USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 664 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 6 HIS : no HD1:sc= -0.152 K(o=-0.15,f=-0.67) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.261 K(o=-0.26,f=-8.8!) USER MOD Single : A 15 CYS SG : rot -110:sc= -2.24 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -4.69! C(o=-4.7!,f=-6.9!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.28 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.29) USER MOD Single : A 35 THR OG1 : rot 27:sc= 0.0965 USER MOD Single : A 36 ASN : amide:sc= -0.819 K(o=-0.82,f=-8.8!) USER MOD Single : A 38 ASN : amide:sc= -1.71 K(o=-1.7,f=-4!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= 1.12 (180deg=1.07) USER MOD Single : A 46 THR OG1 : rot -156:sc= -1.02 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0451 USER MOD Single : A 73 ASN : amide:sc= 0.753 K(o=0.75,f=-8.1!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -150:sc= -1.2 USER MOD Single : A 98 THR OG1 : rot 22:sc= 0.906 USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 6 -5.282 14.502 -3.728 1.00 0.00 N ATOM 78 CA HIS A 6 -5.805 13.151 -3.929 1.00 0.00 C ATOM 79 C HIS A 6 -4.677 12.127 -4.061 1.00 0.00 C ATOM 80 O HIS A 6 -3.801 12.260 -4.917 1.00 0.00 O ATOM 81 CB HIS A 6 -6.701 13.109 -5.174 1.00 0.00 C ATOM 82 CG HIS A 6 -6.024 13.562 -6.435 1.00 0.00 C ATOM 83 ND1 HIS A 6 -5.674 14.876 -6.677 1.00 0.00 N ATOM 84 CD2 HIS A 6 -5.632 12.864 -7.528 1.00 0.00 C ATOM 85 CE1 HIS A 6 -5.099 14.964 -7.864 1.00 0.00 C ATOM 86 NE2 HIS A 6 -5.061 13.758 -8.399 1.00 0.00 N ATOM 0 HA HIS A 6 -6.396 12.889 -3.051 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.061 12.090 -5.314 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -7.576 13.735 -5.000 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.747 11.802 -7.685 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -4.724 15.869 -8.319 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -4.670 13.528 -9.313 1.00 0.00 H new ATOM 95 N ILE A 7 -4.711 11.101 -3.211 1.00 0.00 N ATOM 96 CA ILE A 7 -3.696 10.050 -3.237 1.00 0.00 C ATOM 97 C ILE A 7 -4.204 8.822 -3.991 1.00 0.00 C ATOM 98 O ILE A 7 -5.392 8.505 -3.952 1.00 0.00 O ATOM 99 CB ILE A 7 -3.265 9.626 -1.814 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.928 10.856 -0.962 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.074 8.679 -1.878 1.00 0.00 C ATOM 102 CD1 ILE A 7 -1.716 11.625 -1.449 1.00 0.00 C ATOM 0 H ILE A 7 -5.429 10.976 -2.498 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.830 10.465 -3.752 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.098 9.102 -1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.789 11.524 -0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.756 10.538 0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.784 8.391 -0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.347 7.789 -2.445 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.238 9.179 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.541 12.480 -0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.842 10.974 -1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.892 11.975 -2.466 1.00 0.00 H new ATOM 114 N THR A 8 -3.291 8.142 -4.680 1.00 0.00 N ATOM 115 CA THR A 8 -3.632 6.951 -5.453 1.00 0.00 C ATOM 116 C THR A 8 -3.163 5.678 -4.740 1.00 0.00 C ATOM 117 O THR A 8 -1.968 5.487 -4.511 1.00 0.00 O ATOM 118 CB THR A 8 -3.005 7.035 -6.848 1.00 0.00 C ATOM 119 OG1 THR A 8 -3.462 8.187 -7.539 1.00 0.00 O ATOM 120 CG2 THR A 8 -3.301 5.832 -7.719 1.00 0.00 C ATOM 0 H THR A 8 -2.304 8.397 -4.719 1.00 0.00 H new ATOM 0 HA THR A 8 -4.717 6.905 -5.549 1.00 0.00 H new ATOM 0 HB THR A 8 -1.930 7.078 -6.672 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.048 8.222 -8.427 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.825 5.961 -8.691 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.912 4.933 -7.241 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.379 5.735 -7.852 1.00 0.00 H new ATOM 128 N VAL A 9 -4.114 4.812 -4.395 1.00 0.00 N ATOM 129 CA VAL A 9 -3.803 3.557 -3.714 1.00 0.00 C ATOM 130 C VAL A 9 -4.816 2.473 -4.084 1.00 0.00 C ATOM 131 O VAL A 9 -5.993 2.567 -3.736 1.00 0.00 O ATOM 132 CB VAL A 9 -3.759 3.742 -2.179 1.00 0.00 C ATOM 133 CG1 VAL A 9 -5.091 4.238 -1.638 1.00 0.00 C ATOM 134 CG2 VAL A 9 -3.339 2.448 -1.491 1.00 0.00 C ATOM 0 H VAL A 9 -5.107 4.957 -4.576 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.814 3.242 -4.046 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.012 4.505 -1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.023 4.356 -0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.334 5.198 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.872 3.516 -1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.315 2.601 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.054 1.660 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.348 2.156 -1.838 1.00 0.00 H new ATOM 144 N GLN A 10 -4.356 1.451 -4.804 1.00 0.00 N ATOM 145 CA GLN A 10 -5.231 0.362 -5.233 1.00 0.00 C ATOM 146 C GLN A 10 -4.571 -1.004 -5.041 1.00 0.00 C ATOM 147 O GLN A 10 -3.352 -1.103 -4.885 1.00 0.00 O ATOM 148 CB GLN A 10 -5.641 0.548 -6.697 1.00 0.00 C ATOM 149 CG GLN A 10 -4.512 0.992 -7.611 1.00 0.00 C ATOM 150 CD GLN A 10 -4.505 2.493 -7.850 1.00 0.00 C ATOM 151 OE1 GLN A 10 -4.791 3.283 -6.949 1.00 0.00 O ATOM 152 NE2 GLN A 10 -4.181 2.898 -9.075 1.00 0.00 N ATOM 0 H GLN A 10 -3.385 1.355 -5.102 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.122 0.393 -4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.047 -0.392 -7.071 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.444 1.284 -6.747 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.559 0.693 -7.175 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.601 0.477 -8.567 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.950 2.213 -9.794 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.163 3.894 -9.295 1.00 0.00 H new ATOM 161 N PHE A 11 -5.394 -2.054 -5.053 1.00 0.00 N ATOM 162 CA PHE A 11 -4.909 -3.419 -4.876 1.00 0.00 C ATOM 163 C PHE A 11 -5.258 -4.289 -6.082 1.00 0.00 C ATOM 164 O PHE A 11 -6.338 -4.164 -6.660 1.00 0.00 O ATOM 165 CB PHE A 11 -5.501 -4.033 -3.603 1.00 0.00 C ATOM 166 CG PHE A 11 -5.246 -3.216 -2.367 1.00 0.00 C ATOM 167 CD1 PHE A 11 -6.053 -2.131 -2.060 1.00 0.00 C ATOM 168 CD2 PHE A 11 -4.198 -3.526 -1.517 1.00 0.00 C ATOM 169 CE1 PHE A 11 -5.821 -1.376 -0.927 1.00 0.00 C ATOM 170 CE2 PHE A 11 -3.960 -2.773 -0.382 1.00 0.00 C ATOM 171 CZ PHE A 11 -4.772 -1.698 -0.087 1.00 0.00 C ATOM 0 H PHE A 11 -6.403 -1.982 -5.184 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.824 -3.379 -4.784 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.576 -4.153 -3.734 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.084 -5.030 -3.462 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.873 -1.873 -2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.558 -4.366 -1.743 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.459 -0.535 -0.698 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.139 -3.026 0.273 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.588 -1.109 0.799 1.00 0.00 H new ATOM 181 N ALA A 12 -4.329 -5.169 -6.450 1.00 0.00 N ATOM 182 CA ALA A 12 -4.521 -6.067 -7.588 1.00 0.00 C ATOM 183 C ALA A 12 -4.017 -7.477 -7.277 1.00 0.00 C ATOM 184 O ALA A 12 -3.091 -7.657 -6.481 1.00 0.00 O ATOM 185 CB ALA A 12 -3.814 -5.516 -8.817 1.00 0.00 C ATOM 0 H ALA A 12 -3.433 -5.280 -5.975 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.591 -6.130 -7.789 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.964 -6.193 -9.658 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.223 -4.536 -9.063 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.747 -5.423 -8.612 1.00 0.00 H new ATOM 191 N GLY A 13 -4.635 -8.473 -7.911 1.00 0.00 N ATOM 192 CA GLY A 13 -4.240 -9.854 -7.697 1.00 0.00 C ATOM 193 C GLY A 13 -4.783 -10.417 -6.398 1.00 0.00 C ATOM 194 O GLY A 13 -5.986 -10.645 -6.272 1.00 0.00 O ATOM 0 H GLY A 13 -5.403 -8.346 -8.570 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.593 -10.463 -8.529 