USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 560 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 41 MET CE :methyl -126:sc= -1.59 (180deg=-4.32!) USER MOD Set 1.2: A 76 MET CE :methyl -175:sc= -0.307 (180deg=-0.0376) USER MOD Set 2.1: A 59 ASN : amide:sc= -0.33! X(o=-0.33!,f=-0.14) USER MOD Set 2.2: A 63 LYS NZ :NH3+ 159:sc= 0 (180deg=0) USER MOD Set 3.1: A 40 LYS NZ :NH3+ 160:sc= 0.317 (180deg=0.0224) USER MOD Set 3.2: A 49 TYR OH : rot 180:sc= 0.036 USER MOD Single : A 7 TYR OH : rot 179:sc= 1.46 USER MOD Single : A 8 LYS NZ :NH3+ 140:sc= 0.233 (180deg=-0.224) USER MOD Single : A 9 SER OG : rot 86:sc= 0.826 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.621 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.703 X(o=-0.7,f=-0.87) USER MOD Single : A 19 SER OG : rot -112:sc= 1.39 USER MOD Single : A 20 LYS NZ :NH3+ -147:sc= 1.72 (180deg=0.589) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0341 USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 0.178 (180deg=0.124) USER MOD Single : A 30 LYS NZ :NH3+ -179:sc= 0.536 (180deg=0.504) USER MOD Single : A 32 GLN : amide:sc= 0.691 K(o=0.69,f=-0.012) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.014) USER MOD Single : A 42 LYS NZ :NH3+ 171:sc= 0.791 (180deg=0.683) USER MOD Single : A 44 TYR OH : rot 88:sc= -0.142 USER MOD Single : A 48 SER OG : rot -78:sc= 1.37 USER MOD Single : A 54 LYS NZ :NH3+ 156:sc= 0.747 (180deg=0.268) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 152:sc= -0.366 (180deg=-3.41!) USER MOD Single : A 58 THR OG1 : rot 74:sc= 1.26 USER MOD Single : A 62 LYS NZ :NH3+ 156:sc= 0.61 (180deg=-0.00242) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= 0.0748 (180deg=0.046) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -41:sc= 0.62 USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0151) USER MOD ----------------------------------------------------------------- ATOM 25 N GLY A 3 1.238 -10.140 -4.298 1.00 0.00 N ATOM 26 CA GLY A 3 2.130 -9.265 -3.555 1.00 0.00 C ATOM 27 C GLY A 3 3.132 -8.616 -4.506 1.00 0.00 C ATOM 28 O GLY A 3 3.051 -7.430 -4.829 1.00 0.00 O ATOM 0 HA2 GLY A 3 1.554 -8.496 -3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.658 -9.834 -2.790 1.00 0.00 H new ATOM 32 N ALA A 4 4.046 -9.451 -4.990 1.00 0.00 N ATOM 33 CA ALA A 4 5.171 -9.087 -5.838 1.00 0.00 C ATOM 34 C ALA A 4 4.746 -8.393 -7.130 1.00 0.00 C ATOM 35 O ALA A 4 5.293 -7.349 -7.478 1.00 0.00 O ATOM 36 CB ALA A 4 6.000 -10.339 -6.139 1.00 0.00 C ATOM 0 H ALA A 4 4.019 -10.451 -4.790 1.00 0.00 H new ATOM 0 HA ALA A 4 5.775 -8.361 -5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.845 -10.072 -6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.368 -10.765 -5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.378 -11.073 -6.652 1.00 0.00 H new ATOM 42 N ALA A 5 3.798 -8.984 -7.865 1.00 0.00 N ATOM 43 CA ALA A 5 3.346 -8.422 -9.132 1.00 0.00 C ATOM 44 C ALA A 5 2.800 -7.009 -8.942 1.00 0.00 C ATOM 45 O ALA A 5 3.132 -6.103 -9.701 1.00 0.00 O ATOM 46 CB ALA A 5 2.286 -9.326 -9.764 1.00 0.00 C ATOM 0 H ALA A 5 3.332 -9.852 -7.600 1.00 0.00 H new ATOM 0 HA ALA A 5 4.203 -8.363 -9.803 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.957 -8.895 -10.709 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.710 -10.314 -9.944 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.434 -9.414 -9.090 1.00 0.00 H new ATOM 52 N LEU A 6 1.956 -6.831 -7.925 1.00 0.00 N ATOM 53 CA LEU A 6 1.327 -5.552 -7.649 1.00 0.00 C ATOM 54 C LEU A 6 2.377 -4.526 -7.228 1.00 0.00 C ATOM 55 O LEU A 6 2.422 -3.425 -7.781 1.00 0.00 O ATOM 56 CB LEU A 6 0.256 -5.690 -6.561 1.00 0.00 C ATOM 57 CG LEU A 6 -0.800 -6.761 -6.886 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.581 -7.997 -6.005 1.00 0.00 C ATOM 59 CD2 LEU A 6 -2.210 -6.210 -6.657 1.00 0.00 C ATOM 0 H LEU A 6 1.694 -7.572 -7.274 1.00 0.00 H new ATOM 0 HA LEU A 6 0.842 -5.208 -8.563 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.737 -5.938 -5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.240 -4.729 -6.424 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.697 -7.041 -7.934 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.333 -8.750 -6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.413 -8.405 -6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.667 -7.716 -4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.944 -6.981 -6.892 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.319 -5.911 -5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.372 -5.346 -7.302 1.00 0.00 H new ATOM 71 N TYR A 7 3.216 -4.909 -6.257 1.00 0.00 N ATOM 72 CA TYR A 7 4.218 -4.049 -5.644 1.00 0.00 C ATOM 73 C TYR A 7 4.988 -3.178 -6.638 1.00 0.00 C ATOM 74 O TYR A 7 5.187 -1.988 -6.392 1.00 0.00 O ATOM 75 CB TYR A 7 5.181 -4.864 -4.775 1.00 0.00 C ATOM 76 CG TYR A 7 6.185 -3.966 -4.083 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.710 -2.962 -3.218 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.510 -3.910 -4.551 1.00 0.00 C ATOM 79 CE1 TYR A 7 6.549 -1.903 -2.839 1.00 0.00 C ATOM 80 CE2 TYR A 7 8.369 -2.891 -4.108 1.00 0.00 C ATOM 81 CZ TYR A 7 7.886 -1.886 -3.255 1.00 0.00 C ATOM 82 OH TYR A 7 8.701 -0.884 -2.836 1.00 0.00 O ATOM 0 H TYR A 7 3.211 -5.853 -5.870 1.00 0.00 H new ATOM 0 HA TYR A 7 3.662 -3.356 -5.013 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.617 -5.425 -4.030 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.706 -5.592 -5.393 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.697 -3.007 -2.845 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.867 -4.651 -5.251 1.00 0.00 H new ATOM 0 HE1 TYR A 7 6.164 -1.101 -2.227 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.402 -2.881 -4.424 1.00 0.00 H new ATOM 0 HH TYR A 7 9.602 -1.022 -3.197 1.00 0.00 H new ATOM 92 N LYS A 8 5.416 -3.760 -7.759 1.00 0.00 N ATOM 93 CA LYS A 8 6.152 -3.102 -8.807 1.00 0.00 C ATOM 94 C LYS A 8 5.519 -1.767 -9.213 1.00 0.00 C ATOM 95 O LYS A 8 6.227 -0.817 -9.534 1.00 0.00 O ATOM 96 CB LYS A 8 6.186 -4.105 -9.955 1.00 0.00 C ATOM 97 CG LYS A 8 7.143 -5.262 -9.643 1.00 0.00 C ATOM 98 CD LYS A 8 6.978 -6.377 -10.682 1.00 0.00 C ATOM 99 CE LYS A 8 7.985 -7.511 -10.456 1.00 0.00 C ATOM 100 NZ LYS A 8 7.901 -8.057 -9.089 1.00 0.00 N ATOM 0 H LYS A 8 5.245 -4.746 -7.957 1.00 0.00 H new ATOM 0 HA LYS A 8 7.157 -2.831 -8.484 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.184 -4.495 -10.132 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.500 -3.605 -10.871 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.172 -4.903 -9.644 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.942 -5.652 -8.645 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.964 -6.774 -10.633 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.111 -5.966 -11.683 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.802 -8.308 -11.177 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.994 -7.142 -10.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.001 -9.092 -9.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.662 -7.653 -8.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.980 -7.812 -8.673 1.00 0.00 H new ATOM 114 N SER A 9 4.189 -1.679 -9.175 1.00 0.00 N ATOM 115 CA SER A 9 3.466 -0.460 -9.496 1.00 0.00 C ATOM 116 C SER A 9 3.695 0.603 -8.413 1.00 0.00 C ATOM 117 O SER A 9 3.926 1.777 -8.694 1.00 0.00 O ATOM 118 CB SER A 9 1.966 -0.782 -9.593 1.00 0.00 C ATOM 119 OG SER A 9 1.748 -2.074 -10.129 1.00 0.00 O ATOM 0 H SER A 9 3.584 -2.459 -8.918 1.00 0.00 H new ATOM 0 HA SER A 9 3.828 -0.068 -10.447 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.514 -0.716 -8.604 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.473 -0.039 -10.219 1.00 0.00 H new ATOM 0 HG SER A 9 1.779 -2.737 -9.408 1.00 0.00 H new ATOM 125 N CYS A 10 3.625 0.163 -7.156 1.00 0.00 N ATOM 126 CA CYS A 10 3.671 0.986 -5.957 1.00 0.00 C ATOM 127 C CYS A 10 5.007 1.702 -5.840 1.00 0.00 C ATOM 128 O CYS A 10 5.069 2.829 -5.338 1.00 0.00 O ATOM 129 CB CYS A 10 3.374 0.126 -4.723 1.00 0.00 C ATOM 130 SG CYS A 10 2.099 -1.161 -4.907 1.00 0.00 S ATOM 0 H CYS A 10 3.530 -0.829 -6.941 1.00 0.00 H new ATOM 0 HA CYS A 10 2.903 1.757 -6.025 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.301 -0.356 -4.414 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.073 0.789 -3.911 1.00 0.00 H new ATOM 0 HG CYS A 10 1.964 -1.802 -3.784 1.00 0.00 H new ATOM 135 N ILE A 11 6.067 1.056 -6.341 1.00 0.00 N ATOM 136 CA ILE A 11 7.402 1.636 -6.422 1.00 0.00 C ATOM 137 C ILE A 11 7.309 3.058 -6.984 1.00 0.00 C ATOM 138 O ILE A 11 8.026 3.945 -6.524 