00 H new ATOM 0 HG SER A 67 -4.166 2.641 -11.647 1.00 0.00 H new ATOM 1041 N CYS A 68 -5.985 -0.863 -10.085 1.00 0.00 N ATOM 1042 CA CYS A 68 -5.629 -2.314 -10.081 1.00 0.00 C ATOM 1043 C CYS A 68 -6.885 -3.172 -9.898 1.00 0.00 C ATOM 1044 O CYS A 68 -7.873 -2.719 -9.356 1.00 0.00 O ATOM 1045 CB CYS A 68 -4.688 -2.481 -8.890 1.00 0.00 C ATOM 1046 SG CYS A 68 -5.545 -1.997 -7.372 1.00 0.00 S ATOM 0 H CYS A 68 -5.693 -0.344 -9.257 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.168 -2.629 -11.017 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.355 -3.516 -8.818 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.797 -1.869 -9.028 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.026 -0.797 -7.509 1.00 0.00 H new ATOM 1052 N PRO A 69 -6.793 -4.397 -10.344 1.00 0.00 N ATOM 1053 CA PRO A 69 -7.924 -5.343 -10.214 1.00 0.00 C ATOM 1054 C PRO A 69 -7.947 -5.975 -8.817 1.00 0.00 C ATOM 1055 O PRO A 69 -7.564 -7.111 -8.647 1.00 0.00 O ATOM 1056 CB PRO A 69 -7.628 -6.397 -11.272 1.00 0.00 C ATOM 1057 CG PRO A 69 -6.144 -6.347 -11.492 1.00 0.00 C ATOM 1058 CD PRO A 69 -5.640 -5.006 -11.011 1.00 0.00 C ATOM 0 HA PRO A 69 -8.894 -4.864 -10.346 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -7.941 -7.386 -10.937 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.168 -6.187 -12.195 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.652 -7.155 -10.950 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.911 -6.484 -12.548 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.800 -5.120 -10.326 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.292 -4.392 -11.842 1.00 0.00 H new ATOM 1066 N VAL A 70 -8.451 -5.246 -7.847 1.00 0.00 N ATOM 1067 CA VAL A 70 -8.587 -5.757 -6.437 1.00 0.00 C ATOM 1068 C VAL A 70 -7.674 -6.944 -6.143 1.00 0.00 C ATOM 1069 O VAL A 70 -8.081 -7.922 -5.551 1.00 0.00 O ATOM 1070 CB VAL A 70 -10.048 -6.174 -6.305 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -10.326 -7.382 -7.203 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -10.336 -6.550 -4.851 1.00 0.00 C ATOM 0 H VAL A 70 -8.784 -4.290 -7.976 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.295 -4.985 -5.725 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.688 -5.345 -6.607 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.371 -7.676 -7.105 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.119 -7.119 -8.240 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.686 -8.212 -6.904 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.380 -6.849 -4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.692 -7.378 -4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.142 -5.692 -4.208 1.00 0.00 H new ATOM 1082 N LEU A 71 -6.435 -6.843 -6.511 1.00 0.00 N ATOM 1083 CA LEU A 71 -5.479 -7.954 -6.218 1.00 0.00 C ATOM 1084 C LEU A 71 -4.029 -7.508 -6.445 1.00 0.00 C ATOM 1085 O LEU A 71 -3.128 -7.943 -5.755 1.00 0.00 O ATOM 1086 CB LEU A 71 -5.843 -9.065 -7.206 1.00 0.00 C ATOM 1087 CG LEU A 71 -6.906 -9.977 -6.591 1.00 0.00 C ATOM 1088 CD1 LEU A 71 -8.241 -9.760 -7.308 1.00 0.00 C ATOM 1089 CD2 LEU A 71 -6.477 -11.438 -6.746 1.00 0.00 C ATOM 0 H LEU A 71 -6.036 -6.043 -7.002 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.550 -8.277 -5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.215 -8.631 -8.134 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.955 -9.645 -7.459 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.018 -9.741 -5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.999 -10.410 -6.870 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.548 -8.720 -7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.128 -9.996 -8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.234 -12.088 -6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.365 -11.674 -7.804 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.526 -11.594 -6.236 1.00 0.00 H new ATOM 1101 N GLU A 72 -3.775 -6.754 -7.480 1.00 0.00 N ATOM 1102 CA GLU A 72 -2.362 -6.420 -7.823 1.00 0.00 C ATOM 1103 C GLU A 72 -1.763 -5.467 -6.785 1.00 0.00 C ATOM 1104 O GLU A 72 -2.294 -4.402 -6.546 1.00 0.00 O ATOM 1105 CB GLU A 72 -2.440 -5.728 -9.184 1.00 0.00 C ATOM 1106 CG GLU A 72 -2.936 -6.722 -10.236 1.00 0.00 C ATOM 1107 CD GLU A 72 -1.745 -7.485 -10.816 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -0.669 -7.386 -10.248 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -1.927 -8.156 -11.818 1.00 0.00 O ATOM 0 H GLU A 72 -4.480 -6.356 -8.100 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.729 -7.307 -7.841 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.114 -4.873 -9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.459 -5.344 -9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.645 -7.419 -9.788 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.465 -6.195 -11.030 1.00 0.00 H new ATOM 1116 N PRO A 73 -0.593 -5.817 -6.317 1.00 0.00 N ATOM 1117 CA PRO A 73 0.173 -4.898 -5.442 1.00 0.00 C ATOM 1118 C PRO A 73 0.616 -3.680 -6.254 1.00 0.00 C ATOM 1119 O PRO A 73 1.551 -3.747 -7.027 1.00 0.00 O ATOM 1120 CB PRO A 73 1.377 -5.726 -4.996 1.00 0.00 C ATOM 1121 CG PRO A 73 1.493 -6.833 -5.998 1.00 0.00 C ATOM 1122 CD PRO A 73 0.116 -7.079 -6.555 1.00 0.00 C ATOM 0 HA PRO A 73 -0.401 -4.524 -4.594 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.283 -5.121 -4.973 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.232 -6.120 -3.990 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.186 -6.560 -6.794 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.885 -7.736 -5.530 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.152 -7.322 -7.617 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.374 -7.913 -6.053 1.00 0.00 H new ATOM 1130 N THR A 74 -0.138 -2.618 -6.198 1.00 0.00 N ATOM 1131 CA THR A 74 0.146 -1.463 -7.095 1.00 0.00 C ATOM 1132 C THR A 74 1.022 -0.437 -6.382 1.00 0.00 C ATOM 1133 O THR A 74 0.858 -0.171 -5.210 1.00 0.00 O ATOM 1134 CB THR A 74 -1.222 -0.864 -7.414 1.00 0.00 C ATOM 1135 OG1 THR A 74 -2.099 -1.896 -7.838 1.00 0.00 O ATOM 1136 CG2 THR A 74 -1.074 0.175 -8.526 1.00 0.00 C ATOM 0 H THR A 74 -0.935 -2.500 -5.573 1.00 0.00 H new ATOM 0 HA THR A 74 0.682 -1.766 -7.995 1.00 0.00 H new ATOM 0 HB THR A 74 -1.630 -0.385 -6.524 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.735 -2.325 -8.641 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.049 0.604 -8.755 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.398 0.965 -8.198 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.669 -0.302 -9.418 1.00 0.00 H new ATOM 1144 N GLY A 75 1.966 0.126 -7.078 1.00 0.00 N ATOM 1145 CA GLY A 75 2.868 1.116 -6.437 1.00 0.00 C ATOM 1146 C GLY A 75 4.315 0.791 -6.816 1.00 0.00 C ATOM 1147 O GLY A 75 4.552 -0.039 -7.670 1.00 0.00 O ATOM 0 H GLY A 75 2.152 -0.057 -8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.611 2.124 -6.761 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.747 1.089 -5.354 1.00 0.00 H new ATOM 1151 N PRO A 76 5.245 1.454 -6.173 1.00 0.00 N ATOM 1152 CA PRO A 76 4.915 2.462 -5.135 1.00 0.00 C ATOM 1153 C PRO A 76 4.393 3.745 -5.788 1.00 0.00 C ATOM 1154 O PRO A 76 5.002 4.289 -6.688 1.00 0.00 O ATOM 1155 CB PRO A 76 6.243 2.694 -4.424 1.00 0.00 C ATOM 