USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 680 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -148:sc= -1.25! USER MOD Single : A 9 SER OG : rot -39:sc= 1.88 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -16! C(o=-16!,f=-20!) USER MOD Single : A 21 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 65:sc= 1.08 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0462 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0555 USER MOD Single : A 57 THR OG1 : rot 0:sc= -4.26! USER MOD Single : A 58 THR OG1 : rot 178:sc= -5.42! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 94:sc= -1.98! USER MOD Single : A 72 ASN : amide:sc= -0.297 K(o=-0.3,f=-3.3!) USER MOD Single : A 73 TYR OH : rot 110:sc= -1.25 USER MOD Single : A 74 LYS NZ :NH3+ -162:sc= -0.0209 (180deg=-0.297) USER MOD Single : A 76 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.099) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -5.79 K(o=-5.8,f=-13!) USER MOD Single : A 93 GLN : amide:sc=-0.00967 X(o=-0.0097,f=0) USER MOD ----------------------------------------------------------------- ATOM 22 N LYS A 2 18.828 -0.491 3.050 1.00 0.00 N ATOM 23 CA LYS A 2 18.057 -1.688 2.610 1.00 0.00 C ATOM 24 C LYS A 2 16.862 -1.892 3.542 1.00 0.00 C ATOM 25 O LYS A 2 17.017 -1.914 4.747 1.00 0.00 O ATOM 26 CB LYS A 2 18.963 -2.918 2.671 1.00 0.00 C ATOM 27 CG LYS A 2 19.988 -2.854 1.538 1.00 0.00 C ATOM 28 CD LYS A 2 21.359 -3.281 2.065 1.00 0.00 C ATOM 29 CE LYS A 2 22.422 -3.008 1.000 1.00 0.00 C ATOM 30 NZ LYS A 2 23.528 -2.207 1.596 1.00 0.00 N ATOM 0 HA LYS A 2 17.702 -1.543 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 2 19.472 -2.960 3.634 1.00 0.00 H new ATOM 0 HB3 LYS A 2 18.367 -3.826 2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.682 -3.506 0.720 1.00 0.00 H new ATOM 0 HG3 LYS A 2 20.040 -1.842 1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.595 -2.735 2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 2 21.348 -4.341 2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 2 22.810 -3.948 0.609 1.00 0.00 H new ATOM 0 HE3 LYS A 2 21.981 -2.471 0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 24.251 -2.021 0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 23.152 -1.304 1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 23.954 -2.736 2.383 1.00 0.00 H new ATOM 44 N PRO A 3 15.699 -2.019 2.957 1.00 0.00 N ATOM 45 CA PRO A 3 14.596 -1.071 3.176 1.00 0.00 C ATOM 46 C PRO A 3 13.981 -1.305 4.556 1.00 0.00 C ATOM 47 O PRO A 3 13.680 -2.421 4.929 1.00 0.00 O ATOM 48 CB PRO A 3 13.607 -1.397 2.054 1.00 0.00 C ATOM 49 CG PRO A 3 13.922 -2.841 1.604 1.00 0.00 C ATOM 50 CD PRO A 3 15.375 -3.126 2.037 1.00 0.00 C ATOM 0 HA PRO A 3 14.905 -0.026 3.155 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.579 -1.315 2.406 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.716 -0.699 1.224 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.234 -3.550 2.064 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.811 -2.944 0.525 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.461 -4.094 2.531 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.050 -3.144 1.181 1.00 0.00 H new ATOM 58 N LYS A 4 13.808 -0.266 5.325 1.00 0.00 N ATOM 59 CA LYS A 4 13.231 -0.444 6.687 1.00 0.00 C ATOM 60 C LYS A 4 11.743 -0.098 6.677 1.00 0.00 C ATOM 61 O LYS A 4 11.347 0.968 7.103 1.00 0.00 O ATOM 62 CB LYS A 4 13.959 0.473 7.671 1.00 0.00 C ATOM 63 CG LYS A 4 14.612 -0.371 8.769 1.00 0.00 C ATOM 64 CD LYS A 4 14.690 0.444 10.061 1.00 0.00 C ATOM 65 CE LYS A 4 15.139 -0.461 11.210 1.00 0.00 C ATOM 66 NZ LYS A 4 15.800 0.364 12.261 1.00 0.00 N ATOM 0 H LYS A 4 14.040 0.694 5.071 1.00 0.00 H new ATOM 0 HA LYS A 4 13.353 -1.483 6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.716 1.057 7.148 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.257 1.182 8.111 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.035 -1.281 8.935 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.611 -0.679 8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.390 1.270 9.940 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.717 0.881 10.287 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.281 -0.986 11.630 1.00 0.00 H new ATOM 0 HE3 LYS A 4 15.828 -1.220 10.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.106 -0.250 13.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 16.627 0.846 11.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.128 1.073 12.620 1.00 0.00 H new ATOM 80 N ILE A 5 10.916 -0.996 6.207 1.00 0.00 N ATOM 81 CA ILE A 5 9.450 -0.723 6.184 1.00 0.00 C ATOM 82 C ILE A 5 8.863 -1.052 7.558 1.00 0.00 C ATOM 83 O ILE A 5 9.026 -2.143 8.067 1.00 0.00 O ATOM 84 CB ILE A 5 8.784 -1.579 5.100 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.391 -1.021 4.801 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.660 -3.026 5.581 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.193 -0.917 3.288 1.00 0.00 C ATOM 0 H ILE A 5 11.193 -1.906 5.839 1.00 0.00 H new ATOM 0 HA ILE A 5 9.269 0.328 5.957 1.00 0.00 H new ATOM 0 HB ILE A 5 9.393 -1.554 4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.628 -1.668 5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.275 -0.040 5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.186 -3.628 4.806 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.652 -3.425 5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.054 -3.058 6.486 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.200 -0.519 3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.947 -0.252 2.867 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.290 -1.906 2.839 1.00 0.00 H new ATOM 99 N LEU A 6 8.198 -0.110 8.173 1.00 0.00 N ATOM 100 CA LEU A 6 7.626 -0.371 9.524 1.00 0.00 C ATOM 101 C LEU A 6 6.109 -0.168 9.516 1.00 0.00 C ATOM 102 O LEU A 6 5.451 -0.408 10.509 1.00 0.00 O ATOM 103 CB LEU A 6 8.259 0.587 10.534 1.00 0.00 C ATOM 104 CG LEU A 6 9.388 -0.129 11.278 1.00 0.00 C ATOM 105 CD1 LEU A 6 10.736 0.440 10.833 1.00 0.00 C ATOM 106 CD2 LEU A 6 9.217 0.080 12.784 1.00 0.00 C ATOM 0 H LEU A 6 8.027 0.824 7.800 1.00 0.00 H new ATOM 0 HA LEU A 6 7.840 -1.403 9.802 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.647 1.467 10.022 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.507 0.936 11.241 1.00 0.00 H new ATOM 0 HG LEU A 6 9.353 -1.195 11.052 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.540 -0.071 11.364 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.858 0.291 9.760 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.773 1.506 11.058 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.021 -0.430 13.316 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.251 1.146 13.010 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.257 -0.327 13.101 1.00 0.00 H new ATOM 118 N THR A 7 5.546 0.275 8.417 1.00 0.00 N ATOM 119 CA THR A 7 4.065 0.486 8.368 1.00 0.00 C ATOM 120 C THR A 7 3.359 -0.631 9.142 1.00 0.00 C ATOM 121 O THR A 7 3.611 -1.801 8.932 1.00 0.00 O ATOM 122 CB THR A 7 3.591 0.466 6.915 1.00 0.00 C ATOM 123 OG1 THR A 7 2.217 0.106 6.873 1.00 0.00 O ATOM 124 CG2 THR A 7 4.412 -0.554 6.130 1.00 0.00 C ATOM 0 H THR A 7 6.045 0.498 7.556 1.00 0.00 H new ATOM 0 HA THR A 7 3.827 1.450 8.818 1.00 0.00 H new ATOM 0 HB THR A 7 3.720 1.454 6.473 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.032 -0.382 6.044 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.076 -0.571 5.093 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.466 -0.278 6.166 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.281 -1.543 6.570 1.00 0.00 H new ATOM 132 N ALA A 8 2.486 -0.277 10.042 1.00 0.00 N ATOM 133 CA ALA A 8 1.768 -1.311 10.841 1.00 0.00 C ATOM 134 C ALA A 8 1.272 -2.424 9.926 1.00 0.00 C ATOM 135 O ALA A 8 1.521 -3.592 10.149 1.00 0.00 O ATOM 136 CB ALA A 8 0.578 -0.669 11.557 1.00 0.00 C ATOM 0 H ALA A 8 2.237 0.688 10.260 1.00 0.00 H new ATOM 0 HA ALA A 8 2.453 -1.732 11.577 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.053 -1.425 12.141 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.934 0.119 12.220 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.103 -0.243 10.820 1.00 0.00 H new ATOM 142 N SER A 9 0.570 -2.064 8.901 1.00 0.00 N ATOM 143 CA SER A 9 0.042 -3.087 7.956 1.00 0.00 C ATOM 144 C SER A 9 -0.897 -4.038 8.704 1.00 0.00 C ATOM 145 O SER A 9 -0.512 -4.686 9.656 1.00 0.00 O ATOM 146 CB SER A 9 1.208 -3.878 7.363 1.00 0.00 C ATOM 147 OG SER A 9 1.348 -5.108 8.063 1.00 0.00 O ATOM 0 H SER A 9 0.334 -1.099 8.670 1.00 0.00 H new ATOM 0 HA SER A 9 -0.508 -2.594 7.154 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.032 -4.067 6.304 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.129 -3.299 7.435 1.00 0.00 H new ATOM 0 HG SER A 9 1.182 -4.962 9.018 1.00 0.00 H new ATOM 153 N ARG A 10 -2.127 -4.122 8.277 1.00 0.00 N ATOM 154 CA ARG A 10 -3.097 -5.026 8.957 1.00 0.00 C ATOM 155 C ARG A 10 -4.374 -5.104 8.127 1.00 0.00 C ATOM 156 O ARG A 10 -4.547 -5.984 7.308 1.00 0.00 O ATOM 157 CB ARG A 10 -3.421 -4.476 10.348 1.00 0.00 C ATOM 158 CG ARG A 10 -2.790 -5.377 11.412 1.00 0.00 C ATOM 159 CD ARG A 10 -2.338 -4.525 12.600 1.00 0.00 C ATOM 160 NE ARG A 10 -3.504 -4.251 13.487 1.00 0.00 N ATOM 161 CZ ARG A 10 -3.865 -5.131 14.381 1.00 0.00 C ATOM 162 NH1 ARG A 10 -3.006 -5.549 15.270 1.00 0.00 N ATOM 163 NH2 ARG A 10 -5.086 -5.591 14.387 1.00 0.00 N ATOM 0 H ARG A 10 -2.503 -3.602 7.484 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.664 -6.021 9.057 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.042 -3.459 10.446 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.501 -4.429 10.490 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.509 -6.127 11.741 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.940 -5.914 10.991 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.558 -5.043 13.157 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.908 -3.588 12.246 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.020 -3.376 13.395 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.052 -5.188 15.267 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.289 -6.237 15.968 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.758 -5.263 13.693 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.368 -6.279 15.085 1.00 0.00 H new ATOM 177 N LYS A 11 -5.261 -4.182 8.331 1.00 0.00 N ATOM 178 CA LYS A 11 -6.533 -4.176 7.554 1.00 0.00 C ATOM 179 C LYS A 11 -6.976 -2.733 7.312 1.00 0.00 C ATOM 180 O LYS A 11 -6.345 -1.796 7.757 1.00 0.00 O ATOM 181 CB LYS A 11 -7.625 -4.918 8.327 1.00 0.00 C ATOM 182 CG LYS A 11 -7.707 -4.371 9.754 1.00 0.00 C ATOM 183 CD LYS A 11 -8.290 -5.442 10.678 1.00 0.00 C ATOM 184 CE LYS A 11 -8.328 -4.915 12.113 1.00 0.00 C ATOM 185 NZ LYS A 11 -9.074 -5.876 12.974 1.00 0.00 N ATOM 0 H LYS A 11 -5.164 -3.424 9.007 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.368 -4.676 6.600 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.585 -4.798 7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.408 -5.986 8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.716 -4.077 10.100 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.330 -3.477 9.777 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.295 -5.711 10.352 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.686 -6.348 10.628 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.314 -4.783 12.491 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.808 -3.937 12.