1.00 0.00 O ATOM 139 CB ILE A 11 8.321 0.756 -7.295 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.579 -0.589 -6.593 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.651 1.454 -7.628 1.00 0.00 C ATOM 142 CD1 ILE A 11 9.450 -1.545 -7.414 1.00 0.00 C ATOM 0 H ILE A 11 6.015 0.104 -6.705 1.00 0.00 H new ATOM 0 HA ILE A 11 7.836 1.681 -5.423 1.00 0.00 H new ATOM 0 HB ILE A 11 7.808 0.580 -8.241 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.061 -0.403 -5.633 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.624 -1.070 -6.382 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.263 0.795 -8.244 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.451 2.377 -8.172 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.182 1.685 -6.704 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.592 -2.473 -6.861 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.959 -1.760 -8.363 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.419 -1.083 -7.603 1.00 0.00 H new ATOM 154 N GLY A 12 6.406 3.273 -7.951 1.00 0.00 N ATOM 155 CA GLY A 12 6.165 4.561 -8.578 1.00 0.00 C ATOM 156 C GLY A 12 6.062 5.709 -7.572 1.00 0.00 C ATOM 157 O GLY A 12 6.546 6.801 -7.860 1.00 0.00 O ATOM 0 H GLY A 12 5.813 2.531 -8.322 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.971 4.773 -9.280 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.243 4.510 -9.157 1.00 0.00 H new ATOM 161 N CYS A 13 5.439 5.480 -6.408 1.00 0.00 N ATOM 162 CA CYS A 13 5.298 6.518 -5.388 1.00 0.00 C ATOM 163 C CYS A 13 6.143 6.214 -4.156 1.00 0.00 C ATOM 164 O CYS A 13 6.593 7.146 -3.498 1.00 0.00 O ATOM 165 CB CYS A 13 3.835 6.670 -4.968 1.00 0.00 C ATOM 166 SG CYS A 13 2.809 7.683 -6.075 1.00 0.00 S ATOM 0 H CYS A 13 5.026 4.583 -6.153 1.00 0.00 H new ATOM 0 HA CYS A 13 5.650 7.450 -5.831 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.390 5.677 -4.895 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.804 7.107 -3.970 1.00 0.00 H new ATOM 0 HG CYS A 13 1.594 7.734 -5.615 1.00 0.00 H new ATOM 171 N HIS A 14 6.343 4.935 -3.825 1.00 0.00 N ATOM 172 CA HIS A 14 7.007 4.530 -2.590 1.00 0.00 C ATOM 173 C HIS A 14 8.481 4.151 -2.729 1.00 0.00 C ATOM 174 O HIS A 14 9.142 3.905 -1.723 1.00 0.00 O ATOM 175 CB HIS A 14 6.194 3.397 -1.975 1.00 0.00 C ATOM 176 CG HIS A 14 4.815 3.839 -1.586 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.625 4.819 -0.631 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.559 3.506 -2.028 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.305 4.927 -0.442 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.593 4.091 -1.207 1.00 0.00 N ATOM 0 H HIS A 14 6.047 4.153 -4.409 1.00 0.00 H new ATOM 0 HA HIS A 14 7.036 5.403 -1.938 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.123 2.574 -2.687 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.713 3.014 -1.096 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.349 2.883 -2.885 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.859 5.619 0.257 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.587 3.922 -1.194 1.00 0.00 H new ATOM 188 N GLY A 15 9.034 4.131 -3.938 1.00 0.00 N ATOM 189 CA GLY A 15 10.434 3.793 -4.128 1.00 0.00 C ATOM 190 C GLY A 15 10.689 2.292 -4.095 1.00 0.00 C ATOM 191 O GLY A 15 9.841 1.506 -3.677 1.00 0.00 O ATOM 0 H GLY A 15 8.531 4.346 -4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.773 4.194 -5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.028 4.275 -3.351 1.00 0.00 H new ATOM 195 N ALA A 16 11.881 1.903 -4.561 1.00 0.00 N ATOM 196 CA ALA A 16 12.311 0.518 -4.680 1.00 0.00 C ATOM 197 C ALA A 16 11.959 -0.295 -3.437 1.00 0.00 C ATOM 198 O ALA A 16 11.301 -1.327 -3.542 1.00 0.00 O ATOM 199 CB ALA A 16 13.816 0.470 -4.960 1.00 0.00 C ATOM 0 H ALA A 16 12.589 2.568 -4.873 1.00 0.00 H new ATOM 0 HA ALA A 16 11.777 0.064 -5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.137 -0.568 -5.049 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.030 0.997 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.354 0.947 -4.141 1.00 0.00 H new ATOM 205 N ASP A 17 12.363 0.194 -2.263 1.00 0.00 N ATOM 206 CA ASP A 17 12.155 -0.470 -0.984 1.00 0.00 C ATOM 207 C ASP A 17 11.108 0.227 -0.112 1.00 0.00 C ATOM 208 O ASP A 17 11.329 0.403 1.078 1.00 0.00 O ATOM 209 CB ASP A 17 13.494 -0.581 -0.250 1.00 0.00 C ATOM 210 CG ASP A 17 14.078 0.769 0.173 1.00 0.00 C ATOM 211 OD1 ASP A 17 13.998 1.715 -0.645 1.00 0.00 O ATOM 212 OD2 ASP A 17 14.604 0.841 1.304 1.00 0.00 O ATOM 0 H ASP A 17 12.855 1.084 -2.178 1.00 0.00 H new ATOM 0 HA ASP A 17 11.760 -1.465 -1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.362 -1.203 0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.210 -1.091 -0.894 1.00 0.00 H new ATOM 217 N GLY A 18 9.984 0.632 -0.703 1.00 0.00 N ATOM 218 CA GLY A 18 8.840 1.267 -0.052 1.00 0.00 C ATOM 219 C GLY A 18 9.202 2.386 0.934 1.00 0.00 C ATOM 220 O GLY A 18 8.461 2.646 1.884 1.00 0.00 O ATOM 0 H GLY A 18 9.840 0.519 -1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.184 1.676 -0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.272 0.503 0.479 1.00 0.00 H new ATOM 224 N SER A 19 10.333 3.050 0.707 1.00 0.00 N ATOM 225 CA SER A 19 10.948 4.006 1.600 1.00 0.00 C ATOM 226 C SER A 19 10.377 5.415 1.481 1.00 0.00 C ATOM 227 O SER A 19 9.871 5.963 2.457 1.00 0.00 O ATOM 228 CB SER A 19 12.442 3.992 1.265 1.00 0.00 C ATOM 229 OG SER A 19 12.599 3.984 -0.148 1.00 0.00 O ATOM 0 H SER A 19 10.867 2.923 -0.153 1.00 0.00 H new ATOM 0 HA SER A 19 10.749 3.720 2.633 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.932 4.866 1.693 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.918 3.114 1.702 1.00 0.00 H new ATOM 0 HG SER A 19 12.973 3.123 -0.431 1.00 0.00 H new ATOM 235 N LYS A 20 10.524 6.030 0.306 1.00 0.00 N ATOM 236 CA LYS A 20 10.147 7.423 0.122 1.00 0.00 C ATOM 237 C LYS A 20 8.674 7.697 0.439 1.00 0.00 C ATOM 238 O LYS A 20 7.789 6.892 0.142 1.00 0.00 O ATOM 239 CB LYS A 20 10.538 7.937 -1.273 1.00 0.00 C ATOM 240 CG LYS A 20 9.835 7.186 -2.404 1.00 0.00 C ATOM 241 CD LYS A 20 10.106 7.776 -3.796 1.00 0.00 C ATOM 242 CE LYS A 20 9.653 9.234 -3.962 1.00 0.00 C ATOM 243 NZ LYS A 20 8.262 9.447 -3.519 1.00 0.00 N ATOM 0 H LYS A 20 10.902 5.581 -0.529 1.00 0.00 H new ATOM 0 HA LYS A 20 10.720 7.991 0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.298 8.998 -1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.617 7.846 -1.399 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.156 6.144 -2.391 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.761 7.191 -2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.174 7.714 -4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.601 7.163 -4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.316 9.884 -3.392 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.746 9.523 -5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.820 10.183 -4.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.728 8.560 -3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.257 9.749 -2.524 1.00 0.00 H new ATOM 257 N ALA A 21 8.422 8.858 1.049 1.00 0.00 N ATOM 258 CA ALA A 21 7.075 9.324 1.314 1.00 0.00 C ATOM 259 C ALA A 21 6.421 9.627 -0.036 1.00 0.00 C ATOM 260 O ALA A 21 7.096 10.073 -0.964 1.00 0.00 O ATOM 261 CB ALA A 21 7.123 10.565 2.207 1.00 0.00 C ATOM 0 H ALA A 21 9.151 9.495 1.370 1.00 0.00 H new ATOM 0 HA ALA A 21 6.491 8.570 1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.108 10.911 2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.610 10.316 3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.685 11.353 1.705 1.00 0.00 H new ATOM 267 N ALA A 22 5.123 9.348 -0.151 1.00 0.00 N ATOM 268 CA ALA A 22 4.366 9.545 -1.374 1.00 0.00 C ATOM 269 C ALA A 22 3.774 10.958 -1.406 1.00 0.00 C ATOM 270 O ALA A 22 4.491 11.937 -1.209 1.00 0.00 O ATOM 271 CB ALA A 22 3.327 8.428 -1.466 1.00 0.00 C ATOM 0 H ALA A 22 4.565 8.974 0.617 1.00 0.00 H new ATOM 0 HA ALA A 22 4.999 9.480 -2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.741 8.550 -2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.832 7.462 -1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.666 8.474 -0.601 1.00 0.00 H new ATOM 277 N MET A 23 2.465 11.078 -1.653 1.00 0.00 N ATOM 278 CA MET A 23 1.780 12.362 -1.718 1.00 0.00 C ATOM 279 C MET A 23 1.695 13.000 -0.327 1.00 0.00 C ATOM 280 O MET A 23 0.646 12.960 0.311 1.00 0.00 O ATOM 281 CB MET A 23 0.381 12.194 -2.340 1.00 0.00 C ATOM 282 CG MET A 23 0.387 11.496 -3.706 1.00 0.00 C ATOM 283 SD MET A 23 1.506 12.159 -4.969 1.00 0.00 S ATOM 284 CE MET A 23 0.781 13.795 -5.216 