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+ -176:sc= -0.117 (180deg=-0.145) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0246 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= -0.0594 X(o=-0.059,f=-0.021) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.906 K(o=0.91,f=-4.8!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0629 USER MOD Single : A 25 SER OG : rot 24:sc= 0.485 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= -0.205 (180deg=-0.205) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 85:sc= 1.28 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 48 CYS SG : rot -160:sc= -0.506 USER MOD Single : A 49 SER OG : rot 31:sc= 0.178 USER MOD Single : A 51 HIS : no HE2:sc= 0.0956 K(o=0.096,f=-1) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 60 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.16) USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0293) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -136:sc= 0.735 (180deg=-0.662) USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0373) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.137 14.593 -19.600 1.00 25.00 N ATOM 2 CA GLY A 1 9.762 14.856 -18.267 1.00 25.00 C ATOM 3 C GLY A 1 10.446 13.671 -17.579 1.00 25.00 C ATOM 4 O GLY A 1 11.064 12.820 -18.182 1.00 25.00 O ATOM 0 H1 GLY A 1 8.768 15.483 -19.992 1.00 25.00 H new ATOM 0 H2 GLY A 1 9.850 14.199 -20.246 1.00 25.00 H new ATOM 0 H3 GLY A 1 8.357 13.914 -19.490 1.00 25.00 H new ATOM 0 HA2 GLY A 1 10.499 15.650 -18.388 1.00 25.00 H new ATOM 0 HA3 GLY A 1 8.990 15.237 -17.599 1.00 25.00 H new ATOM 9 N SER A 2 10.336 13.628 -16.247 1.00 25.00 N ATOM 10 CA SER A 2 10.941 12.567 -15.446 1.00 25.00 C ATOM 11 C SER A 2 10.026 11.336 -15.344 1.00 25.00 C ATOM 12 O SER A 2 8.831 11.399 -15.647 1.00 25.00 O ATOM 13 CB SER A 2 11.221 13.124 -14.052 1.00 25.00 C ATOM 14 OG SER A 2 10.095 13.846 -13.590 1.00 25.00 O ATOM 0 H SER A 2 9.828 14.324 -15.700 1.00 25.00 H new ATOM 0 HA SER A 2 11.864 12.243 -15.927 1.00 25.00 H new ATOM 0 HB2 SER A 2 11.450 12.310 -13.364 1.00 25.00 H new ATOM 0 HB3 SER A 2 12.096 13.774 -14.079 1.00 25.00 H new ATOM 0 HG SER A 2 10.278 14.200 -12.695 1.00 25.00 H new ATOM 20 N MET A 3 10.617 10.226 -14.904 1.00 25.00 N ATOM 21 CA MET A 3 9.908 8.968 -14.594 1.00 25.00 C ATOM 22 C MET A 3 8.948 8.459 -15.682 1.00 25.00 C ATOM 23 O MET A 3 7.802 8.090 -15.418 1.00 25.00 O ATOM 24 CB MET A 3 9.192 9.121 -13.247 1.00 25.00 C ATOM 25 CG MET A 3 9.226 7.855 -12.398 1.00 25.00 C ATOM 26 SD MET A 3 10.942 7.415 -11.947 1.00 25.00 S ATOM 27 CE MET A 3 10.707 5.831 -11.130 1.00 25.00 C ATOM 0 H MET A 3 11.623 10.167 -14.747 1.00 25.00 H new ATOM 0 HA MET A 3 10.672 8.192 -14.545 1.00 25.00 H new ATOM 0 HB2 MET A 3 9.653 9.936 -12.689 1.00 25.00 H new ATOM 0 HB3 MET A 3 8.154 9.403 -13.425 1.00 25.00 H new ATOM 0 HG2 MET A 3 8.635 8.003 -11.494 1.00 25.00 H new ATOM 0 HG3 MET A 3 8.768 7.032 -12.947 1.00 25.00 H new ATOM 0 HE1 MET A 3 11.672 5.444 -10.802 1.00 25.00 H new ATOM 0 HE2 MET A 3 10.055 5.960 -10.266 1.00 25.00 H new ATOM 0 HE3 MET A 3 10.251 5.127 -11.826 1.00 25.00 H new ATOM 37 N LYS A 4 9.438 8.408 -16.914 1.00 25.00 N ATOM 38 CA LYS A 4 8.647 7.902 -18.041 1.00 25.00 C ATOM 39 C LYS A 4 8.880 6.406 -18.239 1.00 25.00 C ATOM 40 O LYS A 4 9.994 5.936 -18.085 1.00 25.00 O ATOM 41 CB LYS A 4 9.043 8.647 -19.314 1.00 25.00 C ATOM 42 CG LYS A 4 8.631 10.110 -19.303 1.00 25.00 C ATOM 43 CD LYS A 4 9.522 10.967 -20.183 1.00 25.00 C ATOM 44 CE LYS A 4 9.358 10.668 -21.661 1.00 25.00 C ATOM 45 NZ LYS A 4 10.284 11.571 -22.418 1.00 25.00 N ATOM 0 H LYS A 4 10.380 8.710 -17.164 1.00 25.00 H new ATOM 0 HA LYS A 4 7.591 8.065 -17.825 1.00 25.00 H new ATOM 0 HB2 LYS A 4 10.123 8.581 -19.445 1.00 25.00 H new ATOM 0 HB3 LYS A 4 8.587 8.154 -20.173 1.00 25.00 H new ATOM 0 HG2 LYS A 4 7.599 10.197 -19.642 1.00 25.00 H new ATOM 0 HG3 LYS A 4 8.664 10.487 -18.281 1.00 25.00 H new ATOM 0 HD2 LYS A 4 9.298 12.018 -20.003 1.00 25.00 H new ATOM 0 HD3 LYS A 4 10.563 10.810 -19.899 1.00 25.00 H new ATOM 0 HE2 LYS A 4 9.590 9.623 -21.867 1.00 25.00 H new ATOM 0 HE3 LYS A 4 8.326 10.832 -21.972 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 10.192 11.387 -23.437 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 10.039 12.563 -22.222 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 11.264 11.391 -22.121 1.00 25.00 H new ATOM 59 N TYR A 5 7.840 5.688 -18.639 1.00 25.00 N ATOM 60 CA TYR A 5 7.960 4.261 -18.965 1.00 25.00 C ATOM 61 C TYR A 5 8.360 4.102 -20.432 1.00 25.00 C ATOM 62 O TYR A 5 8.257 5.040 -21.217 1.00 25.00 O ATOM 63 CB TYR A 5 6.633 3.532 -18.710 1.00 25.00 C ATOM 64 CG TYR A 5 6.509 3.017 -17.291 1.00 25.00 C ATOM 65 CD1 TYR A 5 5.925 3.802 -16.278 1.00 25.00 C ATOM 66 CD2 TYR A 5 6.997 1.737 -16.953 1.00 25.00 C ATOM 67 CE1 TYR A 5 5.830 3.314 -14.949 1.00 25.00 C ATOM 68 CE2 TYR A 5 6.907 1.248 -15.630 1.00 25.00 C ATOM 69 CZ TYR A 5 6.323 2.039 -14.640 1.00 25.00 C ATOM 70 OH TYR A 5 6.234 1.549 -13.366 1.00 25.00 O ATOM 0 H TYR A 5 6.899 6.065 -18.748 1.00 25.00 H new ATOM 0 HA TYR A 5 8.726 3.822 -18.326 1.00 25.00 H new ATOM 0 HB2 TYR A 5 5.805 4.210 -18.919 1.00 25.00 H new ATOM 0 HB3 TYR A 5 6.544 2.696 -19.404 1.00 25.00 H new ATOM 0 HD1 TYR A 5 5.546 4.785 -16.515 1.00 25.00 H new ATOM 0 HD2 TYR A 5 7.447 1.121 -17.718 1.00 25.00 H new ATOM 0 HE1 TYR A 5 5.380 3.923 -14.179 1.00 25.00 H new ATOM 0 HE2 TYR A 5 7.288 0.267 -15.387 1.00 25.00 H new ATOM 0 HH TYR A 5 6.624 0.651 -13.333 1.00 25.00 H new ATOM 80 N LEU A 6 8.790 2.897 -20.798 1.00 25.00 N ATOM 81 CA LEU A 6 9.207 2.601 -22.174 1.00 25.00 C ATOM 82 C LEU A 6 8.065 2.755 -23.173 1.00 25.00 C ATOM 83 O LEU A 6 8.257 3.277 -24.266 1.00 25.00 O ATOM 84 CB LEU A 6 9.732 1.162 -22.255 1.00 25.00 C ATOM 85 CG LEU A 6 10.949 0.807 -21.387 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.215 -0.696 -21.479 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.196 1.575 -21.811 1.00 25.00 C ATOM 0 H LEU A 6 8.860 2.104 -20.161 1.00 25.00 H new ATOM 0 HA LEU A 6 9.986 3.318 -22.433 1.00 25.00 H new ATOM 0 HB2 LEU A 6 8.917 0.490 -21.985 1.00 25.00 H new ATOM 0 HB3 LEU A 6 9.986 0.954 -23.294 1.00 25.00 H new ATOM 0 HG LEU A 6 10.722 1.089 -20.359 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.078 -0.951 -20.864 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.342 -1.243 -21.123 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.415 -0.967 -22.516 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.032 1.293 -21.171 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.436 1.336 -22.847 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.013 2.646 -21.719 1.00 25.00 H new ATOM 99 N ASN A 7 6.885 2.284 -22.784 1.00 25.00 N ATOM 100 CA ASN A 7 5.671 2.345 -23.617 1.00 25.00 C ATOM 101 C ASN A 7 5.858 1.703 -25.006 1.00 25.00 C ATOM 102 O ASN A 7 5.342 2.195 -26.004 1.00 25.00 O ATOM 103 CB ASN A 7 5.182 3.797 -23.757 1.00 25.00 C ATOM 104 CG ASN A 7 3.705 3.882 -24.059 1.00 25.00 C ATOM 105 OD1 ASN A 7 2.876 3.716 -23.175 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.368 4.180 -25.286 1.00 25.00 N ATOM 0 H ASN A 7 6.734 1.844 -21.876 1.00 25.00 H new ATOM 0 HA ASN A 7 4.912 1.757 -23.101 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.393 4.339 -22.835 1.00 25.00 H new ATOM 0 HB3 ASN A 7 5.741 4.291 -24.552 1.00 25.00 H new ATOM 0 HD21 ASN A 7 2.384 4.282 -25.534 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.089 4.311 -25.995 1.00 25.00 H new ATOM 113 N VAL A 8 6.570 0.588 -25.053 1.00 25.00 N ATOM 114 CA VAL A 8 6.725 -0.172 -26.283 1.00 25.00 C ATOM 115 C VAL A 8 6.001 -1.478 -26.010 1.00 25.00 C ATOM 116 O VAL A 8 5.829 -1.857 -24.855 1.00 25.00 O ATOM 117 CB VAL A 8 8.216 -0.420 -26.644 1.00 25.00 C ATOM 118 CG1 VAL A 8 8.906 0.911 -26.987 1.00 25.00 C ATOM 119 CG2 VAL A 8 8.973 -1.138 -25.517 1.00 25.00 C ATOM 0 H VAL A 8 7.052 0.188 -24.248 1.00 25.00 H new ATOM 0 HA VAL A 8 6.319 0.365 -27.140 1.00 25.00 H new ATOM 0 HB VAL A 8 8.237 -1.074 -27.516 1.00 25.00 H new ATOM 0 HG11 VAL A 8 9.950 0.725 -27.238 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.404 1.372 -27.838 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.853 1.580 -26.128 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.011 -1.290 -25.815 1.00 25.00 H new ATOM 0 HG22 VAL A 8 8.940 -0.531 -24.612 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.506 -2.104 -25.323 1.00 25.00 H new ATOM 129 N LEU A 9 5.536 -2.150 -27.047 1.00 25.00 N ATOM 130 CA LEU A 9 4.785 -3.381 -26.864 1.00 25.00 C ATOM 131 C LEU A 9 5.531 -4.457 -27.577 1.00 25.00 C ATOM 132 O LEU A 9 6.457 -4.175 -28.334 1.00 25.00 O ATOM 133 CB LEU A 9 3.365 -3.301 -27.446 1.00 25.00 C ATOM 134 CG LEU A 9 2.770 -1.952 -27.827 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.473 -2.201 -28.585 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.471 -1.052 -26.620 1.00 25.00 C ATOM 0 H LEU A 9 5.663 -1.868 -28.019 1.00 25.00 H new ATOM 0 HA LEU A 9 4.684 -3.574 -25.796 1.00 25.00 H new ATOM 0 HB2 LEU A 9 3.345 -3.927 -28.338 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.692 -3.758 -26.721 1.00 25.00 H new ATOM 0 HG LEU A 9 3.509 -1.430 -28.434 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.028 -1.247 -28.868 1.00 25.00 H new ATOM 0 HD12 LEU A 9 1.682 -2.785 -29.482 1.00 25.00 H new ATOM 0 HD13 LEU A 9 0.779 -2.750 -27.948 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.049 -0.108 -26.966 1.00 25.00 H new ATOM 0 HD22 LEU A 9 1.757 -1.549 -25.963 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.394 -0.859 -26.073 1.00 25.00 H new ATOM 148 N ALA A 10 5.098 -5.686 -27.395 1.00 25.00 N ATOM 149 CA ALA A 10 5.648 -6.778 -28.140 1.00 25.00 C ATOM 150 C ALA A 10 4.585 -7.837 -28.414 