USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 330 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 Single : A 9 SER OG : rot 87:sc= 1.16 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00879 USER MOD Single : A 19 GLN : amide:sc= 0.38 X(o=0.38,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 157:sc= 1.26 (180deg=0.79) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.0128 USER MOD ----------------------------------------------------------------- ATOM 82 N GLU A 6 9.444 -20.686 -8.342 1.00 0.00 N ATOM 83 CA GLU A 6 10.532 -20.762 -7.374 1.00 0.00 C ATOM 84 C GLU A 6 11.430 -19.545 -7.602 1.00 0.00 C ATOM 85 O GLU A 6 11.408 -18.941 -8.680 1.00 0.00 O ATOM 86 CB GLU A 6 11.285 -22.083 -7.576 1.00 0.00 C ATOM 87 CG GLU A 6 12.447 -22.355 -6.602 1.00 0.00 C ATOM 88 CD GLU A 6 12.028 -22.344 -5.119 1.00 0.00 C ATOM 89 OE1 GLU A 6 11.783 -21.226 -4.606 1.00 0.00 O ATOM 90 OE2 GLU A 6 11.969 -23.429 -4.498 1.00 0.00 O ATOM 0 HA GLU A 6 10.171 -20.747 -6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.570 -22.902 -7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.677 -22.102 -8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.888 -23.323 -6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.222 -21.605 -6.757 1.00 0.00 H new ATOM 97 N VAL A 7 12.152 -19.125 -6.570 1.00 0.00 N ATOM 98 CA VAL A 7 13.056 -17.977 -6.596 1.00 0.00 C ATOM 99 C VAL A 7 13.985 -18.014 -7.802 1.00 0.00 C ATOM 100 O VAL A 7 14.585 -19.028 -8.143 1.00 0.00 O ATOM 101 CB VAL A 7 13.793 -17.856 -5.244 1.00 0.00 C ATOM 102 CG1 VAL A 7 12.769 -17.692 -4.109 1.00 0.00 C ATOM 103 CG2 VAL A 7 14.706 -19.039 -4.914 1.00 0.00 C ATOM 0 H VAL A 7 12.125 -19.588 -5.662 1.00 0.00 H new ATOM 0 HA VAL A 7 12.472 -17.065 -6.722 1.00 0.00 H new ATOM 0 HB VAL A 7 14.436 -16.980 -5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 7 13.292 -17.607 -3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.178 -16.793 -4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 7 12.110 -18.560 -4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 7 15.184 -18.872 -3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 7 14.115 -19.954 -4.873 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.470 -19.135 -5.685 1.00 0.00 H new ATOM 113 N GLY A 8 14.080 -16.866 -8.471 1.00 0.00 N ATOM 114 CA GLY A 8 14.938 -16.656 -9.621 1.00 0.00 C ATOM 115 C GLY A 8 14.262 -16.977 -10.954 1.00 0.00 C ATOM 116 O GLY A 8 14.778 -16.525 -11.984 1.00 0.00 O ATOM 0 H GLY A 8 13.544 -16.037 -8.215 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.270 -15.618 -9.632 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.830 -17.274 -9.517 1.00 0.00 H new ATOM 120 N SER A 9 13.133 -17.694 -10.956 1.00 0.00 N ATOM 121 CA SER A 9 12.385 -18.001 -12.176 1.00 0.00 C ATOM 122 C SER A 9 11.848 -16.725 -12.828 1.00 0.00 C ATOM 123 O SER A 9 11.794 -15.671 -12.191 1.00 0.00 O ATOM 124 CB SER A 9 11.238 -18.972 -11.874 1.00 0.00 C ATOM 125 OG SER A 9 11.684 -20.094 -11.145 1.00 0.00 O ATOM 0 H SER A 9 12.713 -18.078 -10.109 1.00 0.00 H new ATOM 0 HA SER A 9 13.069 -18.478 -12.879 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.463 -18.455 -11.309 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.784 -19.302 -12.809 1.00 0.00 H new ATOM 0 HG SER A 9 11.666 -19.890 -10.187 1.00 0.00 H new ATOM 131 N VAL A 10 11.411 -16.817 -14.082 1.00 0.00 N ATOM 132 CA VAL A 10 10.911 -15.685 -14.860 1.00 0.00 C ATOM 133 C VAL A 10 9.700 -16.191 -15.635 1.00 0.00 C ATOM 134 O VAL A 10 9.785 -17.206 -16.321 1.00 0.00 O ATOM 135 CB VAL A 10 12.007 -15.124 -15.797 1.00 0.00 C ATOM 136 CG1 VAL A 10 11.511 -13.899 -16.575 1.00 0.00 C ATOM 137 CG2 VAL A 10 13.277 -14.691 -15.046 1.00 0.00 C ATOM 0 H VAL A 10 11.394 -17.698 -14.596 1.00 0.00 H new ATOM 0 HA VAL A 10 10.626 -14.856 -14.212 1.00 0.00 H new ATOM 0 HB VAL A 10 12.243 -15.948 -16.470 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.307 -13.532 -17.223 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.649 -14.178 -17.182 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.223 -13.115 -15.874 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.008 -14.307 -15.758 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.026 -13.911 -14.327 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.699 -15.548 -14.520 1.00 0.00 H new ATOM 147 N TYR A 11 8.571 -15.507 -15.487 1.00 0.00 N ATOM 148 CA TYR A 11 7.297 -15.841 -16.122 1.00 0.00 C ATOM 149 C TYR A 11 6.548 -14.551 -16.471 1.00 0.00 C ATOM 150 O TYR A 11 7.086 -13.463 -16.284 1.00 0.00 O ATOM 151 CB TYR A 11 6.487 -16.731 -15.174 1.00 0.00 C ATOM 152 CG TYR A 11 7.028 -18.146 -15.014 1.00 0.00 C ATOM 153 CD1 TYR A 11 6.804 -19.101 -16.026 1.00 0.00 C ATOM 154 CD2 TYR A 11 7.747 -18.508 -13.856 1.00 0.00 C ATOM 155 CE1 TYR A 11 7.304 -20.412 -15.891 1.00 0.00 C ATOM 156 CE2 TYR A 11 8.206 -19.828 -13.690 1.00 0.00 C ATOM 157 CZ TYR A 11 8.008 -20.775 -14.718 