USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 639 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 1 GLY N :NH3+ 164:sc= -1.89! (180deg=-2.2!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.59) USER MOD Single : A 11 LYS NZ :NH3+ -147:sc= 0 (180deg=-1.04) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 1.05 K(o=1,f=-5.4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.00793 USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0.162 (180deg=0.145) USER MOD Single : A 32 MET CE :methyl -114:sc= -0.507 (180deg=-1.91!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 82:sc= 1.27 USER MOD Single : A 40 GLN : amide:sc= -0.0531 K(o=-0.053,f=-1.1) USER MOD Single : A 48 CYS SG : rot 62:sc= -0.949 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 147:sc= 1.03 (180deg=0.383) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 90:sc= 0.447 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.881 4.309 -22.597 1.00 25.00 N ATOM 2 CA GLY A 1 13.607 4.685 -21.345 1.00 25.00 C ATOM 3 C GLY A 1 14.017 6.140 -21.310 1.00 25.00 C ATOM 4 O GLY A 1 14.322 6.750 -20.311 1.00 25.00 O ATOM 0 H1 GLY A 1 12.865 3.273 -22.691 1.00 25.00 H new ATOM 0 H2 GLY A 1 11.906 4.668 -22.554 1.00 25.00 H new ATOM 0 H3 GLY A 1 13.366 4.724 -23.418 1.00 25.00 H new ATOM 0 HA2 GLY A 1 12.971 4.472 -20.486 1.00 25.00 H new ATOM 0 HA3 GLY A 1 14.495 4.061 -21.246 1.00 25.00 H new ATOM 9 N SER A 2 13.966 6.703 -22.515 1.00 25.00 N ATOM 10 CA SER A 2 14.367 8.085 -22.794 1.00 25.00 C ATOM 11 C SER A 2 13.503 9.119 -22.082 1.00 25.00 C ATOM 12 O SER A 2 13.918 10.252 -21.881 1.00 25.00 O ATOM 13 CB SER A 2 14.303 8.337 -24.297 1.00 25.00 C ATOM 14 OG SER A 2 14.936 7.281 -24.997 1.00 25.00 O ATOM 0 H SER A 2 13.639 6.204 -23.342 1.00 25.00 H new ATOM 0 HA SER A 2 15.383 8.199 -22.416 1.00 25.00 H new ATOM 0 HB2 SER A 2 13.264 8.422 -24.615 1.00 25.00 H new ATOM 0 HB3 SER A 2 14.788 9.283 -24.535 1.00 25.00 H new ATOM 0 HG SER A 2 14.888 7.452 -25.961 1.00 25.00 H new ATOM 20 N MET A 3 12.306 8.712 -21.682 1.00 25.00 N ATOM 21 CA MET A 3 11.415 9.589 -20.915 1.00 25.00 C ATOM 22 C MET A 3 11.425 9.154 -19.452 1.00 25.00 C ATOM 23 O MET A 3 11.699 9.960 -18.565 1.00 25.00 O ATOM 24 CB MET A 3 9.994 9.547 -21.477 1.00 25.00 C ATOM 25 CG MET A 3 9.903 10.097 -22.894 1.00 25.00 C ATOM 26 SD MET A 3 8.219 10.112 -23.533 1.00 25.00 S ATOM 27 CE MET A 3 7.516 11.574 -22.711 1.00 25.00 C ATOM 0 H MET A 3 11.926 7.785 -21.872 1.00 25.00 H new ATOM 0 HA MET A 3 11.771 10.616 -20.992 1.00 25.00 H new ATOM 0 HB2 MET A 3 9.635 8.518 -21.468 1.00 25.00 H new ATOM 0 HB3 MET A 3 9.334 10.121 -20.826 1.00 25.00 H new ATOM 0 HG2 MET A 3 10.302 11.111 -22.911 1.00 25.00 H new ATOM 0 HG3 MET A 3 10.531 9.497 -23.552 1.00 25.00 H new ATOM 0 HE1 MET A 3 6.478 11.700 -23.018 1.00 25.00 H new ATOM 0 HE2 MET A 3 7.561 11.441 -21.630 1.00 25.00 H new ATOM 0 HE3 MET A 3 8.087 12.459 -22.992 1.00 25.00 H new ATOM 37 N LYS A 4 11.177 7.868 -19.212 1.00 25.00 N ATOM 38 CA LYS A 4 11.277 7.272 -17.864 1.00 25.00 C ATOM 39 C LYS A 4 11.193 5.755 -17.929 1.00 25.00 C ATOM 40 O LYS A 4 11.982 5.051 -17.323 1.00 25.00 O ATOM 41 CB LYS A 4 10.158 7.779 -16.938 1.00 25.00 C ATOM 42 CG LYS A 4 10.418 7.427 -15.476 1.00 25.00 C ATOM 43 CD LYS A 4 9.307 7.933 -14.577 1.00 25.00 C ATOM 44 CE LYS A 4 9.588 7.562 -13.127 1.00 25.00 C ATOM 45 NZ LYS A 4 8.504 8.049 -12.200 1.00 25.00 N ATOM 0 H LYS A 4 10.902 7.205 -19.937 1.00 25.00 H new ATOM 0 HA LYS A 4 12.244 7.573 -17.462 1.00 25.00 H new ATOM 0 HB2 LYS A 4 10.067 8.860 -17.039 1.00 25.00 H new ATOM 0 HB3 LYS A 4 9.207 7.348 -17.250 1.00 25.00 H new ATOM 0 HG2 LYS A 4 10.508 6.346 -15.371 1.00 25.00 H new ATOM 0 HG3 LYS A 4 11.368 7.858 -15.160 1.00 25.00 H new ATOM 0 HD2 LYS A 4 9.218 9.015 -14.672 1.00 25.00 H new ATOM 0 HD3 LYS A 4 8.354 7.506 -14.890 1.00 25.00 H new ATOM 0 HE2 LYS A 4 9.679 6.479 -13.041 1.00 25.00 H new ATOM 0 HE3 LYS A 4 10.544 7.988 -12.822 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 8.734 7.776 -11.223 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 8.433 9.085 -12.262 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 7.596 7.623 -12.474 1.00 25.00 H new ATOM 59 N TYR A 5 10.207 5.267 -18.664 1.00 25.00 N ATOM 60 CA TYR A 5 9.964 3.836 -18.813 1.00 25.00 C ATOM 61 C TYR A 5 10.129 3.478 -20.269 1.00 25.00 C ATOM 62 O TYR A 5 10.181 4.375 -21.111 1.00 25.00 O ATOM 63 CB TYR A 5 8.552 3.489 -18.337 1.00 25.00 C ATOM 64 CG TYR A 5 8.544 2.798 -16.994 1.00 25.00 C ATOM 65 CD1 TYR A 5 8.891 3.497 -15.818 1.00 25.00 C ATOM 66 CD2 TYR A 5 8.211 1.430 -16.889 1.00 25.00 C ATOM 67 CE1 TYR A 5 8.912 2.834 -14.555 1.00 25.00 C ATOM 68 CE2 TYR A 5 8.242 0.765 -15.624 1.00 25.00 C ATOM 69 CZ TYR A 5 8.596 1.478 -14.480 1.00 25.00 C ATOM 70 OH TYR A 5 8.644 0.859 -13.268 1.00 25.00 O ATOM 0 H TYR A 5 9.548 5.852 -19.177 1.00 25.00 H new ATOM 0 HA TYR A 5 10.673 3.270 -18.208 1.00 25.00 H new ATOM 0 HB2 TYR A 5 7.959 4.402 -18.275 1.00 25.00 H new ATOM 0 HB3 TYR A 5 8.072 2.846 -19.075 1.00 25.00 H new ATOM 0 HD1 TYR A 5 9.143 4.546 -15.875 1.00 25.00 H new ATOM 0 HD2 TYR A 5 7.930 0.880 -17.775 1.00 25.00 H new ATOM 0 HE1 TYR A 5 9.172 3.380 -13.660 1.00 25.00 H new ATOM 0 HE2 TYR A 5 7.993 -0.284 -15.555 1.00 25.00 H new ATOM 0 HH TYR A 5 8.398 -0.084 -13.372 1.00 25.00 H new ATOM 80 N LEU A 6 10.229 2.188 -20.572 1.00 25.00 N ATOM 81 CA LEU A 6 10.439 1.741 -21.945 1.00 25.00 C ATOM 82 C LEU A 6 9.234 2.054 -22.813 1.00 25.00 C ATOM 83 O LEU A 6 9.382 2.579 -23.903 1.00 25.00 O ATOM 84 CB LEU A 6 10.707 0.240 -21.979 1.00 25.00 C ATOM 85 CG LEU A 6 11.943 -0.231 -21.201 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.993 -1.727 -21.267 1.00 25.00 C ATOM 87 CD2 LEU A 6 13.246 0.358 -21.759 1.00 25.00 C ATOM 0 H LEU A 6 10.168 1.435 -19.887 1.00 25.00 H new ATOM 0 HA LEU A 6 11.303 2.276 -22.338 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.832 -0.276 -21.583 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.815 -0.068 -23.019 1.00 25.00 H new ATOM 0 HG LEU A 6 11.857 0.116 -20.171 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.865 -2.086 -20.720 1.00 25.00 H new ATOM 0 HD12 LEU A 6 11.089 -2.141 -20.821 1.00 25.00 H new ATOM 0 HD13 LEU A 6 12.062 -2.043 -22.308 1.00 25.00 H new ATOM 0 HD21 LEU A 6 14.090 -0.006 -21.173 1.00 25.00 H new ATOM 0 HD22 LEU A 6 13.367 0.053 -22.799 1.00 25.00 H new ATOM 0 HD23 LEU A 6 13.207 1.446 -21.702 1.00 25.00 H new ATOM 99 N ASN A 7 8.052 1.731 -22.300 1.00 25.00 N ATOM 100 CA ASN A 7 6.778 2.003 -22.979 1.00 25.00 C ATOM 101 C ASN A 7 6.739 1.566 -24.452 1.00 25.00 C ATOM 102 O ASN A 7 6.296 2.302 -25.326 1.00 25.00 O ATOM 103 CB ASN A 7 6.444 3.494 -22.861 1.00 25.00 C ATOM 104 CG ASN A 7 4.991 3.777 -23.137 1.00 25.00 C ATOM 105 OD1 ASN A 7 4.113 3.069 -22.675 1.00 25.00 O ATOM 106 ND2 ASN A 7 4.726 4.830 -23.871 1.00 25.00 N ATOM 0 H ASN A 7 7.944 1.270 -21.396 1.00 25.00 H new ATOM 0 HA ASN A 7 6.026 1.396 -22.474 1.00 25.00 H new ATOM 0 HB2 ASN A 7 6.696 3.842 -21.859 1.00 25.00 H new ATOM 0 HB3 ASN A 7 7.061 4.059 -23.560 1.00 25.00 H new ATOM 0 HD21 ASN A 7 3.758 5.081 -24.073 1.00 25.00 H new ATOM 0 HD22 ASN A 7 5.488 5.399 -24.241 1.00 25.00 H new ATOM 113 N VAL A 8 7.187 0.343 -24.707 1.00 25.00 N ATOM 114 CA VAL A 8 7.115 -0.242 -26.035 1.00 25.00 C ATOM 115 C VAL A 8 6.207 -1.449 -25.893 1.00 25.00 C ATOM 116 O VAL A 8 5.929 -1.864 -24.780 1.00 25.00 O ATOM 117 CB VAL A 8 8.511 -0.661 -26.571 1.00 25.00 C ATOM 118 CG1 VAL A 8 9.362 0.578 -26.862 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.253 -1.587 -25.584 1.00 25.00 C ATOM 0 H VAL A 8 7.607 -0.265 -24.004 1.00 25.00 H new ATOM 0 HA VAL A 8 6.734 0.480 -26.757 1.00 25.00 H new ATOM 0 HB VAL A 8 8.351 -1.218 -27.494 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.338 0.269 -27.237 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.864 1.194 -27.611 1.00 25.00 H new ATOM 0 HG13 VAL A 8 9.491 1.154 -25.946 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.225 -1.856 -25.998 1.00 25.00 H new ATOM 0 HG22 VAL A 8 9.394 -1.069 -24.635 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.665 -2.490 -25.421 1.00 25.00 H new ATOM 129 N LEU A 9 5.733 -2.009 -26.988 1.00 25.00 N ATOM 130 CA LEU A 9 4.836 -3.157 -26.931 1.00 25.00 C ATOM 131 C LEU A 9 5.318 -4.191 -27.917 1.00 25.00 C ATOM 132 O LEU A 9 6.128 -3.898 -28.801 1.00 25.00 O ATOM 133 CB LEU A 9 3.372 -2.759 -27.200 1.00 25.00 C ATOM 134 CG LEU A 9 3.094 -1.730 -28.306 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.745 -2.021 -28.944 1.00 25.00 C ATOM 136 CD2 LEU A 9 3.078 -0.307 -27.731 1.00 25.00 C ATOM 0 H LEU A 9 5.952 -1.691 -27.932 1.00 25.00 H new ATOM 0 HA LEU A 9 4.854 -3.575 -25.924 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.819 -3.666 -27.442 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.956 -2.370 -26.271 1.00 25.00 H new ATOM 0 HG LEU A 9 3.886 -1.803 -29.052 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.548 -1.290 -29.729 1.00 25.00 H new ATOM 0 HD12 LEU A 9 1.755 -3.022 -29.375 1.00 25.00 H new ATOM 0 HD13 LEU A 9 0.963 -1.959 -28.187 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.880 0.406 -28.531 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.298 -0.229 -26.974 1.00 25.00 H new ATOM 0 HD23 LEU A 9 4.045 -0.086 -27.280 1.00 25.00 H new ATOM 148 N ALA A 10 4.892 -5.425 -27.704 1.00 25.00 N ATOM 149 CA ALA A 10 5.380 -6.561 -28.462 1.00 25.00 C ATOM 150 C ALA A 10 4.253 -7.557 -28.711 1.00 25.00 C ATOM 151 O ALA A 10 3.222 -7.504 -28.050 1.00 25.00 O ATOM 152 CB ALA A 10 6.509 -7.233 -27.675 1.00 25.00 C ATOM 0 H ALA A 10 4.196 -5.666 -26.998 1.00 25.00 H new ATOM 0 HA ALA A 10 5.754 -6.220 -29.427 1.00 25.00 H new ATOM 0 HB1 ALA A 10 6.884 -8.089 -28.236 