1.00 25.00 C ATOM 151 O ALA A 10 3.706 -8.075 -27.588 1.00 25.00 O ATOM 152 CB ALA A 10 6.821 -7.375 -27.367 1.00 25.00 C ATOM 0 H ALA A 10 4.365 -5.946 -26.735 1.00 25.00 H new ATOM 0 HA ALA A 10 6.003 -6.411 -29.103 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.243 -8.207 -27.931 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.585 -6.612 -27.219 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.474 -7.733 -26.398 1.00 25.00 H new ATOM 158 N LYS A 11 4.676 -8.461 -29.581 1.00 25.00 N ATOM 159 CA LYS A 11 3.735 -9.506 -29.982 1.00 25.00 C ATOM 160 C LYS A 11 4.324 -10.856 -29.641 1.00 25.00 C ATOM 161 O LYS A 11 5.507 -11.097 -29.890 1.00 25.00 O ATOM 162 CB LYS A 11 3.477 -9.415 -31.491 1.00 25.00 C ATOM 163 CG LYS A 11 2.403 -10.372 -32.006 1.00 25.00 C ATOM 164 CD LYS A 11 1.954 -10.023 -33.423 1.00 25.00 C ATOM 165 CE LYS A 11 0.753 -10.879 -33.810 1.00 25.00 C ATOM 166 NZ LYS A 11 0.171 -10.533 -35.149 1.00 25.00 N ATOM 0 H LYS A 11 5.397 -8.261 -30.274 1.00 25.00 H new ATOM 0 HA LYS A 11 2.791 -9.376 -29.453 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.185 -8.394 -31.736 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.409 -9.616 -32.019 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.788 -11.391 -31.989 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.543 -10.345 -31.337 1.00 25.00 H new ATOM 0 HD2 LYS A 11 1.693 -8.966 -33.482 1.00 25.00 H new ATOM 0 HD3 LYS A 11 2.772 -10.189 -34.125 1.00 25.00 H new ATOM 0 HE2 LYS A 11 1.051 -11.927 -33.814 1.00 25.00 H new ATOM 0 HE3 LYS A 11 -0.020 -10.770 -33.049 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 -0.640 -11.154 -35.346 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 -0.144 -9.542 -35.145 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 0.893 -10.663 -35.886 1.00 25.00 H new ATOM 180 N ALA A 12 3.514 -11.733 -29.075 1.00 25.00 N ATOM 181 CA ALA A 12 3.954 -13.071 -28.720 1.00 25.00 C ATOM 182 C ALA A 12 4.093 -13.911 -29.987 1.00 25.00 C ATOM 183 O ALA A 12 3.187 -13.970 -30.827 1.00 25.00 O ATOM 184 CB ALA A 12 2.962 -13.709 -27.757 1.00 25.00 C ATOM 0 H ALA A 12 2.538 -11.540 -28.849 1.00 25.00 H new ATOM 0 HA ALA A 12 4.923 -13.017 -28.224 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.301 -14.712 -27.497 1.00 25.00 H new ATOM 0 HB2 ALA A 12 2.892 -13.104 -26.853 1.00 25.00 H new ATOM 0 HB3 ALA A 12 1.982 -13.769 -28.231 1.00 25.00 H new ATOM 190 N LEU A 13 5.231 -14.567 -30.119 1.00 25.00 N ATOM 191 CA LEU A 13 5.521 -15.423 -31.264 1.00 25.00 C ATOM 192 C LEU A 13 5.160 -16.861 -30.926 1.00 25.00 C ATOM 193 O LEU A 13 4.796 -17.653 -31.797 1.00 25.00 O ATOM 194 CB LEU A 13 7.015 -15.348 -31.590 1.00 25.00 C ATOM 195 CG LEU A 13 7.542 -13.950 -31.962 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.053 -14.003 -32.096 1.00 25.00 C ATOM 197 CD2 LEU A 13 6.908 -13.451 -33.271 1.00 25.00 C ATOM 0 H LEU A 13 5.986 -14.524 -29.434 1.00 25.00 H new ATOM 0 HA LEU A 13 4.938 -15.088 -32.122 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.576 -15.711 -30.729 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.224 -16.028 -32.416 1.00 25.00 H new ATOM 0 HG LEU A 13 7.269 -13.250 -31.172 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.430 -13.015 -32.359 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.491 -14.318 -31.149 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.324 -14.714 -32.876 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.298 -12.462 -33.510 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.150 -14.141 -34.079 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.826 -13.396 -33.153 1.00 25.00 H new ATOM 209 N TYR A 14 5.238 -17.171 -29.639 1.00 25.00 N ATOM 210 CA TYR A 14 4.936 -18.497 -29.125 1.00 25.00 C ATOM 211 C TYR A 14 3.966 -18.325 -27.969 1.00 25.00 C ATOM 212 O TYR A 14 3.855 -17.235 -27.425 1.00 25.00 O ATOM 213 CB TYR A 14 6.207 -19.187 -28.630 1.00 25.00 C ATOM 214 CG TYR A 14 7.319 -19.210 -29.660 1.00 25.00 C ATOM 215 CD1 TYR A 14 7.391 -20.230 -30.630 1.00 25.00 C ATOM 216 CD2 TYR A 14 8.302 -18.202 -29.673 1.00 25.00 C ATOM 217 CE1 TYR A 14 8.432 -20.236 -31.602 1.00 25.00 C ATOM 218 CE2 TYR A 14 9.346 -18.209 -30.620 1.00 25.00 C ATOM 219 CZ TYR A 14 9.402 -19.223 -31.585 1.00 25.00 C ATOM 220 OH TYR A 14 10.411 -19.231 -32.513 1.00 25.00 O ATOM 0 H TYR A 14 5.515 -16.504 -28.919 1.00 25.00 H new ATOM 0 HA TYR A 14 4.505 -19.115 -29.913 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.562 -18.678 -27.734 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.967 -20.211 -28.342 1.00 25.00 H new ATOM 0 HD1 TYR A 14 6.649 -21.015 -30.636 1.00 25.00 H new ATOM 0 HD2 TYR A 14 8.255 -17.408 -28.943 1.00 25.00 H new ATOM 0 HE1 TYR A 14 8.474 -21.016 -32.348 1.00 25.00 H new ATOM 0 HE2 TYR A 14 10.100 -17.436 -30.602 1.00 25.00 H new ATOM 0 HH TYR A 14 10.998 -18.461 -32.364 1.00 25.00 H new ATOM 230 N ASP A 15 3.267 -19.386 -27.622 1.00 25.00 N ATOM 231 CA ASP A 15 2.290 -19.390 -26.537 1.00 25.00 C ATOM 232 C ASP A 15 2.889 -20.040 -25.295 1.00 25.00 C ATOM 233 O ASP A 15 3.857 -20.793 -25.391 1.00 25.00 O ATOM 234 CB ASP A 15 1.028 -20.152 -26.974 1.00 25.00 C ATOM 235 CG ASP A 15 1.337 -21.524 -27.563 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.944 -21.576 -28.666 1.00 25.00 O ATOM 237 OD2 ASP A 15 0.865 -22.531 -27.008 1.00 25.00 O ATOM 0 H ASP A 15 3.359 -20.288 -28.090 1.00 25.00 H new ATOM 0 HA ASP A 15 2.020 -18.361 -26.299 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.366 -20.271 -26.116 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.489 -19.558 -27.712 1.00 25.00 H new ATOM 242 N ASN A 16 2.302 -19.756 -24.140 1.00 25.00 N ATOM 243 CA ASN A 16 2.704 -20.372 -22.888 1.00 25.00 C ATOM 244 C ASN A 16 1.493 -20.573 -21.974 1.00 25.00 C ATOM 245 O ASN A 16 0.368 -20.203 -22.319 1.00 25.00 O ATOM 246 CB ASN A 16 3.762 -19.505 -22.173 1.00 25.00 C ATOM 247 CG ASN A 16 3.158 -18.395 -21.325 1.00 25.00 C ATOM 248 OD1 ASN A 16 2.208 -17.750 -21.715 1.00 25.00 O ATOM 249 ND2 ASN A 16 3.714 -18.177 -20.167 1.00 25.00 N ATOM 0 H ASN A 16 1.534 -19.091 -24.047 1.00 25.00 H new ATOM 0 HA ASN A 16 3.140 -21.345 -23.114 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.377 -20.144 -21.539 1.00 25.00 H new ATOM 0 HB3 ASN A 16 4.424 -19.064 -22.918 1.00 25.00 H new ATOM 0 HD21 ASN A 16 3.351 -17.445 -19.557 1.00 25.00 H new ATOM 0 HD22 ASN A 16 4.512 -18.739 -19.871 1.00 25.00 H new ATOM 256 N VAL A 17 1.748 -21.091 -20.785 1.00 25.00 N ATOM 257 CA VAL A 17 0.769 -21.147 -19.722 1.00 25.00 C ATOM 258 C VAL A 17 1.604 -20.677 -18.545 1.00 25.00 C ATOM 259 O VAL A 17 2.819 -20.876 -18.554 1.00 25.00 O ATOM 260 CB VAL A 17 0.181 -22.593 -19.535 1.00 25.00 C ATOM 261 CG1 VAL A 17 1.273 -23.602 -19.153 1.00 25.00 C ATOM 262 CG2 VAL A 17 -0.942 -22.602 -18.481 1.00 25.00 C ATOM 0 H VAL A 17 2.652 -21.488 -20.531 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.126 -20.548 -19.889 1.00 25.00 H new ATOM 0 HB VAL A 17 -0.239 -22.895 -20.494 1.00 25.00 H new ATOM 0 HG11 VAL A 17 0.829 -24.590 -19.032 1.00 25.00 H new ATOM 0 HG12 VAL A 17 2.027 -23.637 -19.939 1.00 25.00 H new ATOM 0 HG13 VAL A 17 1.739 -23.297 -18.216 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -1.331 -23.615 -18.372 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -0.546 -22.260 -17.525 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -1.745 -21.938 -18.799 1.00 25.00 H new ATOM 272 N ALA A 18 0.995 -19.991 -17.586 1.00 25.00 N ATOM 273 CA ALA A 18 1.736 -19.477 -16.434 1.00 25.00 C ATOM 274 C ALA A 18 1.448 -20.385 -15.243 1.00 25.00 C ATOM 275 O ALA A 18 0.311 -20.806 -15.051 1.00 25.00 O ATOM 276 CB ALA A 18 1.300 -18.040 -16.132 1.00 25.00 C ATOM 0 H ALA A 18 -0.002 -19.777 -17.579 1.00 25.00 H new ATOM 0 HA ALA A 18 2.806 -19.468 -16.642 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.856 -17.664 -15.273 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.500 -17.409 -16.998 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.233 -18.023 -15.909 1.00 25.00 H new ATOM 282 N GLU A 19 2.467 -20.672 -14.450 1.00 25.00 N ATOM 283 CA GLU A 19 2.314 -21.546 -13.284 1.00 25.00 C ATOM 284 C GLU A 19 2.182 -20.712 -12.010 1.00 25.00 C ATOM 285 O GLU A 19 1.794 -21.213 -10.958 1.00 25.00 O ATOM 286 CB GLU A 19 3.523 -22.481 -13.164 1.00 25.00 C ATOM 287 CG GLU A 19 3.697 -23.406 -14.370 1.00 25.00 C ATOM 288 CD GLU A 19 4.813 -24.435 -14.171 1.00 25.00 C ATOM 289 OE1 GLU A 19 4.980 -25.293 -15.065 1.00 25.00 O ATOM 290 OE2 GLU A 19 5.500 -24.405 -13.120 1.00 25.00 O ATOM 0 H GLU A 19 3.413 -20.315 -14.587 1.00 25.00 H new ATOM 0 HA GLU A 19 1.411 -22.142 -13.414 1.00 25.00 H new ATOM 0 HB2 GLU A 19 4.425 -21.882 -13.041 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.417 -23.086 -12.264 1.00 25.00 H new ATOM 0 HG2 GLU A 19 2.759 -23.927 -14.561 1.00 25.00 H new ATOM 0 HG3 GLU A 19 3.915 -22.806 -15.254 1.00 25.00 H new ATOM 297 N SER A 20 2.496 -19.428 -12.119 1.00 25.00 N ATOM 298 CA SER A 20 2.458 -18.512 -10.985 1.00 25.00 C ATOM 299 C SER A 20 1.648 -17.278 -11.345 1.00 25.00 C ATOM 300 O SER A 20 1.633 -16.868 -12.499 1.00 25.00 O ATOM 301 CB SER A 20 3.887 -18.085 -10.643 1.00 25.00 C ATOM 302 OG SER A 20 3.898 -17.109 -9.621 1.00 25.00 O ATOM 0 H SER A 20 2.784 -18.992 -12.995 1.00 25.00 H new ATOM 0 HA SER A 20 1.998 -19.011 -10.132 1.00 25.00 H new ATOM 0 HB2 SER A 20 4.463 -18.954 -10.326 1.00 25.00 H new ATOM 0 HB3 SER A 20 4.374 -17.688 -11.534 1.00 25.00 H new ATOM 0 HG SER A 20 4.823 -16.855 -9.421 1.00 25.00 H new ATOM 308 N PRO A 21 1.000 -16.622 -10.359 1.00 25.00 N ATOM 309 CA PRO A 21 0.319 -15.367 -10.724 1.00 25.00 C ATOM 310 C PRO A 21 1.280 -14.219 -11.058 1.00 25.00 C ATOM 311 O PRO A 21 0.873 -13.220 -11.647 1.00 25.00 O