USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 774 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 65 LYS NZ :NH3+ -178:sc= 0.19 (180deg=-0.276) USER MOD Set 1.2: A 83 THR OG1 : rot -109:sc= 0.616 USER MOD Single : A 8 ASN : amide:sc= -0.669 K(o=-0.67,f=0) USER MOD Single : A 13 THR OG1 : rot 88:sc= 1.19 USER MOD Single : A 19 CYS SG : rot -62:sc= -2.23! USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= -0.0405 (180deg=-0.264) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0215 USER MOD Single : A 27 HIS : no HE2:sc= -1.18 K(o=0.15,f=-11!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -152:sc= 1.09 (180deg=0.459) USER MOD Single : A 40 SER OG : rot 180:sc= -1.57! USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= -0.0212 (180deg=-0.178) USER MOD Single : A 46 LYS NZ :NH3+ 136:sc= 0.572 (180deg=-1.23) USER MOD Single : A 53 GLN : amide:sc= -2.16! C(o=-2.2!,f=-4.8!) USER MOD Single : A 55 LYS NZ :NH3+ 145:sc= -0.931 (180deg=-2.61!) USER MOD Single : A 56 SER OG : rot -74:sc= 0.904 USER MOD Single : A 69 GLN : amide:sc= -1.61 X(o=-1.6,f=-1.6!) USER MOD Single : A 70 ASN : amide:sc= -3.15! C(o=-3.2!,f=-3!) USER MOD Single : A 72 SER OG : rot 164:sc= -1.18 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 170:sc=-0.00997 (180deg=-0.164) USER MOD Single : A 92 SER OG : rot 61:sc= 0.0996 USER MOD Single : A 97 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.137) USER MOD Single : A 106 MET CE :methyl -112:sc= -1.88 (180deg=-6.01!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -14.254 7.410 3.881 1.00 0.00 N ATOM 61 CA GLY A 5 -13.449 8.350 4.646 1.00 0.00 C ATOM 62 C GLY A 5 -12.306 7.692 5.399 1.00 0.00 C ATOM 63 O GLY A 5 -11.641 8.336 6.210 1.00 0.00 O ATOM 0 HA2 GLY A 5 -13.043 9.103 3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.090 8.871 5.357 1.00 0.00 H new ATOM 67 N ILE A 6 -12.071 6.409 5.142 1.00 0.00 N ATOM 68 CA ILE A 6 -10.944 5.717 5.752 1.00 0.00 C ATOM 69 C ILE A 6 -9.648 6.237 5.152 1.00 0.00 C ATOM 70 O ILE A 6 -8.634 6.388 5.836 1.00 0.00 O ATOM 71 CB ILE A 6 -11.024 4.190 5.554 1.00 0.00 C ATOM 72 CG1 ILE A 6 -12.256 3.621 6.257 1.00 0.00 C ATOM 73 CG2 ILE A 6 -9.763 3.517 6.074 1.00 0.00 C ATOM 74 CD1 ILE A 6 -12.336 2.112 6.199 1.00 0.00 C ATOM 0 H ILE A 6 -12.640 5.833 4.522 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.975 5.914 6.824 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.110 3.988 4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.249 3.937 7.300 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.152 4.043 5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.838 2.440 5.926 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.897 3.899 5.533 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.649 3.730 7.137 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -13.234 1.775 6.717 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.375 1.789 5.159 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.457 1.682 6.680 1.00 0.00 H new ATOM 86 N LEU A 7 -9.702 6.534 3.871 1.00 0.00 N ATOM 87 CA LEU A 7 -8.573 7.107 3.173 1.00 0.00 C ATOM 88 C LEU A 7 -9.029 8.322 2.384 1.00 0.00 C ATOM 89 O LEU A 7 -10.172 8.384 1.923 1.00 0.00 O ATOM 90 CB LEU A 7 -7.834 6.064 2.285 1.00 0.00 C ATOM 91 CG LEU A 7 -8.607 5.327 1.156 1.00 0.00 C ATOM 92 CD1 LEU A 7 -9.827 4.581 1.674 1.00 0.00 C ATOM 93 CD2 LEU A 7 -8.993 6.269 0.023 1.00 0.00 C ATOM 0 H LEU A 7 -10.525 6.386 3.288 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.837 7.430 3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.988 6.572 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.424 5.303 2.949 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.918 4.583 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.329 4.085 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.514 3.837 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.513 5.286 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.531 5.713 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.631 7.063 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.093 6.706 -0.409 1.00 0.00 H new ATOM 105 N ASN A 8 -8.156 9.302 2.277 1.00 0.00 N ATOM 106 CA ASN A 8 -8.470 10.524 1.561 1.00 0.00 C ATOM 107 C ASN A 8 -8.079 10.364 0.104 1.00 0.00 C ATOM 108 O ASN A 8 -6.894 10.375 -0.230 1.00 0.00 O ATOM 109 CB ASN A 8 -7.723 11.715 2.173 1.00 0.00 C ATOM 110 CG ASN A 8 -8.032 11.928 3.646 1.00 0.00 C ATOM 111 OD1 ASN A 8 -7.171 12.366 4.410 1.00 0.00 O ATOM 112 ND2 ASN A 8 -9.257 11.627 4.057 1.00 0.00 N ATOM 0 H ASN A 8 -7.219 9.277 2.678 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.541 10.715 1.636 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.650 11.563 2.053 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.981 12.619 1.621 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.513 11.756 5.036 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.943 11.266 3.394 1.00 0.00 H new ATOM 119 N ASP A 9 -9.077 10.215 -0.758 1.00 0.00 N ATOM 120 CA ASP A 9 -8.843 9.947 -2.177 1.00 0.00 C ATOM 121 C ASP A 9 -7.987 11.038 -2.801 1.00 0.00 C ATOM 122 O ASP A 9 -7.221 10.781 -3.723 1.00 0.00 O ATOM 123 CB ASP A 9 -10.171 9.827 -2.933 1.00 0.00 C ATOM 124 CG ASP A 9 -10.615 11.128 -3.578 1.00 0.00 C ATOM 125 OD1 ASP A 9 -11.087 12.025 -2.852 1.00 0.00 O ATOM 126 OD2 ASP A 9 -10.493 11.256 -4.817 1.00 0.00 O ATOM 0 H ASP A 9 -10.062 10.275 -0.500 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.309 9.000 -2.254 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.075 9.062 -3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.944 9.489 -2.243 1.00 0.00 H new ATOM 131 N ALA A 10 -8.117 12.251 -2.282 1.00 0.00 N ATOM 132 CA ALA A 10 -7.341 13.384 -2.765 1.00 0.00 C ATOM 133 C ALA A 10 -5.859 13.207 -2.452 1.00 0.00 C ATOM 134 O ALA A 10 -5.000 13.590 -3.243 1.00 0.00 O ATOM 135 CB ALA A 10 -7.861 14.672 -2.153 1.00 0.00 C ATOM 0 H ALA A 10 -8.758 12.476 -1.521 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.452 13.437 -3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.273 15.513 -2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.906 14.811 -2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.778 14.619 -1.068 1.00 0.00 H new ATOM 141 N ASP A 11 -5.565 12.613 -1.301 1.00 0.00 N ATOM 142 CA ASP A 11 -4.184 12.365 -0.895 1.00 0.00 C ATOM 143 C ASP A 11 -3.591 11.234 -1.708 1.00 0.00 C ATOM 144 O ASP A 11 -2.439 11.296 -2.139 1.00 0.00 O ATOM 145 CB ASP A 11 -4.101 12.044 0.600 1.00 0.00 C ATOM 146 CG ASP A 11 -4.228 13.279 1.469 1.00 0.00 C ATOM 147 OD1 ASP A 11 -5.265 13.971 1.389 1.00 0.00 O ATOM 148 OD2 ASP A 11 -3.291 13.565 2.242 1.00 0.00 O ATOM 0 H ASP A 11 -6.264 12.293 -0.631 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.608 13.272 -1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.890 11.338 0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.151 11.552 0.810 1.00 0.00 H new ATOM 153 N ILE A 12 -4.393 10.206 -1.921 1.00 0.00 N ATOM 154 CA ILE A 12 -4.016 9.105 -2.791 1.00 0.00 C ATOM 155 C ILE A 12 -3.744 9.628 -4.202 1.00 0.00 C ATOM 156 O ILE A 12 -2.707 9.333 -4.799 1.00 0.00 O ATOM 157 CB ILE A 12 -5.126 8.028 -2.823 1.00 0.00 C ATOM 158 CG1 ILE A 12 -5.039 7.096 -1.607 1.00 0.00 C ATOM 159 CG2 ILE A 12 -5.071 7.207 -4.103 1.00 0.00 C ATOM 160 CD1 ILE A 12 -5.369 7.751 -0.284 1.00 0.00 C ATOM 0 H ILE A 12 -5.317 10.110 -1.500 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.108 8.646 -2.399 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.078 8.558 -2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.717 6.256 -1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.031 6.686 -1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.865 6.460 -4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.204 7.864 -4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.105 6.708 -4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.281 7.017 0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.676 8.572 -0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.388 8.136 -0.313 1.00 0.00 H new ATOM 172 N THR A 13 -4.670 10.437 -4.706 1.00 0.00 N ATOM 173 CA THR A 13 -4.545 11.032 -6.029 1.00 0.00 C ATOM 174 C THR A 13 -3.320 11.948 -6.104 1.00 0.00 C ATOM 175 O THR A 13 -2.681 12.048 -7.142 1.00 0.00 O ATOM 176 CB THR A 13 -5.820 11.828 -6.403 1.00 0.00 C ATOM 177 OG1 THR A 13 -6.977 10.980 -6.306 1.00 0.00 O ATOM 178 CG2 THR A 13 -5.729 12.391 -7.812 1.00 0.00 C ATOM 0 H THR A 13 -5.523 10.697 -4.211 1.00 0.00 H new ATOM 0 HA THR A 13 -4.419 10.219 -6.744 1.00 0.00 H new ATOM 0 HB THR A 13 -5.909 12.659 -5.703 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.329 11.010 -5.392 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.640 12.944 -8.042 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.871 13.060 -7.882 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.611 11.574 -8.523 1.00 0.00 H new ATOM 186 N ALA A 14 -2.988 12.599 -4.991 1.00 0.00 N ATOM 187 CA ALA A 14 -1.815 13.466 -4.934 1.00 0.00 C ATOM 188 C ALA A 14 -0.534 12.656 -5.115 1.00 0.00 C ATOM 189 O ALA A 14 0.332 13.010 -5.925 1.00 0.00 O ATOM 190 CB ALA A 14 -1.776 14.225 -3.617 1.00 0.00 C ATOM 0 H ALA A 14 -3.514 12.542 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.886 14.186 -5.749 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.895 14.866 -3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.673 14.837 -3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.732 13.516 -2.790 1.00 0.00 H new ATOM 196 N ALA A 15 -0.415 11.575 -4.350 1.00 0.00 N ATOM 197 CA ALA A 15 0.719 10.670 -4.476 1.00 0.00 C ATOM 198 C ALA A 15 0.806 10.105 -5.890 1.00 0.00 C ATOM 199 O ALA A 15 1.880 10.058 -6.483 1.00 0.00 O ATOM 200 CB ALA A 15 0.608 9.542 -3.461 1.00 0.00 C ATOM 0 H ALA A 15 -1.092 11.306 -3.636 1.00 0.00 H new ATOM 0 HA ALA A 15 1.631 11.233 -4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.462 8.873 -3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.595 9.959 -2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.313 8.985 -3.635 1.00 0.00 H new ATOM 206 N LEU A 16 -0.337 9.704 -6.432 1.00 0.00 N ATOM 207 CA LEU A 16 -0.398 9.128 -7.771 1.00 0.00 C ATOM 208 C LEU A 16 -0.121 10.177 -8.846 1.00 0.00 C ATOM 209 O LEU A 16 0.350 9.851 -9.930 1.00 0.00 O ATOM 210 CB LEU A 16 -1.763 8.480 -8.001 1.00 0.00 C ATOM 211 CG LEU A 16 -2.037 7.247 -7.142 1.00 0.00 C ATOM 212 CD1 LEU A 16 -3.502 6.871 -7.211 1.00 0.00 C ATOM 213 CD2 LEU A 16 -1.171 6.079 -7.592 1.00 0.00 C ATOM 0 H LEU A 16 -1.240 9.767 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 16 0.378 8.366 -7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.539 9.221 -7.807 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.845 8.200 -9.051 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.786 7.486 -6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.681 5.991 -6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.108 7.700 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.773 6.651 -8.244 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.380 5.210 -6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.393 5.841 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.119 6.349 -7.498 1.00 0.00 H new ATOM 225 N ALA A 17 -0.408 11.435 -8.538 1.00 0.00 N ATOM 226 CA ALA A 17 -0.127 12.531 -9.457 1.00 0.00 C ATOM 227 C ALA A 17 1.374 12.738 -9.590 1.00 0.00 C ATOM 228 O ALA A 17 1.860 13.215 -10.613 1.00 0.00 O ATOM 229 CB ALA A 17 -0.802 13.813 -8.994 1.00 0.00 C ATOM 0 H ALA A 17 -0.836 11.722 -7.658 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.531 12.269 -10.435 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.578 14.616 -9.696 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.880 13.661 -8.949 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.432 14.082 -8.004 1.00 0.00 H new ATOM 235 N ALA A 18 2.105 12.394 -8.540 1.00 0.00 N ATOM 236 CA ALA A 18 3.558 12.407 -8.594 1.00 0.00 C ATOM 237 C ALA A 18 4.071 11.083 -9.146 1.00 0.00 C ATOM 238 O ALA A 18 4.977 11.046 -9.980 1.00 0.00 O ATOM 239 CB ALA A 18 4.139 12.664 -7.212 1.00 0.00 C ATOM 0 H ALA A 18 1.716 12.103 -7.643 1.00 0.00 H new ATOM 0 HA ALA A 18 3.877 13.212 -9.256 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.227 12.671 -7.270 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.790 13.629 -6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.817 11.877 -6.530 1.00 0.00 H new ATOM 245 N CYS A 19 3.456 10.002 -8.694 1.00 0.00 N ATOM 246 CA CYS A 19 3.861 8.653 -9.062 1.00 0.00 C ATOM 247 C CYS A 19 3.166 8.197 -10.351 1.00 0.00 C ATOM 248 O CYS A 19 2.829 7.027 -10.515 1.00 0.00 O ATOM 249 CB CYS A 19 3.546 7.706 -7.894 1.00 0.00 C ATOM 250 SG CYS A 19 4.037 5.985 -8.137 1.00 0.00 S ATOM 0 H CYS A 19 2.659 10.035 -8.059 1.00 0.00 H new ATOM 0 HA CYS A 19 4.933 8.638 -9.260 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.040 8.084 -6.999 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.473 7.736 -7.703 1.00 0.00 H new ATOM 0 HG CYS A 19 3.392 5.489 -9.151 1.00 0.00 H new ATOM 256 N LYS A 20 2.939 9.134 -11.263 1.00 0.00 N ATOM 257 CA LYS A 20 2.415 8.812 -12.570 1.00 0.00 C ATOM 258 C LYS A 20 3.539 8.831 -13.596 1.00 0.00 C ATOM 259 O LYS A 20 3.364 8.414 -14.741 1.00 0.00 O ATOM 260 CB LYS A 20 1.338 9.816 -12.961 1.00 0.00 C ATOM 261 CG LYS A 20 1.839 11.246 -13.074 1.00 0.00 C ATOM 262 CD LYS A 20 0.738 12.183 -13.545 1.00 0.00 C ATOM 263 CE LYS A 20 1.233 13.614 -13.674 1.00 0.00 C ATOM 264 NZ LYS A 20 2.357 13.735 -14.642 1.00 0.00 N ATOM 0 H LYS A 20 3.113 10.128 -11.113 1.00 0.00 H new ATOM 0 HA LYS A 20 1.975 7.815 -12.541 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.906 9.517 -13.916 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.537 9.780 -12.223 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.214 11.580 -12.106 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.676 11.286 -13.771 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.357 11.842 -14.508 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.095 12.148 -12.842 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.410 14.254 -13.993 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.556 13.974 -12.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.506 14.737 -14.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.224 13.347 -14.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.128 13.206 -15.508 1.00 0.00 H new ATOM 278 N ALA A 21 4.694 9.322 -13.168 1.00 0.00 N ATOM 279 CA ALA A 21 5.844 9.460 -14.045 1.00 0.00 C ATOM 280 C ALA A 21 6.466 8.104 -14.346 1.00 0.00 C ATOM 281 O ALA A 21 6.981 7.433 -13.450 1.00 0.00 O ATOM 282 CB ALA A 21 6.869 10.388 -13.417 1.00 0.00 C ATOM 0 H ALA A 21 4.858 9.633 -12.211 1.00 0.00 H new ATOM 0 HA ALA A 21 5.508 9.891 -14.988 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.727 10.485 -14.082 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.422 11.369 -13.256 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.195 9.977 -12.462 1.00 0.00 H new ATOM 288 N GLU A 22 6.401 7.699 -15.605 1.00 0.00 N ATOM 289 CA GLU A 22 6.990 6.438 -16.030 1.00 0.00 C ATOM 290 C GLU A 22 8.496 6.458 -15.803 1.00 0.00 C ATOM 291 O GLU A 22 9.192 7.374 -16.246 1.00 0.00 O ATOM 292 CB GLU A 22 6.675 6.168 -17.500 1.00 0.00 C ATOM 293 CG GLU A 22 5.186 6.107 -17.795 1.00 0.00 C ATOM 294 CD GLU A 22 4.891 5.701 -19.221 1.00 0.00 C ATOM 295 OE1 GLU A 22 4.819 6.588 -20.100 1.00 0.00 O ATOM 296 OE2 GLU A 22 4.737 4.491 -19.475 1.00 0.00 O ATOM 0 H GLU A 22 5.946 8.225 -16.351 1.00 0.00 H new ATOM 0 HA GLU A 22 6.558 5.634 -15.434 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.127 6.949 -18.111 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.136 5.225 -17.796 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.713 5.399 -17.115 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.741 7.082 -17.599 1.00 0.00 H new ATOM 303 N GLY A 23 8.987 5.452 -15.096 1.00 0.00 N ATOM 304 CA GLY A 23 10.393 5.393 -14.760 1.00 0.00 C ATOM 305 C GLY A 23 10.714 6.149 -13.483 1.00 0.00 C ATOM 306 O GLY A 23 11.878 6.252 -13.089 1.00 0.00 O ATOM 0 H GLY A 23 8.432 4.671 -14.747 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.694 4.351 -14.648 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.978 5.807 -15.581 1.00 0.00 H new ATOM 310 N SER A 24 9.686 6.692 -12.842 1.00 0.00 N ATOM 311 CA SER A 24 9.861 7.452 -11.612 1.00 0.00 C ATOM 312 C SER A 24 8.641 7.308 -10.708 1.00 0.00 C ATOM 313 O SER A 24 7.857 8.242 -10.540 1.00 0.00 O ATOM 314 CB SER A 24 10.108 8.926 -11.940 1.00 0.00 C ATOM 315 OG SER A 24 11.254 9.073 -12.763 1.00 0.00 O ATOM 0 H SER A 24 8.718 6.619 -13.156 1.00 0.00 H new ATOM 0 HA SER A 24 10.726 7.056 -11.080 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.236 9.342 -12.445 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.242 9.491 -11.018 1.00 0.00 H new ATOM 0 HG SER A 24 11.394 10.022 -12.963 1.00 0.00 H new ATOM 321 N PHE A 25 8.485 6.130 -10.129 1.00 0.00 N ATOM 322 CA PHE A 25 7.369 5.857 -9.235 1.00 0.00 C ATOM 323 C PHE A 25 7.865 5.757 -7.798 1.00 0.00 C ATOM 324 O PHE A 25 9.005 5.350 -7.556 1.00 0.00 O ATOM 325 CB PHE A 25 6.681 4.548 -9.624 1.00 0.00 C ATOM 326 CG PHE A 25 6.202 4.492 -11.051 1.00 0.00 C ATOM 327 CD1 PHE A 25 4.972 5.017 -11.404 1.00 0.00 C ATOM 328 CD2 PHE A 25 6.981 3.903 -12.033 1.00 0.00 C ATOM 329 CE1 PHE A 25 4.525 4.956 -12.711 1.00 0.00 C ATOM 330 CE2 PHE A 25 6.538 3.836 -13.340 1.00 0.00 C ATOM 331 CZ PHE A 25 5.308 4.365 -13.680 1.00 0.00 C ATOM 0 H PHE A 25 9.120 5.343 -10.262 1.00 0.00 H new ATOM 0 HA PHE A 25 6.653 6.675 -9.318 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.374 3.724 -9.455 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.830 4.390 -8.962 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.353 5.480 -10.650 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.945 3.492 -11.774 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.563 5.371 -12.973 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.153 3.370 -14.096 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.961 4.316 -14.701 1.00 0.00 H new ATOM 341 N ASP A 26 7.024 6.143 -6.851 1.00 0.00 N ATOM 342 CA ASP A 26 7.364 6.023 -5.440 1.00 0.00 C ATOM 343 C ASP A 26 6.301 5.222 -4.709 1.00 0.00 C ATOM 344 O ASP A 26 5.378 5.775 -4.109 1.00 0.00 O ATOM 345 CB ASP A 26 7.541 7.394 -4.789 1.00 0.00 C ATOM 346 CG ASP A 26 8.810 8.088 -5.235 1.00 0.00 C ATOM 347 OD1 ASP A 26 9.865 7.870 -4.607 1.00 0.00 O ATOM 348 OD2 ASP A 26 8.767 8.852 -6.217 1.00 0.00 O ATOM 0 H ASP A 26 6.103 6.541 -7.032 1.00 0.00 H new ATOM 0 HA ASP A 26 8.316 5.497 -5.368 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.683 8.021 -5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.555 7.279 -3.705 1.00 0.00 H new ATOM 353 N HIS A 27 6.456 3.913 -4.768 1.00 0.00 N ATOM 354 CA HIS A 27 5.492 2.972 -4.214 1.00 0.00 C ATOM 355 C HIS A 27 5.462 3.042 -2.687 1.00 0.00 C ATOM 356 O HIS A 27 4.392 3.103 -2.065 1.00 0.00 O ATOM 357 CB HIS A 27 5.872 1.573 -4.703 1.00 0.00 C ATOM 358 CG HIS A 27 4.826 0.520 -4.528 1.00 0.00 C ATOM 359 ND1 HIS A 27 4.147 -0.035 -5.587 1.00 0.00 N ATOM 360 CD2 HIS A 27 4.383 -0.116 -3.427 1.00 0.00 C ATOM 361 CE1 HIS A 27 3.330 -0.967 -5.145 1.00 0.00 C ATOM 362 NE2 HIS A 27 3.452 -1.042 -3.832 1.00 0.00 N ATOM 0 H HIS A 27 7.261 3.465 -5.205 1.00 0.00 H new ATOM 0 HA HIS A 27 4.486 3.223 -4.551 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.126 1.634 -5.761 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.772 1.256 -4.177 1.00 0.00 H new ATOM 0 HD1 HIS A 27 4.259 0.234 -6.564 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.701 0.068 -2.411 1.00 0.00 H new ATOM 0 HE1 HIS A 27 2.671 -1.569 -5.753 1.00 0.00 H new ATOM 371 N LYS A 28 6.637 3.051 -2.092 1.00 0.00 N ATOM 372 CA LYS A 28 6.759 3.146 -0.649 1.00 0.00 C ATOM 373 C LYS A 28 6.269 4.501 -0.173 1.00 0.00 C ATOM 374 O LYS A 28 5.501 4.595 0.787 1.00 0.00 O ATOM 375 CB LYS A 28 8.210 2.964 -0.248 1.00 0.00 C ATOM 376 CG LYS A 28 8.446 2.970 1.254 1.00 0.00 C ATOM 377 CD LYS A 28 9.886 2.616 1.586 1.00 0.00 C ATOM 378 CE LYS A 28 10.122 2.590 3.087 1.00 0.00 C ATOM 379 NZ LYS A 28 11.470 2.064 3.427 1.00 0.00 N ATOM 0 H LYS A 28 7.527 2.993 -2.587 1.00 0.00 H new ATOM 0 HA LYS A 28 6.152 2.365 -0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.573 2.022 -0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.803 3.758 -0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.208 3.954 1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.774 2.258 1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.129 1.642 1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.556 3.341 1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.013 3.597 3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.361 1.973 3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.592 2.062 4.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.565 1.093 3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.198 2.668 2.994 1.00 0.00 H new ATOM 393 N ALA A 29 6.716 5.552 -0.863 1.00 0.00 N ATOM 394 CA ALA A 29 6.302 6.907 -0.541 1.00 0.00 C ATOM 395 C ALA A 29 4.794 7.035 -0.633 1.00 0.00 C ATOM 396 O ALA A 29 4.189 7.796 0.106 1.00 0.00 O ATOM 397 CB ALA A 29 6.975 7.922 -1.447 1.00 0.00 C ATOM 0 H ALA A 29 7.365 5.484 -1.647 1.00 0.00 H new ATOM 0 HA ALA A 29 6.612 7.116 0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.643 8.925 -1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.057 7.854 -1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.709 7.717 -2.484 1.00 0.00 H new ATOM 403 N PHE A 30 4.194 6.272 -1.539 1.00 0.00 N ATOM 404 CA PHE A 30 2.747 6.234 -1.670 1.00 0.00 C ATOM 405 C PHE A 30 2.100 5.851 -0.342 1.00 0.00 C ATOM 406 O PHE A 30 1.279 6.601 0.187 1.00 0.00 O ATOM 407 CB PHE A 30 2.335 5.253 -2.776 1.00 0.00 C ATOM 408 CG PHE A 30 0.846 5.083 -2.919 1.00 0.00 C ATOM 409 CD1 PHE A 30 0.085 6.041 -3.567 1.00 0.00 C ATOM 410 CD2 PHE A 30 0.211 3.962 -2.408 1.00 0.00 C ATOM 411 CE1 PHE A 30 -1.282 5.886 -3.700 1.00 0.00 C ATOM 412 CE2 PHE A 30 -1.155 3.801 -2.538 1.00 0.00 C ATOM 413 CZ PHE A 30 -1.903 4.765 -3.184 1.00 0.00 C ATOM 0 H PHE A 30 4.692 5.670 -2.195 1.00 0.00 H new ATOM 0 HA PHE A 30 2.398 7.229 -1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.744 5.599 -3.725 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.784 4.281 -2.571 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.565 6.919 -3.973 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.791 3.205 -1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.864 6.641 -4.207 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.637 2.923 -2.135 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.971 4.643 -3.286 1.00 0.00 H new ATOM 423 N PHE A 31 2.497 4.707 0.219 1.00 0.00 N ATOM 424 CA PHE A 31 1.887 4.226 1.466 1.00 0.00 C ATOM 425 C PHE A 31 2.097 5.204 2.617 1.00 0.00 C ATOM 426 O PHE A 31 1.173 5.467 3.389 1.00 0.00 O ATOM 427 CB PHE A 31 2.423 2.853 1.879 1.00 0.00 C ATOM 428 CG PHE A 31 2.235 1.787 0.844 1.00 0.00 C ATOM 429 CD1 PHE A 31 1.008 1.611 0.227 1.00 0.00 C ATOM 430 CD2 PHE A 31 3.280 0.949 0.499 1.00 0.00 C ATOM 431 CE1 PHE A 31 0.827 0.621 -0.717 1.00 0.00 C ATOM 432 CE2 PHE A 31 3.106 -0.042 -0.443 1.00 0.00 C ATOM 433 CZ PHE A 31 1.877 -0.207 -1.052 1.00 0.00 C ATOM 0 H PHE A 31 3.226 4.103 -0.161 1.00 0.00 H new ATOM 0 HA PHE A 31 0.820 4.141 1.258 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.486 2.942 2.104 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.927 2.543 2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.182 2.257 0.488 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.243 1.073 0.973 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.135 