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.318 -6.519 -27.518 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.130 -7.569 -26.710 1.00 25.00 H new ATOM 158 N LYS A 11 4.482 -8.465 -29.643 1.00 25.00 N ATOM 159 CA LYS A 11 3.546 -9.539 -29.938 1.00 25.00 C ATOM 160 C LYS A 11 4.217 -10.851 -29.573 1.00 25.00 C ATOM 161 O LYS A 11 5.380 -11.071 -29.942 1.00 25.00 O ATOM 162 CB LYS A 11 3.168 -9.524 -31.430 1.00 25.00 C ATOM 163 CG LYS A 11 2.128 -10.579 -31.830 1.00 25.00 C ATOM 164 CD LYS A 11 2.747 -11.832 -32.418 1.00 25.00 C ATOM 165 CE LYS A 11 3.102 -11.716 -33.873 1.00 25.00 C ATOM 166 NZ LYS A 11 3.582 -13.054 -34.373 1.00 25.00 N ATOM 0 H LYS A 11 5.324 -8.480 -30.219 1.00 25.00 H new ATOM 0 HA LYS A 11 2.629 -9.412 -29.363 1.00 25.00 H new ATOM 0 HB2 LYS A 11 2.783 -8.537 -31.685 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.070 -9.677 -32.023 1.00 25.00 H new ATOM 0 HG2 LYS A 11 1.538 -10.849 -30.954 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.440 -10.146 -32.556 1.00 25.00 H new ATOM 0 HD2 LYS A 11 3.647 -12.079 -31.854 1.00 25.00 H new ATOM 0 HD3 LYS A 11 2.052 -12.662 -32.290 1.00 25.00 H new ATOM 0 HE2 LYS A 11 2.234 -11.390 -34.447 1.00 25.00 H new ATOM 0 HE3 LYS A 11 3.878 -10.963 -34.012 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 4.308 -12.911 -35.104 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 3.988 -13.595 -33.583 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.782 -13.581 -34.778 1.00 25.00 H new ATOM 180 N ALA A 12 3.498 -11.734 -28.901 1.00 25.00 N ATOM 181 CA ALA A 12 4.041 -13.040 -28.542 1.00 25.00 C ATOM 182 C ALA A 12 4.138 -13.942 -29.773 1.00 25.00 C ATOM 183 O ALA A 12 3.162 -14.159 -30.492 1.00 25.00 O ATOM 184 CB ALA A 12 3.175 -13.693 -27.480 1.00 25.00 C ATOM 0 H ALA A 12 2.539 -11.574 -28.592 1.00 25.00 H new ATOM 0 HA ALA A 12 5.044 -12.897 -28.141 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.590 -14.667 -27.220 1.00 25.00 H new ATOM 0 HB2 ALA A 12 3.149 -13.061 -26.592 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.163 -13.821 -27.864 1.00 25.00 H new ATOM 190 N LEU A 13 5.332 -14.448 -30.029 1.00 25.00 N ATOM 191 CA LEU A 13 5.579 -15.314 -31.174 1.00 25.00 C ATOM 192 C LEU A 13 5.106 -16.728 -30.868 1.00 25.00 C ATOM 193 O LEU A 13 4.712 -17.469 -31.765 1.00 25.00 O ATOM 194 CB LEU A 13 7.079 -15.362 -31.488 1.00 25.00 C ATOM 195 CG LEU A 13 7.731 -14.043 -31.924 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.242 -14.215 -31.987 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.191 -13.600 -33.294 1.00 25.00 C ATOM 0 H LEU A 13 6.156 -14.273 -29.453 1.00 25.00 H new ATOM 0 HA LEU A 13 5.034 -14.914 -32.029 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.601 -15.724 -30.602 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.239 -16.098 -32.276 1.00 25.00 H new ATOM 0 HG LEU A 13 7.487 -13.272 -31.194 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.702 -13.277 -32.297 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.618 -14.496 -31.003 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.490 -14.996 -32.706 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.665 -12.663 -33.586 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.412 -14.366 -34.037 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.112 -13.457 -33.231 1.00 25.00 H new ATOM 209 N TYR A 14 5.153 -17.085 -29.593 1.00 25.00 N ATOM 210 CA TYR A 14 4.783 -18.420 -29.140 1.00 25.00 C ATOM 211 C TYR A 14 3.745 -18.292 -28.040 1.00 25.00 C ATOM 212 O TYR A 14 3.595 -17.228 -27.459 1.00 25.00 O ATOM 213 CB TYR A 14 6.017 -19.150 -28.603 1.00 25.00 C ATOM 214 CG TYR A 14 7.220 -19.083 -29.526 1.00 25.00 C ATOM 215 CD1 TYR A 14 8.217 -18.098 -29.342 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.379 -20.004 -30.581 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.348 -18.027 -30.198 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.511 -19.939 -31.440 1.00 25.00 C ATOM 219 CZ TYR A 14 9.484 -18.944 -31.240 1.00 25.00 C ATOM 220 OH TYR A 14 10.576 -18.889 -32.065 1.00 25.00 O ATOM 0 H TYR A 14 5.448 -16.459 -28.843 1.00 25.00 H new ATOM 0 HA TYR A 14 4.373 -18.991 -29.973 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.288 -18.723 -27.637 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.762 -20.195 -28.430 1.00 25.00 H new ATOM 0 HD1 TYR A 14 8.117 -17.386 -28.536 1.00 25.00 H new ATOM 0 HD2 TYR A 14 6.632 -20.768 -30.739 1.00 25.00 H new ATOM 0 HE1 TYR A 14 10.099 -17.267 -30.043 1.00 25.00 H new ATOM 0 HE2 TYR A 14 8.623 -20.652 -32.244 1.00 25.00 H new ATOM 0 HH TYR A 14 10.515 -19.600 -32.737 1.00 25.00 H new ATOM 230 N ASP A 15 3.044 -19.376 -27.759 1.00 25.00 N ATOM 231 CA ASP A 15 2.083 -19.433 -26.661 1.00 25.00 C ATOM 232 C ASP A 15 2.754 -20.090 -25.461 1.00 25.00 C ATOM 233 O ASP A 15 3.780 -20.759 -25.604 1.00 25.00 O ATOM 234 CB ASP A 15 0.835 -20.232 -27.077 1.00 25.00 C ATOM 235 CG ASP A 15 1.176 -21.502 -27.835 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.122 -22.590 -27.251 1.00 25.00 O ATOM 237 OD2 ASP A 15 1.438 -21.403 -29.061 1.00 25.00 O ATOM 0 H ASP A 15 3.122 -20.247 -28.285 1.00 25.00 H new ATOM 0 HA ASP A 15 1.764 -18.424 -26.401 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.260 -20.489 -26.187 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.197 -19.603 -27.698 1.00 25.00 H new ATOM 242 N ASN A 16 2.198 -19.873 -24.279 1.00 25.00 N ATOM 243 CA ASN A 16 2.703 -20.490 -23.058 1.00 25.00 C ATOM 244 C ASN A 16 1.586 -20.853 -22.091 1.00 25.00 C ATOM 245 O ASN A 16 0.423 -20.488 -22.284 1.00 25.00 O ATOM 246 CB ASN A 16 3.700 -19.548 -22.354 1.00 25.00 C ATOM 247 CG ASN A 16 3.026 -18.527 -21.448 1.00 25.00 C ATOM 248 OD1 ASN A 16 2.018 -17.944 -21.795 1.00 25.00 O ATOM 249 ND2 ASN A 16 3.599 -18.293 -20.297 1.00 25.00 N ATOM 0 H ASN A 16 1.389 -19.268 -24.137 1.00 25.00 H new ATOM 0 HA ASN A 16 3.205 -21.411 -23.353 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.397 -20.143 -21.764 1.00 25.00 H new ATOM 0 HB3 ASN A 16 4.287 -19.023 -23.107 1.00 25.00 H new ATOM 0 HD21 ASN A 16 3.200 -17.603 -19.660 1.00 25.00 H new ATOM 0 HD22 ASN A 16 4.445 -18.800 -20.036 1.00 25.00 H new ATOM 256 N VAL A 17 1.972 -21.510 -21.010 1.00 25.00 N ATOM 257 CA VAL A 17 1.113 -21.765 -19.873 1.00 25.00 C ATOM 258 C VAL A 17 1.980 -21.217 -18.752 1.00 25.00 C ATOM 259 O VAL A 17 3.193 -21.390 -18.803 1.00 25.00 O ATOM 260 CB VAL A 17 0.822 -23.286 -19.674 1.00 25.00 C ATOM 261 CG1 VAL A 17 0.015 -23.533 -18.383 1.00 25.00 C ATOM 262 CG2 VAL A 17 0.040 -23.842 -20.884 1.00 25.00 C ATOM 0 H VAL A 17 2.913 -21.888 -20.899 1.00 25.00 H new ATOM 0 HA VAL A 17 0.121 -21.321 -19.954 1.00 25.00 H new ATOM 0 HB VAL A 17 1.779 -23.801 -19.590 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -0.173 -24.601 -18.270 1.00 25.00 H new ATOM 0 HG12 VAL A 17 0.582 -23.172 -17.525 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -0.935 -23.001 -18.440 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -0.157 -24.903 -20.733 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -0.905 -23.308 -20.983 1.00 25.00 H new ATOM 0 HG23 VAL A 17 0.629 -23.707 -21.791 1.00 25.00 H new ATOM 272 N ALA A 18 1.397 -20.492 -17.810 1.00 25.00 N ATOM 273 CA ALA A 18 2.174 -19.915 -16.722 1.00 25.00 C ATOM 274 C ALA A 18 2.495 -21.030 -15.720 1.00 25.00 C ATOM 275 O ALA A 18 1.588 -21.592 -15.110 1.00 25.00 O ATOM 276 CB ALA A 18 1.381 -18.792 -16.047 1.00 25.00 C ATOM 0 H ALA A 18 0.398 -20.290 -17.775 1.00 25.00 H new ATOM 0 HA ALA A 18 3.100 -19.486 -17.104 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.971 -18.367 -15.235 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.157 -18.015 -16.778 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.450 -19.194 -15.647 1.00 25.00 H new ATOM 282 N GLU A 19 3.770 -21.341 -15.564 1.00 25.00 N ATOM 283 CA GLU A 19 4.214 -22.399 -14.657 1.00 25.00 C ATOM 284 C GLU A 19 4.366 -21.830 -13.255 1.00 25.00 C ATOM 285 O GLU A 19 4.570 -22.545 -12.276 1.00 25.00 O ATOM 286 CB GLU A 19 5.564 -22.965 -15.116 1.00 25.00 C ATOM 287 CG GLU A 19 5.530 -23.619 -16.486 1.00 25.00 C ATOM 288 CD GLU A 19 4.765 -24.944 -16.484 1.00 25.00 C ATOM 289 OE1 GLU A 19 5.277 -25.929 -15.902 1.00 25.00 O ATOM 290 OE2 GLU A 19 3.680 -25.017 -17.109 1.00 25.00 O ATOM 0 H GLU A 19 4.529 -20.872 -16.058 1.00 25.00 H new ATOM 0 HA GLU A 19 3.472 -23.198 -14.660 1.00 25.00 H new ATOM 0 HB2 GLU A 19 6.298 -22.159 -15.128 1.00 25.00 H new ATOM 0 HB3 GLU A 19 5.906 -23.697 -14.384 1.00 25.00 H new ATOM 0 HG2 GLU A 19 5.067 -22.937 -17.199 1.00 25.00 H new ATOM 0 HG3 GLU A 19 6.550 -23.793 -16.827 1.00 25.00 H new ATOM 297 N SER A 20 4.312 -20.514 -13.178 1.00 25.00 N ATOM 298 CA SER A 20 4.514 -19.795 -11.933 1.00 25.00 C ATOM 299 C SER A 20 3.499 -18.667 -11.840 1.00 25.00 C ATOM 300 O SER A 20 3.057 -18.157 -12.870 1.00 25.00 O ATOM 301 CB SER A 20 5.939 -19.255 -11.918 1.00 25.00 C ATOM 302 OG SER A 20 6.861 -20.318 -11.771 1.00 25.00 O ATOM 0 H SER A 20 4.126 -19.911 -13.979 1.00 25.00 H new ATOM 0 HA SER A 20 4.374 -20.451 -11.074 1.00 25.00 H new ATOM 0 HB2 SER A 20 6.141 -18.714 -12.842 1.00 25.00 H new ATOM 0 HB3 SER A 20 6.058 -18.544 -11.100 1.00 25.00 H new ATOM 0 HG SER A 20 7.774 -19.961 -11.764 1.00 25.00 H new ATOM 308 N PRO A 21 3.113 -18.241 -10.619 1.00 25.00 N ATOM 309 CA PRO A 21 2.113 -17.162 -10.527 1.00 25.00 C ATOM 310 C PRO A 21 2.645 -15.784 -10.927 1.00 25.00 C ATOM 311 O PRO A 21 1.881 -14.859 -11.158 1.00 25.00 O ATOM 312 CB PRO A 21 1.738 -17.183 -9.042 1.00 25.00 C ATOM 313 CG PRO A 21 2.976 -17.635 -8.362 1.00 25.00 C ATOM 314 CD PRO A 21 3.520 -18.707 -9.279 1.00 25.00 C ATOM 0 HA PRO A 21 1.282 -17.327 -11.213 1.00 25.00 H new ATOM 0 HB2 PRO A 21 1.430 -16.197 -8.695 1.00 25.00 H new ATOM 0 HB3 PRO