USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 463 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 25 LYS NZ :NH3+ -167:sc= 0.202 (180deg=-1.05) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= -0.122 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.638 USER MOD Single : A 34 LYS NZ :NH3+ 160:sc= -0.0677 (180deg=-0.391) USER MOD Single : A 36 HIS : no HD1:sc= -3.29! C(o=-3.3!,f=-7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN :FLIP amide:sc= -2.27 F(o=-3.3!,f=-2.3) USER MOD Single : A 46 THR OG1 : rot 170:sc= -0.0232 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 78:sc= 0.175 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -3.43! C(o=-3.4!,f=-6.2!) USER MOD Single : A 68 TYR OH : rot -161:sc= 0.989 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -1.057 -6.746 5.620 1.00 0.00 N ATOM 67 CA ASP A 8 -2.251 -6.141 5.042 1.00 0.00 C ATOM 68 C ASP A 8 -1.898 -4.875 4.268 1.00 0.00 C ATOM 69 O ASP A 8 -0.921 -4.195 4.581 1.00 0.00 O ATOM 70 CB ASP A 8 -3.267 -5.817 6.139 1.00 0.00 C ATOM 71 CG ASP A 8 -4.263 -4.757 5.711 1.00 0.00 C ATOM 72 OD1 ASP A 8 -3.851 -3.590 5.542 1.00 0.00 O ATOM 73 OD2 ASP A 8 -5.454 -5.094 5.545 1.00 0.00 O ATOM 0 HA ASP A 8 -2.693 -6.857 4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.803 -6.725 6.413 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.739 -5.477 7.030 1.00 0.00 H new ATOM 78 N TYR A 9 -2.699 -4.565 3.255 1.00 0.00 N ATOM 79 CA TYR A 9 -2.470 -3.383 2.433 1.00 0.00 C ATOM 80 C TYR A 9 -2.372 -2.129 3.297 1.00 0.00 C ATOM 81 O TYR A 9 -1.313 -1.507 3.391 1.00 0.00 O ATOM 82 CB TYR A 9 -3.594 -3.222 1.408 1.00 0.00 C ATOM 83 CG TYR A 9 -3.678 -4.363 0.418 1.00 0.00 C ATOM 84 CD1 TYR A 9 -2.529 -4.919 -0.130 1.00 0.00 C ATOM 85 CD2 TYR A 9 -4.907 -4.883 0.031 1.00 0.00 C ATOM 86 CE1 TYR A 9 -2.601 -5.961 -1.034 1.00 0.00 C ATOM 87 CE2 TYR A 9 -4.988 -5.925 -0.872 1.00 0.00 C ATOM 88 CZ TYR A 9 -3.833 -6.460 -1.402 1.00 0.00 C ATOM 89 OH TYR A 9 -3.910 -7.498 -2.303 1.00 0.00 O ATOM 0 H TYR A 9 -3.513 -5.116 2.983 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.524 -3.516 1.907 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.545 -3.138 1.934 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.447 -2.289 0.863 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.563 -4.530 0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.814 -4.466 0.443 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.698 -6.382 -1.450 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.951 -6.319 -1.161 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.850 -7.731 -2.454 1.00 0.00 H new ATOM 99 N TYR A 10 -3.483 -1.765 3.926 1.00 0.00 N ATOM 100 CA TYR A 10 -3.525 -0.585 4.782 1.00 0.00 C ATOM 101 C TYR A 10 -2.273 -0.496 5.650 1.00 0.00 C ATOM 102 O TYR A 10 -1.782 0.594 5.939 1.00 0.00 O ATOM 103 CB TYR A 10 -4.772 -0.615 5.668 1.00 0.00 C ATOM 104 CG TYR A 10 -6.065 -0.479 4.897 1.00 0.00 C ATOM 105 CD1 TYR A 10 -6.413 0.721 4.290 1.00 0.00 C ATOM 106 CD2 TYR A 10 -6.940 -1.552 4.776 1.00 0.00 C ATOM 107 CE1 TYR A 10 -7.594 0.849 3.585 1.00 0.00 C ATOM 108 CE2 TYR A 10 -8.123 -1.433 4.072 1.00 0.00 C ATOM 109 CZ TYR A 10 -8.446 -0.230 3.479 1.00 0.00 C ATOM 110 OH TYR A 10 -9.623 -0.106 2.777 1.00 0.00 O ATOM 0 H TYR A 10 -4.367 -2.270 3.860 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.564 0.296 4.141 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.788 -1.551 6.226 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.708 0.191 6.399 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.749 1.569 4.371 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.691 -2.495 5.240 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.849 1.789 3.119 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.791 -2.277 3.986 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.107 -0.958 2.797 1.00 0.00 H new ATOM 120 N GLU A 11 -1.763 -1.653 6.060 1.00 0.00 N ATOM 121 CA GLU A 11 -0.568 -1.707 6.895 1.00 0.00 C ATOM 122 C GLU A 11 0.679 -1.373 6.082 1.00 0.00 C ATOM 123 O GLU A 11 1.497 -0.549 6.491 1.00 0.00 O ATOM 124 CB GLU A 11 -0.423 -3.092 7.527 1.00 0.00 C ATOM 125 CG GLU A 11 -1.535 -3.436 8.503 1.00 0.00 C ATOM 126 CD GLU A 11 -1.413 -2.685 9.815 1.00 0.00 C ATOM 127 OE1 GLU A 11 -0.618 -3.117 10.675 1.00 0.00 O ATOM 128 OE2 GLU A 11 -2.112 -1.663 9.980 1.00 0.00 O ATOM 0 H GLU A 11 -2.158 -2.564 5.828 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.674 -0.964 7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.400 -3.842 6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.534 -3.147 8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.498 -3.208 8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.522 -4.508 8.700 1.00 0.00 H new ATOM 135 N ILE A 12 0.817 -2.020 4.929 1.00 0.00 N ATOM 136 CA ILE A 12 1.964 -1.792 4.058 1.00 0.00 C ATOM 137 C ILE A 12 2.158 -0.305 3.783 1.00 0.00 C ATOM 138 O ILE A 12 3.286 0.183 3.711 1.00 0.00 O ATOM 139 CB ILE A 12 1.809 -2.535 2.718 1.00 0.00 C ATOM 140 CG1 ILE A 12 1.826 -4.048 2.944 1.00 0.00 C ATOM 141 CG2 ILE A 12 2.914 -2.126 1.756 1.00 0.00 C ATOM 142 CD1 ILE A 12 1.517 -4.849 1.699 1.00 0.00 C ATOM 0 H ILE A 12 0.149 -2.706 4.577 1.00 0.00 H new ATOM 0 HA ILE A 12 2.839 -2.179 4.580 1.00 0.00 H new ATOM 0 HB ILE A 12 0.850 -2.263 2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.807 -4.340 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.100 -4.300 3.717 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.791 -2.659 0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.860 -1.052 1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.883 -2.373 2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.547 -5.913 1.934 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.524 -4.586 1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.257 -4.627 0.930 1.00 0.00 H new ATOM 154 N LEU A 13 1.050 0.412 3.631 1.00 0.00 N ATOM 155 CA LEU A 13 1.097 1.846 3.365 1.00 0.00 C ATOM 156 C LEU A 13 1.223 2.637 4.663 1.00 0.00 C ATOM 157 O LEU A 13 1.906 3.658 4.716 1.00 0.00 O ATOM 158 CB LEU A 13 -0.157 2.285 2.607 1.00 0.00 C ATOM 159 CG LEU A 13 -0.518 1.460 1.371 1.00 0.00 C ATOM 160 CD1 LEU A 13 -1.840 1.929 0.783 1.00 0.00 C ATOM 161 CD2 LEU A 13 0.590 1.545 0.331 1.00 0.00 C ATOM 0 H LEU A 13 0.108 0.024 3.687 1.00 0.00 H new ATOM 0 HA LEU A 13 1.975 2.048 2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.001 2.259 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.027 3.323 2.301 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.627 0.418 1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.080 1.330 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.629 1.816 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.759 2.978 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.316 0.952 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.731 2.584 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.517 