USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=21 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+ -167:sc= 0.948 (180deg=-0.000351) USER MOD Set 1.2: A 83 THR OG1 : rot 90:sc= 0.85 USER MOD Single : A 8 ASN : amide:sc= -2.09 K(o=-2.1,f=-0.0069) USER MOD Single : A 13 THR OG1 : rot 94:sc= 1.3 USER MOD Single : A 19 CYS SG : rot 180:sc= 0.771 USER MOD Single : A 20 LYS NZ :NH3+ -175:sc= 1.13 (180deg=1.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.0374 X(o=-0.037,f=-0.0056) USER MOD Single : A 28 LYS NZ :NH3+ 168:sc=-0.00772 (180deg=-0.137) 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+ -111:sc= 1.25 (180deg=-0.264) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= -0.0245 (180deg=-0.156) USER MOD Single : A 46 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.978) USER MOD Single : A 53 GLN : amide:sc= -2! K(o=-2!,f=-0.63) USER MOD Single : A 55 LYS NZ :NH3+ -166:sc= 1.23 (180deg=1.13) USER MOD Single : A 56 SER OG : rot 136:sc= 1.23 USER MOD Single : A 69 GLN : amide:sc= -2.47! K(o=-2.5!,f=-0.4) USER MOD Single : A 70 ASN : amide:sc= -0.809 X(o=-0.81,f=-1.3) USER MOD Single : A 72 SER OG : rot -40:sc=0.000546 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.118) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 174:sc= 1.22 (180deg=0.839) USER MOD Single : A 106 MET CE :methyl -108:sc= -0.575 (180deg=-3.35) USER MOD Single : A 108 LYS NZ :NH3+ -163:sc= -0.0456 (180deg=-0.369) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -13.834 6.470 4.280 1.00 0.00 N ATOM 61 CA GLY A 5 -12.965 7.317 5.076 1.00 0.00 C ATOM 62 C GLY A 5 -11.739 6.584 5.582 1.00 0.00 C ATOM 63 O GLY A 5 -10.845 7.194 6.169 1.00 0.00 O ATOM 0 HA2 GLY A 5 -12.651 8.173 4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.525 7.710 5.925 1.00 0.00 H new ATOM 67 N ILE A 6 -11.696 5.271 5.358 1.00 0.00 N ATOM 68 CA ILE A 6 -10.516 4.474 5.682 1.00 0.00 C ATOM 69 C ILE A 6 -9.336 4.960 4.849 1.00 0.00 C ATOM 70 O ILE A 6 -8.178 4.880 5.258 1.00 0.00 O ATOM 71 CB ILE A 6 -10.759 2.968 5.419 1.00 0.00 C ATOM 72 CG1 ILE A 6 -11.855 2.440 6.350 1.00 0.00 C ATOM 73 CG2 ILE A 6 -9.475 2.162 5.587 1.00 0.00 C ATOM 74 CD1 ILE A 6 -12.075 0.945 6.249 1.00 0.00 C ATOM 0 H ILE A 6 -12.466 4.738 4.953 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.300 4.596 6.743 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.089 2.852 4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.597 2.691 7.379 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -12.790 2.952 6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.679 1.109 5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.725 2.520 4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.102 2.280 6.604 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.865 0.646 6.937 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.365 0.688 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.153 0.423 6.507 1.00 0.00 H new ATOM 86 N LEU A 7 -9.658 5.487 3.684 1.00 0.00 N ATOM 87 CA LEU A 7 -8.676 6.060 2.793 1.00 0.00 C ATOM 88 C LEU A 7 -9.226 7.353 2.224 1.00 0.00 C ATOM 89 O LEU A 7 -10.439 7.507 2.083 1.00 0.00 O ATOM 90 CB LEU A 7 -8.353 5.104 1.638 1.00 0.00 C ATOM 91 CG LEU A 7 -9.506 4.865 0.652 1.00 0.00 C ATOM 92 CD1 LEU A 7 -8.972 4.429 -0.698 1.00 0.00 C ATOM 93 CD2 LEU A 7 -10.470 3.820 1.192 1.00 0.00 C ATOM 0 H LEU A 7 -10.614 5.529 3.330 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.761 6.244 3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.500 5.499 1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.047 4.145 2.055 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.044 5.805 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.804 4.265 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.320 5.205 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.407 3.504 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -11.279 3.667 0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.939 2.881 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.884 4.163 2.140 1.00 0.00 H new ATOM 105 N ASN A 8 -8.350 8.291 1.934 1.00 0.00 N ATOM 106 CA ASN A 8 -8.744 9.476 1.198 1.00 0.00 C ATOM 107 C ASN A 8 -8.319 9.314 -0.248 1.00 0.00 C ATOM 108 O ASN A 8 -7.129 9.235 -0.549 1.00 0.00 O ATOM 109 CB ASN A 8 -8.123 10.745 1.793 1.00 0.00 C ATOM 110 CG ASN A 8 -8.805 11.207 3.072 1.00 0.00 C ATOM 111 OD1 ASN A 8 -8.890 12.406 3.341 1.00 0.00 O ATOM 112 ND2 ASN A 8 -9.293 10.272 3.870 1.00 0.00 N ATOM 0 H ASN A 8 -7.364 8.258 2.195 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.827 9.585 1.264 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.068 10.563 1.998 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.171 11.545 1.054 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.757 10.535 4.739 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.205 9.288 3.616 1.00 0.00 H new ATOM 119 N ASP A 9 -9.308 9.241 -1.133 1.00 0.00 N ATOM 120 CA ASP A 9 -9.075 9.053 -2.565 1.00 0.00 C ATOM 121 C ASP A 9 -8.117 10.103 -3.107 1.00 0.00 C ATOM 122 O ASP A 9 -7.317 9.831 -4.001 1.00 0.00 O ATOM 123 CB ASP A 9 -10.400 9.123 -3.331 1.00 0.00 C ATOM 124 CG ASP A 9 -11.130 10.439 -3.134 1.00 0.00 C ATOM 125 OD1 ASP A 9 -11.743 10.633 -2.061 1.00 0.00 O ATOM 126 OD2 ASP A 9 -11.093 11.287 -4.047 1.00 0.00 O ATOM 0 H ASP A 9 -10.294 9.310 -0.880 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.626 8.069 -2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.207 8.976 -4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.044 8.305 -3.008 1.00 0.00 H new ATOM 131 N ALA A 10 -8.213 11.298 -2.554 1.00 0.00 N ATOM 132 CA ALA A 10 -7.342 12.399 -2.927 1.00 0.00 C ATOM 133 C ALA A 10 -5.887 12.110 -2.567 1.00 0.00 C ATOM 134 O ALA A 10 -4.981 12.469 -3.315 1.00 0.00 O ATOM 135 CB ALA A 10 -7.811 13.678 -2.253 1.00 0.00 C ATOM 0 H ALA A 10 -8.896 11.533 -1.834 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.394 12.521 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.154 14.500 -2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.830 13.903 -2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.786 13.549 -1.171 1.00 0.00 H new ATOM 141 N ASP A 11 -5.666 11.442 -1.437 1.00 0.00 N ATOM 142 CA ASP A 11 -4.307 11.138 -0.983 1.00 0.00 C ATOM 143 C ASP A 11 -3.647 10.123 -1.890 1.00 0.00 C ATOM 144 O ASP A 11 -2.504 10.301 -2.315 1.00 0.00 O ATOM 145 CB ASP A 11 -4.294 10.618 0.459 1.00 0.00 C ATOM 146 CG ASP A 11 -4.406 11.717 1.495 1.00 0.00 C ATOM 147 OD1 ASP A 11 -3.756 12.770 1.329 1.00 0.00 O ATOM 148 OD2 ASP A 11 -5.131 11.525 2.493 1.00 0.00 O ATOM 0 H ASP A 11 -6.404 11.102 -0.821 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.745 12.071 -1.019 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.118 9.918 0.592 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.372 10.061 0.629 1.00 0.00 H new ATOM 153 N ILE A 12 -4.371 9.060 -2.181 1.00 0.00 N ATOM 154 CA ILE A 12 -3.884 8.029 -3.078 1.00 0.00 C ATOM 155 C ILE A 12 -3.581 8.633 -4.446 1.00 0.00 C ATOM 156 O ILE A 12 -2.472 8.507 -4.958 1.00 0.00 O ATOM 157 CB ILE A 12 -4.912 6.883 -3.208 1.00 0.00 C ATOM 158 CG1 ILE A 12 -4.879 5.960 -1.980 1.00 0.00 C ATOM 159 CG2 ILE A 12 -4.672 6.069 -4.474 1.00 0.00 C ATOM 160 CD1 ILE A 12 -5.387 6.590 -0.700 1.00 0.00 C ATOM 0 H ILE A 12 -5.304 8.887 -1.807 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.966 7.612 -2.664 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.899 7.342 -3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.475 5.073 -2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.854 5.625 -1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.411 5.270 -4.538 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.762 6.717 -5.346 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.672 5.637 -4.445 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.326 5.865 0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.777 7.460 -0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.424 6.899 -0.833 1.00 0.00 H new ATOM 172 N THR A 13 -4.567 9.321 -5.006 1.00 0.00 N ATOM 173 CA THR A 13 -4.414 10.004 -6.282 1.00 0.00 C ATOM 174 C THR A 13 -3.217 10.968 -6.265 1.00 0.00 C ATOM 175 O THR A 13 -2.522 11.123 -7.272 1.00 0.00 O ATOM 176 CB THR A 13 -5.698 10.779 -6.627 1.00 0.00 C ATOM 177 OG1 THR A 13 -6.821 9.886 -6.624 1.00 0.00 O ATOM 178 CG2 THR A 13 -5.587 11.450 -7.985 1.00 0.00 C ATOM 0 H THR A 13 -5.493 9.421 -4.589 1.00 0.00 H new ATOM 0 HA THR A 13 -4.230 9.246 -7.043 1.00 0.00 H new ATOM 0 HB THR A 13 -5.839 11.552 -5.872 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.250 9.903 -5.743 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.509 11.990 -8.201 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.751 12.149 -7.978 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.421 10.694 -8.752 1.00 0.00 H new ATOM 186 N ALA A 14 -2.974 11.599 -5.118 1.00 0.00 N ATOM 187 CA ALA A 14 -1.846 12.513 -4.964 1.00 0.00 C ATOM 188 C ALA A 14 -0.523 11.769 -5.090 1.00 0.00 C ATOM 189 O ALA A 14 0.419 12.257 -5.718 1.00 0.00 O ATOM 190 CB ALA A 14 -1.917 13.227 -3.626 1.00 0.00 C ATOM 0 H ALA A 14 -3.545 11.493 -4.280 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.903 13.254 -5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.068 13.904 -3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.844 13.797 -3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.890 12.493 -2.820 1.00 0.00 H new ATOM 196 N ALA A 15 -0.452 10.589 -4.487 1.00 0.00 N ATOM 197 CA ALA A 15 0.727 9.742 -4.602 1.00 0.00 C ATOM 198 C ALA A 15 0.942 9.340 -6.056 1.00 0.00 C ATOM 199 O ALA A 15 2.063 9.361 -6.558 1.00 0.00 O ATOM 200 CB ALA A 15 0.587 8.510 -3.721 1.00 0.00 C ATOM 0 H ALA A 15 -1.198 10.197 -3.913 1.00 0.00 H new ATOM 0 HA ALA A 15 1.597 10.305 -4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.477 7.889 -3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.472 8.817 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.289 7.940 -4.029 1.00 0.00 H new ATOM 206 N LEU A 16 -0.153 8.998 -6.728 1.00 0.00 N ATOM 207 CA LEU A 16 -0.119 8.659 -8.149 1.00 0.00 C ATOM 208 C LEU A 16 0.353 9.848 -8.978 1.00 0.00 C ATOM 209 O LEU A 16 1.050 9.681 -9.971 1.00 0.00 O ATOM 210 CB LEU A 16 -1.505 8.216 -8.636 1.00 0.00 C ATOM 211 CG LEU A 16 -1.876 6.747 -8.397 1.00 0.00 C ATOM 212 CD1 LEU A 16 -0.949 5.822 -9.169 1.00 0.00 C ATOM 213 CD2 LEU A 16 -1.855 6.405 -6.920 1.00 0.00 C ATOM 0 H LEU A 16 -1.082 8.948 -6.309 1.00 0.00 H new ATOM 0 HA LEU A 16 0.584 7.835 -8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.254 8.841 -8.149 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.571 8.415 -9.706 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.893 6.602 -8.762 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.232 4.786 -8.984 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.028 6.035 -10.235 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.079 5.982 -8.843 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.122 5.357 -6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.856 6.579 -6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.572 7.033 -6.391 1.00 0.00 H new ATOM 225 N ALA A 17 -0.026 11.048 -8.557 1.00 0.00 N ATOM 226 CA ALA A 17 0.353 12.264 -9.262 1.00 0.00 C ATOM 227 C ALA A 17 1.861 12.493 -9.191 1.00 0.00 C ATOM 228 O ALA A 17 2.467 13.011 -10.130 1.00 0.00 O ATOM 229 CB ALA A 17 -0.398 13.458 -8.692 1.00 0.00 C ATOM 0 H ALA A 17 -0.598 11.205 -7.727 1.00 0.00 H new ATOM 0 HA ALA A 17 0.082 12.149 -10.312 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.106 14.361 -9.228 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.471 13.301 -8.804 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.156 13.569 -7.635 1.00 0.00 H new ATOM 235 N ALA A 18 2.464 12.088 -8.081 1.00 0.00 N ATOM 236 CA ALA A 18 3.902 12.240 -7.893 1.00 0.00 C ATOM 237 C ALA