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.152 -9.921 -7.692 1.00 0.00 H new ATOM 198 N GLY A 14 -3.894 -10.639 -5.432 1.00 0.00 N ATOM 199 CA GLY A 14 -4.310 -11.176 -4.147 1.00 0.00 C ATOM 200 C GLY A 14 -4.084 -10.207 -2.999 1.00 0.00 C ATOM 201 O GLY A 14 -3.855 -10.633 -1.867 1.00 0.00 O ATOM 0 H GLY A 14 -2.894 -10.457 -5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.367 -11.436 -4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.763 -12.098 -3.950 1.00 0.00 H new ATOM 205 N CYS A 15 -4.146 -8.903 -3.285 1.00 0.00 N ATOM 206 CA CYS A 15 -3.945 -7.886 -2.255 1.00 0.00 C ATOM 207 C CYS A 15 -5.238 -7.118 -1.957 1.00 0.00 C ATOM 208 O CYS A 15 -5.291 -6.334 -1.011 1.00 0.00 O ATOM 209 CB CYS A 15 -2.838 -6.917 -2.677 1.00 0.00 C ATOM 210 SG CYS A 15 -1.541 -6.705 -1.435 1.00 0.00 S ATOM 0 H CYS A 15 -4.333 -8.531 -4.216 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.645 -8.396 -1.340 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.387 -7.276 -3.602 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.282 -5.946 -2.895 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.618 -5.511 -0.927 1.00 0.00 H new ATOM 216 N GLU A 16 -6.279 -7.349 -2.759 1.00 0.00 N ATOM 217 CA GLU A 16 -7.562 -6.682 -2.562 1.00 0.00 C ATOM 218 C GLU A 16 -8.501 -7.539 -1.707 1.00 0.00 C ATOM 219 O GLU A 16 -9.399 -7.016 -1.047 1.00 0.00 O ATOM 220 CB GLU A 16 -8.206 -6.357 -3.914 1.00 0.00 C ATOM 221 CG GLU A 16 -8.563 -7.580 -4.745 1.00 0.00 C ATOM 222 CD GLU A 16 -8.873 -7.222 -6.184 1.00 0.00 C ATOM 223 OE1 GLU A 16 -10.006 -6.774 -6.451 1.00 0.00 O ATOM 224 OE2 GLU A 16 -7.979 -7.386 -7.041 1.00 0.00 O ATOM 0 H GLU A 16 -6.256 -7.993 -3.550 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.383 -5.748 -2.029 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.110 -5.772 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.524 -5.729 -4.487 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.736 -8.289 -4.719 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.425 -8.079 -4.302 1.00 0.00 H new ATOM 231 N LEU A 17 -8.281 -8.859 -1.724 1.00 0.00 N ATOM 232 CA LEU A 17 -9.102 -9.793 -0.955 1.00 0.00 C ATOM 233 C LEU A 17 -8.830 -9.709 0.555 1.00 0.00 C ATOM 234 O LEU A 17 -9.540 -10.335 1.342 1.00 0.00 O ATOM 235 CB LEU A 17 -8.865 -11.223 -1.450 1.00 0.00 C ATOM 236 CG LEU A 17 -9.331 -11.498 -2.884 1.00 0.00 C ATOM 237 CD1 LEU A 17 -8.164 -11.949 -3.751 1.00 0.00 C ATOM 238 CD2 LEU A 17 -10.438 -12.543 -2.893 1.00 0.00 C ATOM 0 H LEU A 17 -7.538 -9.302 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.144 -9.513 -1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.800 -11.443 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.377 -11.913 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.727 -10.571 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.516 -12.139 -4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.403 -11.169 -3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.736 -12.863 -3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.757 -12.726 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.066 -13.471 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.284 -12.182 -2.309 1.00 0.00 H new ATOM 250 N LEU A 18 -7.813 -8.937 0.964 1.00 0.00 N ATOM 251 CA LEU A 18 -7.486 -8.794 2.389 1.00 0.00 C ATOM 252 C LEU A 18 -8.318 -7.692 3.060 1.00 0.00 C ATOM 253 O LEU A 18 -8.011 -7.269 4.177 1.00 0.00 O ATOM 254 CB LEU A 18 -5.989 -8.516 2.584 1.00 0.00 C ATOM 255 CG LEU A 18 -5.445 -7.263 1.890 1.00 0.00 C ATOM 256 CD1 LEU A 18 -5.461 -6.072 2.840 1.00 0.00 C ATOM 257 CD2 LEU A 18 -4.036 -7.516 1.371 1.00 0.00 C ATOM 0 H LEU A 18 -7.209 -8.407 0.336 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.735 -9.741 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.791 -8.431 3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.429 -9.379 2.224 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.090 -7.030 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.071 -5.193 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.484 -5.879 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.840 -6.291 3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.662 -6.617 0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.382 -7.773 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.054 -8.339 0.656 1.00 0.00 H new ATOM 269 N PHE A 19 -9.374 -7.233 2.386 1.00 0.00 N ATOM 270 CA PHE A 19 -10.243 -6.195 2.929 1.00 0.00 C ATOM 271 C PHE A 19 -11.682 -6.443 2.498 1.00 0.00 C ATOM 272 O PHE A 19 -12.555 -6.705 3.327 1.00 0.00 O ATOM 273 CB PHE A 19 -9.774 -4.810 2.465 1.00 0.00 C ATOM 274 CG PHE A 19 -10.402 -3.671 3.218 1.00 0.00 C ATOM 275 CD1 PHE A 19 -11.609 -3.131 2.805 1.00 0.00 C ATOM 276 CD2 PHE A 19 -9.780 -3.136 4.335 1.00 0.00 C ATOM 277 CE1 PHE A 19 -12.183 -2.079 3.490 1.00 0.00 C ATOM 278 CE2 PHE A 19 -10.351 -2.085 5.026 1.00 0.00 C ATOM 279 CZ PHE A 19 -11.554 -1.556 4.602 1.00 0.00 C ATOM 0 H PHE A 19 -9.646 -7.567 1.461 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.193 -6.227 4.017 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.691 -4.750 2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.997 -4.698 1.404 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.107 -3.538 1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -8.838 -3.545 4.669 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -13.123 -1.665 3.156 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.858 -1.678 5.896 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.002 -0.734 5.140 1.00 0.00 H new ATOM 289 N ALA A 20 -11.913 -6.367 1.191 1.00 0.00 N ATOM 290 CA ALA A 20 -13.236 -6.590 0.624 1.00 0.00 C ATOM 291 C ALA A 20 -13.180 -6.546 -0.904 1.00 0.00 C ATOM 292 O ALA A 20 -14.081 -6.009 -1.555 1.00 0.00 O ATOM 293 CB ALA A 20 -14.213 -5.550 1.164 1.00 0.00 C ATOM 0 H ALA A 20 -11.194 -6.151 0.501 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.585 -7.580 0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -15.201 -5.722 0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -14.268 -5.632 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.869 -4.552 0.893 1.00 0.00 H new ATOM 299 N LYS A 21 -12.100 -7.110 -1.467 1.00 0.00 N ATOM 300 CA LYS A 21 -11.897 -7.133 -2.913 1.00 0.00 C ATOM 301 C LYS A 21 -12.058 -5.729 -3.495 1.00 0.00 C ATOM 302 O LYS A 21 -12.647 -5.545 -4.562 1.00 0.00 O ATOM 303 CB LYS A 21 -12.868 -8.114 -3.579 1.00 0.00 C ATOM 304 CG LYS A 21 -12.915 -9.478 -2.902 1.00 0.00 C ATOM 305 CD LYS A 21 -14.031 -9.552 -1.873 1.00 0.00 C ATOM 306 CE LYS A 21 -14.704 -10.915 -1.867 1.00 0.00 C ATOM 307 NZ LYS A 21 -15.637 -11.072 -0.715 1.00 0.00 N ATOM 0 H LYS A 21 -11.354 -7.557 -0.934 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.881 -7.473 -3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.868 -7.681 -3.576 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.581 -8.245 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.060 -10.254 -3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.959 -9.678 -2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.627 -9.342 -0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.772 -8.782 -2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.252 -11.053 -2.799 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.943 -11.695 -1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.075 -12.015 -0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.110 -10.966 0.