A 21 0.907 -17.862 -8.850 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.686 -16.817 -8.238 1.00 25.00 H new ATOM 0 HG3 PRO A 21 2.765 -18.028 -7.367 1.00 25.00 H new ATOM 0 HD2 PRO A 21 4.603 -18.797 -9.196 1.00 25.00 H new ATOM 0 HD3 PRO A 21 3.100 -19.686 -9.048 1.00 25.00 H new ATOM 322 N ASP A 22 3.965 -15.660 -10.985 1.00 25.00 N ATOM 323 CA ASP A 22 4.624 -14.407 -11.368 1.00 25.00 C ATOM 324 C ASP A 22 4.706 -14.315 -12.892 1.00 25.00 C ATOM 325 O ASP A 22 4.852 -13.245 -13.467 1.00 25.00 O ATOM 326 CB ASP A 22 6.044 -14.423 -10.791 1.00 25.00 C ATOM 327 CG ASP A 22 6.749 -13.094 -10.916 1.00 25.00 C ATOM 328 OD1 ASP A 22 6.088 -12.033 -10.849 1.00 25.00 O ATOM 329 OD2 ASP A 22 7.996 -13.112 -10.973 1.00 25.00 O ATOM 0 H ASP A 22 4.611 -16.419 -10.770 1.00 25.00 H new ATOM 0 HA ASP A 22 4.062 -13.554 -10.987 1.00 25.00 H new ATOM 0 HB2 ASP A 22 5.999 -14.706 -9.739 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.629 -15.187 -11.302 1.00 25.00 H new ATOM 334 N GLU A 23 4.585 -15.467 -13.546 1.00 25.00 N ATOM 335 CA GLU A 23 4.668 -15.530 -14.996 1.00 25.00 C ATOM 336 C GLU A 23 3.323 -15.172 -15.616 1.00 25.00 C ATOM 337 O GLU A 23 2.270 -15.640 -15.178 1.00 25.00 O ATOM 338 CB GLU A 23 5.102 -16.934 -15.434 1.00 25.00 C ATOM 339 CG GLU A 23 5.488 -17.014 -16.908 1.00 25.00 C ATOM 340 CD GLU A 23 5.982 -18.399 -17.315 1.00 25.00 C ATOM 341 OE1 GLU A 23 6.702 -18.492 -18.347 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.638 -19.395 -16.642 1.00 25.00 O ATOM 0 H GLU A 23 4.429 -16.367 -13.092 1.00 25.00 H new ATOM 0 HA GLU A 23 5.410 -14.810 -15.341 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.949 -17.251 -14.826 1.00 25.00 H new ATOM 0 HB3 GLU A 23 4.290 -17.635 -15.240 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.626 -16.746 -17.520 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.267 -16.280 -17.115 1.00 25.00 H new ATOM 349 N LEU A 24 3.346 -14.353 -16.649 1.00 25.00 N ATOM 350 CA LEU A 24 2.114 -13.993 -17.336 1.00 25.00 C ATOM 351 C LEU A 24 1.738 -15.109 -18.304 1.00 25.00 C ATOM 352 O LEU A 24 2.581 -15.632 -19.026 1.00 25.00 O ATOM 353 CB LEU A 24 2.297 -12.684 -18.104 1.00 25.00 C ATOM 354 CG LEU A 24 1.315 -11.565 -17.743 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.714 -10.295 -18.492 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.137 -11.943 -18.071 1.00 25.00 C ATOM 0 H LEU A 24 4.191 -13.927 -17.030 1.00 25.00 H new ATOM 0 HA LEU A 24 1.320 -13.857 -16.602 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.311 -12.322 -17.935 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.207 -12.893 -19.170 1.00 25.00 H new ATOM 0 HG LEU A 24 1.364 -11.399 -16.667 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.021 -9.492 -18.242 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.724 -10.005 -18.204 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.682 -10.481 -19.566 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.798 -11.120 -17.798 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.229 -12.143 -19.138 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.417 -12.834 -17.509 1.00 25.00 H new ATOM 368 N SER A 25 0.457 -15.431 -18.358 1.00 25.00 N ATOM 369 CA SER A 25 -0.054 -16.368 -19.347 1.00 25.00 C ATOM 370 C SER A 25 -0.452 -15.554 -20.577 1.00 25.00 C ATOM 371 O SER A 25 -1.115 -14.521 -20.461 1.00 25.00 O ATOM 372 CB SER A 25 -1.259 -17.132 -18.786 1.00 25.00 C ATOM 373 OG SER A 25 -2.198 -16.245 -18.189 1.00 25.00 O ATOM 0 H SER A 25 -0.251 -15.057 -17.727 1.00 25.00 H new ATOM 0 HA SER A 25 0.703 -17.107 -19.609 1.00 25.00 H new ATOM 0 HB2 SER A 25 -1.742 -17.693 -19.586 1.00 25.00 H new ATOM 0 HB3 SER A 25 -0.921 -17.859 -18.047 1.00 25.00 H new ATOM 0 HG SER A 25 -2.957 -16.758 -17.841 1.00 25.00 H new ATOM 379 N PHE A 26 -0.014 -16.005 -21.739 1.00 25.00 N ATOM 380 CA PHE A 26 -0.260 -15.320 -23.002 1.00 25.00 C ATOM 381 C PHE A 26 -0.307 -16.373 -24.098 1.00 25.00 C ATOM 382 O PHE A 26 0.047 -17.531 -23.890 1.00 25.00 O ATOM 383 CB PHE A 26 0.856 -14.303 -23.285 1.00 25.00 C ATOM 384 CG PHE A 26 2.246 -14.898 -23.255 1.00 25.00 C ATOM 385 CD1 PHE A 26 3.016 -14.835 -22.078 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.783 -15.537 -24.396 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.307 -15.411 -22.033 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.085 -16.108 -24.362 1.00 25.00 C ATOM 389 CZ PHE A 26 4.840 -16.048 -23.176 1.00 25.00 C ATOM 0 H PHE A 26 0.527 -16.864 -21.837 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.203 -14.774 -22.960 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.685 -13.852 -24.263 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.798 -13.500 -22.550 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.618 -14.343 -21.203 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.199 -15.592 -25.303 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.887 -15.364 -21.123 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.492 -16.585 -25.241 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.826 -16.488 -23.140 1.00 25.00 H new ATOM 399 N ARG A 27 -0.740 -15.980 -25.281 1.00 25.00 N ATOM 400 CA ARG A 27 -0.787 -16.911 -26.408 1.00 25.00 C ATOM 401 C ARG A 27 -0.081 -16.296 -27.591 1.00 25.00 C ATOM 402 O ARG A 27 0.038 -15.092 -27.670 1.00 25.00 O ATOM 403 CB ARG A 27 -2.238 -17.241 -26.774 1.00 25.00 C ATOM 404 CG ARG A 27 -3.013 -17.899 -25.630 1.00 25.00 C ATOM 405 CD ARG A 27 -4.281 -18.571 -26.132 1.00 25.00 C ATOM 406 NE ARG A 27 -5.230 -17.608 -26.724 1.00 25.00 N ATOM 407 CZ ARG A 27 -6.409 -17.924 -27.249 1.00 25.00 C ATOM 408 NH1 ARG A 27 -6.848 -19.158 -27.289 1.00 25.00 N ATOM 409 NH2 ARG A 27 -7.157 -16.978 -27.741 1.00 25.00 N ATOM 0 H ARG A 27 -1.062 -15.035 -25.492 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.287 -17.838 -26.126 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.749 -16.325 -27.071 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.246 -17.905 -27.639 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.380 -18.636 -25.137 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -3.269 -17.148 -24.883 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.020 -19.324 -26.876 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.764 -19.093 -25.306 1.00 25.00 H new ATOM 0 HE ARG A 27 -4.960 -16.624 -26.731 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -6.279 -19.914 -26.909 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -7.759 -19.362 -27.700 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -6.835 -16.010 -27.720 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -8.065 -17.205 -28.147 1.00 25.00 H new ATOM 423 N LYS A 28 0.351 -17.118 -28.529 1.00 25.00 N ATOM 424 CA LYS A 28 0.917 -16.591 -29.773 1.00 25.00 C ATOM 425 C LYS A 28 -0.121 -15.673 -30.416 1.00 25.00 C ATOM 426 O LYS A 28 -1.288 -16.035 -30.543 1.00 25.00 O ATOM 427 CB LYS A 28 1.336 -17.727 -30.729 1.00 25.00 C ATOM 428 CG LYS A 28 0.249 -18.757 -31.047 1.00 25.00 C ATOM 429 CD LYS A 28 0.838 -19.931 -31.814 1.00 25.00 C ATOM 430 CE LYS A 28 -0.121 -21.113 -31.818 1.00 25.00 C ATOM 431 NZ LYS A 28 0.647 -22.396 -31.825 1.00 25.00 N ATOM 0 H LYS A 28 0.326 -18.136 -28.464 1.00 25.00 H new ATOM 0 HA LYS A 28 1.823 -16.026 -29.555 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.676 -17.283 -31.665 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.189 -18.248 -30.294 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.207 -19.111 -30.122 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.542 -18.291 -31.635 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.054 -19.629 -32.839 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.785 -20.227 -31.363 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -0.766 -21.071 -30.941 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -0.769 -21.063 -32.693 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -0.010 -23.193 -31.947 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 1.330 -22.387 -32.609 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 1.155 -22.501 -30.924 1.00 25.00 H new ATOM 445 N GLY A 29 0.303 -14.469 -30.754 1.00 25.00 N ATOM 446 CA GLY A 29 -0.596 -13.463 -31.304 1.00 25.00 C ATOM 447 C GLY A 29 -1.008 -12.396 -30.306 1.00 25.00 C ATOM 448 O GLY A 29 -1.406 -11.312 -30.710 1.00 25.00 O ATOM 0 H GLY A 29 1.270 -14.160 -30.658 1.00 25.00 H new ATOM 0 HA2 GLY A 29 -0.112 -12.983 -32.155 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.491 -13.957 -31.683 1.00 25.00 H new ATOM 452 N ASP A 30 -0.893 -12.688 -29.019 1.00 25.00 N ATOM 453 CA ASP A 30 -1.278 -11.739 -27.966 1.00 25.00 C ATOM 454 C ASP A 30 -0.337 -10.528 -27.982 1.00 25.00 C ATOM 455 O ASP A 30 0.827 -10.647 -28.387 1.00 25.00 O ATOM 456 CB ASP A 30 -1.209 -12.444 -26.605 1.00 25.00 C ATOM 457 CG ASP A 30 -2.063 -11.771 -25.553 1.00 25.00 C ATOM 458 OD1 ASP A 30 -2.175 -12.349 -24.453 1.00 25.00 O ATOM 459 OD2 ASP A 30 -2.688 -10.723 -25.832 1.00 25.00 O ATOM 0 H ASP A 30 -0.535 -13.577 -28.670 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.295 -11.390 -28.143 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.531 -13.479 -26.720 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.174 -12.468 -26.265 1.00 25.00 H new ATOM 464 N ILE A 31 -0.856 -9.386 -27.560 1.00 25.00 N ATOM 465 CA ILE A 31 -0.110 -8.128 -27.563 1.00 25.00 C ATOM 466 C ILE A 31 0.072 -7.671 -26.126 1.00 25.00 C ATOM 467 O ILE A 31 -0.899 -7.569 -25.375 1.00 25.00 O ATOM 468 CB ILE A 31 -0.873 -7.004 -28.338 1.00 25.00 C ATOM 469 CG1 ILE A 31 -1.262 -7.459 -29.767 1.00 25.00 C ATOM 470 CG2 ILE A 31 -0.029 -5.695 -28.399 1.00 25.00 C ATOM 471 CD1 ILE A 31 -0.091 -7.825 -30.681 1.00 25.00 C ATOM 0 H ILE A 31 -1.808 -9.300 -27.204 1.00 25.00 