A 18 4.658 11.068 -8.494 1.00 0.00 C ATOM 238 O ALA A 18 5.883 11.101 -8.607 1.00 0.00 O ATOM 239 CB ALA A 18 4.240 12.349 -6.417 1.00 0.00 C ATOM 0 H ALA A 18 1.980 11.651 -7.296 1.00 0.00 H new ATOM 0 HA ALA A 18 4.204 13.155 -8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.318 12.462 -6.298 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.735 13.216 -5.991 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.910 11.447 -5.901 1.00 0.00 H new ATOM 245 N CYS A 19 3.931 10.035 -8.871 1.00 0.00 N ATOM 246 CA CYS A 19 4.546 8.809 -9.347 1.00 0.00 C ATOM 247 C CYS A 19 3.940 8.356 -10.669 1.00 0.00 C ATOM 248 O CYS A 19 3.905 7.163 -10.970 1.00 0.00 O ATOM 249 CB CYS A 19 4.384 7.720 -8.289 1.00 0.00 C ATOM 250 SG CYS A 19 5.311 8.019 -6.764 1.00 0.00 S ATOM 0 H CYS A 19 2.911 10.019 -8.857 1.00 0.00 H new ATOM 0 HA CYS A 19 5.605 8.999 -9.522 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.326 7.622 -8.044 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.702 6.768 -8.713 1.00 0.00 H new ATOM 0 HG CYS A 19 5.105 7.041 -5.932 1.00 0.00 H new ATOM 256 N LYS A 20 3.477 9.311 -11.468 1.00 0.00 N ATOM 257 CA LYS A 20 2.859 8.999 -12.738 1.00 0.00 C ATOM 258 C LYS A 20 3.886 8.969 -13.860 1.00 0.00 C ATOM 259 O LYS A 20 3.545 8.773 -15.026 1.00 0.00 O ATOM 260 CB LYS A 20 1.725 9.987 -13.044 1.00 0.00 C ATOM 261 CG LYS A 20 2.040 11.465 -12.817 1.00 0.00 C ATOM 262 CD LYS A 20 2.976 12.034 -13.870 1.00 0.00 C ATOM 263 CE LYS A 20 3.024 13.555 -13.809 1.00 0.00 C ATOM 264 NZ LYS A 20 3.509 14.057 -12.496 1.00 0.00 N ATOM 0 H LYS A 20 3.521 10.307 -11.252 1.00 0.00 H new ATOM 0 HA LYS A 20 2.427 8.001 -12.668 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.427 9.856 -14.084 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.864 9.722 -12.430 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.111 12.034 -12.817 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.490 11.589 -11.832 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.978 11.631 -13.724 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.647 11.718 -14.860 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.676 13.927 -14.600 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.029 13.955 -14.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.443 15.095 -12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.924 13.658 -11.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.499 13.770 -12.359 1.00 0.00 H new ATOM 278 N ALA A 21 5.143 9.172 -13.500 1.00 0.00 N ATOM 279 CA ALA A 21 6.235 9.074 -14.453 1.00 0.00 C ATOM 280 C ALA A 21 6.821 7.671 -14.434 1.00 0.00 C ATOM 281 O ALA A 21 7.081 7.110 -13.367 1.00 0.00 O ATOM 282 CB ALA A 21 7.311 10.103 -14.142 1.00 0.00 C ATOM 0 H ALA A 21 5.432 9.407 -12.550 1.00 0.00 H new ATOM 0 HA ALA A 21 5.845 9.278 -15.450 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.120 10.014 -14.867 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.884 11.104 -14.197 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.701 9.930 -13.139 1.00 0.00 H new ATOM 288 N GLU A 22 7.019 7.111 -15.621 1.00 0.00 N ATOM 289 CA GLU A 22 7.538 5.757 -15.760 1.00 0.00 C ATOM 290 C GLU A 22 8.938 5.637 -15.163 1.00 0.00 C ATOM 291 O GLU A 22 9.839 6.417 -15.485 1.00 0.00 O ATOM 292 CB GLU A 22 7.546 5.345 -17.236 1.00 0.00 C ATOM 293 CG GLU A 22 8.222 6.354 -18.152 1.00 0.00 C ATOM 294 CD GLU A 22 8.250 5.903 -19.595 1.00 0.00 C ATOM 295 OE1 GLU A 22 7.264 6.141 -20.319 1.00 0.00 O ATOM 296 OE2 GLU A 22 9.262 5.306 -20.015 1.00 0.00 O ATOM 0 H GLU A 22 6.826 7.578 -16.507 1.00 0.00 H new ATOM 0 HA GLU A 22 6.883 5.083 -15.208 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.052 4.385 -17.333 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.518 5.198 -17.568 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.699 7.308 -18.084 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.242 6.524 -17.809 1.00 0.00 H new ATOM 303 N GLY A 23 9.105 4.673 -14.270 1.00 0.00 N ATOM 304 CA GLY A 23 10.389 4.449 -13.646 1.00 0.00 C ATOM 305 C GLY A 23 10.644 5.414 -12.509 1.00 0.00 C ATOM 306 O GLY A 23 11.778 5.566 -12.054 1.00 0.00 O ATOM 0 H GLY A 23 8.367 4.038 -13.966 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.436 3.427 -13.271 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.177 4.552 -14.392 1.00 0.00 H new ATOM 310 N SER A 24 9.590 6.080 -12.056 1.00 0.00 N ATOM 311 CA SER A 24 9.719 7.057 -10.987 1.00 0.00 C ATOM 312 C SER A 24 8.686 6.816 -9.886 1.00 0.00 C ATOM 313 O SER A 24 8.418 7.700 -9.070 1.00 0.00 O ATOM 314 CB SER A 24 9.570 8.471 -11.551 1.00 0.00 C ATOM 315 OG SER A 24 10.462 8.682 -12.636 1.00 0.00 O ATOM 0 H SER A 24 8.641 5.961 -12.411 1.00 0.00 H new ATOM 0 HA SER A 24 10.710 6.948 -10.546 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.544 8.628 -11.883 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.766 9.202 -10.767 1.00 0.00 H new ATOM 0 HG SER A 24 10.348 9.592 -12.981 1.00 0.00 H new ATOM 321 N PHE A 25 8.099 5.626 -9.867 1.00 0.00 N ATOM 322 CA PHE A 25 7.157 5.270 -8.813 1.00 0.00 C ATOM 323 C PHE A 25 7.908 4.944 -7.537 1.00 0.00 C ATOM 324 O PHE A 25 8.795 4.087 -7.539 1.00 0.00 O ATOM 325 CB PHE A 25 6.314 4.055 -9.208 1.00 0.00 C ATOM 326 CG PHE A 25 5.057 3.896 -8.395 1.00 0.00 C ATOM 327 CD1 PHE A 25 3.886 4.532 -8.775 1.00 0.00 C ATOM 328 CD2 PHE A 25 5.046 3.114 -7.251 1.00 0.00 C ATOM 329 CE1 PHE A 25 2.729 4.391 -8.031 1.00 0.00 C ATOM 330 CE2 PHE A 25 3.892 2.969 -6.504 1.00 0.00 C ATOM 331 CZ PHE A 25 2.733 3.609 -6.893 1.00 0.00 C ATOM 0 H PHE A 25 8.256 4.897 -10.563 1.00 0.00 H new ATOM 0 HA PHE A 25 6.497 6.124 -8.657 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.046 4.138 -10.261 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.920 3.155 -9.103 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.877 5.146 -9.664 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.950 2.612 -6.939 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.823 4.892 -8.340 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.897 2.355 -5.616 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.831 3.499 -6.309 1.00 0.00 H new ATOM 341 N ASP A 26 7.572 5.623 -6.454 1.00 0.00 N ATOM 342 CA ASP A 26 8.125 5.263 -5.161 1.00 0.00 C ATOM 343 C ASP A 26 7.040 4.637 -4.297 1.00 0.00 C ATOM 344 O ASP A 26 6.256 5.338 -3.657 1.00 0.00 O ATOM 345 CB ASP A 26 8.743 6.471 -4.457 1.00 0.00 C ATOM 346 CG ASP A 26 9.555 6.061 -3.243 1.00 0.00 C ATOM 347 OD1 ASP A 26 10.697 5.587 -3.421 1.00 0.00 O ATOM 348 OD2 ASP A 26 9.058 6.194 -2.111 1.00 0.00 O ATOM 0 H ASP A 26 6.929 6.415 -6.443 1.00 0.00 H new ATOM 0 HA ASP A 26 8.923 4.538 -5.320 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.382 7.011 -5.156 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.953 7.157 -4.151 1.00 0.00 H new ATOM 353 N HIS A 27 6.982 3.306 -4.319 1.00 0.00 N ATOM 354 CA HIS A 27 5.973 2.554 -3.563 1.00 0.00 C ATOM 355 C HIS A 27 5.974 2.891 -2.074 1.00 0.00 C ATOM 356 O HIS A 27 4.955 2.752 -1.394 1.00 0.00 O ATOM 357 CB HIS A 27 6.147 1.040 -3.756 1.00 0.00 C ATOM 358 CG HIS A 27 7.511 0.497 -3.432 1.00 0.00 C ATOM 359 ND1 HIS A 27 8.365 -0.006 -4.389 1.00 0.00 N ATOM 360 CD2 HIS A 27 8.149 0.341 -2.248 1.00 0.00 C ATOM 361 CE1 HIS A 27 9.464 -0.451 -3.807 1.00 0.00 C ATOM 362 NE2 HIS A 27 9.356 -0.251 -2.511 1.00 0.00 N ATOM 0 H HIS A 27 7.624 2.721 -4.854 1.00 0.00 H new ATOM 0 HA HIS A 27 5.007 2.858 -3.966 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.414 0.526 -3.135 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.915 0.795 -4.792 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.776 0.630 -1.277 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.307 -0.902 -4.309 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.059 -0.497 -1.814 1.00 0.00 H new ATOM 371 N LYS A 28 7.107 3.330 -1.575 1.00 0.00 N ATOM 372 CA LYS A 28 7.227 3.692 -0.178 1.00 0.00 C ATOM 373 C LYS A 28 6.503 5.001 0.083 1.00 0.00 C ATOM 374 O LYS A 28 5.681 5.091 0.995 1.00 0.00 O ATOM 375 CB LYS A 28 8.699 3.813 0.178 1.00 0.00 C ATOM 376 CG LYS A 28 8.969 4.121 1.643 1.00 0.00 C ATOM 377 CD LYS A 28 10.452 4.017 1.977 1.00 0.00 C ATOM 378 CE LYS A 28 11.276 5.070 1.251 1.00 0.00 C ATOM 379 NZ LYS A 28 10.939 6.446 1.696 1.00 0.00 N ATOM 0 H LYS A 28 7.963 3.446 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 28 6.771 2.922 0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.201 2.881 -0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.145 4.598 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.613 5.125 1.875 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.405 3.430 2.270 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.590 4.127 3.053 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.815 3.025 1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.336 4.883 1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.108 4.985 0.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.652 7.112 1.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.002 6.709 1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.927 6.482 2.735 1.00 0.00 H new ATOM 393 N ALA A 29 6.808 6.007 -0.732 1.00 0.00 N ATOM 394 CA ALA A 29 6.111 7.281 -0.680 1.00 0.00 C ATOM 395 C ALA A 29 4.615 7.055 -0.762 1.00 0.00 C ATOM 396 O ALA A 29 3.847 7.701 -0.068 1.00 0.00 O ATOM 397 CB ALA A 29 6.565 8.193 -1.808 1.00 0.00 C ATOM 0 H ALA A 29 7.540 5.960 -1.441 1.00 0.00 H new ATOM 0 HA ALA A 29 6.349 7.766 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.029 9.140 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.636 8.376 -1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.356 7.718 -2.766 1.00 0.00 H new ATOM 403 N PHE A 30 4.218 6.104 -1.594 1.00 0.00 N ATOM 404 CA PHE A 30 2.817 5.751 -1.750 1.00 0.00 C ATOM 405 C PHE A 30 2.172 5.409 -0.402 1.00 0.00 C ATOM 406 O PHE A 30 1.188 6.035 -0.012 1.00 0.00 O ATOM 407 CB PHE A 30 2.686 4.575 -2.725 1.00 0.00 C ATOM 408 CG PHE A 30 1.274 4.112 -2.947 1.00 0.00 C ATOM 409 CD1 PHE A 30 0.416 4.829 -3.764 1.00 0.00 C ATOM 410 CD2 PHE A 30 0.807 2.957 -2.340 1.00 0.00 C ATOM 411 CE1 PHE A 30 -0.881 4.404 -3.972 1.00 0.00 C ATOM 412 CE2 PHE A 30 -0.489 2.527 -2.545 1.00 0.00 C ATOM 413 CZ PHE A 30 -1.334 3.252 -3.361 1.00 0.00 C ATOM 0 H PHE A 30 4.854 5.559 -2.176 1.00 0.00 H new ATOM 0 HA PHE A 30 2.288 6.614 -2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.117 4.863 -3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.276 3.739 -2.349 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.766 5.731 -4.244 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.464 2.387 -1.700 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.540 4.972 -4.612 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.841 1.625 -2.068 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.349 2.918 -3.521 1.00 0.00 H new ATOM 423 N PHE A 31 2.742 4.442 0.325 1.00 0.00 N ATOM 424 CA PHE A 31 2.132 3.987 1.579 1.00 0.00 C ATOM 425 C PHE A 31 2.162 5.073 2.636 1.00 0.00 C ATOM 426 O PHE A 31 1.217 5.243 3.404 1.00 0.00 O ATOM 427 CB PHE A 31 2.791 2.687 2.109 1.00 0.00 C ATOM 428 CG PHE A 31 4.154 2.777 2.758 1.00 0.00 C ATOM 429 CD1 PHE A 31 4.352 3.443 3.954 1.00 0.00 C ATOM 430 CD2 PHE A 31 5.233 2.132 2.176 1.00 0.00 C ATOM 431 CE1 PHE A 31 5.597 3.480 4.548 1.00 0.00 C ATOM 432 CE2 PHE A 31 6.478 2.157 2.769 1.00 0.00 C ATOM 433 CZ PHE A 31 6.661 2.833 3.957 1.00 0.00 C ATOM 0 H PHE A 31 3.609 3.967 0.073 1.00 0.00 H new ATOM 0 HA PHE A 31 1.090 3.759 1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.109 2.242 2.833 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.868 1.991 1.274 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.520 3.941 4.430 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.097 1.602 1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.738 4.016 5.475 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.309 