1156 CG PRO A 76 7.298 2.319 -5.417 1.00 0.00 C ATOM 1157 CD PRO A 76 6.690 1.315 -6.365 1.00 0.00 C ATOM 0 HA PRO A 76 4.132 2.139 -4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.347 3.734 -4.115 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.318 2.085 -3.523 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.644 3.199 -5.960 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.166 1.894 -4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.974 1.521 -7.397 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.025 0.303 -6.138 1.00 0.00 H new ATOM 1165 N LEU A 77 3.220 4.174 -5.407 1.00 0.00 N ATOM 1166 CA LEU A 77 2.597 5.351 -6.078 1.00 0.00 C ATOM 1167 C LEU A 77 2.924 6.630 -5.307 1.00 0.00 C ATOM 1168 O LEU A 77 3.303 6.591 -4.157 1.00 0.00 O ATOM 1169 CB LEU A 77 1.094 5.075 -6.035 1.00 0.00 C ATOM 1170 CG LEU A 77 0.342 6.211 -6.731 1.00 0.00 C ATOM 1171 CD1 LEU A 77 0.610 6.154 -8.237 1.00 0.00 C ATOM 1172 CD2 LEU A 77 -1.158 6.060 -6.474 1.00 0.00 C ATOM 0 H LEU A 77 2.665 3.759 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 77 2.961 5.489 -7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.874 4.126 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.760 4.985 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 77 0.684 7.168 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.074 6.963 -8.733 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.679 6.261 -8.421 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.268 5.197 -8.631 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.695 6.869 -6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.500 5.103 -6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.349 6.101 -5.402 1.00 0.00 H new ATOM 1184 N HIS A 78 2.806 7.764 -5.937 1.00 0.00 N ATOM 1185 CA HIS A 78 3.141 9.036 -5.239 1.00 0.00 C ATOM 1186 C HIS A 78 1.996 9.460 -4.313 1.00 0.00 C ATOM 1187 O HIS A 78 0.898 9.735 -4.755 1.00 0.00 O ATOM 1188 CB HIS A 78 3.336 10.064 -6.350 1.00 0.00 C ATOM 1189 CG HIS A 78 3.808 11.358 -5.748 1.00 0.00 C ATOM 1190 ND1 HIS A 78 2.993 12.476 -5.666 1.00 0.00 N ATOM 1191 CD2 HIS A 78 5.005 11.724 -5.184 1.00 0.00 C ATOM 1192 CE1 HIS A 78 3.702 13.453 -5.073 1.00 0.00 C ATOM 1193 NE2 HIS A 78 4.936 13.047 -4.759 1.00 0.00 N ATOM 0 H HIS A 78 2.493 7.866 -6.902 1.00 0.00 H new ATOM 0 HA HIS A 78 4.029 8.935 -4.616 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.063 9.700 -7.075 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.400 10.219 -6.887 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.868 11.083 -5.085 1.00 0.00 H new ATOM 0 HE1 HIS A 78 3.321 14.444 -4.875 1.00 0.00 H new ATOM 0 HE2 HIS A 78 5.670 13.591 -4.305 1.00 0.00 H new ATOM 1201 N THR A 79 2.286 9.648 -3.055 1.00 0.00 N ATOM 1202 CA THR A 79 1.265 10.211 -2.125 1.00 0.00 C ATOM 1203 C THR A 79 1.901 11.315 -1.275 1.00 0.00 C ATOM 1204 O THR A 79 3.105 11.457 -1.230 1.00 0.00 O ATOM 1205 CB THR A 79 0.811 9.041 -1.242 1.00 0.00 C ATOM 1206 OG1 THR A 79 -0.381 9.406 -0.560 1.00 0.00 O ATOM 1207 CG2 THR A 79 1.897 8.704 -0.217 1.00 0.00 C ATOM 0 H THR A 79 3.188 9.436 -2.629 1.00 0.00 H new ATOM 0 HA THR A 79 0.421 10.651 -2.657 1.00 0.00 H new ATOM 0 HB THR A 79 0.629 8.168 -1.869 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.054 8.703 -0.678 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.565 7.872 0.405 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.814 8.425 -0.737 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.086 9.574 0.412 1.00 0.00 H new ATOM 1215 N GLN A 80 1.105 12.117 -0.631 1.00 0.00 N ATOM 1216 CA