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.101 -5.519 13.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.045 -5.980 12.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.597 -6.800 12.956 1.00 0.00 H new ATOM 199 N ILE A 12 -8.058 -2.552 6.608 1.00 0.00 N ATOM 200 CA ILE A 12 -8.550 -1.176 6.328 1.00 0.00 C ATOM 201 C ILE A 12 -10.055 -1.231 6.058 1.00 0.00 C ATOM 202 O ILE A 12 -10.489 -1.387 4.934 1.00 0.00 O ATOM 203 CB ILE A 12 -7.829 -0.622 5.097 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.358 -0.372 5.434 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.478 0.694 4.671 1.00 0.00 C ATOM 206 CD1 ILE A 12 -6.261 0.693 6.529 1.00 0.00 C ATOM 0 H ILE A 12 -8.625 -3.302 6.213 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.354 -0.530 7.184 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.901 -1.344 4.284 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.888 -1.297 5.768 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.820 -0.045 4.544 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.963 1.087 3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.527 0.521 4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.408 1.415 5.486 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.213 0.872 6.770 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.716 1.619 6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.785 0.347 7.420 1.00 0.00 H new ATOM 218 N LYS A 13 -10.855 -1.113 7.082 1.00 0.00 N ATOM 219 CA LYS A 13 -12.331 -1.169 6.884 1.00 0.00 C ATOM 220 C LYS A 13 -12.814 0.129 6.233 1.00 0.00 C ATOM 221 O LYS A 13 -13.282 1.031 6.898 1.00 0.00 O ATOM 222 CB LYS A 13 -13.021 -1.345 8.238 1.00 0.00 C ATOM 223 CG LYS A 13 -14.533 -1.192 8.062 1.00 0.00 C ATOM 224 CD LYS A 13 -15.035 -0.041 8.936 1.00 0.00 C ATOM 225 CE LYS A 13 -15.813 -0.606 10.126 1.00 0.00 C ATOM 226 NZ LYS A 13 -17.273 -0.562 9.831 1.00 0.00 N ATOM 0 H LYS A 13 -10.551 -0.980 8.046 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.576 -2.011 6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.789 -2.327 8.652 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.650 -0.605 8.947 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -14.770 -0.998 7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.037 -2.118 8.337 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.194 0.556 9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.674 0.622 8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.502 -1.632 10.324 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.595 -0.028 11.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.802 -0.946 10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.564 0.422 9.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.473 -1.132 8.984 1.00 0.00 H new ATOM 240 N ILE A 14 -12.711 0.227 4.937 1.00 0.00 N ATOM 241 CA ILE A 14 -13.171 1.462 4.244 1.00 0.00 C ATOM 242 C ILE A 14 -14.672 1.347 3.962 1.00 0.00 C ATOM 243 O ILE A 14 -15.247 0.280 4.038 1.00 0.00 O ATOM 244 CB ILE A 14 -12.404 1.626 2.927 1.00 0.00 C ATOM 245 CG1 ILE A 14 -10.930 1.274 3.152 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.516 3.073 2.442 1.00 0.00 C ATOM 247 CD1 ILE A 14 -10.119 1.606 1.896 1.00 0.00 C ATOM 0 H ILE A 14 -12.328 -0.496 4.327 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.985 2.332 4.874 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.828 0.961 2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.540 1.830 4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.832 0.215 3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.970 3.186 1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.565 3.323 2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.093 3.742 3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.072 1.354 2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.502 1.031 1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.206 2.670 1.678 1.00 0.00 H new ATOM 259 N LYS A 15 -15.316 2.434 3.640 1.00 0.00 N ATOM 260 CA LYS A 15 -16.776 2.374 3.355 1.00 0.00 C ATOM 261 C LYS A 15 -16.988 2.325 1.841 1.00 0.00 C ATOM 262 O LYS A 15 -16.064 2.495 1.071 1.00 0.00 O ATOM 263 CB LYS A 15 -17.460 3.616 3.926 1.00 0.00 C ATOM 264 CG LYS A 15 -18.451 3.205 5.016 1.00 0.00 C ATOM 265 CD LYS A 15 -19.875 3.525 4.556 1.00 0.00 C ATOM 266 CE LYS A 15 -20.845 2.498 5.141 1.00 0.00 C ATOM 267 NZ LYS A 15 -21.082 2.802 6.580 1.00 0.00 N ATOM 0 H LYS A 15 -14.895 3.360 3.562 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.204 1.484 3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.714 4.297 4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.980 4.154 3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.356 2.140 5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.229 3.734 5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -20.155 4.529 4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -19.928 3.512 3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -21.787 2.519 4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -20.436 1.493 5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -21.742 2.104 6.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -20.180 2.760 7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -21.490 3.754 6.671 1.00 0.00 H new ATOM 281 N ALA A 16 -18.195 2.093 1.404 1.00 0.00 N ATOM 282 CA ALA A 16 -18.452 2.035 -0.062 1.00 0.00 C ATOM 283 C ALA A 16 -18.595 3.459 -0.611 1.00 0.00 C ATOM 284 O ALA A 16 -18.999 4.361 0.092 1.00 0.00 O ATOM 285 CB ALA A 16 -19.739 1.251 -0.324 1.00 0.00 C ATOM 0 H ALA A 16 -19.012 1.942 1.996 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.619 1.537 -0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.927 1.209 -1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.634 0.239 0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.574 1.746 0.171 1.00 0.00 H new ATOM 291 N GLY A 17 -18.267 3.670 -1.860 1.00 0.00 N ATOM 292 CA GLY A 17 -18.381 5.036 -2.446 1.00 0.00 C ATOM 293 C GLY A 17 -17.791 6.061 -1.476 1.00 0.00 C ATOM 294 O GLY A 17 -18.201 7.204 -1.442 1.00 0.00 O ATOM 0 H GLY A 17 -17.925 2.953 -2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.855 5.079 -3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.426 5.270 -2.647 1.00 0.00 H new ATOM 298 N PHE A 18 -16.841 5.658 -0.675 1.00 0.00 N ATOM 299 CA PHE A 18 -16.235 6.610 0.306 1.00 0.00 C ATOM 300 C PHE A 18 -14.806 6.968 -0.105 1.00 0.00 C ATOM 301 O PHE A 18 -14.350 6.633 -1.181 1.00 0.00 O ATOM 302 CB PHE A 18 -16.200 5.965 1.693 1.00 0.00 C ATOM 303 CG PHE A 18 -17.479 6.279 2.425 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.667 6.427 1.708 1.00 0.00 C ATOM 305 CD2 PHE A 18 -17.478 6.412 3.817 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.862 6.710 2.381 1.00 0.00 C ATOM 307 CE2 PHE A 18 -18.671 6.693 4.493 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.863 6.844 3.775 1.00 0.00 C ATOM 0 H PHE A 18 -16.458 4.713 -0.656 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.841 7.516 0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.077 4.886 1.601 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.345 6.337 2.257 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.665 6.323 0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -16.557 6.298 4.370 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.781 6.825 1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -18.672 6.793 5.568 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.783 7.064 4.296 1.00 0.00 H new ATOM 318 N THR A 19 -14.097 7.648 0.759 1.00 0.00 N ATOM 319 CA THR A 19 -12.694 8.037 0.444 1.00 0.00 C ATOM 320 C THR A 19 -11.765 7.534 1.554 1.00 0.00 C ATOM 321 O THR A 19 -12.105 7.564 2.720 1.00 0.00 O ATOM 322 CB THR A 19 -12.597 9.561 0.347 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.956 10.138 1.594 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.545 10.065 -0.743 1.00 0.00 C ATOM 0 H THR A 19 -14.433 7.951 1.673 1.00 0.00 H new ATOM 0 HA THR A 19 -12.397 7.594 -0.507 1.00 0.00 H new ATOM 0 HB THR A 19 -11.575 9.845 0.097 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.892 11.114 1.533 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.476 11.151 -0.812 1.00 0.00 H new ATOM 0 HG22 THR A 19 -13.268 9.622 -1.700 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.568 9.782 -0.495 1.00 0.00 H new ATOM 332 N HIS A 20 -10.600 7.063 1.199 1.00 0.00 N ATOM 333 CA HIS A 20 -9.654 6.547 2.234 1.00 0.00 C ATOM 334 C HIS A 20 -8.264 7.152 2.020 1.00 0.00 C ATOM 335 O HIS A 20 -7.906 7.543 0.927 1.00 0.00 O ATOM 336 CB HIS A 20 -9.552 5.029 2.099 1.00 0.00 C ATOM 337 CG HIS A 20 -9.514 4.377 3.450 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.621 4.334 4.282 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.516 3.708 4.115 1.00 0.00 C ATOM 340 CE1 HIS A 20 -10.268 3.657 5.389 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.995 3.255 5.341 1.00 0.00 N ATOM 0 H HIS A 20 -10.261 7.013 0.238 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.021 6.819 3.224 