1.648 2.303 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.635 2.855 4.423 1.00 0.00 H new ATOM 443 N THR A 32 3.238 5.814 2.651 1.00 0.00 N ATOM 444 CA THR A 32 3.515 6.726 3.730 1.00 0.00 C ATOM 445 C THR A 32 2.852 8.088 3.512 1.00 0.00 C ATOM 446 O THR A 32 2.629 8.846 4.457 1.00 0.00 O ATOM 447 CB THR A 32 5.037 6.819 3.915 1.00 0.00 C ATOM 448 OG1 THR A 32 5.367 7.463 5.153 1.00 0.00 O ATOM 449 CG2 THR A 32 5.705 7.554 2.763 1.00 0.00 C ATOM 0 H THR A 32 3.946 5.803 1.917 1.00 0.00 H new ATOM 0 HA THR A 32 3.078 6.346 4.654 1.00 0.00 H new ATOM 0 HB THR A 32 5.414 5.796 3.932 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.341 7.509 5.248 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.781 7.597 2.934 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.507 7.026 1.830 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.307 8.567 2.698 1.00 0.00 H new ATOM 457 N LYS A 33 2.521 8.376 2.264 1.00 0.00 N ATOM 458 CA LYS A 33 1.875 9.627 1.904 1.00 0.00 C ATOM 459 C LYS A 33 0.369 9.544 2.117 1.00 0.00 C ATOM 460 O LYS A 33 -0.262 10.511 2.537 1.00 0.00 O ATOM 461 CB LYS A 33 2.187 9.942 0.445 1.00 0.00 C ATOM 462 CG LYS A 33 1.653 11.271 -0.055 1.00 0.00 C ATOM 463 CD LYS A 33 2.123 11.542 -1.475 1.00 0.00 C ATOM 464 CE LYS A 33 3.633 11.726 -1.532 1.00 0.00 C ATOM 465 NZ LYS A 33 4.106 12.085 -2.893 1.00 0.00 N ATOM 0 H LYS A 33 2.692 7.752 1.475 1.00 0.00 H new ATOM 0 HA LYS A 33 2.256 10.423 2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.269 9.929 0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.778 9.146 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.563 11.266 -0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.988 12.073 0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.831 10.714 -2.121 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.631 12.436 -1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.929 12.505 -0.830 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.121 10.806 -1.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.140 12.200 -2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.848 11.330 -3.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.662 12.977 -3.191 1.00 0.00 H new ATOM 479 N VAL A 34 -0.206 8.384 1.823 1.00 0.00 N ATOM 480 CA VAL A 34 -1.628 8.188 1.958 1.00 0.00 C ATOM 481 C VAL A 34 -2.002 7.782 3.383 1.00 0.00 C ATOM 482 O VAL A 34 -3.180 7.777 3.748 1.00 0.00 O ATOM 483 CB VAL A 34 -2.113 7.118 0.969 1.00 0.00 C ATOM 484 CG1 VAL A 34 -1.644 7.438 -0.438 1.00 0.00 C ATOM 485 CG2 VAL A 34 -1.651 5.731 1.384 1.00 0.00 C ATOM 0 H VAL A 34 0.302 7.565 1.488 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.117 9.136 1.734 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.203 7.124 0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.998 6.668 -1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.042 8.406 -0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.555 7.470 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.011 4.997 0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.562 5.705 1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.048 5.495 2.371 1.00 0.00 H new ATOM 495 N GLY A 35 -0.994 7.445 4.178 1.00 0.00 N ATOM 496 CA GLY A 35 -1.228 7.044 5.552 1.00 0.00 C ATOM 497 C GLY A 35 -1.589 5.577 5.667 1.00 0.00 C ATOM 498 O GLY A 35 -2.285 5.167 6.594 1.00 0.00 O ATOM 0 H GLY A 35 -0.014 7.442 3.894 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.335 7.244 6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.032 7.648 5.973 1.00 0.00 H new ATOM 502 N LEU A 36 -1.098 4.775 4.732 1.00 0.00 N ATOM 503 CA LEU A 36 -1.458 3.366 4.667 1.00 0.00 C ATOM 504 C LEU A 36 -0.634 2.546 5.659 1.00 0.00 C ATOM 505 O LEU A 36 -0.996 1.422 5.999 1.00 0.00 O ATOM 506 CB LEU A 36 -1.247 2.837 3.247 1.00 0.00 C ATOM 507 CG LEU A 36 -2.077 1.609 2.870 1.00 0.00 C ATOM 508 CD1 LEU A 36 -3.561 1.944 2.867 1.00 0.00 C ATOM 509 CD2 LEU A 36 -1.651 1.083 1.508 1.00 0.00 C ATOM 0 H LEU A 36 -0.448 5.077 4.007 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.510 3.269 4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.474 3.637 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.192 2.593 3.122 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.902 0.833 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.134 1.057 2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.860 2.280 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.754 2.735 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.250 0.209 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.800 1.858 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.598 0.805 1.539 1.00 0.00 H new ATOM 521 N ALA A 37 0.464 3.121 6.137 1.00 0.00 N ATOM 522 CA ALA A 37 1.370 2.412 7.034 1.00 0.00 C ATOM 523 C ALA A 37 0.848 2.407 8.463 1.00 0.00 C ATOM 524 O ALA A 37 1.405 1.738 9.334 1.00 0.00 O ATOM 525 CB ALA A 37 2.763 3.018 6.970 1.00 0.00 C ATOM 0 H ALA A 37 0.748 4.076 5.919 1.00 0.00 H new ATOM 0 HA ALA A 37 1.426 1.375 6.702 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.426 2.477 7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.145 2.946 5.952 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.718 4.066 7.267 1.00 0.00 H new ATOM 531 N ALA A 38 -0.217 3.154 8.703 1.00 0.00 N ATOM 532 CA ALA A 38 -0.840 3.189 10.014 1.00 0.00 C ATOM 533 C ALA A 38 -2.210 2.524 9.975 1.00 0.00 C ATOM 534 O ALA A 38 -3.116 2.893 10.722 1.00 0.00 O ATOM 535 CB ALA A 38 -0.956 4.623 10.508 1.00 0.00 C ATOM 0 H ALA A 38 -0.668 3.745 8.005 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.211 2.634 10.709 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.425 4.632 11.492 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.038 5.066 10.576 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.564 5.200 9.811 1.00 0.00 H new ATOM 541 N LYS A 39 -2.358 1.544 9.093 1.00 0.00 N ATOM 542 CA LYS A 39 -3.619 0.834 8.944 1.00 0.00 C ATOM 543 C LYS A 39 -3.617 -0.448 9.760 1.00 0.00 C ATOM 544 O LYS A 39 -2.645 -1.203 9.746 1.00 0.00 O ATOM 545 CB LYS A 39 -3.888 0.514 7.470 1.00 0.00 C ATOM 546 CG LYS A 39 -4.055 1.752 6.600 1.00 0.00 C ATOM 547 CD LYS A 39 -5.059 2.730 7.196 1.00 0.00 C ATOM 548 CE LYS A 39 -5.186 3.989 6.354 1.00 0.00 C ATOM 549 NZ LYS A 39 -6.048 5.009 7.009 1.00 0.00 N ATOM 0 H LYS A 39 -1.618 1.223 8.469 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.414 1.482 9.314 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.065 -0.086 7.081 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.789 -0.096 7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.091 2.247 6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.384 1.455 5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.033 2.247 7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.750 2.998 8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.196 4.409 6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.602 3.734 5.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.934 5.111 6.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.264 4.709 7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.550 5.922 7.031 1.00 0.00 H new ATOM 563 N SER A 40 -4.706 -0.676 10.478 1.00 0.00 N ATOM 564 CA SER A 40 -4.867 -1.886 11.266 1.00 0.00 C ATOM 565 C SER A 40 -5.139 -3.074 10.345 1.00 0.00 C ATOM 566 O SER A 40 -5.527 -2.873 9.193 1.00 0.00 O ATOM 567 CB SER A 40 -6.021 -1.707 12.258 1.00 0.00 C ATOM 568 OG SER A 40 -5.844 -0.536 13.038 1.00 0.00 O ATOM 0 H SER A 40 -5.496 -0.033 10.530 1.00 0.00 H new ATOM 0 HA SER A 40 -3.950 -2.078 11.823 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.965 -1.648 11.716 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.082 -2.577 12.911 1.00 0.00 H new ATOM 0 HG SER A 40 -6.594 -0.442 13.662 1.00 0.00 H new ATOM 574 N PRO A 41 -4.918 -4.316 10.816 1.00 0.00 N ATOM 575 CA PRO A 41 -5.161 -5.527 10.018 1.00 0.00 C ATOM 576 C PRO A 41 -6.481 -5.484 9.243 1.00 0.00 C ATOM 577 O PRO A 41 -6.515 -5.792 8.054 1.00 0.00 O ATOM 578 CB PRO A 41 -5.190 -6.627 11.074 1.00 0.00 C ATOM 579 CG PRO A 41 -4.264 -6.146 12.138 1.00 0.00 C ATOM 580 CD PRO A 41 -4.384 -4.644 12.156 1.00 0.00 C ATOM 0 HA PRO A 41 -4.403 -5.665 9.247 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.197 -6.778 11.463 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.861 -7.581 10.663 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.531 -6.569 13.106 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.239 -6.452 11.929 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.053 -4.306 12.947 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.419 -4.168 12.330 1.00 0.00 H new ATOM 588 N ALA A 42 -7.554 -5.075 9.916 1.00 0.00 N ATOM 589 CA ALA A 42 -8.875 -4.989 9.294 1.00 0.00 C ATOM 590 C ALA A 42 -8.882 -4.008 8.118 1.00 0.00 C ATOM 591 O ALA A 42 -9.423 -4.306 7.048 1.00 0.00 O ATOM 592 CB ALA A 42 -9.913 -4.582 10.327 1.00 0.00 C ATOM 0 H ALA A 42 -7.535 -4.796 10.897 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.125 -5.975 8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.893 -4.521 9.854 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.941 -5.323 11.126 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.650 -3.610 10.744 1.00 0.00 H new ATOM 598 N ASP A 43 -8.273 -2.845 8.318 1.00 0.00 N ATOM 599 CA ASP A 43 -8.188 -1.830 7.273 1.00 0.00 C ATOM 600 C ASP A 43 -7.353 -2.359 6.122 1.00 0.00 C ATOM 601 O ASP A 43 -7.714 -2.228 4.960 1.00 0.00 O ATOM 602 CB ASP A 43 -7.553 -0.542 7.810 1.00 0.00 C ATOM 603 CG ASP A 43 -8.321 0.069 8.964 1.00 0.00 C ATOM 604 OD1 ASP A 43 -8.165 -0.414 10.104 1.00 0.00 O ATOM 605 OD2 ASP A 43 -9.062 1.048 8.743 1.00 0.00 O ATOM 0 H ASP A 43 -7.829 -2.580 9.197 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.197 -1.603 6.930 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.534 -0.755 8.133 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.486 0.186 7.002 1.00 0.00 H new ATOM 610 N ILE A 44 -6.237 -2.978 6.467 1.00 0.00 N ATOM 611 CA ILE A 44 -5.342 -3.569 5.487 1.00 0.00 C ATOM 612 C ILE A 44 -6.017 -4.728 4.747 1.00 0.00 C ATOM 613 O ILE A 44 -5.724 -4.985 3.582 1.00 0.00 O ATOM 614 CB ILE A 44 -4.037 -4.036 6.173 1.00 0.00 C ATOM 615 CG1 ILE A 44 -3.120 -2.840 6.434 1.00 0.00 C ATOM 616 CG2 ILE A 44 -3.310 -5.104 5.362 1.00 0.00 C ATOM 617 CD1 ILE A 44 -2.702 -2.096 5.181 1.00 0.00 C ATOM 0 H ILE A 44 -5.926 -3.085 7.433 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.094 -2.809 4.746 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.312 -4.490 7.125 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.628 -2.146 7.104 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.226 -3.187 6.953 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.400 -5.400 5.884 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.958 -5.972 5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.052 -4.704 4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.054 -1.263 5.452 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.164 -2.774 4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.587 -1.716 4.671 1.00 0.00 H new ATOM 629 N LYS A 45 -6.941 -5.404 5.417 1.00 0.00 N ATOM 630 CA LYS A 45 -7.674 -6.501 4.803 1.00 0.00 C ATOM 631 C LYS A 45 -8.541 -5.989 3.656 1.00 0.00 C ATOM 632 O LYS A 45 -8.610 -6.600 2.590 1.00 0.00 O ATOM 633 CB LYS A 45 -8.543 -7.218 5.838 1.00 0.00 C ATOM 634 CG LYS A 45 -9.077 -8.551 5.348 1.00 0.00 C ATOM 635 CD LYS A 45 -7.952 -9.553 5.140 1.00 0.00 C ATOM 636 CE LYS A 45 -8.460 -10.855 4.544 1.00 0.00 C ATOM 637 NZ LYS A 45 -9.517 -11.482 5.379 1.00 0.00 N ATOM 0 H LYS A 45 -7.200 -5.212 6.385 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.950 -7.212 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.959 -7.379 6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.381 -6.575 6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.791 -8.947 6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.617 -8.407 4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.198 -9.122 4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.464 -9.755 6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.853 -10.666 3.545 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.628 -11.550 4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.724 -12.435 5.