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.378 -10.344 -0.767 1.00 0.00 H new ATOM 321 N GLN A 22 -11.527 -4.742 -2.773 1.00 0.00 N ATOM 322 CA GLN A 22 -11.598 -3.347 -3.191 1.00 0.00 C ATOM 323 C GLN A 22 -10.766 -3.112 -4.449 1.00 0.00 C ATOM 324 O GLN A 22 -10.029 -3.996 -4.893 1.00 0.00 O ATOM 325 CB GLN A 22 -11.113 -2.435 -2.059 1.00 0.00 C ATOM 326 CG GLN A 22 -9.633 -2.592 -1.741 1.00 0.00 C ATOM 327 CD GLN A 22 -9.203 -1.774 -0.539 1.00 0.00 C ATOM 328 OE1 GLN A 22 -9.579 -0.612 -0.402 1.00 0.00 O ATOM 329 NE2 GLN A 22 -8.406 -2.377 0.337 1.00 0.00 N ATOM 0 H GLN A 22 -11.040 -4.888 -1.889 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.637 -3.110 -3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.310 -1.398 -2.330 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.693 -2.645 -1.161 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.415 -3.644 -1.556 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.045 -2.292 -2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.118 -3.344 0.184 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.082 -1.873 1.163 1.00 0.00 H new ATOM 338 N THR A 23 -10.882 -1.917 -5.023 1.00 0.00 N ATOM 339 CA THR A 23 -10.137 -1.579 -6.228 1.00 0.00 C ATOM 340 C THR A 23 -9.117 -0.475 -5.950 1.00 0.00 C ATOM 341 O THR A 23 -7.934 -0.759 -5.768 1.00 0.00 O ATOM 342 CB THR A 23 -11.101 -1.171 -7.351 1.00 0.00 C ATOM 343 OG1 THR A 23 -11.923 -0.089 -6.943 1.00 0.00 O ATOM 344 CG2 THR A 23 -12.017 -2.297 -7.794 1.00 0.00 C ATOM 0 H THR A 23 -11.483 -1.171 -4.673 1.00 0.00 H new ATOM 0 HA THR A 23 -9.586 -2.462 -6.552 1.00 0.00 H new ATOM 0 HB THR A 23 -10.462 -0.889 -8.188 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.528 0.156 -7.674 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.672 -1.942 -8.589 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.418 -3.130 -8.162 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.620 -2.630 -6.949 1.00 0.00 H new ATOM 352 N SER A 24 -9.576 0.778 -5.913 1.00 0.00 N ATOM 353 CA SER A 24 -8.694 1.916 -5.652 1.00 0.00 C ATOM 354 C SER A 24 -9.293 2.858 -4.610 1.00 0.00 C ATOM 355 O SER A 24 -10.512 2.912 -4.433 1.00 0.00 O ATOM 356 CB SER A 24 -8.411 2.682 -6.948 1.00 0.00 C ATOM 357 OG SER A 24 -9.582 3.320 -7.435 1.00 0.00 O ATOM 0 H SER A 24 -10.553 1.029 -6.061 1.00 0.00 H new ATOM 0 HA SER A 24 -7.757 1.524 -5.256 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.635 3.427 -6.771 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.027 1.995 -7.703 1.00 0.00 H new ATOM 0 HG SER A 24 -9.372 3.803 -8.262 1.00 0.00 H new ATOM 363 N LEU A 25 -8.424 3.597 -3.921 1.00 0.00 N ATOM 364 CA LEU A 25 -8.862 4.540 -2.890 1.00 0.00 C ATOM 365 C LEU A 25 -8.198 5.905 -3.072 1.00 0.00 C ATOM 366 O LEU A 25 -7.170 6.024 -3.745 1.00 0.00 O ATOM 367 CB LEU A 25 -8.550 3.998 -1.489 1.00 0.00 C ATOM 368 CG LEU A 25 -8.829 2.505 -1.281 1.00 0.00 C ATOM 369 CD1 LEU A 25 -7.576 1.793 -0.788 1.00 0.00 C ATOM 370 CD2 LEU A 25 -9.977 2.307 -0.300 1.00 0.00 C ATOM 0 H LEU A 25 -7.414 3.562 -4.057 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.940 4.660 -2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.499 4.187 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.133 4.563 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.118 2.072 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.792 0.734 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.780 1.905 -1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.258 2.229 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.160 1.241 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.717 2.755 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.876 2.783 -0.691 1.00 0.00 H new ATOM 382 N GLN A 26 -8.795 6.931 -2.463 1.00 0.00 N ATOM 383 CA GLN A 26 -8.271 8.290 -2.549 1.00 0.00 C ATOM 384 C GLN A 26 -8.184 8.933 -1.165 1.00 0.00 C ATOM 385 O GLN A 26 -9.190 9.065 -0.466 1.00 0.00 O ATOM 386 CB GLN A 26 -9.147 9.146 -3.469 1.00 0.00 C ATOM 387 CG GLN A 26 -8.356 9.915 -4.513 1.00 0.00 C ATOM 388 CD GLN A 26 -9.240 10.533 -5.581 1.00 0.00 C ATOM 389 OE1 GLN A 26 -9.963 11.495 -5.325 1.00 0.00 O ATOM 390 NE2 GLN A 26 -9.187 9.983 -6.790 1.00 0.00 N ATOM 0 H GLN A 26 -9.644 6.843 -1.904 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.266 8.235 -2.967 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.869 8.503 -3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.716 9.851 -2.863 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.783 10.701 -4.022 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.638 9.245 -4.985 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.574 9.186 -6.961 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.759 10.358 -7.546 1.00 0.00 H new ATOM 399 N LEU A 27 -6.971 9.331 -0.783 1.00 0.00 N ATOM 400 CA LEU A 27 -6.740 9.967 0.512 1.00 0.00 C ATOM 401 C LEU A 27 -6.589 11.478 0.353 1.00 0.00 C ATOM 402 O LEU A 27 -5.988 11.951 -0.616 1.00 0.00 O ATOM 403 CB LEU A 27 -5.491 9.380 1.180 1.00 0.00 C ATOM 404 CG LEU A 27 -5.519 7.865 1.401 1.00 0.00 C ATOM 405 CD1 LEU A 27 -4.111 7.322 1.606 1.00 0.00 C ATOM 406 CD2 LEU A 27 -6.406 7.512 2.587 1.00 0.00 C ATOM 0 H LEU A 27 -6.132 9.224 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.604 9.771 1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.623 9.626 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.351 9.869 2.144 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.937 7.400 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.156 6.244 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.506 7.537 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.662 7.796 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.413 6.431 2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.020 7.992 3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.422 7.859 2.398 1.00 0.00 H new ATOM 504 N THR A 35 5.492 11.696 5.678 1.00 0.00 N ATOM 505 CA THR A 35 5.088 10.292 5.727 1.00 0.00 C ATOM 506 C THR A 35 5.732 9.502 4.590 1.00 0.00 C ATOM 507 O THR A 35 5.849 9.995 3.464 1.00 0.00 O ATOM 508 CB THR A 35 3.559 10.171 5.662 1.00 0.00 C ATOM 509 OG1 THR A 35 2.953 10.896 6.718 1.00 0.00 O ATOM 510 CG2 THR A 35 3.056 8.743 5.741 1.00 0.00 C ATOM 0 HA THR A 35 5.431 9.872 6.673 1.00 0.00 H new ATOM 0 HB THR A 35 3.285 10.578 4.689 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.541 11.632 6.989 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.967 8.737 5.689 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.462 8.168 4.909 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.377 8.296 6.682 1.00 0.00 H new ATOM 518 N ASN A 36 6.147 8.276 4.896 1.00 0.00 N ATOM 519 CA ASN A 36 6.787 7.401 3.915 1.00 0.00 C ATOM 520 C ASN A 36 5.946 6.143 3.671 1.00 0.00 C ATOM 521 O ASN A 36 4.842 6.012 4.206 1.00 0.00 O ATOM 522 CB ASN A 36 8.191 7.013 4.398 1.00 0.00 C ATOM 523 CG ASN A 36 8.179 6.346 5.767 1.00 0.00 C ATOM 524 OD1 ASN A 36 7.145 5.864 6.230 1.00 0.00 O ATOM 525 ND2 ASN A 36 9.333 6.313 6.423 1.00 0.00 N ATOM 0 H ASN A 36 6.051 7.862 5.823 1.00 0.00 H new ATOM 0 HA ASN A 36 6.869 7.943 2.973 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.646 6.338 3.674 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.816 7.905 4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.384 5.877 7.344 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.169 6.723 6.006 1.00 0.00 H new ATOM 532 N LEU A 37 6.479 5.215 2.870 1.00 0.00 N ATOM 533 CA LEU A 37 5.781 3.966 2.569 1.00 0.00 C ATOM 534 C LEU A 37 5.463 3.197 3.845 1.00 0.00 C ATOM 535 O LEU A 37 4.365 2.663 3.991 1.00 0.00 O ATOM 536 CB LEU A 37 6.623 3.096 1.634 1.00 0.00 C ATOM 537 CG LEU A 37 5.884 1.908 1.018 1.00 0.00 C ATOM 538 CD1 LEU A 37 6.270 1.749 -0.444 1.00 0.00 C ATOM 539 CD2 LEU A 37 6.171 0.628 1.790 1.00 0.00 C ATOM 0 H LEU A 37 7.390 5.307 2.420 1.00 0.00 H new ATOM 0 HA LEU A 37 4.843 4.217 2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.009 3.722 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.484 2.722 2.188 1.00 0.00 H new ATOM 0 HG LEU A 37 4.813 2.103 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.737 0.900 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.006 2.655 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.344 1.579 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.633 -0.202 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.241 0.423 1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.844 0.745 2.823 1.00 0.00 H new ATOM 551 N ASN A 38 6.424 3.164 4.771 1.00 0.00 N ATOM 552 CA ASN A 38 6.242 2.481 6.048 1.00 0.00 C ATOM 553 C ASN A 38 4.951 2.950 6.719 1.00 0.00 C ATOM 554 O ASN A 38 4.184 2.141 7.243 1.00 0.00 O ATOM 555 CB ASN A 38 7.444 2.748 6.965 1.00 0.00 C ATOM 556 CG ASN A 38 7.366 1.994 8.278 1.00 0.00 C ATOM 557 OD1 ASN A 38 7.961 0.930 8.427 1.00 0.00 O ATOM 558 ND2 ASN A 38 6.634 2.542 