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.403 4.652 1.532 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.654 4.768 1.539 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.536 4.741 4.090 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.513 3.557 3.744 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.933 3.462 6.217 1.00 0.00 H new ATOM 349 N ASN A 21 -7.471 7.209 3.056 1.00 0.00 N ATOM 350 CA ASN A 21 -6.094 7.760 2.918 1.00 0.00 C ATOM 351 C ASN A 21 -5.108 6.746 3.500 1.00 0.00 C ATOM 352 O ASN A 21 -4.829 6.737 4.683 1.00 0.00 O ATOM 353 CB ASN A 21 -5.985 9.088 3.670 1.00 0.00 C ATOM 354 CG ASN A 21 -6.820 9.022 4.950 1.00 0.00 C ATOM 355 OD1 ASN A 21 -6.342 8.590 5.980 1.00 0.00 O ATOM 356 ND2 ASN A 21 -8.058 9.436 4.929 1.00 0.00 N ATOM 0 H ASN A 21 -7.719 6.896 3.995 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.867 7.940 1.867 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.943 9.295 3.914 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.333 9.905 3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.623 9.397 5.777 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.460 9.799 4.065 1.00 0.00 H new ATOM 363 N LEU A 22 -4.602 5.875 2.674 1.00 0.00 N ATOM 364 CA LEU A 22 -3.657 4.831 3.152 1.00 0.00 C ATOM 365 C LEU A 22 -2.259 5.418 3.356 1.00 0.00 C ATOM 366 O LEU A 22 -1.737 6.119 2.510 1.00 0.00 O ATOM 367 CB LEU A 22 -3.599 3.739 2.094 1.00 0.00 C ATOM 368 CG LEU A 22 -2.627 2.641 2.512 1.00 0.00 C ATOM 369 CD1 LEU A 22 -3.098 1.323 1.907 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.222 2.959 1.991 1.00 0.00 C ATOM 0 H LEU A 22 -4.806 5.842 1.675 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.999 4.433 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.592 3.316 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.287 4.165 1.140 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.596 2.573 3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.414 0.525 2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.099 1.092 2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.118 1.408 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.534 2.170 2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.243 3.024 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.887 3.910 2.404 1.00 0.00 H new ATOM 382 N GLU A 23 -1.644 5.119 4.471 1.00 0.00 N ATOM 383 CA GLU A 23 -0.275 5.641 4.738 1.00 0.00 C ATOM 384 C GLU A 23 0.675 4.472 5.021 1.00 0.00 C ATOM 385 O GLU A 23 0.266 3.419 5.470 1.00 0.00 O ATOM 386 CB GLU A 23 -0.311 6.569 5.954 1.00 0.00 C ATOM 387 CG GLU A 23 -1.287 6.010 6.992 1.00 0.00 C ATOM 388 CD GLU A 23 -0.812 6.389 8.396 1.00 0.00 C ATOM 389 OE1 GLU A 23 -0.014 5.650 8.950 1.00 0.00 O ATOM 390 OE2 GLU A 23 -1.254 7.411 8.894 1.00 0.00 O ATOM 0 H GLU A 23 -2.034 4.533 5.209 1.00 0.00 H new ATOM 0 HA GLU A 23 0.077 6.193 3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.685 6.658 6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.618 7.570 5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.287 6.405 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.352 4.926 6.899 1.00 0.00 H new ATOM 397 N VAL A 24 1.941 4.654 4.763 1.00 0.00 N ATOM 398 CA VAL A 24 2.932 3.566 5.015 1.00 0.00 C ATOM 399 C VAL A 24 4.328 4.189 5.102 1.00 0.00 C ATOM 400 O VAL A 24 4.560 5.273 4.605 1.00 0.00 O ATOM 401 CB VAL A 24 2.875 2.547 3.868 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.192 1.768 3.784 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.729 1.567 4.120 1.00 0.00 C ATOM 0 H VAL A 24 2.336 5.516 4.386 1.00 0.00 H new ATOM 0 HA VAL A 24 2.703 3.053 5.949 1.00 0.00 H new ATOM 0 HB VAL A 24 2.714 3.078 2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.138 1.049 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.014 2.461 3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.362 1.239 4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.685 0.842 3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.896 1.046 5.063 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.787 2.113 4.170 1.00 0.00 H new ATOM 413 N ASP A 25 5.260 3.523 5.732 1.00 0.00 N ATOM 414 CA ASP A 25 6.627 4.103 5.844 1.00 0.00 C ATOM 415 C ASP A 25 7.689 3.021 5.668 1.00 0.00 C ATOM 416 O ASP A 25 7.537 1.903 6.120 1.00 0.00 O ATOM 417 CB ASP A 25 6.790 4.757 7.218 1.00 0.00 C ATOM 418 CG ASP A 25 8.089 5.563 7.249 1.00 0.00 C ATOM 419 OD1 ASP A 25 9.139 4.953 7.363 1.00 0.00 O ATOM 420 OD2 ASP A 25 8.011 6.777 7.158 1.00 0.00 O ATOM 0 H ASP A 25 5.134 2.610 6.170 1.00 0.00 H new ATOM 0 HA ASP A 25 6.755 4.848 5.059 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.941 5.408 7.426 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.804 3.994 7.996 1.00 0.00 H new ATOM 425 N PHE A 26 8.778 3.355 5.025 1.00 0.00 N ATOM 426 CA PHE A 26 9.862 2.354 4.833 1.00 0.00 C ATOM 427 C PHE A 26 11.112 3.048 4.300 1.00 0.00 C ATOM 428 O PHE A 26 11.087 3.707 3.282 1.00 0.00 O ATOM 429 CB PHE A 26 9.404 1.258 3.865 1.00 0.00 C ATOM 430 CG PHE A 26 9.417 1.766 2.445 1.00 0.00 C ATOM 431 CD1 PHE A 26 8.274 2.375 1.915 1.00 0.00 C ATOM 432 CD2 PHE A 26 10.561 1.613 1.654 1.00 0.00 C ATOM 433 CE1 PHE A 26 8.275 2.834 0.594 1.00 0.00 C ATOM 434 CE2 PHE A 26 10.563 2.074 0.332 1.00 0.00 C ATOM 435 CZ PHE A 26 9.420 2.685 -0.198 1.00 0.00 C ATOM 0 H PHE A 26 8.961 4.276 4.627 1.00 0.00 H new ATOM 0 HA PHE A 26 10.096 1.890 5.791 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.058 0.391 3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.400 0.928 4.130 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.391 2.491 2.526 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.442 1.140 2.063 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.393 3.303 0.185 1.00 0.00 H new ATOM 0 HE2 PHE A 26 11.446 1.958 -0.279 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.422 3.041 -1.218 1.00 0.00 H new ATOM 445 N ILE A 27 12.207 2.910 4.996 1.00 0.00 N ATOM 446 CA ILE A 27 13.465 3.572 4.548 1.00 0.00 C ATOM 447 C ILE A 27 14.097 2.755 3.422 1.00 0.00 C ATOM 448 O ILE A 27 13.755 1.611 3.206 1.00 0.00 O ATOM 449 CB ILE A 27 14.440 3.664 5.730 1.00 0.00 C ATOM 450 CG1 ILE A 27 14.011 4.797 6.669 1.00 0.00 C ATOM 451 CG2 ILE A 27 15.854 3.949 5.217 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.500 4.740 6.899 1.00 0.00 C ATOM 0 H ILE A 27 12.285 2.367 5.856 1.00 0.00 H new ATOM 0 HA ILE A 27 13.242 4.575 4.184 1.00 0.00 H new ATOM 0 HB ILE A 27 14.431 2.717 6.269 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.536 4.711 7.620 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.286 5.760 6.240 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.541 4.013 6.061 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.169 3.144 4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 27 15.860 4.893 4.672 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.203 5.548 7.567 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.983 4.849 5.946 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.236 3.782 7.348 1.00 0.00 H new ATOM 464 N GLY A 28 15.016 3.343 2.705 1.00 0.00 N ATOM 465 CA GLY A 28 15.680 2.614 1.587 1.00 0.00 C ATOM 466 C GLY A 28 16.468 3.609 0.731 1.00 0.00 C ATOM 467 O GLY A 28 16.082 4.750 0.578 1.00 0.00 O ATOM 0 H GLY A 28 15.337 4.301 2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.348 1.849 1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.935 2.103 0.978 1.00 0.00 H new ATOM 471 N ALA A 29 17.569 3.187 0.172 1.00 0.00 N ATOM 472 CA ALA A 29 18.377 4.112 -0.673 1.00 0.00 C ATOM 473 C ALA A 29 19.526 3.331 -1.321 1.00 0.00 C ATOM 474 O ALA A 29 19.709 2.163 -1.039 1.00 0.00 O ATOM 475 CB ALA A 29 18.928 5.241 0.197 1.00 0.00 C ATOM 0 H ALA A 29 17.944 2.243 0.264 1.00 0.00 H new ATOM 0 HA ALA A 29 17.753 4.542 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 29 19.519 5.919 -0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 29 18.101 5.789 0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 29 19.557 4.821 0.982 1.00 0.00 H new ATOM 481 N PRO A 30 20.251 3.986 -2.196 1.00 0.00 N ATOM 482 CA PRO A 30 20.032 5.407 -2.541 1.00 0.00 C ATOM 483 C PRO A 30 18.756 5.586 -3.365 1.00 0.00 C ATOM 484 O PRO A 30 18.417 6.682 -3.767 1.00 0.00 O ATOM 485 CB PRO A 30 21.279 5.778 -3.351 1.00 0.00 C ATOM 486 CG PRO A 30 21.861 4.452 -3.886 1.00 0.00 C ATOM 487 CD PRO A 30 21.349 3.345 -2.948 1.00 0.00 C ATOM 0 HA PRO A 30 19.898 6.040 -1.664 1.00 0.00 H new ATOM 0 HB2 PRO A 30 21.024 6.449 -4.171 1.00 0.00 H new ATOM 0 HB3 PRO A 30 22.006 6.298 -2.728 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.539 4.272 -4.912 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.951 4.481 -3.894 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.995 2.480 -3.509 1.00 0.00 H new ATOM 0 HD3 PRO A 30 22.136 2.993 -2.281 1.00 0.00 H new ATOM 495 N ASP A 31 18.038 4.528 -3.611 1.00 0.00 N ATOM 496 CA ASP A 31 16.782 4.658 -4.395 1.00 0.00 C ATOM 497 C ASP A 31 15.983 3.354 -4.305 1.00 0.00 C ATOM 498 O ASP A 31 16.136 2.477 -5.132 1.00 0.00 O ATOM 499 CB ASP A 31 17.119 4.953 -5.858 1.00 0.00 C ATOM 500 CG ASP A 31 16.916 6.443 -6.138 1.00 0.00 C ATOM 501 OD1 ASP A 31 16.405 7.126 -5.266 1.00 0.00 O ATOM 502 OD2 ASP A 31 17.275 6.877 -7.221 1.00 0.00 O ATOM 0 H ASP A 31 18.266 3.582 -3.304 1.00 0.00 H new ATOM 0 HA ASP A 31 16.186 5.476 -3.989 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.150 4.670 -6.069 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.484 4.359 -6.515 1.00 0.00 H new ATOM 507 N PRO A 32 15.151 3.269 -3.299 1.00 0.00 N ATOM 508 CA PRO A 32 14.306 2.085 -3.065 1.00 0.00 C ATOM 509 C PRO A 32 13.098 2.104 -4.005 1.00 0.00 C ATOM 510 O PRO A 32 12.863 3.066 -4.709 1.00 0.00 O ATOM 511 CB PRO A 32 13.860 2.245 -1.610 1.00 0.00 C ATOM 512 CG PRO A 32 13.988 3.751 -1.278 1.00 0.00 C ATOM 513 CD PRO A 32 14.975 4.344 -2.301 1.00 0.00 C ATOM 0 HA PRO A 32 14.825 1.144 -3.247 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.833 1.904 -1.479 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.482 1.646 -0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.019 4.246 -1.343 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.352 3.894 -0.261 1.00 0.00 H new ATOM 0 HD2 PRO A 32 14.578 5.251 -2.758 