0.495 -1.192 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.930 -0.689 -0.705 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.739 -0.984 -1.790 1.00 0.00 H new ATOM 443 N THR A 32 3.301 5.743 2.734 1.00 0.00 N ATOM 444 CA THR A 32 3.619 6.641 3.837 1.00 0.00 C ATOM 445 C THR A 32 3.011 8.029 3.629 1.00 0.00 C ATOM 446 O THR A 32 2.801 8.772 4.589 1.00 0.00 O ATOM 447 CB THR A 32 5.147 6.740 4.080 1.00 0.00 C ATOM 448 OG1 THR A 32 5.437 7.733 5.071 1.00 0.00 O ATOM 449 CG2 THR A 32 5.901 7.064 2.799 1.00 0.00 C ATOM 0 H THR A 32 4.070 5.577 2.085 1.00 0.00 H new ATOM 0 HA THR A 32 3.170 6.209 4.731 1.00 0.00 H new ATOM 0 HB THR A 32 5.480 5.765 4.435 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.406 7.781 5.213 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.969 7.125 3.011 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.721 6.280 2.063 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.554 8.019 2.404 1.00 0.00 H new ATOM 457 N LYS A 33 2.706 8.365 2.386 1.00 0.00 N ATOM 458 CA LYS A 33 2.118 9.661 2.067 1.00 0.00 C ATOM 459 C LYS A 33 0.617 9.652 2.310 1.00 0.00 C ATOM 460 O LYS A 33 0.072 10.577 2.913 1.00 0.00 O ATOM 461 CB LYS A 33 2.421 10.026 0.617 1.00 0.00 C ATOM 462 CG LYS A 33 1.968 11.422 0.220 1.00 0.00 C ATOM 463 CD LYS A 33 2.471 11.804 -1.165 1.00 0.00 C ATOM 464 CE LYS A 33 3.988 11.907 -1.202 1.00 0.00 C ATOM 465 NZ LYS A 33 4.479 12.373 -2.523 1.00 0.00 N ATOM 0 H LYS A 33 2.855 7.759 1.579 1.00 0.00 H new ATOM 0 HA LYS A 33 2.560 10.412 2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.495 9.943 0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.939 9.300 -0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.879 11.470 0.238 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.331 12.144 0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.139 11.062 -1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.034 12.758 -1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.324 12.595 -0.426 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.424 10.934 -0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.517 12.430 -2.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.180 11.703 -3.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.084 13.313 -2.728 1.00 0.00 H new ATOM 479 N VAL A 34 -0.047 8.600 1.852 1.00 0.00 N ATOM 480 CA VAL A 34 -1.476 8.478 2.000 1.00 0.00 C ATOM 481 C VAL A 34 -1.854 7.987 3.398 1.00 0.00 C ATOM 482 O VAL A 34 -3.022 8.001 3.780 1.00 0.00 O ATOM 483 CB VAL A 34 -2.037 7.518 0.941 1.00 0.00 C ATOM 484 CG1 VAL A 34 -1.600 7.948 -0.449 1.00 0.00 C ATOM 485 CG2 VAL A 34 -1.621 6.080 1.216 1.00 0.00 C ATOM 0 H VAL A 34 0.394 7.816 1.371 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.911 9.468 1.860 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.125 7.561 0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.006 7.257 -1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.968 8.954 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.512 7.942 -0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.036 5.428 0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.533 6.008 1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.996 5.773 2.193 1.00 0.00 H new ATOM 495 N GLY A 35 -0.851 7.547 4.151 1.00 0.00 N ATOM 496 CA GLY A 35 -1.083 7.097 5.510 1.00 0.00 C ATOM 497 C GLY A 35 -1.631 5.685 5.570 1.00 0.00 C ATOM 498 O GLY A 35 -2.296 5.311 6.534 1.00 0.00 O ATOM 0 H GLY A 35 0.120 7.494 3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.149 7.144 6.069 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.782 7.775 5.999 1.00 0.00 H new ATOM 502 N LEU A 36 -1.335 4.892 4.547 1.00 0.00 N ATOM 503 CA LEU A 36 -1.827 3.518 4.482 1.00 0.00 C ATOM 504 C LEU A 36 -1.022 2.627 5.426 1.00 0.00 C ATOM 505 O LEU A 36 -1.424 1.512 5.746 1.00 0.00 O ATOM 506 CB LEU A 36 -1.741 2.982 3.048 1.00 0.00 C ATOM 507 CG LEU A 36 -2.549 1.709 2.776 1.00 0.00 C ATOM 508 CD1 LEU A 36 -4.038 1.980 2.928 1.00 0.00 C ATOM 509 CD2 LEU A 36 -2.249 1.169 1.389 1.00 0.00 C ATOM 0 H LEU A 36 -0.759 5.174 3.753 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.872 3.509 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.081 3.761 2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.695 2.786 2.813 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.257 0.957 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.596 1.065 2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.244 2.320 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.342 2.750 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.833 0.265 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.511 1.919 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.187 0.935 1.311 1.00 0.00 H new ATOM 521 N ALA A 37 0.113 3.144 5.879 1.00 0.00 N ATOM 522 CA ALA A 37 0.978 2.416 6.800 1.00 0.00 C ATOM 523 C ALA A 37 0.380 2.374 8.202 1.00 0.00 C ATOM 524 O ALA A 37 0.824 1.607 9.055 1.00 0.00 O ATOM 525 CB ALA A 37 2.361 3.050 6.825 1.00 0.00 C ATOM 0 H ALA A 37 0.458 4.069 5.622 1.00 0.00 H new ATOM 0 HA ALA A 37 1.066 1.388 6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.001 2.500 7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.794 3.018 5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.280 4.087 7.152 1.00 0.00 H new ATOM 531 N ALA A 38 -0.643 3.185 8.427 1.00 0.00 N ATOM 532 CA ALA A 38 -1.296 3.251 9.727 1.00 0.00 C ATOM 533 C ALA A 38 -2.622 2.498 9.711 1.00 0.00 C ATOM 534 O ALA A 38 -3.538 2.813 10.474 1.00 0.00 O ATOM 535 CB ALA A 38 -1.510 4.701 10.136 1.00 0.00 C ATOM 0 H ALA A 38 -1.040 3.809 7.724 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.647 2.773 10.460 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.999 4.736 11.110 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.547 5.208 10.195 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.138 5.199 9.397 1.00 0.00 H new ATOM 541 N LYS A 39 -2.727 1.506 8.836 1.00 0.00 N ATOM 542 CA LYS A 39 -3.950 0.720 8.725 1.00 0.00 C ATOM 543 C LYS A 39 -3.866 -0.541 9.561 1.00 0.00 C ATOM 544 O LYS A 39 -2.822 -1.192 9.634 1.00 0.00 O ATOM 545 CB LYS A 39 -4.247 0.357 7.266 1.00 0.00 C ATOM 546 CG LYS A 39 -4.551 1.565 6.397 1.00 0.00 C ATOM 547 CD LYS A 39 -5.538 2.501 7.076 1.00 0.00 C ATOM 548 CE LYS A 39 -5.909 3.675 6.192 1.00 0.00 C ATOM 549 NZ LYS A 39 -6.713 4.680 6.934 1.00 0.00 N ATOM 0 H LYS A 39 -1.984 1.227 8.195 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.765 1.337 9.102 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.392 -0.175 6.850 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.095 -0.327 7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.627 2.102 6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.958 1.235 5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.439 1.948 7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.106 2.870 8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.003 4.144 5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.474 3.319 5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.331 5.189 6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.295 4.199 7.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.077 5.356 7.402 1.00 0.00 H new ATOM 563 N SER A 40 -4.974 -0.860 10.202 1.00 0.00 N ATOM 564 CA SER A 40 -5.097 -2.069 10.988 1.00 0.00 C ATOM 565 C SER A 40 -5.430 -3.233 10.052 1.00 0.00 C ATOM 566 O SER A 40 -5.988 -2.993 8.979 1.00 0.00 O ATOM 567 CB SER A 40 -6.196 -1.874 12.045 1.00 0.00 C ATOM 568 OG SER A 40 -6.165 -2.888 13.036 1.00 0.00 O ATOM 0 H SER A 40 -5.816 -0.285 10.191 1.00 0.00 H new ATOM 0 HA SER A 40 -4.162 -2.291 11.503 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.075 -0.900 12.519 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.171 -1.872 11.558 1.00 0.00 H new ATOM 0 HG SER A 40 -6.877 -2.728 13.690 1.00 0.00 H new ATOM 574 N PRO A 41 -5.070 -4.484 10.402 1.00 0.00 N ATOM 575 CA PRO A 41 -5.297 -5.657 9.541 1.00 0.00 C ATOM 576 C PRO A 41 -6.660 -5.663 8.839 1.00 0.00 C ATOM 577 O PRO A 41 -6.768 -6.088 7.691 1.00 0.00 O ATOM 578 CB PRO A 41 -5.191 -6.816 10.525 1.00 0.00 C ATOM 579 CG PRO A 41 -4.197 -6.351 11.530 1.00 0.00 C ATOM 580 CD PRO A 41 -4.392 -4.861 11.659 1.00 0.00 C ATOM 0 HA PRO A 41 -4.586 -5.691 8.716 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.153 -7.035 10.988 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.860 -7.729 10.031 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.351 -6.848 12.488 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.182 -6.584 11.210 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.997 -4.611 12.530 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.441 -4.341 11.772 1.00 0.00 H new ATOM 588 N ALA A 42 -7.692 -5.183 9.527 1.00 0.00 N ATOM 589 CA ALA A 42 -9.040 -5.121 8.964 1.00 0.00 C ATOM 590 C ALA A 42 -9.094 -4.268 7.696 1.00 0.00 C ATOM 591 O ALA A 42 -9.671 -4.676 6.683 1.00 0.00 O ATOM 592 CB ALA A 42 -10.015 -4.582 9.997 1.00 0.00 C ATOM 0 H ALA A 42 -7.621 -4.829 10.481 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.326 -6.136 8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.015 -4.540 9.566 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.022 -5.238 10.868 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.708 -3.581 10.299 1.00 0.00 H new ATOM 598 N ASP A 43 -8.481 -3.090 7.736 1.00 0.00 N ATOM 599 CA ASP A 43 -8.522 -2.192 6.588 1.00 0.00 C ATOM 600 C ASP A 43 -7.516 -2.637 5.540 1.00 0.00 C ATOM 601 O ASP A 43 -7.692 -2.405 4.357 1.00 0.00 O ATOM 602 CB ASP A 43 -8.263 -0.743 6.995 1.00 0.00 C ATOM 603 CG ASP A 43 -8.621 0.227 5.881 1.00 0.00 C ATOM 604 OD1 ASP A 43 -9.811 0.269 5.487 1.00 0.00 O ATOM 605 OD2 ASP A 43 -7.728 0.954 5.409 1.00 0.00 O ATOM 0 H ASP A 43 -7.957 -2.738 8.538 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.525 -2.239 6.163 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.845 -0.506 7.885 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.213 -0.622 7.259 1.00 0.00 H new ATOM 610 N ILE A 44 -6.468 -3.303 5.969 1.00 0.00 N ATOM 611 CA ILE A 44 -5.539 -3.902 5.027 1.00 0.00 C ATOM 612 C ILE A 44 -6.189 -5.127 4.366 1.00 0.00 C ATOM 613 O ILE A 44 -5.820 -5.533 3.263 1.00 0.00 O ATOM 614 CB ILE A 44 -4.190 -4.249 5.707 1.00 0.00 C ATOM 615 CG1 ILE A 44 -3.366 -2.976 5.931 1.00 0.00 C ATOM 616 CG2 ILE A 44 -3.385 -5.263 4.903 1.00 0.00 C ATOM 617 CD1 ILE A 44 -3.177 -2.133 4.686 1.00 0.00 C ATOM 0 H ILE A 44 -6.236 -3.445 6.952 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.310 -3.178 4.245 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.419 -4.706 6.670 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.853 -2.371 6.696 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.387 -3.254 6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.448 -5.475 5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.959 -6.184 4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.171 -4.856 3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.584 -1.252 4.930 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.661 -2.718 3.925 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.150 -1.822 4.306 1.00 0.00 H new ATOM 629 N LYS A 45 -7.198 -5.683 5.031 1.00 0.00 N ATOM 630 CA LYS A 45 -7.961 -6.797 4.480 1.00 0.00 C ATOM 631 C LYS A 45 -8.848 -6.323 3.327 1.00 0.00 C ATOM 632 O LYS A 45 -8.994 -7.013 2.320 1.00 0.00 O ATOM 633 CB LYS A 45 -8.815 -7.459 5.563 1.00 0.00 C ATOM 634 CG LYS A 45 -9.431 -8.774 5.122 1.00 0.00 C ATOM 635 CD LYS A 45 -8.360 -9.811 4.820 1.00 0.00 C ATOM 636 CE LYS A 45 -8.959 -11.083 4.253 1.00 0.00 C ATOM 637 NZ LYS A 45 -9.973 -11.681 5.162 1.00 0.00 N ATOM 0 H LYS A 45 -7.506 -5.379 5.954 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.254 -7.534 4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.200 -7.632 6.446 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.610 -6.774 5.858 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.093 -9.148 5.903 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.044 -8.612 4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.643 -9.398 4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.809 -10.042 5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.420 -10.867 3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.165 -11.807 4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.243 -12.621 4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.572 -11.771 6.