9.242 1.00 0.00 N ATOM 0 H ASN A 38 7.337 3.604 4.657 1.00 0.00 H new ATOM 0 HA ASN A 38 6.171 1.409 5.866 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.360 2.468 6.445 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.508 3.817 7.169 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.551 2.077 10.146 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.155 3.428 9.078 1.00 0.00 H new ATOM 565 N GLY A 39 4.722 4.264 6.676 1.00 0.00 N ATOM 566 CA GLY A 39 3.526 4.843 7.260 1.00 0.00 C ATOM 567 C GLY A 39 2.280 4.559 6.438 1.00 0.00 C ATOM 568 O GLY A 39 1.187 4.443 6.993 1.00 0.00 O ATOM 0 H GLY A 39 5.351 4.940 6.243 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.390 4.449 8.267 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.657 5.921 7.354 1.00 0.00 H new ATOM 572 N LEU A 40 2.442 4.443 5.112 1.00 0.00 N ATOM 573 CA LEU A 40 1.313 4.165 4.222 1.00 0.00 C ATOM 574 C LEU A 40 0.814 2.730 4.403 1.00 0.00 C ATOM 575 O LEU A 40 -0.359 2.511 4.708 1.00 0.00 O ATOM 576 CB LEU A 40 1.712 4.403 2.758 1.00 0.00 C ATOM 577 CG LEU A 40 0.553 4.598 1.770 1.00 0.00 C ATOM 578 CD1 LEU A 40 -0.230 3.306 1.583 1.00 0.00 C ATOM 579 CD2 LEU A 40 -0.372 5.719 2.231 1.00 0.00 C ATOM 0 H LEU A 40 3.340 4.537 4.637 1.00 0.00 H new ATOM 0 HA LEU A 40 0.503 4.846 4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.353 5.284 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.311 3.556 2.423 1.00 0.00 H new ATOM 0 HG LEU A 40 0.981 4.879 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.045 3.473 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.432 2.532 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.639 2.986 2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.185 5.838 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.784 5.472 3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.191 6.650 2.299 1.00 0.00 H new ATOM 591 N VAL A 41 1.711 1.755 4.219 1.00 0.00 N ATOM 592 CA VAL A 41 1.348 0.346 4.367 1.00 0.00 C ATOM 593 C VAL A 41 0.772 0.063 5.751 1.00 0.00 C ATOM 594 O VAL A 41 -0.342 -0.443 5.869 1.00 0.00 O ATOM 595 CB VAL A 41 2.539 -0.608 4.114 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.673 -0.903 2.626 1.00 0.00 C ATOM 597 CG2 VAL A 41 3.844 -0.049 4.676 1.00 0.00 C ATOM 0 H VAL A 41 2.687 1.916 3.969 1.00 0.00 H new ATOM 0 HA VAL A 41 0.590 0.155 3.607 1.00 0.00 H new ATOM 0 HB VAL A 41 2.335 -1.540 4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.515 -1.576 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.758 -1.373 2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.842 0.028 2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.655 -0.749 4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.065 0.907 4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.745 0.095 5.752 1.00 0.00 H new ATOM 607 N GLN A 42 1.535 0.395 6.793 1.00 0.00 N ATOM 608 CA GLN A 42 1.097 0.180 8.176 1.00 0.00 C ATOM 609 C GLN A 42 -0.299 0.758 8.425 1.00 0.00 C ATOM 610 O GLN A 42 -1.046 0.244 9.257 1.00 0.00 O ATOM 611 CB GLN A 42 2.100 0.793 9.160 1.00 0.00 C ATOM 612 CG GLN A 42 2.202 0.036 10.475 1.00 0.00 C ATOM 613 CD GLN A 42 1.903 0.909 11.679 1.00 0.00 C ATOM 614 OE1 GLN A 42 0.744 1.205 11.968 1.00 0.00 O ATOM 615 NE2 GLN A 42 2.947 1.327 12.388 1.00 0.00 N ATOM 0 H GLN A 42 2.461 0.814 6.707 1.00 0.00 H new ATOM 0 HA GLN A 42 1.049 -0.897 8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.084 0.824 8.691 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.812 1.824 9.365 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.508 -0.805 10.460 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.205 -0.380 10.573 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.891 1.058 12.113 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.804 1.917 13.207 1.00 0.00 H new ATOM 624 N LEU A 43 -0.647 1.822 7.697 1.00 0.00 N ATOM 625 CA LEU A 43 -1.955 2.462 7.839 1.00 0.00 C ATOM 626 C LEU A 43 -3.074 1.573 7.287 1.00 0.00 C ATOM 627 O LEU A 43 -4.183 1.577 7.814 1.00 0.00 O ATOM 628 CB LEU A 43 -1.965 3.819 7.128 1.00 0.00 C ATOM 629 CG LEU A 43 -3.093 4.772 7.539 1.00 0.00 C ATOM 630 CD1 LEU A 43 -2.530 6.130 7.933 1.00 0.00 C ATOM 631 CD2 LEU A 43 -4.104 4.927 6.408 1.00 0.00 C ATOM 0 H LEU A 43 -0.040 2.258 7.003 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.136 2.614 8.903 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.011 4.313 7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.033 3.646 6.054 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.602 4.344 8.403 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.346 6.792 8.221 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.846 6.010 8.773 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.994 6.561 7.087 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.897 5.607 6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.605 5.330 5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.534 3.954 6.168 1.00 0.00 H new ATOM 643 N LEU A 44 -2.783 0.821 6.220 1.00 0.00 N ATOM 644 CA LEU A 44 -3.779 -0.062 5.609 1.00 0.00 C ATOM 645 C LEU A 44 -3.654 -1.512 6.096 1.00 0.00 C ATOM 646 O LEU A 44 -4.626 -2.265 6.050 1.00 0.00 O ATOM 647 CB LEU A 44 -3.685 -0.012 4.076 1.00 0.00 C ATOM 648 CG LEU A 44 -2.351 -0.464 3.469 1.00 0.00 C ATOM 649 CD1 LEU A 44 -2.239 -1.983 3.469 1.00 0.00 C ATOM 650 CD2 LEU A 44 -2.206 0.081 2.055 1.00 0.00 C ATOM 0 H LEU A 44 -1.870 0.807 5.764 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.756 0.306 5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.479 -0.634 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.881 1.011 3.753 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.543 -0.067 4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.284 -2.277 3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.300 -2.352 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.052 -2.408 2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.255 -0.247 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.023 -0.290 1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.236 1.170 2.080 1.00 0.00 H new ATOM 662 N LYS A 45 -2.461 -1.909 6.537 1.00 0.00 N ATOM 663 CA LYS A 45 -2.234 -3.280 7.002 1.00 0.00 C ATOM 664 C LYS A 45 -2.430 -3.419 8.514 1.00 0.00 C ATOM 665 O LYS A 45 -2.854 -4.470 8.992 1.00 0.00 O ATOM 666 CB LYS A 45 -0.828 -3.748 6.614 1.00 0.00 C ATOM 667 CG LYS A 45 0.295 -2.963 7.274 1.00 0.00 C ATOM 668 CD LYS A 45 1.460 -3.859 7.653 1.00 0.00 C ATOM 669 CE LYS A 45 2.745 -3.424 6.963 1.00 0.00 C ATOM 670 NZ LYS A 45 3.506 -2.427 7.767 1.00 0.00 N ATOM 0 H LYS A 45 -1.640 -1.306 6.583 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.977 -3.911 6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.723 -4.801 6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.719 -3.676 5.532 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.641 -2.183 6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.085 -2.464 8.165 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.601 -3.837 8.734 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.231 -4.890 7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.372 -4.297 6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.506 -2.997 5.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.347 -2.122 7.