1.00 0.00 C ATOM 158 OH TYR A 11 8.456 -22.048 -14.562 1.00 0.00 O ATOM 0 H TYR A 11 8.513 -14.674 -14.901 1.00 0.00 H new ATOM 0 HA TYR A 11 7.461 -16.391 -17.049 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.452 -16.257 -14.193 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.461 -16.787 -15.538 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.246 -18.827 -16.909 1.00 0.00 H new ATOM 0 HD2 TYR A 11 7.946 -17.769 -13.094 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.151 -21.135 -16.678 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.708 -20.116 -12.778 1.00 0.00 H new ATOM 0 HH TYR A 11 8.920 -22.129 -13.702 1.00 0.00 H new ATOM 168 N THR A 12 5.325 -14.651 -16.979 1.00 0.00 N ATOM 169 CA THR A 12 4.533 -13.504 -17.422 1.00 0.00 C ATOM 170 C THR A 12 3.211 -13.478 -16.650 1.00 0.00 C ATOM 171 O THR A 12 2.692 -14.522 -16.258 1.00 0.00 O ATOM 172 CB THR A 12 4.358 -13.578 -18.952 1.00 0.00 C ATOM 173 OG1 THR A 12 5.601 -13.875 -19.580 1.00 0.00 O ATOM 174 CG2 THR A 12 3.853 -12.272 -19.565 1.00 0.00 C ATOM 0 H THR A 12 4.846 -15.544 -17.097 1.00 0.00 H new ATOM 0 HA THR A 12 5.036 -12.561 -17.208 1.00 0.00 H new ATOM 0 HB THR A 12 3.618 -14.360 -19.121 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.474 -13.921 -20.551 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.752 -12.392 -20.644 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.884 -12.019 -19.135 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.563 -11.472 -19.354 1.00 0.00 H new ATOM 182 N GLY A 13 2.695 -12.277 -16.401 1.00 0.00 N ATOM 183 CA GLY A 13 1.514 -12.019 -15.589 1.00 0.00 C ATOM 184 C GLY A 13 0.890 -10.682 -15.973 1.00 0.00 C ATOM 185 O GLY A 13 1.355 -10.029 -16.906 1.00 0.00 O ATOM 0 H GLY A 13 3.107 -11.423 -16.776 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.788 -12.820 -15.727 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.785 -12.012 -14.533 1.00 0.00 H new ATOM 189 N LYS A 14 -0.180 -10.272 -15.286 1.00 0.00 N ATOM 190 CA LYS A 14 -0.908 -9.039 -15.601 1.00 0.00 C ATOM 191 C LYS A 14 -1.027 -8.174 -14.365 1.00 0.00 C ATOM 192 O LYS A 14 -1.338 -8.686 -13.293 1.00 0.00 O ATOM 193 CB LYS A 14 -2.289 -9.357 -16.187 1.00 0.00 C ATOM 194 CG LYS A 14 -2.174 -9.658 -17.686 1.00 0.00 C ATOM 195 CD LYS A 14 -3.526 -9.941 -18.358 1.00 0.00 C ATOM 196 CE LYS A 14 -4.162 -11.240 -17.845 1.00 0.00 C ATOM 197 NZ LYS A 14 -5.439 -11.549 -18.529 1.00 0.00 N ATOM 0 H LYS A 14 -0.567 -10.786 -14.495 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.348 -8.486 -16.355 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.723 -10.213 -15.670 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.962 -8.514 -16.029 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.700 -8.812 -18.183 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.520 -10.518 -17.827 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.204 -9.108 -18.173 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.388 -10.006 -19.437 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.465 -12.065 -17.991 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.338 -11.157 -16.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.831 -12.434 -18.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.115 -10.775 -18.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.269 -11.655 -19.550 1.00 0.00 H new ATOM 211 N VAL A 15 -0.755 -6.887 -14.511 1.00 0.00 N ATOM 212 CA VAL A 15 -0.703 -5.943 -13.405 1.00 0.00 C ATOM 213 C VAL A 15 -2.126 -5.703 -12.913 1.00 0.00 C ATOM 214 O VAL A 15 -2.988 -5.284 -13.685 1.00 0.00 O ATOM 215 CB VAL A 15 -0.018 -4.639 -13.853 1.00 0.00 C ATOM 216 CG1 VAL A 15 0.318 -3.786 -12.623 1.00 0.00 C ATOM 217 CG2 VAL A 15 1.270 -4.873 -14.650 1.00 0.00 C ATOM 0 H VAL A 15 -0.561 -6.461 -15.417 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.111 -6.345 -12.582 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.723 -4.130 -14.510 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.803 -2.863 -12.942 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.599 -3.547 -12.085 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.989 -4.341 -11.968 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.701 -3.913 -14.934 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.983 -5.423 -14.036 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.043 -5.449 -15.547 1.00 0.00 H new ATOM 227 N THR A 16 -2.354 -5.933 -11.626 1.00 0.00 N ATOM 228 CA THR A 16 -3.667 -5.876 -10.990 1.00 0.00 C ATOM 229 C THR A 16 -3.837 -4.644 -10.099 1.00 0.00 C ATOM 230 O THR A 16 -4.964 -4.302 -9.757 1.00 0.00 O ATOM 231 CB THR A 16 -3.910 -7.188 -10.219 1.00 0.00 C ATOM 232 OG1 THR A 16 -2.714 -7.682 -9.625 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.426 -8.270 -11.171 1.00 0.00 C ATOM 0 H THR A 16 -1.607 -6.172 -10.974 1.00 0.00 H new ATOM 0 HA THR A 16 -4.424 -5.774 -11.767 1.00 0.00 H new ATOM 0 HB THR A 16 -4.639 -6.964 -9.440 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.907 -8.514 -9.144 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.594 -9.193 -10.616 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.363 -7.942 -11.622 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.689 -8.447 -11.954 1.00 0.00 H new ATOM 241 N GLY A 17 -2.766 -3.917 -9.778 1.00 0.00 N ATOM 242 CA GLY A 17 -2.854 -2.624 -9.116 1.00 0.00 C ATOM 243 C GLY A 17 -1.479 -1.991 -9.008 1.00 0.00 C ATOM 244 O GLY A 17 -0.471 -2.678 -9.157 1.00 0.00 O ATOM 0 H GLY A 17 -1.810 -4.214 -9.973 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.521 -1.967 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.285 -2.746 -8.122 1.00 0.00 H new ATOM 248 N LEU A 18 -1.445 -0.689 -8.729 1.00 0.00 N ATOM 249 CA LEU A 18 -0.227 0.089 -8.501 1.00 0.00 C ATOM 250 C LEU A 18 -0.417 0.900 -7.224 1.00 0.00 C ATOM 251 O LEU A 18 -1.534 1.277 -6.878 1.00 0.00 O ATOM 252 CB LEU A 18 0.055 1.051 -9.663 1.00 0.00 C ATOM 253 CG LEU A 18 0.366 0.404 -11.025 1.00 0.00 C ATOM 254 CD1 LEU A 18 0.654 1.485 -12.069 1.00 0.00 C ATOM 255 CD2 LEU A 18 1.574 -0.528 -10.980 1.00 0.00 C ATOM 0 H LEU A 18 -2.293 -0.127 -8.653 1.00 0.00 H new ATOM 0 HA LEU A 18 0.617 -0.596 -8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.809 1.704 -9.784 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.897 1.685 -9.385 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.515 -0.181 -11.288 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.873 1.016 -13.028 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.217 2.133 -12.172 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.512 2.078 -11.752 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.743 -0.953 -11.969 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.456 0.034 -10.671 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.388 -1.331 -10.267 1.00 0.00 H new ATOM 267 N GLN A 19 0.676 1.155 -6.514 1.00 0.00 N ATOM 268 CA GLN A 19 0.691 1.743 -5.179 1.00 0.00 C ATOM 269 C GLN A 19 2.048 2.428 -4.999 1.00 0.00 C ATOM 270 O GLN A 19 3.037 1.976 -5.577 1.00 0.00 O ATOM 271 CB GLN A 19 0.602 0.674 -4.076 1.00 0.00 C ATOM 272 CG GLN A 19 -0.497 -0.398 -4.195 1.00 0.00 C ATOM 273 CD GLN A 19 -0.189 -1.591 -3.293 1.00 0.00 C ATOM 274 OE1 GLN A 19 -0.786 -1.767 -2.240 1.00 0.00 O ATOM 275 NE2 GLN A 19 0.773 -2.415 -3.682 1.00 0.00 N ATOM 0 H GLN A 19 1.611 0.950 -6.865 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.160 2.419 -5.095 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.563 0.163 -4.028 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.466 1.187 -3.124 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.461 0.031 -3.922 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.577 -0.730 -5.230 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.259 -2.251 -4.564 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.027 -3.213 -3.100 1.00 0.00 H new ATOM 284 N ALA A 20 2.142 3.401 -4.087 1.00 0.00 N ATOM 285 CA ALA A 20 3.401 4.072 -3.745 1.00 0.00 C ATOM 286 C ALA A 20 4.506 3.108 -3.294 1.00 0.00 C ATOM 287 O ALA A 20 5.672 3.477 -3.303 1.00 0.00 O ATOM 288 CB ALA A 20 3.144 5.101 -2.640 1.00 0.00 C ATOM 0 H ALA A 20 1.340 3.748 -3.561 1.00 0.00 H new ATOM 0 HA ALA A 20 3.757 4.554 -4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.078 5.601 -2.384 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.422 5.838 -2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.749 4.597 -1.758 1.00 0.00 H new ATOM 294 N TYR A 21 4.150 1.891 -2.874 1.00 0.00 N ATOM 295 CA TYR A 21 5.079 0.895 -2.340 1.00 0.00 C ATOM 296 C TYR A 21 5.341 -0.253 -3.315 1.00 0.00 C ATOM 297 O TYR A 21 6.284 -1.020 -3.101 1.00 0.00 O ATOM 298 CB TYR A 21 4.513 0.376 -1.013 1.00 0.00 C ATOM 299 CG TYR A 21 5.543 -0.265 -0.099 1.00 0.00 C ATOM 300 CD1 TYR A 21 6.388 0.555 0.672 1.00 0.00 C ATOM 301 CD2 TYR A 21 5.660 -1.668 -0.020 1.00 0.00 C ATOM 302 CE1 TYR A 21 7.341 -0.021 1.532 1.00 0.00 C ATOM 303 CE2 TYR A 21 6.615 -2.252 0.834 1.00 0.00 C ATOM 304 CZ TYR A 21 7.459 -1.427 1.618 1.00 0.00 C ATOM 305 OH TYR A 21 8.387 -1.974 2.450 1.00 0.00 O ATOM 0 H TYR A 21 3.184 1.564 -2.897 1.00 0.00 H new ATOM 0 HA TYR A 21 6.047 1.370 -2.180 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.042 1.205 -0.484 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.731 -0.353 -1.226 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.305 1.630 0.603 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.015 -2.296 -0.616 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.983 0.612 2.127 1.00 0.00 H new ATOM 0 HE2 TYR A 21 6.704 -3.327 0.891 1.00 0.00 H new ATOM 0 HH TYR A 21 8.340 -2.951 2.395 1.00 0.00 H new ATOM 315 N GLY A 22 4.552 -0.406 -4.385 1.00 0.00 N ATOM 316 CA GLY A 22 4.718 -1.524 -5.299 1.00 0.00 C ATOM 317 C GLY A 22 3.482 -1.835 -6.143 1.00 0.00 C ATOM 318 O GLY A 22 2.416 -1.252 -5.948 1.00 0.00 O