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.188 -11.548 6.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.379 -10.902 5.340 1.00 0.00 H new ATOM 651 N LYS A 46 -9.196 -4.856 3.857 1.00 0.00 N ATOM 652 CA LYS A 46 -9.987 -4.280 2.784 1.00 0.00 C ATOM 653 C LYS A 46 -9.053 -3.715 1.717 1.00 0.00 C ATOM 654 O LYS A 46 -9.401 -3.638 0.541 1.00 0.00 O ATOM 655 CB LYS A 46 -10.988 -3.233 3.317 1.00 0.00 C ATOM 656 CG LYS A 46 -10.390 -1.924 3.826 1.00 0.00 C ATOM 657 CD LYS A 46 -10.142 -0.920 2.702 1.00 0.00 C ATOM 658 CE LYS A 46 -11.392 -0.705 1.857 1.00 0.00 C ATOM 659 NZ LYS A 46 -11.260 0.452 0.934 1.00 0.00 N ATOM 0 H LYS A 46 -9.197 -4.329 4.730 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.594 -5.059 2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.695 -2.999 2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.559 -3.687 4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.062 -1.483 4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.450 -2.132 4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.821 0.031 3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.330 -1.276 2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.596 -1.606 1.279 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.248 -0.547 2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.944 0.356 0.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.448 1.333 1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.296 0.478 0.545 1.00 0.00 H new ATOM 673 N VAL A 47 -7.844 -3.357 2.132 1.00 0.00 N ATOM 674 CA VAL A 47 -6.815 -2.941 1.193 1.00 0.00 C ATOM 675 C VAL A 47 -6.370 -4.137 0.346 1.00 0.00 C ATOM 676 O VAL A 47 -6.006 -3.977 -0.813 1.00 0.00 O ATOM 677 CB VAL A 47 -5.607 -2.298 1.909 1.00 0.00 C ATOM 678 CG1 VAL A 47 -4.527 -1.910 0.914 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.051 -1.078 2.700 1.00 0.00 C ATOM 0 H VAL A 47 -7.555 -3.347 3.110 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.242 -2.179 0.541 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.190 -3.035 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.688 -1.460 1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.185 -2.798 0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.931 -1.193 0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.189 -0.635 3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.494 -0.347 2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.789 -1.376 3.445 1.00 0.00 H new ATOM 689 N PHE A 48 -6.416 -5.338 0.926 1.00 0.00 N ATOM 690 CA PHE A 48 -6.233 -6.566 0.149 1.00 0.00 C ATOM 691 C PHE A 48 -7.217 -6.585 -1.011 1.00 0.00 C ATOM 692 O PHE A 48 -6.847 -6.883 -2.148 1.00 0.00 O ATOM 693 CB PHE A 48 -6.391 -7.822 1.036 1.00 0.00 C ATOM 694 CG PHE A 48 -7.338 -8.887 0.506 1.00 0.00 C ATOM 695 CD1 PHE A 48 -7.089 -9.548 -0.693 1.00 0.00 C ATOM 696 CD2 PHE A 48 -8.473 -9.233 1.222 1.00 0.00 C ATOM 697 CE1 PHE A 48 -7.950 -10.522 -1.159 1.00 0.00 C ATOM 698 CE2 PHE A 48 -9.337 -10.205 0.758 1.00 0.00 C ATOM 699 CZ PHE A 48 -9.077 -10.850 -0.433 1.00 0.00 C ATOM 0 H PHE A 48 -6.577 -5.486 1.922 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.218 -6.582 -0.248 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.408 -8.272 1.175 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.740 -7.508 2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.210 -9.296 -1.267 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.685 -8.735 2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.742 -11.027 -2.091 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -10.218 -10.461 1.329 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.753 -11.610 -0.796 1.00 0.00 H new ATOM 709 N GLU A 49 -8.463 -6.245 -0.718 1.00 0.00 N ATOM 710 CA GLU A 49 -9.494 -6.179 -1.745 1.00 0.00 C ATOM 711 C GLU A 49 -9.124 -5.154 -2.818 1.00 0.00 C ATOM 712 O GLU A 49 -9.591 -5.237 -3.954 1.00 0.00 O ATOM 713 CB GLU A 49 -10.845 -5.833 -1.117 1.00 0.00 C ATOM 714 CG GLU A 49 -11.266 -6.795 -0.017 1.00 0.00 C ATOM 715 CD GLU A 49 -12.589 -6.417 0.615 1.00 0.00 C ATOM 716 OE1 GLU A 49 -12.599 -5.564 1.522 1.00 0.00 O ATOM 717 OE2 GLU A 49 -13.629 -6.977 0.207 1.00 0.00 O ATOM 0 H GLU A 49 -8.785 -6.011 0.221 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.570 -7.157 -2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.799 -4.824 -0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.608 -5.827 -1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.339 -7.802 -0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.495 -6.821 0.753 1.00 0.00 H new ATOM 724 N ILE A 50 -8.300 -4.179 -2.442 1.00 0.00 N ATOM 725 CA ILE A 50 -7.771 -3.204 -3.389 1.00 0.00 C ATOM 726 C ILE A 50 -6.875 -3.868 -4.447 1.00 0.00 C ATOM 727 O ILE A 50 -7.121 -3.708 -5.644 1.00 0.00 O ATOM 728 CB ILE A 50 -6.988 -2.085 -2.655 1.00 0.00 C ATOM 729 CG1 ILE A 50 -7.920 -1.079 -1.966 1.00 0.00 C ATOM 730 CG2 ILE A 50 -6.063 -1.356 -3.607 1.00 0.00 C ATOM 731 CD1 ILE A 50 -9.288 -1.608 -1.614 1.00 0.00 C ATOM 0 H ILE A 50 -7.983 -4.044 -1.482 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.624 -2.758 -3.900 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.395 -2.576 -1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.438 -0.727 -1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.039 -0.213 -2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.526 -0.576 -3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.349 -2.061 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.648 -0.905 -4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.869 -0.822 -1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.798 -1.932 -2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.187 -2.454 -0.934 1.00 0.00 H new ATOM 743 N ILE A 51 -5.848 -4.617 -4.015 1.00 0.00 N ATOM 744 CA ILE A 51 -4.957 -5.285 -4.974 1.00 0.00 C ATOM 745 C ILE A 51 -5.699 -6.424 -5.654 1.00 0.00 C ATOM 746 O ILE A 51 -5.423 -6.759 -6.808 1.00 0.00 O ATOM 747 CB ILE A 51 -3.593 -5.804 -4.385 1.00 0.00 C ATOM 748 CG1 ILE A 51 -3.739 -6.439 -2.980 1.00 0.00 C ATOM 749 CG2 ILE A 51 -2.568 -4.679 -4.363 1.00 0.00 C ATOM 750 CD1 ILE A 51 -3.714 -5.443 -1.835 1.00 0.00 C ATOM 0 H ILE A 51 -5.618 -4.773 -3.033 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.676 -4.513 -5.690 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.246 -6.599 -5.045 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.676 -6.995 -2.942 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.935 -7.160 -2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.629 -5.051 -3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.403 -4.317 -5.378 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.937 -3.863 -3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.822 -5.973 -0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.767 -4.904 -1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.535 -4.736 -1.950 1.00 0.00 H new ATOM 762 N ASP A 52 -6.668 -7.000 -4.951 1.00 0.00 N ATOM 763 CA ASP A 52 -7.525 -8.014 -5.548 1.00 0.00 C ATOM 764 C ASP A 52 -8.624 -7.322 -6.361 1.00 0.00 C ATOM 765 O ASP A 52 -9.805 -7.408 -6.025 1.00 0.00 O ATOM 766 CB ASP A 52 -8.170 -8.910 -4.479 1.00 0.00 C ATOM 767 CG ASP A 52 -8.671 -10.234 -5.046 1.00 0.00 C ATOM 768 OD1 ASP A 52 -8.187 -10.663 -6.125 1.00 0.00 O ATOM 769 OD2 ASP A 52 -9.544 -10.865 -4.423 1.00 0.00 O ATOM 0 H ASP A 52 -6.877 -6.784 -3.976 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.912 -8.646 -6.191 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.444 -9.108 -3.691 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.003 -8.378 -4.019 1.00 0.00 H new ATOM 774 N GLN A 53 -8.228 -6.642 -7.436 1.00 0.00 N ATOM 775 CA GLN A 53 -9.149 -5.808 -8.213 1.00 0.00 C ATOM 776 C GLN A 53 -10.178 -6.675 -8.932 1.00 0.00 C ATOM 777 O GLN A 53 -11.323 -6.275 -9.138 1.00 0.00 O ATOM 778 CB GLN A 53 -8.352 -4.953 -9.210 1.00 0.00 C ATOM 779 CG GLN A 53 -9.187 -3.938 -9.985 1.00 0.00 C ATOM 780 CD GLN A 53 -9.816 -4.499 -11.248 1.00 0.00 C ATOM 781 OE1 GLN A 53 -10.903 -4.084 -11.644 1.00 0.00 O ATOM 782 NE2 GLN A 53 -9.128 -5.423 -11.905 1.00 0.00 N ATOM 0 H GLN A 53 -7.272 -6.651 -7.791 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.689 -5.144 -7.538 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.569 -4.422 -8.669 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.856 -5.614 -9.921 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.976 -3.558 -9.335 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.556 -3.089 -10.250 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.229 -5.742 -11.544 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.498 -5.815 -12.771 1.00 0.00 H new ATOM 791 N ASP A 54 -9.751 -7.864 -9.293 1.00 0.00 N ATOM 792 CA ASP A 54 -10.603 -8.856 -9.936 1.00 0.00 C ATOM 793 C ASP A 54 -11.364 -9.666 -8.879 1.00 0.00 C ATOM 794 O ASP A 54 -12.311 -10.383 -9.202 1.00 0.00 O ATOM 795 CB ASP A 54 -9.734 -9.759 -10.822 1.00 0.00 C ATOM 796 CG ASP A 54 -10.416 -11.042 -11.240 1.00 0.00 C ATOM 797 OD1 ASP A 54 -11.293 -11.001 -12.127 1.00 0.00 O ATOM 798 OD2 ASP A 54 -10.068 -12.104 -10.686 1.00 0.00 O ATOM 0 H ASP A 54 -8.792 -8.179 -9.149 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.345 -8.362 -10.563 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.444 -9.205 -11.715 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.817 -10.004 -10.286 1.00 0.00 H new ATOM 803 N LYS A 55 -10.969 -9.513 -7.616 1.00 0.00 N ATOM 804 CA LYS A 55 -11.762 -10.008 -6.481 1.00 0.00 C ATOM 805 C LYS A 55 -12.042 -11.508 -6.555 1.00 0.00 C ATOM 806 O LYS A 55 -13.198 -11.926 -6.683 1.00 0.00 O ATOM 807 CB LYS A 55 -13.079 -9.234 -6.388 1.00 0.00 C ATOM 808 CG LYS A 55 -13.184 -8.353 -5.158 1.00 0.00 C ATOM 809 CD LYS A 55 -13.222 -9.184 -3.888 1.00 0.00 C ATOM 810 CE LYS A 55 -13.304 -8.307 -2.655 1.00 0.00 C ATOM 811 NZ LYS A 55 -13.429 -9.107 -1.410 1.00 0.00 N ATOM 0 H LYS A 55 -10.101 -9.049 -7.348 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.166 -9.843 -5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.189 -8.615 -7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.907 -9.943 -6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.335 -7.670 -5.123 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.083 -7.741 -5.222 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.080 -9.855 -3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.330 -9.809 -3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.414 -7.681 -2.596 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.159 -7.637 -2.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.718 -8.487 -0.