1.00 0.00 C ATOM 0 H MET A 23 1.852 10.279 -1.814 1.00 0.00 H new ATOM 0 HA MET A 23 2.355 13.032 -2.357 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.244 11.623 -1.654 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.078 13.177 -2.447 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.639 10.447 -3.549 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.627 11.524 -4.104 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.354 14.337 -5.968 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.250 13.689 -5.553 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.801 14.347 -4.276 1.00 0.00 H new ATOM 294 N GLY A 24 2.798 13.569 0.161 1.00 0.00 N ATOM 295 CA GLY A 24 2.865 14.245 1.450 1.00 0.00 C ATOM 296 C GLY A 24 3.353 13.315 2.560 1.00 0.00 C ATOM 297 O GLY A 24 3.955 12.276 2.290 1.00 0.00 O ATOM 0 H GLY A 24 3.686 13.571 -0.341 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.534 15.102 1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.879 14.631 1.708 1.00 0.00 H new ATOM 301 N SER A 25 3.088 13.697 3.813 1.00 0.00 N ATOM 302 CA SER A 25 3.493 13.016 5.036 1.00 0.00 C ATOM 303 C SER A 25 2.915 11.602 5.178 1.00 0.00 C ATOM 304 O SER A 25 2.039 11.351 6.005 1.00 0.00 O ATOM 305 CB SER A 25 3.076 13.906 6.211 1.00 0.00 C ATOM 306 OG SER A 25 3.414 15.251 5.921 1.00 0.00 O ATOM 0 H SER A 25 2.552 14.543 4.007 1.00 0.00 H new ATOM 0 HA SER A 25 4.573 12.868 5.012 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.004 13.818 6.387 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.576 13.582 7.124 1.00 0.00 H new ATOM 0 HG SER A 25 3.147 15.824 6.670 1.00 0.00 H new ATOM 312 N ALA A 26 3.404 10.673 4.361 1.00 0.00 N ATOM 313 CA ALA A 26 3.008 9.275 4.365 1.00 0.00 C ATOM 314 C ALA A 26 3.921 8.502 5.312 1.00 0.00 C ATOM 315 O ALA A 26 5.134 8.706 5.251 1.00 0.00 O ATOM 316 CB ALA A 26 3.171 8.722 2.943 1.00 0.00 C ATOM 0 H ALA A 26 4.110 10.884 3.656 1.00 0.00 H new ATOM 0 HA ALA A 26 1.973 9.174 4.692 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.878 7.672 2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.538 9.287 2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.212 8.814 2.634 1.00 0.00 H new ATOM 322 N LYS A 27 3.392 7.631 6.186 1.00 0.00 N ATOM 323 CA LYS A 27 4.300 6.788 6.962 1.00 0.00 C ATOM 324 C LYS A 27 4.986 5.899 5.920 1.00 0.00 C ATOM 325 O LYS A 27 4.303 5.414 5.014 1.00 0.00 O ATOM 326 CB LYS A 27 3.617 5.948 8.061 1.00 0.00 C ATOM 327 CG LYS A 27 2.514 6.646 8.874 1.00 0.00 C ATOM 328 CD LYS A 27 2.962 7.854 9.720 1.00 0.00 C ATOM 329 CE LYS A 27 3.082 9.193 8.974 1.00 0.00 C ATOM 330 NZ LYS A 27 1.830 9.574 8.296 1.00 0.00 N ATOM 0 H LYS A 27 2.397 7.498 6.364 1.00 0.00 H new ATOM 0 HA LYS A 27 4.997 7.408 7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.188 5.061 7.595 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.385 5.604 8.754 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.737 6.978 8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.059 5.911 9.538 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.255 7.980 10.540 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.929 7.621 10.166 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.362 9.975 9.680 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.884 9.125 8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.941 10.514 7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.610 8.877 7.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.054 9.600 8.988 1.00 0.00 H new ATOM 344 N PRO A 28 6.314 5.719 5.969 1.00 0.00 N ATOM 345 CA PRO A 28 6.997 4.928 4.966 1.00 0.00 C ATOM 346 C PRO A 28 6.399 3.529 4.968 1.00 0.00 C ATOM 347 O PRO A 28 6.049 2.996 6.019 1.00 0.00 O ATOM 348 CB PRO A 28 8.479 4.961 5.346 1.00 0.00 C ATOM 349 CG PRO A 28 8.449 5.218 6.854 1.00 0.00 C ATOM 350 CD PRO A 28 7.225 6.121 7.025 1.00 0.00 C ATOM 0 HA PRO A 28 6.885 5.307 3.950 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.977 4.021 5.108 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.013 5.748 4.814 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.349 4.291 7.419 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.361 5.705 7.199 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.772 5.991 8.008 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.495 7.173 6.935 1.00 0.00 H new ATOM 358 N VAL A 29 6.222 2.950 3.784 1.00 0.00 N ATOM 359 CA VAL A 29 5.538 1.677 3.674 1.00 0.00 C ATOM 360 C VAL A 29 6.474 0.552 4.100 1.00 0.00 C ATOM 361 O VAL A 29 6.017 -0.391 4.747 1.00 0.00 O ATOM 362 CB VAL A 29 4.957 1.500 2.265 1.00 0.00 C ATOM 363 CG1 VAL A 29 3.902 0.392 2.272 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.257 2.784 1.814 1.00 0.00 C ATOM 0 H VAL A 29 6.541 3.342 2.898 1.00 0.00 H new ATOM 0 HA VAL A 29 4.685 1.647 4.352 1.00 0.00 H new ATOM 0 HB VAL A 29 5.779 1.254 1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.494 0.272 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.360 -0.544 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.100 0.658 2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.850 2.644 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.448 3.019 2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.974 3.605 1.802 1.00 0.00 H new ATOM 374 N LYS A 30 7.765 0.685 3.753 1.00 0.00 N ATOM 375 CA LYS A 30 8.851 -0.248 4.035 1.00 0.00 C ATOM 376 C LYS A 30 8.646 -0.891 5.408 1.00 0.00 C ATOM 377 O LYS A 30 9.001 -0.311 6.432 1.00 0.00 O ATOM 378 CB LYS A 30 10.206 0.466 4.021 1.00 0.00 C ATOM 379 CG LYS A 30 11.336 -0.578 4.036 1.00 0.00 C ATOM 380 CD LYS A 30 12.710 0.087 4.158 1.00 0.00 C ATOM 381 CE LYS A 30 13.837 -0.938 3.963 1.00 0.00 C ATOM 382 NZ LYS A 30 13.699 -2.109 4.848 1.00 0.00 N ATOM 0 H LYS A 30 8.091 1.501 3.235 1.00 0.00 H new ATOM 0 HA LYS A 30 8.844 -1.013 3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.289 1.094 3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.292 1.123 4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.187 -1.265 4.869 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.297 -1.171 3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.802 0.879 3.415 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.805 0.556 5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.845 -1.271 2.925 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.797 -0.457 4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.494 -2.761 4.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.702 -1.797 5.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.804 -2.597 4.641 1.00 0.00 H new ATOM 396 N GLY A 31 8.051 -2.076 5.416 1.00 0.00 N ATOM 397 CA GLY A 31 7.715 -2.837 6.595 1.00 0.00 C ATOM 398 C GLY A 31 7.226 -2.012 7.785 1.00 0.00 C ATOM 399 O GLY A 31 7.703 -2.243 8.894 1.00 0.00 O ATOM 0 H GLY A 31 7.779 -2.549 4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.943 -3.560 6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.593 -3.405 6.903 1.00 0.00 H new ATOM 403 N GLN A 32 6.255 -1.098 7.598 1.00 0.00 N ATOM 404 CA GLN A 32 5.721 -0.374 8.769 1.00 0.00 C ATOM 405 C GLN A 32 5.141 -1.366 9.801 1.00 0.00 C ATOM 406 O GLN A 32 5.135 -1.109 11.001 1.00 0.00 O ATOM 407 CB GLN A 32 4.836 0.850 8.438 1.00 0.00 C ATOM 408 CG GLN A 32 3.690 0.586 7.467 1.00 0.00 C ATOM 409 CD GLN A 32 2.783 1.786 7.169 1.00 0.00 C ATOM 410 OE1 GLN A 32 1.618 1.767 7.552 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.262 2.803 6.456 1.00 0.00 N ATOM 0 H GLN A 32 5.842 -0.851 6.699 1.00 0.00 H new ATOM 0 HA GLN A 32 6.564 0.116 9.256 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.420 1.238 9.368 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.470 1.633 8.021 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.110 0.228 6.527 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.076 -0.220 7.869 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.234 2.797 6.148 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.657 3.588 6.217 1.00 0.00 H new ATOM 420 N GLY A 33 4.710 -2.522 9.298 1.00 0.00 N ATOM 421 CA GLY A 33 4.295 -3.727 10.011 1.00 0.00 C ATOM 422 C GLY A 33 3.340 -4.507 9.114 1.00 0.00 C ATOM 423 O GLY A 33 2.475 -3.880 8.529 1.00 0.00 O ATOM 0 H GLY A 33 4.636 -2.649 8.289 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.162 -4.337 10.264 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.806 -3.464 10.949 1.00 0.00 H new ATOM 427 N ALA A 34 3.454 -5.827 8.938 1.00 0.00 N ATOM 428 CA ALA A 34 2.517 -6.555 8.073 1.00 0.00 C ATOM 429 C ALA A 34 1.073 -6.356 8.533 1.00 0.00 C ATOM 430 O ALA A 34 0.177 -6.235 7.705 1.00 0.00 O ATOM 431 CB ALA A 34 2.842 -8.051 8.002 1.00 0.00 C ATOM 0 H ALA A 34 4.172 -6.406 9.374 1.00 0.00 H new ATOM 0 HA ALA A 34 2.629 -6.139 7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.123 -8.549 7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.847 -8.186 7.603 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.787 -8.483 9.001 1.00 0.00 H new ATOM 437 N GLU A 35 0.847 -6.320 9.848 1.00 0.00 N ATOM 438 CA GLU A 35 -0.466 -6.076 10.415 1.00 0.00 C ATOM 439 C GLU A 35 -0.918 -4.658 10.048 1.00 0.00 C ATOM 440 O GLU A 35 -1.996 -4.485 9.482 1.00 0.00 O ATOM 441 CB GLU A 35 -0.486 -6.350 11.931 1.00 0.00 C ATOM 442 CG GLU A 35 0.733 -5.916 12.764 1.00 0.00 C ATOM 443 CD GLU A 35 1.902 -6.895 12.691 1.00 0.00 C ATOM 444 OE1 GLU A 35 1.884 -7.869 13.472 1.00 0.00 O ATOM 445 OE2 GLU A 35 2.781 -6.654 11.833 1.00 0.00 O ATOM 0 H GLU A 35 1.577 -6.461 10.546 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.186 -6.774 9.988 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.366 -5.858 12.347 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.623 -7.422 12.074 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.068 -4.937 12.420 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.430 -5.802 13.805 1.00 0.00 H new ATOM 452 N GLU A 36 -0.075 -3.663 10.352 1.00 0.00 N ATOM 453 CA GLU A 36 -0.286 -2.256 10.026 1.00 0.00 C ATOM 454 C GLU A 36 -0.720 -2.158 8.568 1.00 0.00 C ATOM 455 O GLU A 36 -1.820 -1.716 8.247 1.00 0.00 O ATOM 456 CB GLU A 36 1.039 -1.485 10.199 1.00 0.00 C ATOM 457 CG GLU A 36 1.321 -0.979 11.609 1.00 0.00 C ATOM 458 CD GLU A 36 1.240 -2.070 12.671 1.00 0.00 C ATOM 459 OE1 GLU A 36 2.267 -2.755 12.860 1.00 0.00 O ATOM 460 OE2 GLU A 36 0.147 -2.214 13.260 1.00 0.00 O ATOM 0 H GLU A 36 0.801 -3.826 10.849 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.046 -1.833 10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.860 -2.134 9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.035 -0.633 9.519 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.314 -0.531 11.634 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.609 -0.191 11.853 1.00 0.00 H new ATOM 467 N LEU A 37 0.185 -2.596 7.699 1.00 0.00 N ATOM 468 CA LEU A 37 0.052 -2.644 6.281 1.00 0.00 C ATOM 469 C LEU A 37 -1.286 -3.279 5.924 1.00 0.00 C ATOM 470 O LEU A 37 -2.147 -2.576 5.409 1.00 0.00 O ATOM 471 CB LEU A 37 1.266 -3.436 5.787 1.00 0.00 C ATOM 472 CG LEU A 37 2.580 -2.634 5.772 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.763 -3.558 5.465 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.559 -1.531 4.716 1.00 0.00 C ATOM 0 H LEU A 37 1.090 -2.948 8.009 1.00 0.00 H new ATOM 0 HA LEU A 37 0.043 -1.664 5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.396 -4.313 6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.063 -3.799 4.779 1.00 0.00 H new ATOM 0 HG LEU A 37 2.687 -2.184 6.759 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.686 -2.978 5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.828 -4.332 6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.618 -4.022 4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.504 -0.988 4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.417 -1.974 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.740 -0.842 4.925 1.00 0.00 H new ATOM 486 N TYR A 38 -1.482 -4.572 6.201 1.00 0.00 N ATOM 487 CA TYR A 38 -2.710 -5.285 5.875 1.00 0.00 C ATOM 488 C TYR A 38 -3.952 -4.473 6.234 1.00 0.00 C ATOM 489 O TYR A 38 -4.835 -4.292 5.397 1.00 0.00 O ATOM 490 CB TYR A 38 -2.744 -6.675 6.519 1.00 0.00 C ATOM 491 CG TYR A 38 -4.035 -7.437 6.257 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.583 -7.491 4.958 1.00 0.00 C ATOM 493 CD2 TYR A 38 -4.740 -8.012 7.331 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.838 -8.086 4.745 1.00 0.00 C ATOM 495 CE2 TYR A 38 -5.975 -8.645 7.108 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.524 -8.681 5.815 1.00 0.00 C ATOM 497 OH TYR A 38 -7.706 -9.320 5.586 1.00 0.00 O ATOM 0 H TYR A 38 -0.783 -5.154 6.662 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.719 -5.425 4.794 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.904 -7.260 6.144 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.605 -6.571 7.595 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.036 -7.074 4.125 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.331 -7.967 8.329 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.275 -8.085 3.757 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.502 -9.104 7.931 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.053 -9.679 6.430 1.00 0.00 H new ATOM 507 N LYS A 39 -4.005 -3.977 7.469 1.00 0.00 N ATOM 508 CA LYS A 39 -5.123 -3.166 7.920 1.00 0.00 C ATOM 509 C LYS A 39 -5.304 -1.933 7.035 1.00 0.00 C ATOM 510 O LYS A 39 -6.423 -1.656 6.615 1.00 0.00 O ATOM 511 CB LYS A 39 -4.951 -2.779 9.393 1.00 0.00 C ATOM 512 CG LYS A 39 -5.124 -3.965 10.358 1.00 0.00 C ATOM 513 CD LYS A 39 -6.510 -4.632 10.332 1.00 0.00 C ATOM 514 CE LYS A 39 -7.677 -3.651 10.504 1.00 0.00 C ATOM 515 NZ LYS A 39 -7.548 -2.853 11.736 1.00 0.00 N ATOM 0 H LYS A 39 -3.282 -4.126 8.173 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.031 -3.762 7.835 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.961 -2.346 9.534 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.676 -2.005 9.645 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.372 -4.718 10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.923 -3.620 11.372 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.630 -5.161 9.387 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.557 -5.380 11.124 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.721 -2.984 9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.616 -4.204 10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.381 -2.239 11.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.481 -3.489 12.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.691 -2.267 11.682 1.00 0.00 H new ATOM 529 N LYS A 40 -4.242 -1.182 6.743 1.00 0.00 N ATOM 530 CA LYS A 40 -4.328 -0.012 5.906 1.00 0.00 C ATOM 531 C LYS A 40 -4.689 -0.361 4.452 1.00 0.00 C ATOM 532 O LYS A 40 -5.606 0.261 3.919 1.00 0.00 O ATOM 533 CB LYS A 40 -3.019 0.759 6.041 1.00 0.00 C ATOM 534 CG LYS A 40 -2.741 1.339 7.443 1.00 0.00 C ATOM 535 CD LYS A 40 -3.954 1.993 8.122 1.00 0.00 C ATOM 536 CE LYS A 40 -3.545 2.780 9.374 1.00 0.00 C ATOM 537 NZ LYS A 40 -2.807 4.012 9.042 1.00 0.00 N ATOM 0 H LYS A 40 -3.302 -1.378 7.087 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.147 0.627 6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.196 0.098 5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.022 1.577 5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.371 0.539 8.085 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.944 2.079 7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.450 2.661 7.418 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.677 1.224 8.395 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.436 3.036 9.947 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.926 2.149 10.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.845 4.668 9.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.816 3.777 8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.239 4.462 8.210 1.00 0.00 H new ATOM 551 N MET A 41 -4.020 -1.321 3.788 1.00 0.00 N ATOM 552 CA MET A 41 -4.411 -1.688 2.425 1.00 0.00 C ATOM 553 C MET A 41 -5.869 -2.156 2.399 1.00 0.00 C ATOM 554 O MET A 41 -6.609 -1.763 1.499 1.00 0.00 O ATOM 555 CB MET A 41 -3.455 -2.658 1.688 1.00 0.00 C ATOM 556 CG MET A 41 -2.639 -3.698 2.474 1.00 0.00 C ATOM 557 SD MET A 41 -0.929 -3.218 2.790 1.00 0.00 S ATOM 558 CE MET A 41 -0.335 -3.098 1.100 1.00 0.00 C ATOM 0 H MET A 41 -3.228 -1.841 4.165 1.00 0.00 H new ATOM 0 HA MET A 41 -4.320 -0.774 1.838 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.051 -3.203 0.956 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.745 -2.048 1.130 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.133 -3.885 3.427 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.644 -4.638 1.923 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.553 -3.719 0.982 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.111 -3.441 0.416 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.086 -2.061 0.875 1.00 0.00 H new ATOM 568 N LYS A 42 -6.306 -2.957 3.379 1.00 0.00 N ATOM 569 CA LYS A 42 -7.702 -3.372 3.433 1.00 0.00 C ATOM 570 C LYS A 42 -8.594 -2.146 3.651 1.00 0.00 C ATOM 571 O LYS A 42 -9.619 -2.011 2.990 