ATOM 312 CB PRO A 21 -0.480 -15.042 -9.463 1.00 25.00 C ATOM 313 CG PRO A 21 0.322 -15.609 -8.363 1.00 25.00 C ATOM 314 CD PRO A 21 0.824 -16.919 -8.922 1.00 25.00 C ATOM 0 HA PRO A 21 -0.279 -15.483 -11.628 1.00 25.00 H new ATOM 0 HB2 PRO A 21 -0.614 -13.967 -9.344 1.00 25.00 H new ATOM 0 HB3 PRO A 21 -1.475 -15.485 -9.498 1.00 25.00 H new ATOM 0 HG2 PRO A 21 1.145 -14.950 -8.087 1.00 25.00 H new ATOM 0 HG3 PRO A 21 -0.279 -15.761 -7.466 1.00 25.00 H new ATOM 0 HD2 PRO A 21 1.761 -17.224 -8.455 1.00 25.00 H new ATOM 0 HD3 PRO A 21 0.110 -17.726 -8.761 1.00 25.00 H new ATOM 322 N ASP A 22 2.547 -14.377 -10.689 1.00 25.00 N ATOM 323 CA ASP A 22 3.582 -13.365 -10.941 1.00 25.00 C ATOM 324 C ASP A 22 4.121 -13.500 -12.370 1.00 25.00 C ATOM 325 O ASP A 22 4.900 -12.674 -12.849 1.00 25.00 O ATOM 326 CB ASP A 22 4.723 -13.554 -9.948 1.00 25.00 C ATOM 327 CG ASP A 22 4.277 -13.394 -8.504 1.00 25.00 C ATOM 328 OD1 ASP A 22 3.756 -12.318 -8.148 1.00 25.00 O ATOM 329 OD2 ASP A 22 4.416 -14.367 -7.724 1.00 25.00 O ATOM 0 H ASP A 22 2.891 -15.207 -10.207 1.00 25.00 H new ATOM 0 HA ASP A 22 3.146 -12.373 -10.821 1.00 25.00 H new ATOM 0 HB2 ASP A 22 5.156 -14.545 -10.083 1.00 25.00 H new ATOM 0 HB3 ASP A 22 5.510 -12.831 -10.163 1.00 25.00 H new ATOM 334 N GLU A 23 3.702 -14.558 -13.045 1.00 25.00 N ATOM 335 CA GLU A 23 4.075 -14.843 -14.416 1.00 25.00 C ATOM 336 C GLU A 23 2.853 -14.553 -15.292 1.00 25.00 C ATOM 337 O GLU A 23 1.719 -14.776 -14.866 1.00 25.00 O ATOM 338 CB GLU A 23 4.452 -16.322 -14.504 1.00 25.00 C ATOM 339 CG GLU A 23 4.979 -16.725 -15.845 1.00 25.00 C ATOM 340 CD GLU A 23 5.268 -18.221 -15.936 1.00 25.00 C ATOM 341 OE1 GLU A 23 5.972 -18.626 -16.891 1.00 25.00 O ATOM 342 OE2 GLU A 23 4.763 -18.993 -15.073 1.00 25.00 O ATOM 0 H GLU A 23 3.078 -15.258 -12.643 1.00 25.00 H new ATOM 0 HA GLU A 23 4.919 -14.237 -14.746 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.203 -16.543 -13.746 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.576 -16.927 -14.270 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.256 -16.451 -16.613 1.00 25.00 H new ATOM 0 HG3 GLU A 23 5.893 -16.169 -16.055 1.00 25.00 H new ATOM 349 N LEU A 24 3.059 -14.035 -16.490 1.00 25.00 N ATOM 350 CA LEU A 24 1.940 -13.750 -17.375 1.00 25.00 C ATOM 351 C LEU A 24 1.636 -14.922 -18.303 1.00 25.00 C ATOM 352 O LEU A 24 2.527 -15.492 -18.928 1.00 25.00 O ATOM 353 CB LEU A 24 2.222 -12.507 -18.209 1.00 25.00 C ATOM 354 CG LEU A 24 1.508 -11.238 -17.731 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.999 -10.055 -18.542 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.023 -11.356 -17.847 1.00 25.00 C ATOM 0 H LEU A 24 3.977 -13.805 -16.870 1.00 25.00 H new ATOM 0 HA LEU A 24 1.069 -13.579 -16.743 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.296 -12.324 -18.211 1.00 25.00 H new ATOM 0 HB3 LEU A 24 1.930 -12.705 -19.241 1.00 25.00 H new ATOM 0 HG LEU A 24 1.742 -11.096 -16.676 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.494 -9.149 -18.206 1.00 25.00 H new ATOM 0 HD12 LEU A 24 3.075 -9.942 -18.407 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.781 -10.222 -19.597 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.487 -10.434 -17.497 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.297 -11.528 -18.888 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.371 -12.191 -17.238 1.00 25.00 H new ATOM 368 N SER A 25 0.354 -15.235 -18.419 1.00 25.00 N ATOM 369 CA SER A 25 -0.114 -16.229 -19.376 1.00 25.00 C ATOM 370 C SER A 25 -0.494 -15.477 -20.646 1.00 25.00 C ATOM 371 O SER A 25 -1.323 -14.562 -20.617 1.00 25.00 O ATOM 372 CB SER A 25 -1.335 -16.968 -18.834 1.00 25.00 C ATOM 373 OG SER A 25 -2.358 -16.056 -18.493 1.00 25.00 O ATOM 0 H SER A 25 -0.386 -14.812 -17.859 1.00 25.00 H new ATOM 0 HA SER A 25 0.664 -16.968 -19.567 1.00 25.00 H new ATOM 0 HB2 SER A 25 -1.702 -17.672 -19.581 1.00 25.00 H new ATOM 0 HB3 SER A 25 -1.054 -17.552 -17.957 1.00 25.00 H new ATOM 0 HG SER A 25 -2.244 -15.230 -19.007 1.00 25.00 H new ATOM 379 N PHE A 26 0.123 -15.845 -21.753 1.00 25.00 N ATOM 380 CA PHE A 26 -0.104 -15.186 -23.030 1.00 25.00 C ATOM 381 C PHE A 26 -0.109 -16.264 -24.103 1.00 25.00 C ATOM 382 O PHE A 26 0.354 -17.382 -23.878 1.00 25.00 O ATOM 383 CB PHE A 26 1.015 -14.173 -23.305 1.00 25.00 C ATOM 384 CG PHE A 26 2.390 -14.769 -23.244 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.955 -15.392 -24.374 1.00 25.00 C ATOM 386 CD2 PHE A 26 3.131 -14.719 -22.054 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.244 -15.976 -24.313 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.413 -15.305 -21.974 1.00 25.00 C ATOM 389 CZ PHE A 26 4.973 -15.938 -23.104 1.00 25.00 C ATOM 0 H PHE A 26 0.797 -16.610 -21.795 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.052 -14.647 -23.023 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.862 -13.733 -24.290 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.947 -13.362 -22.580 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.398 -15.425 -25.299 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.715 -14.226 -21.188 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.667 -16.448 -25.187 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.966 -15.269 -21.047 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.952 -16.390 -23.045 1.00 25.00 H new ATOM 399 N ARG A 27 -0.600 -15.937 -25.285 1.00 25.00 N ATOM 400 CA ARG A 27 -0.616 -16.901 -26.369 1.00 25.00 C ATOM 401 C ARG A 27 -0.077 -16.247 -27.607 1.00 25.00 C ATOM 402 O ARG A 27 -0.114 -15.037 -27.743 1.00 25.00 O ATOM 403 CB ARG A 27 -2.028 -17.451 -26.582 1.00 25.00 C ATOM 404 CG ARG A 27 -2.535 -18.195 -25.346 1.00 25.00 C ATOM 405 CD ARG A 27 -3.872 -18.855 -25.564 1.00 25.00 C ATOM 406 NE ARG A 27 -4.323 -19.503 -24.323 1.00 25.00 N ATOM 407 CZ ARG A 27 -5.481 -20.132 -24.158 1.00 25.00 C ATOM 408 NH1 ARG A 27 -6.368 -20.235 -25.117 1.00 25.00 N ATOM 409 NH2 ARG A 27 -5.755 -20.655 -22.994 1.00 25.00 N ATOM 0 H ARG A 27 -0.988 -15.023 -25.517 1.00 25.00 H new ATOM 0 HA ARG A 27 0.018 -17.752 -26.120 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.707 -16.631 -26.818 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.031 -18.124 -27.439 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -1.805 -18.952 -25.059 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -2.613 -17.495 -24.514 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.605 -18.114 -25.884 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -3.796 -19.593 -26.362 1.00 25.00 H new ATOM 0 HE ARG A 27 -3.693 -19.466 -23.521 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -6.181 -19.823 -26.031 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -7.246 -20.727 -24.949 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -5.085 -20.577 -22.229 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -6.640 -21.142 -22.849 1.00 25.00 H new ATOM 423 N LYS A 28 0.461 -17.051 -28.508 1.00 25.00 N ATOM 424 CA LYS A 28 1.029 -16.516 -29.751 1.00 25.00 C ATOM 425 C LYS A 28 -0.022 -15.710 -30.487 1.00 25.00 C ATOM 426 O LYS A 28 -1.187 -16.090 -30.555 1.00 25.00 O ATOM 427 CB LYS A 28 1.593 -17.634 -30.647 1.00 25.00 C ATOM 428 CG LYS A 28 0.575 -18.634 -31.188 1.00 25.00 C ATOM 429 CD LYS A 28 1.294 -19.675 -32.027 1.00 25.00 C ATOM 430 CE LYS A 28 0.306 -20.606 -32.716 1.00 25.00 C ATOM 431 NZ LYS A 28 1.032 -21.557 -33.639 1.00 25.00 N ATOM 0 H LYS A 28 0.520 -18.065 -28.412 1.00 25.00 H new ATOM 0 HA LYS A 28 1.863 -15.864 -29.493 1.00 25.00 H new ATOM 0 HB2 LYS A 28 2.104 -17.172 -31.492 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.346 -18.182 -30.080 1.00 25.00 H new ATOM 0 HG2 LYS A 28 0.047 -19.115 -30.365 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.174 -18.119 -31.790 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.912 -19.179 -32.775 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.964 -20.256 -31.394 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -0.253 -21.170 -31.969 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -0.419 -20.022 -33.283 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 0.344 -22.185 -34.101 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 1.546 -21.014 -34.362 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 1.707 -22.127 -33.090 1.00 25.00 H new ATOM 445 N GLY A 29 0.395 -14.569 -31.006 1.00 25.00 N ATOM 446 CA GLY A 29 -0.512 -13.668 -31.688 1.00 25.00 C ATOM 447 C GLY A 29 -0.982 -12.520 -30.804 1.00 25.00 C ATOM 448 O GLY A 29 -1.391 -11.485 -31.323 1.00 25.00 O ATOM 0 H GLY A 29 1.361 -14.245 -30.967 1.00 25.00 H new ATOM 0 HA2 GLY A 29 -0.018 -13.262 -32.570 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.379 -14.229 -32.038 1.00 25.00 H new ATOM 452 N ASP A 30 -0.901 -12.692 -29.495 1.00 25.00 N ATOM 453 CA ASP A 30 -1.318 -11.661 -28.541 1.00 25.00 C ATOM 454 C ASP A 30 -0.242 -10.572 -28.437 1.00 25.00 C ATOM 455 O ASP A 30 0.904 -10.804 -28.819 1.00 25.00 O ATOM 456 CB ASP A 30 -1.540 -12.309 -27.170 1.00 25.00 C ATOM 457 CG ASP A 30 -2.527 -11.548 -26.311 1.00 25.00 C ATOM 458 OD1 ASP A 30 -2.922 -12.095 -25.265 1.00 25.00 O ATOM 459 OD2 ASP A 30 -2.931 -10.433 -26.694 1.00 25.00 O ATOM 0 H ASP A 30 -0.547 -13.543 -29.059 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.245 -11.202 -28.884 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.899 -13.329 -27.310 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.586 -12.375 -26.647 1.00 25.00 H new ATOM 464 N ILE A 31 -0.601 -9.394 -27.943 1.00 25.00 N ATOM 465 CA ILE A 31 0.328 -8.259 -27.821 1.00 25.00 C ATOM 466 C ILE A 31 0.236 -7.690 -26.407 1.00 25.00 C ATOM 467 O ILE A 31 -0.849 -7.447 -25.902 1.00 25.00 O ATOM 468 CB ILE A 31 -0.004 -7.127 -28.864 1.00 25.00 C ATOM 469 CG1 ILE A 31 