GLN A 80 1.672 13.237 0.174 1.00 0.00 C ATOM 1217 C GLN A 80 2.594 12.690 1.271 1.00 0.00 C ATOM 1218 O GLN A 80 3.501 13.360 1.721 1.00 0.00 O ATOM 1219 CB GLN A 80 0.461 13.943 0.787 1.00 0.00 C ATOM 1220 CG GLN A 80 -0.311 14.669 -0.315 1.00 0.00 C ATOM 1221 CD GLN A 80 -1.523 15.376 0.292 1.00 0.00 C ATOM 1222 OE1 GLN A 80 -1.438 15.940 1.365 1.00 0.00 O ATOM 1223 NE2 GLN A 80 -2.659 15.362 -0.350 1.00 0.00 N ATOM 0 H GLN A 80 0.087 12.048 -0.625 1.00 0.00 H new ATOM 0 HA GLN A 80 2.272 13.916 -0.432 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -0.185 13.218 1.282 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.786 14.653 1.548 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.336 15.393 -0.810 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -0.634 13.958 -1.076 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -2.730 14.889 -1.251 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.476 15.825 0.049 1.00 0.00 H new ATOM 1232 N PHE A 81 2.326 11.506 1.752 1.00 0.00 N ATOM 1233 CA PHE A 81 3.141 10.954 2.874 1.00 0.00 C ATOM 1234 C PHE A 81 4.431 10.314 2.345 1.00 0.00 C ATOM 1235 O PHE A 81 5.257 9.848 3.104 1.00 0.00 O ATOM 1236 CB PHE A 81 2.249 9.896 3.524 1.00 0.00 C ATOM 1237 CG PHE A 81 1.016 10.556 4.091 1.00 0.00 C ATOM 1238 CD1 PHE A 81 1.039 11.082 5.391 1.00 0.00 C ATOM 1239 CD2 PHE A 81 -0.152 10.645 3.320 1.00 0.00 C ATOM 1240 CE1 PHE A 81 -0.106 11.696 5.919 1.00 0.00 C ATOM 1241 CE2 PHE A 81 -1.297 11.259 3.848 1.00 0.00 C ATOM 1242 CZ PHE A 81 -1.274 11.785 5.147 1.00 0.00 C ATOM 0 H PHE A 81 1.579 10.897 1.417 1.00 0.00 H new ATOM 0 HA PHE A 81 3.444 11.729 3.578 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.966 9.143 2.789 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.795 9.381 4.314 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.938 11.014 5.985 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.170 10.240 2.319 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.089 12.100 6.920 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.196 11.327 3.254 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.155 12.259 5.554 1.00 0.00 H new ATOM 1252 N GLY A 82 4.590 10.247 1.051 1.00 0.00 N ATOM 1253 CA GLY A 82 5.801 9.589 0.484 1.00 0.00 C ATOM 1254 C GLY A 82 5.378 8.640 -0.639 1.00 0.00 C ATOM 1255 O GLY A 82 4.503 8.943 -1.420 1.00 0.00 O ATOM 0 H GLY A 82 3.935 10.619 0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.492 10.340 0.101 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.329 9.038 1.263 1.00 0.00 H new ATOM 1259 N TYR A 83 5.976 7.485 -0.715 1.00 0.00 N ATOM 1260 CA TYR A 83 5.577 6.515 -1.776 1.00 0.00 C ATOM 1261 C TYR A 83 4.678 5.421 -1.185 1.00 0.00 C ATOM 1262 O TYR A 83 5.075 4.694 -0.298 1.00 0.00 O ATOM 1263 CB TYR A 83 6.894 5.928 -2.284 1.00 0.00 C ATOM 1264 CG TYR A 83 7.676 7.001 -3.003 1.00 0.00 C ATOM 1265 CD1 TYR A 83 7.420 7.268 -4.356 1.00 0.00 C ATOM 1266 CD2 TYR A 83 8.659 7.731 -2.319 1.00 0.00 C ATOM 1267 CE1 TYR A 83 8.145 8.265 -5.024 1.00 0.00 C ATOM 1268 CE2 TYR A 83 9.386 8.727 -2.987 1.00 0.00 C ATOM 1269 CZ TYR A 83 9.129 8.994 -4.340 1.00 0.00 C ATOM 1270 OH TYR A 83 9.843 9.975 -4.998 1.00 0.00 O ATOM 0 H TYR A 83 6.720 7.170 -0.093 1.00 0.00 H new ATOM 0 HA TYR A 83 5.007 6.984 -2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.476 5.535 -1.450 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.698 5.093 -2.957 1.00 0.00 H new ATOM 0 HD1 TYR A 83 6.664 6.705 -4.884 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.856 7.526 -1.277 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.946 