H new ATOM 0 HA ILE A 31 0.846 -8.302 -28.056 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.792 -6.800 -27.788 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.923 -8.322 -29.688 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.835 -6.662 -30.240 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.583 -4.930 -28.943 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.174 -5.345 -27.387 1.00 25.00 H new ATOM 0 HG23 ILE A 31 0.913 -5.893 -28.910 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.472 -8.129 -31.656 1.00 25.00 H new ATOM 0 HD12 ILE A 31 0.562 -6.960 -30.800 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.473 -8.647 -30.239 1.00 25.00 H new ATOM 483 N MET A 32 1.305 -7.371 -25.745 1.00 25.00 N ATOM 484 CA MET A 32 1.609 -6.921 -24.397 1.00 25.00 C ATOM 485 C MET A 32 2.528 -5.736 -24.416 1.00 25.00 C ATOM 486 O MET A 32 3.365 -5.585 -25.309 1.00 25.00 O ATOM 487 CB MET A 32 2.224 -8.054 -23.568 1.00 25.00 C ATOM 488 CG MET A 32 3.518 -8.671 -24.133 1.00 25.00 C ATOM 489 SD MET A 32 3.209 -9.842 -25.492 1.00 25.00 S ATOM 490 CE MET A 32 2.400 -11.196 -24.629 1.00 25.00 C ATOM 0 H MET A 32 2.118 -7.432 -26.358 1.00 25.00 H new ATOM 0 HA MET A 32 0.671 -6.619 -23.931 1.00 25.00 H new ATOM 0 HB2 MET A 32 2.431 -7.675 -22.567 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.482 -8.846 -23.462 1.00 25.00 H new ATOM 0 HG2 MET A 32 4.170 -7.873 -24.489 1.00 25.00 H new ATOM 0 HG3 MET A 32 4.050 -9.184 -23.332 1.00 25.00 H new ATOM 0 HE1 MET A 32 3.038 -12.080 -24.659 1.00 25.00 H new ATOM 0 HE2 MET A 32 2.223 -10.912 -23.592 1.00 25.00 H new ATOM 0 HE3 MET A 32 1.449 -11.418 -25.112 1.00 25.00 H new ATOM 500 N THR A 33 2.374 -4.878 -23.422 1.00 25.00 N ATOM 501 CA THR A 33 3.224 -3.701 -23.283 1.00 25.00 C ATOM 502 C THR A 33 4.414 -4.107 -22.439 1.00 25.00 C ATOM 503 O THR A 33 4.240 -4.646 -21.358 1.00 25.00 O ATOM 504 CB THR A 33 2.477 -2.543 -22.594 1.00 25.00 C ATOM 505 OG1 THR A 33 1.266 -2.290 -23.311 1.00 25.00 O ATOM 506 CG2 THR A 33 3.301 -1.261 -22.598 1.00 25.00 C ATOM 0 H THR A 33 1.665 -4.973 -22.694 1.00 25.00 H new ATOM 0 HA THR A 33 3.530 -3.350 -24.269 1.00 25.00 H new ATOM 0 HB THR A 33 2.283 -2.832 -21.561 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.779 -1.556 -22.882 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.741 -0.467 -22.104 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.238 -1.429 -22.067 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.514 -0.969 -23.626 1.00 25.00 H new ATOM 514 N VAL A 34 5.617 -3.871 -22.931 1.00 25.00 N ATOM 515 CA VAL A 34 6.833 -4.183 -22.181 1.00 25.00 C ATOM 516 C VAL A 34 7.188 -2.928 -21.405 1.00 25.00 C ATOM 517 O VAL A 34 7.488 -1.868 -21.975 1.00 25.00 O ATOM 518 CB VAL A 34 7.998 -4.602 -23.111 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.304 -4.768 -22.313 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.672 -5.923 -23.827 1.00 25.00 C ATOM 0 H VAL A 34 5.784 -3.463 -23.851 1.00 25.00 H new ATOM 0 HA VAL A 34 6.663 -5.031 -21.518 1.00 25.00 H new ATOM 0 HB VAL A 34 8.130 -3.813 -23.851 1.00 25.00 H new ATOM 0 HG11 VAL A 34 10.108 -5.063 -22.988 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.560 -3.823 -21.834 1.00 25.00 H new ATOM 0 HG13 VAL A 34 9.170 -5.536 -21.551 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.503 -6.200 -24.476 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.512 -6.708 -23.088 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.770 -5.799 -24.426 1.00 25.00 H new ATOM 530 N LEU A 35 7.102 -3.036 -20.093 1.00 25.00 N ATOM 531 CA LEU A 35 7.334 -1.910 -19.207 1.00 25.00 C ATOM 532 C LEU A 35 8.806 -1.820 -18.848 1.00 25.00 C ATOM 533 O LEU A 35 9.384 -0.730 -18.824 1.00 25.00 O ATOM 534 CB LEU A 35 6.511 -2.090 -17.925 1.00 25.00 C ATOM 535 CG LEU A 35 4.988 -2.239 -18.108 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.330 -2.572 -16.769 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.368 -0.952 -18.680 1.00 25.00 C ATOM 0 H LEU A 35 6.870 -3.905 -19.611 1.00 25.00 H new ATOM 0 HA LEU A 35 7.033 -0.993 -19.715 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.881 -2.972 -17.402 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.696 -1.234 -17.276 1.00 25.00 H new ATOM 0 HG LEU A 35 4.812 -3.050 -18.815 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.254 -2.675 -16.908 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.738 -3.507 -16.386 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.528 -1.771 -16.057 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.293 -1.087 -18.798 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.557 -0.123 -17.998 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.815 -0.733 -19.650 1.00 25.00 H new ATOM 549 N GLU A 36 9.398 -2.969 -18.555 1.00 25.00 N ATOM 550 CA GLU A 36 10.774 -3.030 -18.066 1.00 25.00 C ATOM 551 C GLU A 36 11.427 -4.302 -18.611 1.00 25.00 C ATOM 552 O GLU A 36 10.730 -5.231 -19.008 1.00 25.00 O ATOM 553 CB GLU A 36 10.744 -3.040 -16.532 1.00 25.00 C ATOM 554 CG GLU A 36 12.054 -2.697 -15.863 1.00 25.00 C ATOM 555 CD GLU A 36 11.865 -2.452 -14.390 1.00 25.00 C ATOM 556 OE1 GLU A 36 12.053 -1.296 -13.947 1.00 25.00 O ATOM 557 OE2 GLU A 36 11.441 -3.384 -13.683 1.00 25.00 O ATOM 0 H GLU A 36 8.946 -3.879 -18.647 1.00 25.00 H new ATOM 0 HA GLU A 36 11.352 -2.169 -18.400 1.00 25.00 H new ATOM 0 HB2 GLU A 36 9.986 -2.334 -16.194 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.431 -4.029 -16.197 1.00 25.00 H new ATOM 0 HG2 GLU A 36 12.765 -3.510 -16.011 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.483 -1.810 -16.330 1.00 25.00 H new ATOM 564 N ARG A 37 12.754 -4.356 -18.608 1.00 25.00 N ATOM 565 CA ARG A 37 13.496 -5.544 -19.046 1.00 25.00 C ATOM 566 C ARG A 37 14.440 -5.902 -17.933 1.00 25.00 C ATOM 567 O ARG A 37 14.876 -5.026 -17.202 1.00 25.00 O ATOM 568 CB ARG A 37 14.318 -5.275 -20.310 1.00 25.00 C ATOM 569 CG ARG A 37 13.500 -5.111 -21.578 1.00 25.00 C ATOM 570 CD ARG A 37 14.401 -5.122 -22.804 1.00 25.00 C ATOM 571 NE ARG A 37 15.243 -3.920 -22.883 1.00 25.00 N ATOM 572 CZ ARG A 37 14.972 -2.829 -23.593 1.00 25.00 C ATOM 573 NH1 ARG A 37 13.885 -2.716 -24.324 1.00 25.00 N ATOM 574 NH2 ARG A 37 15.810 -1.830 -23.568 1.00 25.00 N ATOM 0 H ARG A 37 13.348 -3.584 -18.304 1.00 25.00 H new ATOM 0 HA ARG A 37 12.791 -6.343 -19.275 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.909 -4.372 -20.157 1.00 25.00 H new ATOM 0 HB3 ARG A 37 15.021 -6.096 -20.451 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.768 -5.915 -21.651 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.942 -4.175 -21.539 1.00 25.00 H new ATOM 0 HD2 ARG A 37 15.036 -6.008 -22.779 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.788 -5.195 -23.703 1.00 25.00 H new ATOM 0 HE ARG A 37 16.111 -3.923 -22.347 1.00 25.00 H new ATOM 0 HH11 ARG A 37 13.213 -3.483 -24.361 1.00 25.00 H new ATOM 0 HH12 ARG A 37 13.714 -1.862 -24.854 1.00 25.00 H new ATOM 0 HH21 ARG A 37 16.661 -1.892 -23.009 1.00 25.00 H new ATOM 0 HH22 ARG A 37 15.615 -0.987 -24.108 1.00 25.00 H new ATOM 588 N ASP A 38 14.735 -7.185 -17.826 1.00 25.00 N ATOM 589 CA ASP A 38 15.669 -7.741 -16.839 1.00 25.00 C ATOM 590 C ASP A 38 15.158 -7.382 -15.438 1.00 25.00 C ATOM 591 O ASP A 38 15.907 -7.128 -14.497 1.00 25.00 O ATOM 592 CB ASP A 38 17.095 -7.255 -17.136 1.00 25.00 C ATOM 593 CG ASP A 38 17.445 -7.376 -18.621 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.926 -6.377 -19.210 1.00 25.00 O ATOM 595 OD2 ASP A 38 17.108 -8.425 -19.239 1.00 25.00 O ATOM 0 H ASP A 38 14.326 -7.894 -18.434 1.00 25.00 H new ATOM 0 HA ASP A 38 15.717 -8.829 -16.895 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.196 -6.216 -16.823 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.806 -7.835 -16.548 1.00 25.00 H new ATOM 600 N THR A 39 13.834 -7.354 -15.344 1.00 25.00 N ATOM 601 CA THR A 39 13.103 -6.834 -14.181 1.00 25.00 C ATOM 602 C THR A 39 13.234 -7.708 -12.932 1.00 25.00 C ATOM 603 O THR A 39 13.043 -7.254 -11.812 1.00 25.00 O ATOM 604 CB THR A 39 11.589 -6.735 -14.555 1.00 25.00 C ATOM 605 OG1 THR A 39 10.862 -6.039 -13.543 1.00 25.00 O ATOM 606 CG2 THR A 39 10.960 -8.132 -14.747 1.00 25.00 C ATOM 0 H THR A 39 13.222 -7.697 -16.084 1.00 25.00 H new ATOM 0 HA THR A 39 13.537 -5.864 -13.939 1.00 25.00 H new ATOM 0 HB THR A 39 11.530 -6.187 -15.495 1.00 25.00 H new ATOM 0 HG1 THR A 39 10.969 -5.073 -13.669 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.907 -8.024 -15.006 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.479 -8.658 -15.548 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.050 -8.702 -13.822 1.00 25.00 H new ATOM 614 N GLN A 40 13.593 -8.962 -13.145 1.00 25.00 N ATOM 615 CA GLN A 40 13.704 -9.931 -12.063 1.00 25.00 C ATOM 616 C GLN A 40 15.169 -10.144 -11.697 1.00 25.00 C ATOM 617 O GLN A 40 15.510 -11.046 -10.935 1.00 25.00 O ATOM 618 CB GLN A 40 13.072 -11.255 -12.512 1.00 25.00 C ATOM 619 CG GLN A 40 12.406 -12.056 -11.390 1.00 25.00 C ATOM 620 CD GLN A 40 11.160 -11.385 -10.840 1.00 25.00 C ATOM 621 OE1 GLN A 40 10.629 -10.455 -11.426 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.693 -11.861 -9.717 1.00 25.00 N ATOM 0 H GLN A 40 13.815 -9.338 -14.067 1.00 25.00 H new ATOM 0 HA GLN A 40 13.181 -9.558 -11.183 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.329 -11.045 -13.281 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.843 -11.872 -12.973 1.00 25.00 H new ATOM 0 HG2 GLN A 40 12.144 -13.046 -11.764 1.00 25.00 H new ATOM 0 HG3 GLN A 40 13.121 -12.201 -10.580 1.00 25.00 H new ATOM 0 HE21 GLN A 40 11.165 -12.640 -9.257 1.00 25.00 H new ATOM 0 HE22 GLN A 40 9.856 -11.454 -9.300 1.00 25.00 H new ATOM 631 N GLY A 41 16.041 -9.352 -12.303 1.00 25.00 N ATOM 632 CA GLY A 41 17.473 -9.552 -12.147 1.00 