0.268 -7.605 -30.298 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.882 -5.870 -28.631 1.00 25.00 C ATOM 471 CD1 ILE A 31 -0.937 -8.143 -31.040 1.00 25.00 C ATOM 0 H ILE A 31 -1.544 -9.190 -27.613 1.00 25.00 H new ATOM 0 HA ILE A 31 1.337 -8.617 -28.023 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.058 -6.883 -28.730 1.00 25.00 H new ATOM 0 HG12 ILE A 31 0.684 -6.774 -30.868 1.00 25.00 H new ATOM 0 HG13 ILE A 31 1.031 -8.383 -30.266 1.00 25.00 H new ATOM 0 HG21 ILE A 31 0.630 -5.106 -29.366 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.705 -5.481 -27.628 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.933 -6.141 -28.735 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.639 -8.453 -32.041 1.00 25.00 H new ATOM 0 HD12 ILE A 31 -1.344 -8.999 -30.501 1.00 25.00 H new ATOM 0 HD13 ILE A 31 -1.697 -7.365 -31.113 1.00 25.00 H new ATOM 483 N MET A 32 1.389 -7.467 -25.789 1.00 25.00 N ATOM 484 CA MET A 32 1.467 -6.953 -24.419 1.00 25.00 C ATOM 485 C MET A 32 2.445 -5.795 -24.337 1.00 25.00 C ATOM 486 O MET A 32 3.394 -5.723 -25.125 1.00 25.00 O ATOM 487 CB MET A 32 1.918 -8.081 -23.489 1.00 25.00 C ATOM 488 CG MET A 32 3.269 -8.687 -23.880 1.00 25.00 C ATOM 489 SD MET A 32 3.297 -10.443 -23.556 1.00 25.00 S ATOM 490 CE MET A 32 2.352 -11.042 -24.975 1.00 25.00 C ATOM 0 H MET A 32 2.298 -7.636 -26.219 1.00 25.00 H new ATOM 0 HA MET A 32 0.484 -6.592 -24.116 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.981 -7.699 -22.470 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.162 -8.866 -23.489 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.461 -8.505 -24.937 1.00 25.00 H new ATOM 0 HG3 MET A 32 4.067 -8.197 -23.322 1.00 25.00 H new ATOM 0 HE1 MET A 32 2.274 -12.128 -24.928 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.354 -10.605 -24.958 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.858 -10.754 -25.897 1.00 25.00 H new ATOM 500 N THR A 33 2.218 -4.879 -23.405 1.00 25.00 N ATOM 501 CA THR A 33 3.095 -3.711 -23.242 1.00 25.00 C ATOM 502 C THR A 33 4.285 -4.075 -22.358 1.00 25.00 C ATOM 503 O THR A 33 4.097 -4.625 -21.285 1.00 25.00 O ATOM 504 CB THR A 33 2.336 -2.550 -22.571 1.00 25.00 C ATOM 505 OG1 THR A 33 1.137 -2.295 -23.304 1.00 25.00 O ATOM 506 CG2 THR A 33 3.169 -1.262 -22.560 1.00 25.00 C ATOM 0 H THR A 33 1.438 -4.915 -22.749 1.00 25.00 H new ATOM 0 HA THR A 33 3.434 -3.405 -24.232 1.00 25.00 H new ATOM 0 HB THR A 33 2.122 -2.839 -21.542 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.647 -1.558 -22.883 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.601 -0.466 -22.079 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.094 -1.432 -22.009 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.404 -0.972 -23.584 1.00 25.00 H new ATOM 514 N VAL A 34 5.495 -3.756 -22.799 1.00 25.00 N ATOM 515 CA VAL A 34 6.706 -4.004 -22.014 1.00 25.00 C ATOM 516 C VAL A 34 6.965 -2.766 -21.164 1.00 25.00 C ATOM 517 O VAL A 34 7.040 -1.642 -21.678 1.00 25.00 O ATOM 518 CB VAL A 34 7.933 -4.292 -22.936 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.219 -4.462 -22.104 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.690 -5.567 -23.775 1.00 25.00 C ATOM 0 H VAL A 34 5.669 -3.320 -23.705 1.00 25.00 H new ATOM 0 HA VAL A 34 6.564 -4.884 -21.386 1.00 25.00 H new ATOM 0 HB VAL A 34 8.056 -3.439 -23.603 1.00 25.00 H new ATOM 0 HG11 VAL A 34 10.059 -4.662 -22.769 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.411 -3.549 -21.541 1.00 25.00 H new ATOM 0 HG13 VAL A 34 9.098 -5.296 -21.413 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.555 -5.754 -24.412 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.539 -6.417 -23.110 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.804 -5.431 -24.396 1.00 25.00 H new ATOM 530 N LEU A 35 7.065 -2.965 -19.857 1.00 25.00 N ATOM 531 CA LEU A 35 7.259 -1.863 -18.914 1.00 25.00 C ATOM 532 C LEU A 35 8.736 -1.650 -18.627 1.00 25.00 C ATOM 533 O LEU A 35 9.211 -0.516 -18.614 1.00 25.00 O ATOM 534 CB LEU A 35 6.507 -2.161 -17.613 1.00 25.00 C ATOM 535 CG LEU A 35 4.982 -2.342 -17.751 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.393 -2.754 -16.405 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.304 -1.068 -18.251 1.00 25.00 C ATOM 0 H LEU A 35 7.015 -3.885 -19.419 1.00 25.00 H new ATOM 0 HA LEU A 35 6.865 -0.950 -19.359 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.924 -3.067 -17.173 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.696 -1.349 -16.911 1.00 25.00 H new ATOM 0 HG LEU A 35 4.800 -3.123 -18.489 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.315 -2.882 -16.503 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.842 -3.694 -16.084 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.601 -1.981 -15.665 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.230 -1.236 -18.335 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.490 -0.257 -17.547 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.707 -0.801 -19.228 1.00 25.00 H new ATOM 549 N GLU A 36 9.454 -2.749 -18.432 1.00 25.00 N ATOM 550 CA GLU A 36 10.894 -2.733 -18.166 1.00 25.00 C ATOM 551 C GLU A 36 11.450 -4.096 -18.581 1.00 25.00 C ATOM 552 O GLU A 36 10.675 -5.002 -18.924 1.00 25.00 O ATOM 553 CB GLU A 36 11.179 -2.469 -16.679 1.00 25.00 C ATOM 554 CG GLU A 36 10.622 -3.526 -15.742 1.00 25.00 C ATOM 555 CD GLU A 36 10.991 -3.266 -14.290 1.00 25.00 C ATOM 556 OE1 GLU A 36 11.429 -2.151 -13.969 1.00 25.00 O ATOM 557 OE2 GLU A 36 10.811 -4.198 -13.481 1.00 25.00 O ATOM 0 H GLU A 36 9.053 -3.687 -18.453 1.00 25.00 H new ATOM 0 HA GLU A 36 11.371 -1.932 -18.731 1.00 25.00 H new ATOM 0 HB2 GLU A 36 12.257 -2.402 -16.533 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.760 -1.500 -16.406 1.00 25.00 H new ATOM 0 HG2 GLU A 36 9.537 -3.557 -15.838 1.00 25.00 H new ATOM 0 HG3 GLU A 36 10.997 -4.505 -16.040 1.00 25.00 H new ATOM 564 N ARG A 37 12.766 -4.243 -18.581 1.00 25.00 N ATOM 565 CA ARG A 37 13.414 -5.485 -19.017 1.00 25.00 C ATOM 566 C ARG A 37 14.374 -5.967 -17.944 1.00 25.00 C ATOM 567 O ARG A 37 14.869 -5.163 -17.169 1.00 25.00 O ATOM 568 CB ARG A 37 14.211 -5.258 -20.307 1.00 25.00 C ATOM 569 CG ARG A 37 13.391 -4.657 -21.443 1.00 25.00 C ATOM 570 CD ARG A 37 14.118 -4.798 -22.775 1.00 25.00 C ATOM 571 NE ARG A 37 15.531 -4.369 -22.691 1.00 25.00 N ATOM 572 CZ ARG A 37 16.358 -4.252 -23.722 1.00 25.00 C ATOM 573 NH1 ARG A 37 15.973 -4.479 -24.951 1.00 25.00 N ATOM 574 NH2 ARG A 37 17.589 -3.894 -23.509 1.00 25.00 N ATOM 0 H ARG A 37 13.416 -3.516 -18.283 1.00 25.00 H new ATOM 0 HA ARG A 37 12.636 -6.227 -19.195 1.00 25.00 H new ATOM 0 HB2 ARG A 37 15.052 -4.599 -20.091 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.628 -6.210 -20.637 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.422 -5.153 -21.499 1.00 25.00 H new ATOM 0 HG3 ARG A 37 13.198 -3.604 -21.239 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.075 -5.837 -23.102 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.605 -4.204 -23.531 1.00 25.00 H new ATOM 0 HE ARG A 37 15.899 -4.145 -21.766 1.00 25.00 H new ATOM 0 HH11 ARG A 37 15.010 -4.756 -25.141 1.00 25.00 H new ATOM 0 HH12 ARG A 37 16.636 -4.379 -25.720 1.00 25.00 H new ATOM 0 HH21 ARG A 37 17.909 -3.707 -22.559 1.00 25.00 H new ATOM 0 HH22 ARG A 37 18.236 -3.800 -24.292 1.00 25.00 H new ATOM 588 N ASP A 38 14.621 -7.271 -17.943 1.00 25.00 N ATOM 589 CA ASP A 38 15.530 -7.949 -17.009 1.00 25.00 C ATOM 590 C ASP A 38 15.050 -7.700 -15.585 1.00 25.00 C ATOM 591 O ASP A 38 15.820 -7.474 -14.649 1.00 25.00 O ATOM 592 CB ASP A 38 16.974 -7.518 -17.280 1.00 25.00 C ATOM 593 CG ASP A 38 17.330 -7.626 -18.770 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.985 -6.698 -19.290 1.00 25.00 O ATOM 595 OD2 ASP A 38 16.837 -8.569 -19.445 1.00 25.00 O ATOM 0 H ASP A 38 14.185 -7.910 -18.608 1.00 25.00 H new ATOM 0 HA ASP A 38 15.519 -9.029 -17.155 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.116 -6.490 -16.946 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.654 -8.139 -16.698 1.00 25.00 H new ATOM 600 N THR A 39 13.732 -7.732 -15.471 1.00 25.00 N ATOM 601 CA THR A 39 12.998 -7.285 -14.279 1.00 25.00 C ATOM 602 C THR A 39 13.241 -8.116 -13.025 1.00 25.00 C ATOM 603 O THR A 39 13.051 -7.655 -11.900 1.00 25.00 O ATOM 604 CB THR A 39 11.463 -7.309 -14.604 1.00 25.00 C ATOM 605 OG1 THR A 39 10.703 -6.917 -13.462 1.00 25.00 O ATOM 606 CG2 THR A 39 10.991 -8.709 -15.025 1.00 25.00 C ATOM 0 H THR A 39 13.123 -8.075 -16.214 1.00 25.00 H new ATOM 0 HA THR A 39 13.367 -6.285 -14.053 1.00 25.00 H new ATOM 0 HB THR A 39 11.308 -6.612 -15.427 1.00 25.00 H new ATOM 0 HG1 THR A 39 10.640 -5.940 -13.431 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.923 -8.683 -15.241 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.534 -9.023 -15.916 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.180 -9.415 -14.217 1.00 25.00 H new ATOM 614 N GLN A 40 13.713 -9.341 -13.204 1.00 25.00 N ATOM 615 CA GLN A 40 13.959 -10.234 -12.073 1.00 25.00 C ATOM 616 C GLN A 40 15.452 -10.529 -11.947 1.00 25.00 C ATOM 617 O GLN A 40 15.855 -11.468 -11.277 1.00 25.00 O ATOM 618 CB GLN A 40 13.147 -11.518 -12.256 1.00 25.00 C ATOM 619 CG GLN A 40 12.594 -12.062 -10.958 1.00 25.00 C ATOM 620 CD GLN A 40 11.674 -13.251 -11.172 1.00 25.00 C ATOM 621 OE1 GLN A 40 12.081 -14.273 -11.703 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.440 -13.120 -10.750 1.00 25.00 N ATOM 0 H GLN A 40 13.934 -9.741 -14.116 1.00 25.00 H new ATOM 0 HA GLN A 40 13.641 -9.753 -11.148 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.322 -11.324 -12.942 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.777 -12.276 -12.721 1.00 25.00 H new ATOM 0 HG2 GLN A 40 13.419 -12.357 -10.310 1.00 25.00 H new ATOM 0 HG3 GLN A 40 12.049 -11.273 -10.440 