8.472 -6.065 1.00 0.00 H new ATOM 0 HE2 TYR A 83 10.143 9.288 -2.460 1.00 0.00 H new ATOM 0 HH TYR A 83 10.484 10.384 -4.379 1.00 0.00 H new ATOM 1280 N HIS A 84 3.484 5.274 -1.694 1.00 0.00 N ATOM 1281 CA HIS A 84 2.581 4.194 -1.180 1.00 0.00 C ATOM 1282 C HIS A 84 2.527 3.019 -2.155 1.00 0.00 C ATOM 1283 O HIS A 84 2.081 3.156 -3.276 1.00 0.00 O ATOM 1284 CB HIS A 84 1.185 4.816 -1.050 1.00 0.00 C ATOM 1285 CG HIS A 84 1.095 5.611 0.220 1.00 0.00 C ATOM 1286 ND1 HIS A 84 0.082 6.530 0.441 1.00 0.00 N ATOM 1287 CD2 HIS A 84 1.872 5.629 1.350 1.00 0.00 C ATOM 1288 CE1 HIS A 84 0.274 7.058 1.662 1.00 0.00 C ATOM 1289 NE2 HIS A 84 1.353 6.544 2.261 1.00 0.00 N ATOM 0 H HIS A 84 3.093 5.850 -2.440 1.00 0.00 H new ATOM 0 HA HIS A 84 2.946 3.814 -0.226 1.00 0.00 H new ATOM 0 HB2 HIS A 84 0.983 5.459 -1.907 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.427 4.033 -1.053 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.753 5.025 1.509 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.366 7.807 2.105 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.717 6.773 3.186 1.00 0.00 H new ATOM 1297 N ILE A 85 2.748 1.834 -1.662 1.00 0.00 N ATOM 1298 CA ILE A 85 2.448 0.628 -2.482 1.00 0.00 C ATOM 1299 C ILE A 85 1.286 -0.136 -1.837 1.00 0.00 C ATOM 1300 O ILE A 85 1.290 -0.383 -0.647 1.00 0.00 O ATOM 1301 CB ILE A 85 3.739 -0.192 -2.466 1.00 0.00 C ATOM 1302 CG1 ILE A 85 3.695 -1.243 -3.577 1.00 0.00 C ATOM 1303 CG2 ILE A 85 3.887 -0.887 -1.114 1.00 0.00 C ATOM 1304 CD1 ILE A 85 5.110 -1.471 -4.114 1.00 0.00 C ATOM 0 H ILE A 85 3.122 1.648 -0.731 1.00 0.00 H new ATOM 0 HA ILE A 85 2.149 0.862 -3.504 1.00 0.00 H new ATOM 0 HB ILE A 85 4.589 0.471 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.284 -2.177 -3.194 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.038 -0.912 -4.381 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.807 -1.471 -1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.923 -0.139 -0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.036 -1.548 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.082 -2.219 -4.906 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.503 -0.536 -4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.754 -1.821 -3.307 1.00 0.00 H new ATOM 1316 N ILE A 86 0.206 -0.298 -2.552 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.043 -0.793 -1.904 1.00 0.00 C ATOM 1318 C ILE A 86 -1.442 -2.169 -2.443 1.00 0.00 C ATOM 1319 O ILE A 86 -1.597 -2.361 -3.633 1.00 0.00 O ATOM 1320 CB ILE A 86 -2.107 0.243 -2.261 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -1.689 1.610 -1.716 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -3.443 -0.167 -1.642 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -2.617 2.686 -2.280 1.00 0.00 C ATOM 0 H ILE A 86 0.134 -0.110 -3.552 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.916 -0.910 -0.828 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.211 0.301 -3.344 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.734 1.609 -0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.656 1.824 -1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.203 0.571 -1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.740 -1.142 -2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.340 -0.224 -0.558 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.321 3.661 -1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.549 2.691 -3.368 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.644 2.474 -1.982 1.00 0.00 H new ATOM 1335 N LYS A 87 -1.741 -3.085 -1.563 1.00 0.00 N ATOM 1336 CA LYS A 