1.160 0.755 1.00 0.00 H new ATOM 173 N GLY A 14 0.560 2.155 5.710 1.00 0.00 N ATOM 174 CA GLY A 14 0.613 2.828 6.995 1.00 0.00 C ATOM 175 C GLY A 14 -0.545 3.785 7.196 1.00 0.00 C ATOM 176 O GLY A 14 -0.345 4.950 7.540 1.00 0.00 O ATOM 0 H GLY A 14 -0.013 1.311 5.691 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.608 2.084 7.792 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.552 3.376 7.076 1.00 0.00 H new ATOM 180 N VAL A 15 -1.761 3.294 6.980 1.00 0.00 N ATOM 181 CA VAL A 15 -2.956 4.114 7.139 1.00 0.00 C ATOM 182 C VAL A 15 -4.080 3.324 7.801 1.00 0.00 C ATOM 183 O VAL A 15 -3.957 2.121 8.029 1.00 0.00 O ATOM 184 CB VAL A 15 -3.452 4.653 5.784 1.00 0.00 C ATOM 185 CG1 VAL A 15 -2.364 5.471 5.104 1.00 0.00 C ATOM 186 CG2 VAL A 15 -3.906 3.509 4.890 1.00 0.00 C ATOM 0 H VAL A 15 -1.945 2.332 6.694 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.681 4.954 7.777 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.306 5.306 5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.733 5.843 4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.090 6.313 5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.489 4.844 4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.253 3.908 3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.072 2.830 4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.719 2.969 5.375 1.00 0.00 H new ATOM 196 N SER A 16 -5.177 4.010 8.107 1.00 0.00 N ATOM 197 CA SER A 16 -6.323 3.374 8.746 1.00 0.00 C ATOM 198 C SER A 16 -7.179 2.639 7.719 1.00 0.00 C ATOM 199 O SER A 16 -7.085 2.895 6.519 1.00 0.00 O ATOM 200 CB SER A 16 -7.169 4.417 9.479 1.00 0.00 C ATOM 201 OG SER A 16 -6.574 4.780 10.713 1.00 0.00 O ATOM 0 H SER A 16 -5.296 5.006 7.923 1.00 0.00 H new ATOM 0 HA SER A 16 -5.949 2.648 9.468 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.284 5.302 8.853 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.168 4.020 9.656 1.00 0.00 H new ATOM 0 HG SER A 16 -7.133 5.449 11.161 1.00 0.00 H new ATOM 207 N ARG A 17 -8.014 1.724 8.201 1.00 0.00 N ATOM 208 CA ARG A 17 -8.887 0.950 7.326 1.00 0.00 C ATOM 209 C ARG A 17 -10.036 1.809 6.807 1.00 0.00 C ATOM 210 O ARG A 17 -11.021 2.036 7.508 1.00 0.00 O ATOM 211 CB ARG A 17 -9.441 -0.267 8.070 1.00 0.00 C ATOM 212 CG ARG A 17 -8.456 -1.420 8.168 1.00 0.00 C ATOM 213 CD ARG A 17 -7.401 -1.162 9.233 1.00 0.00 C ATOM 214 NE ARG A 17 -7.894 -1.462 10.575 1.00 0.00 N ATOM 215 CZ ARG A 17 -7.187 -1.255 11.681 1.00 0.00 C ATOM 216 NH1 ARG A 17 -5.964 -0.748 11.604 1.00 0.00 N ATOM 217 NH2 ARG A 17 -7.704 -1.553 12.866 1.00 0.00 N ATOM 0 H ARG A 17 -8.104 1.501 9.192 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.298 0.609 6.475 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.735 0.035 9.075 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.343 -0.612 7.564 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.993 -2.340 8.401 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.972 -1.569 7.203 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.520 -1.770 9.026 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.087 -0.119 9.187 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.832 -1.852 10.668 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.564 -0.516 10.695 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.423 -0.590 12.454 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.645 -1.941 12.929 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.160 -1.394 13.714 1.00 0.00 H new ATOM 231 N GLY A 18 -9.902 2.285 5.572 1.00 0.00 N ATOM 232 CA GLY A 18 -10.936 3.114 4.980 1.00 0.00 C ATOM 233 C GLY A 18 -10.419 4.477 4.566 1.00 0.00 C ATOM 234 O GLY A 18 -11.199 5.402 4.340 1.00 0.00 O ATOM 0 H GLY A 18 -9.096 2.111 4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.351 2.606 4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.750 3.239 5.694 1.00 0.00 H new ATOM 238 N ALA A 19 -9.100 4.603 4.467 1.00 0.00 N ATOM 239 CA ALA A 19 -8.480 5.864 4.077 1.00 0.00 C ATOM 240 C ALA A 19 -8.804 6.209 2.627 1.00 0.00 C ATOM 241 O ALA A 19 -8.692 5.364 1.738 1.00 0.00 O ATOM 242 CB ALA A 19 -6.974 5.797 4.282 1.00 0.00 C ATOM 0 H ALA A 19 -8.440 3.848 4.651 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.887 6.652 4.710 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.524 6.745 3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.758 5.604 5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.559 4.994 3.673 1.00 0.00 H new ATOM 248 N SER A 20 -9.206 7.454 2.395 1.00 0.00 N ATOM 249 CA SER A 20 -9.550 7.910 1.054 1.00 0.00 C ATOM 250 C SER A 20 -8.320 7.916 0.150 1.00 0.00 C ATOM 251 O SER A 20 -7.189 7.794 0.621 1.00 0.00 O ATOM 252 CB SER A 20 -10.163 9.310 1.109 1.00 0.00 C ATOM 253 OG SER A 20 -10.908 9.587 -0.064 1.00 0.00 O ATOM 0 H SER A 20 -9.302 8.166 3.119 1.00 0.00 H new ATOM 0 HA SER A 20 -10.282 7.217 0.639 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.810 9.393 1.982 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.373 10.052 1.226 1.00 0.00 H new ATOM 0 HG SER A 20 -11.291 10.487 -0.003 1.00 0.00 H new ATOM 259 N ASP A 21 -8.550 8.059 -1.150 1.00 0.00 N ATOM 260 CA ASP A 21 -7.463 8.083 -2.121 1.00 0.00 C ATOM 261 C ASP A 21 -6.334 8.996 -1.651 1.00 0.00 C ATOM 262 O ASP A 21 -5.210 8.546 -1.434 1.00 0.00 O ATOM 263 CB ASP A 21 -7.977 8.548 -3.484 1.00 0.00 C ATOM 264 CG ASP A 21 -8.817 7.493 -4.177 1.00 0.00 C ATOM 265 OD1 ASP A 21 -9.766 6.981 -3.547 1.00 0.00 O ATOM 266 OD2 ASP A 21 -8.526 7.180 -5.350 1.00 0.00 O ATOM 0 H ASP A 21 -9.480 8.160 -1.556 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.072 7.070 -2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.570 9.454 -3.356 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.130 8.809 -4.119 1.00 0.00 H new ATOM 271 N GLU A 22 -6.643 10.280 -1.498 1.00 0.00 N ATOM 272 CA GLU A 22 -5.654 11.255 -1.055 1.00 0.00 C ATOM 273 C GLU A 22 -4.786 10.682 0.061 1.00 0.00 C ATOM 274 O GLU A 22 -3.560 10.644 -0.049 1.00 0.00 O ATOM 275 CB GLU A 22 -6.345 12.533 -0.574 1.00 0.00 C ATOM 276 CG GLU A 22 -5.514 13.788 -0.780 1.00 0.00 C ATOM 277 CD GLU A 22 -5.766 14.440 -2.126 1.00 0.00 C ATOM 278 OE1 GLU A 22 -5.444 13.814 -3.157 1.00 0.00 O ATOM 279 OE2 GLU A 22 -6.285 15.576 -2.148 1.00 0.00 O ATOM 0 H GLU A 22 -7.569 10.669 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.013 11.494 -1.903 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.293 12.644 -1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.580 12.432 0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.738 14.502 0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.457 13.537 -0.694 1.00 0.00 H new ATOM 286 N ASP A 23 -5.430 10.237 1.134 1.00 0.00 N ATOM 287 CA ASP A 23 -4.718 9.665 2.271 1.00 0.00 C ATOM 288 C ASP A 23 -3.777 8.553 1.819 1.00 0.00 C ATOM 289 O ASP A 23 -2.574 8.599 2.078 1.00 0.00 O ATOM 290 CB ASP A 23 -5.710 9.124 3.301 1.00 0.00 C ATOM 291 CG ASP A 23 -5.171 9.194 4.717 