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.144 -9.850 -1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.513 -9.545 -1.185 1.00 0.00 H new ATOM 825 N SER A 56 -10.987 -12.311 -6.469 1.00 0.00 N ATOM 826 CA SER A 56 -11.123 -13.759 -6.561 1.00 0.00 C ATOM 827 C SER A 56 -10.227 -14.460 -5.540 1.00 0.00 C ATOM 828 O SER A 56 -9.797 -15.595 -5.756 1.00 0.00 O ATOM 829 CB SER A 56 -10.778 -14.232 -7.973 1.00 0.00 C ATOM 830 OG SER A 56 -11.431 -13.430 -8.944 1.00 0.00 O ATOM 0 H SER A 56 -10.030 -11.984 -6.336 1.00 0.00 H new ATOM 0 HA SER A 56 -12.159 -14.017 -6.341 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.699 -14.188 -8.123 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.074 -15.274 -8.096 1.00 0.00 H new ATOM 0 HG SER A 56 -10.802 -13.210 -9.663 1.00 0.00 H new ATOM 836 N ASP A 57 -9.923 -13.755 -4.447 1.00 0.00 N ATOM 837 CA ASP A 57 -9.138 -14.301 -3.324 1.00 0.00 C ATOM 838 C ASP A 57 -7.658 -14.456 -3.678 1.00 0.00 C ATOM 839 O ASP A 57 -6.848 -14.842 -2.834 1.00 0.00 O ATOM 840 CB ASP A 57 -9.698 -15.649 -2.842 1.00 0.00 C ATOM 841 CG ASP A 57 -11.014 -15.521 -2.101 1.00 0.00 C ATOM 842 OD1 ASP A 57 -12.078 -15.517 -2.756 1.00 0.00 O ATOM 843 OD2 ASP A 57 -10.995 -15.447 -0.854 1.00 0.00 O ATOM 0 H ASP A 57 -10.213 -12.787 -4.311 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.223 -13.576 -2.514 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.835 -16.306 -3.701 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.967 -16.126 -2.190 1.00 0.00 H new ATOM 848 N PHE A 58 -7.305 -14.144 -4.916 1.00 0.00 N ATOM 849 CA PHE A 58 -5.912 -14.150 -5.350 1.00 0.00 C ATOM 850 C PHE A 58 -5.614 -12.859 -6.085 1.00 0.00 C ATOM 851 O PHE A 58 -6.411 -12.415 -6.911 1.00 0.00 O ATOM 852 CB PHE A 58 -5.608 -15.354 -6.249 1.00 0.00 C ATOM 853 CG PHE A 58 -5.696 -16.675 -5.540 1.00 0.00 C ATOM 854 CD1 PHE A 58 -4.602 -17.182 -4.858 1.00 0.00 C ATOM 855 CD2 PHE A 58 -6.873 -17.404 -5.549 1.00 0.00 C ATOM 856 CE1 PHE A 58 -4.681 -18.394 -4.201 1.00 0.00 C ATOM 857 CE2 PHE A 58 -6.957 -18.616 -4.893 1.00 0.00 C ATOM 858 CZ PHE A 58 -5.860 -19.112 -4.218 1.00 0.00 C ATOM 0 H PHE A 58 -7.969 -13.881 -5.645 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.275 -14.231 -4.469 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.304 -15.355 -7.088 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.607 -15.241 -6.666 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.678 -16.624 -4.840 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.735 -17.020 -6.075 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.821 -18.780 -3.674 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.881 -19.176 -4.908 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.924 -20.060 -3.704 1.00 0.00 H new ATOM 868 N VAL A 59 -4.477 -12.263 -5.783 1.00 0.00 N ATOM 869 CA VAL A 59 -4.142 -10.934 -6.273 1.00 0.00 C ATOM 870 C VAL A 59 -2.997 -10.985 -7.284 1.00 0.00 C ATOM 871 O VAL A 59 -1.834 -10.921 -6.910 1.00 0.00 O ATOM 872 CB VAL A 59 -3.746 -10.034 -5.093 1.00 0.00 C ATOM 873 CG1 VAL A 59 -3.280 -8.690 -5.568 1.00 0.00 C ATOM 874 CG2 VAL A 59 -4.891 -9.895 -4.106 1.00 0.00 C ATOM 0 H VAL A 59 -3.759 -12.683 -5.193 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.020 -10.527 -6.774 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.913 -10.511 -4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.007 -8.076 -4.710 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.413 -8.814 -6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.081 -8.202 -6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.584 -9.253 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.752 -9.454 -4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.160 -10.878 -3.720 1.00 0.00 H new ATOM 884 N GLU A 60 -3.335 -11.077 -8.563 1.00 0.00 N ATOM 885 CA GLU A 60 -2.337 -11.298 -9.611 1.00 0.00 C ATOM 886 C GLU A 60 -1.823 -9.993 -10.233 1.00 0.00 C ATOM 887 O GLU A 60 -2.430 -8.940 -10.064 1.00 0.00 O ATOM 888 CB GLU A 60 -2.923 -12.204 -10.689 1.00 0.00 C ATOM 889 CG GLU A 60 -3.325 -13.569 -10.159 1.00 0.00 C ATOM 890 CD GLU A 60 -3.993 -14.430 -11.204 1.00 0.00 C ATOM 891 OE1 GLU A 60 -3.292 -14.912 -12.121 1.00 0.00 O ATOM 892 OE2 GLU A 60 -5.220 -14.638 -11.108 1.00 0.00 O ATOM 0 H GLU A 60 -4.293 -11.002 -8.904 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.477 -11.778 -9.144 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.795 -11.720 -11.129 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.192 -12.331 -11.487 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.440 -14.083 -9.783 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.002 -13.441 -9.314 1.00 0.00 H new ATOM 899 N GLU A 61 -0.710 -10.076 -10.959 1.00 0.00 N ATOM 900 CA GLU A 61 -0.083 -8.905 -11.587 1.00 0.00 C ATOM 901 C GLU A 61 -1.035 -8.183 -12.541 1.00 0.00 C ATOM 902 O GLU A 61 -1.252 -6.973 -12.416 1.00 0.00 O ATOM 903 CB GLU A 61 1.174 -9.335 -12.344 1.00 0.00 C ATOM 904 CG GLU A 61 1.843 -8.208 -13.114 1.00 0.00 C ATOM 905 CD GLU A 61 3.053 -8.667 -13.904 1.00 0.00 C ATOM 906 OE1 GLU A 61 3.233 -9.890 -14.079 1.00 0.00 O ATOM 907 OE2 GLU A 61 3.815 -7.803 -14.379 1.00 0.00 O ATOM 0 H GLU A 61 -0.216 -10.951 -11.131 1.00 0.00 H new ATOM 0 HA GLU A 61 0.179 -8.208 -10.791 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.889 -9.752 -11.635 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.913 -10.133 -13.040 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.119 -7.761 -13.796 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.146 -7.428 -12.415 1.00 0.00 H new ATOM 914 N ASP A 62 -1.602 -8.926 -13.490 1.00 0.00 N ATOM 915 CA ASP A 62 -2.523 -8.351 -14.473 1.00 0.00 C ATOM 916 C ASP A 62 -3.747 -7.771 -13.781 1.00 0.00 C ATOM 917 O ASP A 62 -4.457 -6.936 -14.339 1.00 0.00 O ATOM 918 CB ASP A 62 -2.955 -9.403 -15.501 1.00 0.00 C ATOM 919 CG ASP A 62 -1.852 -9.759 -16.478 1.00 0.00 C ATOM 920 OD1 ASP A 62 -0.903 -10.463 -16.080 1.00 0.00 O ATOM 921 OD2 ASP A 62 -1.936 -9.348 -17.656 1.00 0.00 O ATOM 0 H ASP A 62 -1.441 -9.927 -13.600 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.998 -7.551 -14.995 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.276 -10.304 -14.979 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.817 -9.031 -16.054 1.00 0.00 H new ATOM 926 N GLU A 63 -3.967 -8.216 -12.558 1.00 0.00 N ATOM 927 CA GLU A 63 -5.042 -7.717 -11.725 1.00 0.00 C ATOM 928 C GLU A 63 -4.636 -6.409 -11.056 1.00 0.00 C ATOM 929 O GLU A 63 -5.420 -5.458 -11.006 1.00 0.00 O ATOM 930 CB GLU A 63 -5.392 -8.773 -10.688 1.00 0.00 C ATOM 931 CG GLU A 63 -6.278 -8.286 -9.570 1.00 0.00 C ATOM 932 CD GLU A 63 -6.774 -9.431 -8.734 1.00 0.00 C ATOM 933 OE1 GLU A 63 -6.016 -10.352 -8.433 1.00 0.00 O ATOM 934 OE2 GLU A 63 -7.951 -9.469 -8.378 1.00 0.00 O ATOM 0 H GLU A 63 -3.401 -8.938 -12.113 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.919 -7.513 -12.340 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.886 -9.605 -11.189 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.469 -9.162 -10.259 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.726 -7.586 -8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.126 -7.741 -9.985 1.00 0.00 H new ATOM 941 N LEU A 64 -3.400 -6.362 -10.553 1.00 0.00 N ATOM 942 CA LEU A 64 -2.853 -5.147 -9.972 1.00 0.00 C ATOM 943 C LEU A 64 -2.820 -4.018 -10.986 1.00 0.00 C ATOM 944 O LEU A 64 -2.744 -2.852 -10.625 1.00 0.00 O ATOM 945 CB LEU A 64 -1.450 -5.370 -9.417 1.00 0.00 C ATOM 946 CG LEU A 64 -1.396 -5.799 -7.953 1.00 0.00 C ATOM 947 CD1 LEU A 64 -1.101 -7.283 -7.833 1.00 0.00 C ATOM 948 CD2 LEU A 64 -0.366 -4.973 -7.202 1.00 0.00 C ATOM 0 H LEU A 64 -2.762 -7.158 -10.539 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.513 -4.869 -9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.953 -6.129 -10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.880 -4.448 -9.531 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.373 -5.621 -7.503 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.068 -7.563 -6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.884 -7.851 -8.335 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.139 -7.501 -8.297 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.337 -5.288 -6.159 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.616 -5.118 -7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.637 -3.918 -7.255 1.00 0.00 H new ATOM 960 N LYS A 65 -2.875 -4.367 -12.253 1.00 0.00 N ATOM 961 CA LYS A 65 -2.881 -3.371 -13.305 1.00 0.00 C ATOM 962 C LYS A 65 -3.988 -2.341 -13.087 1.00 0.00 C ATOM 963 O LYS A 65 -3.762 -1.141 -13.221 1.00 0.00 O ATOM 964 CB LYS A 65 -3.048 -4.047 -14.664 1.00 0.00 C ATOM 965 CG LYS A 65 -1.861 -3.869 -15.596 1.00 0.00 C ATOM 966 CD LYS A 65 -0.546 -4.168 -14.897 1.00 0.00 C ATOM 967 CE LYS A 65 0.585 -4.306 -15.896 1.00 0.00 C ATOM 968 NZ LYS A 65 1.907 -4.443 -15.233 1.00 0.00 N ATOM 0 H LYS A 65 -2.916 -5.332 -12.581 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.926 -2.846 -13.281 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.218 -5.112 -14.509 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.940 -3.649 -15.149 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.973 -4.528 -16.457 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.847 -2.847 -15.976 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.316 -3.370 -14.191 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.639 -5.088 -14.319 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.405 -5.176 -16.527 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.597 -3.434 -16.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.663 -4.314 -15.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.999 -3.722 -14.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.986 -5.389 -14.809 1.00 0.00 H new ATOM 982 N LEU A 66 -5.186 -2.808 -12.760 1.00 0.00 N ATOM 983 CA LEU A 66 -6.311 -1.903 -12.556 1.00 0.00 C ATOM 984 C LEU A 66 -6.617 -1.680 -11.078 1.00 0.00 C ATOM 985 O LEU A 66 -7.584 -0.991 -10.743 1.00 0.00 O ATOM 986 CB LEU A 66 -7.560 -2.395 -13.293 1.00 0.00 C ATOM 987 CG LEU A 66 -7.408 -2.525 -14.813 1.00 0.00 C ATOM 988 CD1 LEU A 66 -6.497 -1.432 -15.361 1.00 0.00 C ATOM 989 CD2 LEU A 66 -6.894 -3.906 -15.187 1.00 0.00 C ATOM 0 H LEU A 66 -5.403 -3.796 -12.631 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.015 -0.942 -12.976 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.844 -3.366 -12.887 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.381 -1.710 -13.083 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.391 -2.400 -15.267 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.404 -1.544 -16.441 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.923 -0.455 -15.133 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.512 -1.515 -14.901 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.794 -3.976 -16.270 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.922 -4.071 -14.721 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.597 -4.663 -14.838 1.00 0.00 H new ATOM 1001 N PHE A 67 -5.798 -2.240 -10.187 1.00 0.00 N ATOM 1002 CA PHE A 67 -6.036 -2.073 -8.753 1.00 0.00 C ATOM 1003 C PHE A 67 -5.953 -0.596 -8.395 1.00 0.00 C ATOM 1004 O PHE A 67 -6.537 -0.145 -7.414 1.00 0.00 O ATOM 1005 CB PHE A 67 -5.063 -2.910 -7.898 1.00 0.00 C ATOM 1006 CG PHE A 67 -3.871 -2.172 -7.318 1.00 0.00 C ATOM 1007 CD1 PHE A 67 -3.995 -1.436 -6.151 1.00 0.00 C ATOM 1008 CD2 PHE A 67 -2.629 -2.241 -7.917 1.00 0.00 C ATOM 1009 CE1 PHE A 67 -2.910 -0.781 -5.601 1.00 0.00 C ATOM 1010 CE2 PHE A 67 -1.537 -1.594 -7.372 1.00 0.00 C ATOM 1011 CZ PHE A 67 -1.679 -0.862 -6.212 1.00 0.00 C ATOM 0 H PHE A 67 -4.981 -2.802 -10.425 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.036 -2.443 -8.528 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.625 -3.352 -7.075 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.692 -3.733 -8.509 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.956 -1.373 -5.663 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.509 -2.810 -8.827 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.027 -0.207 -4.694 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.573 -1.661 -7.854 1.00 0.00 H new ATOM 0 HZ PHE A 67 -0.827 -0.354 -5.784 1.00 0.00 H new ATOM 1021 N LEU A 68 -5.226 0.149 -9.215 1.00 0.00 N ATOM 1022 CA LEU A 68 -5.086 1.583 -9.038 1.00 0.00 C ATOM 1023 C LEU A 68 -6.441 2.257 -9.158 1.00 0.00 C ATOM 1024 O LEU A 68 -6.847 3.012 -8.277 1.00 0.00 O ATOM 1025 CB LEU A 68 -4.124 2.179 -10.076 1.00 0.00 C ATOM 1026 CG LEU A 68 -2.696 1.619 -10.091 1.00 0.00 C ATOM 1027 CD1 LEU A 68 -2.120 1.566 -8.686 1.00 0.00 C