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.922 4.611 -1.832 1.00 0.00 H new ATOM 521 N THR A 33 12.328 1.051 -4.022 1.00 0.00 N ATOM 522 CA THR A 33 11.138 1.019 -4.916 1.00 0.00 C ATOM 523 C THR A 33 9.968 0.358 -4.186 1.00 0.00 C ATOM 524 O THR A 33 10.002 -0.815 -3.876 1.00 0.00 O ATOM 525 CB THR A 33 11.466 0.221 -6.179 1.00 0.00 C ATOM 526 OG1 THR A 33 12.412 0.939 -6.958 1.00 0.00 O ATOM 527 CG2 THR A 33 10.189 0.006 -6.991 1.00 0.00 C ATOM 0 H THR A 33 12.471 0.214 -3.457 1.00 0.00 H new ATOM 0 HA THR A 33 10.866 2.038 -5.192 1.00 0.00 H new ATOM 0 HB THR A 33 11.885 -0.746 -5.902 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.625 0.428 -7.767 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.422 -0.563 -7.891 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.465 -0.545 -6.391 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.769 0.972 -7.271 1.00 0.00 H new ATOM 535 N ALA A 34 8.930 1.103 -3.914 1.00 0.00 N ATOM 536 CA ALA A 34 7.756 0.516 -3.207 1.00 0.00 C ATOM 537 C ALA A 34 6.654 0.214 -4.224 1.00 0.00 C ATOM 538 O ALA A 34 6.193 1.088 -4.931 1.00 0.00 O ATOM 539 CB ALA A 34 7.239 1.506 -2.162 1.00 0.00 C ATOM 0 H ALA A 34 8.845 2.091 -4.151 1.00 0.00 H new ATOM 0 HA ALA A 34 8.052 -0.407 -2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.381 1.075 -1.646 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.028 1.718 -1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.940 2.431 -2.654 1.00 0.00 H new ATOM 545 N THR A 35 6.236 -1.019 -4.311 1.00 0.00 N ATOM 546 CA THR A 35 5.172 -1.375 -5.291 1.00 0.00 C ATOM 547 C THR A 35 3.858 -1.655 -4.558 1.00 0.00 C ATOM 548 O THR A 35 3.763 -2.560 -3.753 1.00 0.00 O ATOM 549 CB THR A 35 5.596 -2.623 -6.070 1.00 0.00 C ATOM 550 OG1 THR A 35 6.723 -2.313 -6.878 1.00 0.00 O ATOM 551 CG2 THR A 35 4.442 -3.090 -6.957 1.00 0.00 C ATOM 0 H THR A 35 6.585 -1.794 -3.747 1.00 0.00 H new ATOM 0 HA THR A 35 5.027 -0.543 -5.980 1.00 0.00 H new ATOM 0 HB THR A 35 5.857 -3.418 -5.371 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.998 -3.111 -7.376 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.745 -3.978 -7.511 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.578 -3.327 -6.336 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.178 -2.298 -7.658 1.00 0.00 H new ATOM 559 N TRP A 36 2.841 -0.887 -4.841 1.00 0.00 N ATOM 560 CA TRP A 36 1.525 -1.106 -4.176 1.00 0.00 C ATOM 561 C TRP A 36 0.744 -2.180 -4.944 1.00 0.00 C ATOM 562 O TRP A 36 0.103 -1.907 -5.946 1.00 0.00 O ATOM 563 CB TRP A 36 0.738 0.205 -4.175 1.00 0.00 C ATOM 564 CG TRP A 36 1.111 1.014 -2.970 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.840 2.154 -2.995 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.789 0.769 -1.569 1.00 0.00 C ATOM 567 NE1 TRP A 36 1.974 2.627 -1.703 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.346 1.810 -0.790 1.00 0.00 C ATOM 569 CE3 TRP A 36 0.074 -0.240 -0.905 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.198 1.848 0.598 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.077 -0.204 0.490 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.482 0.837 1.239 1.00 0.00 C ATOM 0 H TRP A 36 2.865 -0.115 -5.507 1.00 0.00 H new ATOM 0 HA TRP A 36 1.678 -1.436 -3.149 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.950 0.769 -5.084 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.332 -0.002 -4.170 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.250 2.618 -3.880 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.478 3.479 -1.456 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.363 -1.049 -1.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.634 2.653 1.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.629 -0.986 0.989 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.359 0.858 2.312 1.00 0.00 H new ATOM 583 N THR A 37 0.795 -3.403 -4.487 1.00 0.00 N ATOM 584 CA THR A 37 0.059 -4.491 -5.190 1.00 0.00 C ATOM 585 C THR A 37 -1.156 -4.895 -4.356 1.00 0.00 C ATOM 586 O THR A 37 -1.306 -4.480 -3.226 1.00 0.00 O ATOM 587 CB THR A 37 0.981 -5.700 -5.372 1.00 0.00 C ATOM 588 OG1 THR A 37 2.017 -5.653 -4.401 1.00 0.00 O ATOM 589 CG2 THR A 37 1.591 -5.674 -6.774 1.00 0.00 C ATOM 0 H THR A 37 1.314 -3.694 -3.659 1.00 0.00 H new ATOM 0 HA THR A 37 -0.269 -4.139 -6.168 1.00 0.00 H new ATOM 0 HB THR A 37 0.406 -6.618 -5.247 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.631 -5.752 -3.506 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.247 -6.535 -6.901 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.795 -5.711 -7.518 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.167 -4.757 -6.903 1.00 0.00 H new ATOM 597 N VAL A 38 -2.027 -5.695 -4.902 1.00 0.00 N ATOM 598 CA VAL A 38 -3.230 -6.112 -4.130 1.00 0.00 C ATOM 599 C VAL A 38 -3.353 -7.640 -4.141 1.00 0.00 C ATOM 600 O VAL A 38 -4.071 -8.213 -4.935 1.00 0.00 O ATOM 601 CB VAL A 38 -4.475 -5.484 -4.760 1.00 0.00 C ATOM 602 CG1 VAL A 38 -4.695 -6.066 -6.154 1.00 0.00 C ATOM 603 CG2 VAL A 38 -5.692 -5.791 -3.890 1.00 0.00 C ATOM 0 H VAL A 38 -1.959 -6.077 -5.845 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.135 -5.775 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.337 -4.405 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.582 -5.617 -6.600 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.827 -5.853 -6.778 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.833 -7.145 -6.080 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.580 -5.345 -4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.825 -6.870 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.540 -5.377 -2.893 1.00 0.00 H new ATOM 650 N ALA A 43 -1.151 -8.878 -8.549 1.00 0.00 N ATOM 651 CA ALA A 43 -2.281 -7.955 -8.847 1.00 0.00 C ATOM 652 C ALA A 43 -1.844 -6.508 -8.618 1.00 0.00 C ATOM 653 O ALA A 43 -1.067 -6.216 -7.730 1.00 0.00 O ATOM 654 CB ALA A 43 -3.464 -8.270 -7.930 1.00 0.00 C ATOM 0 HA ALA A 43 -2.578 -8.087 -9.887 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.288 -7.592 -8.153 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.787 -9.298 -8.093 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.162 -8.145 -6.890 1.00 0.00 H new ATOM 660 N ALA A 44 -2.349 -5.598 -9.403 1.00 0.00 N ATOM 661 CA ALA A 44 -1.974 -4.168 -9.220 1.00 0.00 C ATOM 662 C ALA A 44 -2.865 -3.568 -8.138 1.00 0.00 C ATOM 663 O ALA A 44 -4.004 -3.959 -7.976 1.00 0.00 O ATOM 664 CB ALA A 44 -2.175 -3.402 -10.527 1.00 0.00 C ATOM 0 H ALA A 44 -3.004 -5.782 -10.163 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.926 -4.097 -8.929 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.898 -2.358 -10.383 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.549 -3.839 -11.305 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.221 -3.462 -10.827 1.00 0.00 H new ATOM 670 N LEU A 45 -2.359 -2.643 -7.375 1.00 0.00 N ATOM 671 CA LEU A 45 -3.186 -2.060 -6.291 1.00 0.00 C ATOM 672 C LEU A 45 -3.812 -0.729 -6.712 1.00 0.00 C ATOM 673 O LEU A 45 -3.216 0.072 -7.405 1.00 0.00 O ATOM 674 CB LEU A 45 -2.299 -1.821 -5.081 1.00 0.00 C ATOM 675 CG LEU A 45 -3.164 -1.586 -3.858 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.397 -2.053 -2.625 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.479 -0.093 -3.750 1.00 0.00 C ATOM 0 H LEU A 45 -1.414 -2.268 -7.456 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.991 -2.757 -6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.648 -2.680 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.654 -0.960 -5.254 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.099 -2.141 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.005 -1.891 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.168 -3.114 -2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.469 -1.488 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.101 0.085 -2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.550 0.469 -3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.011 0.232 -4.644 1.00 0.00 H new ATOM 728 N LEU A 49 -8.878 3.425 -7.390 1.00 0.00 N ATOM 729 CA LEU A 49 -8.529 4.551 -6.487 1.00 0.00 C ATOM 730 C LEU A 49 -7.209 5.187 -6.923 1.00 0.00 C ATOM 731 O LEU A 49 -6.788 5.051 -8.055 1.00 0.00 O ATOM 732 CB LEU A 49 -8.425 4.037 -5.059 1.00 0.00 C ATOM 733 CG LEU A 49 -7.611 2.758 -5.033 1.00 0.00 C ATOM 734 CD1 LEU A 49 -6.741 2.723 -3.775 1.00 0.00 C ATOM 735 CD2 LEU A 49 -8.568 1.571 -5.027 1.00 0.00 C ATOM 0 HA LEU A 49 -9.308 5.312 -6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.957 4.790 -4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.421 3.854 -4.655 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.965 2.712 -5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.158 1.802 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.067 3.579 -3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.378 2.763 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.997 0.643 -5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.206 1.622 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.187 1.598 -5.924 1.00 0.00 H new ATOM 747 N LEU A 50 -6.560 5.894 -6.041 1.00 0.00 N ATOM 748 CA LEU A 50 -5.272 6.556 -6.419 1.00 0.00 C ATOM 749 C LEU A 50 -4.127 5.974 -5.589 1.00 0.00 C ATOM 750 O LEU A 50 -4.337 5.166 -4.707 1.00 0.00 O ATOM 751 CB LEU A 50 -5.354 8.071 -6.174 1.00 0.00 C ATOM 752 CG LEU A 50 -6.798 8.489 -5.877 1.00 0.00 C ATOM 753 CD1 LEU A 50 -6.840 9.984 -5.555 1.00 0.00 C ATOM 754 CD2 LEU A 50 -7.672 8.207 -7.101 1.00 0.00 C ATOM 0 H LEU A 50 -6.861 6.044 -5.078 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.089 6.375 -7.478 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.710 8.346 -5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.986 8.607 -7.049 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.172 7.923 -5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.867 10.282 -5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.217 10.186 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.466 10.551 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.699 8.504 -6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.298 8.774 -7.954 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.642 7.142 -7.332 1.00 0.00 H new ATOM 766 N VAL A 51 -2.913 6.375 -5.866 1.00 0.00 N ATOM 