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.901 -1.604 7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.802 -2.859 8.666 1.00 0.00 H new ATOM 684 N THR A 46 -2.103 -2.369 9.262 1.00 0.00 N ATOM 685 CA THR A 46 -2.234 -2.392 10.718 1.00 0.00 C ATOM 686 C THR A 46 -3.387 -1.508 11.203 1.00 0.00 C ATOM 687 O THR A 46 -3.939 -1.742 12.281 1.00 0.00 O ATOM 688 CB THR A 46 -0.920 -1.946 11.371 1.00 0.00 C ATOM 689 OG1 THR A 46 0.189 -2.576 10.746 1.00 0.00 O ATOM 690 CG2 THR A 46 -0.846 -2.258 12.851 1.00 0.00 C ATOM 0 H THR A 46 -1.745 -1.491 8.885 1.00 0.00 H new ATOM 0 HA THR A 46 -2.459 -3.417 11.012 1.00 0.00 H new ATOM 0 HB THR A 46 -0.889 -0.864 11.243 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.945 -2.601 11.369 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.110 -1.915 13.248 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.658 -1.750 13.371 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.936 -3.334 13.001 1.00 0.00 H new ATOM 698 N ASN A 47 -3.740 -0.485 10.422 1.00 0.00 N ATOM 699 CA ASN A 47 -4.814 0.436 10.805 1.00 0.00 C ATOM 700 C ASN A 47 -6.075 0.277 9.944 1.00 0.00 C ATOM 701 O ASN A 47 -7.162 0.663 10.371 1.00 0.00 O ATOM 702 CB ASN A 47 -4.319 1.885 10.732 1.00 0.00 C ATOM 703 CG ASN A 47 -3.705 2.356 12.036 1.00 0.00 C ATOM 704 OD1 ASN A 47 -4.273 3.195 12.733 1.00 0.00 O ATOM 705 ND2 ASN A 47 -2.536 1.819 12.376 1.00 0.00 N ATOM 0 H ASN A 47 -3.301 -0.273 9.526 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.090 0.185 11.829 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -3.582 1.974 9.934 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -5.152 2.537 10.470 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.078 2.101 13.243 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.098 1.126 11.770 1.00 0.00 H new ATOM 712 N TYR A 48 -5.939 -0.276 8.734 1.00 0.00 N ATOM 713 CA TYR A 48 -7.095 -0.451 7.847 1.00 0.00 C ATOM 714 C TYR A 48 -7.132 -1.852 7.228 1.00 0.00 C ATOM 715 O TYR A 48 -7.472 -2.012 6.054 1.00 0.00 O ATOM 716 CB TYR A 48 -7.080 0.617 6.744 1.00 0.00 C ATOM 717 CG TYR A 48 -8.319 1.488 6.723 1.00 0.00 C ATOM 718 CD1 TYR A 48 -8.387 2.651 7.481 1.00 0.00 C ATOM 719 CD2 TYR A 48 -9.417 1.149 5.942 1.00 0.00 C ATOM 720 CE1 TYR A 48 -9.516 3.450 7.461 1.00 0.00 C ATOM 721 CE2 TYR A 48 -10.548 1.944 5.918 1.00 0.00 C ATOM 722 CZ TYR A 48 -10.592 3.092 6.679 1.00 0.00 C ATOM 723 OH TYR A 48 -11.718 3.883 6.659 1.00 0.00 O ATOM 0 H TYR A 48 -5.054 -0.606 8.350 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.995 -0.335 8.450 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.203 1.251 6.876 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.975 0.126 5.776 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.545 2.935 8.095 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.387 0.250 5.344 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.554 4.351 8.056 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.393 1.666 5.306 1.00 0.00 H new ATOM 0 HH TYR A 48 -12.383 3.490 6.056 1.00 0.00 H new ATOM 733 N VAL A 49 -6.793 -2.864 8.026 1.00 0.00 N ATOM 734 CA VAL A 49 -6.797 -4.247 7.554 1.00 0.00 C ATOM 735 C VAL A 49 -8.087 -4.962 7.970 1.00 0.00 C ATOM 736 O VAL A 49 -8.616 -4.729 9.059 1.00 0.00 O ATOM 737 CB VAL A 49 -5.570 -5.026 8.083 1.00 0.00 C ATOM 738 CG1 VAL A 49 -5.569 -5.080 9.607 1.00 0.00 C ATOM 739 CG2 VAL A 49 -5.512 -6.426 7.485 1.00 0.00 C ATOM 0 H VAL A 49 -6.513 -2.752 9.000 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.744 -4.219 6.466 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.674 -4.491 7.769 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.695 -5.634 9.951 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.537 -4.067 10.007 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.474 -5.579 9.954 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.640 -6.952 7.874 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.415 -6.974 7.753 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.439 -6.355 6.400 1.00 0.00 H new ATOM 749 N LYS A 50 -8.590 -5.826 7.087 1.00 0.00 N ATOM 750 CA LYS A 50 -9.820 -6.571 7.354 1.00 0.00 C ATOM 751 C LYS A 50 -9.647 -8.064 7.050 1.00 0.00 C ATOM 752 O LYS A 50 -10.611 -8.755 6.723 1.00 0.00 O ATOM 753 CB LYS A 50 -10.972 -5.995 6.523 1.00 0.00 C ATOM 754 CG LYS A 50 -11.967 -5.196 7.346 1.00 0.00 C ATOM 755 CD LYS A 50 -13.400 -5.605 7.040 1.00 0.00 C ATOM 756 CE LYS A 50 -14.304 -5.433 8.252 1.00 0.00 C ATOM 757 NZ LYS A 50 -15.206 -6.605 8.454 1.00 0.00 N ATOM 0 H LYS A 50 -8.165 -6.027 6.182 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.052 -6.469 8.414 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.562 -5.356 5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.495 -6.812 6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.764 -5.343 8.407 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.839 -4.133 7.141 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.781 -5.005 6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.420 -6.645 6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.692 -5.290 9.142 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.904 -4.531 8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.803 -6.444 9.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.810 -6.727 7.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.635 -7.462 8.597 1.00 0.00 H new ATOM 771 N GLU A 51 -8.412 -8.555 7.169 1.00 0.00 N ATOM 772 CA GLU A 51 -8.105 -9.962 6.916 1.00 0.00 C ATOM 773 C GLU A 51 -6.825 -10.373 7.651 1.00 0.00 C ATOM 774 O GLU A 51 -6.343 -9.640 8.516 1.00 0.00 O ATOM 775 CB GLU A 51 -7.958 -10.206 5.410 1.00 0.00 C ATOM 776 CG GLU A 51 -8.652 -11.466 4.917 1.00 0.00 C ATOM 777 CD GLU A 51 -10.163 -11.372 5.019 1.00 0.00 C ATOM 778 OE1 GLU A 51 -10.765 -10.617 4.226 1.00 0.00 O ATOM 779 OE2 GLU A 51 -10.743 -12.051 5.893 1.00 0.00 O ATOM 0 H GLU A 51 -7.604 -7.994 7.441 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.927 -10.571 7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.361 -9.348 4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.898 -10.268 5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.371 -11.650 3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.304 -12.320 5.498 1.00 0.00 H new ATOM 786 N ARG A 52 -6.276 -11.542 7.304 1.00 0.00 N ATOM 787 CA ARG A 52 -5.050 -12.035 7.935 1.00 0.00 C ATOM 788 C ARG A 52 -3.905 -11.035 7.758 1.00 0.00 C ATOM 789 O ARG A 52 -3.410 -10.848 6.647 1.00 0.00 O ATOM 790 CB ARG A 52 -4.646 -13.390 7.340 1.00 0.00 C ATOM 791 CG ARG A 52 -4.955 -14.575 8.243 1.00 0.00 C ATOM 792 CD ARG A 52 -6.045 -15.459 7.652 1.00 0.00 C ATOM 793 NE ARG A 52 -6.668 -16.313 8.664 1.00 0.00 N ATOM 794 CZ ARG A 52 -7.377 -17.410 8.386 1.00 0.00 C ATOM 795 NH1 ARG A 52 -7.562 -17.793 7.124 1.00 0.00 N ATOM 796 NH2 ARG A 52 -7.903 -18.127 9.374 1.00 0.00 N ATOM 0 H ARG A 52 -6.661 -12.162 6.591 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.249 -12.157 9.000 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.161 -13.526 6.389 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.577 -13.378 7.125 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.050 -15.164 8.395 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.269 -14.215 9.223 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.807 -14.833 7.187 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.620 -16.081 6.865 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.553 -16.054 9.644 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.161 -17.247 6.361 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.105 -18.632 6.920 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.765 -17.839 10.343 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.445 -18.965 9.163 1.00 0.00 H new ATOM 810 N PRO A 53 -3.456 -10.381 8.849 1.00 0.00 N ATOM 811 CA PRO A 53 -2.356 -9.410 8.781 1.00 0.00 C ATOM 812 C PRO A 53 -1.064 -10.036 8.253 1.00 0.00 C ATOM 813 O PRO A 53 -0.215 -9.340 7.695 1.00 0.00 O ATOM 814 CB PRO A 53 -2.172 -8.953 10.234 1.00 0.00 C ATOM 815 CG PRO A 53 -2.848 -9.992 11.064 1.00 0.00 C ATOM 816 CD PRO A 53 -3.966 -10.537 10.221 1.00 0.00 C ATOM 0 HA PRO A 53 -2.584 -8.593 8.096 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.116 -8.872 10.490 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.616 -7.971 10.396 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.151 -10.782 11.344 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.232 -9.563 11.990 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.177 -11.580 10.457 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.892 -9.983 10.372 1.00 0.00 H new ATOM 824 N ASP A 54 -0.923 -11.352 8.440 1.00 0.00 N ATOM 825 CA ASP A 54 0.267 -12.071 7.990 1.00 0.00 C ATOM 826 C ASP A 54 0.111 -12.614 6.566 1.00 0.00 C ATOM 827 O ASP A 54 0.976 -13.348 6.086 1.00 0.00 O ATOM 828 CB ASP A 54 0.585 -13.220 8.953 1.00 0.00 C ATOM 829 CG ASP A 54 0.798 -12.743 10.378 1.00 0.00 C ATOM 830 OD1 ASP A 54 -0.207 -12.548 11.096 