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.813 -11.069 5.195 1.00 0.00 H new ATOM 651 N LYS A 46 -9.444 -5.145 3.460 1.00 0.00 N ATOM 652 CA LYS A 46 -10.182 -4.580 2.337 1.00 0.00 C ATOM 653 C LYS A 46 -9.199 -4.164 1.247 1.00 0.00 C ATOM 654 O LYS A 46 -9.528 -4.175 0.060 1.00 0.00 O ATOM 655 CB LYS A 46 -11.091 -3.415 2.768 1.00 0.00 C ATOM 656 CG LYS A 46 -10.381 -2.291 3.497 1.00 0.00 C ATOM 657 CD LYS A 46 -9.799 -1.256 2.546 1.00 0.00 C ATOM 658 CE LYS A 46 -10.844 -0.249 2.111 1.00 0.00 C ATOM 659 NZ LYS A 46 -11.431 0.467 3.275 1.00 0.00 N ATOM 0 H LYS A 46 -9.434 -4.576 4.307 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.849 -5.344 1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.577 -3.005 1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.879 -3.806 3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.081 -1.803 4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.581 -2.708 4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.973 -0.737 3.033 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.388 -1.757 1.669 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.394 0.472 1.429 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.634 -0.759 1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.499 1.482 3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.380 0.090 3.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.825 0.330 4.109 1.00 0.00 H new ATOM 673 N VAL A 47 -7.978 -3.827 1.661 1.00 0.00 N ATOM 674 CA VAL A 47 -6.905 -3.567 0.716 1.00 0.00 C ATOM 675 C VAL A 47 -6.588 -4.837 -0.066 1.00 0.00 C ATOM 676 O VAL A 47 -6.311 -4.775 -1.259 1.00 0.00 O ATOM 677 CB VAL A 47 -5.632 -3.022 1.407 1.00 0.00 C ATOM 678 CG1 VAL A 47 -4.481 -2.913 0.423 1.00 0.00 C ATOM 679 CG2 VAL A 47 -5.909 -1.664 2.033 1.00 0.00 C ATOM 0 H VAL A 47 -7.713 -3.729 2.641 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.248 -2.792 0.030 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.349 -3.725 2.191 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.600 -2.528 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.260 -3.898 0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.756 -2.235 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.004 -1.294 2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.220 -0.963 1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.702 -1.760 2.775 1.00 0.00 H new ATOM 689 N PHE A 48 -6.643 -5.986 0.612 1.00 0.00 N ATOM 690 CA PHE A 48 -6.587 -7.291 -0.060 1.00 0.00 C ATOM 691 C PHE A 48 -7.538 -7.322 -1.246 1.00 0.00 C ATOM 692 O PHE A 48 -7.151 -7.675 -2.361 1.00 0.00 O ATOM 693 CB PHE A 48 -6.938 -8.418 0.925 1.00 0.00 C ATOM 694 CG PHE A 48 -7.679 -9.594 0.320 1.00 0.00 C ATOM 695 CD1 PHE A 48 -7.092 -10.397 -0.649 1.00 0.00 C ATOM 696 CD2 PHE A 48 -8.968 -9.892 0.733 1.00 0.00 C ATOM 697 CE1 PHE A 48 -7.775 -11.469 -1.189 1.00 0.00 C ATOM 698 CE2 PHE A 48 -9.654 -10.962 0.197 1.00 0.00 C ATOM 699 CZ PHE A 48 -9.057 -11.751 -0.766 1.00 0.00 C ATOM 0 H PHE A 48 -6.726 -6.041 1.627 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.571 -7.445 -0.423 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.016 -8.783 1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.545 -8.001 1.729 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.089 -10.180 -0.985 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -9.442 -9.278 1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.306 -12.086 -1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -10.657 -11.182 0.530 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.593 -12.588 -1.188 1.00 0.00 H new ATOM 709 N GLU A 49 -8.775 -6.932 -0.997 1.00 0.00 N ATOM 710 CA GLU A 49 -9.789 -6.907 -2.041 1.00 0.00 C ATOM 711 C GLU A 49 -9.441 -5.873 -3.112 1.00 0.00 C ATOM 712 O GLU A 49 -9.980 -5.908 -4.219 1.00 0.00 O ATOM 713 CB GLU A 49 -11.158 -6.606 -1.428 1.00 0.00 C ATOM 714 CG GLU A 49 -11.545 -7.576 -0.322 1.00 0.00 C ATOM 715 CD GLU A 49 -12.885 -7.254 0.305 1.00 0.00 C ATOM 716 OE1 GLU A 49 -13.916 -7.746 -0.198 1.00 0.00 O ATOM 717 OE2 GLU A 49 -12.917 -6.517 1.312 1.00 0.00 O ATOM 0 H GLU A 49 -9.104 -6.628 -0.081 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.823 -7.886 -2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.155 -5.592 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.915 -6.638 -2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.573 -8.588 -0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.776 -7.563 0.450 1.00 0.00 H new ATOM 724 N ILE A 50 -8.547 -4.949 -2.775 1.00 0.00 N ATOM 725 CA ILE A 50 -8.077 -3.963 -3.738 1.00 0.00 C ATOM 726 C ILE A 50 -6.968 -4.530 -4.639 1.00 0.00 C ATOM 727 O ILE A 50 -7.025 -4.346 -5.857 1.00 0.00 O ATOM 728 CB ILE A 50 -7.580 -2.670 -3.062 1.00 0.00 C ATOM 729 CG1 ILE A 50 -8.594 -2.176 -2.033 1.00 0.00 C ATOM 730 CG2 ILE A 50 -7.349 -1.594 -4.109 1.00 0.00 C ATOM 731 CD1 ILE A 50 -8.121 -0.966 -1.258 1.00 0.00 C ATOM 0 H ILE A 50 -8.136 -4.863 -1.846 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.941 -3.715 -4.354 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.642 -2.887 -2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.527 -1.931 -2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.814 -2.983 -1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.998 -0.683 -3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.600 -1.936 -4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.283 -1.389 -4.632 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.889 -0.668 -0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.204 -1.213 -0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.928 -0.145 -1.948 1.00 0.00 H new ATOM 743 N ILE A 51 -5.961 -5.219 -4.066 1.00 0.00 N ATOM 744 CA ILE A 51 -4.931 -5.848 -4.905 1.00 0.00 C ATOM 745 C ILE A 51 -5.564 -6.972 -5.700 1.00 0.00 C ATOM 746 O ILE A 51 -5.146 -7.265 -6.820 1.00 0.00 O ATOM 747 CB ILE A 51 -3.657 -6.371 -4.149 1.00 0.00 C ATOM 748 CG1 ILE A 51 -3.995 -6.951 -2.755 1.00 0.00 C ATOM 749 CG2 ILE A 51 -2.624 -5.255 -4.036 1.00 0.00 C ATOM 750 CD1 ILE A 51 -3.707 -6.000 -1.608 1.00 0.00 C ATOM 0 H ILE A 51 -5.843 -5.350 -3.061 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.554 -5.055 -5.551 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.239 -7.190 -4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.050 -7.224 -2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.425 -7.868 -2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.744 -5.626 -3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.338 -4.922 -5.034 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.051 -4.419 -3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.970 -6.478 -0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.647 -5.746 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.297 -5.092 -1.731 1.00 0.00 H new ATOM 762 N ASP A 52 -6.602 -7.580 -5.135 1.00 0.00 N ATOM 763 CA ASP A 52 -7.394 -8.545 -5.874 1.00 0.00 C ATOM 764 C ASP A 52 -8.433 -7.793 -6.706 1.00 0.00 C ATOM 765 O ASP A 52 -9.633 -7.944 -6.480 1.00 0.00 O ATOM 766 CB ASP A 52 -8.137 -9.514 -4.947 1.00 0.00 C ATOM 767 CG ASP A 52 -8.408 -10.867 -5.596 1.00 0.00 C ATOM 768 OD1 ASP A 52 -8.194 -11.029 -6.826 1.00 0.00 O ATOM 769 OD2 ASP A 52 -8.846 -11.784 -4.883 1.00 0.00 O ATOM 0 H ASP A 52 -6.909 -7.421 -4.176 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.714 -9.122 -6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.551 -9.663 -4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.083 -9.066 -4.645 1.00 0.00 H new ATOM 774 N GLN A 53 -7.966 -6.952 -7.627 1.00 0.00 N ATOM 775 CA GLN A 53 -8.843 -6.141 -8.484 1.00 0.00 C ATOM 776 C GLN A 53 -9.996 -6.970 -9.051 1.00 0.00 C ATOM 777 O GLN A 53 -11.160 -6.568 -9.004 1.00 0.00 O ATOM 778 CB GLN A 53 -8.004 -5.527 -9.618 1.00 0.00 C ATOM 779 CG GLN A 53 -8.746 -5.312 -10.934 1.00 0.00 C ATOM 780 CD GLN A 53 -9.830 -4.254 -10.859 1.00 0.00 C ATOM 781 OE1 GLN A 53 -9.738 -3.301 -10.093 1.00 0.00 O ATOM 782 NE2 GLN A 53 -10.867 -4.420 -11.662 1.00 0.00 N ATOM 0 H GLN A 53 -6.971 -6.810 -7.804 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.287 -5.347 -7.884 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.612 -4.568 -9.280 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.147 -6.174 -9.805 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.028 -5.029 -11.703 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.193 -6.256 -11.247 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.906 -5.227 -12.285 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.628 -3.741 -11.659 1.00 0.00 H new ATOM 791 N ASP A 54 -9.652 -8.138 -9.548 1.00 0.00 N ATOM 792 CA ASP A 54 -10.618 -9.040 -10.179 1.00 0.00 C ATOM 793 C ASP A 54 -11.435 -9.828 -9.145 1.00 0.00 C ATOM 794 O ASP A 54 -12.497 -10.367 -9.465 1.00 0.00 O ATOM 795 CB ASP A 54 -9.881 -9.980 -11.147 1.00 0.00 C ATOM 796 CG ASP A 54 -10.616 -11.272 -11.433 1.00 0.00 C ATOM 797 OD1 ASP A 54 -11.466 -11.285 -12.348 1.00 0.00 O ATOM 798 OD2 ASP A 54 -10.338 -12.287 -10.758 1.00 0.00 O ATOM 0 H ASP A 54 -8.698 -8.498 -9.531 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.334 -8.439 -10.739 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.711 -9.455 -12.087 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.901 -10.216 -10.732 1.00 0.00 H new ATOM 803 N LYS A 55 -10.951 -9.862 -7.900 1.00 0.00 N ATOM 804 CA LYS A 55 -11.644 -10.553 -6.804 1.00 0.00 C ATOM 805 C LYS A 55 -11.729 -12.051 -7.069 1.00 0.00 C ATOM 806 O LYS A 55 -12.806 -12.606 -7.277 1.00 0.00 O ATOM 807 CB LYS A 55 -13.042 -9.969 -6.574 1.00 0.00 C ATOM 808 CG LYS A 55 -13.045 -8.571 -5.972 1.00 0.00 C ATOM 809 CD LYS A 55 -12.467 -8.532 -4.558 1.00 0.00 C ATOM 810 CE LYS A 55 -13.470 -8.974 -3.494 1.00 0.00 C ATOM 811 NZ LYS A 55 -13.744 -10.436 -3.521 1.00 0.00 N ATOM 0 H LYS A 55 -10.076 -9.416 -7.623 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.059 -10.398 -5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.573 -9.943 -7.525 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.598 -10.637 -5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.469 -7.903 -6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.067 -8.191 -5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.589 -9.176 -4.512 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.132 -7.519 -4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.091 -8.700 -2.510 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.405 -8.433 -3.