1.00 0.00 C ATOM 292 OD1 ASP A 23 -4.132 9.855 4.923 1.00 0.00 O ATOM 293 OD2 ASP A 23 -5.788 8.587 5.618 1.00 0.00 O ATOM 0 H ASP A 23 -6.444 10.261 1.241 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.124 10.454 2.731 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.638 9.692 3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.953 8.089 3.059 1.00 0.00 H new ATOM 298 N LEU A 24 -4.333 7.553 1.143 1.00 0.00 N ATOM 299 CA LEU A 24 -3.544 6.427 0.655 1.00 0.00 C ATOM 300 C LEU A 24 -2.325 6.913 -0.123 1.00 0.00 C ATOM 301 O LEU A 24 -1.258 6.301 -0.071 1.00 0.00 O ATOM 302 CB LEU A 24 -4.403 5.524 -0.232 1.00 0.00 C ATOM 303 CG LEU A 24 -5.704 5.014 0.389 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.708 4.656 -0.695 1.00 0.00 C ATOM 305 CD2 LEU A 24 -5.434 3.815 1.286 1.00 0.00 C ATOM 0 H LEU A 24 -5.327 7.499 0.920 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.198 5.856 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.648 6.070 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.804 4.663 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.129 5.810 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.628 4.295 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.925 5.539 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.292 3.877 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.371 3.466 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.986 3.014 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.751 4.105 2.085 1.00 0.00 H new ATOM 317 N LYS A 25 -2.491 8.018 -0.842 1.00 0.00 N ATOM 318 CA LYS A 25 -1.404 8.589 -1.629 1.00 0.00 C ATOM 319 C LYS A 25 -0.298 9.122 -0.723 1.00 0.00 C ATOM 320 O LYS A 25 0.795 8.559 -0.663 1.00 0.00 O ATOM 321 CB LYS A 25 -1.931 9.713 -2.524 1.00 0.00 C ATOM 322 CG LYS A 25 -0.864 10.337 -3.407 1.00 0.00 C ATOM 323 CD LYS A 25 -0.754 9.618 -4.741 1.00 0.00 C ATOM 324 CE LYS A 25 -1.682 10.227 -5.781 1.00 0.00 C ATOM 325 NZ LYS A 25 -3.096 9.805 -5.579 1.00 0.00 N ATOM 0 H LYS A 25 -3.368 8.536 -0.896 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.988 7.799 -2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.729 9.320 -3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.372 10.489 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.100 11.387 -3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.098 10.305 -2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.275 9.666 -5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.997 8.564 -4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.617 11.314 -5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.354 9.932 -6.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.656 10.054 -6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.133 8.776 -5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.487 10.290 -4.746 1.00 0.00 H new ATOM 339 N LYS A 26 -0.591 10.209 -0.018 1.00 0.00 N ATOM 340 CA LYS A 26 0.377 10.818 0.888 1.00 0.00 C ATOM 341 C LYS A 26 1.171 9.749 1.633 1.00 0.00 C ATOM 342 O LYS A 26 2.400 9.721 1.572 1.00 0.00 O ATOM 343 CB LYS A 26 -0.335 11.730 1.889 1.00 0.00 C ATOM 344 CG LYS A 26 -1.188 12.803 1.235 1.00 0.00 C ATOM 345 CD LYS A 26 -1.684 13.818 2.251 1.00 0.00 C ATOM 346 CE LYS A 26 -3.024 14.409 1.841 1.00 0.00 C ATOM 347 NZ LYS A 26 -4.167 13.618 2.376 1.00 0.00 N ATOM 0 H LYS A 26 -1.491 10.687 -0.056 1.00 0.00 H new ATOM 0 HA LYS A 26 1.070 11.413 0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.966 11.122 2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.410 12.208 2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.607 13.311 0.465 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.040 12.339 0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.779 13.341 3.227 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.950 14.617 2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.093 15.436 2.201 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.086 14.447 0.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.062 14.053 2.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.116 12.645 2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.122 13.603 3.415 1.00 0.00 H new ATOM 361 N ALA A 27 0.461 8.872 2.334 1.00 0.00 N ATOM 362 CA ALA A 27 1.100 7.800 3.087 1.00 0.00 C ATOM 363 C ALA A 27 1.933 6.908 2.174 1.00 0.00 C ATOM 364 O ALA A 27 3.052 6.524 2.517 1.00 0.00 O ATOM 365 CB ALA A 27 0.054 6.975 3.822 1.00 0.00 C ATOM 0 H ALA A 27 -0.557 8.883 2.396 1.00 0.00 H new ATOM 0 HA ALA A 27 1.770 8.253 3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.545 6.178 4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.496 7.615 4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.638 6.540 3.101 1.00 0.00 H new ATOM 371 N TYR A 28 1.382 6.582 1.010 1.00 0.00 N ATOM 372 CA TYR A 28 2.074 5.733 0.048 1.00 0.00 C ATOM 373 C TYR A 28 3.424 6.332 -0.337 1.00 0.00 C ATOM 374 O TYR A 28 4.465 5.692 -0.187 1.00 0.00 O ATOM 375 CB TYR A 28 1.215 5.538 -1.203 1.00 0.00 C ATOM 376 CG TYR A 28 1.942 4.850 -2.336 1.00 0.00 C ATOM 377 CD1 TYR A 28 2.671 3.687 -2.115 1.00 0.00 C ATOM 378 CD2 TYR A 28 1.900 5.361 -3.627 1.00 0.00 C ATOM 379 CE1 TYR A 28 3.337 3.055 -3.147 1.00 0.00 C ATOM 380 CE2 TYR A 28 2.562 4.735 -4.666 1.00 0.00 C ATOM 381 CZ TYR A 28 3.280 3.583 -4.420 1.00 0.00 C ATOM 382 OH TYR A 28 3.941 2.956 -5.451 1.00 0.00 O ATOM 0 H TYR A 28 0.458 6.893 0.710 1.00 0.00 H new ATOM 0 HA TYR A 28 2.247 4.764 0.517 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.333 4.954 -0.940 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.862 6.510 -1.546 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.717 3.271 -1.120 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.340 6.264 -3.822 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.899 2.152 -2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.518 5.145 -5.664 1.00 0.00 H new ATOM 0 HH TYR A 28 3.799 3.455 -6.282 1.00 0.00 H new ATOM 392 N ARG A 29 3.397 7.565 -0.831 1.00 0.00 N ATOM 393 CA ARG A 29 4.617 8.252 -1.238 1.00 0.00 C ATOM 394 C ARG A 29 5.606 8.334 -0.079 1.00 0.00 C ATOM 395 O ARG A 29 6.745 7.881 -0.189 1.00 0.00 O ATOM 396 CB ARG A 29 4.291 9.657 -1.746 1.00 0.00 C ATOM 397 CG ARG A 29 3.383 9.669 -2.964 1.00 0.00 C ATOM 398 CD ARG A 29 3.298 11.056 -3.583 1.00 0.00 C ATOM 399 NE ARG A 29 2.628 11.037 -4.880 1.00 0.00 N ATOM 400 CZ ARG A 29 2.629 12.063 -5.723 1.00 0.00 C ATOM 401 NH1 ARG A 29 3.262 13.184 -5.407 1.00 0.00 N ATOM 402 NH2 ARG A 29 1.996 11.969 -6.886 1.00 0.00 N ATOM 0 H ARG A 29 2.544 8.109 -0.959 1.00 0.00 H new ATOM 0 HA ARG A 29 5.076 7.680 -2.044 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.817 10.223 -0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.221 10.170 -1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.756 8.961 -3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.385 9.335 -2.679 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.761 