767 CA VAL A 51 -1.763 5.832 -5.090 1.00 0.00 C ATOM 768 C VAL A 51 -0.590 6.819 -5.107 1.00 0.00 C ATOM 769 O VAL A 51 -0.351 7.507 -6.080 1.00 0.00 O ATOM 770 CB VAL A 51 -1.321 4.506 -5.713 1.00 0.00 C ATOM 771 CG1 VAL A 51 -0.129 3.943 -4.938 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.479 3.510 -5.654 1.00 0.00 C ATOM 0 H VAL A 51 -2.671 7.050 -6.591 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.073 5.676 -4.057 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.030 4.673 -6.750 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.182 2.999 -5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.698 4.653 -4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.416 3.776 -3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.168 2.564 -6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.766 3.347 -4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.330 3.908 -6.208 1.00 0.00 H new ATOM 782 N ASP A 52 0.148 6.878 -4.030 1.00 0.00 N ATOM 783 CA ASP A 52 1.320 7.797 -3.956 1.00 0.00 C ATOM 784 C ASP A 52 2.448 7.080 -3.208 1.00 0.00 C ATOM 785 O ASP A 52 2.211 6.146 -2.467 1.00 0.00 O ATOM 786 CB ASP A 52 0.929 9.069 -3.200 1.00 0.00 C ATOM 787 CG ASP A 52 0.583 10.172 -4.201 1.00 0.00 C ATOM 788 OD1 ASP A 52 1.361 10.379 -5.118 1.00 0.00 O ATOM 789 OD2 ASP A 52 -0.455 10.792 -4.034 1.00 0.00 O ATOM 0 H ASP A 52 -0.014 6.322 -3.190 1.00 0.00 H new ATOM 0 HA ASP A 52 1.648 8.069 -4.959 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.076 8.871 -2.551 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.750 9.390 -2.558 1.00 0.00 H new ATOM 794 N ALA A 53 3.674 7.482 -3.389 1.00 0.00 N ATOM 795 CA ALA A 53 4.763 6.771 -2.670 1.00 0.00 C ATOM 796 C ALA A 53 6.043 7.612 -2.629 1.00 0.00 C ATOM 797 O ALA A 53 6.347 8.359 -3.538 1.00 0.00 O ATOM 798 CB ALA A 53 5.031 5.446 -3.380 1.00 0.00 C ATOM 0 H ALA A 53 3.964 8.254 -3.989 1.00 0.00 H new ATOM 0 HA ALA A 53 4.452 6.593 -1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.829 4.912 -2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.125 4.840 -3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.331 5.639 -4.410 1.00 0.00 H new ATOM 804 N LYS A 54 6.794 7.484 -1.564 1.00 0.00 N ATOM 805 CA LYS A 54 8.065 8.259 -1.426 1.00 0.00 C ATOM 806 C LYS A 54 9.239 7.294 -1.199 1.00 0.00 C ATOM 807 O LYS A 54 9.067 6.169 -0.775 1.00 0.00 O ATOM 808 CB LYS A 54 7.970 9.225 -0.238 1.00 0.00 C ATOM 809 CG LYS A 54 6.502 9.485 0.118 1.00 0.00 C ATOM 810 CD LYS A 54 5.862 10.361 -0.961 1.00 0.00 C ATOM 811 CE LYS A 54 4.412 10.663 -0.578 1.00 0.00 C ATOM 812 NZ LYS A 54 4.281 12.106 -0.230 1.00 0.00 N ATOM 0 H LYS A 54 6.579 6.871 -0.778 1.00 0.00 H new ATOM 0 HA LYS A 54 8.228 8.829 -2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.492 8.807 0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.464 10.165 -0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.964 8.541 0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.434 9.977 1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.422 11.290 -1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.897 9.853 -1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.747 10.416 -1.405 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.112 10.045 0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.295 12.312 0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.905 12.328 0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.551 12.687 -1.049 1.00 0.00 H new ATOM 826 N SER A 55 10.432 7.728 -1.491 1.00 0.00 N ATOM 827 CA SER A 55 11.627 6.848 -1.321 1.00 0.00 C ATOM 828 C SER A 55 11.662 6.188 0.067 1.00 0.00 C ATOM 829 O SER A 55 11.811 4.987 0.179 1.00 0.00 O ATOM 830 CB SER A 55 12.892 7.686 -1.506 1.00 0.00 C ATOM 831 OG SER A 55 13.418 7.460 -2.807 1.00 0.00 O ATOM 0 H SER A 55 10.635 8.663 -1.844 1.00 0.00 H new ATOM 0 HA SER A 55 11.571 6.056 -2.068 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.665 8.744 -1.372 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.632 7.421 -0.751 1.00 0.00 H new ATOM 0 HG SER A 55 14.228 7.997 -2.930 1.00 0.00 H new ATOM 837 N SER A 56 11.567 6.951 1.124 1.00 0.00 N ATOM 838 CA SER A 56 11.644 6.339 2.488 1.00 0.00 C ATOM 839 C SER A 56 10.248 6.109 3.073 1.00 0.00 C ATOM 840 O SER A 56 10.088 5.941 4.268 1.00 0.00 O ATOM 841 CB SER A 56 12.426 7.272 3.412 1.00 0.00 C ATOM 842 OG SER A 56 12.471 8.572 2.837 1.00 0.00 O ATOM 0 H SER A 56 11.440 7.963 1.105 1.00 0.00 H new ATOM 0 HA SER A 56 12.145 5.375 2.404 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.953 7.312 4.393 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.437 6.892 3.561 1.00 0.00 H new ATOM 0 HG SER A 56 12.970 9.174 3.428 1.00 0.00 H new ATOM 848 N THR A 57 9.236 6.091 2.261 1.00 0.00 N ATOM 849 CA THR A 57 7.869 5.868 2.810 1.00 0.00 C ATOM 850 C THR A 57 6.893 5.764 1.653 1.00 0.00 C ATOM 851 O THR A 57 7.289 5.591 0.525 1.00 0.00 O ATOM 852 CB THR A 57 7.494 7.056 3.706 1.00 0.00 C ATOM 853 OG1 THR A 57 6.342 6.745 4.473 1.00 0.00 O ATOM 854 CG2 THR A 57 7.208 8.277 2.838 1.00 0.00 C ATOM 0 H THR A 57 9.290 6.219 1.251 1.00 0.00 H new ATOM 0 HA THR A 57 7.837 4.950 3.397 1.00 0.00 H new ATOM 0 HB THR A 57 8.325 7.268 4.379 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.043 5.836 4.260 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.942 9.121 3.474 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.096 8.526 2.257 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.382 8.057 2.162 1.00 0.00 H new ATOM 862 N THR A 58 5.624 5.882 1.911 1.00 0.00 N ATOM 863 CA THR A 58 4.652 5.808 0.796 1.00 0.00 C ATOM 864 C THR A 58 3.228 5.898 1.336 1.00 0.00 C ATOM 865 O THR A 58 2.967 5.614 2.486 1.00 0.00 O ATOM 866 CB THR A 58 4.822 4.488 0.035 1.00 0.00 C ATOM 867 OG1 THR A 58 4.119 4.565 -1.191 1.00 0.00 O ATOM 868 CG2 THR A 58 4.263 3.334 0.866 1.00 0.00 C ATOM 0 H THR A 58 5.222 6.025 2.838 1.00 0.00 H new ATOM 0 HA THR A 58 4.836 6.642 0.119 1.00 0.00 H new ATOM 0 HB THR A 58 5.881 4.314 -0.154 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.252 3.736 -1.697 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.387 2.399 0.320 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.799 3.275 1.813 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.204 3.504 1.059 1.00 0.00 H new ATOM 876 N SER A 59 2.304 6.279 0.503 1.00 0.00 N ATOM 877 CA SER A 59 0.888 6.376 0.943 1.00 0.00 C ATOM 878 C SER A 59 0.011 6.354 -0.292 1.00 0.00 C ATOM 879 O SER A 59 0.371 6.872 -1.328 1.00 0.00 O ATOM 880 CB SER A 59 0.664 7.672 1.724 1.00 0.00 C ATOM 881 OG SER A 59 1.354 8.734 1.080 1.00 0.00 O ATOM 0 H SER A 59 2.471 6.529 -0.472 1.00 0.00 H new ATOM 0 HA SER A 59 0.640 5.540 1.597 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.401 7.897 1.780 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.021 7.559 2.748 1.00 0.00 H new ATOM 0 HG SER A 59 1.211 9.566 1.577 1.00 0.00 H new ATOM 887 N ILE A 60 -1.121 5.732 -0.216 1.00 0.00 N ATOM 888 CA ILE A 60 -1.964 5.660 -1.425 1.00 0.00 C ATOM 889 C ILE A 60 -3.389 6.122 -1.112 1.00 0.00 C ATOM 890 O ILE A 60 -3.748 6.335 0.030 1.00 0.00 O ATOM 891 CB ILE A 60 -1.867 4.233 -1.974 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.669 3.254 -1.122 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.394 3.809 -1.918 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.418 1.834 -1.630 1.00 0.00 C ATOM 0 H ILE A 60 -1.495 5.277 0.617 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.617 6.339 -2.204 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.263 4.219 -2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.376 3.337 -0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.732 3.491 -1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.293 2.794 -2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.204 4.489 -2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.045 3.842 -0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.987 1.126 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.732 1.759 -2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.355 1.603 -1.554 1.00 0.00 H new ATOM 906 N PHE A 61 -4.165 6.387 -2.130 1.00 0.00 N ATOM 907 CA PHE A 61 -5.520 6.964 -1.897 1.00 0.00 C ATOM 908 C PHE A 61 -6.671 6.055 -2.329 1.00 0.00 C ATOM 909 O PHE A 61 -6.532 5.216 -3.192 1.00 0.00 O ATOM 910 CB PHE A 61 -5.590 8.247 -2.712 1.00 0.00 C ATOM 911 CG PHE A 61 -5.328 9.410 -1.810 1.00 0.00 C ATOM 912 CD1 PHE A 61 -4.104 9.503 -1.148 1.00 0.00 C ATOM 913 CD2 PHE A 61 -6.302 10.390 -1.636 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.848 10.582 -0.306 1.00 0.00 C ATOM 915 CE2 PHE A 61 -6.054 11.473 -0.795 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.824 11.573 -0.125 1.00 0.00 C ATOM 0 H PHE A 61 -3.920 6.230 -3.108 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.641 7.116 -0.824 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.856 8.222 -3.517 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.571 8.345 -3.177 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.355 8.738 -1.288 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.248 10.311 -2.152 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.900 10.656 0.207 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.807 12.235 -0.659 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.630 12.411 0.528 1.00 0.00 H new ATOM 926 N PHE A 62 -7.828 6.281 -1.732 1.00 0.00 N ATOM 927 CA PHE A 62 -9.065 5.510 -2.075 1.00 0.00 C ATOM 928 C PHE A 62 -10.276 6.450 -1.998 1.00 0.00 C ATOM 929 O PHE A 62 -11.262 6.107 -1.379 1.00 0.00 O ATOM 930 CB PHE A 62 -9.349 4.397 -1.062 1.00 0.00 C ATOM 931 CG PHE A 62 -8.176 3.477 -0.838 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.941 3.976 -0.411 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.349 2.101 -1.027 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.878 3.095 -0.177 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.288 1.223 -0.797 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.051 1.718 -0.372 1.00 0.00 C ATOM 0 H PHE A 62 -7.962 6.985 -1.006 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.909 5.087 -3.067 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.636 4.846 -0.111 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.200 