ATOM 1028 CD2 LEU A 68 -2.649 0.250 -10.755 1.00 0.00 C ATOM 0 H LEU A 68 -4.719 -0.224 -10.018 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.675 1.760 -8.044 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.557 2.033 -11.065 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.066 3.255 -9.909 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.078 2.294 -10.682 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.107 1.165 -8.723 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.098 2.571 -8.264 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.741 0.924 -8.062 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.624 -0.121 -10.751 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.288 -0.442 -10.207 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.001 0.332 -11.783 1.00 0.00 H new ATOM 1040 N GLN A 69 -7.150 1.948 -10.238 1.00 0.00 N ATOM 1041 CA GLN A 69 -8.467 2.521 -10.478 1.00 0.00 C ATOM 1042 C GLN A 69 -9.461 1.991 -9.452 1.00 0.00 C ATOM 1043 O GLN A 69 -10.550 2.535 -9.282 1.00 0.00 O ATOM 1044 CB GLN A 69 -8.951 2.200 -11.894 1.00 0.00 C ATOM 1045 CG GLN A 69 -7.959 2.581 -12.980 1.00 0.00 C ATOM 1046 CD GLN A 69 -8.556 2.494 -14.370 1.00 0.00 C ATOM 1047 OE1 GLN A 69 -9.100 3.469 -14.890 1.00 0.00 O ATOM 1048 NE2 GLN A 69 -8.468 1.324 -14.977 1.00 0.00 N ATOM 0 H GLN A 69 -6.833 1.303 -10.962 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.394 3.604 -10.379 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.160 1.133 -11.964 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.891 2.721 -12.074 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.605 3.597 -12.803 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.090 1.925 -12.920 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.009 0.541 -14.511 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.859 1.204 -15.911 1.00 0.00 H new ATOM 1057 N ASN A 70 -9.067 0.926 -8.767 1.00 0.00 N ATOM 1058 CA ASN A 70 -9.886 0.355 -7.705 1.00 0.00 C ATOM 1059 C ASN A 70 -9.650 1.129 -6.411 1.00 0.00 C ATOM 1060 O ASN A 70 -10.579 1.397 -5.649 1.00 0.00 O ATOM 1061 CB ASN A 70 -9.547 -1.128 -7.510 1.00 0.00 C ATOM 1062 CG ASN A 70 -10.462 -1.821 -6.517 1.00 0.00 C ATOM 1063 OD1 ASN A 70 -11.640 -1.480 -6.390 1.00 0.00 O ATOM 1064 ND2 ASN A 70 -9.929 -2.808 -5.815 1.00 0.00 N ATOM 0 H ASN A 70 -8.185 0.439 -8.927 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.938 0.431 -7.981 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.610 -1.639 -8.471 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.516 -1.217 -7.169 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.498 -3.318 -5.139 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.950 -3.059 -5.950 1.00 0.00 H new ATOM 1071 N PHE A 71 -8.395 1.504 -6.192 1.00 0.00 N ATOM 1072 CA PHE A 71 -8.002 2.284 -5.026 1.00 0.00 C ATOM 1073 C PHE A 71 -8.599 3.687 -5.115 1.00 0.00 C ATOM 1074 O PHE A 71 -9.161 4.200 -4.147 1.00 0.00 O ATOM 1075 CB PHE A 71 -6.472 2.376 -4.956 1.00 0.00 C ATOM 1076 CG PHE A 71 -5.897 2.253 -3.569 1.00 0.00 C ATOM 1077 CD1 PHE A 71 -6.626 2.630 -2.453 1.00 0.00 C ATOM 1078 CD2 PHE A 71 -4.621 1.748 -3.388 1.00 0.00 C ATOM 1079 CE1 PHE A 71 -6.090 2.504 -1.183 1.00 0.00 C ATOM 1080 CE2 PHE A 71 -4.082 1.619 -2.122 1.00 0.00 C ATOM 1081 CZ PHE A 71 -4.817 1.998 -1.019 1.00 0.00 C ATOM 0 H PHE A 71 -7.622 1.276 -6.818 1.00 0.00 H new ATOM 0 HA PHE A 71 -8.374 1.794 -4.127 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.045 1.592 -5.582 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.159 3.330 -5.381 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.623 3.026 -2.575 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.039 1.451 -4.248 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.668 2.802 -0.321 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.086 1.222 -1.997 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.397 1.899 -0.029 1.00 0.00 H new ATOM 1091 N SER A 72 -8.467 4.296 -6.287 1.00 0.00 N ATOM 1092 CA SER A 72 -9.009 5.623 -6.548 1.00 0.00 C ATOM 1093 C SER A 72 -9.260 5.793 -8.044 1.00 0.00 C ATOM 1094 O SER A 72 -8.510 5.273 -8.870 1.00 0.00 O ATOM 1095 CB SER A 72 -8.042 6.700 -6.047 1.00 0.00 C ATOM 1096 OG SER A 72 -7.853 6.607 -4.645 1.00 0.00 O ATOM 0 H SER A 72 -7.981 3.883 -7.083 1.00 0.00 H new ATOM 0 HA SER A 72 -9.953 5.731 -6.015 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.083 6.595 -6.554 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.430 7.687 -6.300 1.00 0.00 H new ATOM 0 HG SER A 72 -8.709 6.405 -4.212 1.00 0.00 H new ATOM 1102 N ALA A 73 -10.316 6.525 -8.384 1.00 0.00 N ATOM 1103 CA ALA A 73 -10.738 6.676 -9.775 1.00 0.00 C ATOM 1104 C ALA A 73 -9.762 7.530 -10.584 1.00 0.00 C ATOM 1105 O ALA A 73 -9.826 7.557 -11.813 1.00 0.00 O ATOM 1106 CB ALA A 73 -12.137 7.271 -9.835 1.00 0.00 C ATOM 0 H ALA A 73 -10.899 7.026 -7.713 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.747 5.683 -10.224 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.442 7.379 -10.876 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.835 6.612 -9.319 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.138 8.249 -9.353 1.00 0.00 H new ATOM 1112 N GLY A 74 -8.871 8.230 -9.898 1.00 0.00 N ATOM 1113 CA GLY A 74 -7.895 9.063 -10.575 1.00 0.00 C ATOM 1114 C GLY A 74 -6.484 8.525 -10.438 1.00 0.00 C ATOM 1115 O GLY A 74 -5.512 9.284 -10.442 1.00 0.00 O ATOM 0 H GLY A 74 -8.805 8.237 -8.880 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.153 9.135 -11.632 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.937 10.073 -10.167 1.00 0.00 H new ATOM 1119 N ALA A 75 -6.369 7.213 -10.311 1.00 0.00 N ATOM 1120 CA ALA A 75 -5.072 6.575 -10.176 1.00 0.00 C ATOM 1121 C ALA A 75 -4.621 5.979 -11.504 1.00 0.00 C ATOM 1122 O ALA A 75 -5.422 5.404 -12.243 1.00 0.00 O ATOM 1123 CB ALA A 75 -5.121 5.512 -9.093 1.00 0.00 C ATOM 0 H ALA A 75 -7.160 6.569 -10.299 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.342 7.330 -9.885 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.142 5.041 -9.001 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.392 5.973 -8.143 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.863 4.758 -9.356 1.00 0.00 H new ATOM 1129 N ARG A 76 -3.338 6.125 -11.801 1.00 0.00 N ATOM 1130 CA ARG A 76 -2.776 5.675 -13.067 1.00 0.00 C ATOM 1131 C ARG A 76 -2.411 4.197 -13.003 1.00 0.00 C ATOM 1132 O ARG A 76 -1.844 3.740 -12.013 1.00 0.00 O ATOM 1133 CB ARG A 76 -1.525 6.488 -13.403 1.00 0.00 C ATOM 1134 CG ARG A 76 -1.727 7.995 -13.317 1.00 0.00 C ATOM 1135 CD ARG A 76 -2.782 8.481 -14.298 1.00 0.00 C ATOM 1136 NE ARG A 76 -2.413 8.205 -15.686 1.00 0.00 N ATOM 1137 CZ ARG A 76 -3.166 8.531 -16.733 1.00 0.00 C ATOM 1138 NH1 ARG A 76 -4.325 9.152 -16.555 1.00 0.00 N ATOM 1139 NH2 ARG A 76 -2.760 8.237 -17.962 1.00 0.00 N ATOM 0 H ARG A 76 -2.659 6.557 -11.174 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.529 5.820 -13.842 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.723 6.199 -12.724 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.197 6.232 -14.411 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.022 8.265 -12.303 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.783 8.500 -13.519 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.734 7.999 -14.074 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.929 9.553 -14.169 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.525 7.734 -15.862 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.641 9.381 -15.613 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.900 9.400 -17.360 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.870 7.760 -18.105 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.339 8.488 -18.764 1.00 0.00 H new ATOM 1153 N ALA A 77 -2.734 3.458 -14.060 1.00 0.00 N ATOM 1154 CA ALA A 77 -2.410 2.038 -14.128 1.00 0.00 C ATOM 1155 C ALA A 77 -0.906 1.825 -14.220 1.00 0.00 C ATOM 1156 O ALA A 77 -0.258 2.269 -15.173 1.00 0.00 O ATOM 1157 CB ALA A 77 -3.105 1.380 -15.309 1.00 0.00 C ATOM 0 H ALA A 77 -3.220 3.819 -14.881 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.769 1.572 -13.210 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.848 0.321 -15.339 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.184 1.489 -15.203 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.782 1.858 -16.234 1.00 0.00 H new ATOM 1163 N LEU A 78 -0.362 1.142 -13.225 1.00 0.00 N ATOM 1164 CA LEU A 78 1.066 0.875 -13.165 1.00 0.00 C ATOM 1165 C LEU A 78 1.469 -0.111 -14.249 1.00 0.00 C ATOM 1166 O LEU A 78 0.852 -1.165 -14.403 1.00 0.00 O ATOM 1167 CB LEU A 78 1.438 0.318 -11.793 1.00 0.00 C ATOM 1168 CG LEU A 78 1.052 1.200 -10.608 1.00 0.00 C ATOM 1169 CD1 LEU A 78 1.511 0.564 -9.307 1.00 0.00 C ATOM 1170 CD2 LEU A 78 1.633 2.597 -10.767 1.00 0.00 C ATOM 0 H LEU A 78 -0.893 0.760 -12.442 1.00 0.00 H new ATOM 0 HA LEU A 78 1.600 1.811 -13.328 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.962 -0.655 -11.672 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.515 0.151 -11.766 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.034 1.290 -10.580 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.229 1.203 -8.470 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.039 -0.412 -9.193 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.594 0.444 -9.323 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.346 3.210 -9.912 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.720 2.535 -10.821 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.250 3.049 -11.682 1.00 0.00 H new ATOM 1182 N SER A 79 2.505 0.229 -14.995 1.00 0.00 N ATOM 1183 CA SER A 79 2.958 -0.610 -16.087 1.00 0.00 C ATOM 1184 C SER A 79 4.461 -0.869 -15.991 1.00 0.00 C ATOM 1185 O SER A 79 5.190 -0.098 -15.362 1.00 0.00 O ATOM 1186 CB SER A 79 2.609 0.060 -17.418 1.00 0.00 C ATOM 1187 OG SER A 79 1.241 0.447 -17.443 1.00 0.00 O ATOM 0 H SER A 79 3.048 1.082 -14.863 1.00 0.00 H new ATOM 0 HA SER A 79 2.454 -1.574 -16.026 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.242 0.935 -17.567 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.813 -0.626 -18.240 1.00 0.00 H new ATOM 0 HG SER A 79 1.038 0.875 -18.301 1.00 0.00 H new ATOM 1193 N ASP A 80 4.895 -1.973 -16.592 1.00 0.00 N ATOM 1194 CA ASP A 80 6.310 -2.342 -16.675 1.00 0.00 C ATOM 1195 C ASP A 80 6.998 -2.370 -15.320 1.00 0.00 C ATOM 1196 O ASP A 80 6.685 -3.208 -14.470 1.00 0.00 O ATOM 1197 CB ASP A 80 7.071 -1.420 -17.636 1.00 0.00 C ATOM 1198 CG ASP A 80 6.841 -1.771 -19.089 1.00 0.00 C ATOM 1199 OD1 ASP A 80 7.531 -2.678 -19.601 1.00 0.00 O ATOM 1200 OD2 ASP A 80 5.985 -1.132 -19.737 1.00 0.00 O ATOM 0 H ASP A 80 4.271 -2.644 -17.040 1.00 0.00 H new ATOM 0 HA ASP A 80 6.331 -3.359 -17.067 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.764 -0.389 -17.463 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.137 -1.476 -17.418 1.00 0.00 H new ATOM 1205 N ALA A 81 7.913 -1.438 -15.112 1.00 0.00 N ATOM 1206 CA ALA A 81 8.809 -1.504 -13.978 1.00 0.00 C ATOM 1207 C ALA A 81 8.087 -1.214 -12.672 1.00 0.00 C ATOM 1208 O ALA A 81 8.412 -1.801 -11.639 1.00 0.00 O ATOM 1209 CB ALA A 81 9.975 -0.549 -14.170 1.00 0.00 C ATOM 0 H ALA A 81 8.052 -0.628 -15.716 1.00 0.00 H new ATOM 0 HA ALA A 81 9.194 -2.522 -13.918 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.641 -0.610 -13.309 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.523 -0.821 -15.072 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.599 0.469 -14.267 1.00 0.00 H new ATOM 1215 N GLU A 82 7.099 -0.327 -12.731 1.00 0.00 N ATOM 1216 CA GLU A 82 6.359 0.083 -11.545 1.00 0.00 C ATOM 1217 C GLU A 82 5.710 -1.124 -10.912 1.00 0.00 C ATOM 1218 O GLU A 82 5.913 -1.392 -9.737 1.00 0.00 O ATOM 1219 CB GLU A 82 5.279 1.117 -11.886 1.00 0.00 C ATOM 1220 CG GLU A 82 5.607 2.021 -13.064 1.00 0.00 C ATOM 1221 CD GLU A 82 6.903 2.789 -12.904 1.00 0.00 C ATOM 1222 OE1 