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.141 -12.249 -10.312 1.00 25.00 H new ATOM 0 HE22 GLN A 40 9.779 -13.889 -10.860 1.00 25.00 H new ATOM 631 N GLY A 41 16.267 -9.756 -12.659 1.00 25.00 N ATOM 632 CA GLY A 41 17.705 -10.003 -12.706 1.00 25.00 C ATOM 633 C GLY A 41 18.029 -11.078 -13.729 1.00 25.00 C ATOM 634 O GLY A 41 19.182 -11.410 -13.978 1.00 25.00 O ATOM 0 H GLY A 41 15.957 -8.955 -13.210 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.230 -9.082 -12.960 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.059 -10.311 -11.722 1.00 25.00 H new ATOM 638 N LEU A 42 16.975 -11.630 -14.316 1.00 25.00 N ATOM 639 CA LEU A 42 17.099 -12.656 -15.335 1.00 25.00 C ATOM 640 C LEU A 42 17.166 -11.994 -16.699 1.00 25.00 C ATOM 641 O LEU A 42 16.226 -11.310 -17.115 1.00 25.00 O ATOM 642 CB LEU A 42 15.900 -13.619 -15.281 1.00 25.00 C ATOM 643 CG LEU A 42 15.687 -14.411 -13.982 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.397 -15.213 -14.094 1.00 25.00 C ATOM 645 CD2 LEU A 42 16.859 -15.340 -13.680 1.00 25.00 C ATOM 0 H LEU A 42 16.011 -11.377 -14.097 1.00 25.00 H new ATOM 0 HA LEU A 42 18.008 -13.229 -15.156 1.00 25.00 H new ATOM 0 HB2 LEU A 42 14.996 -13.042 -15.476 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.005 -14.333 -16.098 1.00 25.00 H new ATOM 0 HG LEU A 42 15.619 -13.702 -13.157 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.239 -15.778 -13.175 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.559 -14.534 -14.251 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.469 -15.902 -14.936 1.00 25.00 H new ATOM 0 HD21 LEU A 42 16.666 -15.880 -12.753 1.00 25.00 H new ATOM 0 HD22 LEU A 42 16.979 -16.052 -14.497 1.00 25.00 H new ATOM 0 HD23 LEU A 42 17.771 -14.753 -13.574 1.00 25.00 H new ATOM 657 N ASP A 43 18.275 -12.207 -17.382 1.00 25.00 N ATOM 658 CA ASP A 43 18.470 -11.661 -18.720 1.00 25.00 C ATOM 659 C ASP A 43 17.389 -12.205 -19.648 1.00 25.00 C ATOM 660 O ASP A 43 17.123 -13.414 -19.678 1.00 25.00 O ATOM 661 CB ASP A 43 19.867 -12.040 -19.238 1.00 25.00 C ATOM 662 CG ASP A 43 20.252 -11.296 -20.525 1.00 25.00 C ATOM 663 OD1 ASP A 43 21.374 -10.753 -20.579 1.00 25.00 O ATOM 664 OD2 ASP A 43 19.462 -11.293 -21.484 1.00 25.00 O ATOM 0 H ASP A 43 19.061 -12.757 -17.034 1.00 25.00 H new ATOM 0 HA ASP A 43 18.396 -10.574 -18.689 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.606 -11.825 -18.466 1.00 25.00 H new ATOM 0 HB3 ASP A 43 19.901 -13.114 -19.422 1.00 25.00 H new ATOM 669 N GLY A 44 16.746 -11.306 -20.375 1.00 25.00 N ATOM 670 CA GLY A 44 15.758 -11.706 -21.352 1.00 25.00 C ATOM 671 C GLY A 44 14.349 -11.836 -20.819 1.00 25.00 C ATOM 672 O GLY A 44 13.440 -12.125 -21.586 1.00 25.00 O ATOM 0 H GLY A 44 16.893 -10.299 -20.305 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.757 -10.979 -22.165 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.058 -12.662 -21.780 1.00 25.00 H new ATOM 676 N TRP A 45 14.134 -11.616 -19.531 1.00 25.00 N ATOM 677 CA TRP A 45 12.781 -11.662 -18.959 1.00 25.00 C ATOM 678 C TRP A 45 12.280 -10.249 -18.783 1.00 25.00 C ATOM 679 O TRP A 45 12.916 -9.440 -18.121 1.00 25.00 O ATOM 680 CB TRP A 45 12.795 -12.383 -17.625 1.00 25.00 C ATOM 681 CG TRP A 45 12.837 -13.867 -17.803 1.00 25.00 C ATOM 682 CD1 TRP A 45 13.929 -14.643 -18.003 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.717 -14.769 -17.807 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.592 -15.961 -18.117 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.234 -16.082 -18.003 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.323 -14.603 -17.656 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.402 -17.223 -18.047 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.486 -15.745 -17.698 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.039 -17.042 -17.894 1.00 25.00 C ATOM 0 H TRP A 45 14.870 -11.404 -18.858 1.00 25.00 H new ATOM 0 HA TRP A 45 12.119 -12.207 -19.632 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.660 -12.061 -17.045 1.00 25.00 H new ATOM 0 HB3 TRP A 45 11.908 -12.109 -17.053 1.00 25.00 H new ATOM 0 HD1 TRP A 45 14.939 -14.266 -18.065 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.246 -16.730 -18.263 1.00 25.00 H new ATOM 0 HE3 TRP A 45 9.901 -13.620 -17.511 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 11.818 -18.208 -18.196 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.419 -15.631 -17.580 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.383 -17.900 -17.924 1.00 25.00 H new ATOM 700 N TRP A 46 11.158 -9.919 -19.405 1.00 25.00 N ATOM 701 CA TRP A 46 10.657 -8.553 -19.391 1.00 25.00 C ATOM 702 C TRP A 46 9.391 -8.488 -18.565 1.00 25.00 C ATOM 703 O TRP A 46 8.603 -9.437 -18.551 1.00 25.00 O ATOM 704 CB TRP A 46 10.364 -8.099 -20.822 1.00 25.00 C ATOM 705 CG TRP A 46 11.539 -8.215 -21.769 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.855 -8.373 -21.458 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.491 -8.213 -23.212 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.628 -8.471 -22.572 1.00 25.00 N ATOM 709 CE2 TRP A 46 12.829 -8.383 -23.680 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.450 -8.100 -24.160 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.146 -8.449 -25.048 1.00 25.00 C ATOM 712 CZ3 TRP A 46 10.763 -8.173 -25.540 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.116 -8.346 -25.970 1.00 25.00 C ATOM 0 H TRP A 46 10.578 -10.577 -19.925 1.00 25.00 H new ATOM 0 HA TRP A 46 11.408 -7.895 -18.953 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.537 -8.690 -21.215 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.032 -7.061 -20.800 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.238 -8.415 -20.449 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.641 -8.591 -22.581 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.429 -7.960 -23.837 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.168 -8.577 -25.373 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 9.973 -8.097 -26.273 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.338 -8.397 -27.026 1.00 25.00 H new ATOM 724 N LEU A 47 9.179 -7.372 -17.887 1.00 25.00 N ATOM 725 CA LEU A 47 7.943 -7.175 -17.144 1.00 25.00 C ATOM 726 C LEU A 47 6.962 -6.637 -18.153 1.00 25.00 C ATOM 727 O LEU A 47 7.135 -5.523 -18.661 1.00 25.00 O ATOM 728 CB LEU A 47 8.111 -6.157 -16.025 1.00 25.00 C ATOM 729 CG LEU A 47 6.862 -5.887 -15.168 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.493 -7.114 -14.341 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.119 -4.708 -14.247 1.00 25.00 C ATOM 0 H LEU A 47 9.838 -6.595 -17.835 1.00 25.00 H new ATOM 0 HA LEU A 47 7.620 -8.106 -16.679 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.912 -6.497 -15.368 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.437 -5.214 -16.464 1.00 25.00 H new ATOM 0 HG LEU A 47 6.030 -5.658 -15.834 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.607 -6.897 -13.744 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.286 -7.952 -15.006 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.322 -7.370 -13.681 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.233 -4.519 -13.641 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.963 -4.933 -13.595 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.346 -3.824 -14.843 1.00 25.00 H new ATOM 743 N CYS A 48 5.962 -7.427 -18.480 1.00 25.00 N ATOM 744 CA CYS A 48 4.957 -7.010 -19.433 1.00 25.00 C ATOM 745 C CYS A 48 3.641 -6.838 -18.709 1.00 25.00 C ATOM 746 O CYS A 48 3.481 -7.329 -17.605 1.00 25.00 O ATOM 747 CB CYS A 48 4.832 -8.041 -20.546 1.00 25.00 C ATOM 748 SG CYS A 48 6.384 -8.283 -21.423 1.00 25.00 S ATOM 0 H CYS A 48 5.823 -8.363 -18.099 1.00 25.00 H new ATOM 0 HA CYS A 48 5.244 -6.061 -19.886 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.503 -8.991 -20.124 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.064 -7.722 -21.251 1.00 25.00 H new ATOM 0 HG CYS A 48 6.148 -8.819 -22.584 1.00 25.00 H new ATOM 754 N SER A 49 2.691 -6.173 -19.345 1.00 25.00 N ATOM 755 CA SER A 49 1.349 -6.014 -18.796 1.00 25.00 C ATOM 756 C SER A 49 0.328 -6.458 -19.835 1.00 25.00 C ATOM 757 O SER A 49 0.413 -6.072 -21.009 1.00 25.00 O ATOM 758 CB SER A 49 1.093 -4.571 -18.383 1.00 25.00 C ATOM 759 OG SER A 49 -0.210 -4.428 -17.839 1.00 25.00 O ATOM 0 H SER A 49 2.824 -5.729 -20.253 1.00 25.00 H new ATOM 0 HA SER A 49 1.257 -6.634 -17.904 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.835 -4.261 -17.648 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.206 -3.915 -19.246 1.00 25.00 H new ATOM 0 HG SER A 49 -0.470 -5.259 -17.390 1.00 25.00 H new ATOM 765 N LEU A 50 -0.597 -7.303 -19.401 1.00 25.00 N ATOM 766 CA LEU A 50 -1.597 -7.915 -20.268 1.00 25.00 C ATOM 767 C LEU A 50 -2.774 -8.390 -19.409 1.00 25.00 C ATOM 768 O LEU A 50 -2.573 -8.859 -18.293 1.00 25.00 O ATOM 769 CB LEU A 50 -0.968 -9.133 -20.959 1.00 25.00 C ATOM 770 CG LEU A 50 -1.817 -9.937 -21.956 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.181 -9.102 -23.180 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.039 -11.179 -22.382 1.00 25.00 C ATOM 0 H LEU A 50 -0.676 -7.587 -18.425 1.00 25.00 H new ATOM 0 HA LEU A 50 -1.942 -7.195 -21.010 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.077 -8.791 -21.485 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.635 -9.819 -20.180 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.747 -10.227 -21.468 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.781 -9.702 -23.864 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.752 -8.228 -22.867 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.270 -8.779 -23.684 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.634 -11.756 -23.090 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.104 -10.878 -22.854 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -0.823 -11.791 -21.506 1.00 25.00 H new ATOM 784 N HIS A 51 -3.988 -8.258 -19.929 1.00 25.00 N ATOM 785 CA HIS A 51 -5.200 -8.783 -19.274 1.00 25.00 C ATOM 786 C HIS A 51 -5.380 -8.316 -17.817 1.00 25.00 C ATOM 787 O HIS A 51 -5.826 -9.069 -16.944 1.00 25.00 O ATOM 788 CB HIS A 51 -5.224 -10.324 -19.371 1.00 25.00 C ATOM 789 CG HIS A 51 -6.606 -10.895 -19.402 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.420 -11.010 -18.306 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.335 -11.397 -20.437 1.00 25.00 C ATOM 792 CE1 HIS A 51 -8.569 -11.553 -18.694 1.00 25.00 C ATOM 793 NE2 HIS A 51 -8.575 -11.807 -19.990 1.00 25.00 N ATOM 0 H HIS A 51 -4.170 -7.786 -20.815 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.050 -8.366 -19.814 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.691 -10.633 -20.270 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.685 -10.743 -18.521 1.00 25.00 H new ATOM 0 HD1 HIS A 51 -7.184 -10.727 -17.355 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -6.993 -11.465 -21.459 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -9.396 -11.761 -18.031 1.00 25.00 H new ATOM 801 N GLY A 52 -5.050 -7.053 -17.552 1.00 25.00 N ATOM 802 CA GLY A 52 -5.252 -6.488 -16.227 1.00 25.00 C ATOM 803 C GLY A 52 -4.187 -6.840 -15.202 1.00 25.00 C ATOM 804 O GLY A 52 -4.300 -6.460 -14.038 1.00 25.00 O ATOM 0 H GLY A 52 -4.646 -6.410 -18.233 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -5.302 -5.403 -16.317 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.219 -6.822 -15.851 1.00 25.00 H new ATOM 808 N ARG A 53 -3.159 -7.567 -15.621 1.00 25.00 N ATOM 809 CA ARG A 53 -2.065 -7.943 -14.731 1.00 25.00 C ATOM 810 C ARG A 53 -0.758 -7.507 -15.353 1.00 25.00 C ATOM 811 O ARG A 53 -0.692 -7.252 -16.555 1.00 25.00 O ATOM 812 CB ARG A 53 -2.023 -9.462 -14.539 1.00 25.00 C ATOM 813 CG ARG A 53 -3.200 -10.029 -13.770 1.00 25.00 C ATOM 814 CD ARG A 53 -2.878 -11.467 -13.360 1.00 25.00 C ATOM 815 NE ARG A 53 -3.963 -12.093 -12.584 1.00 25.00 N ATOM 816 CZ ARG A 53 -3.917 -13.316 -12.074 1.00 25.00 C ATOM 817 NH1 ARG A 53 -2.875 -14.098 -12.218 1.00 25.00 N ATOM 818 NH2 ARG A 53 -4.948 -13.776 -11.411 1.00 25.00 N ATOM 0 H ARG A 53 -3.059 -7.910 -16.576 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.219 -7.462 -13.765 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -1.981 -9.939 -15.518 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -1.103 -9.725 -14.017 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -3.401 -9.422 -12.888 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.099 -10.005 -14.386 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -2.686 -12.061 -14.254 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -1.962 -11.476 -12.769 1.00 25.00 H new ATOM 0 HE ARG A 53 -4.810 -11.546 -12.428 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -2.060 -13.772 -12.738 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -2.879 -15.033 -11.810 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -5.777 -13.195 -11.290 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -4.922 -14.716 -11.015 1.00 25.00 H new ATOM 832 N GLN A 54 0.284 -7.502 -14.560 1.00 25.00 N ATOM 833 CA GLN A 54 1.631 -7.362 -15.066 1.00 25.00 C ATOM 834 C GLN A 54 2.377 -8.543 -14.466 1.00 25.00 C ATOM 835 O GLN A 54 2.025 -8.993 -13.381 1.00 25.00 O ATOM 836 CB GLN A 54 2.265 -6.012 -14.693 1.00 25.00 C ATOM 837 CG GLN A 54 2.226 -5.642 -13.214 1.00 25.00 C ATOM 838 CD GLN A 54 1.056 -4.738 -12.878 1.00 25.00 C ATOM 839 OE1 GLN A 54 -0.075 -5.181 -12.759 1.00 25.00 O ATOM 840 NE2 GLN A 54 1.319 -3.471 -12.730 1.00 25.00 N ATOM 0 H GLN A 54 0.225 -7.595 -13.546 1.00 25.00 H new ATOM 0 HA GLN A 54 1.663 -7.367 -16.156 1.00 25.00 H new ATOM 0 HB2 GLN A 54 3.305 -6.019 -15.018 1.00 25.00 H new ATOM 0 HB3 GLN A 54 1.760 -5.228 -15.257 1.00 25.00 H new ATOM 0 HG2 GLN A 54 2.163 -6.551 -12.616 1.00 25.00 H new ATOM 0 HG3 GLN A 54 3.157 -5.144 -12.941 1.00 25.00 H new ATOM 0 HE21 GLN A 54 2.275 -3.133 -12.836 1.00 25.00 H new ATOM 0 HE22 GLN A 54 0.569 -2.817 -12.508 1.00 25.00 H new ATOM 849 N GLY A 55 3.358 -9.055 -15.186 1.00 25.00 N ATOM 850 CA GLY A 55 4.082 -10.230 -14.728 1.00 25.00 C ATOM 851 C GLY A 55 5.257 -10.498 -15.633 1.00 25.00 C ATOM 852 O GLY A 55 5.429 -9.824 -16.664 1.00 25.00 O ATOM 0 H GLY A 55 3.671 -8.681 -16.082 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.427 -10.078 -13.705 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.418 -11.094 -14.715 1.00 25.00 H new ATOM 856 N ILE A 56 6.095 -11.447 -15.251 1.00 25.00 N ATOM 857 CA ILE A 56 7.300 -11.749 -16.012 1.00 25.00 C ATOM 858 C ILE A 56 6.944 -12.529 -17.287 1.00 25.00 C ATOM 859 O ILE A 56 6.023 -13.353 -17.302 1.00 25.00 O ATOM 860 CB ILE A 56 8.361 -12.509 -15.143 1.00 25.00 C ATOM 861 CG1 ILE A 56 7.874 -13.918 -14.739 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.686 -11.666 -13.878 1.00 25.00 C ATOM 863 CD1 ILE A 56 8.957 -14.802 -14.112 1.00 25.00 C ATOM 0 H ILE A 56 5.965 -12.023 -14.419 1.00 25.00 H new ATOM 0 HA ILE A 56 7.759 -10.806 -16.308 1.00 25.00 H new ATOM 0 HB ILE A 56 9.262 -12.641 -15.743 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.050 -13.817 -14.033 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.477 -14.420 -15.622 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.423 -12.191 -13.271 1.00 25.00 H new ATOM 0 HG22 ILE A 56 9.086 -10.698 -14.179 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.776 -11.517 -13.296 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.532 -15.773 -13.858 1.00 25.00 H new ATOM 0 HD12 ILE A 56 9.772 -14.938 -14.823 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.338 -14.325 -13.209 1.00 25.00 H new ATOM 875 N VAL A 57 7.649 -12.212 -18.369 1.00 25.00 N ATOM 876 CA VAL A 57 7.439 -12.849 -19.675 1.00 25.00 C ATOM 877 C VAL A 57 8.803 -13.074 -20.343 1.00 25.00 C ATOM 878 O VAL A 57 9.628 -12.153 -20.387 1.00 25.00 O ATOM 879 CB VAL A 57 6.603 -11.925 -20.618 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.526 -12.501 -22.027 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.202 -11.732 -20.070 1.00 25.00 C ATOM 0 H VAL A 57 8.385 -11.505 -18.370 1.00 25.00 H new ATOM 0 HA VAL A 57 6.909 -13.788 -19.516 1.00 25.00 H new ATOM 0 HB VAL A 57 7.107 -10.959 -20.664 1.00 25.00 H new ATOM 0 HG11 VAL A 57 5.938 -11.836 -22.660 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.532 -12.597 -22.436 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.053 -13.482 -21.994 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.635 -11.086 -20.740 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.705 -12.699 -19.992 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.257 -11.272 -19.083 1.00 25.00 H new ATOM 891 N PRO A 58 9.053 -14.275 -20.907 1.00 25.00 N ATOM 892 CA PRO A 58 10.323 -14.431 -21.625 1.00 25.00 C ATOM 893 C PRO A 58 10.331 -13.645 -22.945 1.00 25.00 C ATOM 894 O PRO A 58 9.618 -13.963 -23.897 1.00 25.00 O ATOM 895 CB PRO A 58 10.407 -15.945 -21.841 1.00 25.00 C ATOM 896 CG PRO A 58 8.993 -16.377 -21.940 1.00 25.00 C ATOM 897 CD PRO A 58 8.244 -15.512 -20.968 1.00 25.00 C ATOM 0 HA PRO A 58 11.181 -14.036 -21.081 1.00 25.00 H new ATOM 0 HB2 PRO A 58 10.962 -16.188 -22.747 1.00 25.00 H new ATOM 0 HB3 PRO A 58 10.917 -16.438 -21.013 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.613 -16.249 -22.954 1.00 25.00 H new ATOM 0 HG3 PRO A 58 8.886 -17.433 -21.690 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.229 -15.311 -21.310 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.162 -15.986 -19.990 1.00 25.00 H new ATOM 905 N GLY A 59 11.168 -12.623 -23.006 1.00 25.00 N ATOM 906 CA GLY A 59 11.262 -11.764 -24.174 1.00 25.00 C ATOM 907 C GLY A 59 11.810 -12.478 -25.388 1.00 25.00 C ATOM 908 O GLY A 59 11.561 -12.077 -26.519 1.00 25.00 O ATOM 0 H GLY A 59 11.801 -12.366 -22.248 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.274 -11.368 -24.407 1.00 25.00 H new ATOM 0 HA3 GLY A 59 11.900 -10.912 -23.941 1.00 25.00 H new ATOM 912 N ASN A 60 12.479 -13.602 -25.160 1.00 25.00 N ATOM 913 CA ASN A 60 12.975 -14.451 -26.249 1.00 25.00 C ATOM 914 C ASN A 60 11.830 -15.071 -27.078 1.00 25.00 C ATOM 915 O ASN A 60 12.063 -15.747 -28.073 1.00 25.00 O ATOM 916 CB ASN A 60 13.859 -15.567 -25.668 1.00 25.00 C ATOM 917 CG ASN A 60 14.625 -16.312 -26.728 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.300 -15.730 -27.549 1.00 25.00 O ATOM 919 ND2 ASN A 60 14.522 -17.612 -26.712 1.00 25.00 N ATOM 0 H ASN A 60 12.694 -13.953 -24.227 1.00 25.00 H new ATOM 0 HA ASN A 60 13.556 -13.819 -26.920 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.561 -15.135 -24.955 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.235 -16.269 -25.116 1.00 25.00 H new ATOM 0 HD21 ASN A 60 15.019 -18.172 -27.405 1.00 25.00 H new ATOM 0 HD22 ASN A 60 13.945 -18.069 -26.006 1.00 25.00 H new ATOM 926 N ARG A 61 10.591 -14.866 -26.642 1.00 25.00 N ATOM 927 CA ARG A 61 9.416 -15.381 -27.349 1.00 25.00 C ATOM 928 C ARG A 61 8.542 -14.234 -27.846 1.00 25.00 C ATOM 929 O ARG A 61 7.398 -14.458 -28.263 1.00 25.00 O ATOM 930 CB ARG A 61 8.600 -16.292 -26.421 1.00 25.00 C ATOM 931 CG ARG A 61 9.391 -17.471 -25.867 1.00 25.00 C ATOM 932 CD ARG A 61 8.459 -18.437 -25.136 1.00 25.00 C ATOM 933 NE ARG A 61 9.197 -19.458 -24.356 1.00 25.00 N ATOM 934 CZ ARG A 61 9.630 -20.631 -24.818 1.00 25.00 C ATOM 935 NH1 ARG A 61 9.452 -21.005 -26.061 1.00 25.00 N ATOM 936 NH2 ARG A 61 10.255 -21.437 -24.001 1.00 25.00 N ATOM 0 H ARG A 61 10.370 -14.342 -25.795 1.00 25.00 H new ATOM 0 HA ARG A 61 9.758 -15.957 -28.209 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.218 -15.700 -25.590 