25.00 C ATOM 633 C GLY A 41 17.923 -10.715 -13.011 1.00 25.00 C ATOM 634 O GLY A 41 19.027 -11.224 -12.876 1.00 25.00 O ATOM 0 H GLY A 41 15.784 -8.569 -12.904 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.010 -8.647 -12.431 1.00 25.00 H new ATOM 0 HA3 GLY A 41 17.711 -9.749 -11.102 1.00 25.00 H new ATOM 638 N LEU A 42 17.035 -11.139 -13.901 1.00 25.00 N ATOM 639 CA LEU A 42 17.288 -12.247 -14.815 1.00 25.00 C ATOM 640 C LEU A 42 17.340 -11.709 -16.232 1.00 25.00 C ATOM 641 O LEU A 42 16.365 -11.127 -16.718 1.00 25.00 O ATOM 642 CB LEU A 42 16.167 -13.293 -14.721 1.00 25.00 C ATOM 643 CG LEU A 42 15.964 -14.008 -13.376 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.753 -14.932 -13.502 1.00 25.00 C ATOM 645 CD2 LEU A 42 17.192 -14.810 -12.969 1.00 25.00 C ATOM 0 H LEU A 42 16.111 -10.721 -14.010 1.00 25.00 H new ATOM 0 HA LEU A 42 18.233 -12.719 -14.547 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.229 -12.804 -14.985 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.354 -14.053 -15.479 1.00 25.00 H new ATOM 0 HG LEU A 42 15.799 -13.260 -12.601 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.591 -15.450 -12.557 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.870 -14.343 -13.749 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.933 -15.663 -14.290 1.00 25.00 H new ATOM 0 HD21 LEU A 42 17.006 -15.299 -12.013 1.00 25.00 H new ATOM 0 HD22 LEU A 42 17.402 -15.564 -13.728 1.00 25.00 H new ATOM 0 HD23 LEU A 42 18.048 -14.142 -12.874 1.00 25.00 H new ATOM 657 N ASP A 43 18.464 -11.916 -16.890 1.00 25.00 N ATOM 658 CA ASP A 43 18.670 -11.438 -18.249 1.00 25.00 C ATOM 659 C ASP A 43 17.608 -12.015 -19.180 1.00 25.00 C ATOM 660 O ASP A 43 17.388 -13.232 -19.236 1.00 25.00 O ATOM 661 CB ASP A 43 20.052 -11.863 -18.774 1.00 25.00 C ATOM 662 CG ASP A 43 21.200 -11.114 -18.100 1.00 25.00 C ATOM 663 OD1 ASP A 43 22.075 -10.606 -18.831 1.00 25.00 O ATOM 664 OD2 ASP A 43 21.262 -11.089 -16.851 1.00 25.00 O ATOM 0 H ASP A 43 19.261 -12.419 -16.501 1.00 25.00 H new ATOM 0 HA ASP A 43 18.603 -10.350 -18.229 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.181 -12.934 -18.616 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.095 -11.692 -19.850 1.00 25.00 H new ATOM 669 N GLY A 44 16.960 -11.139 -19.928 1.00 25.00 N ATOM 670 CA GLY A 44 15.990 -11.567 -20.919 1.00 25.00 C ATOM 671 C GLY A 44 14.568 -11.738 -20.419 1.00 25.00 C ATOM 672 O GLY A 44 13.689 -12.059 -21.217 1.00 25.00 O ATOM 0 H GLY A 44 17.088 -10.129 -19.868 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.985 -10.841 -21.732 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.323 -12.515 -21.341 1.00 25.00 H new ATOM 676 N TRP A 45 14.304 -11.512 -19.140 1.00 25.00 N ATOM 677 CA TRP A 45 12.933 -11.612 -18.622 1.00 25.00 C ATOM 678 C TRP A 45 12.347 -10.217 -18.484 1.00 25.00 C ATOM 679 O TRP A 45 12.957 -9.339 -17.887 1.00 25.00 O ATOM 680 CB TRP A 45 12.925 -12.335 -17.284 1.00 25.00 C ATOM 681 CG TRP A 45 13.070 -13.806 -17.467 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.220 -14.510 -17.612 1.00 25.00 C ATOM 683 CD2 TRP A 45 12.012 -14.781 -17.549 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.979 -15.840 -17.777 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.625 -16.055 -17.739 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.606 -14.712 -17.474 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.878 -17.246 -17.855 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.852 -15.906 -17.579 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.497 -17.160 -17.772 1.00 25.00 C ATOM 0 H TRP A 45 15.006 -11.261 -18.444 1.00 25.00 H new ATOM 0 HA TRP A 45 12.322 -12.187 -19.318 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.737 -11.961 -16.661 1.00 25.00 H new ATOM 0 HB3 TRP A 45 11.995 -12.121 -16.757 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.206 -14.070 -17.598 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.690 -16.560 -17.908 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.111 -13.762 -17.338 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.368 -18.197 -18.004 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.775 -15.865 -17.512 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.902 -18.057 -17.855 1.00 25.00 H new ATOM 700 N TRP A 46 11.214 -9.980 -19.121 1.00 25.00 N ATOM 701 CA TRP A 46 10.662 -8.633 -19.216 1.00 25.00 C ATOM 702 C TRP A 46 9.362 -8.519 -18.443 1.00 25.00 C ATOM 703 O TRP A 46 8.542 -9.431 -18.463 1.00 25.00 O ATOM 704 CB TRP A 46 10.416 -8.296 -20.688 1.00 25.00 C ATOM 705 CG TRP A 46 11.654 -8.370 -21.581 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.948 -8.596 -21.207 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.697 -8.211 -23.007 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.789 -8.592 -22.279 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.060 -8.349 -23.410 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.720 -7.969 -23.991 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.462 -8.237 -24.759 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.115 -7.862 -25.343 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.486 -7.993 -25.714 1.00 25.00 C ATOM 0 H TRP A 46 10.656 -10.699 -19.581 1.00 25.00 H new ATOM 0 HA TRP A 46 11.376 -7.932 -18.784 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.662 -8.978 -21.081 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.000 -7.290 -20.751 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.265 -8.758 -20.187 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.797 -8.745 -22.244 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.681 -7.866 -23.716 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.500 -8.338 -25.039 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.371 -7.679 -26.104 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.768 -7.901 -26.752 1.00 25.00 H new ATOM 724 N LEU A 47 9.147 -7.376 -17.811 1.00 25.00 N ATOM 725 CA LEU A 47 7.878 -7.121 -17.135 1.00 25.00 C ATOM 726 C LEU A 47 6.909 -6.661 -18.194 1.00 25.00 C ATOM 727 O LEU A 47 7.089 -5.589 -18.791 1.00 25.00 O ATOM 728 CB LEU A 47 8.009 -6.032 -16.060 1.00 25.00 C ATOM 729 CG LEU A 47 6.711 -5.728 -15.281 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.228 -6.948 -14.489 1.00 25.00 C ATOM 731 CD2 LEU A 47 6.971 -4.558 -14.335 1.00 25.00 C ATOM 0 H LEU A 47 9.824 -6.616 -17.750 1.00 25.00 H new ATOM 0 HA LEU A 47 7.542 -8.028 -16.632 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.779 -6.333 -15.350 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.354 -5.113 -16.534 1.00 25.00 H new ATOM 0 HG LEU A 47 5.927 -5.472 -15.993 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.313 -6.695 -13.954 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.032 -7.772 -15.175 1.00 25.00 H new ATOM 0 HD13 LEU A 47 6.996 -7.245 -13.774 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.062 -4.332 -13.778 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.767 -4.823 -13.639 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.270 -3.683 -14.912 1.00 25.00 H new ATOM 743 N CYS A 48 5.905 -7.468 -18.460 1.00 25.00 N ATOM 744 CA CYS A 48 4.922 -7.137 -19.469 1.00 25.00 C ATOM 745 C CYS A 48 3.564 -6.914 -18.832 1.00 25.00 C ATOM 746 O CYS A 48 3.303 -7.378 -17.733 1.00 25.00 O ATOM 747 CB CYS A 48 4.856 -8.242 -20.501 1.00 25.00 C ATOM 748 SG CYS A 48 6.451 -8.510 -21.297 1.00 25.00 S ATOM 0 H CYS A 48 5.748 -8.360 -17.991 1.00 25.00 H new ATOM 0 HA CYS A 48 5.218 -6.213 -19.965 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.528 -9.166 -20.024 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.111 -7.991 -21.256 1.00 25.00 H new ATOM 0 HG CYS A 48 7.325 -8.872 -20.406 1.00 25.00 H new ATOM 754 N SER A 49 2.706 -6.206 -19.545 1.00 25.00 N ATOM 755 CA SER A 49 1.349 -5.936 -19.087 1.00 25.00 C ATOM 756 C SER A 49 0.371 -6.149 -20.227 1.00 25.00 C ATOM 757 O SER A 49 0.544 -5.580 -21.316 1.00 25.00 O ATOM 758 CB SER A 49 1.244 -4.496 -18.589 1.00 25.00 C ATOM 759 OG SER A 49 -0.087 -4.194 -18.198 1.00 25.00 O ATOM 0 H SER A 49 2.926 -5.802 -20.455 1.00 25.00 H new ATOM 0 HA SER A 49 1.109 -6.617 -18.271 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.918 -4.348 -17.745 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.561 -3.811 -19.375 1.00 25.00 H new ATOM 0 HG SER A 49 -0.133 -3.268 -17.881 1.00 25.00 H new ATOM 765 N LEU A 50 -0.640 -6.962 -19.981 1.00 25.00 N ATOM 766 CA LEU A 50 -1.700 -7.216 -20.953 1.00 25.00 C ATOM 767 C LEU A 50 -3.044 -7.408 -20.255 1.00 25.00 C ATOM 768 O LEU A 50 -3.116 -7.984 -19.179 1.00 25.00 O ATOM 769 CB LEU A 50 -1.372 -8.448 -21.806 1.00 25.00 C ATOM 770 CG LEU A 50 -1.156 -9.801 -21.100 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.404 -10.675 -21.116 1.00 25.00 C ATOM 772 CD2 LEU A 50 -0.041 -10.530 -21.806 1.00 25.00 C ATOM 0 H LEU A 50 -0.754 -7.468 -19.102 1.00 25.00 H new ATOM 0 HA LEU A 50 -1.768 -6.346 -21.606 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -2.180 -8.576 -22.526 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.470 -8.225 -22.376 1.00 25.00 H new ATOM 0 HG LEU A 50 -0.911 -9.601 -20.057 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.196 -11.615 -20.606 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -3.217 -10.158 -20.607 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -2.693 -10.878 -22.147 1.00 25.00 H new ATOM 0 HD21 LEU A 50 0.129 -11.492 -21.322 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.315 -10.692 -22.849 1.00 25.00 H new ATOM 0 HD23 LEU A 50 0.870 -9.934 -21.759 1.00 25.00 H new ATOM 784 N HIS A 51 -4.095 -6.883 -20.876 1.00 25.00 N ATOM 785 CA HIS A 51 -5.473 -7.001 -20.368 1.00 25.00 C ATOM 786 C HIS A 51 -5.622 -6.655 -18.868 1.00 25.00 C ATOM 787 O