3.810 -1.407 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.808 5.037 -0.262 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.305 1.718 -1.351 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.924 3.477 0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.423 0.162 -0.947 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.230 1.040 -0.194 1.00 0.00 H new ATOM 946 N PRO A 63 -10.187 7.593 -2.619 1.00 0.00 N ATOM 947 CA PRO A 63 -11.294 8.568 -2.620 1.00 0.00 C ATOM 948 C PRO A 63 -12.488 7.991 -3.375 1.00 0.00 C ATOM 949 O PRO A 63 -13.596 8.483 -3.295 1.00 0.00 O ATOM 950 CB PRO A 63 -10.699 9.794 -3.316 1.00 0.00 C ATOM 951 CG PRO A 63 -9.495 9.271 -4.127 1.00 0.00 C ATOM 952 CD PRO A 63 -9.005 8.019 -3.381 1.00 0.00 C ATOM 0 HA PRO A 63 -11.667 8.817 -1.627 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.433 10.269 -3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.386 10.543 -2.589 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.786 9.029 -5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.708 10.023 -4.189 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.671 7.244 -4.072 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.164 8.245 -2.725 1.00 0.00 H new ATOM 960 N SER A 64 -12.264 6.929 -4.086 1.00 0.00 N ATOM 961 CA SER A 64 -13.369 6.273 -4.834 1.00 0.00 C ATOM 962 C SER A 64 -13.439 4.802 -4.415 1.00 0.00 C ATOM 963 O SER A 64 -13.426 3.913 -5.243 1.00 0.00 O ATOM 964 CB SER A 64 -13.094 6.362 -6.337 1.00 0.00 C ATOM 965 OG SER A 64 -14.209 6.963 -6.982 1.00 0.00 O ATOM 0 H SER A 64 -11.353 6.480 -4.184 1.00 0.00 H new ATOM 0 HA SER A 64 -14.314 6.770 -4.613 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.194 6.948 -6.520 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.915 5.367 -6.746 1.00 0.00 H new ATOM 0 HG SER A 64 -14.036 7.024 -7.945 1.00 0.00 H new ATOM 971 N ALA A 65 -13.499 4.532 -3.134 1.00 0.00 N ATOM 972 CA ALA A 65 -13.553 3.114 -2.682 1.00 0.00 C ATOM 973 C ALA A 65 -14.998 2.627 -2.640 1.00 0.00 C ATOM 974 O ALA A 65 -15.903 3.346 -2.253 1.00 0.00 O ATOM 975 CB ALA A 65 -12.947 2.983 -1.289 1.00 0.00 C ATOM 0 H ALA A 65 -13.513 5.229 -2.389 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.984 2.508 -3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.992 1.942 -0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.908 3.311 -1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.507 3.602 -0.589 1.00 0.00 H new ATOM 981 N LYS A 66 -15.202 1.396 -3.023 1.00 0.00 N ATOM 982 CA LYS A 66 -16.570 0.806 -3.014 1.00 0.00 C ATOM 983 C LYS A 66 -16.472 -0.674 -2.644 1.00 0.00 C ATOM 984 O LYS A 66 -15.398 -1.194 -2.438 1.00 0.00 O ATOM 985 CB LYS A 66 -17.198 0.944 -4.403 1.00 0.00 C ATOM 986 CG LYS A 66 -17.448 2.422 -4.707 1.00 0.00 C ATOM 987 CD LYS A 66 -17.269 2.673 -6.206 1.00 0.00 C ATOM 988 CE LYS A 66 -18.571 3.221 -6.791 1.00 0.00 C ATOM 989 NZ LYS A 66 -18.442 4.691 -7.000 1.00 0.00 N ATOM 0 H LYS A 66 -14.468 0.766 -3.346 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.190 1.329 -2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.538 0.514 -5.156 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -18.135 0.390 -4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -18.455 2.702 -4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.756 3.043 -4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -16.457 3.381 -6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.993 1.747 -6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.794 2.727 -7.737 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.402 3.010 -6.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.327 5.064 -7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.249 5.155 -6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.660 4.881 -7.658 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.582 -1.354 -2.554 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.545 -2.801 -2.191 1.00 0.00 C ATOM 1005 C ARG A 67 -16.398 -3.495 -2.933 1.00 0.00 C ATOM 1006 O ARG A 67 -15.653 -4.265 -2.361 1.00 0.00 O ATOM 1007 CB ARG A 67 -18.873 -3.457 -2.578 1.00 0.00 C ATOM 1008 CG ARG A 67 -19.405 -2.823 -3.865 1.00 0.00 C ATOM 1009 CD ARG A 67 -20.656 -2.001 -3.550 1.00 0.00 C ATOM 1010 NE ARG A 67 -21.555 -1.992 -4.738 1.00 0.00 N ATOM 1011 CZ ARG A 67 -22.626 -1.246 -4.740 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -22.565 -0.018 -5.177 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -23.758 -1.729 -4.305 1.00 0.00 N ATOM 0 H ARG A 67 -18.513 -0.971 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.388 -2.898 -1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -18.733 -4.529 -2.720 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.598 -3.334 -1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -18.641 -2.186 -4.312 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -19.640 -3.598 -4.594 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -21.176 -2.424 -2.690 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -20.377 -0.982 -3.284 1.00 0.00 H new ATOM 0 HE ARG A 67 -21.334 -2.569 -5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -21.680 0.359 -5.517 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -23.402 0.565 -5.179 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -23.805 -2.689 -3.964 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -24.595 -1.146 -4.306 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.255 -3.233 -4.203 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.167 -3.880 -4.983 1.00 0.00 C ATOM 1029 C ALA A 68 -13.807 -3.580 -4.344 1.00 0.00 C ATOM 1030 O ALA A 68 -12.974 -4.452 -4.198 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.181 -3.340 -6.414 1.00 0.00 C ATOM 0 H ALA A 68 -16.848 -2.596 -4.735 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.328 -4.958 -4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.384 -3.812 -6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.143 -3.561 -6.877 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.026 -2.261 -6.397 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.573 -2.352 -3.970 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.265 -1.993 -3.350 1.00 0.00 C ATOM 1039 C ASP A 69 -11.855 -3.068 -2.341 1.00 0.00 C ATOM 1040 O ASP A 69 -10.686 -3.266 -2.075 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.392 -0.646 -2.636 1.00 0.00 C ATOM 1042 CG ASP A 69 -11.849 0.464 -3.540 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -12.302 0.556 -4.669 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -10.990 1.202 -3.087 1.00 0.00 O ATOM 0 H ASP A 69 -14.232 -1.580 -4.067 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.506 -1.924 -4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.435 -0.450 -2.389 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.840 -0.667 -1.696 1.00 0.00 H new ATOM 1049 N SER A 70 -12.802 -3.762 -1.775 1.00 0.00 N ATOM 1050 CA SER A 70 -12.456 -4.821 -0.784 1.00 0.00 C ATOM 1051 C SER A 70 -11.456 -5.796 -1.409 1.00 0.00 C ATOM 1052 O SER A 70 -11.830 -6.730 -2.089 1.00 0.00 O ATOM 1053 CB SER A 70 -13.724 -5.576 -0.381 1.00 0.00 C ATOM 1054 OG SER A 70 -14.664 -4.658 0.161 1.00 0.00 O ATOM 0 H SER A 70 -13.799 -3.643 -1.954 1.00 0.00 H new ATOM 0 HA SER A 70 -12.012 -4.362 0.099 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.150 -6.082 -1.247 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.485 -6.346 0.353 1.00 0.00 H new ATOM 0 HG SER A 70 -15.266 -4.350 -0.548 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.184 -5.588 -1.188 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.169 -6.507 -1.777 1.00 0.00 C ATOM 1062 C GLY A 71 -7.986 -6.671 -0.817 1.00 0.00 C ATOM 1063 O GLY A 71 -7.944 -6.082 0.251 1.00 0.00 O ATOM 0 H GLY A 71 -9.807 -4.824 -0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.621 -7.478 -1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.821 -6.113 -2.732 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.019 -7.465 -1.195 1.00 0.00 N ATOM 1068 CA ASN A 72 -5.832 -7.670 -0.318 1.00 0.00 C ATOM 1069 C ASN A 72 -4.722 -6.725 -0.768 1.00 0.00 C ATOM 1070 O ASN A 72 -3.931 -7.046 -1.630 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.353 -9.119 -0.435 1.00 0.00 C ATOM 1072 CG ASN A 72 -4.101 -9.314 0.423 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -3.758 -8.463 1.219 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -3.400 -10.407 0.293 1.00 0.00 N ATOM 0 H ASN A 72 -7.001 -7.981 -2.075 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.096 -7.465 0.720 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.139 -9.800 -0.110 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -5.134 -9.358 -1.476 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.564 -10.547 0.860 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.688 -11.121 -0.376 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.668 -5.554 -0.204 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.622 -4.581 -0.614 1.00 0.00 C ATOM 1083 C TYR A 73 -2.258 -5.020 -0.083 1.00 0.00 C ATOM 1084 O TYR A 73 -1.896 -4.739 1.040 1.00 0.00 O ATOM 1085 CB TYR A 73 -3.976 -3.199 -0.067 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.030 -2.584 -0.950 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.194 -3.298 -1.256 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -4.832 -1.309 -1.479 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.163 -2.729 -2.089 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -5.796 -0.740 -2.316 1.00 0.00 C ATOM 1091 CZ TYR A 73 -6.964 -1.450 -2.621 1.00 0.00 C ATOM 1092 OH TYR A 73 -7.917 -0.892 -3.446 1.00 0.00 O ATOM 0 H TYR A 73 -5.304 -5.228 0.524 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.574 -4.539 -1.702 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.341 -3.280 0.957 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.090 -2.565 -0.040 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.344 -4.287 -0.849 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.932 -0.760 -1.242 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.064 -3.277 -2.322 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.640 0.246 -2.727 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.360 -0.152 -2.980 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.494 -5.697 -0.894 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.148 -6.147 -0.450 1.00 0.00 C ATOM 1104 C LYS A 74 0.908 -5.198 -1.019 1.00 0.00 C ATOM 1105 O LYS A 74 1.060 -5.065 -2.219 1.00 0.00 O ATOM 1106 CB LYS A 74 0.114 -7.566 -0.959 1.00 0.00 C ATOM 1107 CG LYS A 74 1.501 -8.024 -0.502 1.00 0.00 C ATOM 1108 CD LYS A 74 1.614 -7.874 1.016 1.00 0.00 C ATOM 1109 CE LYS A 74 2.977 -8.391 1.481 1.00 0.00 C ATOM 1110 NZ LYS A 74 3.025 -9.873 1.327 1.00 0.00 N ATOM 0 H LYS A 74 -1.746 -5.958 -1.847 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.101 -6.142 0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.649 -8.246 -0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.051 -7.591 -2.047 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.665 -9.063 -0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.272 -7.432 -0.995 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.495 -6.828 1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.816 -8.430 1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.772 -7.928 0.897 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.146 -8.117 2.