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.896 -10.779 -2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.595 -10.619 -4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.933 -10.934 -3.940 1.00 0.00 H new ATOM 825 N SER A 56 -10.579 -12.692 -7.088 1.00 0.00 N ATOM 826 CA SER A 56 -10.490 -14.109 -7.394 1.00 0.00 C ATOM 827 C SER A 56 -10.138 -14.917 -6.150 1.00 0.00 C ATOM 828 O SER A 56 -9.835 -16.111 -6.240 1.00 0.00 O ATOM 829 CB SER A 56 -9.418 -14.305 -8.460 1.00 0.00 C ATOM 830 OG SER A 56 -8.816 -13.058 -8.792 1.00 0.00 O ATOM 0 H SER A 56 -9.681 -12.249 -6.893 1.00 0.00 H new ATOM 0 HA SER A 56 -11.456 -14.460 -7.756 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.659 -14.998 -8.098 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.859 -14.752 -9.351 1.00 0.00 H new ATOM 0 HG SER A 56 -9.438 -12.528 -9.334 1.00 0.00 H new ATOM 836 N ASP A 57 -10.169 -14.245 -4.993 1.00 0.00 N ATOM 837 CA ASP A 57 -9.688 -14.813 -3.725 1.00 0.00 C ATOM 838 C ASP A 57 -8.191 -15.090 -3.825 1.00 0.00 C ATOM 839 O ASP A 57 -7.605 -15.784 -2.995 1.00 0.00 O ATOM 840 CB ASP A 57 -10.455 -16.085 -3.339 1.00 0.00 C ATOM 841 CG ASP A 57 -11.881 -15.799 -2.906 1.00 0.00 C ATOM 842 OD1 ASP A 57 -12.746 -15.583 -3.781 1.00 0.00 O ATOM 843 OD2 ASP A 57 -12.149 -15.792 -1.685 1.00 0.00 O ATOM 0 H ASP A 57 -10.527 -13.294 -4.908 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.868 -14.084 -2.935 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -10.467 -16.769 -4.188 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.928 -16.591 -2.530 1.00 0.00 H new ATOM 848 N PHE A 58 -7.600 -14.508 -4.856 1.00 0.00 N ATOM 849 CA PHE A 58 -6.184 -14.620 -5.164 1.00 0.00 C ATOM 850 C PHE A 58 -5.771 -13.352 -5.892 1.00 0.00 C ATOM 851 O PHE A 58 -6.467 -12.918 -6.813 1.00 0.00 O ATOM 852 CB PHE A 58 -5.892 -15.836 -6.058 1.00 0.00 C ATOM 853 CG PHE A 58 -5.930 -17.167 -5.358 1.00 0.00 C ATOM 854 CD1 PHE A 58 -4.799 -17.663 -4.730 1.00 0.00 C ATOM 855 CD2 PHE A 58 -7.088 -17.928 -5.342 1.00 0.00 C ATOM 856 CE1 PHE A 58 -4.823 -18.888 -4.095 1.00 0.00 C ATOM 857 CE2 PHE A 58 -7.117 -19.155 -4.707 1.00 0.00 C ATOM 858 CZ PHE A 58 -5.984 -19.636 -4.083 1.00 0.00 C ATOM 0 H PHE A 58 -8.109 -13.927 -5.522 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.625 -14.752 -4.238 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.616 -15.851 -6.873 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.908 -15.708 -6.509 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.887 -17.084 -4.738 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.977 -17.558 -5.831 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.934 -19.262 -3.608 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.026 -19.738 -4.699 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.005 -20.595 -3.587 1.00 0.00 H new ATOM 868 N VAL A 59 -4.676 -12.745 -5.482 1.00 0.00 N ATOM 869 CA VAL A 59 -4.252 -11.478 -6.054 1.00 0.00 C ATOM 870 C VAL A 59 -3.192 -11.675 -7.140 1.00 0.00 C ATOM 871 O VAL A 59 -2.063 -12.073 -6.860 1.00 0.00 O ATOM 872 CB VAL A 59 -3.723 -10.557 -4.950 1.00 0.00 C ATOM 873 CG1 VAL A 59 -3.137 -9.297 -5.513 1.00 0.00 C ATOM 874 CG2 VAL A 59 -4.818 -10.243 -3.944 1.00 0.00 C ATOM 0 H VAL A 59 -4.061 -13.107 -4.754 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.119 -11.014 -6.524 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.922 -11.086 -4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.773 -8.670 -4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.310 -9.546 -6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.902 -8.758 -6.072 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.422 -9.588 -3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.646 -9.747 -4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.172 -11.169 -3.491 1.00 0.00 H new ATOM 884 N GLU A 60 -3.584 -11.384 -8.373 1.00 0.00 N ATOM 885 CA GLU A 60 -2.751 -11.603 -9.550 1.00 0.00 C ATOM 886 C GLU A 60 -1.943 -10.350 -9.911 1.00 0.00 C ATOM 887 O GLU A 60 -2.069 -9.314 -9.261 1.00 0.00 O ATOM 888 CB GLU A 60 -3.625 -12.010 -10.746 1.00 0.00 C ATOM 889 CG GLU A 60 -4.227 -13.413 -10.664 1.00 0.00 C ATOM 890 CD GLU A 60 -5.190 -13.612 -9.507 1.00 0.00 C ATOM 891 OE1 GLU A 60 -6.220 -12.890 -9.429 1.00 0.00 O ATOM 892 OE2 GLU A 60 -4.937 -14.506 -8.679 1.00 0.00 O ATOM 0 H GLU A 60 -4.498 -10.985 -8.587 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.051 -12.404 -9.314 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.436 -11.289 -10.845 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.026 -11.942 -11.654 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.749 -13.627 -11.597 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.418 -14.138 -10.577 1.00 0.00 H new ATOM 899 N GLU A 61 -1.136 -10.443 -10.967 1.00 0.00 N ATOM 900 CA GLU A 61 -0.320 -9.315 -11.423 1.00 0.00 C ATOM 901 C GLU A 61 -1.158 -8.316 -12.213 1.00 0.00 C ATOM 902 O GLU A 61 -1.072 -7.104 -11.997 1.00 0.00 O ATOM 903 CB GLU A 61 0.840 -9.817 -12.282 1.00 0.00 C ATOM 904 CG GLU A 61 1.695 -8.706 -12.873 1.00 0.00 C ATOM 905 CD GLU A 61 2.877 -9.243 -13.650 1.00 0.00 C ATOM 906 OE1 GLU A 61 3.854 -9.693 -13.021 1.00 0.00 O ATOM 907 OE2 GLU A 61 2.830 -9.226 -14.900 1.00 0.00 O ATOM 0 H GLU A 61 -1.029 -11.290 -11.525 1.00 0.00 H new ATOM 0 HA GLU A 61 0.077 -8.808 -10.544 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.473 -10.466 -11.677 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.441 -10.426 -13.093 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.082 -8.089 -13.529 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.053 -8.060 -12.071 1.00 0.00 H new ATOM 914 N ASP A 62 -1.980 -8.829 -13.121 1.00 0.00 N ATOM 915 CA ASP A 62 -2.833 -7.976 -13.940 1.00 0.00 C ATOM 916 C ASP A 62 -3.842 -7.255 -13.060 1.00 0.00 C ATOM 917 O ASP A 62 -4.411 -6.231 -13.438 1.00 0.00 O ATOM 918 CB ASP A 62 -3.552 -8.797 -15.011 1.00 0.00 C ATOM 919 CG ASP A 62 -4.209 -7.917 -16.054 1.00 0.00 C ATOM 920 OD1 ASP A 62 -3.480 -7.352 -16.899 1.00 0.00 O ATOM 921 OD2 ASP A 62 -5.451 -7.781 -16.031 1.00 0.00 O ATOM 0 H ASP A 62 -2.074 -9.827 -13.308 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.207 -7.238 -14.442 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.839 -9.464 -15.496 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.307 -9.426 -14.540 1.00 0.00 H new ATOM 926 N GLU A 63 -4.038 -7.793 -11.867 1.00 0.00 N ATOM 927 CA GLU A 63 -4.879 -7.161 -10.873 1.00 0.00 C ATOM 928 C GLU A 63 -4.166 -5.985 -10.239 1.00 0.00 C ATOM 929 O GLU A 63 -4.785 -4.973 -9.946 1.00 0.00 O ATOM 930 CB GLU A 63 -5.287 -8.164 -9.814 1.00 0.00 C ATOM 931 CG GLU A 63 -6.236 -9.209 -10.350 1.00 0.00 C ATOM 932 CD GLU A 63 -6.722 -10.147 -9.282 1.00 0.00 C ATOM 933 OE1 GLU A 63 -5.994 -10.433 -8.332 1.00 0.00 O ATOM 934 OE2 GLU A 63 -7.838 -10.654 -9.379 1.00 0.00 O ATOM 0 H GLU A 63 -3.621 -8.673 -11.565 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.777 -6.791 -11.368 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.397 -8.653 -9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.759 -7.640 -8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.091 -8.716 -10.812 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.737 -9.781 -11.132 1.00 0.00 H new ATOM 941 N LEU A 64 -2.859 -6.114 -10.050 1.00 0.00 N ATOM 942 CA LEU A 64 -2.053 -5.014 -9.533 1.00 0.00 C ATOM 943 C LEU A 64 -2.017 -3.873 -10.535 1.00 0.00 C ATOM 944 O LEU A 64 -1.745 -2.729 -10.183 1.00 0.00 O ATOM 945 CB LEU A 64 -0.629 -5.474 -9.213 1.00 0.00 C ATOM 946 CG LEU A 64 -0.360 -5.794 -7.740 1.00 0.00 C ATOM 947 CD1 LEU A 64 -0.467 -4.535 -6.891 1.00 0.00 C ATOM 948 CD2 LEU A 64 -1.322 -6.858 -7.239 1.00 0.00 C ATOM 0 H LEU A 64 -2.335 -6.967 -10.246 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.514 -4.665 -8.609 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.410 -6.362 -9.806 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.066 -4.697 -9.532 1.00 0.00 H new ATOM 0 HG LEU A 64 0.655 -6.182 -7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.273 -4.782 -5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.264 -3.803 -7.233 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.469 -4.117 -6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.115 -7.071 -6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.346 -6.499 -7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.196 -7.768 -7.826 1.00 0.00 H new ATOM 960 N LYS A 65 -2.288 -4.203 -11.788 1.00 0.00 N ATOM 961 CA LYS A 65 -2.377 -3.206 -12.844 1.00 0.00 C ATOM 962 C LYS A 65 -3.527 -2.235 -12.593 1.00 0.00 C ATOM 963 O LYS A 65 -3.341 -1.022 -12.617 1.00 0.00 O ATOM 964 CB LYS A 65 -2.572 -3.895 -14.195 1.00 0.00 C ATOM 965 CG LYS A 65 -1.386 -3.790 -15.137 1.00 0.00 C ATOM 966 CD LYS A 65 -0.085 -4.211 -14.478 1.00 0.00 C ATOM 967 CE LYS A 65 0.970 -4.505 -15.526 1.00 0.00 C ATOM 968 NZ LYS A 65 2.315 -4.711 -14.936 1.00 0.00 N ATOM 0 H LYS A 65 -2.451 -5.160 -12.100 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.446 -2.639 -12.852 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.789 -4.949 -14.022 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.446 -3.465 -14.684 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.565 -4.414 -16.013 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.296 -2.763 -15.490 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.265 -3.421 -13.813 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.252 -5.095 -13.863 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.683 -5.395 -16.087 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.011 -3.680 -16.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.006 -4.875 -15.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.590 -3.867 -14.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.294 -5.536 -14.303 1.00 0.00 H new ATOM 982 N LEU A 66 -4.721 -2.769 -12.374 1.00 0.00 N ATOM 983 CA LEU A 66 -5.898 -1.929 -12.171 1.00 0.00 C ATOM 984 C LEU A 66 -6.255 -1.814 -10.697 1.00 0.00 C ATOM 985 O LEU A 66 -7.261 -1.200 -10.334 1.00 0.00 O ATOM 986 CB LEU A 66 -7.088 -2.438 -12.989 1.00 0.00 C ATOM 987 CG LEU A 66 -6.872 -2.435 -14.508 1.00 0.00 C ATOM 988 CD1 LEU A 66 -6.004 -1.251 -14.929 1.00 0.00 C ATOM 989 CD2 LEU A 66 -6.264 -3.750 -14.972 1.00 0.00 C ATOM 0 H LEU A 66 -4.902 -3.772 -12.332 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.651 -0.929 -12.527 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.321 -3.454 -12.671 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.959 -1.824 -12.759 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.844 -2.328 -14.989 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.864 -1.269 -16.010 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.494 -0.321 -14.642 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.034 -1.318 -14.436 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.120 -3.723 -16.052 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.302 -3.899 -14.482 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.933 -4.571 -14.715 1.00 0.00 H new ATOM 1001 N PHE A 67 -5.409 -2.394 -9.856 1.00 0.00 N ATOM 1002 CA PHE A 67 -5.531 -2.271 -8.405 1.00 0.00 C ATOM 1003 C PHE A 67 -5.662 -0.794 -8.023 1.00 0.00 C ATOM 1004 O PHE A 67 -6.328 -0.432 -7.056 1.00 0.00 O ATOM 1005 CB PHE A 67 -4.286 -2.899 -7.742 1.00 0.00 C ATOM 1006 CG PHE A 67 -3.775 -2.188 -6.511 1.00 0.00 C ATOM 1007 CD1 PHE A 67 -4.320 -2.441 -5.266 1.00 0.00 C ATOM 1008 CD2 PHE A 67 -2.739 -1.271 -6.606 1.00 0.00 C ATOM 1009 CE1 PHE A 67 -3.848 -1.794 -4.138 1.00 0.00 C ATOM 1010 CE2 PHE A 67 -2.262 -0.621 -5.484 1.00 0.00 C ATOM 1011 CZ PHE A 67 -2.818 -0.882 -4.248 1.00 0.00 C ATOM 0 H PHE A 67 -4.618 -2.963 -10.158 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.421 -2.795 -8.057 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.520 -3.929 -7.474 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.483 -2.935 -8.479 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.126 -3.154 -5.173 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.299 -1.062 -7.570 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.285 -2.002 -3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.455 0.091 -5.574 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.448 -0.374 -3.370 1.00 0.00 H new ATOM 1021 N LEU A 68 -5.029 0.050 -8.830 1.00 0.00 N ATOM 1022 CA LEU A 68 -4.994 1.488 -8.612 1.00 0.00 C ATOM 1023 C LEU A 68 -6.380 2.096 -8.708 1.00 0.00 C ATOM 1024 O LEU A 68 -6.845 2.760 -7.779 1.00 0.00 O ATOM 1025 CB LEU A 68 -4.087 2.167 -9.644 1.00 0.00 C ATOM 1026 CG LEU A 68 -2.600 1.787 -9.614 1.00 0.00 C