1.00 0.00 O ATOM 572 CB LYS A 42 -7.903 -4.459 4.496 1.00 0.00 C ATOM 573 CG LYS A 42 -9.340 -4.996 4.450 1.00 0.00 C ATOM 574 CD LYS A 42 -9.454 -6.299 5.250 1.00 0.00 C ATOM 575 CE LYS A 42 -10.908 -6.772 5.364 1.00 0.00 C ATOM 576 NZ LYS A 42 -11.528 -6.991 4.044 1.00 0.00 N ATOM 0 H LYS A 42 -5.720 -3.322 4.130 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.993 -3.820 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.198 -5.274 4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.692 -4.052 5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.025 -4.252 4.856 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.636 -5.171 3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.856 -7.074 4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.041 -6.150 6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.943 -7.698 5.938 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.487 -6.032 5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.452 -7.452 4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.658 -6.077 3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.912 -7.599 3.467 1.00 0.00 H new ATOM 590 N GLY A 43 -8.194 -1.253 4.560 1.00 0.00 N ATOM 591 CA GLY A 43 -8.866 0.003 4.858 1.00 0.00 C ATOM 592 C GLY A 43 -9.138 0.775 3.574 1.00 0.00 C ATOM 593 O GLY A 43 -10.267 1.187 3.305 1.00 0.00 O ATOM 0 H GLY A 43 -7.359 -1.396 5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.804 -0.193 5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.250 0.603 5.527 1.00 0.00 H new ATOM 597 N TYR A 44 -8.081 0.982 2.789 1.00 0.00 N ATOM 598 CA TYR A 44 -8.148 1.685 1.524 1.00 0.00 C ATOM 599 C TYR A 44 -9.051 0.929 0.550 1.00 0.00 C ATOM 600 O TYR A 44 -10.000 1.498 0.022 1.00 0.00 O ATOM 601 CB TYR A 44 -6.739 1.827 0.942 1.00 0.00 C ATOM 602 CG TYR A 44 -5.792 2.821 1.591 1.00 0.00 C ATOM 603 CD1 TYR A 44 -6.187 4.157 1.794 1.00 0.00 C ATOM 604 CD2 TYR A 44 -4.435 2.477 1.747 1.00 0.00 C ATOM 605 CE1 TYR A 44 -5.250 5.108 2.229 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.485 3.452 2.094 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.892 4.771 2.323 1.00 0.00 C ATOM 608 OH TYR A 44 -2.963 5.725 2.603 1.00 0.00 O ATOM 0 H TYR A 44 -7.143 0.658 3.025 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.568 2.678 1.685 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.265 0.846 0.974 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.839 2.099 -0.109 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.211 4.450 1.615 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.122 1.454 1.598 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.577 6.103 2.492 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.443 3.184 2.184 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.862 5.809 3.574 1.00 0.00 H new ATOM 618 N ALA A 45 -8.766 -0.353 0.308 1.00 0.00 N ATOM 619 CA ALA A 45 -9.528 -1.161 -0.635 1.00 0.00 C ATOM 620 C ALA A 45 -11.026 -1.133 -0.328 1.00 0.00 C ATOM 621 O ALA A 45 -11.842 -0.975 -1.232 1.00 0.00 O ATOM 622 CB ALA A 45 -8.991 -2.591 -0.650 1.00 0.00 C ATOM 0 H ALA A 45 -8.002 -0.855 0.761 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.404 -0.730 -1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.566 -3.188 -1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.943 -2.583 -0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.080 -3.024 0.347 1.00 0.00 H new ATOM 628 N ASP A 46 -11.382 -1.285 0.948 1.00 0.00 N ATOM 629 CA ASP A 46 -12.759 -1.222 1.413 1.00 0.00 C ATOM 630 C ASP A 46 -13.308 0.198 1.257 1.00 0.00 C ATOM 631 O ASP A 46 -14.462 0.378 0.882 1.00 0.00 O ATOM 632 CB ASP A 46 -12.813 -1.671 2.877 1.00 0.00 C ATOM 633 CG ASP A 46 -14.212 -1.504 3.460 1.00 0.00 C ATOM 634 OD1 ASP A 46 -15.044 -2.402 3.212 1.00 0.00 O ATOM 635 OD2 ASP A 46 -14.415 -0.482 4.152 1.00 0.00 O ATOM 0 H ASP A 46 -10.709 -1.458 1.695 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.380 -1.887 0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.509 -2.715 2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.101 -1.090 3.464 1.00 0.00 H new ATOM 640 N GLY A 47 -12.480 1.200 1.565 1.00 0.00 N ATOM 641 CA GLY A 47 -12.830 2.611 1.502 1.00 0.00 C ATOM 642 C GLY A 47 -13.033 3.202 2.898 1.00 0.00 C ATOM 643 O GLY A 47 -13.558 4.304 3.028 1.00 0.00 O ATOM 0 H GLY A 47 -11.521 1.041 1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.043 3.159 0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.742 2.735 0.917 1.00 0.00 H new ATOM 647 N SER A 48 -12.628 2.479 3.947 1.00 0.00 N ATOM 648 CA SER A 48 -12.692 2.944 5.321 1.00 0.00 C ATOM 649 C SER A 48 -11.545 3.929 5.545 1.00 0.00 C ATOM 650 O SER A 48 -11.717 4.941 6.220 1.00 0.00 O ATOM 651 CB SER A 48 -12.601 1.747 6.281 1.00 0.00 C ATOM 652 OG SER A 48 -12.333 0.545 5.583 1.00 0.00 O ATOM 0 H SER A 48 -12.241 1.540 3.855 1.00 0.00 H new ATOM 0 HA SER A 48 -13.639 3.448 5.515 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.815 1.926 7.015 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.536 1.649 6.832 1.00 0.00 H new ATOM 0 HG SER A 48 -13.155 0.224 5.157 1.00 0.00 H new ATOM 658 N TYR A 49 -10.368 3.608 4.997 1.00 0.00 N ATOM 659 CA TYR A 49 -9.193 4.467 5.041 1.00 0.00 C ATOM 660 C TYR A 49 -9.125 5.207 3.704 1.00 0.00 C ATOM 661 O TYR A 49 -9.595 4.685 2.695 1.00 0.00 O ATOM 662 CB TYR A 49 -7.931 3.620 5.289 1.00 0.00 C ATOM 663 CG TYR A 49 -6.641 4.376 5.582 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.640 5.545 6.369 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.412 3.831 5.159 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.430 6.185 6.681 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.200 4.462 5.495 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.210 5.638 6.262 1.00 0.00 C ATOM 669 OH TYR A 49 -3.053 6.177 6.734 1.00 0.00 O ATOM 0 H TYR A 49 -10.209 2.729 4.504 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.256 5.187 5.857 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.130 2.951 6.126 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.765 2.993 4.413 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.573 5.950 6.733 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.400 2.924 4.573 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.440 7.105 7.247 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.262 4.042 5.163 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.289 5.693 6.357 1.00 0.00 H new ATOM 679 N GLY A 50 -8.556 6.414 3.684 1.00 0.00 N ATOM 680 CA GLY A 50 -8.443 7.222 2.481 1.00 0.00 C ATOM 681 C GLY A 50 -8.503 8.699 2.864 1.00 0.00 C ATOM 682 O GLY A 50 -8.181 9.043 4.001 1.00 0.00 O ATOM 0 H GLY A 50 -8.159 6.857 4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.506 7.004 1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.249 6.980 1.788 1.00 0.00 H new ATOM 686 N GLY A 51 -8.910 9.558 1.923 1.00 0.00 N ATOM 687 CA GLY A 51 -9.055 10.994 2.133 1.00 0.00 C ATOM 688 C GLY A 51 -8.055 11.793 1.297 1.00 0.00 C ATOM 689 O GLY A 51 -6.848 11.610 1.437 1.00 0.00 O ATOM 0 H GLY A 51 -9.152 9.264 0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.069 11.299 1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.912 11.223 3.189 1.00 0.00 H new ATOM 693 N GLU A 52 -8.572 12.682 0.440 1.00 0.00 N ATOM 694 CA GLU A 52 -7.861 13.604 -0.443 1.00 0.00 C ATOM 695 C GLU A 52 -6.529 13.070 -0.990 1.00 0.00 C ATOM 696 O GLU A 52 -6.513 12.424 -2.034 1.00 0.00 O ATOM 697 CB GLU A 52 -7.744 14.985 0.232 1.00 0.00 C ATOM 698 CG GLU A 52 -9.062 15.463 0.864 1.00 0.00 C ATOM 699 CD GLU A 52 -10.256 15.332 -0.077 1.00 0.00 C ATOM 700 OE1 GLU A 52 -10.470 16.279 -0.863 1.00 0.00 O ATOM 701 OE2 GLU A 52 -10.917 14.272 -0.001 1.00 0.00 O ATOM 0 H GLU A 52 -9.582 12.780 0.341 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.462 13.713 -1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.974 14.942 1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.416 15.717 -0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.255 14.887 1.769 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.957 16.505 1.166 1.00 0.00 H new ATOM 708 N ARG A 53 -5.410 13.328 -0.304 1.00 0.00 N ATOM 709 CA ARG A 53 -4.081 12.893 -0.695 1.00 0.00 C ATOM 710 C ARG A 53 -4.024 11.392 -1.008 1.00 0.00 C ATOM 711 O ARG A 53 -3.285 10.961 -1.888 1.00 0.00 O ATOM 712 CB ARG A 53 -3.114 13.280 0.434 1.00 0.00 C ATOM 713 CG ARG A 53 -3.353 12.505 1.743 1.00 0.00 C ATOM 714 CD ARG A 53 -2.448 12.980 2.882 1.00 0.00 C ATOM 715 NE ARG A 53 -1.055 12.653 2.567 1.00 0.00 N ATOM 716 CZ ARG A 53 -0.202 