1.00 0.00 O ATOM 831 OD2 ASP A 54 1.968 -12.564 10.774 1.00 0.00 O ATOM 0 H ASP A 54 -1.619 -11.938 8.900 1.00 0.00 H new ATOM 0 HA ASP A 54 1.092 -11.358 7.982 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.231 -13.942 8.933 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.479 -13.740 8.610 1.00 0.00 H new ATOM 836 N LEU A 55 -0.982 -12.254 5.885 1.00 0.00 N ATOM 837 CA LEU A 55 -1.208 -12.718 4.515 1.00 0.00 C ATOM 838 C LEU A 55 -0.586 -11.758 3.493 1.00 0.00 C ATOM 839 O LEU A 55 -0.414 -12.121 2.328 1.00 0.00 O ATOM 840 CB LEU A 55 -2.709 -12.906 4.237 1.00 0.00 C ATOM 841 CG LEU A 55 -3.500 -11.636 3.898 1.00 0.00 C ATOM 842 CD1 LEU A 55 -3.409 -11.323 2.414 1.00 0.00 C ATOM 843 CD2 LEU A 55 -4.953 -11.791 4.319 1.00 0.00 C ATOM 0 H LEU A 55 -1.715 -11.650 6.256 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.717 -13.686 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.819 -13.609 3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.164 -13.369 5.112 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.063 -10.803 4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.977 -10.419 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.366 -11.171 2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.819 -12.155 1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.502 -10.882 4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.396 -12.637 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.004 -11.965 5.394 1.00 0.00 H new ATOM 855 N LEU A 56 -0.245 -10.540 3.931 1.00 0.00 N ATOM 856 CA LEU A 56 0.357 -9.549 3.043 1.00 0.00 C ATOM 857 C LEU A 56 1.780 -9.211 3.467 1.00 0.00 C ATOM 858 O LEU A 56 2.681 -9.166 2.632 1.00 0.00 O ATOM 859 CB LEU A 56 -0.472 -8.262 2.992 1.00 0.00 C ATOM 860 CG LEU A 56 -0.994 -7.739 4.338 1.00 0.00 C ATOM 861 CD1 LEU A 56 -1.300 -6.252 4.247 1.00 0.00 C ATOM 862 CD2 LEU A 56 -2.231 -8.511 4.778 1.00 0.00 C ATOM 0 H LEU A 56 -0.377 -10.222 4.891 1.00 0.00 H new ATOM 0 HA LEU A 56 0.379 -9.996 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.135 -7.481 2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.326 -8.430 2.335 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.216 -7.890 5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.669 -5.897 5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.392 -5.709 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.058 -6.083 3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.582 -8.122 5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.016 -8.398 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.982 -9.567 4.885 1.00 0.00 H new ATOM 874 N VAL A 57 1.977 -8.956 4.763 1.00 0.00 N ATOM 875 CA VAL A 57 3.296 -8.602 5.281 1.00 0.00 C ATOM 876 C VAL A 57 4.327 -9.685 4.993 1.00 0.00 C ATOM 877 O VAL A 57 4.011 -10.877 4.974 1.00 0.00 O ATOM 878 CB VAL A 57 3.276 -8.333 6.800 1.00 0.00 C ATOM 879 CG1 VAL A 57 2.476 -7.078 7.109 1.00 0.00 C ATOM 880 CG2 VAL A 57 2.732 -9.535 7.560 1.00 0.00 C ATOM 0 H VAL A 57 1.241 -8.988 5.469 1.00 0.00 H new ATOM 0 HA VAL A 57 3.577 -7.685 4.762 1.00 0.00 H new ATOM 0 HB VAL A 57 4.301 -8.170 7.132 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.473 -6.904 8.185 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.929 -6.224 6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.451 -7.204 6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.729 -9.319 8.628 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.715 -9.745 7.229 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.362 -10.403 7.367 1.00 0.00 H new ATOM 890 N ASP A 58 5.561 -9.251 4.780 1.00 0.00 N ATOM 891 CA ASP A 58 6.663 -10.165 4.498 1.00 0.00 C ATOM 892 C ASP A 58 6.974 -11.022 5.725 1.00 0.00 C ATOM 893 O ASP A 58 6.932 -12.251 5.660 1.00 0.00 O ATOM 894 CB ASP A 58 7.907 -9.378 4.065 1.00 0.00 C ATOM 895 CG ASP A 58 9.093 -10.270 3.729 1.00 0.00 C ATOM 896 OD1 ASP A 58 8.884 -11.473 3.458 1.00 0.00 O ATOM 897 OD2 ASP A 58 10.232 -9.760 3.732 1.00 0.00 O ATOM 0 H ASP A 58 5.827 -8.266 4.797 1.00 0.00 H new ATOM 0 HA ASP A 58 6.367 -10.826 3.683 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.660 -8.770 3.195 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.191 -8.692 4.863 1.00 0.00 H new ATOM 902 N GLN A 59 7.277 -10.359 6.842 1.00 0.00 N ATOM 903 CA GLN A 59 7.588 -11.053 8.093 1.00 0.00 C ATOM 904 C GLN A 59 7.695 -10.076 9.258 1.00 0.00 C ATOM 905 O GLN A 59 7.177 -10.340 10.345 1.00 0.00 O ATOM 906 CB GLN A 59 8.883 -11.860 7.961 1.00 0.00 C ATOM 907 CG GLN A 59 8.668 -13.366 7.993 1.00 0.00 C ATOM 908 CD GLN A 59 9.671 -14.121 7.140 1.00 0.00 C ATOM 909 OE1 GLN A 59 10.819 -14.314 7.538 1.00 0.00 O ATOM 910 NE2 GLN A 59 9.242 -14.553 5.959 1.00 0.00 N ATOM 0 H GLN A 59 7.314 -9.342 6.906 1.00 0.00 H new ATOM 0 HA GLN A 59 6.767 -11.740 8.299 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.375 -11.591 7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.559 -11.581 8.769 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.737 -13.717 9.023 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.660 -13.592 7.646 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.282 -14.371 5.668 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.873 -15.066 5.344 1.00 0.00 H new ATOM 919 N THR A 60 8.368 -8.949 9.032 1.00 0.00 N ATOM 920 CA THR A 60 8.536 -7.939 10.072 1.00 0.00 C ATOM 921 C THR A 60 7.306 -7.033 10.197 1.00 0.00 C ATOM 922 O THR A 60 7.339 -6.041 10.928 1.00 0.00 O ATOM 923 CB THR A 60 9.781 -7.094 9.788 1.00 0.00 C ATOM 924 OG1 THR A 60 9.719 -6.520 8.492 1.00 0.00 O ATOM 925 CG2 THR A 60 11.069 -7.883 9.881 1.00 0.00 C ATOM 0 H THR A 60 8.804 -8.714 8.140 1.00 0.00 H new ATOM 0 HA THR A 60 8.657 -8.463 11.020 1.00 0.00 H new ATOM 0 HB THR A 60 9.788 -6.322 10.558 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.523 -5.983 8.333 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.913 -7.227 9.669 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.172 -8.294 10.885 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.051 -8.697 9.156 1.00 0.00 H new ATOM 933 N GLY A 61 6.223 -7.367 9.477 1.00 0.00 N ATOM 934 CA GLY A 61 5.018 -6.557 9.526 1.00 0.00 C ATOM 935 C GLY A 61 5.281 -5.108 9.154 1.00 0.00 C ATOM 936 O GLY A 61 4.533 -4.212 9.549 1.00 0.00 O ATOM 0 H GLY A 61 6.166 -8.182 8.866 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.274 -6.975 8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.594 -6.601 10.529 1.00 0.00 H new ATOM 940 N GLN A 62 6.353 -4.884 8.393 1.00 0.00 N ATOM 941 CA GLN A 62 6.732 -3.541 7.959 1.00 0.00 C ATOM 942 C GLN A 62 6.475 -3.368 6.466 1.00 0.00 C ATOM 943 O GLN A 62 6.019 -2.314 6.024 1.00 0.00 O ATOM 944 CB GLN A 62 8.208 -3.285 8.272 1.00 0.00 C ATOM 945 CG GLN A 62 8.576 -1.813 8.352 1.00 0.00 C ATOM 946 CD GLN A 62 9.914 -1.588 9.028 1.00 0.00 C ATOM 947 OE1 GLN A 62 10.964 -1.647 8.389 1.00 0.00 O ATOM 948 NE2 GLN A 62 9.884 -1.331 10.331 1.00 0.00 N ATOM 0 H GLN A 62 6.977 -5.621 8.063 1.00 0.00 H new ATOM 0 HA GLN A 62 6.123 -2.817 8.501 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.456 -3.763 9.220 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.819 -3.761 7.505 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.605 -1.393 7.346 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.801 -1.277 8.899 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.991 -1.291 10.823 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.754 -1.174 10.840 1.00 0.00 H new ATOM 957 N THR A 63 6.764 -4.419 5.701 1.00 0.00 N ATOM 958 CA THR A 63 6.565 -4.405 4.254 1.00 0.00 C ATOM 959 C THR A 63 5.834 -5.670 3.812 1.00 0.00 C ATOM 960 O THR A 63 5.746 -6.637 4.571 1.00 0.00 O ATOM 961 CB THR A 63 7.915 -4.287 3.534 1.00 0.00 C ATOM 962 OG1 THR A 63 7.736 -4.162 2.129 1.00 0.00 O ATOM 963 CG2 THR A 63 8.843 -5.461 3.793 1.00 0.00 C ATOM 0 H THR A 63 7.139 -5.296 6.063 1.00 0.00 H new ATOM 0 HA THR A 63 5.955 -3.541 3.991 1.00 0.00 H new ATOM 0 HB THR A 63 8.379 -3.390 3.944 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.611 -4.087 1.693 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.778 -5.311 3.253 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.048 -5.534 4.861 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.370 -6.381 3.451 1.00 0.00 H new ATOM 971 N LEU A 64 5.313 -5.663 2.588 1.00 0.00 N ATOM 972 CA LEU A 64 4.596 -6.822 2.067 1.00 0.00 C ATOM 973 C LEU A 64 5.573 -7.911 1.627 1.00 0.00 C ATOM 974 O LEU A 64 6.742 -7.637 1.345 1.00 0.00 O ATOM 975 CB LEU A 64 3.693 -6.429 0.895 1.00 0.00 C ATOM 976 CG LEU A 64 2.513 -5.505 1.233 1.00 0.00 C ATOM 977 CD1 LEU A 64 1.371 -5.732 0.257 1.00 0.00 C ATOM 978 CD2 LEU A 64 2.035 -5.716 2.663 1.00 0.00 C ATOM 0 H LEU A 64 5.373 -4.875 1.944 1.00 0.00 H new ATOM 0 HA LEU A 64 3.972 -7.212 2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.306 -5.940 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.298 -7.340 0.445 1.00 0.00 H new ATOM 0 HG LEU A 64 2.858 -4.475 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.541 -5.071 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.711 -5.519 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.040 -6.769 0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.200 -5.047 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.712 -6.749 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.850 -5.503 3.354 1.00 0.00 H new ATOM 990 N ARG A 65 5.079 -9.146 1.574 1.00 0.00 N ATOM 991 CA ARG A 65 5.891 -10.297 1.172 1.00 0.00 C ATOM 992 C ARG A 65 6.412 -10.136 -0.257 1.00 0.00 C ATOM 993 O ARG A 65 5.791 -9.460 -1.079 1.00 0.00 O ATOM 994 CB ARG A 65 5.079 -11.596 1.292 1.00 0.00 C ATOM 995 CG ARG A 65 3.690 -11.522 0.669 1.00 0.00 C ATOM 996 CD ARG A 65 3.418 -12.707 -0.247 1.00 0.00 C ATOM 997 NE ARG A 65 2.886 -13.861 0.481 1.00 0.00 N ATOM 998 CZ ARG A 65 2.228 -14.872 -0.095 1.00 0.00 C ATOM 999 NH1 ARG A 65 2.019 -14.880 -1.409 1.00 0.00 N ATOM 1000 NH2 ARG A 65 1.780 -15.878 0.649 1.00 0.00 N ATOM 0 H ARG A 65 4.113 -9.378 1.806 1.00 0.00 H new ATOM 0 HA ARG A 65 6.748 -10.350 1.844 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.635 -12.405 0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.979 -11.853 2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.939 -11.493 1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.594 -10.595 0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.710 -12.410 -1.021 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.341 -12.993 -0.752 1.00 0.00 H new ATOM 0 HE ARG A 65 3.026 -13.895 1.491 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.362 -14.111 -1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.516 -15.655 -1.841 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.939 -15.877 1.657 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.278 -16.651 0.212 1.00 0.00 H new ATOM 1014 N PRO A 66 7.561 -10.771 -0.574 1.00 0.00 N ATOM 1015 CA PRO A 66 8.166 -10.708 -1.913 1.00 0.00 C ATOM 1016 C PRO A 66 7.161 -10.999 -3.025 1.00 0.00 C ATOM 1017 O PRO A 66 7.261 -10.447 -4.122 1.00 0.00 O ATOM 1018 CB PRO A 66 9.237 -11.798 -1.866 1.00 0.00 C ATOM 1019 CG PRO A 66 9.613 -11.894 -0.428 1.00 0.00 C ATOM 1020 CD PRO A 66 8.358 -11.607 0.349 1.00 0.00 C ATOM 0 HA PRO A 66 8.554 -9.714 -2.137 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.853 -12.747 -2.240 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.096 -11.536 -2.484 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.000 -12.885 -0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.397 -11.178 -0.181 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.832 -12.524 0.614 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.574 -11.083 1.280 1.00 0.00 H new ATOM 1028 N GLY A 67 6.193 -11.868 -2.725 1.00 0.00 N ATOM 1029 CA GLY A 67 5.173 -12.224 -3.696 1.00 0.00 C ATOM 1030 C GLY A 67 4.502 -11.011 -4.319 1.00 0.00 C ATOM 1031 O GLY A 67 4.145 -11.040 -5.495 1.00 0.00 O ATOM 0 H GLY A 67 6.100 -12.332 -1.821 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.623 -12.829 -4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.417 -12.843 -3.212 1.00 0.00 H new ATOM 1035 N ILE A 68 4.339 -9.943 -3.535 1.00 0.00 N ATOM 1036 CA ILE A 68 3.715 -8.718 -4.029 1.00 0.00 C ATOM 1037 C ILE A 68 4.775 -7.704 -4.449 1.00 0.00 C ATOM 1038 O ILE A 68 5.866 -7.659 -3.873 1.00 0.00 O ATOM 1039 CB ILE A 68 2.800 -8.075 -2.968 1.00 0.00 C ATOM 1040 CG1 ILE A 68 1.809 -9.100 -2.415 1.00 0.00 C ATOM 1041 CG2 ILE A 68 2.059 -6.879 -3.551 1.00 0.00 C ATOM 1042 CD1 ILE A 68 1.589 -8.968 -0.930 1.00 0.00 C ATOM 0 H ILE A 68 4.630 -9.904 -2.558 1.00 0.00 H new ATOM 0 HA ILE A 68 3.109 -8.997 -4.891 1.00 0.00 H new ATOM 0 HB ILE A 68 3.426 -7.725 -2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.854 -8.988 -2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.173 -10.104 -2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.419 -6.440 -2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.779 -6.136 -3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.448 -7.205 -4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.876 -9.723 -0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.535 -9.109 -0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.196 -7.976 -0.707 1.00 0.00 H new ATOM 1054 N LEU A 69 4.447 -6.888 -5.448 1.00 0.00 N ATOM 1055 CA LEU A 69 5.371 -5.870 -5.941 1.00 0.00 C ATOM 1056 C LEU A 69 4.802 -4.466 -5.733 1.00 0.00 C ATOM 1057 O LEU A 69 3.748 -4.126 -6.277 1.00 0.00 O ATOM 1058 CB LEU A 69 5.679 -6.107 -7.423 1.00 0.00 C ATOM 1059 CG LEU A 69 7.081 -6.646 -7.710 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.039 -7.711 -8.796 1.00 0.00 C ATOM 1061 CD2 LEU A 69 8.014 -5.513 -8.110 1.00 0.00 C ATOM 0 H LEU A 69 3.549 -6.912 -5.931 1.00 0.00 H new ATOM 0 HA LEU A 69 6.297 -5.947 -5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.947 -6.808 -7.824 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.549 -5.168 -7.961 1.00 0.00 H new ATOM 0 HG LEU A 69 7.464 -7.105 -6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.048 -8.080 -8.983 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.405 -8.536 -8.472 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.634 -7.281 -9.712 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.008 -5.914 -8.311 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.631 -5.026 -9.007 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.073 -4.787 -7.299 1.00 0.00 H new ATOM 1073 N VAL A 70 5.509 -3.654 -4.943 1.00 0.00 N ATOM 1074 CA VAL A 70 5.081 -2.282 -4.663 1.00 0.00 C ATOM 1075 C VAL A 70 5.664 -1.310 -5.684 1.00 0.00 C ATOM 1076 O VAL A 70 6.871 -1.312 -5.944 1.00 0.00 O ATOM 1077 CB VAL A 70 5.475 -1.822 -3.239 1.00 0.00 C ATOM 1078 CG1 VAL A 70 4.668 -2.570 -2.185 1.00 0.00 C ATOM 1079 CG2 VAL A 70 6.971 -1.994 -2.999 1.00 0.00 C ATOM 0 H VAL A 70 6.380 -3.923 -4.486 1.00 0.00 H new ATOM 0 HA VAL A 70 3.993 -2.279 -4.733 1.00 0.00 H new ATOM 0 HB VAL A 70 5.243 -0.760 -3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.962 -2.230 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.606 -2.376 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.858 -3.640 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.218 -1.663 -1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.239 -3.044 -3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.527 -1.398 -3.723 1.00 0.00 H new ATOM 1089 N LEU A 71 4.800 -0.480 -6.263 1.00 0.00 N ATOM 1090 CA LEU A 71 5.221 0.498 -7.264 1.00 0.00 C ATOM 1091 C LEU A 71 4.785 1.909 -6.874 1.00 0.00 C ATOM 1092 O LEU A 71 3.620 2.136 -6.547 1.00 0.00 O ATOM 1093 CB LEU A 71 4.646 0.142 -8.641 1.00 0.00 C ATOM 1094 CG LEU A 71 4.486 -1.354 -8.930 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.792 -1.568 -10.267 1.00 0.00 C ATOM 1096 CD2 LEU A 71 5.840 -2.052 -8.912 1.00 0.00 C ATOM 0 H LEU A 71 3.801 -0.465 -6.056 1.00 0.00 H new ATOM 0 HA LEU A 71 6.310 0.472 -7.313 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.671 0.618 -8.741 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.291 0.574 -9.406 1.00 0.00 H new ATOM 0 HG LEU A 71 3.866 -1.790 -8.147 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.687 -2.636 -10.456 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.805 -1.105 -10.243 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.386 -1.116 -11.062 