ATOM 1027 CD1 LEU A 68 -2.036 1.908 -8.208 1.00 0.00 C ATOM 1028 CD2 LEU A 68 -2.378 0.391 -10.173 1.00 0.00 C ATOM 0 H LEU A 68 -4.521 -0.250 -9.662 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.602 1.652 -7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.475 1.943 -10.638 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.165 3.246 -9.508 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.064 2.489 -10.253 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.981 1.633 -8.214 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.141 2.936 -7.861 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.581 1.242 -7.539 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.316 0.150 -10.139 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.934 -0.332 -9.576 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.726 0.353 -11.205 1.00 0.00 H new ATOM 1040 N GLN A 69 -7.038 1.867 -9.835 1.00 0.00 N ATOM 1041 CA GLN A 69 -8.364 2.419 -10.064 1.00 0.00 C ATOM 1042 C GLN A 69 -9.398 1.665 -9.238 1.00 0.00 C ATOM 1043 O GLN A 69 -10.577 2.016 -9.216 1.00 0.00 O ATOM 1044 CB GLN A 69 -8.724 2.377 -11.550 1.00 0.00 C ATOM 1045 CG GLN A 69 -8.718 0.986 -12.153 1.00 0.00 C ATOM 1046 CD GLN A 69 -9.574 0.904 -13.401 1.00 0.00 C ATOM 1047 OE1 GLN A 69 -10.560 1.627 -13.539 1.00 0.00 O ATOM 1048 NE2 GLN A 69 -9.205 0.029 -14.320 1.00 0.00 N ATOM 0 H GLN A 69 -6.675 1.303 -10.604 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.361 3.463 -9.750 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.713 2.815 -11.685 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -8.021 3.002 -12.100 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.694 0.701 -12.396 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -9.082 0.270 -11.416 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.381 -0.553 -14.169 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.744 -0.065 -15.181 1.00 0.00 H new ATOM 1057 N ASN A 70 -8.939 0.623 -8.561 1.00 0.00 N ATOM 1058 CA ASN A 70 -9.782 -0.119 -7.636 1.00 0.00 C ATOM 1059 C ASN A 70 -9.684 0.514 -6.252 1.00 0.00 C ATOM 1060 O ASN A 70 -10.603 0.424 -5.434 1.00 0.00 O ATOM 1061 CB ASN A 70 -9.338 -1.583 -7.585 1.00 0.00 C ATOM 1062 CG ASN A 70 -10.299 -2.470 -6.821 1.00 0.00 C ATOM 1063 OD1 ASN A 70 -11.503 -2.216 -6.776 1.00 0.00 O ATOM 1064 ND2 ASN A 70 -9.776 -3.532 -6.236 1.00 0.00 N ATOM 0 H ASN A 70 -7.984 0.271 -8.635 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.818 -0.084 -7.974 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.235 -1.961 -8.602 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.353 -1.642 -7.122 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.375 -4.178 -5.723 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.773 -3.706 -6.297 1.00 0.00 H new ATOM 1071 N PHE A 71 -8.556 1.172 -6.015 1.00 0.00 N ATOM 1072 CA PHE A 71 -8.295 1.851 -4.754 1.00 0.00 C ATOM 1073 C PHE A 71 -8.911 3.247 -4.777 1.00 0.00 C ATOM 1074 O PHE A 71 -9.476 3.709 -3.786 1.00 0.00 O ATOM 1075 CB PHE A 71 -6.778 1.955 -4.528 1.00 0.00 C ATOM 1076 CG PHE A 71 -6.371 2.259 -3.110 1.00 0.00 C ATOM 1077 CD1 PHE A 71 -6.647 3.489 -2.533 1.00 0.00 C ATOM 1078 CD2 PHE A 71 -5.700 1.309 -2.355 1.00 0.00 C ATOM 1079 CE1 PHE A 71 -6.266 3.763 -1.235 1.00 0.00 C ATOM 1080 CE2 PHE A 71 -5.317 1.578 -1.057 1.00 0.00 C ATOM 1081 CZ PHE A 71 -5.602 2.807 -0.496 1.00 0.00 C ATOM 0 H PHE A 71 -7.797 1.249 -6.692 1.00 0.00 H new ATOM 0 HA PHE A 71 -8.742 1.279 -3.941 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.314 1.016 -4.831 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.380 2.732 -5.180 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.167 4.242 -3.106 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.474 0.346 -2.789 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.488 4.726 -0.799 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.795 0.828 -0.481 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.305 3.019 0.520 1.00 0.00 H new ATOM 1091 N SER A 72 -8.803 3.908 -5.923 1.00 0.00 N ATOM 1092 CA SER A 72 -9.241 5.288 -6.056 1.00 0.00 C ATOM 1093 C SER A 72 -9.858 5.540 -7.430 1.00 0.00 C ATOM 1094 O SER A 72 -9.653 4.766 -8.367 1.00 0.00 O ATOM 1095 CB SER A 72 -8.051 6.217 -5.825 1.00 0.00 C ATOM 1096 OG SER A 72 -6.925 5.793 -6.573 1.00 0.00 O ATOM 0 H SER A 72 -8.414 3.507 -6.776 1.00 0.00 H new ATOM 0 HA SER A 72 -10.010 5.488 -5.309 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.319 7.235 -6.109 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.801 6.237 -4.764 1.00 0.00 H new ATOM 0 HG SER A 72 -6.270 6.521 -6.619 1.00 0.00 H new ATOM 1102 N ALA A 73 -10.612 6.631 -7.539 1.00 0.00 N ATOM 1103 CA ALA A 73 -11.355 6.946 -8.753 1.00 0.00 C ATOM 1104 C ALA A 73 -10.507 7.732 -9.747 1.00 0.00 C ATOM 1105 O ALA A 73 -10.913 7.942 -10.891 1.00 0.00 O ATOM 1106 CB ALA A 73 -12.614 7.725 -8.404 1.00 0.00 C ATOM 0 H ALA A 73 -10.724 7.317 -6.792 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.631 6.005 -9.229 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.163 7.956 -9.317 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.242 7.126 -7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.340 8.652 -7.900 1.00 0.00 H new ATOM 1112 N GLY A 74 -9.337 8.168 -9.309 1.00 0.00 N ATOM 1113 CA GLY A 74 -8.455 8.923 -10.176 1.00 0.00 C ATOM 1114 C GLY A 74 -7.024 8.442 -10.081 1.00 0.00 C ATOM 1115 O GLY A 74 -6.149 9.166 -9.609 1.00 0.00 O ATOM 0 H GLY A 74 -8.980 8.013 -8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.799 8.838 -11.207 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.501 9.979 -9.910 1.00 0.00 H new ATOM 1119 N ALA A 75 -6.786 7.219 -10.527 1.00 0.00 N ATOM 1120 CA ALA A 75 -5.471 6.614 -10.409 1.00 0.00 C ATOM 1121 C ALA A 75 -4.911 6.209 -11.764 1.00 0.00 C ATOM 1122 O ALA A 75 -5.635 6.159 -12.762 1.00 0.00 O ATOM 1123 CB ALA A 75 -5.535 5.414 -9.487 1.00 0.00 C ATOM 0 H ALA A 75 -7.486 6.627 -10.974 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.798 7.360 -9.987 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.545 4.966 -9.404 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.874 5.731 -8.501 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.232 4.681 -9.892 1.00 0.00 H new ATOM 1129 N ARG A 76 -3.618 5.918 -11.790 1.00 0.00 N ATOM 1130 CA ARG A 76 -2.936 5.527 -13.008 1.00 0.00 C ATOM 1131 C ARG A 76 -2.445 4.093 -12.885 1.00 0.00 C ATOM 1132 O ARG A 76 -1.909 3.710 -11.845 1.00 0.00 O ATOM 1133 CB ARG A 76 -1.746 6.455 -13.273 1.00 0.00 C ATOM 1134 CG ARG A 76 -2.084 7.932 -13.185 1.00 0.00 C ATOM 1135 CD ARG A 76 -3.224 8.301 -14.112 1.00 0.00 C ATOM 1136 NE ARG A 76 -2.908 8.029 -15.510 1.00 0.00 N ATOM 1137 CZ ARG A 76 -3.652 8.424 -16.541 1.00 0.00 C ATOM 1138 NH1 ARG A 76 -4.787 9.080 -16.337 1.00 0.00 N ATOM 1139 NH2 ARG A 76 -3.262 8.150 -17.777 1.00 0.00 N ATOM 0 H ARG A 76 -3.016 5.947 -10.967 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.636 5.602 -13.840 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.956 6.230 -12.556 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.346 6.243 -14.265 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.353 8.183 -12.159 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.203 8.523 -13.438 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.116 7.743 -13.828 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.458 9.359 -13.994 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.059 7.500 -15.711 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.094 9.284 -15.386 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.353 9.380 -17.131 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.394 7.638 -17.936 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.829 8.451 -18.569 1.00 0.00 H new ATOM 1153 N ALA A 77 -2.635 3.301 -13.932 1.00 0.00 N ATOM 1154 CA ALA A 77 -2.200 1.911 -13.919 1.00 0.00 C ATOM 1155 C ALA A 77 -0.683 1.823 -13.940 1.00 0.00 C ATOM 1156 O ALA A 77 -0.030 2.286 -14.881 1.00 0.00 O ATOM 1157 CB ALA A 77 -2.789 1.145 -15.094 1.00 0.00 C ATOM 0 H ALA A 77 -3.086 3.596 -14.798 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.562 1.456 -12.997 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.449 0.110 -15.061 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.877 1.171 -15.037 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.464 1.604 -16.027 1.00 0.00 H new ATOM 1163 N LEU A 78 -0.126 1.235 -12.894 1.00 0.00 N ATOM 1164 CA LEU A 78 1.312 1.059 -12.794 1.00 0.00 C ATOM 1165 C LEU A 78 1.774 0.020 -13.805 1.00 0.00 C ATOM 1166 O LEU A 78 1.099 -0.988 -14.020 1.00 0.00 O ATOM 1167 CB LEU A 78 1.695 0.628 -11.378 1.00 0.00 C ATOM 1168 CG LEU A 78 1.200 1.554 -10.260 1.00 0.00 C ATOM 1169 CD1 LEU A 78 1.615 1.016 -8.900 1.00 0.00 C ATOM 1170 CD2 LEU A 78 1.721 2.972 -10.459 1.00 0.00 C ATOM 0 H LEU A 78 -0.651 0.870 -12.099 1.00 0.00 H new ATOM 0 HA LEU A 78 1.803 2.008 -13.011 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.301 -0.373 -11.201 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.781 0.559 -11.317 1.00 0.00 H new ATOM 0 HG LEU A 78 0.111 1.585 -10.301 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.255 1.686 -8.119 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.186 0.025 -8.754 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.702 0.951 -8.851 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.357 3.610 -9.654 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.811 2.964 -10.450 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.369 3.358 -11.415 1.00 0.00 H new ATOM 1182 N SER A 79 2.907 0.265 -14.439 1.00 0.00 N ATOM 1183 CA SER A 79 3.396 -0.632 -15.471 1.00 0.00 C ATOM 1184 C SER A 79 4.914 -0.755 -15.433 1.00 0.00 C ATOM 1185 O SER A 79 5.584 -0.064 -14.661 1.00 0.00 O ATOM 1186 CB SER A 79 2.933 -0.143 -16.846 1.00 0.00 C ATOM 1187 OG SER A 79 1.519 -0.009 -16.884 1.00 0.00 O ATOM 0 H SER A 79 3.503 1.073 -14.259 1.00 0.00 H new ATOM 0 HA SER A 79 2.983 -1.623 -15.283 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.400 0.816 -17.072 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.257 -0.845 -17.615 1.00 0.00 H new ATOM 0 HG SER A 79 1.244 0.306 -17.770 1.00 0.00 H new ATOM 1193 N ASP A 80 5.430 -1.656 -16.266 1.00 0.00 N ATOM 1194 CA ASP A 80 6.858 -1.933 -16.363 1.00 0.00 C ATOM 1195 C ASP A 80 7.420 -2.334 -15.007 1.00 0.00 C ATOM 1196 O ASP A 80 6.724 -2.976 -14.216 1.00 0.00 O ATOM 1197 CB ASP A 80 7.610 -0.733 -16.951 1.00 0.00 C ATOM 1198 CG ASP A 80 8.946 -1.135 -17.548 1.00 0.00 C ATOM 1199 OD1 ASP A 80 8.955 -1.736 -18.646 1.00 0.00 O ATOM 1200 OD2 ASP A 80 9.991 -0.856 -16.923 1.00 0.00 O ATOM 0 H ASP A 80 4.861 -2.219 -16.898 1.00 0.00 H new ATOM 0 HA ASP A 80 7.000 -2.773 -17.043 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.997 -0.262 -17.719 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.771 0.011 -16.171 1.00 0.00 H new ATOM 1205 N ALA A 81 8.667 -1.959 -14.746 1.00 0.00 N ATOM 1206 CA ALA A 81 9.382 -2.397 -13.559 1.00 0.00 C ATOM 1207 C ALA A 81 8.584 -2.179 -12.280 1.00 0.00 C ATOM 1208 O ALA A 81 8.641 -3.007 -11.380 1.00 0.00 O ATOM 1209 CB ALA A 81 10.726 -1.693 -13.465 1.00 0.00 C ATOM 0 H ALA A 81 9.208 -1.343 -15.353 1.00 0.00 H new ATOM 0 HA ALA A 81 9.538 -3.471 -13.659 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.252 -2.030 -12.571 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.322 -1.928 -14.347 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.569 -0.616 -13.409 1.00 0.00 H new ATOM 1215 N GLU A 82 7.810 -1.097 -12.227 1.00 0.00 N ATOM 1216 CA GLU A 82 7.049 -0.741 -11.035 1.00 0.00 C ATOM 1217 C GLU A 82 6.192 -1.907 -10.570 1.00 0.00 C ATOM 1218 O GLU A 82 6.251 -2.299 -9.409 1.00 0.00 O ATOM 1219 CB GLU A 82 6.189 0.490 -11.337 1.00 0.00 C ATOM 1220 CG GLU A 82 5.068 0.738 -10.344 1.00 0.00 C ATOM 1221 CD GLU A 82 5.543 0.930 -8.917 1.00 0.00 C ATOM 1222 OE1 GLU A 82 6.571 1.605 -8.713 1.00 0.00 O ATOM 1223 OE2 GLU A 82 4.888 0.398 -7.997 1.00 0.00 O ATOM 0 H GLU A 82 7.694 -0.447 -13.005 1.00 0.00 H new ATOM 0 HA GLU A 82 7.739 -0.504 -10.225 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.833 1.369 -11.364 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.757 0.380 -12.332 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.511 1.622 -10.653 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.375 -0.103 -10.376 1.00 0.00 H new ATOM 1230 N THR A 83 5.432 -2.497 -11.473 1.00 0.00 N ATOM 1231 CA THR A 83 4.580 -3.597 -11.084 1.00 0.00 C ATOM 1232 C THR A 83 5.412 -4.827 -10.755 1.00 0.00 C ATOM 1233 O THR A 83 5.009 -5.632 -9.947 1.00 0.00 O ATOM 1234 CB THR A 83 3.562 -3.968 -12.172 1.00 0.00 C ATOM 1235 OG1 THR A 83 3.173 -2.799 -12.905 1.00 0.00 O ATOM 1236 CG2 THR A 83 2.328 -4.601 -11.545 1.00 0.00 C ATOM 0 H THR A 83 5.388 -2.239 -12.459 1.00 0.00 H new ATOM 0 HA THR A 83 4.032 -3.263 -10.203 1.00 0.00 H new ATOM 0 HB THR A 83 4.029 -4.682 -12.850 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.249 -2.564 -12.680 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.614 -4.859 -12.327 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.616 -5.503 -11.005 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.868 -3.895 -10.853 1.00 0.00 H new ATOM 1244 N LYS A 84 6.582 -4.953 -11.365 1.00 0.00 N ATOM 1245 CA LYS A 84 7.391 -6.153 -11.205 1.00 0.00 C ATOM 1246 C LYS A 84 8.136 -6.150 -9.874 1.00 0.00 C ATOM 1247 O LYS A 84 7.898 -6.997 -9.014 1.00 0.00 O ATOM 1248 CB LYS A 84 8.399 -6.254 -12.347 1.00 0.00 C ATOM 1249 CG LYS A 84 7.842 -5.812 -13.686 1.00 0.00 C ATOM 1250 CD LYS A 84 8.851 -5.982 -14.812 1.00 0.00 C ATOM 1251 CE LYS A 84 9.234 -7.439 -15.016 1.00 0.00 C ATOM 1252 NZ LYS A 84 10.131 -7.616 -16.188 1.00 0.00 N ATOM 0 H LYS A 84 6.991 -4.243 -11.972 1.00 0.00 H new ATOM 0 HA LYS A 84 6.720 -7.012 -11.222 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.271 -5.646 -12.106 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.742 -7.285 -12.428 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.946 -6.389 -13.913 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.541 -4.766 -13.625 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.433 -5.584 -15.737 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.745 -5.400 -14.589 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.729 -7.813 -14.120 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.332 -8.036 -15.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.370 -8.623 -16.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.649 -7.282 -17.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.003 -7.067 -16.044 1.00 0.00 H new ATOM 1266 N VAL A 85 9.016 -5.174 -9.702 1.00 0.00 N ATOM 1267 CA VAL A 85 9.869 -5.111 -8.521 1.00 0.00 C ATOM 1268 C VAL A 85 9.059 -4.770 -7.274 1.00 0.00 C ATOM 1269 O VAL A 85 9.315 -5.296 -6.192 1.00 0.00 O ATOM 1270 CB VAL A 85 11.022 -4.089 -8.707 1.00 0.00 C ATOM 1271 CG1 VAL A 85 10.492 -2.749 -9.185 1.00 0.00 C ATOM 1272 CG2 VAL A 85 11.813 -3.908 -7.420 1.00 0.00 C ATOM 0 H VAL A 85 9.159 -4.413 -10.366 1.00 0.00 H new ATOM 0 HA VAL A 85 10.309 -6.100 -8.389 1.00 0.00 H new ATOM 0 HB VAL A 85 11.691 -4.490 -9.468 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.321 -2.052 -9.307 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.984 -2.879 -10.140 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.790 -2.353 -8.451 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.613 -3.186 -7.583 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.151 -3.544 -6.634 1.00 0.00 H new ATOM 0 HG23 VAL A 85 12.242 -4.864 -7.119 1.00 0.00 H new ATOM 1282 N PHE A 86 8.059 -3.923 -7.433 1.00 0.00 N ATOM 1283 CA PHE A 86 7.270 -3.477 -6.312 1.00 0.00 C ATOM 1284 C PHE A 86 6.139 -4.456 -5.988 1.00 0.00 C ATOM 1285 O PHE A 86 5.562 -4.405 -4.904 1.00 0.00 O ATOM 1286 CB PHE A 86 6.787 -2.056 -6.559 1.00 0.00 C ATOM 1287 CG PHE A 86 7.863 -1.044 -6.283 1.00 0.00 C ATOM 1288 CD1 PHE A 86 8.227 -0.748 -4.980 1.00 0.00 C ATOM 1289 CD2 PHE A 86 8.518 -0.401 -7.318 1.00 0.00 C ATOM 1290 CE1 PHE A 86 9.222 0.173 -4.716 1.00 0.00 C ATOM 1291 CE2 PHE A 86 9.515 0.522 -7.060 1.00 0.00 C ATOM 1292 CZ PHE A 86 9.867 0.808 -5.757 1.00 0.00 C ATOM 0 H PHE A 86 7.778 -3.532 -8.332 1.00 0.00 H new ATOM 0 HA PHE A 86 7.894 -3.459 -5.419 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.454 -1.960 -7.593 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.924 -1.850 -5.926 1.00 0.00 H new ATOM 0 HD1 PHE A 86 7.727 -1.243 -4.161 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.247 -0.622 -8.340 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.495 0.396 -3.695 1.00 0.00 H new ATOM 0 HE2 PHE A 86 10.017 1.018 -7.877 1.00 0.00 H new ATOM 0 HZ PHE A 86 10.646 1.528 -5.552 1.00 0.00 H new ATOM 1302 N LEU A 87 5.814 -5.340 -6.930 1.00 0.00 N ATOM 1303 CA LEU A 87 5.021 -6.528 -6.610 1.00 0.00 C ATOM 1304 C LEU A 87 5.830 -7.391 -5.651 1.00 0.00 C ATOM 1305 O LEU A 87 5.321 -7.899 -4.654 1.00 0.00 O ATOM 1306 CB LEU A 87 4.737 -7.326 -7.883 1.00 0.00 C ATOM 1307 CG LEU A 87 3.754 -8.489 -7.782 1.00 0.00 C ATOM 1308 CD1 LEU A 87 2.320 -7.986 -7.676 1.00 0.00 C ATOM 1309 CD2 LEU A 87 3.912 -9.390 -8.994 1.00 0.00 C ATOM 0 H LEU A 87 6.083 -5.259 -7.910 1.00 0.00 H new ATOM 0 HA LEU A 87 4.073 -6.232 -6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.362 -6.634 -8.637 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.685 -7.718 -8.253 1.00 0.00 H new ATOM 0 HG LEU A 87 3.974 -9.057 -6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.641 -8.836 -7.605 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.217 -7.364 -6.787 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.074 -7.398 -8.560 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.211 -10.221 -8.923 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.709 -8.820 -9.900 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.930 -9.777 -9.030 1.00 0.00 H new ATOM 1321 N LYS A 88 7.117 -7.509 -5.958 1.00 0.00 N ATOM 1322 CA LYS A 88 8.039 -8.315 -5.172 1.00 0.00 C ATOM 1323 C LYS A 88 8.406 -7.623 -3.861 1.00 0.00 C ATOM 1324 O LYS A 88 8.959 -8.253 -2.958 1.00 0.00 O ATOM 1325 CB LYS A 88 9.290 -8.643 -5.987 1.00 0.00 C ATOM 1326 CG LYS A 88 8.983 -9.354 -7.292 1.00 0.00 C ATOM 1327 CD LYS A 88 8.355 -10.709 -7.030 1.00 0.00 C ATOM 1328 CE LYS A 88 8.009 -11.438 -8.320 1.00 0.00 C ATOM 1329 NZ LYS A 88 9.199 -11.663 -9.180 1.00 0.00 N ATOM 0 H LYS A 88 7.549 -7.048 -6.759 1.00 0.00 H new ATOM 0 HA LYS A 88 7.538 -9.249 -4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.829 -7.720 -6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.953 -9.267 -5.388 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.308 -8.745 -7.893 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.900 -9.478 -7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.041 -11.319 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.452 -10.580 -6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.551 -12.397 -8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.268 -10.860 -8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.948 -12.305 -9.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.522 -10.755 -9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.961 -12.087 -8.614 1.00 0.00 H new ATOM 1343 N ALA A 89 8.127 -6.321 -3.767 1.00 0.00 N ATOM 1344 CA ALA A 89 8.234 -5.612 -2.493 1.00 0.00 C ATOM 1345 C ALA A 89 7.415 -6.346 -1.449 1.00 0.00 C ATOM 1346 O ALA A 89 7.801 -6.452 -0.288 1.00 0.00 O ATOM 1347 CB ALA A 89 7.738 -4.175 -2.612 1.00 0.00 C ATOM 0 H ALA A 89 7.828 -5.742 -4.551 1.00 0.00 H new ATOM 0 HA ALA A 89 9.284 -5.582 -2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.832 -3.677 -1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.335 -3.644 -3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.693 -4.175 -2.920 1.00 0.00 H new ATOM 1353 N GLY A 90 6.281 -6.865 -1.890 1.00 0.00 N ATOM 1354 CA GLY A 90 5.454 -7.675 -1.037 1.00 0.00 C ATOM 1355 C GLY A 90 5.734 -9.138 -1.255 1.00 0.00 C ATOM 1356 O GLY A 90 6.125 -9.840 -0.328 1.00 0.00 O ATOM 0 H GLY A 90 5.920 -6.735 -2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.636 -7.417 0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.403 -7.467 -1.238 1.00 0.00 H new ATOM 1360 N ASP A 91 5.557 -9.587 -2.493 1.00 0.00 N ATOM 1361 CA ASP A 91 5.804 -10.977 -2.852 1.00 0.00 C ATOM 1362 C ASP A 91 7.274 -11.326 -2.678 1.00 0.00 C ATOM 1363 O ASP A 91 8.103 -11.013 -3.530 1.00 0.00 O ATOM 1364 CB ASP A 91 5.404 -11.246 -4.294 1.00 0.00 C ATOM 1365 CG ASP A 91 5.656 -12.687 -4.666 1.00 0.00 C ATOM 1366 OD1 ASP A 91 5.393 -13.575 -3.815 1.00 0.00 O ATOM 1367 OD2 ASP A 91 6.111 -12.946 -5.795 1.00 0.00 O ATOM 0 H ASP A 91 5.242 -9.004 -3.268 1.00 0.00 H new ATOM 0 HA ASP A 91 5.201 -11.596 -2.188 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.349 -11.010 -4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.967 -10.591 -4.959 1.00 0.00 H new ATOM 1372 N SER A 92 7.597 -11.981 -1.582 1.00 0.00 N ATOM 1373 CA SER A 92 8.971 -12.333 -1.297 1.00 0.00 C ATOM 1374 C SER A 92 9.236 -13.765 -1.727 1.00 0.00 C ATOM 1375 O SER A 92 10.367 -14.246 -1.681 1.00 0.00 O ATOM 1376 CB SER A 92 9.254 -12.141 0.190 1.00 0.00 C ATOM 1377 OG SER A 92 8.978 -10.803 0.579 1.00 0.00 O ATOM 0 H SER A 92 6.926 -12.280 -0.874 1.00 0.00 H new ATOM 0 HA SER A 92 9.641 -11.681 -1.858 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.644 -12.829 0.774 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.296 -12.380 0.402 1.00 0.00 H new ATOM 0 HG SER A 92 8.032 -10.604 0.417 1.00 0.00 H new ATOM 1383 N ASP A 93 8.176 -14.434 -2.160 1.00 0.00 N ATOM 1384 CA ASP A 93 8.273 -15.825 -2.586 1.00 0.00 C ATOM 1385 C ASP A 93 8.743 -15.915 -4.030 1.00 0.00 C ATOM 1386 O ASP A 93 9.336 -16.913 -4.443 1.00 0.00 O ATOM 1387 CB ASP A 93 6.924 -16.538 -2.473 1.00 0.00 C ATOM 1388 CG ASP A 93 6.064 -16.011 -1.348 1.00 0.00 C ATOM 1389 OD1 ASP A 93 5.292 -15.052 -1.594 1.00 0.00 O ATOM 1390 OD2 ASP A 93 6.142 -16.550 -0.226 1.00 0.00 O ATOM 0 H ASP A 93 7.239 -14.037 -2.226 1.00 0.00 H new ATOM 0 HA ASP A 93 8.994 -16.309 -1.928 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.385 -16.432 -3.414 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.095 -17.604 -2.322 1.00 0.00 H new ATOM 1395 N GLY A 94 8.468 -14.863 -4.793 1.00 0.00 N ATOM 1396 CA GLY A 94 8.803 -14.851 -6.204 1.00 0.00 C ATOM 1397 C GLY A 94 7.781 -15.605 -7.032 1.00 0.00 C ATOM 1398 O GLY A 94 8.137 -16.373 -7.926 1.00 0.00 O ATOM 0 H GLY A 94 8.016 -14.013 -4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 94 8.865 -13.821 -6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.787 -15.297 -6.348 1.00 0.00 H new ATOM 1402 N ASP A 95 6.511 -15.376 -6.735 1.00 0.00 N ATOM 1403 CA ASP A 95 5.423 -16.096 -7.390 1.00 0.00 C ATOM 1404 C ASP A 95 4.636 -15.190 -8.336 1.00 0.00 C ATOM 1405 O ASP A 95 3.971 -15.668 -9.258 1.00 0.00 O ATOM 1406 CB ASP A 95 4.483 -16.720 -6.347 1.00 0.00 C ATOM 1407 CG ASP A 95 4.043 -15.735 -5.279 1.00 0.00 C ATOM 1408 OD1 ASP A 95 3.417 -14.722 -5.611 1.00 0.00 O ATOM 1409 OD2 ASP A 95 4.346 -15.954 -4.086 1.00 0.00 O ATOM 0 H ASP A 95 6.205 -14.694 -6.041 1.00 0.00 H new ATOM 0 HA ASP A 95 5.870 -16.892 -7.985 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.602 -17.117 -6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.985 -17.562 -5.871 1.00 0.00 H new ATOM 1414 N GLY A 96 4.725 -13.882 -8.123 1.00 0.00 N ATOM 1415 CA GLY A 96 4.052 -12.945 -9.004 1.00 0.00 C ATOM 1416 C GLY A 96 2.649 -12.607 -8.533 1.00 0.00 C ATOM 1417 O GLY A 96 1.769 -12.297 -9.337 1.00 0.00 O ATOM 0 H GLY A 96 5.249 -13.455 -7.359 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.639 -12.029 -9.072 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.003 -13.367 -10.008 1.00 0.00 H new ATOM 1421 N LYS A 97 2.443 -12.685 -7.231 1.00 0.00 N ATOM 1422 CA LYS A 97 1.163 -12.368 -6.620 1.00 0.00 C ATOM 1423 C LYS A 97 1.408 -11.558 -5.375 1.00 0.00 C ATOM 1424 O LYS A 97 2.509 -11.552 -4.825 1.00 0.00 O ATOM 1425 CB LYS A 97 0.420 -13.656 -6.243 1.00 0.00 C ATOM 1426 CG LYS A 97 0.643 -14.096 -4.797 1.00 0.00 C ATOM 1427 CD LYS A 97 0.362 -15.578 -4.612 1.00 0.00 C ATOM 1428 CE LYS A 97 -1.103 -15.922 -4.832 1.00 0.00 C ATOM 1429 NZ LYS A 97 -1.972 -15.376 -3.760 1.00 0.00 N ATOM 0 H LYS A 97 3.160 -12.971 -6.565 1.00 0.00 H new ATOM 0 HA LYS A 97 0.556 -11.804 -7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.648 -13.510 -6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.739 -14.457 -6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.671 -13.881 -4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.003 -13.518 -4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.975 -16.151 -5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.656 -15.878 -3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.426 -15.529 -5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.218 -17.005 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.692 -16.081 -3.