11.918 3.292 1.00 0.00 C ATOM 717 NH1 ARG A 53 -0.411 11.638 4.583 1.00 0.00 N ATOM 718 NH2 ARG A 53 0.885 11.468 2.670 1.00 0.00 N ATOM 0 H ARG A 53 -5.414 13.863 0.565 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.793 13.388 -1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.091 13.106 0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.208 14.348 0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.395 12.616 2.042 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.183 11.443 1.568 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.557 14.055 3.024 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.742 12.504 3.817 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.692 13.030 1.692 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.246 11.988 5.052 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.265 11.074 5.098 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.037 11.688 1.686 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.566 10.904 3.178 1.00 0.00 H new ATOM 732 N LYS A 54 -4.825 10.604 -0.288 1.00 0.00 N ATOM 733 CA LYS A 54 -4.880 9.157 -0.406 1.00 0.00 C ATOM 734 C LYS A 54 -5.868 8.705 -1.485 1.00 0.00 C ATOM 735 O LYS A 54 -6.136 7.514 -1.590 1.00 0.00 O ATOM 736 CB LYS A 54 -5.272 8.556 0.947 1.00 0.00 C ATOM 737 CG LYS A 54 -4.545 9.219 2.121 1.00 0.00 C ATOM 738 CD LYS A 54 -4.775 8.512 3.464 1.00 0.00 C ATOM 739 CE LYS A 54 -4.579 9.465 4.647 1.00 0.00 C ATOM 740 NZ LYS A 54 -5.679 10.444 4.738 1.00 0.00 N ATOM 0 H LYS A 54 -5.470 10.972 0.412 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.892 8.804 -0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.348 8.658 1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.051 7.489 0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.476 9.241 1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.875 10.255 2.204 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.784 8.101 3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.087 7.672 3.556 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.523 8.892 5.572 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.630 9.991 4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.756 10.790 5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.485 11.244 4.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.572 9.989 4.460 1.00 0.00 H new ATOM 754 N ALA A 55 -6.447 9.611 -2.274 1.00 0.00 N ATOM 755 CA ALA A 55 -7.432 9.237 -3.287 1.00 0.00 C ATOM 756 C ALA A 55 -6.849 8.278 -4.331 1.00 0.00 C ATOM 757 O ALA A 55 -7.361 7.173 -4.518 1.00 0.00 O ATOM 758 CB ALA A 55 -8.019 10.489 -3.944 1.00 0.00 C ATOM 0 H ALA A 55 -6.250 10.611 -2.230 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.237 8.699 -2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.751 10.196 -4.696 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.504 11.104 -3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.220 11.060 -4.418 1.00 0.00 H new ATOM 764 N MET A 56 -5.776 8.692 -5.013 1.00 0.00 N ATOM 765 CA MET A 56 -5.132 7.868 -6.029 1.00 0.00 C ATOM 766 C MET A 56 -4.697 6.533 -5.416 1.00 0.00 C ATOM 767 O MET A 56 -4.931 5.472 -5.987 1.00 0.00 O ATOM 768 CB MET A 56 -3.959 8.640 -6.646 1.00 0.00 C ATOM 769 CG MET A 56 -3.310 7.858 -7.795 1.00 0.00 C ATOM 770 SD MET A 56 -2.087 8.799 -8.741 1.00 0.00 S ATOM 771 CE MET A 56 -1.510 7.506 -9.862 1.00 0.00 C ATOM 0 H MET A 56 -5.336 9.602 -4.874 1.00 0.00 H new ATOM 0 HA MET A 56 -5.833 7.640 -6.832 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.311 9.604 -7.014 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.213 8.845 -5.878 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.830 6.968 -7.388 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.092 7.516 -8.473 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.745 7.913 -10.524 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.089 6.684 -9.283 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.347 7.140 -10.456 1.00 0.00 H new ATOM 781 N MET A 57 -4.083 6.611 -4.235 1.00 0.00 N ATOM 782 CA MET A 57 -3.651 5.476 -3.436 1.00 0.00 C ATOM 783 C MET A 57 -4.819 4.499 -3.263 1.00 0.00 C ATOM 784 O MET A 57 -4.717 3.320 -3.606 1.00 0.00 O ATOM 785 CB MET A 57 -3.133 6.033 -2.098 1.00 0.00 C ATOM 786 CG MET A 57 -2.867 4.974 -1.031 1.00 0.00 C ATOM 787 SD MET A 57 -1.745 3.673 -1.571 1.00 0.00 S ATOM 788 CE MET A 57 -2.585 2.168 -1.050 1.00 0.00 C ATOM 0 H MET A 57 -3.867 7.506 -3.796 1.00 0.00 H new ATOM 0 HA MET A 57 -2.849 4.915 -3.916 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.211 6.585 -2.281 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.860 6.746 -1.710 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.451 5.457 -0.147 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.814 4.525 -0.733 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.304 1.347 -1.710 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.297 1.926 -0.027 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.664 2.318 -1.097 1.00 0.00 H new ATOM 798 N THR A 58 -5.944 5.014 -2.757 1.00 0.00 N ATOM 799 CA THR A 58 -7.163 4.254 -2.536 1.00 0.00 C ATOM 800 C THR A 58 -7.586 3.573 -3.835 1.00 0.00 C ATOM 801 O THR A 58 -7.756 2.356 -3.863 1.00 0.00 O ATOM 802 CB THR A 58 -8.261 5.163 -1.955 1.00 0.00 C ATOM 803 OG1 THR A 58 -7.853 5.643 -0.691 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.586 4.428 -1.761 1.00 0.00 C ATOM 0 H THR A 58 -6.027 5.994 -2.486 1.00 0.00 H new ATOM 0 HA THR A 58 -6.985 3.470 -1.801 1.00 0.00 H new ATOM 0 HB THR A 58 -8.410 5.973 -2.669 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.162 6.328 -0.809 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.326 5.114 -1.349 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.937 4.050 -2.721 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.442 3.594 -1.074 1.00 0.00 H new ATOM 812 N ASN A 59 -7.735 4.343 -4.916 1.00 0.00 N ATOM 813 CA ASN A 59 -8.133 3.790 -6.205 1.00 0.00 C ATOM 814 C ASN A 59 -7.179 2.675 -6.635 1.00 0.00 C ATOM 815 O ASN A 59 -7.642 1.636 -7.106 1.00 0.00 O ATOM 816 CB ASN A 59 -8.187 4.899 -7.263 1.00 0.00 C ATOM 817 CG ASN A 59 -8.783 4.494 -8.619 1.00 0.00 C ATOM 818 OD1 ASN A 59 -9.073 5.368 -9.426 1.00 0.00 O ATOM 819 ND2 ASN A 59 -8.989 3.212 -8.929 1.00 0.00 N ATOM 0 H ASN A 59 -7.585 5.352 -4.920 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.129 3.359 -6.104 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.770 5.729 -6.864 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.175 5.269 -7.427 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.386 2.964 -9.835 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.749 2.481 -8.260 1.00 0.00 H new ATOM 826 N ALA A 60 -5.869 2.886 -6.492 1.00 0.00 N ATOM 827 CA ALA A 60 -4.880 1.909 -6.916 1.00 0.00 C ATOM 828 C ALA A 60 -5.103 0.580 -6.199 1.00 0.00 C ATOM 829 O ALA A 60 -5.359 -0.441 -6.835 1.00 0.00 O ATOM 830 CB ALA A 60 -3.465 2.453 -6.690 1.00 0.00 C ATOM 0 H ALA A 60 -5.473 3.732 -6.083 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.994 1.725 -7.984 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.734 1.711 -7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.331 3.368 -7.266 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.322 2.667 -5.631 1.00 0.00 H new ATOM 836 N VAL A 61 -5.041 0.586 -4.867 1.00 0.00 N ATOM 837 CA VAL A 61 -5.197 -0.652 -4.114 1.00 0.00 C ATOM 838 C VAL A 61 -6.608 -1.238 -4.251 1.00 0.00 C ATOM 839 O VAL A 61 -6.763 -2.458 -4.245 1.00 0.00 O ATOM 840 CB VAL A 61 -4.745 -0.446 -2.667 1.00 0.00 C ATOM 841 CG1 VAL A 61 -5.674 0.486 -1.896 1.00 0.00 C ATOM 842 CG2 VAL A 61 -4.624 -1.770 -1.911 1.00 0.00 C ATOM 0 H VAL A 61 -4.887 1.419 -4.299 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.544 -1.412 -4.543 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.761 0.018 -2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.310 0.600 -0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.698 1.461 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.679 0.065 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.301 -1.577 -0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.592 -2.271 -1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.893 -2.407 -2.408 1.00 0.00 H new ATOM 852 N LYS A 62 -7.640 -0.401 -4.411 1.00 0.00 N ATOM 853 CA LYS A 62 -9.013 -0.863 -4.587 1.00 0.00 C ATOM 854 C LYS A 62 -9.148 -1.779 -5.807 1.00 0.00 C ATOM 855 O LYS A 62 -10.075 -2.583 -5.862 1.00 0.00 O ATOM 856 CB LYS A 62 -9.960 0.347 -4.644 1.00 0.00 C ATOM 857 CG LYS A 62 -11.442 -0.042 -4.758 1.00 0.00 C ATOM 858 CD LYS A 62 -12.373 1.179 -4.669 1.00 0.00 C ATOM 859 CE LYS A 62 -12.933 1.432 -3.261 1.00 0.00 C ATOM 860 NZ LYS A 62 -11.880 1.675 -2.261 1.00 0.00 N ATOM 0 H LYS A 62 -7.542 0.614 -4.421 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.298 -1.471 -3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.819 0.952 -3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.689 0.971 -5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.609 -0.556 -5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.693 -0.746 -3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.828 2.064 -4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.204 1.041 -5.361 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.604 2.291 -3.291 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.529 0.573 -2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.274 2.221 -1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.518 0.765 -1.