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.736 -16.670 -26.967 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.900 -17.990 -26.679 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.162 -17.112 -25.185 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.809 -17.873 -24.467 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.815 -18.934 -25.861 1.00 25.00 H new ATOM 0 HE ARG A 61 9.391 -19.244 -23.378 1.00 25.00 H new ATOM 0 HH11 ARG A 61 8.967 -20.390 -26.714 1.00 25.00 H new ATOM 0 HH12 ARG A 61 9.799 -21.911 -26.376 1.00 25.00 H new ATOM 0 HH21 ARG A 61 10.404 -21.164 -23.030 1.00 25.00 H new ATOM 0 HH22 ARG A 61 10.594 -22.339 -24.335 1.00 25.00 H new ATOM 950 N LEU A 62 9.059 -13.013 -27.785 1.00 25.00 N ATOM 951 CA LEU A 62 8.298 -11.825 -28.168 1.00 25.00 C ATOM 952 C LEU A 62 9.007 -11.043 -29.282 1.00 25.00 C ATOM 953 O LEU A 62 10.224 -11.073 -29.397 1.00 25.00 O ATOM 954 CB LEU A 62 8.154 -10.889 -26.962 1.00 25.00 C ATOM 955 CG LEU A 62 7.491 -11.378 -25.664 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.501 -10.213 -24.660 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.076 -11.854 -25.901 1.00 25.00 C ATOM 0 H LEU A 62 10.010 -12.817 -27.472 1.00 25.00 H new ATOM 0 HA LEU A 62 7.324 -12.162 -28.522 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.155 -10.546 -26.701 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.595 -10.016 -27.299 1.00 25.00 H new ATOM 0 HG LEU A 62 8.049 -12.229 -25.274 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.036 -10.532 -23.728 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.529 -9.908 -24.466 1.00 25.00 H new ATOM 0 HD13 LEU A 62 6.945 -9.372 -25.073 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.643 -12.191 -24.959 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.479 -11.035 -26.302 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.084 -12.680 -26.613 1.00 25.00 H new ATOM 969 N LYS A 63 8.234 -10.282 -30.051 1.00 25.00 N ATOM 970 CA LYS A 63 8.778 -9.369 -31.068 1.00 25.00 C ATOM 971 C LYS A 63 8.319 -7.949 -30.765 1.00 25.00 C ATOM 972 O LYS A 63 7.124 -7.674 -30.790 1.00 25.00 O ATOM 973 CB LYS A 63 8.290 -9.771 -32.467 1.00 25.00 C ATOM 974 CG LYS A 63 8.821 -8.863 -33.578 1.00 25.00 C ATOM 975 CD LYS A 63 8.195 -9.219 -34.916 1.00 25.00 C ATOM 976 CE LYS A 63 8.686 -8.270 -36.017 1.00 25.00 C ATOM 977 NZ LYS A 63 10.158 -8.432 -36.309 1.00 25.00 N ATOM 0 H LYS A 63 7.216 -10.276 -29.992 1.00 25.00 H new ATOM 0 HA LYS A 63 9.866 -9.424 -31.045 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.595 -10.798 -32.669 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.200 -9.754 -32.483 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.605 -7.822 -33.337 1.00 25.00 H new ATOM 0 HG3 LYS A 63 9.905 -8.957 -33.643 1.00 25.00 H new ATOM 0 HD2 LYS A 63 8.445 -10.247 -35.178 1.00 25.00 H new ATOM 0 HD3 LYS A 63 7.109 -9.165 -34.840 1.00 25.00 H new ATOM 0 HE2 LYS A 63 8.116 -8.451 -36.928 1.00 25.00 H new ATOM 0 HE3 LYS A 63 8.490 -7.240 -35.718 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 10.417 -7.843 -37.126 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 10.711 -8.135 -35.480 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 10.362 -9.429 -36.522 1.00 25.00 H new ATOM 991 N ILE A 64 9.265 -7.053 -30.503 1.00 25.00 N ATOM 992 CA ILE A 64 8.951 -5.643 -30.204 1.00 25.00 C ATOM 993 C ILE A 64 8.217 -4.992 -31.386 1.00 25.00 C ATOM 994 O ILE A 64 8.649 -5.105 -32.532 1.00 25.00 O ATOM 995 CB ILE A 64 10.263 -4.823 -29.918 1.00 25.00 C ATOM 996 CG1 ILE A 64 11.006 -5.379 -28.676 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.948 -3.309 -29.730 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.326 -5.105 -27.306 1.00 25.00 C ATOM 0 H ILE A 64 10.261 -7.270 -30.490 1.00 25.00 H new ATOM 0 HA ILE A 64 8.314 -5.631 -29.319 1.00 25.00 H new ATOM 0 HB ILE A 64 10.915 -4.931 -30.785 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.120 -6.456 -28.796 1.00 25.00 H new ATOM 0 HG13 ILE A 64 12.009 -4.953 -28.655 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.873 -2.767 -29.534 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.484 -2.919 -30.636 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.267 -3.181 -28.889 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.929 -5.537 -26.508 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.237 -4.030 -27.153 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.334 -5.556 -27.296 1.00 25.00 H new ATOM 1010 N LEU A 65 7.126 -4.301 -31.078 1.00 25.00 N ATOM 1011 CA LEU A 65 6.355 -3.547 -32.060 1.00 25.00 C ATOM 1012 C LEU A 65 5.981 -2.202 -31.435 1.00 25.00 C ATOM 1013 O LEU A 65 5.498 -2.147 -30.304 1.00 25.00 O ATOM 1014 CB LEU A 65 5.063 -4.287 -32.441 1.00 25.00 C ATOM 1015 CG LEU A 65 5.200 -5.596 -33.234 1.00 25.00 C ATOM 1016 CD1 LEU A 65 3.810 -6.180 -33.476 1.00 25.00 C ATOM 1017 CD2 LEU A 65 5.900 -5.391 -34.592 1.00 25.00 C ATOM 0 H LEU A 65 6.748 -4.248 -30.132 1.00 25.00 H new ATOM 0 HA LEU A 65 6.956 -3.418 -32.960 1.00 25.00 H new ATOM 0 HB2 LEU A 65 4.518 -4.506 -31.523 1.00 25.00 H new ATOM 0 HB3 LEU A 65 4.444 -3.604 -33.024 1.00 25.00 H new ATOM 0 HG LEU A 65 5.815 -6.275 -32.644 1.00 25.00 H new ATOM 0 HD11 LEU A 65 3.899 -7.109 -34.038 1.00 25.00 H new ATOM 0 HD12 LEU A 65 3.328 -6.380 -32.519 1.00 25.00 H new ATOM 0 HD13 LEU A 65 3.210 -5.468 -34.043 1.00 25.00 H new ATOM 0 HD21 LEU A 65 5.972 -6.346 -35.112 1.00 25.00 H new ATOM 0 HD22 LEU A 65 5.323 -4.691 -35.197 1.00 25.00 H new ATOM 0 HD23 LEU A 65 6.901 -4.991 -34.429 1.00 25.00 H new ATOM 1029 N VAL A 66 6.175 -1.117 -32.168 1.00 25.00 N ATOM 1030 CA VAL A 66 5.781 0.208 -31.683 1.00 25.00 C ATOM 1031 C VAL A 66 4.313 0.423 -32.063 1.00 25.00 C ATOM 1032 O VAL A 66 4.011 0.878 -33.157 1.00 25.00 O ATOM 1033 CB VAL A 66 6.675 1.343 -32.287 1.00 25.00 C ATOM 1034 CG1 VAL A 66 6.302 2.716 -31.678 1.00 25.00 C ATOM 1035 CG2 VAL A 66 8.166 1.055 -32.024 1.00 25.00 C ATOM 0 H VAL A 66 6.599 -1.121 -33.095 1.00 25.00 H new ATOM 0 HA VAL A 66 5.914 0.252 -30.602 1.00 25.00 H new ATOM 0 HB VAL A 66 6.499 1.371 -33.362 1.00 25.00 H new ATOM 0 HG11 VAL A 66 6.935 3.490 -32.111 1.00 25.00 H new ATOM 0 HG12 VAL A 66 5.257 2.938 -31.895 1.00 25.00 H new ATOM 0 HG13 VAL A 66 6.451 2.688 -30.599 1.00 25.00 H new ATOM 0 HG21 VAL A 66 8.772 1.854 -32.451 1.00 25.00 H new ATOM 0 HG22 VAL A 66 8.342 1.000 -30.950 1.00 25.00 H new ATOM 0 HG23 VAL A 66 8.440 0.106 -32.485 1.00 25.00 H new ATOM 1045 N GLY A 67 3.409 0.018 -31.184 1.00 25.00 N ATOM 1046 CA GLY A 67 1.984 0.119 -31.486 1.00 25.00 C ATOM 1047 C GLY A 67 1.381 1.470 -31.138 1.00 25.00 C ATOM 1048 O GLY A 67 0.324 1.827 -31.643 1.00 25.00 O ATOM 0 H GLY A 67 3.628 -0.378 -30.270 1.00 25.00 H new ATOM 0 HA2 GLY A 67 1.832 -0.074 -32.548 1.00 25.00 H new ATOM 0 HA3 GLY A 67 1.450 -0.659 -30.941 1.00 25.00 H new ATOM 1052 N MET A 68 2.059 2.213 -30.270 1.00 25.00 N ATOM 1053 CA MET A 68 1.587 3.526 -29.853 1.00 25.00 C ATOM 1054 C MET A 68 2.719 4.531 -29.919 1.00 25.00 C ATOM 1055 O MET A 68 3.829 4.261 -29.475 1.00 25.00 O ATOM 1056 CB MET A 68 1.045 3.496 -28.414 1.00 25.00 C ATOM 1057 CG MET A 68 -0.376 2.949 -28.305 1.00 25.00 C ATOM 1058 SD MET A 68 -0.442 1.145 -28.221 1.00 25.00 S ATOM 1059 CE MET A 68 -2.186 0.851 -28.545 1.00 25.00 C ATOM 0 H MET A 68 2.939 1.926 -29.841 1.00 25.00 H new ATOM 0 HA MET A 68 0.783 3.814 -30.530 1.00 25.00 H new ATOM 0 HB2 MET A 68 1.707 2.887 -27.798 1.00 25.00 H new ATOM 0 HB3 MET A 68 1.068 4.506 -28.005 1.00 25.00 H new ATOM 0 HG2 MET A 68 -0.851 3.365 -27.416 1.00 25.00 H new ATOM 0 HG3 MET A 68 -0.955 3.287 -29.164 1.00 25.00 H new ATOM 0 HE1 MET A 68 -2.384 -0.221 -28.526 1.00 25.00 H new ATOM 0 HE2 MET A 68 -2.786 1.345 -27.781 1.00 25.00 H new ATOM 0 HE3 MET A 68 -2.446 1.251 -29.525 1.00 25.00 H new ATOM 1069 N TYR A 69 2.412 5.695 -30.468 1.00 25.00 N ATOM 1070 CA TYR A 69 3.348 6.817 -30.515 1.00 25.00 C ATOM 1071 C TYR A 69 2.821 7.883 -29.563 1.00 25.00 C ATOM 1072 O TYR A 69 3.560 8.409 -28.720 1.00 25.00 O ATOM 1073 CB TYR A 69 3.443 7.362 -31.940 1.00 25.00 C ATOM 1074 CG TYR A 69 4.192 8.672 -32.030 1.00 25.00 C ATOM 1075 CD1 TYR A 69 5.602 8.699 -32.084 1.00 25.00 C ATOM 1076 CD2 TYR A 69 3.494 9.899 -32.062 1.00 25.00 C ATOM 1077 CE1 TYR A 69 6.303 9.940 -32.177 1.00 25.00 C ATOM 1078 CE2 TYR A 69 4.189 11.133 -32.146 1.00 25.00 C ATOM 1079 CZ TYR A 69 5.586 11.141 -32.209 1.00 25.00 C ATOM 1080 OH TYR A 69 6.256 12.335 -32.300 1.00 25.00 O ATOM 0 H TYR A 69 1.507 5.893 -30.895 1.00 25.00 H new ATOM 0 HA TYR A 69 4.349 6.504 -30.217 1.00 25.00 H new ATOM 0 HB2 TYR A 69 3.938 6.624 -32.572 1.00 25.00 H new ATOM 0 HB3 TYR A 69 2.437 7.498 -32.337 1.00 25.00 H new ATOM 0 HD1 TYR A 69 6.156 7.773 -32.055 1.00 25.00 H new ATOM 0 HD2 TYR A 69 2.415 9.898 -32.022 1.00 25.00 H new ATOM 0 HE1 TYR A 69 7.382 9.951 -32.222 1.00 25.00 H new ATOM 0 HE2 TYR A 69 3.641 12.063 -32.161 1.00 25.00 H new ATOM 0 HH TYR A 69 5.610 13.072 -32.312 1.00 25.00 H new ATOM 1090 N ASP A 70 1.522 8.133 -29.666 1.00 25.00 N ATOM 1091 CA ASP A 70 0.804 8.996 -28.734 1.00 25.00 C ATOM 1092 C ASP A 70 0.706 8.247 -27.406 1.00 25.00 C ATOM 1093 O ASP A 70 0.625 7.015 -27.395 1.00 25.00 O ATOM 1094 CB ASP A 70 -0.591 9.303 -29.275 1.00 25.00 C ATOM 1095 CG ASP A 70 -1.337 10.308 -28.417 1.00 25.00 C ATOM 1096 OD1 ASP A 70 -2.577 10.353 -28.503 1.00 25.00 O ATOM 1097 OD2 ASP A 70 -0.674 11.035 -27.643 1.00 25.00 O ATOM 0 H ASP A 70 0.933 7.742 -30.401 1.00 25.00 H new ATOM 0 HA ASP A 70 1.326 9.943 -28.601 1.00 25.00 H new ATOM 0 HB2 ASP A 70 -0.507 9.689 -30.291 1.00 25.00 H new ATOM 0 HB3 ASP A 70 -1.167 8.379 -29.331 1.00 25.00 H new ATOM 1102 N LYS A 71 0.801 8.976 -26.301 1.00 25.00 N ATOM 1103 CA LYS A 