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.394 -15.152 -2.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.440 -14.511 -4.099 1.00 0.00 H new ATOM 1443 N ILE A 98 0.386 -10.897 -4.912 1.00 0.00 N ATOM 1444 CA ILE A 98 0.497 -10.155 -3.692 1.00 0.00 C ATOM 1445 C ILE A 98 -0.247 -10.871 -2.592 1.00 0.00 C ATOM 1446 O ILE A 98 -1.474 -10.821 -2.510 1.00 0.00 O ATOM 1447 CB ILE A 98 -0.014 -8.708 -3.841 1.00 0.00 C ATOM 1448 CG1 ILE A 98 0.998 -7.872 -4.621 1.00 0.00 C ATOM 1449 CG2 ILE A 98 -0.286 -8.080 -2.484 1.00 0.00 C ATOM 1450 CD1 ILE A 98 2.346 -7.766 -3.946 1.00 0.00 C ATOM 0 H ILE A 98 -0.530 -10.857 -5.360 1.00 0.00 H new ATOM 0 HA ILE A 98 1.554 -10.092 -3.435 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.954 -8.734 -4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.130 -8.308 -5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.594 -6.870 -4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.645 -7.060 -2.621 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.042 -8.663 -1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.633 -8.066 -1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.012 -7.158 -4.558 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.227 -7.302 -2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.772 -8.762 -3.826 1.00 0.00 H new ATOM 1462 N GLY A 99 0.504 -11.599 -1.790 1.00 0.00 N ATOM 1463 CA GLY A 99 -0.034 -12.065 -0.550 1.00 0.00 C ATOM 1464 C GLY A 99 -0.427 -10.874 0.273 1.00 0.00 C ATOM 1465 O GLY A 99 0.286 -9.877 0.288 1.00 0.00 O ATOM 0 H GLY A 99 1.469 -11.871 -1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.898 -12.705 -0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.704 -12.666 -0.019 1.00 0.00 H new ATOM 1469 N VAL A 100 -1.556 -10.940 0.918 1.00 0.00 N ATOM 1470 CA VAL A 100 -2.057 -9.797 1.652 1.00 0.00 C ATOM 1471 C VAL A 100 -1.141 -9.476 2.822 1.00 0.00 C ATOM 1472 O VAL A 100 -0.821 -8.315 3.084 1.00 0.00 O ATOM 1473 CB VAL A 100 -3.478 -10.072 2.122 1.00 0.00 C ATOM 1474 CG1 VAL A 100 -4.032 -8.904 2.919 1.00 0.00 C ATOM 1475 CG2 VAL A 100 -4.335 -10.392 0.913 1.00 0.00 C ATOM 0 H VAL A 100 -2.151 -11.768 0.955 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.074 -8.926 0.996 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.482 -10.928 2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.048 -9.132 3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.405 -8.731 3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.040 -8.010 2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.357 -10.592 1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.329 -9.544 0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.936 -11.271 0.406 1.00 0.00 H new ATOM 1485 N ASP A 101 -0.700 -10.523 3.495 1.00 0.00 N ATOM 1486 CA ASP A 101 0.330 -10.406 4.519 1.00 0.00 C ATOM 1487 C ASP A 101 1.618 -9.846 3.910 1.00 0.00 C ATOM 1488 O ASP A 101 2.352 -9.094 4.553 1.00 0.00 O ATOM 1489 CB ASP A 101 0.586 -11.776 5.148 1.00 0.00 C ATOM 1490 CG ASP A 101 1.657 -11.741 6.213 1.00 0.00 C ATOM 1491 OD1 ASP A 101 1.359 -11.316 7.347 1.00 0.00 O ATOM 1492 OD2 ASP A 101 2.798 -12.149 5.928 1.00 0.00 O ATOM 0 H ASP A 101 -1.041 -11.474 3.351 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.010 -9.719 5.294 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.341 -12.150 5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.878 -12.480 4.368 1.00 0.00 H new ATOM 1497 N GLU A 102 1.867 -10.205 2.652 1.00 0.00 N ATOM 1498 CA GLU A 102 3.022 -9.707 1.909 1.00 0.00 C ATOM 1499 C GLU A 102 2.868 -8.214 1.608 1.00 0.00 C ATOM 1500 O GLU A 102 3.826 -7.447 1.704 1.00 0.00 O ATOM 1501 CB GLU A 102 3.186 -10.484 0.592 1.00 0.00 C ATOM 1502 CG GLU A 102 3.474 -11.968 0.774 1.00 0.00 C ATOM 1503 CD GLU A 102 4.839 -12.223 1.381 1.00 0.00 C ATOM 1504 OE1 GLU A 102 4.966 -12.150 2.624 1.00 0.00 O ATOM 1505 OE2 GLU A 102 5.793 -12.477 0.617 1.00 0.00 O ATOM 0 H GLU A 102 1.277 -10.846 2.122 1.00 0.00 H new ATOM 0 HA GLU A 102 3.909 -9.853 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.277 -10.372 0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.997 -10.036 0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.708 -12.408 1.412 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.410 -12.469 -0.192 1.00 0.00 H new ATOM 1512 N PHE A 103 1.655 -7.810 1.241 1.00 0.00 N ATOM 1513 CA PHE A 103 1.373 -6.417 0.917 1.00 0.00 C ATOM 1514 C PHE A 103 1.534 -5.552 2.154 1.00 0.00 C ATOM 1515 O PHE A 103 2.164 -4.498 2.104 1.00 0.00 O ATOM 1516 CB PHE A 103 -0.042 -6.266 0.353 1.00 0.00 C ATOM 1517 CG PHE A 103 -0.262 -4.975 -0.389 1.00 0.00 C ATOM 1518 CD1 PHE A 103 0.254 -4.800 -1.662 1.00 0.00 C ATOM 1519 CD2 PHE A 103 -0.981 -3.941 0.182 1.00 0.00 C ATOM 1520 CE1 PHE A 103 0.058 -3.620 -2.351 1.00 0.00 C ATOM 1521 CE2 PHE A 103 -1.179 -2.756 -0.503 1.00 0.00 C ATOM 1522 CZ PHE A 103 -0.660 -2.596 -1.771 1.00 0.00 C ATOM 0 H PHE A 103 0.850 -8.431 1.161 1.00 0.00 H new ATOM 0 HA PHE A 103 2.083 -6.091 0.157 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.247 -7.100 -0.318 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.759 -6.331 1.171 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.818 -5.598 -2.122 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.392 -4.060 1.173 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.467 -3.499 -3.343 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.740 -1.955 -0.045 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.816 -1.672 -2.308 1.00 0.00 H new ATOM 1532 N GLY A 104 0.975 -6.014 3.267 1.00 0.00 N ATOM 1533 CA GLY A 104 1.131 -5.307 4.525 1.00 0.00 C ATOM 1534 C GLY A 104 2.590 -5.147 4.896 1.00 0.00 C ATOM 1535 O GLY A 104 2.993 -4.127 5.453 1.00 0.00 O ATOM 0 H GLY A 104 0.416 -6.866 3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.664 -4.325 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.611 -5.849 5.315 1.00 0.00 H new ATOM 1539 N ALA A 105 3.387 -6.151 4.555 1.00 0.00 N ATOM 1540 CA ALA A 105 4.816 -6.120 4.814 1.00 0.00 C ATOM 1541 C ALA A 105 5.503 -5.034 3.990 1.00 0.00 C ATOM 1542 O ALA A 105 6.396 -4.358 4.484 1.00 0.00 O ATOM 1543 CB ALA A 105 5.432 -7.478 4.523 1.00 0.00 C ATOM 0 H ALA A 105 3.063 -7.002 4.095 1.00 0.00 H new ATOM 0 HA ALA A 105 4.965 -5.884 5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.503 -7.442 4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.970 -8.231 5.161 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.265 -7.737 3.477 1.00 0.00 H new ATOM 1549 N MET A 106 5.079 -4.852 2.738 1.00 0.00 N ATOM 1550 CA MET A 106 5.687 -3.832 1.881 1.00 0.00 C ATOM 1551 C MET A 106 5.220 -2.438 2.296 1.00 0.00 C ATOM 1552 O MET A 106 5.872 -1.438 2.000 1.00 0.00 O ATOM 1553 CB MET A 106 5.369 -4.061 0.394 1.00 0.00 C ATOM 1554 CG MET A 106 4.068 -3.418 -0.064 1.00 0.00 C ATOM 1555 SD MET A 106 3.894 -3.310 -1.858 1.00 0.00 S ATOM 1556 CE MET A 106 3.619 -5.020 -2.293 1.00 0.00 C ATOM 0 H MET A 106 4.330 -5.388 2.300 1.00 0.00 H new ATOM 0 HA MET A 106 6.767 -3.910 2.009 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.189 -3.668 -0.208 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.320 -5.133 0.204 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.231 -3.989 0.338 1.00 0.00 H new ATOM 0 HG3 MET A 106 4.002 -2.415 0.358 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.476 -5.396 -2.851 1.00 0.00 H new ATOM 0 HE2 MET A 106 3.490 -5.610 -1.386 1.00 0.00 H new ATOM 0 HE3 MET A 106 2.723 -5.099 -2.908 1.00 0.00 H new ATOM 1566 N ILE A 107 4.082 -2.380 2.977 1.00 0.00 N ATOM 1567 CA ILE A 107 3.541 -1.119 3.462 1.00 0.00 C ATOM 1568 C ILE A 107 4.282 -0.703 4.722 1.00 0.00 C ATOM 1569 O ILE A 107 4.594 0.471 4.937 1.00 0.00 O ATOM 1570 CB ILE A 107 2.027 -1.243 3.767 1.00 0.00 C ATOM 1571 CG1 ILE A 107 1.247 -1.537 2.487 1.00 0.00 C ATOM 1572 CG2 ILE A 107 1.506 0.021 4.425 1.00 0.00 C ATOM 1573 CD1 ILE A 107 -0.237 -1.709 2.714 1.00 0.00 C ATOM 0 H ILE A 107 3.515 -3.196 3.206 1.00 0.00 H new ATOM 0 HA ILE A 107 3.673 -0.365 2.686 1.00 0.00 H new ATOM 0 HB ILE A 107 1.885 -2.073 4.459 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.407 -0.724 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.644 -2.443 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 107 0.441 -0.088 4.630 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.040 0.191 5.360 1.00 0.00 H new ATOM 0 HG23 ILE A 107 1.662 0.869 3.758 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.729 -1.915 1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.406 -2.540 3.398 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.648 -0.796 3.144 1.00 0.00 H new ATOM 1585 N LYS A 108 4.585 -1.698 5.529 1.00 0.00 N ATOM 1586 CA LYS A 108 5.226 -1.496 6.812 1.00 0.00 C ATOM 1587 C LYS A 108 6.748 -1.389 6.669 1.00 0.00 C ATOM 1588 O LYS A 108 7.418 -0.806 7.526 1.00 0.00 O ATOM 1589 CB LYS A 108 4.795 -2.642 7.740 1.00 0.00 C ATOM 1590 CG LYS A 108 5.670 -2.885 8.965 1.00 0.00 C ATOM 1591 CD LYS A 108 6.836 -3.813 8.644 1.00 0.00 C ATOM 1592 CE LYS A 108 7.554 -4.266 9.901 1.00 0.00 C ATOM 1593 NZ LYS A 108 8.730 -5.124 9.593 1.00 0.00 N ATOM 0 H LYS A 108 4.392 -2.676 5.312 1.00 0.00 H new ATOM 0 HA LYS A 108 4.912 -0.548 7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.779 -2.443 8.080 1.00 0.00 H new ATOM 0 HB3 LYS A 108 4.762 -3.561 7.156 1.00 0.00 H new ATOM 0 HG2 LYS A 108 6.052 -1.934 9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 108 5.068 -3.319 9.763 1.00 0.00 H new ATOM 0 HD2 LYS A 108 6.469 -4.684 8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 108 7.539 -3.300 7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 108 7.880 -3.393 10.467 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.860 -4.816 10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.192 -5.411 10.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.417 -5.970 9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 9.405 -4.591 9.008 1.00 0.00 H new ATOM 1607 N ALA A 109 7.291 -1.938 5.589 1.00 0.00 N ATOM 1608 CA ALA A 109 8.724 -1.860 5.347 1.00 0.00 C ATOM 1609 C ALA A 109 9.045 -0.694 4.423 1.00 0.00 C ATOM 1610 O ALA A 109 9.093 0.451 4.915 1.00 0.00 O ATOM 1611 CB ALA A 109 9.246 -3.165 4.766 1.00 0.00 C ATOM 1612 OXT ALA A 109 9.251 -0.923 3.214 1.00 0.00 O ATOM 0 H ALA A 109 6.764 -2.438 4.873 1.00 0.00 H new ATOM 0 HA ALA A 109 9.223 -1.691 6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.319 -3.083 4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.052 -3.978 5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.741 -3.371 3.822 1.00 0.00 H new