GLU A 82 6.880 3.895 -12.332 1.00 0.00 O ATOM 1223 OE2 GLU A 82 7.947 2.299 -13.381 1.00 0.00 O ATOM 0 H GLU A 82 6.792 0.123 -13.593 1.00 0.00 H new ATOM 0 HA GLU A 82 7.064 0.541 -10.851 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.348 0.592 -12.098 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.102 1.738 -11.008 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.663 1.416 -13.969 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.791 2.730 -13.204 1.00 0.00 H new ATOM 1230 N THR A 83 4.955 -1.868 -11.710 1.00 0.00 N ATOM 1231 CA THR A 83 4.284 -3.055 -11.212 1.00 0.00 C ATOM 1232 C THR A 83 5.307 -4.052 -10.684 1.00 0.00 C ATOM 1233 O THR A 83 5.134 -4.609 -9.608 1.00 0.00 O ATOM 1234 CB THR A 83 3.446 -3.737 -12.307 1.00 0.00 C ATOM 1235 OG1 THR A 83 2.820 -2.749 -13.136 1.00 0.00 O ATOM 1236 CG2 THR A 83 2.374 -4.625 -11.692 1.00 0.00 C ATOM 0 H THR A 83 4.794 -1.670 -12.698 1.00 0.00 H new ATOM 0 HA THR A 83 3.617 -2.738 -10.410 1.00 0.00 H new ATOM 0 HB THR A 83 4.114 -4.352 -12.910 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.413 -2.527 -13.884 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.794 -5.097 -12.485 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.846 -5.394 -11.080 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.714 -4.021 -11.070 1.00 0.00 H new ATOM 1244 N LYS A 84 6.385 -4.240 -11.440 1.00 0.00 N ATOM 1245 CA LYS A 84 7.428 -5.196 -11.083 1.00 0.00 C ATOM 1246 C LYS A 84 7.996 -4.925 -9.691 1.00 0.00 C ATOM 1247 O LYS A 84 7.878 -5.762 -8.795 1.00 0.00 O ATOM 1248 CB LYS A 84 8.551 -5.160 -12.123 1.00 0.00 C ATOM 1249 CG LYS A 84 9.764 -5.990 -11.734 1.00 0.00 C ATOM 1250 CD LYS A 84 10.794 -6.039 -12.850 1.00 0.00 C ATOM 1251 CE LYS A 84 11.473 -4.693 -13.058 1.00 0.00 C ATOM 1252 NZ LYS A 84 12.358 -4.333 -11.919 1.00 0.00 N ATOM 0 H LYS A 84 6.559 -3.738 -12.311 1.00 0.00 H new ATOM 0 HA LYS A 84 6.976 -6.188 -11.068 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.164 -5.520 -13.076 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.862 -4.126 -12.275 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.219 -5.570 -10.837 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.447 -7.003 -11.487 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.546 -6.792 -12.616 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.310 -6.348 -13.777 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.058 -4.721 -13.977 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.715 -3.921 -13.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.939 -3.510 -12.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.777 -4.099 -11.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.977 -5.137 -11.693 1.00 0.00 H new ATOM 1266 N VAL A 85 8.590 -3.754 -9.504 1.00 0.00 N ATOM 1267 CA VAL A 85 9.245 -3.430 -8.241 1.00 0.00 C ATOM 1268 C VAL A 85 8.215 -3.242 -7.124 1.00 0.00 C ATOM 1269 O VAL A 85 8.489 -3.525 -5.955 1.00 0.00 O ATOM 1270 CB VAL A 85 10.140 -2.177 -8.373 1.00 0.00 C ATOM 1271 CG1 VAL A 85 9.332 -0.975 -8.829 1.00 0.00 C ATOM 1272 CG2 VAL A 85 10.862 -1.878 -7.069 1.00 0.00 C ATOM 0 H VAL A 85 8.633 -3.015 -10.206 1.00 0.00 H new ATOM 0 HA VAL A 85 9.887 -4.271 -7.979 1.00 0.00 H new ATOM 0 HB VAL A 85 10.892 -2.387 -9.133 1.00 0.00 H new ATOM 0 HG11 VAL A 85 9.986 -0.107 -8.913 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.882 -1.186 -9.799 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.547 -0.768 -8.102 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.484 -0.991 -7.192 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.131 -1.701 -6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.490 -2.727 -6.798 1.00 0.00 H new ATOM 1282 N PHE A 86 7.024 -2.791 -7.493 1.00 0.00 N ATOM 1283 CA PHE A 86 5.939 -2.640 -6.538 1.00 0.00 C ATOM 1284 C PHE A 86 5.532 -4.008 -5.992 1.00 0.00 C ATOM 1285 O PHE A 86 5.336 -4.170 -4.788 1.00 0.00 O ATOM 1286 CB PHE A 86 4.751 -1.927 -7.197 1.00 0.00 C ATOM 1287 CG PHE A 86 3.572 -1.722 -6.285 1.00 0.00 C ATOM 1288 CD1 PHE A 86 3.473 -0.576 -5.514 1.00 0.00 C ATOM 1289 CD2 PHE A 86 2.567 -2.671 -6.198 1.00 0.00 C ATOM 1290 CE1 PHE A 86 2.396 -0.379 -4.671 1.00 0.00 C ATOM 1291 CE2 PHE A 86 1.487 -2.482 -5.357 1.00 0.00 C ATOM 1292 CZ PHE A 86 1.403 -1.334 -4.592 1.00 0.00 C ATOM 0 H PHE A 86 6.786 -2.524 -8.448 1.00 0.00 H new ATOM 0 HA PHE A 86 6.276 -2.027 -5.702 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.083 -0.957 -7.566 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.430 -2.505 -8.063 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.248 0.174 -5.572 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.628 -3.569 -6.794 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.332 0.520 -4.076 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.710 -3.230 -5.298 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.561 -1.184 -3.933 1.00 0.00 H new ATOM 1302 N LEU A 87 5.434 -4.994 -6.882 1.00 0.00 N ATOM 1303 CA LEU A 87 5.134 -6.363 -6.478 1.00 0.00 C ATOM 1304 C LEU A 87 6.269 -6.922 -5.633 1.00 0.00 C ATOM 1305 O LEU A 87 6.034 -7.600 -4.638 1.00 0.00 O ATOM 1306 CB LEU A 87 4.919 -7.274 -7.694 1.00 0.00 C ATOM 1307 CG LEU A 87 3.732 -6.924 -8.597 1.00 0.00 C ATOM 1308 CD1 LEU A 87 3.695 -7.858 -9.795 1.00 0.00 C ATOM 1309 CD2 LEU A 87 2.418 -6.994 -7.836 1.00 0.00 C ATOM 0 H LEU A 87 5.558 -4.869 -7.887 1.00 0.00 H new ATOM 0 HA LEU A 87 4.213 -6.337 -5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.826 -7.259 -8.298 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.790 -8.296 -7.338 1.00 0.00 H new ATOM 0 HG LEU A 87 3.863 -5.899 -8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.848 -7.601 -10.431 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.619 -7.757 -10.364 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.591 -8.887 -9.451 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.596 -6.740 -8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.274 -8.003 -7.451 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.441 -6.289 -7.005 1.00 0.00 H new ATOM 1321 N LYS A 88 7.500 -6.607 -6.028 1.00 0.00 N ATOM 1322 CA LYS A 88 8.691 -7.127 -5.359 1.00 0.00 C ATOM 1323 C LYS A 88 8.786 -6.660 -3.913 1.00 0.00 C ATOM 1324 O LYS A 88 9.422 -7.316 -3.086 1.00 0.00 O ATOM 1325 CB LYS A 88 9.956 -6.710 -6.113 1.00 0.00 C ATOM 1326 CG LYS A 88 10.147 -7.423 -7.437 1.00 0.00 C ATOM 1327 CD LYS A 88 10.569 -8.862 -7.221 1.00 0.00 C ATOM 1328 CE LYS A 88 10.852 -9.562 -8.536 1.00 0.00 C ATOM 1329 NZ LYS A 88 11.397 -10.929 -8.332 1.00 0.00 N ATOM 0 H LYS A 88 7.700 -5.989 -6.814 1.00 0.00 H new ATOM 0 HA LYS A 88 8.605 -8.214 -5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.922 -5.635 -6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.823 -6.901 -5.481 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.219 -7.394 -8.007 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.901 -6.904 -8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 88 11.460 -8.891 -6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.784 -9.396 -6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.934 -9.621 -9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.561 -8.972 -9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.577 -11.373 -9.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.287 -10.872 -7.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.710 -11.501 -7.801 1.00 0.00 H new ATOM 1343 N ALA A 89 8.173 -5.525 -3.611 1.00 0.00 N ATOM 1344 CA ALA A 89 8.144 -5.021 -2.246 1.00 0.00 C ATOM 1345 C ALA A 89 7.376 -5.978 -1.339 1.00 0.00 C ATOM 1346 O ALA A 89 7.650 -6.078 -0.141 1.00 0.00 O ATOM 1347 CB ALA A 89 7.524 -3.631 -2.205 1.00 0.00 C ATOM 0 H ALA A 89 7.690 -4.937 -4.291 1.00 0.00 H new ATOM 0 HA ALA A 89 9.169 -4.951 -1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.510 -3.269 -1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.113 -2.952 -2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.504 -3.676 -2.588 1.00 0.00 H new ATOM 1353 N GLY A 90 6.427 -6.695 -1.929 1.00 0.00 N ATOM 1354 CA GLY A 90 5.609 -7.615 -1.171 1.00 0.00 C ATOM 1355 C GLY A 90 5.892 -9.060 -1.518 1.00 0.00 C ATOM 1356 O GLY A 90 6.419 -9.807 -0.690 1.00 0.00 O ATOM 0 H GLY A 90 6.211 -6.653 -2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.783 -7.459 -0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.557 -7.399 -1.357 1.00 0.00 H new ATOM 1360 N ASP A 91 5.559 -9.450 -2.747 1.00 0.00 N ATOM 1361 CA ASP A 91 5.722 -10.830 -3.182 1.00 0.00 C ATOM 1362 C ASP A 91 7.191 -11.227 -3.167 1.00 0.00 C ATOM 1363 O ASP A 91 7.991 -10.752 -3.977 1.00 0.00 O ATOM 1364 CB ASP A 91 5.171 -11.055 -4.572 1.00 0.00 C ATOM 1365 CG ASP A 91 5.162 -12.530 -4.898 1.00 0.00 C ATOM 1366 OD1 ASP A 91 4.364 -13.279 -4.276 1.00 0.00 O ATOM 1367 OD2 ASP A 91 5.967 -12.955 -5.737 1.00 0.00 O ATOM 0 H ASP A 91 5.175 -8.827 -3.457 1.00 0.00 H new ATOM 0 HA ASP A 91 5.161 -11.448 -2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.160 -10.654 -4.639 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.776 -10.518 -5.302 1.00 0.00 H new ATOM 1372 N SER A 92 7.536 -12.101 -2.247 1.00 0.00 N ATOM 1373 CA SER A 92 8.914 -12.496 -2.046 1.00 0.00 C ATOM 1374 C SER A 92 9.192 -13.814 -2.755 1.00 0.00 C ATOM 1375 O SER A 92 10.322 -14.299 -2.784 1.00 0.00 O ATOM 1376 CB SER A 92 9.182 -12.618 -0.548 1.00 0.00 C ATOM 1377 OG SER A 92 8.722 -11.458 0.130 1.00 0.00 O ATOM 0 H SER A 92 6.873 -12.556 -1.620 1.00 0.00 H new ATOM 0 HA SER A 92 9.579 -11.742 -2.468 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.681 -13.502 -0.153 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.249 -12.751 -0.372 1.00 0.00 H new ATOM 0 HG SER A 92 8.898 -11.549 1.090 1.00 0.00 H new ATOM 1383 N ASP A 93 8.145 -14.387 -3.324 1.00 0.00 N ATOM 1384 CA ASP A 93 8.233 -15.716 -3.923 1.00 0.00 C ATOM 1385 C ASP A 93 8.580 -15.651 -5.407 1.00 0.00 C ATOM 1386 O ASP A 93 9.150 -16.593 -5.962 1.00 0.00 O ATOM 1387 CB ASP A 93 6.907 -16.469 -3.775 1.00 0.00 C ATOM 1388 CG ASP A 93 6.127 -16.078 -2.539 1.00 0.00 C ATOM 1389 OD1 ASP A 93 6.381 -16.648 -1.461 1.00 0.00 O ATOM 1390 OD2 ASP A 93 5.245 -15.194 -2.645 1.00 0.00 O ATOM 0 H ASP A 93 7.223 -13.956 -3.386 1.00 0.00 H new ATOM 0 HA ASP A 93 9.028 -16.241 -3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.293 -16.284 -4.656 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.108 -17.540 -3.745 1.00 0.00 H new ATOM 1395 N GLY A 94 8.241 -14.539 -6.047 1.00 0.00 N ATOM 1396 CA GLY A 94 8.319 -14.465 -7.494 1.00 0.00 C ATOM 1397 C GLY A 94 7.100 -15.121 -8.101 1.00 0.00 C ATOM 1398 O GLY A 94 7.178 -15.830 -9.104 1.00 0.00 O ATOM 0 H GLY A 94 7.914 -13.687 -5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 94 8.381 -13.424 -7.812 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.224 -14.960 -7.845 1.00 0.00 H new ATOM 1402 N ASP A 95 5.968 -14.861 -7.470 1.00 0.00 N ATOM 1403 CA ASP A 95 4.733 -15.580 -7.729 1.00 0.00 C ATOM 1404 C ASP A 95 3.828 -14.801 -8.686 1.00 0.00 C ATOM 1405 O ASP A 95 2.737 -15.256 -9.030 1.00 0.00 O ATOM 1406 CB ASP A 95 4.031 -15.824 -6.389 1.00 0.00 C ATOM 1407 CG ASP A 95 3.077 -16.997 -6.398 1.00 0.00 C ATOM 1408 OD1 ASP A 95 3.401 -18.041 -7.002 1.00 0.00 O ATOM 1409 OD2 ASP A 95 2.010 -16.900 -5.759 1.00 0.00 O ATOM 0 H ASP A 95 5.880 -14.138 -6.756 1.00 0.00 H new ATOM 0 HA ASP A 95 4.957 -16.532 -8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.786 -15.989 -5.620 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.482 -14.925 -6.109 1.00 0.00 H new ATOM 1414 N GLY A 96 4.291 -13.621 -9.108 1.00 0.00 N ATOM 1415 CA GLY A 96 3.550 -12.825 -10.081 1.00 0.00 C ATOM 1416 C GLY A 96 2.282 -12.228 -9.506 1.00 0.00 C ATOM 1417 O GLY A 96 1.301 -12.018 -10.223 1.00 0.00 O ATOM 0 H GLY A 96 5.166 -13.202 -8.793 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.189 -12.023 -10.450 