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.798 -10.257 1.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.122 -10.284 1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.189 -10.113 0.328 1.00 0.00 H new ATOM 1124 N LEU A 75 1.638 -4.533 -0.168 1.00 0.00 N ATOM 1125 CA LEU A 75 2.681 -3.595 -0.661 1.00 0.00 C ATOM 1126 C LEU A 75 4.053 -4.248 -0.486 1.00 0.00 C ATOM 1127 O LEU A 75 4.300 -4.943 0.478 1.00 0.00 O ATOM 1128 CB LEU A 75 2.604 -2.291 0.142 1.00 0.00 C ATOM 1129 CG LEU A 75 3.877 -1.466 -0.060 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.531 -0.154 -0.755 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.500 -1.160 1.302 1.00 0.00 C ATOM 0 H LEU A 75 1.557 -4.599 0.847 1.00 0.00 H new ATOM 0 HA LEU A 75 2.523 -3.369 -1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.735 -1.713 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.472 -2.515 1.201 1.00 0.00 H new ATOM 0 HG LEU A 75 4.581 -2.030 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.439 0.432 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.078 -0.364 -1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.828 0.409 -0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.407 -0.572 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.791 -0.596 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.746 -2.094 1.808 1.00 0.00 H new ATOM 1143 N LYS A 76 4.947 -4.040 -1.413 1.00 0.00 N ATOM 1144 CA LYS A 76 6.294 -4.662 -1.294 1.00 0.00 C ATOM 1145 C LYS A 76 7.361 -3.697 -1.814 1.00 0.00 C ATOM 1146 O LYS A 76 7.461 -3.446 -2.999 1.00 0.00 O ATOM 1147 CB LYS A 76 6.332 -5.951 -2.118 1.00 0.00 C ATOM 1148 CG LYS A 76 7.102 -7.028 -1.352 1.00 0.00 C ATOM 1149 CD LYS A 76 6.118 -8.047 -0.774 1.00 0.00 C ATOM 1150 CE LYS A 76 5.632 -8.976 -1.887 1.00 0.00 C ATOM 1151 NZ LYS A 76 6.682 -9.991 -2.182 1.00 0.00 N ATOM 0 H LYS A 76 4.803 -3.468 -2.245 1.00 0.00 H new ATOM 0 HA LYS A 76 6.494 -4.888 -0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.318 -6.292 -2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.808 -5.765 -3.081 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.809 -7.526 -2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.684 -6.573 -0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.599 -8.627 0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.271 -7.533 -0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.708 -9.470 -1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.407 -8.399 -2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.270 -10.764 -2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.453 -9.547 -2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.057 -10.372 -1.290 1.00 0.00 H new ATOM 1165 N VAL A 77 8.168 -3.162 -0.938 1.00 0.00 N ATOM 1166 CA VAL A 77 9.235 -2.226 -1.388 1.00 0.00 C ATOM 1167 C VAL A 77 10.570 -2.974 -1.411 1.00 0.00 C ATOM 1168 O VAL A 77 10.712 -4.016 -0.805 1.00 0.00 O ATOM 1169 CB VAL A 77 9.296 -1.018 -0.439 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.883 -0.680 0.037 1.00 0.00 C ATOM 1171 CG2 VAL A 77 10.166 -1.334 0.782 1.00 0.00 C ATOM 0 H VAL A 77 8.134 -3.333 0.067 1.00 0.00 H new ATOM 0 HA VAL A 77 9.018 -1.858 -2.391 1.00 0.00 H new ATOM 0 HB VAL A 77 9.729 -0.174 -0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.921 0.176 0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.258 -0.438 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.462 -1.537 0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.197 -0.467 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.744 -2.183 1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.177 -1.577 0.455 1.00 0.00 H new ATOM 1181 N LYS A 78 11.545 -2.470 -2.116 1.00 0.00 N ATOM 1182 CA LYS A 78 12.850 -3.187 -2.172 1.00 0.00 C ATOM 1183 C LYS A 78 14.003 -2.193 -2.314 1.00 0.00 C ATOM 1184 O LYS A 78 13.805 -1.002 -2.452 1.00 0.00 O ATOM 1185 CB LYS A 78 12.852 -4.133 -3.374 1.00 0.00 C ATOM 1186 CG LYS A 78 12.081 -3.494 -4.531 1.00 0.00 C ATOM 1187 CD LYS A 78 12.930 -3.549 -5.803 1.00 0.00 C ATOM 1188 CE LYS A 78 12.117 -4.183 -6.933 1.00 0.00 C ATOM 1189 NZ LYS A 78 13.042 -4.784 -7.936 1.00 0.00 N ATOM 0 H LYS A 78 11.496 -1.602 -2.650 1.00 0.00 H new ATOM 0 HA LYS A 78 12.982 -3.750 -1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 78 13.876 -4.346 -3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.396 -5.085 -3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.138 -4.019 -4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.834 -2.460 -4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.245 -2.545 -6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.836 -4.128 -5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.452 -4.948 -6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.487 -3.431 -7.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.489 -5.215 -8.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.659 -4.043 -8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.625 -5.513 -7.478 1.00 0.00 H new ATOM 1203 N ASN A 79 15.211 -2.688 -2.287 1.00 0.00 N ATOM 1204 CA ASN A 79 16.397 -1.799 -2.426 1.00 0.00 C ATOM 1205 C ASN A 79 17.473 -2.531 -3.231 1.00 0.00 C ATOM 1206 O ASN A 79 17.449 -3.740 -3.353 1.00 0.00 O ATOM 1207 CB ASN A 79 16.942 -1.452 -1.039 1.00 0.00 C ATOM 1208 CG ASN A 79 16.412 -0.083 -0.611 1.00 0.00 C ATOM 1209 OD1 ASN A 79 15.737 0.034 0.393 1.00 0.00 O ATOM 1210 ND2 ASN A 79 16.691 0.966 -1.336 1.00 0.00 N ATOM 0 H ASN A 79 15.427 -3.678 -2.174 1.00 0.00 H new ATOM 0 HA ASN A 79 16.113 -0.880 -2.939 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.641 -2.212 -0.318 1.00 0.00 H new ATOM 0 HB3 ASN A 79 18.032 -1.443 -1.057 1.00 0.00 H new ATOM 0 HD21 ASN A 79 16.343 1.884 -1.060 1.00 0.00 H new ATOM 0 HD22 ASN A 79 17.257 0.868 -2.179 1.00 0.00 H new ATOM 1217 N GLU A 80 18.409 -1.805 -3.785 1.00 0.00 N ATOM 1218 CA GLU A 80 19.488 -2.447 -4.595 1.00 0.00 C ATOM 1219 C GLU A 80 19.910 -3.777 -3.962 1.00 0.00 C ATOM 1220 O GLU A 80 20.206 -4.732 -4.651 1.00 0.00 O ATOM 1221 CB GLU A 80 20.697 -1.512 -4.662 1.00 0.00 C ATOM 1222 CG GLU A 80 21.630 -1.964 -5.787 1.00 0.00 C ATOM 1223 CD GLU A 80 22.915 -1.134 -5.750 1.00 0.00 C ATOM 1224 OE1 GLU A 80 23.599 -1.181 -4.741 1.00 0.00 O ATOM 1225 OE2 GLU A 80 23.193 -0.466 -6.732 1.00 0.00 O ATOM 0 H GLU A 80 18.473 -0.790 -3.711 1.00 0.00 H new ATOM 0 HA GLU A 80 19.109 -2.637 -5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.369 -0.488 -4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 80 21.228 -1.518 -3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.865 -3.023 -5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.137 -1.847 -6.752 1.00 0.00 H new ATOM 1232 N LEU A 81 19.942 -3.849 -2.660 1.00 0.00 N ATOM 1233 CA LEU A 81 20.348 -5.123 -2.000 1.00 0.00 C ATOM 1234 C LEU A 81 19.530 -5.328 -0.724 1.00 0.00 C ATOM 1235 O LEU A 81 20.058 -5.682 0.312 1.00 0.00 O ATOM 1236 CB LEU A 81 21.835 -5.060 -1.645 1.00 0.00 C ATOM 1237 CG LEU A 81 22.673 -5.316 -2.898 1.00 0.00 C ATOM 1238 CD1 LEU A 81 23.893 -4.395 -2.895 1.00 0.00 C ATOM 1239 CD2 LEU A 81 23.136 -6.775 -2.911 1.00 0.00 C ATOM 0 H LEU A 81 19.706 -3.085 -2.027 1.00 0.00 H new ATOM 0 HA LEU A 81 20.168 -5.955 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 81 22.078 -4.084 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 81 22.069 -5.802 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 81 22.071 -5.116 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 81 24.490 -4.578 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 81 23.564 -3.356 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 81 24.496 -4.593 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 81 23.734 -6.959 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 81 23.738 -6.974 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.267 -7.433 -2.914 1.00 0.00 H new ATOM 1251 N GLY A 82 18.244 -5.111 -0.786 1.00 0.00 N ATOM 1252 CA GLY A 82 17.402 -5.298 0.432 1.00 0.00 C ATOM 1253 C GLY A 82 15.942 -5.488 0.022 1.00 0.00 C ATOM 1254 O GLY A 82 15.600 -5.403 -1.141 1.00 0.00 O ATOM 0 H GLY A 82 17.741 -4.814 -1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.748 -6.165 0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.496 -4.433 1.088 1.00 0.00 H new ATOM 1258 N GLU A 83 15.075 -5.744 0.964 1.00 0.00 N ATOM 1259 CA GLU A 83 13.641 -5.934 0.611 1.00 0.00 C ATOM 1260 C GLU A 83 12.771 -5.897 1.870 1.00 0.00 C ATOM 1261 O GLU A 83 13.108 -6.457 2.894 1.00 0.00 O ATOM 1262 CB GLU A 83 13.460 -7.282 -0.085 1.00 0.00 C ATOM 1263 CG GLU A 83 14.080 -8.387 0.772 1.00 0.00 C ATOM 1264 CD GLU A 83 13.480 -9.737 0.378 1.00 0.00 C ATOM 1265 OE1 GLU A 83 12.273 -9.800 0.210 1.00 0.00 O ATOM 1266 OE2 GLU A 83 14.237 -10.686 0.252 1.00 0.00 O ATOM 0 H GLU A 83 15.296 -5.829 1.956 1.00 0.00 H new ATOM 0 HA GLU A 83 13.336 -5.127 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.400 -7.482 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.931 -7.262 -1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.161 -8.404 