11.722 -2.908 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.302 11.463 -3.700 1.00 0.00 H new ATOM 0 HE ARG A 29 2.132 10.189 -5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.750 13.260 -4.514 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.261 13.971 -6.056 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.508 11.108 -7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.997 12.758 -7.533 1.00 0.00 H new ATOM 416 N ARG A 30 5.163 8.917 1.030 1.00 0.00 N ATOM 417 CA ARG A 30 6.009 9.061 2.208 1.00 0.00 C ATOM 418 C ARG A 30 6.903 7.838 2.388 1.00 0.00 C ATOM 419 O ARG A 30 8.004 7.935 2.934 1.00 0.00 O ATOM 420 CB ARG A 30 5.150 9.267 3.457 1.00 0.00 C ATOM 421 CG ARG A 30 5.933 9.171 4.757 1.00 0.00 C ATOM 422 CD ARG A 30 5.024 8.840 5.931 1.00 0.00 C ATOM 423 NE ARG A 30 4.499 10.042 6.572 1.00 0.00 N ATOM 424 CZ ARG A 30 3.712 10.020 7.642 1.00 0.00 C ATOM 425 NH1 ARG A 30 3.362 8.864 8.188 1.00 0.00 N ATOM 426 NH2 ARG A 30 3.273 11.157 8.168 1.00 0.00 N ATOM 0 H ARG A 30 4.223 9.297 1.137 1.00 0.00 H new ATOM 0 HA ARG A 30 6.644 9.935 2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.672 10.245 3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.353 8.523 3.467 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.703 8.405 4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.444 10.115 4.946 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.195 8.222 5.585 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.577 8.251 6.663 1.00 0.00 H new ATOM 0 HE ARG A 30 4.750 10.948 6.177 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.697 7.988 7.787 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.758 8.850 9.010 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.540 12.049 7.751 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.669 11.139 8.990 1.00 0.00 H new ATOM 440 N LEU A 31 6.424 6.688 1.927 1.00 0.00 N ATOM 441 CA LEU A 31 7.179 5.445 2.037 1.00 0.00 C ATOM 442 C LEU A 31 8.081 5.247 0.823 1.00 0.00 C ATOM 443 O LEU A 31 9.294 5.090 0.958 1.00 0.00 O ATOM 444 CB LEU A 31 6.226 4.257 2.178 1.00 0.00 C ATOM 445 CG LEU A 31 5.233 4.327 3.339 1.00 0.00 C ATOM 446 CD1 LEU A 31 4.238 3.180 3.259 1.00 0.00 C ATOM 447 CD2 LEU A 31 5.968 4.307 4.671 1.00 0.00 C ATOM 0 H LEU A 31 5.516 6.591 1.473 1.00 0.00 H new ATOM 0 HA LEU A 31 7.806 5.507 2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.663 4.157 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.821 3.351 2.289 1.00 0.00 H new ATOM 0 HG LEU A 31 4.682 5.265 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.539 3.246 4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.689 3.240 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.772 2.231 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.246 4.358 5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.545 3.386 4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.640 5.163 4.728 1.00 0.00 H new ATOM 459 N ALA A 32 7.481 5.257 -0.362 1.00 0.00 N ATOM 460 CA ALA A 32 8.230 5.083 -1.600 1.00 0.00 C ATOM 461 C ALA A 32 9.611 5.723 -1.501 1.00 0.00 C ATOM 462 O ALA A 32 10.616 5.116 -1.873 1.00 0.00 O ATOM 463 CB ALA A 32 7.457 5.670 -2.772 1.00 0.00 C ATOM 0 H ALA A 32 6.477 5.384 -0.491 1.00 0.00 H new ATOM 0 HA ALA A 32 8.365 4.014 -1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.028 5.533 -3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.496 5.164 -2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.292 6.734 -2.603 1.00 0.00 H new ATOM 469 N LEU A 33 9.653 6.952 -0.998 1.00 0.00 N ATOM 470 CA LEU A 33 10.911 7.675 -0.850 1.00 0.00 C ATOM 471 C LEU A 33 11.846 6.950 0.113 1.00 0.00 C ATOM 472 O LEU A 33 13.034 6.784 -0.165 1.00 0.00 O ATOM 473 CB LEU A 33 10.649 9.097 -0.350 1.00 0.00 C ATOM 474 CG LEU A 33 10.028 10.060 -1.362 1.00 0.00 C ATOM 475 CD1 LEU A 33 8.511 10.028 -1.268 1.00 0.00 C ATOM 476 CD2 LEU A 33 10.548 11.473 -1.141 1.00 0.00 C ATOM 0 H LEU A 33 8.831 7.468 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 33 11.391 7.722 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.992 9.040 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.593 9.520 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 33 10.316 9.740 -2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.087 10.720 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.155 9.019 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.202 10.322 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.096 12.145 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.290 11.802 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.631 11.485 -1.260 1.00 0.00 H new ATOM 488 N LYS A 34 11.302 6.517 1.245 1.00 0.00 N ATOM 489 CA LYS A 34 12.086 5.806 2.248 1.00 0.00 C ATOM 490 C LYS A 34 12.516 4.436 1.732 1.00 0.00 C ATOM 491 O LYS A 34 13.502 3.867 2.199 1.00 0.00 O ATOM 492 CB LYS A 34 11.277 5.646 3.537 1.00 0.00 C ATOM 493 CG LYS A 34 11.958 4.774 4.578 1.00 0.00 C ATOM 494 CD LYS A 34 11.566 3.314 4.426 1.00 0.00 C ATOM 495 CE LYS A 34 11.915 2.510 5.669 1.00 0.00 C ATOM 496 NZ LYS A 34 11.092 2.917 6.841 1.00 0.00 N ATOM 0 H LYS A 34 10.321 6.646 1.491 1.00 0.00 H new ATOM 0 HA LYS A 34 12.980 6.393 2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.093 6.631 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.305 5.216 3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.040 4.873 4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.691 5.121 5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.496 3.242 4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.075 2.888 3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.764 1.449 5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.971 2.643 5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.101 2.158 7.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.485 3.785 7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.114 3.092 6.534 1.00 0.00 H new ATOM 510 N PHE A 35 11.770 3.912 0.765 1.00 0.00 N ATOM 511 CA PHE A 35 12.074 2.609 0.185 1.00 0.00 C ATOM 512 C PHE A 35 12.501 2.749 -1.273 1.00 0.00 C ATOM 513 O PHE A 35 12.542 1.768 -2.017 1.00 0.00 O ATOM 514 CB PHE A 35 10.859 1.686 0.286 1.00 0.00 C ATOM 515 CG PHE A 35 10.557 1.244 1.690 1.00 0.00 C ATOM 516 CD1 PHE A 35 11.428 0.409 2.370 1.00 0.00 C ATOM 517 CD2 PHE A 35 9.401 1.663 2.329 1.00 0.00 C ATOM 518 CE1 PHE A 35 11.154 0.000 3.661 1.00 0.00 C ATOM 519 CE2 PHE A 35 9.121 1.258 3.620 1.00 0.00 C ATOM 520 CZ PHE A 35 9.998 0.425 4.287 1.00 0.00 C ATOM 0 H PHE A 35 10.950 4.370 0.366 1.00 0.00 H new ATOM 0 HA PHE A 35 12.900 2.173 0.747 1.00 0.00 H new ATOM 0 HB2 PHE A 35 9.988 2.200 -0.120 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.028 0.806 -0.335 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.333 0.073 1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 35 8.711 2.314 1.812 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.842 -0.651 4.180 