HIS A 51 -6.386 -7.285 -18.144 1.00 25.00 O ATOM 788 CB HIS A 51 -6.019 -8.404 -20.670 1.00 25.00 C ATOM 789 CG HIS A 51 -6.030 -8.736 -22.131 1.00 25.00 C ATOM 790 ND1 HIS A 51 -5.030 -9.416 -22.780 1.00 25.00 N ATOM 791 CD2 HIS A 51 -6.944 -8.448 -23.097 1.00 25.00 C ATOM 792 CE1 HIS A 51 -5.349 -9.508 -24.066 1.00 25.00 C ATOM 793 NE2 HIS A 51 -6.510 -8.933 -24.317 1.00 25.00 N ATOM 0 H HIS A 51 -4.024 -6.360 -21.749 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.066 -6.253 -20.894 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -5.416 -9.142 -20.142 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -7.034 -8.483 -20.279 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -7.871 -7.919 -22.935 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -4.736 -9.992 -24.812 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -6.985 -8.862 -25.217 1.00 25.00 H new ATOM 801 N GLY A 52 -4.893 -5.638 -18.415 1.00 25.00 N ATOM 802 CA GLY A 52 -5.012 -5.182 -17.038 1.00 25.00 C ATOM 803 C GLY A 52 -4.225 -5.992 -16.023 1.00 25.00 C ATOM 804 O GLY A 52 -4.340 -5.749 -14.827 1.00 25.00 O ATOM 0 H GLY A 52 -4.219 -5.119 -18.978 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.684 -4.144 -16.985 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.065 -5.198 -16.756 1.00 25.00 H new ATOM 808 N ARG A 53 -3.429 -6.945 -16.487 1.00 25.00 N ATOM 809 CA ARG A 53 -2.603 -7.774 -15.597 1.00 25.00 C ATOM 810 C ARG A 53 -1.148 -7.645 -16.007 1.00 25.00 C ATOM 811 O ARG A 53 -0.844 -7.533 -17.185 1.00 25.00 O ATOM 812 CB ARG A 53 -3.014 -9.239 -15.708 1.00 25.00 C ATOM 813 CG ARG A 53 -4.437 -9.508 -15.231 1.00 25.00 C ATOM 814 CD ARG A 53 -4.776 -10.991 -15.332 1.00 25.00 C ATOM 815 NE ARG A 53 -3.901 -11.805 -14.463 1.00 25.00 N ATOM 816 CZ ARG A 53 -3.964 -13.126 -14.321 1.00 25.00 C ATOM 817 NH1 ARG A 53 -4.866 -13.851 -14.950 1.00 25.00 N ATOM 818 NH2 ARG A 53 -3.115 -13.724 -13.533 1.00 25.00 N ATOM 0 H ARG A 53 -3.332 -7.170 -17.477 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.741 -7.437 -14.570 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.921 -9.557 -16.746 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -2.323 -9.848 -15.125 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -4.547 -9.176 -14.199 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -5.140 -8.929 -15.829 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -5.817 -11.148 -15.051 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -4.672 -11.320 -16.366 1.00 25.00 H new ATOM 0 HE ARG A 53 -3.188 -11.312 -13.926 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -5.542 -13.401 -15.567 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -4.888 -14.862 -14.820 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -2.412 -13.179 -13.033 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -3.154 -14.737 -13.416 1.00 25.00 H new ATOM 832 N GLN A 54 -0.261 -7.682 -15.029 1.00 25.00 N ATOM 833 CA GLN A 54 1.172 -7.605 -15.276 1.00 25.00 C ATOM 834 C GLN A 54 1.818 -8.886 -14.790 1.00 25.00 C ATOM 835 O GLN A 54 1.337 -9.500 -13.845 1.00 25.00 O ATOM 836 CB GLN A 54 1.790 -6.414 -14.527 1.00 25.00 C ATOM 837 CG GLN A 54 1.173 -5.068 -14.875 1.00 25.00 C ATOM 838 CD GLN A 54 0.233 -4.560 -13.806 1.00 25.00 C ATOM 839 OE1 GLN A 54 -0.674 -5.254 -13.372 1.00 25.00 O ATOM 840 NE2 GLN A 54 0.430 -3.337 -13.390 1.00 25.00 N ATOM 0 H GLN A 54 -0.510 -7.766 -14.043 1.00 25.00 H new ATOM 0 HA GLN A 54 1.342 -7.470 -16.344 1.00 25.00 H new ATOM 0 HB2 GLN A 54 1.688 -6.581 -13.455 1.00 25.00 H new ATOM 0 HB3 GLN A 54 2.858 -6.378 -14.743 1.00 25.00 H new ATOM 0 HG2 GLN A 54 1.968 -4.338 -15.030 1.00 25.00 H new ATOM 0 HG3 GLN A 54 0.632 -5.154 -15.817 1.00 25.00 H new ATOM 0 HE21 GLN A 54 1.197 -2.785 -13.774 1.00 25.00 H new ATOM 0 HE22 GLN A 54 -0.183 -2.934 -12.681 1.00 25.00 H new ATOM 849 N GLY A 55 2.910 -9.265 -15.430 1.00 25.00 N ATOM 850 CA GLY A 55 3.670 -10.437 -15.017 1.00 25.00 C ATOM 851 C GLY A 55 4.934 -10.546 -15.844 1.00 25.00 C ATOM 852 O GLY A 55 5.087 -9.811 -16.835 1.00 25.00 O ATOM 0 H GLY A 55 3.293 -8.778 -16.240 1.00 25.00 H new ATOM 0 HA2 GLY A 55 3.922 -10.364 -13.959 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.065 -11.336 -15.140 1.00 25.00 H new ATOM 856 N ILE A 56 5.844 -11.424 -15.456 1.00 25.00 N ATOM 857 CA ILE A 56 7.099 -11.575 -16.184 1.00 25.00 C ATOM 858 C ILE A 56 6.886 -12.480 -17.395 1.00 25.00 C ATOM 859 O ILE A 56 6.038 -13.375 -17.388 1.00 25.00 O ATOM 860 CB ILE A 56 8.269 -12.114 -15.281 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.045 -13.585 -14.866 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.433 -11.210 -14.036 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.238 -14.237 -14.150 1.00 25.00 C ATOM 0 H ILE A 56 5.742 -12.039 -14.649 1.00 25.00 H new ATOM 0 HA ILE A 56 7.404 -10.583 -16.518 1.00 25.00 H new ATOM 0 HB ILE A 56 9.188 -12.084 -15.867 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.174 -13.636 -14.212 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.810 -14.168 -15.756 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.245 -11.589 -13.415 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.663 -10.193 -14.353 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.507 -11.210 -13.462 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.991 -15.268 -13.896 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.108 -14.223 -14.806 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.463 -13.683 -13.239 1.00 25.00 H new ATOM 875 N VAL A 57 7.623 -12.193 -18.455 1.00 25.00 N ATOM 876 CA VAL A 57 7.515 -12.926 -19.717 1.00 25.00 C ATOM 877 C VAL A 57 8.923 -13.091 -20.274 1.00 25.00 C ATOM 878 O VAL A 57 9.694 -12.124 -20.301 1.00 25.00 O ATOM 879 CB VAL A 57 6.670 -12.115 -20.751 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.664 -12.777 -22.130 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.230 -11.950 -20.256 1.00 25.00 C ATOM 0 H VAL A 57 8.316 -11.445 -18.470 1.00 25.00 H new ATOM 0 HA VAL A 57 7.033 -13.888 -19.543 1.00 25.00 H new ATOM 0 HB VAL A 57 7.138 -11.135 -20.848 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.065 -12.180 -22.818 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.685 -12.846 -22.505 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.238 -13.777 -22.052 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.656 -11.383 -20.989 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.777 -12.932 -20.122 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.231 -11.418 -19.305 1.00 25.00 H new ATOM 891 N PRO A 58 9.284 -14.297 -20.756 1.00 25.00 N ATOM 892 CA PRO A 58 10.604 -14.349 -21.390 1.00 25.00 C ATOM 893 C PRO A 58 10.606 -13.562 -22.711 1.00 25.00 C ATOM 894 O PRO A 58 9.836 -13.852 -23.629 1.00 25.00 O ATOM 895 CB PRO A 58 10.821 -15.846 -21.606 1.00 25.00 C ATOM 896 CG PRO A 58 9.434 -16.403 -21.747 1.00 25.00 C ATOM 897 CD PRO A 58 8.583 -15.599 -20.814 1.00 25.00 C ATOM 0 HA PRO A 58 11.397 -13.896 -20.795 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.419 -16.037 -22.497 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.348 -16.297 -20.765 1.00 25.00 H new ATOM 0 HG2 PRO A 58 9.079 -16.317 -22.774 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.408 -17.462 -21.488 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.565 -15.492 -21.188 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.514 -16.064 -19.830 1.00 25.00 H new ATOM 905 N GLY A 59 11.453 -12.544 -22.789 1.00 25.00 N ATOM 906 CA GLY A 59 11.451 -11.632 -23.927 1.00 25.00 C ATOM 907 C GLY A 59 11.827 -12.273 -25.235 1.00 25.00 C ATOM 908 O GLY A 59 11.443 -11.800 -26.297 1.00 25.00 O ATOM 0 H GLY A 59 12.151 -12.328 -22.077 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.458 -11.192 -24.023 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.143 -10.815 -23.724 1.00 25.00 H new ATOM 912 N ASN A 60 12.537 -13.387 -25.168 1.00 25.00 N ATOM 913 CA ASN A 60 12.905 -14.136 -26.371 1.00 25.00 C ATOM 914 C ASN A 60 11.675 -14.603 -27.152 1.00 25.00 C ATOM 915 O ASN A 60 11.725 -14.757 -28.366 1.00 25.00 O ATOM 916 CB ASN A 60 13.758 -15.347 -25.975 1.00 25.00 C ATOM 917 CG ASN A 60 14.154 -16.181 -27.162 1.00 25.00 C ATOM 918 OD1 ASN A 60 13.553 -17.199 -27.443 1.00 25.00 O ATOM 919 ND2 ASN A 60 15.176 -15.755 -27.861 1.00 25.00 N ATOM 0 H ASN A 60 12.873 -13.797 -24.297 1.00 25.00 H new ATOM 0 HA ASN A 60 13.474 -13.471 -27.020 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.655 -15.003 -25.460 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.202 -15.965 -25.269 1.00 25.00 H new ATOM 0 HD21 ASN A 60 15.494 -16.283 -28.674 1.00 25.00 H new ATOM 0 HD22 ASN A 60 15.654 -14.895 -27.593 1.00 25.00 H new ATOM 926 N ARG A 61 10.555 -14.790 -26.464 1.00 25.00 N ATOM 927 CA ARG A 61 9.323 -15.226 -27.127 1.00 25.00 C ATOM 928 C ARG A 61 8.519 -14.066 -27.704 1.00 25.00 C ATOM 929 O ARG A 61 7.393 -14.273 -28.166 1.00 25.00 O ATOM 930 CB ARG A 61 8.439 -16.009 -26.144 1.00 25.00 C ATOM 931 CG ARG A 61 9.064 -17.300 -25.622 1.00 25.00 C ATOM 932 CD ARG A 61 7.981 -18.203 -25.018 1.00 25.00 C ATOM 933 NE ARG A 61 8.543 -19.409 -24.385 1.00 25.00 N ATOM 934 CZ ARG A 61 7.848 -20.483 -24.024 1.00 25.00 C ATOM 935 NH1 ARG A 61 6.559 -20.588 -24.235 1.00 25.00 N ATOM 936 NH2 ARG A 61 8.465 -21.479 -23.441 1.00 25.00 N ATOM 0 H ARG A 61 10.470 -14.649 -25.457 1.00 25.00 H new ATOM 0 HA ARG A 61 9.627 -15.864 -27.957 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.202 -15.366 -25.296 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.496 -16.249 -26.635 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.572 -17.821 -26.433 1.00 25.00 H new ATOM 0 HG3 ARG A 61 9.818 -17.070 -24.869 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.413 -17.639 -24.278 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.281 -18.499 -25.800 1.00 25.00 H new ATOM 0 HE ARG A 61 9.548 -19.421 -24.209 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.053 -19.829 -24.691 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.061 -21.429 -23.943 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.469 -21.426 -23.268 1.00 25.00 H new ATOM 0 HH22 ARG A 61 7.942 -22.308 -23.160 1.00 25.00 H new ATOM 950 N LEU A 62 9.065 -12.858 -27.668 1.00 25.00 N ATOM 951 CA LEU A 62 8.334 -11.668 -28.109 1.00 25.00 C ATOM 952 C LEU A 62 9.014 -10.967 -29.279 1.00 25.00 C ATOM 953 O LEU A 62 10.235 -10.896 -29.347 1.00 25.00 O ATOM 954 CB LEU A 62 8.220 -10.672 -26.943 1.00 25.00 C ATOM 955 CG LEU A 62 7.595 -11.168 -25.625 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.555 -10.006 -24.615 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.197 -11.714 -25.853 1.00 25.00 C ATOM 0 H LEU A 62 10.012 -12.672 -27.338 1.00 25.00 H new ATOM 0 HA LEU A 62 7.350 -12.001 -28.438 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.221 -10.304 -26.720 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.636 -9.819 -27.289 1.00 25.00 H new ATOM 0 HG LEU A 62 8.207 -11.979 -25.229 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.113 -10.351 -23.680 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.569 -9.651 -24.428 1.00 25.00 H new ATOM 0 HD13 LEU A 62 6.955 -9.192 -25.021 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.781 -12.057 -24.905 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.563 -10.929 -26.265 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.242 -12.549 -26.552 1.00 25.00 H new ATOM 969 N LYS A 63 8.220 -10.376 -30.160 1.00 25.00 N ATOM 970 CA LYS A 63 8.754 -9.506 -31.216 1.00 25.00 C ATOM 971 C LYS A 63 8.177 -8.122 -31.001 1.00 25.00 C ATOM 972 O LYS A 63 6.959 -7.951 -30.984 1.00 25.00 O ATOM 973 CB LYS A 63 8.412 -10.012 -32.620 1.00 25.00 C ATOM 974 CG LYS A 63 8.964 -9.073 -33.724 1.00 25.00 C ATOM 975 CD LYS A 63 8.730 -9.595 -35.139 1.00 25.00 C ATOM 976 CE LYS A 63 9.263 -8.570 -36.165 1.00 25.00 C ATOM 977 NZ LYS A 63 9.097 -9.018 -37.598 1.00 25.00 N ATOM 0 H LYS A 63 7.205 -10.478 -30.171 1.00 25.00 H new ATOM 0 HA LYS A 63 9.842 -9.496 -31.153 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.823 -11.012 -32.755 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.330 -10.096 -32.722 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.496 -8.094 -33.624 1.00 25.00 H new ATOM 0 HG3 LYS A 63 10.034 -8.932 -33.569 1.00 25.00 H new ATOM 0 HD2 LYS A 63 9.233 -10.553 -35.272 1.00 25.00 H new ATOM 0 HD3 LYS A 63 7.666 -9.768 -35.302 1.00 25.00 H new ATOM 0 HE2 LYS A 63 8.743 -7.622 -36.025 1.00 25.00 H new ATOM 0 HE3 LYS A 63 10.319 -8.386 -35.969 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 8.926 -8.190 -38.203 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 9.961 -9.504 -37.912 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 8.289 -9.669 -37.667 1.00 25.00 H new ATOM 991 N ILE A 64 9.063 -7.153 -30.828 1.00 25.00 N ATOM 992 CA ILE A 64 8.686 -5.755 -30.603 1.00 25.00 C ATOM 993 C ILE A 64 7.868 -5.258 -31.804 1.00 25.00 C ATOM 994 O ILE A 64 8.189 -5.570 -32.960 1.00 25.00 O ATOM 995 CB ILE A 64 9.973 -4.869 -30.404 1.00 25.00 C ATOM 996 CG1 ILE A 64 10.848 -5.403 -29.247 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.614 -3.389 -30.145 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.191 -5.372 -27.837 1.00 25.00 C ATOM 0 H ILE A 64 10.071 -7.309 -30.839 1.00 25.00 H new ATOM 0 HA ILE A 64 8.081 -5.679 -29.699 1.00 25.00 H new ATOM 0 HB ILE A 64 10.541 -4.928 -31.332 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.131 -6.431 -29.474 1.00 25.00 H new ATOM 0 HG13 ILE A 64 11.768 -4.820 -29.212 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.528 -2.811 -30.013 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.056 -2.996 -30.995 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.004 -3.315 -29.244 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.890 -5.768 -27.101 1.00 25.00 H new ATOM 0 HD12 ILE A 64 9.934 -4.345 -27.578 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.287 -5.981 -27.843 1.00 25.00 H new ATOM 1010 N LEU A 65 6.793 -4.535 -31.528 1.00 25.00 N ATOM 1011 CA LEU A 65 5.914 -4.013 -32.558 1.00 25.00 C ATOM 1012 C LEU A 65 6.499 -2.708 -33.097 1.00 25.00 C ATOM 1013 O LEU A 65 7.550 -2.274 -32.661 1.00 25.00 O ATOM 1014 CB LEU A 65 4.509 -3.790 -31.977 1.00 25.00 C ATOM 1015 CG LEU A 65 3.386 -4.547 -32.707 1.00 25.00 C ATOM 1016 CD1 LEU A 65 3.558 -6.055 -32.598 1.00 25.00 C ATOM 1017 CD2 LEU A 65 2.031 -4.153 -32.141 1.00 25.00 C ATOM 0 H LEU A 65 6.507 -4.294 -30.579 1.00 25.00 H new ATOM 0 HA LEU A 65 5.831 -4.726 -33.378 1.00 25.00 H new ATOM 0 HB2 LEU A 65 4.511 -4.092 -30.930 1.00 25.00 H new ATOM 0 HB3 LEU A 65 4.285 -2.723 -32.001 1.00 25.00 H new ATOM 0 HG LEU A 65 3.441 -4.272 -33.760 1.00 25.00 H new ATOM 0 HD11 LEU A 65 2.745 -6.553 -33.126 1.00 25.00 H new ATOM 0 HD12 LEU A 65 4.511 -6.346 -33.041 1.00 25.00 H new ATOM 0 HD13 LEU A 65 3.542 -6.348 -31.548 1.00 25.00 H new ATOM 0 HD21 LEU A 65 1.245 -4.696 -32.666 1.00 25.00 H new ATOM 0 HD22 LEU A 65 1.995 -4.399 -31.080 1.00 25.00 H new ATOM 0 HD23 LEU A 65 1.880 -3.081 -32.270 1.00 25.00 H new ATOM 1029 N VAL A 66 5.801 -2.116 -34.050 1.00 25.00 N ATOM 1030 CA VAL A 66 6.248 -0.912 -34.769 1.00 25.00 C ATOM 1031 C VAL A 66 7.591 -1.210 -35.454 1.00 25.00 C ATOM 1032 O VAL A 66 8.621 -0.593 -35.192 1.00 25.00 O ATOM 1033 CB VAL A 66 6.313 0.355 -33.839 1.00 25.00 C ATOM 1034 CG1 VAL A 66 6.410 1.640 -34.695 1.00 25.00 C ATOM 1035 CG2 VAL A 66 5.057 0.438 -32.953 1.00 25.00 C ATOM 0 H VAL A 66 4.890 -2.456 -34.359 1.00 25.00 H new ATOM 0 HA VAL A 66 5.511 -0.663 -35.533 1.00 25.00 H new ATOM 0 HB VAL A 66 7.196 0.267 -33.206 1.00 25.00 H new ATOM 0 HG11 VAL A 66 6.454 2.511 -34.041 1.00 25.00 H new ATOM 0 HG12 VAL A 66 7.310 1.601 -35.309 1.00 25.00 H new ATOM 0 HG13 VAL A 66 5.534 1.715 -35.339 1.00 25.00 H new ATOM 0 HG21 VAL A 66 5.119 1.320 -32.316 1.00 25.00 H new ATOM 0 HG22 VAL A 66 4.171 0.507 -33.584 1.00 25.00 H new ATOM 0 HG23 VAL A 66 4.991 -0.455 -32.331 1.00 25.00 H new ATOM 1045 N GLY A 67 7.554 -2.197 -36.332 1.00 25.00 N ATOM 1046 CA GLY A 67 8.724 -2.617 -37.073 1.00 25.00 C ATOM 1047 C GLY A 67 8.274 -3.343 -38.317 1.00 25.00 C ATOM 1048 O GLY A 67 7.067 -3.467 -38.543 1.00 25.00 O ATOM 0 H GLY A 67 6.711 -2.728 -36.549 1.00 25.00 H new ATOM 0 HA2 GLY A 67 9.333 -1.753 -37.339 1.00 25.00 H new ATOM 0 HA3 GLY A 67 9.346 -3.269 -36.459 1.00 25.00 H new ATOM 1052 N MET A 68 9.202 -3.842 -39.123 1.00 25.00 N ATOM 1053 CA MET A 68 8.835 -4.551 -40.341 1.00 25.00 C ATOM 1054 C MET A 68 8.141 -5.863 -39.982 1.00 25.00 C ATOM 1055 O MET A 68 8.630 -6.641 -39.148 1.00 25.00 O ATOM 1056 CB MET A 68 10.075 -4.841 -41.185 1.00 25.00 C ATOM 1057 CG MET A 68 10.774 -3.579 -41.689 1.00 25.00 C ATOM 1058 SD MET A 68 12.164 -3.968 -42.780 1.00 25.00 S ATOM 1059 CE MET A 68 13.448 -4.494 -41.614 1.00 25.00 C ATOM 0 H MET A 68 10.206 -3.770 -38.957 1.00 25.00 H new ATOM 0 HA MET A 68 8.156 -3.924 -40.919 1.00 25.00 H new ATOM 0 HB2 MET A 68 10.779 -5.426 -40.594 1.00 25.00 H new ATOM 0 HB3 MET A 68 9.789 -5.455 -42.039 1.00 25.00 H new ATOM 0 HG2 MET A 68 10.057 -2.955 -42.223 1.00 25.00 H new ATOM 0 HG3 MET A 68 11.131 -2.998 -40.839 1.00 25.00 H new ATOM 0 HE1 MET A 68 14.352 -4.759 -42.163 1.00 25.00 H new ATOM 0 HE2 MET A 68 13.669 -3.680 -40.924 1.00 25.00 H new ATOM 0 HE3 MET A 68 13.097 -5.360 -41.053 1.00 25.00 H new ATOM 1069 N TYR A 69 6.990 -6.107 -40.602 1.00 25.00 N ATOM 1070 CA TYR A 69 6.183 -7.292 -40.301 1.00 25.00 C ATOM 1071 C TYR A 69 6.165 -8.333 -41.415 1.00 25.00 C ATOM 1072 O TYR A 69 5.786 -9.473 -41.171 1.00 25.00 O ATOM 1073 CB TYR A 69 4.738 -6.888 -40.050 1.00 25.00 C ATOM 1074 CG TYR A 69 4.531 -5.859 -38.969 1.00 25.00 C ATOM 1075 CD1 TYR A 69 3.926 -4.622 -39.270 1.00 25.00 C ATOM 1076 CD2 TYR A 69 4.900 -6.121 -37.634 1.00 25.00 C ATOM 1077 CE1 TYR A 69 3.694 -3.663 -38.255 1.00 25.00 C ATOM 1078 CE2 TYR A 69 4.674 -5.158 -36.617 1.00 25.00 C ATOM 1079 CZ TYR A 69 4.068 -3.943 -36.946 1.00 25.00 C ATOM 1080 OH TYR A 69 3.822 -3.008 -35.976 1.00 25.00 O ATOM 0 H TYR A 69 6.592 -5.500 -41.318 1.00 25.00 H new ATOM 0 HA TYR A 69 6.651 -7.738 -39.423 1.00 25.00 H new ATOM 0 HB2 TYR A 69 4.320 -6.502 -40.980 1.00 25.00 H new ATOM 0 HB3 TYR A 69 4.169 -7.781 -39.791 1.00 25.00 H new ATOM 0 HD1 TYR A 69 3.636 -4.403 -40.287 1.00 25.00 H new ATOM 0 HD2 TYR A 69 5.360 -7.065 -37.383 1.00 25.00 H new ATOM 0 HE1 TYR A 69 3.229 -2.719 -38.496 1.00 25.00 H new ATOM 0 HE2 TYR A 69 4.968 -5.362 -35.598 1.00 25.00 H new ATOM 0 HH TYR A 69 2.935 -3.163 -35.590 1.00 25.00 H new ATOM 1090 N ASP A 70 6.529 -7.910 -42.619 1.00 25.00 N ATOM 1091 CA ASP A 70 6.532 -8.764 -43.828 1.00 25.00 C ATOM 1092 C ASP A 70 5.219 -9.540 -44.041 1.00 25.00 C ATOM 1093 O ASP A 70 5.209 -10.757 -44.242 1.00 25.00 O ATOM 1094 CB ASP A 70 7.725 -9.727 -43.802 1.00 25.00 C ATOM 1095 CG ASP A 70 8.023 -10.307 -45.176 1.00 25.00 C ATOM 1096 OD1 ASP A 70 7.591 -9.698 -46.181 1.00 25.00 O ATOM 1097 OD2 ASP A 70 8.735 -11.326 -45.254 1.00 25.00 O ATOM 0 H ASP A 70 6.836 -6.954 -42.799 1.00 25.00 H new ATOM 0 HA ASP A 70 6.626 -8.087 -44.677 1.00 25.00 H new ATOM 0 HB2 ASP A 70 8.606 -9.202 -43.432 1.00 25.00 H new ATOM 0 HB3 ASP A 70 7.520 -10.538 -43.103 1.00 25.00 H new ATOM 1102 N LYS A 71 4.103 -8.832 -43.954 1.00 25.00 N ATOM 1103 CA LYS A 71 2.778 -9.441 -44.120 1.00 25.00 C ATOM 1104 C LYS A 71 1.779 -8.371 -44.515 1.00 25.00 C ATOM 1105 O LYS A 71 2.063 -7.178 -44.386 1.00 25.00 O ATOM 1106 CB LYS A 71 2.326 -10.091 -42.802 1.00 25.00 C ATOM 