0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.895 -8.189 1.828 1.00 0.00 H new ATOM 1273 N ASP A 84 11.644 -5.250 1.782 1.00 0.00 N ATOM 1274 CA ASP A 84 10.713 -5.168 2.941 1.00 0.00 C ATOM 1275 C ASP A 84 9.290 -5.059 2.392 1.00 0.00 C ATOM 1276 O ASP A 84 9.088 -4.646 1.269 1.00 0.00 O ATOM 1277 CB ASP A 84 11.040 -3.934 3.785 1.00 0.00 C ATOM 1278 CG ASP A 84 11.193 -4.345 5.251 1.00 0.00 C ATOM 1279 OD1 ASP A 84 10.375 -5.122 5.715 1.00 0.00 O ATOM 1280 OD2 ASP A 84 12.124 -3.875 5.883 1.00 0.00 O ATOM 0 H ASP A 84 11.323 -4.767 0.943 1.00 0.00 H new ATOM 0 HA ASP A 84 10.811 -6.052 3.571 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.959 -3.470 3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.248 -3.192 3.685 1.00 0.00 H new ATOM 1285 N GLU A 85 8.299 -5.439 3.150 1.00 0.00 N ATOM 1286 CA GLU A 85 6.912 -5.360 2.622 1.00 0.00 C ATOM 1287 C GLU A 85 5.906 -5.207 3.766 1.00 0.00 C ATOM 1288 O GLU A 85 6.214 -5.429 4.919 1.00 0.00 O ATOM 1289 CB GLU A 85 6.618 -6.641 1.836 1.00 0.00 C ATOM 1290 CG GLU A 85 6.249 -7.777 2.797 1.00 0.00 C ATOM 1291 CD GLU A 85 6.967 -9.059 2.370 1.00 0.00 C ATOM 1292 OE1 GLU A 85 8.172 -9.009 2.191 1.00 0.00 O ATOM 1293 OE2 GLU A 85 6.298 -10.070 2.229 1.00 0.00 O ATOM 0 H GLU A 85 8.389 -5.797 4.101 1.00 0.00 H new ATOM 0 HA GLU A 85 6.819 -4.490 1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.801 -6.467 1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.490 -6.923 1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.531 -7.512 3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.170 -7.934 2.795 1.00 0.00 H new ATOM 1300 N ALA A 86 4.698 -4.834 3.441 1.00 0.00 N ATOM 1301 CA ALA A 86 3.651 -4.669 4.484 1.00 0.00 C ATOM 1302 C ALA A 86 2.319 -5.183 3.934 1.00 0.00 C ATOM 1303 O ALA A 86 1.954 -4.910 2.805 1.00 0.00 O ATOM 1304 CB ALA A 86 3.520 -3.188 4.849 1.00 0.00 C ATOM 0 H ALA A 86 4.391 -4.635 2.489 1.00 0.00 H new ATOM 0 HA ALA A 86 3.924 -5.233 5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.752 -3.068 5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.473 -2.822 5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.241 -2.618 3.963 1.00 0.00 H new ATOM 1310 N ILE A 87 1.592 -5.933 4.716 1.00 0.00 N ATOM 1311 CA ILE A 87 0.290 -6.469 4.232 1.00 0.00 C ATOM 1312 C ILE A 87 -0.832 -5.490 4.585 1.00 0.00 C ATOM 1313 O ILE A 87 -0.869 -4.936 5.665 1.00 0.00 O ATOM 1314 CB ILE A 87 0.023 -7.827 4.891 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -1.064 -8.570 4.109 1.00 0.00 C ATOM 1316 CG2 ILE A 87 -0.433 -7.624 6.338 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -2.404 -7.846 4.264 1.00 0.00 C ATOM 0 H ILE A 87 1.844 -6.197 5.668 1.00 0.00 H new ATOM 0 HA ILE A 87 0.326 -6.594 3.150 1.00 0.00 H new ATOM 0 HB ILE A 87 0.941 -8.414 4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.791 -8.627 3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.150 -9.594 4.472 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.621 -8.593 6.800 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.345 -7.102 6.895 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.348 -7.032 6.351 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.173 -8.380 3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.679 -7.812 5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.315 -6.830 3.879 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.750 -5.277 3.683 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.869 -4.337 3.970 1.00 0.00 C ATOM 1331 C PHE A 88 -4.186 -4.941 3.478 1.00 0.00 C ATOM 1332 O PHE A 88 -4.557 -4.788 2.334 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.638 -3.008 3.245 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.291 -2.435 3.619 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -0.123 -2.956 3.048 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -1.211 -1.373 4.527 1.00 0.00 C ATOM 1337 CE1 PHE A 88 1.123 -2.416 3.388 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.035 -0.833 4.865 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.201 -1.355 4.296 1.00 0.00 C ATOM 0 H PHE A 88 -1.773 -5.713 2.761 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.914 -4.165 5.045 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.690 -3.160 2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.426 -2.302 3.505 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.184 -3.774 2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.111 -0.970 4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.024 -2.819 2.949 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.096 -0.013 5.565 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.162 -0.939 4.558 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.909 -5.606 4.330 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.208 -6.186 3.893 1.00 0.00 C ATOM 1351 C GLU A 89 -7.243 -5.064 3.893 1.00 0.00 C ATOM 1352 O GLU A 89 -7.672 -4.611 4.933 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.638 -7.285 4.867 1.00 0.00 C ATOM 1354 CG GLU A 89 -6.505 -8.650 4.190 1.00 0.00 C ATOM 1355 CD GLU A 89 -6.221 -9.719 5.246 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -5.059 -9.922 5.557 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -7.170 -10.316 5.727 1.00 0.00 O ATOM 0 H GLU A 89 -4.660 -5.773 5.305 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.116 -6.621 2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.021 -7.251 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.669 -7.123 5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.421 -8.891 3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.700 -8.626 3.456 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.636 -4.591 2.741 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.624 -3.476 2.710 1.00 0.00 C ATOM 1366 C VAL A 90 -10.017 -4.017 2.391 1.00 0.00 C ATOM 1367 O VAL A 90 -10.231 -4.657 1.381 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.207 -2.455 1.648 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -9.146 -1.248 1.702 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.774 -1.995 1.925 1.00 0.00 C ATOM 0 H VAL A 90 -7.320 -4.924 1.830 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.650 -2.993 3.687 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.262 -2.913 0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.849 -0.522 0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.168 -1.574 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.091 -0.788 2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.473 -1.268 1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.724 -1.536 2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.103 -2.853 1.889 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.969 -3.758 3.245 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.349 -4.247 2.989 1.00 0.00 C ATOM 1382 C ILE A 91 -13.276 -3.048 2.802 1.00 0.00 C ATOM 1383 O ILE A 91 -12.888 -1.915 3.010 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.832 -5.086 4.171 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -11.763 -6.120 4.533 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.124 -5.802 3.781 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -10.903 -5.585 5.680 1.00 0.00 C ATOM 0 H ILE A 91 -10.849 -3.229 4.109 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.355 -4.864 2.090 1.00 0.00 H new ATOM 0 HB ILE A 91 -13.015 -4.441 5.030 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.234 -7.059 4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -11.139 -6.333 3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.475 -6.403 4.620 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.884 -5.065 3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -13.937 -6.449 2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.142 -6.321 5.938 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.421 -4.657 5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -11.533 -5.395 6.549 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.494 -3.280 2.398 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.429 -2.143 2.187 1.00 0.00 C ATOM 1401 C VAL A 92 -16.811 -2.496 2.738 1.00 0.00 C ATOM 1402 O VAL A 92 -17.309 -3.587 2.546 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.527 -1.852 0.692 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -16.178 -0.485 0.475 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -14.118 -1.848 0.095 1.00 0.00 C ATOM 0 H VAL A 92 -14.880 -4.204 2.206 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.057 -1.262 2.710 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.133 -2.617 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.247 -0.280 -0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.178 -0.485 0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.574 0.286 0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.176 -1.641 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.519 -1.078 0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.654 -2.822 0.251 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.435 -1.576 3.423 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.786 -1.854 3.989 1.00 0.00 C ATOM 1417 C GLN A 93 -19.810 -0.913 3.351 1.00 0.00 C ATOM 1418 O GLN A 93 -20.976 -1.272 3.320 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.761 -1.631 5.502 1.00 0.00 C ATOM 1420 CG GLN A 93 -19.662 -2.662 6.185 1.00 0.00 C ATOM 1421 CD GLN A 93 -19.109 -2.984 7.574 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -19.697 -2.621 8.574 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -17.995 -3.655 7.681 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.411 0.149 2.904 1.00 0.00 O ATOM 0 H GLN A 93 -17.068 -0.644 3.615 1.00 0.00 H new ATOM 0 HA GLN A 93 -19.062 -2.887 3.779 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -17.741 -1.719 5.876 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -19.101 -0.623 5.737 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -20.678 -2.275 6.267 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -19.714 -3.570 5.584 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -17.501 -3.960 6.842 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -17.618 -3.874 8.603 1.00 0.00 H new