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.217 1.593 4.107 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.781 0.107 5.296 1.00 0.00 H new ATOM 530 N HIS A 36 12.817 3.976 -1.676 1.00 0.00 N ATOM 531 CA HIS A 36 13.240 4.246 -3.046 1.00 0.00 C ATOM 532 C HIS A 36 14.672 3.772 -3.275 1.00 0.00 C ATOM 533 O HIS A 36 15.543 3.909 -2.414 1.00 0.00 O ATOM 534 CB HIS A 36 13.130 5.740 -3.351 1.00 0.00 C ATOM 535 CG HIS A 36 12.833 6.037 -4.789 1.00 0.00 C ATOM 536 ND1 HIS A 36 13.794 6.456 -5.684 1.00 0.00 N ATOM 537 CD2 HIS A 36 11.675 5.971 -5.485 1.00 0.00 C ATOM 538 CE1 HIS A 36 13.239 6.638 -6.869 1.00 0.00 C ATOM 539 NE2 HIS A 36 11.953 6.350 -6.775 1.00 0.00 N ATOM 0 H HIS A 36 12.788 4.799 -1.074 1.00 0.00 H new ATOM 0 HA HIS A 36 12.582 3.696 -3.719 1.00 0.00 H new ATOM 0 HB2 HIS A 36 12.346 6.173 -2.730 1.00 0.00 H new ATOM 0 HB3 HIS A 36 14.064 6.229 -3.073 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.711 5.675 -5.098 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.750 6.966 -7.762 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.277 6.401 -7.537 1.00 0.00 H new ATOM 547 N PRO A 37 14.924 3.199 -4.461 1.00 0.00 N ATOM 548 CA PRO A 37 16.250 2.693 -4.830 1.00 0.00 C ATOM 549 C PRO A 37 17.259 3.816 -5.047 1.00 0.00 C ATOM 550 O PRO A 37 18.466 3.578 -5.089 1.00 0.00 O ATOM 551 CB PRO A 37 15.991 1.946 -6.141 1.00 0.00 C ATOM 552 CG PRO A 37 14.775 2.590 -6.711 1.00 0.00 C ATOM 553 CD PRO A 37 13.935 3.003 -5.534 1.00 0.00 C ATOM 0 HA PRO A 37 16.682 2.071 -4.046 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.839 2.032 -6.820 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.830 0.882 -5.965 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.040 3.452 -7.323 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.232 1.898 -7.354 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.378 3.917 -5.739 1.00 0.00 H new ATOM 0 HD3 PRO A 37 13.205 2.237 -5.273 1.00 0.00 H new ATOM 561 N ASP A 38 16.757 5.038 -5.184 1.00 0.00 N ATOM 562 CA ASP A 38 17.616 6.198 -5.395 1.00 0.00 C ATOM 563 C ASP A 38 17.799 6.981 -4.098 1.00 0.00 C ATOM 564 O ASP A 38 18.697 7.816 -3.986 1.00 0.00 O ATOM 565 CB ASP A 38 17.026 7.106 -6.475 1.00 0.00 C ATOM 566 CG ASP A 38 17.525 8.533 -6.367 1.00 0.00 C ATOM 567 OD1 ASP A 38 18.758 8.731 -6.346 1.00 0.00 O ATOM 568 OD2 ASP A 38 16.683 9.453 -6.304 1.00 0.00 O ATOM 0 H ASP A 38 15.760 5.251 -5.153 1.00 0.00 H new ATOM 0 HA ASP A 38 18.592 5.842 -5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.280 6.709 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.939 7.098 -6.399 1.00 0.00 H new ATOM 573 N LYS A 39 16.942 6.707 -3.121 1.00 0.00 N ATOM 574 CA LYS A 39 17.008 7.384 -1.832 1.00 0.00 C ATOM 575 C LYS A 39 17.746 6.530 -0.806 1.00 0.00 C ATOM 576 O LYS A 39 18.664 7.003 -0.136 1.00 0.00 O ATOM 577 CB LYS A 39 15.599 7.704 -1.327 1.00 0.00 C ATOM 578 CG LYS A 39 14.925 8.836 -2.082 1.00 0.00 C ATOM 579 CD LYS A 39 15.214 10.183 -1.441 1.00 0.00 C ATOM 580 CE LYS A 39 14.582 11.321 -2.228 1.00 0.00 C ATOM 581 NZ LYS A 39 15.492 11.833 -3.290 1.00 0.00 N ATOM 0 H LYS A 39 16.192 6.020 -3.198 1.00 0.00 H new ATOM 0 HA LYS A 39 17.558 8.315 -1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.982 6.809 -1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.651 7.964 -0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.271 8.842 -3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.848 8.667 -2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.834 10.190 -0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.292 10.335 -1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.652 10.977 -2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.324 12.133 -1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.025 12.607 -3.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.369 12.185 -2.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.718 11.065 -3.953 1.00 0.00 H new ATOM 595 N ASN A 40 17.339 5.271 -0.689 1.00 0.00 N ATOM 596 CA ASN A 40 17.963 4.350 0.256 1.00 0.00 C ATOM 597 C ASN A 40 19.333 3.904 -0.244 1.00 0.00 C ATOM 598 O ASN A 40 19.684 4.121 -1.405 1.00 0.00 O ATOM 599 CB ASN A 40 17.067 3.131 0.479 1.00 0.00 C ATOM 600 CG ASN A 40 17.224 2.544 1.868 1.00 0.00 C ATOM 601 OD1 ASN A 40 16.119 2.087 2.446 1.00 0.00 O flip ATOM 602 ND2 ASN A 40 18.326 2.503 2.416 1.00 0.00 N flip ATOM 0 H ASN A 40 16.580 4.864 -1.236 1.00 0.00 H new ATOM 0 HA ASN A 40 18.094 4.874 1.203 1.00 0.00 H new ATOM 0 HB2 ASN A 40 16.026 3.415 0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 40 17.304 2.369 -0.263 1.00 0.00 H new ATOM 0 HD21 ASN A 40 19.149 2.866 1.935 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.416 2.106 3.351 1.00 0.00 H new ATOM 650 N GLY A 44 17.841 -4.170 0.162 1.00 0.00 N ATOM 651 CA GLY A 44 16.831 -4.828 0.970 1.00 0.00 C ATOM 652 C GLY A 44 15.582 -3.985 1.135 1.00 0.00 C ATOM 653 O GLY A 44 14.469 -4.466 0.926 1.00 0.00 O ATOM 0 HA2 GLY A 44 16.565 -5.780 0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.246 -5.054 1.952 1.00 0.00 H new ATOM 657 N ALA A 45 15.766 -2.725 1.514 1.00 0.00 N ATOM 658 CA ALA A 45 14.645 -1.813 1.707 1.00 0.00 C ATOM 659 C ALA A 45 13.926 -1.541 0.390 1.00 0.00 C ATOM 660 O ALA A 45 12.696 -1.494 0.340 1.00 0.00 O ATOM 661 CB ALA A 45 15.125 -0.510 2.327 1.00 0.00 C ATOM 0 H ALA A 45 16.681 -2.312 1.694 1.00 0.00 H new ATOM 0 HA ALA A 45 13.937 -2.286 2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.277 0.161 2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.587 -0.715 3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.855 -0.041 1.668 1.00 0.00 H new ATOM 667 N THR A 46 14.700 -1.362 -0.676 1.00 0.00 N ATOM 668 CA THR A 46 14.136 -1.093 -1.993 1.00 0.00 C ATOM 669 C THR A 46 13.181 -2.201 -2.419 1.00 0.00 C ATOM 670 O THR A 46 12.002 -1.954 -2.671 1.00 0.00 O ATOM 671 CB THR A 46 15.241 -0.945 -3.057 1.00 0.00 C ATOM 672 OG1 THR A 46 16.193 0.040 -2.641 1.00 0.00 O ATOM 673 CG2 THR A 46 14.648 -0.550 -4.401 1.00 0.00 C ATOM 0 H THR A 46 15.719 -1.398 -0.653 1.00 0.00 H new ATOM 0 HA THR A 46 13.587 -0.154 -1.916 1.00 0.00 H new ATOM 0 HB THR A 46 15.740 -1.908 -3.167 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.971 0.015 -3.236 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.447 -0.451 -5.136 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.946 -1.317 -4.728 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.126 0.402 -4.303 1.00 0.00 H new ATOM 681 N GLU A 47 13.697 -3.424 -2.497 1.00 0.00 N ATOM 682 CA GLU A 47 12.887 -4.570 -2.893 1.00 0.00 C ATOM 683 C GLU A 47 11.493 -4.490 -2.279 1.00 0.00 C ATOM 684 O GLU A 47 10.519 -4.971 -2.858 1.00 0.00 O ATOM 685 CB GLU A 47 13.569 -5.874 -2.472 1.00 0.00 C ATOM 686 CG GLU A 47 14.875 -6.141 -3.200 1.00 0.00 C ATOM 687 CD GLU A 47 14.679 -6.929 -4.481 1.00 0.00 C ATOM 688 OE1 GLU A 47 14.514 -8.164 -4.399 1.00 0.00 O ATOM 689 OE2 GLU A 47 14.689 -6.309 -5.565 1.00 