ATOM 0 H GLY A 22 3.796 0.233 -4.632 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.555 -1.313 -5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.984 -2.411 -4.725 1.00 0.00 H new ATOM 322 N ALA A 23 3.632 -2.771 -7.074 1.00 0.00 N ATOM 323 CA ALA A 23 2.644 -3.149 -8.079 1.00 0.00 C ATOM 324 C ALA A 23 2.204 -4.584 -7.837 1.00 0.00 C ATOM 325 O ALA A 23 3.051 -5.469 -7.724 1.00 0.00 O ATOM 326 CB ALA A 23 3.287 -3.038 -9.462 1.00 0.00 C ATOM 0 H ALA A 23 4.491 -3.315 -7.152 1.00 0.00 H new ATOM 0 HA ALA A 23 1.776 -2.492 -8.018 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.560 -3.318 -10.225 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.613 -2.012 -9.630 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.147 -3.706 -9.518 1.00 0.00 H new ATOM 332 N PHE A 24 0.901 -4.832 -7.746 1.00 0.00 N ATOM 333 CA PHE A 24 0.380 -6.190 -7.723 1.00 0.00 C ATOM 334 C PHE A 24 0.377 -6.752 -9.145 1.00 0.00 C ATOM 335 O PHE A 24 0.055 -6.031 -10.092 1.00 0.00 O ATOM 336 CB PHE A 24 -1.033 -6.206 -7.126 1.00 0.00 C ATOM 337 CG PHE A 24 -1.124 -5.790 -5.673 1.00 0.00 C ATOM 338 CD1 PHE A 24 -0.362 -6.456 -4.694 1.00 0.00 C ATOM 339 CD2 PHE A 24 -2.006 -4.760 -5.294 1.00 0.00 C ATOM 340 CE1 PHE A 24 -0.476 -6.090 -3.341 1.00 0.00 C ATOM 341 CE2 PHE A 24 -2.129 -4.403 -3.939 1.00 0.00 C ATOM 342 CZ PHE A 24 -1.362 -5.065 -2.963 1.00 0.00 C ATOM 0 H PHE A 24 0.187 -4.106 -7.687 1.00 0.00 H new ATOM 0 HA PHE A 24 1.016 -6.815 -7.096 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.667 -5.545 -7.717 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.441 -7.212 -7.225 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.311 -7.249 -4.983 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.588 -4.244 -6.043 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.116 -6.596 -2.593 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.813 -3.620 -3.648 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.453 -4.786 -1.924 1.00 0.00 H new ATOM 352 N VAL A 25 0.685 -8.041 -9.296 1.00 0.00 N ATOM 353 CA VAL A 25 0.715 -8.713 -10.591 1.00 0.00 C ATOM 354 C VAL A 25 0.119 -10.100 -10.398 1.00 0.00 C ATOM 355 O VAL A 25 0.582 -10.886 -9.569 1.00 0.00 O ATOM 356 CB VAL A 25 2.154 -8.768 -11.154 1.00 0.00 C ATOM 357 CG1 VAL A 25 2.149 -9.292 -12.595 1.00 0.00 C ATOM 358 CG2 VAL A 25 2.854 -7.403 -11.153 1.00 0.00 C ATOM 0 H VAL A 25 0.922 -8.651 -8.514 1.00 0.00 H new ATOM 0 HA VAL A 25 0.128 -8.163 -11.327 1.00 0.00 H new ATOM 0 HB VAL A 25 2.703 -9.439 -10.493 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.170 -9.324 -12.974 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.723 -10.295 -12.616 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.550 -8.630 -13.221 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.860 -7.509 -11.560 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.287 -6.703 -11.766 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.914 -7.025 -10.132 1.00 0.00 H new ATOM 368 N ALA A 26 -0.971 -10.370 -11.113 1.00 0.00 N ATOM 369 CA ALA A 26 -1.581 -11.681 -11.246 1.00 0.00 C ATOM 370 C ALA A 26 -0.620 -12.667 -11.899 1.00 0.00 C ATOM 371 O ALA A 26 0.112 -12.323 -12.822 1.00 0.00 O ATOM 372 CB ALA A 26 -2.861 -11.570 -12.079 1.00 0.00 C ATOM 0 H ALA A 26 -1.470 -9.649 -11.635 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.824 -12.052 -10.250 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.317 -12.555 -12.178 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.559 -10.894 -11.585 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.619 -11.182 -13.068 1.00 0.00 H new ATOM 378 N LEU A 27 -0.720 -13.916 -11.457 1.00 0.00 N ATOM 379 CA LEU A 27 -0.068 -15.083 -12.054 1.00 0.00 C ATOM 380 C LEU A 27 -1.107 -16.205 -12.109 1.00 0.00 C ATOM 381 O LEU A 27 -1.322 -16.825 -13.140 1.00 0.00 O ATOM 382 CB LEU A 27 1.118 -15.517 -11.180 1.00 0.00 C ATOM 383 CG LEU A 27 2.335 -14.568 -11.201 1.00 0.00 C ATOM 384 CD1 LEU A 27 3.300 -14.985 -10.085 1.00 0.00 C ATOM 385 CD2 LEU A 27 3.071 -14.578 -12.543 1.00 0.00 C ATOM 0 H LEU A 27 -1.280 -14.156 -10.639 1.00 0.00 H new ATOM 0 HA LEU A 27 0.305 -14.851 -13.051 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.773 -15.616 -10.151 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.444 -16.506 -11.503 1.00 0.00 H new ATOM 0 HG LEU A 27 1.969 -13.553 -11.047 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.166 -14.323 -10.087 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.794 -14.917 -9.122 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.627 -16.011 -10.252 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.917 -13.892 -12.499 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.431 -15.585 -12.753 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.390 -14.263 -13.334 1.00 0.00 H new ATOM 763 N LEU A 52 5.478 1.368 -14.821 1.00 0.00 N ATOM 764 CA LEU A 52 4.517 0.283 -14.992 1.00 0.00 C ATOM 765 C