87 -2.284 -4.401 -2.004 1.00 0.00 C ATOM 1337 C LYS A 87 -3.808 -4.414 -1.829 1.00 0.00 C ATOM 1338 O LYS A 87 -4.321 -4.054 -0.787 1.00 0.00 O ATOM 1339 CB LYS A 87 -1.615 -5.424 -1.085 1.00 0.00 C ATOM 1340 CG LYS A 87 -2.016 -6.837 -1.511 1.00 0.00 C ATOM 1341 CD LYS A 87 -1.157 -7.856 -0.758 1.00 0.00 C ATOM 1342 CE LYS A 87 0.237 -7.907 -1.385 1.00 0.00 C ATOM 1343 NZ LYS A 87 0.739 -9.280 -1.096 1.00 0.00 N ATOM 0 H LYS A 87 -1.632 -2.978 -0.554 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.085 -4.615 -3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.531 -5.314 -1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.911 -5.247 -0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.072 -7.007 -1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.883 -6.956 -2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.085 -7.580 0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.622 -8.841 -0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.194 -7.720 -2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.891 -7.149 -0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.693 -9.392 -1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.775 -9.427 -0.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.100 -9.980 -1.523 1.00 0.00 H new ATOM 1357 N VAL A 88 -4.534 -4.685 -2.882 1.00 0.00 N ATOM 1358 CA VAL A 88 -6.024 -4.552 -2.824 1.00 0.00 C ATOM 1359 C VAL A 88 -6.690 -5.925 -2.969 1.00 0.00 C ATOM 1360 O VAL A 88 -6.332 -6.705 -3.827 1.00 0.00 O ATOM 1361 CB VAL A 88 -6.377 -3.660 -4.015 1.00 0.00 C ATOM 1362 CG1 VAL A 88 -7.889 -3.436 -4.055 1.00 0.00 C ATOM 1363 CG2 VAL A 88 -5.661 -2.315 -3.881 1.00 0.00 C ATOM 0 H VAL A 88 -4.162 -4.993 -3.780 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.367 -4.135 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.059 -4.146 -4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.140 -2.800 -4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.396 -4.395 -4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.210 -2.953 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.914 -1.682 -4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.974 -1.826 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.583 -2.477 -3.858 1.00 0.00 H new ATOM 1373 N LEU A 89 -7.622 -6.246 -2.107 1.00 0.00 N ATOM 1374 CA LEU A 89 -8.259 -7.577 -2.161 1.00 0.00 C ATOM 1375 C LEU A 89 -9.770 -7.441 -1.938 1.00 0.00 C ATOM 1376 O LEU A 89 -10.253 -6.448 -1.433 1.00 0.00 O ATOM 1377 CB LEU A 89 -7.632 -8.361 -1.007 1.00 0.00 C ATOM 1378 CG LEU A 89 -6.110 -8.375 -1.155 1.00 0.00 C ATOM 1379 CD1 LEU A 89 -5.484 -8.971 0.107 1.00 0.00 C ATOM 1380 CD2 LEU A 89 -5.720 -9.228 -2.364 1.00 0.00 C ATOM 0 H LEU A 89 -7.964 -5.633 -1.367 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.111 -8.068 -3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.910 -7.908 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.015 -9.382 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.750 -7.356 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.399 -8.982 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.761 -8.366 0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.846 -9.990 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.635 -9.237 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.079 -10.247 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.168 -8.808 -3.265 1.00 0.00 H new ATOM 1392 N TYR A 90 -10.471 -8.510 -2.145 1.00 0.00 N ATOM 1393 CA TYR A 90 -11.921 -8.576 -1.780 1.00 0.00 C ATOM 1394 C TYR A 90 -12.726 -7.429 -2.406 1.00 0.00 C ATOM 