1107 CG LYS A 71 2.086 -9.089 -41.690 1.00 25.00 C ATOM 1108 CD LYS A 71 1.695 -9.772 -40.402 1.00 25.00 C ATOM 1109 CE LYS A 71 1.269 -8.734 -39.371 1.00 25.00 C ATOM 1110 NZ LYS A 71 0.829 -9.385 -38.093 1.00 25.00 N ATOM 0 H LYS A 71 4.082 -7.829 -43.769 1.00 25.00 H new ATOM 0 HA LYS A 71 2.833 -10.204 -44.896 1.00 25.00 H new ATOM 0 HB2 LYS A 71 1.409 -10.654 -42.978 1.00 25.00 H new ATOM 0 HB3 LYS A 71 3.083 -10.807 -42.480 1.00 25.00 H new ATOM 0 HG2 LYS A 71 2.988 -8.499 -41.530 1.00 25.00 H new ATOM 0 HG3 LYS A 71 1.300 -8.395 -41.988 1.00 25.00 H new ATOM 0 HD2 LYS A 71 0.879 -10.471 -40.585 1.00 25.00 H new ATOM 0 HD3 LYS A 71 2.534 -10.354 -40.020 1.00 25.00 H new ATOM 0 HE2 LYS A 71 2.099 -8.056 -39.170 1.00 25.00 H new ATOM 0 HE3 LYS A 71 0.455 -8.131 -39.774 1.00 25.00 H new ATOM 0 HZ1 LYS A 71 0.545 -8.653 -37.411 1.00 25.00 H new ATOM 0 HZ2 LYS A 71 0.022 -10.013 -38.283 1.00 25.00 H new ATOM 0 HZ3 LYS A 71 1.614 -9.941 -37.698 1.00 25.00 H new ATOM 1124 N LYS A 72 0.598 -8.783 -44.940 1.00 25.00 N ATOM 1125 CA LYS A 72 -0.496 -7.846 -45.223 1.00 25.00 C ATOM 1126 C LYS A 72 -1.185 -7.509 -43.900 1.00 25.00 C ATOM 1127 O LYS A 72 -1.121 -8.310 -42.952 1.00 25.00 O ATOM 1128 CB LYS A 72 -1.513 -8.505 -46.171 1.00 25.00 C ATOM 1129 CG LYS A 72 -0.954 -8.882 -47.556 1.00 25.00 C ATOM 1130 CD LYS A 72 -0.536 -7.650 -48.379 1.00 25.00 C ATOM 1131 CE LYS A 72 -0.118 -8.063 -49.791 1.00 25.00 C ATOM 1132 NZ LYS A 72 0.311 -6.882 -50.619 1.00 25.00 N ATOM 0 H LYS A 72 0.363 -9.763 -45.100 1.00 25.00 H new ATOM 0 HA LYS A 72 -0.106 -6.944 -45.694 1.00 25.00 H new ATOM 0 HB2 LYS A 72 -1.903 -9.405 -45.695 1.00 25.00 H new ATOM 0 HB3 LYS A 72 -2.355 -7.826 -46.307 1.00 25.00 H new ATOM 0 HG2 LYS A 72 -0.094 -9.540 -47.430 1.00 25.00 H new ATOM 0 HG3 LYS A 72 -1.707 -9.445 -48.107 1.00 25.00 H new ATOM 0 HD2 LYS A 72 -1.364 -6.943 -48.431 1.00 25.00 H new ATOM 0 HD3 LYS A 72 0.290 -7.138 -47.884 1.00 25.00 H new ATOM 0 HE2 LYS A 72 0.700 -8.781 -49.732 1.00 25.00 H new ATOM 0 HE3 LYS A 72 -0.950 -8.568 -50.283 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 0.586 -7.205 -51.568 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 -0.477 -6.208 -50.698 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 1.121 -6.415 -50.164 1.00 25.00 H new ATOM 1146 N PRO A 73 -1.863 -6.350 -43.808 1.00 25.00 N ATOM 1147 CA PRO A 73 -2.637 -6.132 -42.578 1.00 25.00 C ATOM 1148 C PRO A 73 -3.810 -7.111 -42.514 1.00 25.00 C ATOM 1149 O PRO A 73 -4.250 -7.612 -43.548 1.00 25.00 O ATOM 1150 CB PRO A 73 -3.115 -4.687 -42.725 1.00 25.00 C ATOM 1151 CG PRO A 73 -3.232 -4.490 -44.190 1.00 25.00 C ATOM 1152 CD PRO A 73 -2.057 -5.240 -44.765 1.00 25.00 C ATOM 0 HA PRO A 73 -2.069 -6.293 -41.662 1.00 25.00 H new ATOM 0 HB2 PRO A 73 -4.071 -4.531 -42.225 1.00 25.00 H new ATOM 0 HB3 PRO A 73 -2.406 -3.986 -42.284 1.00 25.00 H new ATOM 0 HG2 PRO A 73 -4.176 -4.880 -44.569 1.00 25.00 H new ATOM 0 HG3 PRO A 73 -3.196 -3.433 -44.453 1.00 25.00 H new ATOM 0 HD2 PRO A 73 -2.266 -5.607 -45.770 1.00 25.00 H new ATOM 0 HD3 PRO A 73 -1.171 -4.609 -44.834 1.00 25.00 H new ATOM 1160 N ALA A 74 -4.298 -7.394 -41.312 1.00 25.00 N ATOM 1161 CA ALA A 74 -5.383 -8.360 -41.122 1.00 25.00 C ATOM 1162 C ALA A 74 -6.196 -8.030 -39.865 1.00 25.00 C ATOM 1163 O ALA A 74 -6.249 -8.815 -38.924 1.00 25.00 O ATOM 1164 CB ALA A 74 -4.797 -9.785 -41.033 1.00 25.00 C ATOM 0 H ALA A 74 -3.960 -6.968 -40.449 1.00 25.00 H new ATOM 0 HA ALA A 74 -6.057 -8.304 -41.977 1.00 25.00 H new ATOM 0 HB1 ALA A 74 -5.605 -10.503 -40.892 1.00 25.00 H new ATOM 0 HB2 ALA A 74 -4.263 -10.017 -41.954 1.00 25.00 H new ATOM 0 HB3 ALA A 74 -4.109 -9.843 -40.190 1.00 25.00 H new ATOM 1170 N GLY A 75 -6.780 -6.840 -39.840 1.00 25.00 N ATOM 1171 CA GLY A 75 -7.596 -6.422 -38.714 1.00 25.00 C ATOM 1172 C GLY A 75 -8.086 -5.015 -38.966 1.00 25.00 C ATOM 1173 O GLY A 75 -7.527 -4.313 -39.813 1.00 25.00 O ATOM 0 H GLY A 75 -6.703 -6.149 -40.587 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -8.441 -7.099 -38.588 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -7.016 -6.461 -37.792 1.00 25.00 H new ATOM 1177 N GLU A 76 -9.120 -4.615 -38.253 1.00 25.00 N ATOM 1178 CA GLU A 76 -9.741 -3.299 -38.428 1.00 25.00 C ATOM 1179 C GLU A 76 -8.905 -2.232 -37.721 1.00 25.00 C ATOM 1180 O GLU A 76 -9.136 -1.917 -36.564 1.00 25.00 O ATOM 1181 CB GLU A 76 -11.168 -3.325 -37.858 1.00 25.00 C ATOM 1182 CG GLU A 76 -12.125 -4.262 -38.616 1.00 25.00 C ATOM 1183 CD GLU A 76 -11.728 -5.736 -38.513 1.00 25.00 C ATOM 1184 OE1 GLU A 76 -11.629 -6.399 -39.567 1.00 25.00 O ATOM 1185 OE2 GLU A 76 -11.370 -6.188 -37.398 1.00 25.00 O ATOM 0 H GLU A 76 -9.561 -5.187 -37.533 1.00 25.00 H new ATOM 0 HA GLU A 76 -9.788 -3.057 -39.490 1.00 25.00 H new ATOM 0 HB2 GLU A 76 -11.126 -3.633 -36.813 1.00 25.00 H new ATOM 0 HB3 GLU A 76 -11.575 -2.314 -37.877 1.00 25.00 H new ATOM 0 HG2 GLU A 76 -13.134 -4.135 -38.224 1.00 25.00 H new ATOM 0 HG3 GLU A 76 -12.152 -3.972 -39.666 1.00 25.00 H new ATOM 1192 N PHE A 77 -7.880 -1.750 -38.416 1.00 25.00 N ATOM 1193 CA PHE A 77 -6.919 -0.764 -37.882 1.00 25.00 C ATOM 1194 C PHE A 77 -6.268 -1.178 -36.559 1.00 25.00 C ATOM 1195 O PHE A 77 -5.736 -0.352 -35.823 1.00 25.00 O ATOM 1196 CB PHE A 77 -7.566 0.624 -37.777 1.00 25.00 C ATOM 1197 CG PHE A 77 -6.663 1.737 -38.245 1.00 25.00 C ATOM 1198 CD1 PHE A 77 -6.600 2.076 -39.608 1.00 25.00 C ATOM 1199 CD2 PHE A 77 -5.865 2.445 -37.330 1.00 25.00 C ATOM 1200 CE1 PHE A 77 -5.738 3.105 -40.064 1.00 25.00 C ATOM 1201 CE2 PHE A 77 -5.000 3.480 -37.772 1.00 25.00 C ATOM 1202 CZ PHE A 77 -4.934 3.803 -39.140 1.00 25.00 C ATOM 0 H PHE A 77 -7.682 -2.029 -39.377 1.00 25.00 H new ATOM 0 HA PHE A 77 -6.102 -0.721 -38.602 1.00 25.00 H new ATOM 0 HB2 PHE A 77 -8.483 0.636 -38.367 1.00 25.00 H new ATOM 0 HB3 PHE A 77 -7.851 0.807 -36.741 1.00 25.00 H new ATOM 0 HD1 PHE A 77 -7.217 1.545 -40.318 1.00 25.00 H new ATOM 0 HD2 PHE A 77 -5.910 2.199 -36.279 1.00 25.00 H new ATOM 0 HE1 PHE A 77 -5.697 3.353 -41.114 1.00 25.00 H new ATOM 0 HE2 PHE A 77 -4.393 4.019 -37.059 1.00 25.00 H new ATOM 0 HZ PHE A 77 -4.270 4.583 -39.481 1.00 25.00 H new ATOM 1212 N ILE A 78 -6.255 -2.486 -36.309 1.00 25.00 N ATOM 1213 CA ILE A 78 -5.621 -3.096 -35.128 1.00 25.00 C ATOM 1214 C ILE A 78 -6.174 -2.510 -33.806 1.00 25.00 C ATOM 1215 O ILE A 78 -5.429 -2.215 -32.868 1.00 25.00 O ATOM 1216 CB ILE A 78 -4.036 -3.022 -35.183 1.00 25.00 C ATOM 1217 CG1 ILE A 78 -3.499 -3.275 -36.616 1.00 25.00 C ATOM 1218 CG2 ILE A 78 -3.388 -4.105 -34.267 1.00 25.00 C ATOM 1219 CD1 ILE A 78 -2.904 -2.020 -37.293 1.00 25.00 C ATOM 0 H ILE A 78 -6.691 -3.169 -36.929 1.00 25.00 H new ATOM 0 HA ILE A 78 -5.886 -4.153 -35.150 1.00 25.00 H new ATOM 0 HB ILE A 78 -3.773 -2.019 -34.848 1.00 25.00 H new ATOM 0 HG12 ILE A 78 -2.734 -4.051 -36.575 1.00 25.00 H new ATOM 0 HG13 ILE A 78 -4.310 -3.659 -37.235 1.00 25.00 H new ATOM 0 HG21 ILE A 78 -2.302 -4.029 -34.326 1.00 25.00 H new ATOM 0 HG22 ILE A 78 -3.707 -3.948 -33.237 1.00 25.00 H new ATOM 0 HG23 ILE A 78 -3.701 -5.095 -34.597 1.00 25.00 H new ATOM 0 HD11 ILE A 78 -2.550 -2.278 -38.291 1.00 25.00 H new ATOM 0 HD12 ILE A 78 -3.671 -1.249 -37.368 1.00 25.00 H new ATOM 0 HD13 ILE A 78 -2.071 -1.646 -36.698 1.00 25.00 H new ATOM 1231 N VAL A 79 -7.493 -2.398 -33.724 1.00 25.00 N ATOM 1232 CA VAL A 79 -8.152 -2.026 -32.470 1.00 25.00 C ATOM 1233 C VAL A 79 -8.218 -3.267 -31.587 1.00 25.00 C ATOM 1234 O VAL A 79 -7.939 -4.379 -32.043 1.00 25.00 O ATOM 1235 CB VAL A 79 -9.595 -1.476 -32.711 1.00 25.00 C ATOM 1236 CG1 VAL A 79 -9.539 -0.186 -33.534 1.00 25.00 C ATOM 1237 CG2 VAL A 79 -10.483 -2.519 -33.413 1.00 25.00 C ATOM 0 H VAL A 79 -8.129 -2.558 -34.505 1.00 25.00 H new ATOM 0 HA VAL A 79 -7.579 -1.232 -31.992 1.00 25.00 H new ATOM 0 HB VAL A 79 -10.038 -1.259 -31.739 1.00 25.00 H new ATOM 0 HG11 VAL A 79 -10.550 0.187 -33.695 1.00 25.00 H new ATOM 0 HG12 VAL A 79 -8.957 0.563 -32.997 1.00 25.00 H new ATOM 0 HG13 VAL A 79 -9.069 -0.389 -34.497 1.00 25.00 H new ATOM 0 HG21 VAL A 79 -11.480 -2.105 -33.566 1.00 25.00 H new ATOM 0 HG22 VAL A 79 -10.046 -2.779 -34.377 1.00 25.00 H new ATOM 0 HG23 VAL A 79 -10.553 -3.413 -32.794 1.00 25.00 H new ATOM 1247 N THR A 80 -8.598 -3.093 -30.327 1.00 25.00 N ATOM 1248 CA THR A 80 -8.771 -4.226 -29.417 1.00 25.00 C ATOM 1249 C THR A 80 -9.980 -3.973 -28.530 1.00 25.00 C ATOM 1250 O THR A 80 -10.269 -2.837 -28.152 1.00 25.00 O ATOM 1251 CB THR A 80 -7.498 -4.479 -28.548 1.00 25.00 C ATOM 1252 OG1 THR A 80 -7.749 -5.555 -27.642 1.00 25.00 O ATOM 1253 CG2 THR A 80 -7.093 -3.243 -27.735 1.00 25.00 C ATOM 0 H THR A 80 -8.792 -2.183 -29.910 1.00 25.00 H new ATOM 0 HA THR A 80 -8.930 -5.124 -30.014 1.00 25.00 H new ATOM 0 HB THR A 80 -6.683 -4.720 -29.230 1.00 25.00 H new ATOM 0 HG1 THR A 80 -6.951 -5.716 -27.097 1.00 25.00 H new ATOM 0 HG21 THR A 80 -6.203 -3.469 -27.148 1.00 25.00 H new ATOM 0 HG22 THR A 80 -6.880 -2.416 -28.412 1.00 25.00 H new ATOM 0 HG23 THR A 80 -7.908 -2.964 -27.067 1.00 25.00 H new ATOM 1261 N ASP A 81 -10.706 -5.046 -28.215 1.00 25.00 N ATOM 1262 CA ASP A 81 -11.917 -4.994 -27.379 1.00 25.00 C ATOM 1263 C ASP A 81 -11.604 -4.997 -25.873 1.00 25.00 C ATOM 1264 O ASP A 81 -12.366 -4.590 -25.026 1.00 25.00 O ATOM 1265 CB ASP A 81 -12.854 -6.162 -27.719 1.00 25.00 C ATOM 1266 CG ASP A 81 -13.277 -6.077 -29.154 1.00 25.00 C ATOM 1267 OD1 ASP A 81 -12.772 -6.838 -29.944 1.00 25.00 O ATOM 1268 OD2 ASP A 81 -14.100 -5.242 -29.470 1.00 25.00 O ATOM 1269 OXT ASP A 81 -10.445 -5.515 -25.578 1.00 25.00 O ATOM 0 H ASP A 81 -10.472 -5.986 -28.533 1.00 25.00 H new ATOM 0 HA ASP A 81 -12.410 -4.048 -27.604 1.00 25.00 H new ATOM 0 HB2 ASP A 81 -12.348 -7.110 -27.536 1.00 25.00 H new ATOM 0 HB3 ASP A 81 -13.730 -6.137 -27.071 1.00 25.00 H new TER 1275 ASP A 81