71 0.894 8.400 -24.955 1.00 25.00 C ATOM 1104 C LYS A 71 0.763 9.544 -23.975 1.00 25.00 C ATOM 1105 O LYS A 71 0.813 10.705 -24.354 1.00 25.00 O ATOM 1106 CB LYS A 71 2.259 7.711 -24.764 1.00 25.00 C ATOM 1107 CG LYS A 71 3.446 8.623 -25.024 1.00 25.00 C ATOM 1108 CD LYS A 71 4.736 7.830 -25.135 1.00 25.00 C ATOM 1109 CE LYS A 71 5.873 8.743 -25.580 1.00 25.00 C ATOM 1110 NZ LYS A 71 5.584 9.353 -26.932 1.00 25.00 N ATOM 0 H LYS A 71 0.816 9.996 -26.309 1.00 25.00 H new ATOM 0 HA LYS A 71 0.113 7.655 -24.801 1.00 25.00 H new ATOM 0 HB2 LYS A 71 2.323 7.328 -23.746 1.00 25.00 H new ATOM 0 HB3 LYS A 71 2.319 6.852 -25.432 1.00 25.00 H new ATOM 0 HG2 LYS A 71 3.281 9.185 -25.944 1.00 25.00 H new ATOM 0 HG3 LYS A 71 3.532 9.351 -24.217 1.00 25.00 H new ATOM 0 HD2 LYS A 71 4.978 7.377 -24.174 1.00 25.00 H new ATOM 0 HD3 LYS A 71 4.612 7.016 -25.849 1.00 25.00 H new ATOM 0 HE2 LYS A 71 6.017 9.534 -24.844 1.00 25.00 H new ATOM 0 HE3 LYS A 71 6.803 8.176 -25.625 1.00 25.00 H new ATOM 0 HZ1 LYS A 71 6.439 9.308 -27.523 1.00 25.00 H new ATOM 0 HZ2 LYS A 71 4.816 8.826 -27.394 1.00 25.00 H new ATOM 0 HZ3 LYS A 71 5.299 10.346 -26.811 1.00 25.00 H new ATOM 1124 N LYS A 72 0.647 9.202 -22.702 1.00 25.00 N ATOM 1125 CA LYS A 72 0.589 10.202 -21.643 1.00 25.00 C ATOM 1126 C LYS A 72 1.877 11.030 -21.664 1.00 25.00 C ATOM 1127 O LYS A 72 2.951 10.474 -21.871 1.00 25.00 O ATOM 1128 CB LYS A 72 0.483 9.503 -20.286 1.00 25.00 C ATOM 1129 CG LYS A 72 -0.772 8.651 -20.116 1.00 25.00 C ATOM 1130 CD LYS A 72 -0.661 7.814 -18.856 1.00 25.00 C ATOM 1131 CE LYS A 72 -1.881 6.920 -18.654 1.00 25.00 C ATOM 1132 NZ LYS A 72 -3.133 7.722 -18.386 1.00 25.00 N ATOM 0 H LYS A 72 0.591 8.238 -22.374 1.00 25.00 H new ATOM 0 HA LYS A 72 -0.277 10.845 -21.800 1.00 25.00 H new ATOM 0 HB2 LYS A 72 1.359 8.870 -20.147 1.00 25.00 H new ATOM 0 HB3 LYS A 72 0.506 10.257 -19.499 1.00 25.00 H new ATOM 0 HG2 LYS A 72 -1.652 9.292 -20.061 1.00 25.00 H new ATOM 0 HG3 LYS A 72 -0.903 8.003 -20.983 1.00 25.00 H new ATOM 0 HD2 LYS A 72 0.236 7.197 -18.909 1.00 25.00 H new ATOM 0 HD3 LYS A 72 -0.546 8.471 -17.994 1.00 25.00 H new ATOM 0 HE2 LYS A 72 -2.029 6.303 -19.540 1.00 25.00 H new ATOM 0 HE3 LYS A 72 -1.699 6.242 -17.820 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 -3.919 7.076 -18.171 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 -2.973 8.355 -17.576 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 -3.369 8.288 -19.226 1.00 25.00 H new ATOM 1146 N PRO A 73 1.794 12.349 -21.404 1.00 25.00 N ATOM 1147 CA PRO A 73 3.050 13.112 -21.389 1.00 25.00 C ATOM 1148 C PRO A 73 3.933 12.789 -20.181 1.00 25.00 C ATOM 1149 O PRO A 73 5.156 12.941 -20.251 1.00 25.00 O ATOM 1150 CB PRO A 73 2.564 14.566 -21.359 1.00 25.00 C ATOM 1151 CG PRO A 73 1.261 14.506 -20.648 1.00 25.00 C ATOM 1152 CD PRO A 73 0.628 13.217 -21.131 1.00 25.00 C ATOM 0 HA PRO A 73 3.686 12.879 -22.243 1.00 25.00 H new ATOM 0 HB2 PRO A 73 3.272 15.211 -20.838 1.00 25.00 H new ATOM 0 HB3 PRO A 73 2.449 14.967 -22.366 1.00 25.00 H new ATOM 0 HG2 PRO A 73 1.398 14.501 -19.567 1.00 25.00 H new ATOM 0 HG3 PRO A 73 0.638 15.368 -20.886 1.00 25.00 H new ATOM 0 HD2 PRO A 73 -0.029 12.784 -20.377 1.00 25.00 H new ATOM 0 HD3 PRO A 73 0.025 13.375 -22.025 1.00 25.00 H new ATOM 1160 N ALA A 74 3.305 12.309 -19.107 1.00 25.00 N ATOM 1161 CA ALA A 74 3.989 11.953 -17.853 1.00 25.00 C ATOM 1162 C ALA A 74 4.741 13.180 -17.293 1.00 25.00 C ATOM 1163 O ALA A 74 4.347 14.311 -17.554 1.00 25.00 O ATOM 1164 CB ALA A 74 4.941 10.747 -18.077 1.00 25.00 C ATOM 0 H ALA A 74 2.297 12.153 -19.078 1.00 25.00 H new ATOM 0 HA ALA A 74 3.247 11.650 -17.114 1.00 25.00 H new ATOM 0 HB1 ALA A 74 5.438 10.497 -17.140 1.00 25.00 H new ATOM 0 HB2 ALA A 74 4.365 9.888 -18.422 1.00 25.00 H new ATOM 0 HB3 ALA A 74 5.688 11.008 -18.826 1.00 25.00 H new ATOM 1170 N GLY A 75 5.791 12.944 -16.517 1.00 25.00 N ATOM 1171 CA GLY A 75 6.581 14.025 -15.943 1.00 25.00 C ATOM 1172 C GLY A 75 6.195 14.344 -14.514 1.00 25.00 C ATOM 1173 O GLY A 75 6.939 15.022 -13.813 1.00 25.00 O ATOM 0 H GLY A 75 6.116 12.009 -16.270 1.00 25.00 H new ATOM 0 HA2 GLY A 75 7.636 13.754 -15.977 1.00 25.00 H new ATOM 0 HA3 GLY A 75 6.462 14.919 -16.554 1.00 25.00 H new ATOM 1177 N GLU A 76 5.041 13.847 -14.086 1.00 25.00 N ATOM 1178 CA GLU A 76 4.552 14.057 -12.722 1.00 25.00 C ATOM 1179 C GLU A 76 5.381 13.201 -11.749 1.00 25.00 C ATOM 1180 O GLU A 76 5.089 12.025 -11.525 1.00 25.00 O ATOM 1181 CB GLU A 76 3.059 13.689 -12.628 1.00 25.00 C ATOM 1182 CG GLU A 76 2.411 13.965 -11.261 1.00 25.00 C ATOM 1183 CD GLU A 76 2.339 15.446 -10.925 1.00 25.00 C ATOM 1184 OE1 GLU A 76 2.224 16.266 -11.864 1.00 25.00 O ATOM 1185 OE2 GLU A 76 2.397 15.785 -9.723 1.00 25.00 O ATOM 0 H GLU A 76 4.417 13.289 -14.669 1.00 25.00 H new ATOM 0 HA GLU A 76 4.660 15.108 -12.455 1.00 25.00 H new ATOM 0 HB2 GLU A 76 2.514 14.244 -13.391 1.00 25.00 H new ATOM 0 HB3 GLU A 76 2.945 12.630 -12.861 1.00 25.00 H new ATOM 0 HG2 GLU A 76 1.405 13.547 -11.251 1.00 25.00 H new ATOM 0 HG3 GLU A 76 2.978 13.449 -10.486 1.00 25.00 H new ATOM 1192 N PHE A 77 6.455 13.781 -11.232 1.00 25.00 N ATOM 1193 CA PHE A 77 7.357 13.098 -10.318 1.00 25.00 C ATOM 1194 C PHE A 77 8.166 14.145 -9.578 1.00 25.00 C ATOM 1195 O PHE A 77 8.205 15.308 -9.984 1.00 25.00 O ATOM 1196 CB PHE A 77 8.297 12.170 -11.090 1.00 25.00 C ATOM 1197 CG PHE A 77 8.959 11.133 -10.227 1.00 25.00 C ATOM 1198 CD1 PHE A 77 8.201 10.116 -9.630 1.00 25.00 C ATOM 1199 CD2 PHE A 77 10.343 11.167 -10.001 1.00 25.00 C ATOM 1200 CE1 PHE A 77 8.823 9.123 -8.811 1.00 25.00 C ATOM 1201 CE2 PHE A 77 10.977 10.187 -9.196 1.00 25.00 C ATOM 1202 CZ PHE A 77 10.215 9.159 -8.599 1.00 25.00 C ATOM 0 H PHE A 77 6.726 14.743 -11.436 1.00 25.00 H new ATOM 0 HA PHE A 77 6.782 12.495 -9.615 1.00 25.00 H new ATOM 0 HB2 PHE A 77 7.734 11.670 -11.878 1.00 25.00 H new ATOM 0 HB3 PHE A 77 9.066 12.769 -11.578 1.00 25.00 H new ATOM 0 HD1 PHE A 77 7.134 10.082 -9.791 1.00 25.00 H new ATOM 0 HD2 PHE A 77 10.935 11.952 -10.447 1.00 25.00 H new ATOM 0 HE1 PHE A 77 8.226 8.346 -8.356 1.00 25.00 H new ATOM 0 HE2 PHE A 77 12.045 10.227 -9.039 1.00 25.00 H new ATOM 0 HZ PHE A 77 10.694 8.409 -7.987 1.00 25.00 H new ATOM 1212 N ILE A 78 8.824 13.747 -8.500 1.00 25.00 N ATOM 1213 CA ILE A 78 9.668 14.653 -7.735 1.00 25.00 C ATOM 1214 C ILE A 78 10.953 14.953 -8.510 1.00 25.00 C ATOM 1215 O ILE A 78 11.324 14.237 -9.446 1.00 25.00 O ATOM 1216 CB ILE A 78 10.026 14.050 -6.343 1.00 25.00 C ATOM 1217 CG1 ILE A 78 10.806 12.724 -6.492 1.00 25.00 C ATOM 1218 CG2 ILE A 78 8.741 13.831 -5.517 1.00 25.00 C ATOM 1219 CD1 ILE A 78 11.456 12.222 -5.197 1.00 25.00 C ATOM 0 H ILE A 78 8.789 12.796 -8.133 1.00 25.00 H new ATOM 0 HA ILE A 78 9.112 15.577 -7.577 1.00 25.00 H new ATOM 0 HB ILE A 78 10.669 14.757 -5.819 1.00 25.00 H new ATOM 0 HG12 ILE A 78 10.127 11.957 -6.864 1.00 25.00 H new ATOM 0 HG13 ILE A 78 11.582 12.856 -7.246 1.00 25.00 H new ATOM 0 HG21 ILE A 78 9.000 13.409 -4.546 1.00 25.00 H new ATOM 0 HG22 ILE A 78 8.233 14.785 -5.375 1.00 25.00 H new ATOM 0 HG23 ILE A 78 8.081 13.144 -6.046 1.00 25.00 H new ATOM 0 HD11 ILE A 78 11.982 11.287 -5.392 1.00 25.00 H new ATOM 0 HD12 ILE A 78 12.163 12.967 -4.832 1.00 25.00 H new ATOM 0 HD13 ILE A 78 10.686 12.054 -4.444 1.00 25.00 H new ATOM 1231 N VAL A 79 11.639 16.012 -8.112 1.00 25.00 N ATOM 1232 CA VAL A 79 12.909 16.371 -8.716 1.00 25.00 C ATOM 1233 C VAL A 79 13.944 15.302 -8.397 1.00 25.00 C ATOM 1234 O VAL A 79 13.885 14.655 -7.354 1.00 25.00 O ATOM 1235 CB VAL A 79 13.411 17.764 -8.231 1.00 25.00 C ATOM 1236 CG1 VAL A 79 12.450 18.864 -8.707 1.00 25.00 C ATOM 1237 CG2 VAL A 79 13.551 17.819 -6.691 1.00 25.00 C ATOM 0 H VAL A 79 11.334 16.641 -7.369 1.00 25.00 H new ATOM 0 HA VAL A 79 12.763 16.435 -9.794 1.00 25.00 H new ATOM 0 HB VAL A 79 14.399 17.928 -8.662 1.00 25.00 H new ATOM 0 HG11 VAL A 79 12.809 19.834 -8.363 1.00 25.00 H new ATOM 0 HG12 VAL A 79 12.403 18.859 -9.796 1.00 25.00 H new ATOM 0 HG13 VAL A 79 11.456 18.680 -8.300 1.00 25.00 H new ATOM 0 HG21 VAL A 79 13.903 18.806 -6.393 1.00 25.00 H new ATOM 0 HG22 VAL A 79 12.582 17.625 -6.230 1.00 25.00 H new ATOM 0 HG23 VAL A 79 14.266 17.064 -6.363 1.00 25.00 H new ATOM 1247 N THR A 80 14.875 15.111 -9.316 1.00 25.00 N ATOM 1248 CA THR A 80 15.917 14.104 -9.171 1.00 25.00 C ATOM 1249 C THR A 80 17.168 14.619 -9.876 1.00 25.00 C ATOM 1250 O THR A 80 17.076 15.390 -10.832 1.00 25.00 O ATOM 1251 CB THR A 80 15.494 12.769 -9.838 1.00 25.00 C ATOM 1252 OG1 THR A 80 14.422 13.017 -10.753 1.00 25.00 O ATOM 1253 CG2 THR A 80 14.990 11.775 -8.803 1.00 25.00 C ATOM 0 H THR A 80 14.932 15.647 -10.182 1.00 25.00 H new ATOM 0 HA THR A 80 16.097 13.924 -8.111 1.00 25.00 H new ATOM 0 HB THR A 80 16.366 12.358 -10.347 1.00 25.00 H new ATOM 0 HG1 THR A 80 14.153 12.176 -11.178 1.00 25.00 H new ATOM 0 HG21 THR A 80 14.701 10.849 -9.299 1.00 25.00 H new ATOM 0 HG22 THR A 80 15.781 11.569 -8.082 1.00 25.00 H new ATOM 0 HG23 THR A 80 14.127 12.194 -8.286 1.00 25.00 H new ATOM 1261 N ASP A 81 18.336 14.203 -9.392 1.00 25.00 N ATOM 1262 CA ASP A 81 19.640 14.592 -9.960 1.00 25.00 C ATOM 1263 C ASP A 81 20.603 13.410 -10.104 1.00 25.00 C ATOM 1264 O ASP A 81 21.437 13.325 -10.977 1.00 25.00 O ATOM 1265 CB ASP A 81 20.310 15.720 -9.141 1.00 25.00 C ATOM 1266 CG ASP A 81 20.859 15.205 -7.837 1.00 25.00 C ATOM 1267 OD1 ASP A 81 20.104 14.677 -7.046 1.00 25.00 O ATOM 1268 OD2 ASP A 81 22.050 15.316 -7.628 1.00 25.00 O ATOM 1269 OXT ASP A 81 20.425 12.447 -9.256 1.00 25.00 O ATOM 0 H ASP A 81 18.413 13.581 -8.587 1.00 25.00 H new ATOM 0 HA ASP A 81 19.423 14.966 -10.961 1.00 25.00 H new ATOM 0 HB2 ASP A 81 21.115 16.166 -9.725 1.00 25.00 H new ATOM 0 HB3 ASP A 81 19.584 16.509 -8.945 1.00 25.00 H new TER 1275 ASP A 81