1395 O TYR A 90 -13.531 -7.646 -3.289 1.00 0.00 O ATOM 1396 CB TYR A 90 -11.948 -8.480 -0.256 1.00 0.00 C ATOM 1397 CG TYR A 90 -11.565 -9.815 0.337 1.00 0.00 C ATOM 1398 CD1 TYR A 90 -12.467 -10.888 0.289 1.00 0.00 C ATOM 1399 CD2 TYR A 90 -10.307 -9.984 0.933 1.00 0.00 C ATOM 1400 CE1 TYR A 90 -12.111 -12.128 0.837 1.00 0.00 C ATOM 1401 CE2 TYR A 90 -9.951 -11.225 1.481 1.00 0.00 C ATOM 1402 CZ TYR A 90 -10.853 -12.297 1.433 1.00 0.00 C ATOM 1403 OH TYR A 90 -10.504 -13.518 1.973 1.00 0.00 O ATOM 0 H TYR A 90 -10.100 -9.364 -2.561 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.379 -9.493 -2.151 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.258 -7.707 0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -12.942 -8.190 0.084 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -13.436 -10.759 -0.170 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.612 -9.158 0.970 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -12.806 -12.954 0.800 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -8.982 -11.355 1.940 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.599 -13.465 2.345 1.00 0.00 H new ATOM 1413 N ARG A 91 -12.632 -6.245 -1.863 1.00 0.00 N ATOM 1414 CA ARG A 91 -13.524 -5.140 -2.335 1.00 0.00 C ATOM 1415 C ARG A 91 -15.002 -5.550 -2.232 1.00 0.00 C ATOM 1416 O ARG A 91 -15.803 -5.202 -3.076 1.00 0.00 O ATOM 1417 CB ARG A 91 -13.147 -4.916 -3.801 1.00 0.00 C ATOM 1418 CG ARG A 91 -11.782 -4.231 -3.886 1.00 0.00 C ATOM 1419 CD ARG A 91 -11.964 -2.722 -3.717 1.00 0.00 C ATOM 1420 NE ARG A 91 -12.535 -2.266 -5.018 1.00 0.00 N ATOM 1421 CZ ARG A 91 -13.039 -1.067 -5.134 1.00 0.00 C ATOM 1422 NH1 ARG A 91 -13.049 -0.255 -4.111 1.00 0.00 N ATOM 1423 NH2 ARG A 91 -13.537 -0.679 -6.277 1.00 0.00 N ATOM 0 H ARG A 91 -11.982 -5.993 -1.118 1.00 0.00 H new ATOM 0 HA ARG A 91 -13.399 -4.241 -1.732 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -13.119 -5.869 -4.329 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -13.903 -4.303 -4.291 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.119 -4.618 -3.112 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.313 -4.447 -4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.634 -2.493 -2.888 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.015 -2.229 -3.506 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.532 -2.895 -5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.662 -0.557 -3.217 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.444 0.681 -4.206 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.532 -1.312 -7.077 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.931 0.257 -6.370 1.00 0.00 H new ATOM 1437 N ASN A 92 -15.382 -6.229 -1.181 1.00 0.00 N ATOM 1438 CA ASN A 92 -16.819 -6.590 -1.006 1.00 0.00 C ATOM 1439 C ASN A 92 -17.017 -7.357 0.304 1.00 0.00 C ATOM 1440 O ASN A 92 -18.160 -7.572 0.675 1.00 0.00 O ATOM 1441 CB ASN A 92 -17.162 -7.481 -2.201 1.00 0.00 C ATOM 1442 CG ASN A 92 -18.652 -7.825 -2.162 1.00 0.00 C ATOM 1443 OD1 ASN A 92 -19.516 -6.889 -1.877 1.00 0.00 O flip ATOM 1444 ND2 ASN A 92 -19.034 -8.956 -2.390 1.00 0.00 N flip ATOM 1445 OXT ASN A 92 -16.024 -7.717 0.913 1.00 0.00 O ATOM 0 H ASN A 92 -14.760 -6.548 -0.438 1.00 0.00 H new ATOM 0 HA ASN A 92 -17.458 -5.708 -0.961 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.919 -6.970 -3.132 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.565 -8.393 -2.173 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -18.359 -9.687 -2.613 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -20.030 -9.174 -2.359 1.00 0.00 H new TER 1452 ASN A 92