LEU A 52 3.137 0.886 -15.290 1.00 0.00 C ATOM 766 O LEU A 52 2.915 2.090 -15.147 1.00 0.00 O ATOM 767 CB LEU A 52 4.432 -0.565 -13.710 1.00 0.00 C ATOM 768 CG LEU A 52 5.493 -1.674 -13.590 1.00 0.00 C ATOM 769 CD1 LEU A 52 5.386 -2.322 -12.205 1.00 0.00 C ATOM 770 CD2 LEU A 52 5.304 -2.761 -14.650 1.00 0.00 C ATOM 0 HA LEU A 52 4.839 -0.355 -15.815 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.521 0.097 -12.848 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.444 -1.022 -13.660 1.00 0.00 H new ATOM 0 HG LEU A 52 6.471 -1.216 -13.737 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.135 -3.109 -12.113 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.555 -1.568 -11.436 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.392 -2.751 -12.080 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.073 -3.524 -14.530 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.320 -3.216 -14.533 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.384 -2.319 -15.643 1.00 0.00 H new ATOM 782 N SER A 53 2.183 0.034 -15.662 1.00 0.00 N ATOM 783 CA SER A 53 0.790 0.392 -15.914 1.00 0.00 C ATOM 784 C SER A 53 -0.101 -0.728 -15.373 1.00 0.00 C ATOM 785 O SER A 53 0.193 -1.898 -15.584 1.00 0.00 O ATOM 786 CB SER A 53 0.573 0.557 -17.424 1.00 0.00 C ATOM 787 OG SER A 53 1.345 1.642 -17.928 1.00 0.00 O ATOM 0 H SER A 53 2.366 -0.960 -15.801 1.00 0.00 H new ATOM 0 HA SER A 53 0.541 1.331 -15.420 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.850 -0.363 -17.939 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.484 0.730 -17.628 1.00 0.00 H new ATOM 0 HG SER A 53 1.195 1.730 -18.892 1.00 0.00 H new ATOM 793 N VAL A 54 -1.164 -0.392 -14.636 1.00 0.00 N ATOM 794 CA VAL A 54 -2.218 -1.350 -14.285 1.00 0.00 C ATOM 795 C VAL A 54 -2.942 -1.812 -15.549 1.00 0.00 C ATOM 796 O VAL A 54 -3.061 -1.057 -16.513 1.00 0.00 O ATOM 797 CB VAL A 54 -3.130 -0.739 -13.196 1.00 0.00 C ATOM 798 CG1 VAL A 54 -3.894 0.510 -13.667 1.00 0.00 C ATOM 799 CG2 VAL A 54 -4.109 -1.761 -12.625 1.00 0.00 C ATOM 0 H VAL A 54 -1.318 0.546 -14.267 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.799 -2.255 -13.845 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.449 -0.425 -12.405 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.514 0.886 -12.853 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.183 1.280 -13.967 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.527 0.251 -14.515 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.728 -1.286 -11.864 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.745 -2.142 -13.424 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.554 -2.586 -12.178 1.00 0.00 H new ATOM 809 N GLY A 55 -3.435 -3.049 -15.513 1.00 0.00 N ATOM 810 CA GLY A 55 -4.182 -3.639 -16.609 1.00 0.00 C ATOM 811 C GLY A 55 -3.306 -3.843 -17.845 1.00 0.00 C ATOM 812 O GLY A 55 -3.809 -3.736 -18.960 1.00 0.00 O ATOM 0 H GLY A 55 -3.323 -3.671 -14.712 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.595 -4.597 -16.294 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.025 -2.996 -16.862 1.00 0.00 H new ATOM 816 N ASP A 56 -2.022 -4.133 -17.641 1.00 0.00 N ATOM 817 CA ASP A 56 -1.072 -4.443 -18.713 1.00 0.00 C ATOM 818 C ASP A 56 -0.432 -5.795 -18.418 1.00 0.00 C ATOM 819 O ASP A 56 -0.525 -6.281 -17.284 1.00 0.00 O ATOM 820 CB ASP A 56 -0.028 -3.324 -18.820 1.00 0.00 C ATOM 821 CG ASP A 56 0.934 -3.488 -20.012 1.00 0.00 C ATOM 822 OD1 ASP A 56 0.507 -4.072 -21.034 1.00 0.00 O ATOM 823 OD2 ASP A 56 2.077 -2.989 -19.908 1.00 0.00 O ATOM 0 H ASP A 56 -1.604 -4.160 -16.711 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.581 -4.504 -19.675 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.542 -2.367 -18.908 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.552 -3.291 -17.898 1.00 0.00 H new ATOM 828 N GLU A 57 0.161 -6.432 -19.418 1.00 0.00 N ATOM 829 CA GLU A 57 0.826 -7.722 -19.299 1.00 0.00 C ATOM 830 C GLU A 57 2.337 -7.494 -19.268 1.00 0.00 C ATOM 831 O GLU A 57 2.883 -6.737 -20.063 1.00 0.00 O ATOM 832 CB GLU A 57 0.382 -8.597 -20.477 1.00 0.00 C ATOM 833 CG GLU A 57 0.947 -10.023 -20.420 1.00 0.00 C ATOM 834 CD GLU A 57 0.472 -10.883 -21.609 1.00 0.00 C ATOM 835 OE1 GLU A 57 1.124 -10.816 -22.675 1.00 0.00 O ATOM 836 OE2 GLU A 57 -0.549 -11.596 -21.428 1.00 0.00 O ATOM 0 H GLU A 57 0.194 -6.053 -20.364 1.00 0.00 H new ATOM 0 HA GLU A 57 0.557 -8.238 -18.377 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.707 -8.645 -20.495 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.695 -8.126 -21.409 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.036 -9.981 -20.416 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.643 -10.496 -19.486 1.00 0.00 H new ATOM 843 N VAL A 58 3.028 -8.145 -18.332 1.00 0.00 N ATOM 844 CA VAL A 58 4.435 -7.898 -18.024 1.00 0.00 C ATOM 845 C VAL A 58 5.112 -9.220 -17.692 1.00 0.00 C ATOM 846 O VAL A 58 4.515 -10.106 -17.074 1.00 0.00 O ATOM 847 CB VAL A 58 4.569 -6.876 -16.868 1.00 0.00 C ATOM 848 CG1 VAL A 58 4.081 -5.478 -17.275 1.00 0.00 C ATOM 849 CG2 VAL A 58 3.821 -7.282 -15.590 1.00 0.00 C ATOM 0 H VAL A 58 2.614 -8.876 -17.754 1.00 0.00 H new ATOM 0 HA VAL A 58 4.932 -7.463 -18.891 1.00 0.00 H new ATOM 0 HB VAL A 58 5.638 -6.859 -16.653 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.194 -4.794 -16.434 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.672 -5.117 -18.117 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.031 -5.529 -17.563 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.962 -6.517 -14.827 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.758 -7.385 -15.808 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.211 -8.233 -15.227 1.00 0.00 H new ATOM 859 N GLN A 59 6.367 -9.364 -18.120 1.00 0.00 N ATOM 860 CA GLN A 59 7.240 -10.430 -17.663 1.00 0.00 C ATOM 861 C GLN A 59 7.783 -10.017 -16.293 1.00 0.00 C ATOM 862 O GLN A 59 8.225 -8.884 -16.138 1.00 0.00 O ATOM 863 CB GLN A 59 8.359 -10.627 -18.694 1.00 0.00 C ATOM 864 CG GLN A 59 9.176 -11.899 -18.428 1.00 0.00 C ATOM 865 CD GLN A 59 10.306 -12.080 -19.442 1.00 0.00 C ATOM 866 OE1 GLN A 59 11.231 -11.284 -19.507 1.00 0.00 O ATOM 867 NE2 GLN A 59 10.243 -13.126 -20.256 1.00 0.00 N ATOM 0 H GLN A 59 6.803 -8.738 -18.797 1.00 0.00 H new ATOM 0 HA GLN A 59 6.716 -11.381 -17.564 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.925 -10.678 -19.693 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.022 -9.762 -18.678 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.595 -11.856 -17.423 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.517 -12.766 -18.462 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.463 -13.780 -20.187 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.974 -13.276 -20.951 1.00 0.00 H new ATOM 876 N VAL A 60 7.801 -10.922 -15.324 1.00 0.00 N ATOM 877 CA VAL A 60 8.272 -10.707 -13.955 1.00 0.00 C ATOM 878 C VAL A 60 9.320 -11.760 -13.613 1.00 0.00 C ATOM 879 O VAL A 60 9.235 -12.904 -14.070 1.00 0.00 O ATOM 880 CB VAL A 60 7.094 -10.789 -12.958 1.00 0.00 C ATOM 881 CG1 VAL A 60 6.258 -9.507 -12.965 1.00 0.00 C ATOM 882 CG2 VAL A 60 6.155 -11.979 -13.191 1.00 0.00 C ATOM 0 H VAL A 60 7.472 -11.875 -15.475 1.00 0.00 H new ATOM 0 HA VAL A 60 8.714 -9.714 -13.882 1.00 0.00 H new ATOM 0 HB VAL A 60 7.573 -10.928 -11.989 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.439 -9.603 -12.252 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.886 -8.661 -12.685 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.852 -9.343 -13.963 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.356 -11.963 -12.449 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.724 -11.912 -14.190 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.716 -12.909 -13.099 1.00 0.00 H new ATOM 892 N LYS A 61 10.295 -11.397 -12.779 1.00 0.00 N ATOM 893 CA LYS A 61 11.205 -12.356 -12.162 1.00 0.00 C ATOM 894 C LYS A 61 10.710 -12.630 -10.747 1.00 0.00 C ATOM 895 O LYS A 61 10.426 -11.685 -10.012 1.00 0.00 O ATOM 896 CB LYS A 61 12.630 -11.791 -12.203 1.00 0.00 C ATOM 897 CG LYS A 61 13.673 -12.771 -11.638 1.00 0.00 C ATOM 898 CD LYS A 61 15.094 -12.223 -11.822 1.00 0.00 C ATOM 899 CE LYS A 61 16.192 -13.178 -11.329 1.00 0.00 C ATOM 900 NZ LYS A 61 16.452 -14.289 -12.273 1.00 0.00 N ATOM 0 H LYS A 61 10.474 -10.429 -12.514 1.00 0.00 H new ATOM 0 HA LYS A 61 11.227 -13.304 -12.699 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.889 -11.544 -13.233 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.665 -10.862 -11.634 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.480 -12.944 -10.579 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.582 -13.734 -12.140 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.258 -12.009 -12.878 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.181 -11.277 -11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 61 17.113 -12.616 -11.174 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.902 -13.589 -10.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 17.411 -14.661 -12.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.757 -15.047 -12.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.371 -13.941 -13.250 1.00 0.00 H new ATOM 914 N VAL A 62 10.598 -13.895 -10.368 1.00 0.00 N ATOM 915 CA VAL A 62 10.339 -14.307 -8.996 1.00 0.00 C ATOM 916 C VAL A 62 11.526 -13.866 -8.135 1.00 0.00 C ATOM 917 O VAL A 62 12.650 -14.322 -8.353 1.00 0.00 O ATOM 918 CB VAL A 62 10.106 -15.830 -8.928 1.00 0.00 C ATOM 919 CG1 VAL A 62 9.704 -16.227 -7.504 1.00 0.00 C ATOM 920 CG2 VAL A 62 8.999 -16.289 -9.890 1.00 0.00 C ATOM 0 H VAL A 62 10.686 -14.677 -11.017 1.00 0.00 H new ATOM 0 HA VAL A 62 9.432 -13.836 -8.616 1.00 0.00 H new ATOM 0 HB VAL A 62 11.039 -16.312 -9.219 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.540 -17.304 -7.459 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.499 -15.952 -6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.786 -15.708 -7.227 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.870 -17.368 -9.808 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.064 -15.791 -9.633 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.277 -16.034 -10.913 1.00 0.00 H new ATOM 930 N LEU A 63 11.275 -12.986 -7.169 1.00 0.00 N ATOM 931 CA LEU A 63 12.303 -12.443 -6.284 1.00 0.00 C ATOM 932 C LEU A 63 12.330 -13.184 -4.950 1.00 0.00 C ATOM 933 O LEU A 63 13.405 -13.407 -4.407 1.00 0.00 O ATOM 934 CB LEU A 63 12.038 -10.944 -6.095 1.00 0.00 C ATOM 935 CG LEU A 63 13.093 -10.208 -5.249 1.00 0.00 C ATOM 936 CD1 LEU A 63 14.487 -10.241 -5.889 1.00 0.00 C ATOM 937 CD2 LEU A 63 12.665 -8.750 -5.082 1.00 0.00 C ATOM 0 H LEU A 63 10.341 -12.625 -6.976 1.00 0.00 H new ATOM 0 HA LEU A 63 13.287 -12.581 -6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.984 -10.472 -7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.062 -10.817 -5.626 1.00 0.00 H new ATOM 0 HG LEU A 63 13.157 -10.717 -4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 63 15.193 -9.708 -5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.811 -11.276 -6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 63 14.449 -9.763 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.406 -8.220 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.586 -8.280 -6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.698 -8.710 -4.581 1.00 0.00 H new ATOM 949 N ALA A 64 11.172 -13.606 -4.441 1.00 0.00 N ATOM 950 CA ALA A 64 11.029 -14.436 -3.243 1.00 0.00 C ATOM 951 C ALA A 64 9.687 -15.159 -3.300 1.00 0.00 C ATOM 952 O ALA A 64 8.792 -14.743 -4.032 1.00 0.00 O ATOM 953 CB ALA A 64 11.111 -13.569 -1.981 1.00 0.00 C ATOM 0 H ALA A 64 10.275 -13.371 -4.867 1.00 0.00 H new ATOM 0 HA ALA A 64 11.837 -15.166 -3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.003 -14.200 -1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 64 12.076 -13.063 -1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.312 -12.827 -1.997 1.00 0.00 H new ATOM 959 N VAL A 65 9.511 -16.190 -2.483 1.00 0.00 N ATOM 960 CA VAL A 65 8.254 -16.923 -2.333 1.00 0.00 C ATOM 961 C VAL A 65 8.016 -17.096 -0.829 1.00 0.00 C ATOM 962 O VAL A 65 8.964 -17.327 -0.077 1.00 0.00 O ATOM 963 CB VAL A 65 8.346 -18.274 -3.089 1.00 0.00 C ATOM 964 CG1 VAL A 65 7.050 -19.094 -2.962 1.00 0.00 C ATOM 965 CG2 VAL A 65 8.629 -18.087 -4.588 1.00 0.00 C ATOM 0 H VAL A 65 10.257 -16.551 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 65 7.409 -16.388 -2.766 1.00 0.00 H new ATOM 0 HB VAL A 65 9.175 -18.805 -2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.158 -20.032 -3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.854 -19.305 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.218 -18.527 -3.379 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.684 -19.062 -5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.827 -17.502 -5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.577 -17.564 -4.717 1.00 0.00 H new ATOM 1068 N ILE A 72 4.139 -14.140 -3.278 1.00 0.00 N ATOM 1069 CA ILE A 72 5.355 -14.141 -4.078 1.00 0.00 C ATOM 1070 C ILE A 72 5.796 -12.682 -4.171 1.00 0.00 C ATOM 1071 O ILE A 72 4.981 -11.806 -4.471 1.00 0.00 O ATOM 1072 CB ILE A 72 5.074 -14.784 -5.465 1.00 0.00 C ATOM 1073 CG1 ILE A 72 4.602 -16.244 -5.311 1.00 0.00 C ATOM 1074 CG2 ILE A 72 6.335 -14.726 -6.337 1.00 0.00 C ATOM 1075 CD1 ILE A 72 4.494 -17.054 -6.614 1.00 0.00 C ATOM 0 HA ILE A 72 6.153 -14.736 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 72 4.278 -14.218 -5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.290 -16.760 -4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.626 -16.241 -4.825 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.128 -15.179 -7.307 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.632 -13.687 -6.478 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.142 -15.271 -5.847 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.154 -18.064 -6.387 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.781 -16.573 -7.283 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.471 -17.099 -7.096 1.00 0.00 H new ATOM 1087 N SER A 73 7.066 -12.405 -3.887 1.00 0.00 N ATOM 1088 CA SER A 73 7.666 -11.113 -4.179 1.00 0.00 C ATOM 1089 C SER A 73 8.257 -11.183 -5.582 1.00 0.00 C ATOM 1090 O SER A 73 8.805 -12.214 -5.983 1.00 0.00 O ATOM 1091 CB SER A 73 8.742 -10.770 -3.148 1.00 0.00 C ATOM 1092 OG SER A 73 8.246 -10.946 -1.832 1.00 0.00 O ATOM 0 H SER A 73 7.704 -13.070 -3.449 1.00 0.00 H new ATOM 0 HA SER A 73 6.914 -10.326 -4.128 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.615 -11.404 -3.301 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.069 -9.739 -3.284 1.00 0.00 H new ATOM 0 HG SER A 73 8.948 -10.724 -1.185 1.00 0.00 H new ATOM 1098 N LEU A 74 8.179 -10.092 -6.328 1.00 0.00 N ATOM 1099 CA LEU A 74 8.494 -10.061 -7.749 1.00 0.00 C ATOM 1100 C LEU A 74 9.466 -8.915 -8.026 1.00 0.00 C ATOM 1101 O LEU A 74 9.610 -7.994 -7.221 1.00 0.00 O ATOM 1102 CB LEU A 74 7.191 -9.890 -8.548 1.00 0.00 C ATOM 1103 CG LEU A 74 6.167 -11.037 -8.414 1.00 0.00 C ATOM 1104 CD1 LEU A 74 4.854 -10.657 -9.107 1.00 0.00 C ATOM 1105 CD2 LEU A 74 6.689 -12.344 -9.009 1.00 0.00 C ATOM 0 H LEU A 74 7.890 -9.187 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 74 8.969 -10.993 -8.055 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.713 -8.962 -8.233 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.445 -9.776 -9.602 1.00 0.00 H new ATOM 0 HG LEU A 74 5.997 -11.193 -7.349 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.139 -11.474 -9.006 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.446 -9.758 -8.645 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.042 -10.468 -10.164 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.936 -13.123 -8.892 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.903 -12.202 -10.068 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.601 -12.641 -8.491 1.00 0.00 H new ATOM 1117 N SER A 75 10.097 -8.962 -9.190 1.00 0.00 N ATOM 1118 CA SER A 75 10.956 -7.919 -9.712 1.00 0.00 C ATOM 1119 C SER A 75 10.524 -7.648 -11.149 1.00 0.00 C ATOM 1120 O SER A 75 10.115 -8.555 -11.881 1.00 0.00 O ATOM 1121 CB SER A 75 12.416 -8.376 -9.601 1.00 0.00 C ATOM 1122 OG SER A 75 13.308 -7.505 -10.282 1.00 0.00 O ATOM 0 H SER A 75 10.019 -9.761 -9.819 1.00 0.00 H new ATOM 0 HA SER A 75 10.873 -6.990 -9.148 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.698 -8.431 -8.550 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.511 -9.382 -10.010 1.00 0.00 H new ATOM 0 HG SER A 75 14.226 -7.834 -10.183 1.00 0.00 H new ATOM 1128 N ILE A 76 10.646 -6.380 -11.526 1.00 0.00 N ATOM 1129 CA ILE A 76 10.468 -5.857 -12.876 1.00 0.00 C ATOM 1130 C ILE A 76 11.751 -5.166 -13.329 1.00 0.00 C ATOM 1131 O ILE A 76 12.022 -5.165 -14.517 1.00 0.00 O ATOM 1132 CB ILE A 76 9.206 -4.962 -12.907 1.00 0.00 C ATOM 1133 CG1 ILE A 76 7.900 -5.764 -12.907 1.00 0.00 C ATOM 1134 CG2 ILE A 76 9.194 -3.957 -14.068 1.00 0.00 C ATOM 1135 CD1 ILE A 76 7.634 -6.565 -14.182 1.00 0.00 C ATOM 0 H ILE A 76 10.886 -5.647 -10.859 1.00 0.00 H new ATOM 0 HA ILE A 76 10.293 -6.655 -13.598 1.00 0.00 H new ATOM 0 HB ILE A 76 9.262 -4.397 -11.977 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.913 -6.451 -12.061 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.069 -5.077 -12.748 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.280 -3.364 -14.026 1.00 0.00 H new ATOM 0 HG22 ILE A 76 10.058 -3.298 -13.988 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.235 -4.495 -15.015 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.688 -7.098 -14.086 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.584 -5.887 -15.034 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.440 -7.282 -14.336 1.00 0.00 H new ATOM 1147 N ARG A 77 12.631 -4.680 -12.451 1.00 0.00 N ATOM 1148 CA ARG A 77 13.962 -4.231 -12.869 1.00 0.00 C ATOM 1149 C ARG A 77 14.730 -5.335 -13.594 1.00 0.00 C ATOM 1150 O ARG A 77 15.525 -5.028 -14.474 1.00 0.00 O ATOM 1151 CB ARG A 77 14.731 -3.635 -11.687 1.00 0.00 C ATOM 1152 CG ARG A 77 15.099 -4.632 -10.580 1.00 0.00 C ATOM 1153 CD ARG A 77 15.850 -3.923 -9.449 1.00 0.00 C ATOM 1154 NE ARG A 77 16.106 -4.838 -8.339 1.00 0.00 N ATOM 1155 CZ ARG A 77 17.161 -5.630 -8.138 1.00 0.00 C ATOM 1156 NH1 ARG A 77 18.210 -5.625 -8.960 1.00 0.00 N ATOM 1157 NH2 ARG A 77 17.136 -6.469 -7.116 1.00 0.00 N ATOM 0 H ARG A 77 12.448 -4.587 -11.452 1.00 0.00 H new ATOM 0 HA ARG A 77 13.841 -3.430 -13.599 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.647 -3.179 -12.063 1.00 0.00 H new ATOM 0 HB3 ARG A 77 14.132 -2.836 -11.250 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.196 -5.099 -10.188 1.00 0.00 H new ATOM 0 HG3 ARG A 77 15.718 -5.430 -10.991 1.00 0.00 H new ATOM 0 HD2 ARG A 77 16.794 -3.528 -9.825 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.267 -3.072 -9.097 1.00 0.00 H new ATOM 0 HE ARG A 77 15.382 -4.877 -7.622 1.00 0.00 H new ATOM 0 HH11 ARG A 77 18.221 -5.004 -9.769 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.002 -6.242 -8.780 1.00 0.00 H new ATOM 0 HH21 ARG A 77 16.322 -6.501 -6.502 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.931 -7.084 -6.942 1.00 0.00 H new ATOM 1171 N ALA A 78 14.479 -6.599 -13.243 1.00 0.00 N ATOM 1172 CA ALA A 78 15.006 -7.756 -13.951 1.00 0.00 C ATOM 1173 C ALA A 78 14.527 -7.869 -15.404 1.00 0.00 C ATOM 1174 O ALA A 78 15.208 -8.514 -16.195 1.00 0.00 O ATOM 1175 CB ALA A 78 14.602 -9.006 -13.172 1.00 0.00 C ATOM 0 H ALA A 78 13.894 -6.845 -12.445 1.00 0.00 H new ATOM 0 HA ALA A 78 16.089 -7.644 -14.008 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.984 -9.891 -13.681 1.00 0.00 H new ATOM 0 HB2 ALA A 78 15.018 -8.958 -12.166 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.515 -9.063 -13.113 1.00 0.00 H new