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.103 2.211 -2.698 1.00 0.00 H new ATOM 874 N LYS A 63 -8.245 -1.677 -6.788 1.00 0.00 N ATOM 875 CA LYS A 63 -8.278 -2.536 -7.954 1.00 0.00 C ATOM 876 C LYS A 63 -7.761 -3.956 -7.645 1.00 0.00 C ATOM 877 O LYS A 63 -7.919 -4.851 -8.472 1.00 0.00 O ATOM 878 CB LYS A 63 -7.514 -1.841 -9.090 1.00 0.00 C ATOM 879 CG LYS A 63 -8.461 -1.325 -10.183 1.00 0.00 C ATOM 880 CD LYS A 63 -9.440 -0.277 -9.629 1.00 0.00 C ATOM 881 CE LYS A 63 -10.283 0.325 -10.758 1.00 0.00 C ATOM 882 NZ LYS A 63 -11.352 1.191 -10.228 1.00 0.00 N ATOM 0 H LYS A 63 -7.482 -1.000 -6.788 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.309 -2.687 -8.274 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.939 -1.008 -8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.800 -2.539 -9.528 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.879 -0.888 -10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.020 -2.160 -10.606 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.092 -0.737 -8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.886 0.513 -9.121 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.642 0.902 -11.425 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.723 -0.476 -11.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.668 1.847 -10.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.154 0.604 -9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.990 1.734 -9.418 1.00 0.00 H new ATOM 896 N ALA A 64 -7.135 -4.172 -6.480 1.00 0.00 N ATOM 897 CA ALA A 64 -6.627 -5.465 -6.031 1.00 0.00 C ATOM 898 C ALA A 64 -7.680 -6.171 -5.165 1.00 0.00 C ATOM 899 O ALA A 64 -8.749 -5.622 -4.909 1.00 0.00 O ATOM 900 CB ALA A 64 -5.318 -5.223 -5.277 1.00 0.00 C ATOM 0 H ALA A 64 -6.965 -3.425 -5.807 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.426 -6.124 -6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.917 -6.175 -4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.598 -4.746 -5.942 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.506 -4.575 -4.421 1.00 0.00 H new ATOM 906 N SER A 65 -7.386 -7.398 -4.715 1.00 0.00 N ATOM 907 CA SER A 65 -8.285 -8.208 -3.890 1.00 0.00 C ATOM 908 C SER A 65 -7.569 -8.625 -2.604 1.00 0.00 C ATOM 909 O SER A 65 -6.342 -8.649 -2.571 1.00 0.00 O ATOM 910 CB SER A 65 -8.756 -9.429 -4.687 1.00 0.00 C ATOM 911 OG SER A 65 -9.727 -10.151 -3.955 1.00 0.00 O ATOM 0 H SER A 65 -6.501 -7.862 -4.919 1.00 0.00 H new ATOM 0 HA SER A 65 -9.163 -7.623 -3.615 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.174 -9.109 -5.641 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.907 -10.074 -4.912 1.00 0.00 H new ATOM 0 HG SER A 65 -10.020 -10.927 -4.477 1.00 0.00 H new ATOM 917 N ASP A 66 -8.327 -8.968 -1.556 1.00 0.00 N ATOM 918 CA ASP A 66 -7.842 -9.324 -0.221 1.00 0.00 C ATOM 919 C ASP A 66 -6.579 -10.188 -0.228 1.00 0.00 C ATOM 920 O ASP A 66 -5.660 -9.942 0.553 1.00 0.00 O ATOM 921 CB ASP A 66 -8.957 -10.010 0.579 1.00 0.00 C ATOM 922 CG ASP A 66 -10.131 -9.069 0.830 1.00 0.00 C ATOM 923 OD1 ASP A 66 -10.851 -8.798 -0.155 1.00 0.00 O ATOM 924 OD2 ASP A 66 -10.275 -8.629 1.992 1.00 0.00 O ATOM 0 H ASP A 66 -9.344 -9.006 -1.621 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.559 -8.388 0.260 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.305 -10.890 0.038 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.560 -10.359 1.532 1.00 0.00 H new ATOM 929 N GLU A 67 -6.535 -11.218 -1.077 1.00 0.00 N ATOM 930 CA GLU A 67 -5.369 -12.089 -1.186 1.00 0.00 C ATOM 931 C GLU A 67 -4.137 -11.252 -1.546 1.00 0.00 C ATOM 932 O GLU A 67 -3.100 -11.316 -0.885 1.00 0.00 O ATOM 933 CB GLU A 67 -5.653 -13.200 -2.211 1.00 0.00 C ATOM 934 CG GLU A 67 -4.811 -14.462 -1.965 1.00 0.00 C ATOM 935 CD GLU A 67 -3.312 -14.226 -2.127 1.00 0.00 C ATOM 936 OE1 GLU A 67 -2.933 -13.761 -3.222 1.00 0.00 O ATOM 937 OE2 GLU A 67 -2.581 -14.512 -1.154 1.00 0.00 O ATOM 0 H GLU A 67 -7.301 -11.468 -1.702 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.162 -12.574 -0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.711 -13.461 -2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.452 -12.824 -3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.007 -14.831 -0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.126 -15.242 -2.658 1.00 0.00 H new ATOM 944 N GLU A 68 -4.292 -10.434 -2.587 1.00 0.00 N ATOM 945 CA GLU A 68 -3.272 -9.532 -3.070 1.00 0.00 C ATOM 946 C GLU A 68 -2.866 -8.604 -1.929 1.00 0.00 C ATOM 947 O GLU A 68 -1.678 -8.432 -1.702 1.00 0.00 O ATOM 948 CB GLU A 68 -3.785 -8.710 -4.262 1.00 0.00 C ATOM 949 CG GLU A 68 -4.499 -9.494 -5.377 1.00 0.00 C ATOM 950 CD GLU A 68 -3.549 -10.406 -6.150 1.00 0.00 C ATOM 951 OE1 GLU A 68 -3.101 -11.406 -5.550 1.00 0.00 O ATOM 952 OE2 GLU A 68 -3.286 -10.084 -7.328 1.00 0.00 O ATOM 0 H GLU A 68 -5.157 -10.387 -3.125 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.412 -10.109 -3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.471 -7.952 -3.884 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.939 -8.183 -4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.298 -10.093 -4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.967 -8.793 -6.068 1.00 0.00 H new ATOM 959 N LEU A 69 -3.829 -8.008 -1.211 1.00 0.00 N ATOM 960 CA LEU A 69 -3.576 -7.105 -0.116 1.00 0.00 C ATOM 961 C LEU A 69 -2.708 -7.755 0.958 1.00 0.00 C ATOM 962 O LEU A 69 -1.687 -7.187 1.346 1.00 0.00 O ATOM 963 CB LEU A 69 -4.912 -6.668 0.471 1.00 0.00 C ATOM 964 CG LEU A 69 -5.901 -6.028 -0.508 1.00 0.00 C ATOM 965 CD1 LEU A 69 -6.964 -5.291 0.297 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.247 -5.054 -1.487 1.00 0.00 C ATOM 0 H LEU A 69 -4.822 -8.154 -1.392 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.029 -6.239 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.390 -7.538 0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.718 -5.959 1.275 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.330 -6.830 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.679 -4.828 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.484 -5.997 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.490 -4.521 0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.007 -4.639 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.769 -4.246 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.498 -5.581 -2.078 1.00 0.00 H new ATOM 978 N LYS A 70 -3.110 -8.934 1.443 1.00 0.00 N ATOM 979 CA LYS A 70 -2.339 -9.659 2.445 1.00 0.00 C ATOM 980 C LYS A 70 -0.927 -9.894 1.919 1.00 0.00 C ATOM 981 O LYS A 70 0.053 -9.658 2.622 1.00 0.00 O ATOM 982 CB LYS A 70 -3.012 -10.995 2.787 1.00 0.00 C ATOM 983 CG LYS A 70 -4.258 -10.780 3.653 1.00 0.00 C ATOM 984 CD LYS A 70 -4.862 -12.100 4.154 1.00 0.00 C ATOM 985 CE LYS A 70 -5.392 -12.997 3.029 1.00 0.00 C ATOM 986 NZ LYS A 70 -6.436 -12.320 2.242 1.00 0.00 N ATOM 0 H LYS A 70 -3.968 -9.404 1.154 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.292 -9.065 3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.289 -11.512 1.868 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.306 -11.637 3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.999 -10.155 4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.007 -10.237 3.077 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.105 -12.646 4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.675 -11.879 4.845 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.570 -13.283 2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.795 -13.916 3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.866 -12.997 1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.167 -11.949 2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.013 -11.534 1.707 1.00 0.00 H new ATOM 1000 N ALA A 71 -0.822 -10.345 0.670 1.00 0.00 N ATOM 1001 CA ALA A 71 0.467 -10.605 0.063 1.00 0.00 C ATOM 1002 C ALA A 71 1.289 -9.332 -0.136 1.00 0.00 C ATOM 1003 O ALA A 71 2.510 -9.379 -0.036 1.00 0.00 O ATOM 1004 CB ALA A 71 0.256 -11.351 -1.251 1.00 0.00 C ATOM 0 H ALA A 71 -1.620 -10.536 0.064 1.00 0.00 H new ATOM 0 HA ALA A 71 1.050 -11.227 0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.222 -11.551 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.255 -12.294 -1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.350 -10.742 -1.922 1.00 0.00 H new ATOM 1010 N LEU A 72 0.655 -8.192 -0.416 1.00 0.00 N ATOM 1011 CA LEU A 72 1.311 -6.928 -0.609 1.00 0.00 C ATOM 1012 C LEU A 72 1.891 -6.507 0.739 1.00 0.00 C ATOM 1013 O LEU A 72 3.073 -6.175 0.827 1.00 0.00 O ATOM 1014 CB LEU A 72 0.247 -5.963 -1.140 1.00 0.00 C ATOM 1015 CG LEU A 72 0.389 -5.608 -2.625 1.00 0.00 C ATOM 1016 CD1 LEU A 72 -0.891 -4.892 -3.070 1.00 0.00 C ATOM 1017 CD2 LEU A 72 1.626 -4.740 -2.881 1.00 0.00 C ATOM 0 H LEU A 72 -0.359 -8.137 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 72 2.133 -6.956 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.737 -6.403 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.285 -5.044 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 72 0.526 -6.520 -3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.813 -4.629 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.747 -5.551 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.025 -3.986 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.694 -4.508 -3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.545 -3.814 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.520 -5.280 -2.569 1.00 0.00 H new ATOM 1029 N ALA A 73 1.060 -6.545 1.789 1.00 0.00 N ATOM 1030 CA ALA A 73 1.507 -6.293 3.148 1.00 0.00 C ATOM 1031 C ALA A 73 2.697 -7.195 3.482 1.00 0.00 C ATOM 1032 O ALA A 73 3.741 -6.708 3.913 1.00 0.00 O ATOM 1033 CB ALA A 73 0.352 -6.531 4.124 1.00 0.00 C ATOM 0 H ALA A 73 0.064 -6.751 1.712 1.00 0.00 H new ATOM 0 HA ALA A 73 1.828 -5.255 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.691 -6.341 5.142 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.471 -5.858 3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.013 -7.564 4.041 1.00 0.00 H new ATOM 1039 N ASP A 74 2.553 -8.509 3.273 1.00 0.00 N ATOM 1040 CA ASP A 74 3.625 -9.462 3.533 1.00 0.00 C ATOM 1041 C ASP A 74 4.902 -9.066 2.790 1.00 0.00 C ATOM 1042 O ASP A 74 5.957 -8.957 3.411 1.00 0.00 O ATOM 1043 CB ASP A 74 3.196 -10.881 3.152 1.00 0.00 C ATOM 1044 CG ASP A 74 4.331 -11.870 3.403 1.00 0.00 C ATOM 1045 OD1 ASP A 74 4.504 -12.248 4.582 1.00 0.00 O ATOM 1046 OD2 ASP A 74 5.012 -12.220 2.415 1.00 0.00 O ATOM 0 H ASP A 74 1.695 -8.934 2.921 1.00 0.00 H new ATOM 0 HA ASP A 74 3.837 -9.445 4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.320 -11.170 3.732 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.907 -10.910 2.101 1.00 0.00 H new ATOM 1051 N TYR A 75 4.804 -8.839 1.475 1.00 0.00 N ATOM 1052 CA TYR A 75 5.934 -8.459 0.641 1.00 0.00 C ATOM 1053 C TYR A 75 6.642 -7.242 1.233 1.00 0.00 C ATOM 1054 O TYR A 75 7.829 -7.284 1.543 1.00 0.00 O ATOM 1055 CB TYR A 75 5.447 -8.172 -0.787 1.00 0.00 C ATOM 1056 CG TYR A 75 6.563 -7.946 -1.788 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.187 -6.687 -1.882 1.00 0.00 C ATOM 1058 CD2 TYR A 75 7.030 -9.017 -2.574 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.292 -6.513 -2.730 1.00 0.00 C ATOM 1060 CE2 TYR A 75 8.111 -8.828 -3.453 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.742 -7.574 -3.529 1.00 0.00 C ATOM 1062 OH TYR A 75 9.790 -7.381 -4.379 1.00 0.00 O ATOM 0 H TYR A 75 3.926 -8.917 0.961 1.00 0.00 H new ATOM 0 HA TYR A 75 6.650 -9.280 0.606 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.834 -9.007 -1.125 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.805 -7.292 -0.770 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.815 -5.855 -1.302 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.557 -9.985 -2.502 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.797 -5.559 -2.767 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.456 -9.645 -4.069 1.00 0.00 H new ATOM 0 HH TYR A 75 9.979 -8.214 -4.860 1.00 0.00 H new ATOM 1072 N MET A 76 5.900 -6.147 1.399 1.00 0.00 N ATOM 1073 CA MET A 76 6.455 -4.912 1.934 1.00 0.00 C ATOM 1074 C MET A 76 6.945 -5.068 3.375 1.00 0.00 C ATOM 1075 O MET A 76 7.793 -4.296 3.812 1.00 0.00 O ATOM 1076 CB MET A 76 5.451 -3.776 1.768 1.00 0.00 C ATOM 1077 CG MET A 76 5.355 -3.415 0.279 1.00 0.00 C ATOM 1078 SD MET A 76 4.487 -1.883 -0.107 1.00 0.00 S ATOM 1079 CE MET A 76 2.834 -2.340 0.421 1.00 0.00 C ATOM 0 H MET A 76 4.908 -6.094 1.168 1.00 0.00 H new ATOM 0 HA MET A 76 7.345 -4.658 1.358 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.474 -4.077 2.147 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.764 -2.908 2.348 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.365 -3.349 -0.124 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.857 -4.233 -0.242 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.138 -1.538 0.173 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.529 -3.255 -0.088 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.829 -2.505 1.498 1.00 0.00 H new ATOM 1089 N SER A 77 6.433 -6.056 4.108 1.00 0.00 N ATOM 1090 CA SER A 77 6.918 -6.409 5.437 1.00 0.00 C ATOM 1091 C SER A 77 8.123 -7.356 5.370 1.00 0.00 C ATOM 1092 O SER A 77 8.481 -7.941 6.393 1.00 0.00 O ATOM 1093 CB SER A 77 5.787 -7.014 6.270 1.00 0.00 C ATOM 1094 OG SER A 77 6.181 -7.102 7.627 1.00 0.00 O ATOM 0 H SER A 77 5.660 -6.640 3.789 1.00 0.00 H new ATOM 0 HA SER A 77 7.258 -5.495 5.924 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.890 -6.400 6.182 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.534 -8.004 5.891 1.00 0.00 H new ATOM 0 HG SER A 77 7.111 -7.406 7.679 1.00 0.00 H new ATOM 1100 N LYS A 78 8.737 -7.516 4.196 1.00 0.00 N ATOM 1101 CA LYS A 78 9.901 -8.349 3.963 1.00 0.00 C ATOM 1102 C LYS A 78 10.688 -7.629 2.864 1.00 0.00 C ATOM 1103 O LYS A 78 11.066 -8.225 1.856 1.00 0.00 O ATOM 1104 CB LYS A 78 9.395 -9.739 3.545 1.00 0.00 C ATOM 1105 CG LYS A 78 10.479 -10.821 3.590 1.00 0.00 C ATOM 1106 CD LYS A 78 9.989 -12.126 2.942 1.00 0.00 C ATOM 1107 CE LYS A 78 8.664 -12.654 3.513 1.00 0.00 C ATOM 1108 NZ LYS A 78 8.719 -12.827 4.975 1.00 0.00 N ATOM 0 H LYS A 78 8.417 -7.045 3.350 1.00 0.00 H new ATOM 0 HA LYS A 78 10.547 -8.496 4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.574 -10.031 4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.991 -9.682 2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.371 -10.468 3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.765 -11.011 4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.871 -11.964 1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.756 -12.891 3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.860 -11.963 3.260 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.423 -13.608 3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.835 -13.264 5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.522 -13.440 5.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.839 -11.900 5.430 1.00 0.00 H new ATOM 1122 N LEU A 79 10.895 -6.325 3.059 1.00 0.00 N ATOM 1123 CA LEU A 79 11.447 -5.408 2.103 1.00 0.00 C ATOM 1124 C LEU A 79 12.171 -4.329 2.909 1.00 0.00 C ATOM 1125 O LEU A 79 11.709 -4.076 4.046 1.00 0.00 O ATOM 1126 CB LEU A 79 10.228 -4.854 1.360 1.00 0.00 C ATOM 1127 CG LEU A 79 10.583 -3.805 0.322 1.00 0.00 C ATOM 1128 CD1 LEU A 79 11.384 -4.422 -0.829 1.00 0.00 C ATOM 1129 CD2 LEU A 79 9.302 -3.158 -0.209 1.00 0.00 C ATOM 1130 OXT LEU A 79 13.164 -3.780 2.387 1.00 0.00 O ATOM 0 H LEU A 79 10.664 -5.871 3.943 1.00 0.00 H new ATOM 0 HA LEU A 79 12.155 -5.837 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.705 -5.676 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.537 -4.421 2.083 1.00 0.00 H new ATOM 0 HG LEU A 79 11.205 -3.043 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.626 -3.650 -1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.306 -4.855 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.791 -5.201 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.557 -2.405 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.671 -3.921 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.764 -2.687 0.614 1.00 0.00 H new