0.00 O ATOM 0 H GLU A 47 14.671 -3.646 -2.291 1.00 0.00 H new ATOM 0 HA GLU A 47 12.787 -4.554 -3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.760 -5.844 -1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.887 -6.705 -2.651 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.358 -5.192 -3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.549 -6.688 -2.541 1.00 0.00 H new ATOM 696 N ALA A 48 11.406 -3.880 -1.102 1.00 0.00 N ATOM 697 CA ALA A 48 10.132 -3.735 -0.409 1.00 0.00 C ATOM 698 C ALA A 48 9.221 -2.750 -1.134 1.00 0.00 C ATOM 699 O ALA A 48 8.021 -2.987 -1.275 1.00 0.00 O ATOM 700 CB ALA A 48 10.360 -3.287 1.027 1.00 0.00 C ATOM 0 H ALA A 48 12.203 -3.478 -0.608 1.00 0.00 H new ATOM 0 HA ALA A 48 9.639 -4.707 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.400 -3.183 1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.966 -4.029 1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.878 -2.328 1.031 1.00 0.00 H new ATOM 706 N PHE A 49 9.799 -1.644 -1.591 1.00 0.00 N ATOM 707 CA PHE A 49 9.038 -0.621 -2.300 1.00 0.00 C ATOM 708 C PHE A 49 8.095 -1.254 -3.319 1.00 0.00 C ATOM 709 O PHE A 49 6.917 -0.904 -3.393 1.00 0.00 O ATOM 710 CB PHE A 49 9.986 0.354 -3.002 1.00 0.00 C ATOM 711 CG PHE A 49 9.282 1.332 -3.899 1.00 0.00 C ATOM 712 CD1 PHE A 49 8.016 1.795 -3.583 1.00 0.00 C ATOM 713 CD2 PHE A 49 9.888 1.788 -5.059 1.00 0.00 C ATOM 714 CE1 PHE A 49 7.366 2.696 -4.406 1.00 0.00 C ATOM 715 CE2 PHE A 49 9.243 2.689 -5.885 1.00 0.00 C ATOM 716 CZ PHE A 49 7.980 3.142 -5.559 1.00 0.00 C ATOM 0 H PHE A 49 10.791 -1.433 -1.483 1.00 0.00 H new ATOM 0 HA PHE A 49 8.441 -0.075 -1.569 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.551 0.904 -2.250 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.707 -0.213 -3.591 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.530 1.448 -2.683 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.875 1.435 -5.320 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.379 3.050 -4.147 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.727 3.039 -6.785 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.474 3.844 -6.205 1.00 0.00 H new ATOM 726 N LYS A 50 8.622 -2.187 -4.104 1.00 0.00 N ATOM 727 CA LYS A 50 7.829 -2.871 -5.119 1.00 0.00 C ATOM 728 C LYS A 50 6.559 -3.459 -4.513 1.00 0.00 C ATOM 729 O LYS A 50 5.519 -3.520 -5.167 1.00 0.00 O ATOM 730 CB LYS A 50 8.653 -3.979 -5.779 1.00 0.00 C ATOM 731 CG LYS A 50 9.691 -3.463 -6.760 1.00 0.00 C ATOM 732 CD LYS A 50 9.105 -3.292 -8.152 1.00 0.00 C ATOM 733 CE LYS A 50 10.060 -2.543 -9.070 1.00 0.00 C ATOM 734 NZ LYS A 50 9.347 -1.909 -10.213 1.00 0.00 N ATOM 0 H LYS A 50 9.596 -2.487 -4.057 1.00 0.00 H new ATOM 0 HA LYS A 50 7.544 -2.139 -5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.154 -4.558 -5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.980 -4.660 -6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.082 -2.508 -6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.531 -4.156 -6.800 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.882 -4.271 -8.577 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.161 -2.751 -8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.586 -1.777 -8.500 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.814 -3.232 -9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.032 -1.409 -10.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.866 -2.642 -10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.645 -1.232 -9.852 1.00 0.00 H new ATOM 748 N ALA A 51 6.652 -3.889 -3.259 1.00 0.00 N ATOM 749 CA ALA A 51 5.510 -4.469 -2.564 1.00 0.00 C ATOM 750 C ALA A 51 4.489 -3.397 -2.196 1.00 0.00 C ATOM 751 O ALA A 51 3.283 -3.643 -2.215 1.00 0.00 O ATOM 752 CB ALA A 51 5.971 -5.211 -1.318 1.00 0.00 C ATOM 0 H ALA A 51 7.507 -3.847 -2.704 1.00 0.00 H new ATOM 0 HA ALA A 51 5.028 -5.177 -3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.107 -5.639 -0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.657 -6.009 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.480 -4.517 -0.649 1.00 0.00 H new ATOM 758 N ILE A 52 4.981 -2.209 -1.860 1.00 0.00 N ATOM 759 CA ILE A 52 4.111 -1.100 -1.488 1.00 0.00 C ATOM 760 C ILE A 52 3.213 -0.692 -2.651 1.00 0.00 C ATOM 761 O ILE A 52 1.991 -0.812 -2.577 1.00 0.00 O ATOM 762 CB ILE A 52 4.924 0.124 -1.028 1.00 0.00 C ATOM 763 CG1 ILE A 52 6.075 -0.313 -0.120 1.00 0.00 C ATOM 764 CG2 ILE A 52 4.024 1.118 -0.310 1.00 0.00 C ATOM 765 CD1 ILE A 52 6.766 0.838 0.577 1.00 0.00 C ATOM 0 H ILE A 52 5.977 -1.990 -1.838 1.00 0.00 H new ATOM 0 HA ILE A 52 3.494 -1.448 -0.660 1.00 0.00 H new ATOM 0 HB ILE A 52 5.345 0.613 -1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.692 -1.005 0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.807 -0.860 -0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.613 1.978 0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.236 1.449 -0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.577 0.640 0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.571 0.454 1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.179 1.519 -0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.047 1.372 1.198 1.00 0.00 H new ATOM 777 N GLY A 53 3.829 -0.210 -3.726 1.00 0.00 N ATOM 778 CA GLY A 53 3.070 0.207 -4.891 1.00 0.00 C ATOM 779 C GLY A 53 1.903 -0.715 -5.183 1.00 0.00 C ATOM 780 O GLY A 53 0.846 -0.269 -5.631 1.00 0.00 O ATOM 0 H GLY A 53 4.840 -0.101 -3.811 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.699 1.220 -4.735 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.730 0.239 -5.758 1.00 0.00 H new ATOM 784 N THR A 54 2.093 -2.006 -4.931 1.00 0.00 N ATOM 785 CA THR A 54 1.049 -2.994 -5.173 1.00 0.00 C ATOM 786 C THR A 54 -0.129 -2.792 -4.226 1.00 0.00 C ATOM 787 O THR A 54 -1.286 -2.893 -4.631 1.00 0.00 O ATOM 788 CB THR A 54 1.585 -4.429 -5.009 1.00 0.00 C ATOM 789 OG1 THR A 54 2.687 -4.645 -5.897 1.00 0.00 O ATOM 790 CG2 THR A 54 0.492 -5.450 -5.290 1.00 0.00 C ATOM 0 H THR A 54 2.961 -2.392 -4.559 1.00 0.00 H new ATOM 0 HA THR A 54 0.714 -2.855 -6.201 1.00 0.00 H new ATOM 0 HB THR A 54 1.920 -4.553 -3.979 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.493 -4.231 -5.525 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.894 -6.456 -5.168 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.333 -5.302 -4.593 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.131 -5.325 -6.311 1.00 0.00 H new ATOM 798 N ALA A 55 0.175 -2.505 -2.965 1.00 0.00 N ATOM 799 CA ALA A 55 -0.860 -2.286 -1.961 1.00 0.00 C ATOM 800 C ALA A 55 -1.624 -0.996 -2.234 1.00 0.00 C ATOM 801 O ALA A 55 -2.853 -0.996 -2.317 1.00 0.00 O ATOM 802 CB ALA A 55 -0.246 -2.255 -0.569 1.00 0.00 C ATOM 0 H ALA A 55 1.129 -2.419 -2.614 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.567 -3.114 -2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.030 -2.091 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.249 -3.205 -0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.483 -1.447 -0.511 1.00 0.00 H new ATOM 808 N TYR A 56 -0.891 0.103 -2.372 1.00 0.00 N ATOM 809 CA TYR A 56 -1.501 1.402 -2.632 1.00 0.00 C ATOM 810 C TYR A 56 -2.450 1.328 -3.824 1.00 0.00 C ATOM 811 O TYR A 56 -3.613 1.722 -3.731 1.00 0.00 O ATOM 812 CB TYR A 56 -0.420 2.453 -2.891 1.00 0.00 C ATOM 813 CG TYR A 56 -0.927 3.674 -3.625 1.00 0.00 C ATOM 814 CD1 TYR A 56 -1.531 4.721 -2.939 1.00 0.00 C ATOM 815 CD2 TYR A 56 -0.801 3.781 -5.005 1.00 0.00 C ATOM 816 CE1 TYR A 56 -1.996 5.838 -3.606 1.00 0.00 C ATOM 817 CE2 TYR A 56 -1.262 4.895 -5.680 1.00 0.00 C ATOM 818 CZ TYR A 56 -1.859 5.920 -4.977 1.00 0.00 C ATOM 819 OH TYR A 56 -2.320 7.031 -5.644 1.00 0.00 O ATOM 0 H TYR A 56 0.127 0.121 -2.308 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.075 1.690 -1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.008 2.764 -1.938 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.385 2.000 -3.470 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.639 4.660 -1.866 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.335 2.980 -5.559 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.464 6.642 -3.058 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.155 4.963 -6.753 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.146 6.932 -6.603 1.00 0.00 H new ATOM 829 N ALA A 57 -1.946 0.820 -4.944 1.00 0.00 N ATOM 830 CA ALA A 57 -2.749 0.692 -6.154 1.00 0.00 C ATOM 831 C ALA A 57 -4.118 0.098 -5.844 1.00 0.00 C ATOM 832 O ALA A 57 -5.148 0.643 -6.243 1.00 0.00 O ATOM 833 CB ALA A 57 -2.021 -0.162 -7.182 1.00 0.00 C ATOM 0 H ALA A 57 -0.985 0.490 -5.038 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.900 1.689 -6.567 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.632 -0.249 -8.081 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.069 0.305 -7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.840 -1.154 -6.768 1.00 0.00 H new ATOM 839 N VAL A 58 -4.124 -1.023 -5.130 1.00 0.00 N ATOM 840 CA VAL A 58 -5.368 -1.691 -4.766 1.00 0.00 C ATOM 841 C VAL A 58 -6.330 -0.727 -4.082 1.00 0.00 C ATOM 842 O VAL A 58 -7.417 -0.450 -4.592 1.00 0.00 O ATOM 843 CB VAL A 58 -5.109 -2.889 -3.833 1.00 0.00 C ATOM 844 CG1 VAL A 58 -6.423 -3.529 -3.409 1.00 0.00 C ATOM 845 CG2 VAL A 58 -4.205 -3.907 -4.512 1.00 0.00 C ATOM 0 H VAL A 58 -3.281 -1.488 -4.792 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.817 -2.051 -5.692 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.603 -2.528 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.221 -4.374 -2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.032 -2.795 -2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.959 -3.878 -4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.032 -4.747 -3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.682 -4.265 -5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.252 -3.439 -4.760 1.00 0.00 H new ATOM 855 N LEU A 59 -5.924 -0.217 -2.925 1.00 0.00 N ATOM 856 CA LEU A 59 -6.750 0.719 -2.169 1.00 0.00 C ATOM 857 C LEU A 59 -6.915 2.033 -2.926 1.00 0.00 C ATOM 858 O LEU A 59 -7.806 2.827 -2.624 1.00 0.00 O ATOM 859 CB LEU A 59 -6.131 0.982 -0.795 1.00 0.00 C ATOM 860 CG LEU A 59 -5.713 -0.255 0.000 1.00 0.00 C ATOM 861 CD1 LEU A 59 -5.161 0.147 1.359 1.00 0.00 C ATOM 862 CD2 LEU A 59 -6.887 -1.209 0.160 1.00 0.00 C ATOM 0 H LEU A 59 -5.028 -0.435 -2.489 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.735 0.271 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.255 1.617 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.847 1.548 -0.199 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.926 -0.770 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.868 -0.746 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.292 0.791 1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.927 0.685 1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.570 -2.084 0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.696 -0.705 0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.237 -1.523 -0.823 1.00 0.00 H new ATOM 874 N SER A 60 -6.051 2.255 -3.911 1.00 0.00 N ATOM 875 CA SER A 60 -6.100 3.474 -4.710 1.00 0.00 C ATOM 876 C SER A 60 -7.258 3.427 -5.703 1.00 0.00 C ATOM 877 O SER A 60 -7.815 4.459 -6.073 1.00 0.00 O ATOM 878 CB SER A 60 -4.780 3.672 -5.458 1.00 0.00 C ATOM 879 OG SER A 60 -4.985 4.358 -6.681 1.00 0.00 O ATOM 0 H SER A 60 -5.309 1.607 -4.175 1.00 0.00 H new ATOM 0 HA SER A 60 -6.257 4.315 -4.035 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.086 4.234 -4.834 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.320 2.703 -5.653 1.00 0.00 H new ATOM 0 HG SER A 60 -4.126 4.473 -7.139 1.00 0.00 H new ATOM 885 N ASN A 61 -7.615 2.219 -6.129 1.00 0.00 N ATOM 886 CA ASN A 61 -8.706 2.036 -7.079 1.00 0.00 C ATOM 887 C ASN A 61 -10.013 1.730 -6.354 1.00 0.00 C ATOM 888 O ASN A 61 -10.041 1.035 -5.338 1.00 0.00 O ATOM 889 CB ASN A 61 -8.376 0.906 -8.056 1.00 0.00 C ATOM 890 CG ASN A 61 -7.633 1.400 -9.282 1.00 0.00 C ATOM 891 OD1 ASN A 61 -8.186 2.133 -10.103 1.00 0.00 O ATOM 892 ND2 ASN A 61 -6.373 1.000 -9.412 1.00 0.00 N ATOM 0 H ASN A 61 -7.165 1.353 -5.831 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.828 2.965 -7.636 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.773 0.154 -7.547 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.299 0.417 -8.367 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -5.823 1.300 -10.217 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.955 0.393 -8.707 1.00 0.00 H new ATOM 899 N PRO A 62 -11.124 2.261 -6.887 1.00 0.00 N ATOM 900 CA PRO A 62 -12.455 2.058 -6.307 1.00 0.00 C ATOM 901 C PRO A 62 -12.945 0.624 -6.470 1.00 0.00 C ATOM 902 O PRO A 62 -13.861 0.189 -5.773 1.00 0.00 O ATOM 903 CB PRO A 62 -13.340 3.020 -7.105 1.00 0.00 C ATOM 904 CG PRO A 62 -12.634 3.192 -8.406 1.00 0.00 C ATOM 905 CD PRO A 62 -11.166 3.101 -8.096 1.00 0.00 C ATOM 0 HA PRO A 62 -12.464 2.241 -5.232 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.340 2.611 -7.248 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.456 3.973 -6.588 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.931 2.420 -9.116 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.878 4.153 -8.858 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.609 2.651 -8.918 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.731 4.084 -7.917 1.00 0.00 H new ATOM 913 N GLU A 63 -12.329 -0.106 -7.395 1.00 0.00 N ATOM 914 CA GLU A 63 -12.704 -1.492 -7.648 1.00 0.00 C ATOM 915 C GLU A 63 -11.877 -2.446 -6.790 1.00 0.00 C ATOM 916 O GLU A 63 -12.415 -3.351 -6.153 1.00 0.00 O ATOM 917 CB GLU A 63 -12.520 -1.831 -9.129 1.00 0.00 C ATOM 918 CG GLU A 63 -12.891 -3.263 -9.476 1.00 0.00 C ATOM 919 CD GLU A 63 -14.391 -3.486 -9.508 1.00 0.00 C ATOM 920 OE1 GLU A 63 -15.128 -2.525 -9.811 1.00 0.00 O ATOM 921 OE2 GLU A 63 -14.827 -4.623 -9.229 1.00 0.00 O ATOM 0 H GLU A 63 -11.569 0.239 -7.981 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.755 -1.611 -7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.128 -1.152 -9.727 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.481 -1.656 -9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.469 -3.518 -10.448 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.443 -3.937 -8.746 1.00 0.00 H new ATOM 928 N LYS A 64 -10.565 -2.236 -6.780 1.00 0.00 N ATOM 929 CA LYS A 64 -9.662 -3.074 -6.001 1.00 0.00 C ATOM 930 C LYS A 64 -9.730 -2.717 -4.520 1.00 0.00 C ATOM 931 O LYS A 64 -9.212 -3.445 -3.672 1.00 0.00 O ATOM 932 CB LYS A 64 -8.226 -2.920 -6.508 1.00 0.00 C ATOM 933 CG LYS A 64 -8.027 -3.414 -7.931 1.00 0.00 C ATOM 934 CD LYS A 64 -6.574 -3.305 -8.361 1.00 0.00 C ATOM 935 CE LYS A 64 -6.426 -3.449 -9.868 1.00 0.00 C ATOM 936 NZ LYS A 64 -4.997 -3.509 -10.282 1.00 0.00 N ATOM 0 H LYS A 64 -10.103 -1.492 -7.303 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.975 -4.111 -6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.941 -1.869 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.555 -3.467 -5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.353 -4.452 -8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.653 -2.834 -8.609 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.171 -2.343 -8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.987 -4.076 -7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.938 -4.353 -10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.912 -2.608 -10.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.939 -3.607 -11.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.514 -2.636 -9.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.539 -4.326 -9.830 1.00 0.00 H new ATOM 950 N ARG A 65 -10.372 -1.594 -4.215 1.00 0.00 N ATOM 951 CA ARG A 65 -10.508 -1.142 -2.836 1.00 0.00 C ATOM 952 C ARG A 65 -11.792 -1.680 -2.211 1.00 0.00 C ATOM 953 O ARG A 65 -11.755 -2.404 -1.216 1.00 0.00 O ATOM 954 CB ARG A 65 -10.499 0.386 -2.775 1.00 0.00 C ATOM 955 CG ARG A 65 -10.766 0.942 -1.385 1.00 0.00 C ATOM 956 CD ARG A 65 -11.112 2.422 -1.434 1.00 0.00 C ATOM 957 NE ARG A 65 -11.600 2.913 -0.148 1.00 0.00 N ATOM 958 CZ ARG A 65 -12.047 4.148 0.046 1.00 0.00 C ATOM 959 NH1 ARG A 65 -12.068 5.014 -0.959 1.00 0.00 N ATOM 960 NH2 ARG A 65 -12.475 4.520 1.245 1.00 0.00 N ATOM 0 H ARG A 65 -10.806 -0.981 -4.905 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.660 -1.526 -2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.532 0.749 -3.123 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.251 0.773 -3.463 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.585 0.391 -0.923 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.887 0.793 -0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.230 2.991 -1.728 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.870 2.592 -2.198 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.597 2.272 0.645 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.740 4.731 -1.883 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.412 5.962 -0.808 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.461 3.857 2.020 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -12.818 5.469 1.392 1.00 0.00 H new ATOM 974 N LYS A 66 -12.926 -1.321 -2.802 1.00 0.00 N ATOM 975 CA LYS A 66 -14.223 -1.767 -2.306 1.00 0.00 C ATOM 976 C LYS A 66 -14.255 -3.284 -2.155 1.00 0.00 C ATOM 977 O LYS A 66 -14.808 -3.809 -1.188 1.00 0.00 O ATOM 978 CB LYS A 66 -15.337 -1.314 -3.251 1.00 0.00 C ATOM 979 CG LYS A 66 -15.248 -1.931 -4.636 1.00 0.00 C ATOM 980 CD LYS A 66 -15.984 -3.259 -4.704 1.00 0.00 C ATOM 981 CE LYS A 66 -17.445 -3.067 -5.084 1.00 0.00 C ATOM 982 NZ LYS A 66 -17.613 -2.854 -6.548 1.00 0.00 N ATOM 0 H LYS A 66 -12.974 -0.722 -3.626 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.383 -1.318 -1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.301 -1.568 -2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.305 -0.228 -3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.669 -1.243 -5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.202 -2.080 -4.902 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.499 -3.908 -5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.921 -3.761 -3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.018 -3.941 -4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -17.852 -2.212 -4.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.622 -2.727 -6.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.087 -2.005 -6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.248 -3.681 -7.063 1.00 0.00 H new ATOM 996 N GLN A 67 -13.658 -3.983 -3.115 1.00 0.00 N ATOM 997 CA GLN A 67 -13.618 -5.440 -3.087 1.00 0.00 C ATOM 998 C GLN A 67 -12.783 -5.940 -1.912 1.00 0.00 C ATOM 999 O GLN A 67 -13.101 -6.960 -1.301 1.00 0.00 O ATOM 1000 CB GLN A 67 -13.049 -5.981 -4.399 1.00 0.00 C ATOM 1001 CG GLN A 67 -11.532 -5.919 -4.476 1.00 0.00 C ATOM 1002 CD GLN A 67 -10.862 -7.058 -3.733 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -11.525 -7.984 -3.266 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -9.540 -6.996 -3.621 1.00 0.00 N ATOM 0 H GLN A 67 -13.195 -3.564 -3.922 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.638 -5.804 -2.964 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -13.369 -7.015 -4.525 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.470 -5.414 -5.229 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.224 -5.941 -5.521 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.190 -4.970 -4.063 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.030 -6.210 -4.024 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.034 -7.735 -3.132 1.00 0.00 H new ATOM 1013 N TYR A 68 -11.714 -5.215 -1.602 1.00 0.00 N ATOM 1014 CA TYR A 68 -10.832 -5.586 -0.503 1.00 0.00 C ATOM 1015 C TYR A 68 -11.538 -5.426 0.840 1.00 0.00 C ATOM 1016 O TYR A 68 -11.325 -6.213 1.763 1.00 0.00 O ATOM 1017 CB TYR A 68 -9.563 -4.732 -0.529 1.00 0.00 C ATOM 1018 CG TYR A 68 -8.499 -5.199 0.438 1.00 0.00 C ATOM 1019 CD1 TYR A 68 -7.907 -6.448 0.300 1.00 0.00 C ATOM 1020 CD2 TYR A 68 -8.085 -4.391 1.490 1.00 0.00 C ATOM 1021 CE1 TYR A 68 -6.935 -6.880 1.182 1.00 0.00 C ATOM 1022 CE2 TYR A 68 -7.112 -4.813 2.376 1.00 0.00 C ATOM 1023 CZ TYR A 68 -6.541 -6.059 2.217 1.00 0.00 C ATOM 1024 OH TYR A 68 -5.572 -6.484 3.098 1.00 0.00 O ATOM 0 H TYR A 68 -11.438 -4.367 -2.097 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.560 -6.634 -0.628 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.152 -4.737 -1.539 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.825 -3.700 -0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.212 -7.093 -0.511 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.532 -3.416 1.617 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.487 -7.855 1.061 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.801 -4.172 3.187 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.621 -5.952 3.920 1.00 0.00 H new