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.296 -13.450 -10.937 1.00 0.00 H new ATOM 1421 N LYS A 97 2.305 -11.962 -8.211 1.00 0.00 N ATOM 1422 CA LYS A 97 1.121 -11.531 -7.488 1.00 0.00 C ATOM 1423 C LYS A 97 1.513 -10.795 -6.233 1.00 0.00 C ATOM 1424 O LYS A 97 2.687 -10.635 -5.938 1.00 0.00 O ATOM 1425 CB LYS A 97 0.287 -12.746 -7.092 1.00 0.00 C ATOM 1426 CG LYS A 97 0.970 -13.671 -6.095 1.00 0.00 C ATOM 1427 CD LYS A 97 -0.054 -14.517 -5.354 1.00 0.00 C ATOM 1428 CE LYS A 97 -0.930 -15.315 -6.310 1.00 0.00 C ATOM 1429 NZ LYS A 97 -0.131 -16.229 -7.169 1.00 0.00 N ATOM 0 H LYS A 97 3.142 -12.038 -7.633 1.00 0.00 H new ATOM 0 HA LYS A 97 0.544 -10.872 -8.137 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.656 -12.403 -6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.043 -13.314 -7.990 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.674 -14.319 -6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.547 -13.082 -5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.460 -15.200 -4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.682 -13.872 -4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.654 -15.896 -5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.497 -14.629 -6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.771 -16.825 -7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.470 -15.669 -7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.468 -16.833 -6.570 1.00 0.00 H new ATOM 1443 N ILE A 98 0.517 -10.336 -5.515 1.00 0.00 N ATOM 1444 CA ILE A 98 0.720 -9.819 -4.188 1.00 0.00 C ATOM 1445 C ILE A 98 0.017 -10.713 -3.190 1.00 0.00 C ATOM 1446 O ILE A 98 -1.216 -10.782 -3.159 1.00 0.00 O ATOM 1447 CB ILE A 98 0.196 -8.376 -4.038 1.00 0.00 C ATOM 1448 CG1 ILE A 98 1.140 -7.384 -4.709 1.00 0.00 C ATOM 1449 CG2 ILE A 98 0.008 -8.011 -2.575 1.00 0.00 C ATOM 1450 CD1 ILE A 98 2.535 -7.384 -4.120 1.00 0.00 C ATOM 0 H ILE A 98 -0.452 -10.311 -5.834 1.00 0.00 H new ATOM 0 HA ILE A 98 1.794 -9.802 -4.000 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.774 -8.324 -4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.203 -7.617 -5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.719 -6.382 -4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.362 -6.989 -2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.711 -8.692 -2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.962 -8.091 -2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.152 -6.655 -4.646 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.484 -7.121 -3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.975 -8.376 -4.227 1.00 0.00 H new ATOM 1462 N GLY A 99 0.796 -11.445 -2.415 1.00 0.00 N ATOM 1463 CA GLY A 99 0.230 -12.105 -1.276 1.00 0.00 C ATOM 1464 C GLY A 99 -0.322 -11.065 -0.337 1.00 0.00 C ATOM 1465 O GLY A 99 0.309 -10.032 -0.122 1.00 0.00 O ATOM 0 H GLY A 99 1.796 -11.590 -2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.560 -12.788 -1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.988 -12.704 -0.772 1.00 0.00 H new ATOM 1469 N VAL A 100 -1.492 -11.310 0.200 1.00 0.00 N ATOM 1470 CA VAL A 100 -2.169 -10.339 1.016 1.00 0.00 C ATOM 1471 C VAL A 100 -1.340 -9.924 2.219 1.00 0.00 C ATOM 1472 O VAL A 100 -1.275 -8.746 2.576 1.00 0.00 O ATOM 1473 CB VAL A 100 -3.505 -10.906 1.470 1.00 0.00 C ATOM 1474 CG1 VAL A 100 -4.473 -10.895 0.301 1.00 0.00 C ATOM 1475 CG2 VAL A 100 -3.358 -12.321 2.025 1.00 0.00 C ATOM 0 H VAL A 100 -1.999 -12.187 0.083 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.328 -9.445 0.413 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.890 -10.281 2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.433 -11.300 0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.609 -9.872 -0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.073 -11.505 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.334 -12.692 2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.953 -12.975 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.682 -12.308 2.880 1.00 0.00 H new ATOM 1485 N ASP A 101 -0.680 -10.892 2.810 1.00 0.00 N ATOM 1486 CA ASP A 101 0.146 -10.653 3.967 1.00 0.00 C ATOM 1487 C ASP A 101 1.499 -10.106 3.527 1.00 0.00 C ATOM 1488 O ASP A 101 2.205 -9.454 4.298 1.00 0.00 O ATOM 1489 CB ASP A 101 0.276 -11.952 4.750 1.00 0.00 C ATOM 1490 CG ASP A 101 1.042 -11.794 6.049 1.00 0.00 C ATOM 1491 OD1 ASP A 101 0.491 -11.205 7.003 1.00 0.00 O ATOM 1492 OD2 ASP A 101 2.197 -12.268 6.127 1.00 0.00 O ATOM 0 H ASP A 101 -0.701 -11.864 2.502 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.306 -9.906 4.620 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.720 -12.338 4.968 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.777 -12.694 4.129 1.00 0.00 H new ATOM 1497 N GLU A 102 1.826 -10.344 2.256 1.00 0.00 N ATOM 1498 CA GLU A 102 3.018 -9.768 1.641 1.00 0.00 C ATOM 1499 C GLU A 102 2.817 -8.269 1.428 1.00 0.00 C ATOM 1500 O GLU A 102 3.758 -7.480 1.527 1.00 0.00 O ATOM 1501 CB GLU A 102 3.328 -10.448 0.293 1.00 0.00 C ATOM 1502 CG GLU A 102 3.519 -11.955 0.399 1.00 0.00 C ATOM 1503 CD GLU A 102 4.085 -12.585 -0.866 1.00 0.00 C ATOM 1504 OE1 GLU A 102 3.322 -12.828 -1.832 1.00 0.00 O ATOM 1505 OE2 GLU A 102 5.293 -12.880 -0.903 1.00 0.00 O ATOM 0 H GLU A 102 1.277 -10.935 1.631 1.00 0.00 H new ATOM 0 HA GLU A 102 3.862 -9.933 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.516 -10.241 -0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.230 -10.005 -0.129 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.187 -12.171 1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.560 -12.420 0.629 1.00 0.00 H new ATOM 1512 N PHE A 103 1.575 -7.884 1.143 1.00 0.00 N ATOM 1513 CA PHE A 103 1.241 -6.484 0.917 1.00 0.00 C ATOM 1514 C PHE A 103 1.343 -5.704 2.218 1.00 0.00 C ATOM 1515 O PHE A 103 2.001 -4.668 2.276 1.00 0.00 O ATOM 1516 CB PHE A 103 -0.167 -6.348 0.335 1.00 0.00 C ATOM 1517 CG PHE A 103 -0.424 -5.009 -0.298 1.00 0.00 C ATOM 1518 CD1 PHE A 103 0.161 -4.682 -1.511 1.00 0.00 C ATOM 1519 CD2 PHE A 103 -1.244 -4.078 0.314 1.00 0.00 C ATOM 1520 CE1 PHE A 103 -0.065 -3.456 -2.100 1.00 0.00 C ATOM 1521 CE2 PHE A 103 -1.474 -2.846 -0.271 1.00 0.00 C ATOM 1522 CZ PHE A 103 -0.884 -2.535 -1.479 1.00 0.00 C ATOM 0 H PHE A 103 0.785 -8.524 1.064 1.00 0.00 H new ATOM 0 HA PHE A 103 1.952 -6.075 0.199 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.322 -7.129 -0.409 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.897 -6.513 1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.803 -5.398 -2.002 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.710 -4.316 1.259 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.398 -3.217 -3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -2.115 -2.127 0.218 1.00 0.00 H new ATOM 0 HZ PHE A 103 -1.063 -1.573 -1.937 1.00 0.00 H new ATOM 1532 N GLY A 104 0.701 -6.215 3.262 1.00 0.00 N ATOM 1533 CA GLY A 104 0.789 -5.585 4.567 1.00 0.00 C ATOM 1534 C GLY A 104 2.227 -5.461 5.030 1.00 0.00 C ATOM 1535 O GLY A 104 2.606 -4.480 5.670 1.00 0.00 O ATOM 0 H GLY A 104 0.121 -7.054 3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.333 -4.596 4.526 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.221 -6.168 5.292 1.00 0.00 H new ATOM 1539 N ALA A 105 3.034 -6.452 4.672 1.00 0.00 N ATOM 1540 CA ALA A 105 4.444 -6.461 5.021 1.00 0.00 C ATOM 1541 C ALA A 105 5.199 -5.331 4.324 1.00 0.00 C ATOM 1542 O ALA A 105 6.021 -4.657 4.948 1.00 0.00 O ATOM 1543 CB ALA A 105 5.060 -7.806 4.676 1.00 0.00 C ATOM 0 H ALA A 105 2.730 -7.265 4.136 1.00 0.00 H new ATOM 0 HA ALA A 105 4.526 -6.299 6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.117 -7.801 4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.550 -8.593 5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.956 -7.990 3.607 1.00 0.00 H new ATOM 1549 N MET A 106 4.909 -5.107 3.041 1.00 0.00 N ATOM 1550 CA MET A 106 5.602 -4.069 2.274 1.00 0.00 C ATOM 1551 C MET A 106 5.237 -2.681 2.790 1.00 0.00 C ATOM 1552 O MET A 106 6.014 -1.736 2.673 1.00 0.00 O ATOM 1553 CB MET A 106 5.277 -4.146 0.772 1.00 0.00 C ATOM 1554 CG MET A 106 3.952 -3.496 0.384 1.00 0.00 C ATOM 1555 SD MET A 106 3.816 -3.123 -1.381 1.00 0.00 S ATOM 1556 CE MET A 106 3.626 -4.756 -2.091 1.00 0.00 C ATOM 0 H MET A 106 4.206 -5.625 2.514 1.00 0.00 H new ATOM 0 HA MET A 106 6.670 -4.244 2.406 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.081 -3.667 0.213 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.258 -5.193 0.469 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.135 -4.158 0.671 1.00 0.00 H new ATOM 0 HG3 MET A 106 3.830 -2.574 0.952 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.540 -5.033 -2.616 1.00 0.00 H new ATOM 0 HE2 MET A 106 3.430 -5.477 -1.298 1.00 0.00 H new ATOM 0 HE3 MET A 106 2.792 -4.753 -2.793 1.00 0.00 H new ATOM 1566 N ILE A 107 4.049 -2.572 3.362 1.00 0.00 N ATOM 1567 CA ILE A 107 3.538 -1.303 3.844 1.00 0.00 C ATOM 1568 C ILE A 107 4.158 -0.962 5.190 1.00 0.00 C ATOM 1569 O ILE A 107 4.425 0.198 5.506 1.00 0.00 O ATOM 1570 CB ILE A 107 2.005 -1.367 3.986 1.00 0.00 C ATOM 1571 CG1 ILE A 107 1.353 -1.599 2.624 1.00 0.00 C ATOM 1572 CG2 ILE A 107 1.470 -0.103 4.625 1.00 0.00 C ATOM 1573 CD1 ILE A 107 -0.132 -1.855 2.710 1.00 0.00 C ATOM 0 H ILE A 107 3.415 -3.358 3.504 1.00 0.00 H new ATOM 0 HA ILE A 107 3.801 -0.529 3.123 1.00 0.00 H new ATOM 0 HB ILE A 107 1.756 -2.206 4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.529 -0.729 1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.834 -2.448 2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 107 0.386 -0.171 4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.909 0.018 5.615 1.00 0.00 H new ATOM 0 HG23 ILE A 107 1.729 0.756 4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.533 -2.012 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.314 -2.742 3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.623 -0.996 3.167 1.00 0.00 H new ATOM 1585 N LYS A 108 4.404 -2.000 5.966 1.00 0.00 N ATOM 1586 CA LYS A 108 4.930 -1.857 7.307 1.00 0.00 C ATOM 1587 C LYS A 108 6.462 -1.806 7.279 1.00 0.00 C ATOM 1588 O LYS A 108 7.104 -1.477 8.279 1.00 0.00 O ATOM 1589 CB LYS A 108 4.393 -3.021 8.154 1.00 0.00 C ATOM 1590 CG LYS A 108 4.862 -3.051 9.603 1.00 0.00 C ATOM 1591 CD LYS A 108 6.121 -3.888 9.776 1.00 0.00 C ATOM 1592 CE LYS A 108 5.861 -5.367 9.531 1.00 0.00 C ATOM 1593 NZ LYS A 108 4.834 -5.917 10.455 1.00 0.00 N ATOM 0 H LYS A 108 4.244 -2.967 5.683 1.00 0.00 H new ATOM 0 HA LYS A 108 4.604 -0.919 7.755 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.304 -2.982 8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 108 4.683 -3.958 7.678 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.053 -2.033 9.944 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.069 -3.454 10.233 1.00 0.00 H new ATOM 0 HD2 LYS A 108 6.888 -3.536 9.086 1.00 0.00 H new ATOM 0 HD3 LYS A 108 6.512 -3.751 10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.535 -5.511 8.501 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.791 -5.923 9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.891 -6.955 10.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 5.004 -5.558 11.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 3.888 -5.623 10.138 1.00 0.00 H new ATOM 1607 N ALA A 109 7.034 -2.100 6.115 1.00 0.00 N ATOM 1608 CA ALA A 109 8.481 -2.074 5.935 1.00 0.00 C ATOM 1609 C ALA A 109 9.041 -0.680 6.210 1.00 0.00 C ATOM 1610 O ALA A 109 9.863 -0.537 7.141 1.00 0.00 O ATOM 1611 CB ALA A 109 8.849 -2.526 4.528 1.00 0.00 C ATOM 1612 OXT ALA A 109 8.635 0.274 5.514 1.00 0.00 O ATOM 0 H ALA A 109 6.513 -2.361 5.278 1.00 0.00 H new ATOM 0 HA ALA A 109 8.925 -2.765 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 109 9.932 -2.501 4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.490 -3.542 4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.389 -1.859 3.799 1.00 0.00 H new