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.705 -3.114 -9.119 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.486 -1.613 -9.673 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.299 -1.930 -7.931 1.00 0.00 H new ATOM 1108 N VAL A 72 5.728 2.851 -6.924 1.00 0.00 N ATOM 1109 CA VAL A 72 5.453 4.246 -6.591 1.00 0.00 C ATOM 1110 C VAL A 72 5.384 5.096 -7.862 1.00 0.00 C ATOM 1111 O VAL A 72 6.415 5.483 -8.416 1.00 0.00 O ATOM 1112 CB VAL A 72 6.527 4.831 -5.645 1.00 0.00 C ATOM 1113 CG1 VAL A 72 6.140 6.231 -5.182 1.00 0.00 C ATOM 1114 CG2 VAL A 72 6.753 3.916 -4.446 1.00 0.00 C ATOM 0 H VAL A 72 6.695 2.669 -7.194 1.00 0.00 H new ATOM 0 HA VAL A 72 4.491 4.271 -6.078 1.00 0.00 H new ATOM 0 HB VAL A 72 7.461 4.901 -6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.911 6.621 -4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.042 6.886 -6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.190 6.188 -4.649 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.513 4.349 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.821 3.806 -3.892 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.087 2.938 -4.793 1.00 0.00 H new ATOM 1124 N ASN A 73 4.162 5.373 -8.319 1.00 0.00 N ATOM 1125 CA ASN A 73 3.946 6.172 -9.529 1.00 0.00 C ATOM 1126 C ASN A 73 4.623 5.524 -10.741 1.00 0.00 C ATOM 1127 O ASN A 73 5.436 6.153 -11.425 1.00 0.00 O ATOM 1128 CB ASN A 73 4.466 7.606 -9.335 1.00 0.00 C ATOM 1129 CG ASN A 73 3.759 8.347 -8.212 1.00 0.00 C ATOM 1130 OD1 ASN A 73 3.510 7.790 -7.143 1.00 0.00 O ATOM 1131 ND2 ASN A 73 3.430 9.613 -8.450 1.00 0.00 N ATOM 0 H ASN A 73 3.304 5.055 -7.869 1.00 0.00 H new ATOM 0 HA ASN A 73 2.873 6.213 -9.715 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.535 7.574 -9.125 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.340 8.161 -10.265 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.953 10.160 -7.733 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.654 10.038 -9.350 1.00 0.00 H new ATOM 1138 N SER A 74 4.278 4.259 -10.996 1.00 0.00 N ATOM 1139 CA SER A 74 4.842 3.506 -12.118 1.00 0.00 C ATOM 1140 C SER A 74 6.362 3.362 -11.982 1.00 0.00 C ATOM 1141 O SER A 74 7.099 3.498 -12.961 1.00 0.00 O ATOM 1142 CB SER A 74 4.486 4.177 -13.452 1.00 0.00 C ATOM 1143 OG SER A 74 4.443 3.227 -14.506 1.00 0.00 O ATOM 0 H SER A 74 3.607 3.733 -10.437 1.00 0.00 H new ATOM 0 HA SER A 74 4.406 2.507 -12.102 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.520 4.674 -13.366 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.221 4.948 -13.683 1.00 0.00 H new ATOM 0 HG SER A 74 4.213 3.679 -15.345 1.00 0.00 H new ATOM 1149 N CYS A 75 6.822 3.081 -10.762 1.00 0.00 N ATOM 1150 CA CYS A 75 8.251 2.913 -10.493 1.00 0.00 C ATOM 1151 C CYS A 75 8.471 2.138 -9.193 1.00 0.00 C ATOM 1152 O CYS A 75 8.004 2.549 -8.130 1.00 0.00 O ATOM 1153 CB CYS A 75 8.944 4.275 -10.418 1.00 0.00 C ATOM 1154 SG CYS A 75 10.725 4.186 -10.118 1.00 0.00 S ATOM 0 H CYS A 75 6.225 2.965 -9.943 1.00 0.00 H new ATOM 0 HA CYS A 75 8.686 2.342 -11.313 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.771 4.810 -11.352 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.482 4.862 -9.624 1.00 0.00 H new ATOM 0 HG CYS A 75 11.218 5.388 -10.074 1.00 0.00 H new ATOM 1160 N ASP A 76 9.177 1.011 -9.289 1.00 0.00 N ATOM 1161 CA ASP A 76 9.456 0.168 -8.125 1.00 0.00 C ATOM 1162 C ASP A 76 9.994 0.986 -6.949 1.00 0.00 C ATOM 1163 O ASP A 76 10.912 1.795 -7.108 1.00 0.00 O ATOM 1164 CB ASP A 76 10.455 -0.934 -8.488 1.00 0.00 C ATOM 1165 CG ASP A 76 9.796 -2.117 -9.168 1.00 0.00 C ATOM 1166 OD1 ASP A 76 8.930 -2.755 -8.536 1.00 0.00 O ATOM 1167 OD2 ASP A 76 10.146 -2.402 -10.332 1.00 0.00 O ATOM 0 H ASP A 76 9.567 0.660 -10.163 1.00 0.00 H new ATOM 0 HA ASP A 76 8.513 -0.285 -7.819 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.221 -0.523 -9.145 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.960 -1.274 -7.584 1.00 0.00 H new ATOM 1172 N ALA A 77 9.413 0.763 -5.770 1.00 0.00 N ATOM 1173 CA ALA A 77 9.824 1.468 -4.558 1.00 0.00 C ATOM 1174 C ALA A 77 11.093 0.870 -3.951 1.00 0.00 C ATOM 1175 O ALA A 77 11.835 1.567 -3.264 1.00 0.00 O ATOM 1176 CB ALA A 77 8.706 1.444 -3.527 1.00 0.00 C ATOM 0 H ALA A 77 8.653 0.097 -5.630 1.00 0.00 H new ATOM 0 HA ALA A 77 10.040 2.498 -4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.027 1.973 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.821 1.930 -3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.467 0.411 -3.273 1.00 0.00 H new ATOM 1182 N GLU A 78 11.335 -0.419 -4.205 1.00 0.00 N ATOM 1183 CA GLU A 78 12.512 -1.101 -3.672 1.00 0.00 C ATOM 1184 C GLU A 78 13.779 -0.650 -4.388 1.00 0.00 C ATOM 1185 O GLU A 78 14.873 -0.711 -3.822 1.00 0.00 O ATOM 1186 CB GLU A 78 12.354 -2.620 -3.793 1.00 0.00 C ATOM 1187 CG GLU A 78 11.008 -3.137 -3.296 1.00 0.00 C ATOM 1188 CD GLU A 78 11.111 -3.915 -1.994 1.00 0.00 C ATOM 1189 OE1 GLU A 78 11.886 -3.496 -1.106 1.00 0.00 O ATOM 1190 OE2 GLU A 78 10.409 -4.939 -1.861 1.00 0.00 O ATOM 0 H GLU A 78 10.730 -1.009 -4.776 1.00 0.00 H new ATOM 0 HA GLU A 78 12.601 -0.837 -2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.481 -2.908 -4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.151 -3.105 -3.229 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.331 -2.294 -3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.567 -3.777 -4.060 1.00 0.00 H new ATOM 1197 N VAL A 79 13.626 -0.189 -5.629 1.00 0.00 N ATOM 1198 CA VAL A 79 14.762 0.276 -6.413 1.00 0.00 C ATOM 1199 C VAL A 79 15.435 1.478 -5.745 1.00 0.00 C ATOM 1200 O VAL A 79 16.640 1.680 -5.893 1.00 0.00 O ATOM 1201 CB VAL A 79 14.349 0.660 -7.852 1.00 0.00 C ATOM 1202 CG1 VAL A 79 15.563 1.083 -8.669 1.00 0.00 C ATOM 1203 CG2 VAL A 79 13.629 -0.500 -8.529 1.00 0.00 C ATOM 0 H VAL A 79 12.728 -0.129 -6.109 1.00 0.00 H new ATOM 0 HA VAL A 79 15.467 -0.553 -6.464 1.00 0.00 H new ATOM 0 HB VAL A 79 13.665 1.506 -7.795 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.248 1.349 -9.678 1.00 0.00 H new ATOM 0 HG12 VAL A 79 16.036 1.945 -8.198 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.275 0.259 -8.716 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.346 -0.211 -9.541 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.291 -1.365 -8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.734 -0.755 -7.961 1.00 0.00 H new ATOM 1213 N VAL A 80 14.647 2.268 -5.010 1.00 0.00 N ATOM 1214 CA VAL A 80 15.169 3.446 -4.323 1.00 0.00 C ATOM 1215 C VAL A 80 15.134 3.285 -2.802 1.00 0.00 C ATOM 1216 O VAL A 80 16.059 3.712 -2.112 1.00 0.00 O ATOM 1217 CB VAL A 80 14.392 4.721 -4.718 1.00 0.00 C ATOM 1218 CG1 VAL A 80 14.590 5.025 -6.193 1.00 0.00 C ATOM 1219 CG2 VAL A 80 12.911 4.587 -4.389 1.00 0.00 C ATOM 0 H VAL A 80 13.648 2.111 -4.877 1.00 0.00 H new ATOM 0 HA VAL A 80 16.208 3.548 -4.638 1.00 0.00 H new ATOM 0 HB VAL A 80 14.787 5.553 -4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.036 5.926 -6.456 1.00 0.00 H new ATOM 0 HG12 VAL A 80 15.650 5.179 -6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.226 4.188 -6.789 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.390 5.500 -4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.492 3.742 -4.935 1.00 0.00 H new ATOM 0 HG23 VAL A 80 12.789 4.424 -3.318 1.00 0.00 H new ATOM 1229 N GLY A 81 14.063 2.677 -2.283 1.00 0.00 N ATOM 1230 CA GLY A 81 13.939 2.485 -0.847 1.00 0.00 C ATOM 1231 C GLY A 81 13.419 1.107 -0.479 1.00 0.00 C ATOM 1232 O GLY A 81 14.175 0.267 0.013 1.00 0.00 O ATOM 0 H GLY A 81 13.283 2.316 -2.832 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.912 2.638 -0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.268 3.242 -0.441 1.00 0.00 H new ATOM 1236 N GLY A 82 12.126 0.877 -0.714 1.00 0.00 N ATOM 1237 CA GLY A 82 11.524 -0.407 -0.394 1.00 0.00 C ATOM 1238 C GLY A 82 10.394 -0.281 0.609 1.00 0.00 C ATOM 1239 O GLY A 82 9.352 -0.919 0.463 1.00 0.00 O ATOM 0 H GLY A 82 11.486 1.559 -1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.146 -0.866 -1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.288 -1.074 0.005 1.00 0.00 H new ATOM 1243 N MET A 83 10.605 0.549 1.630 1.00 0.00 N ATOM 1244 CA MET A 83 9.602 0.770 2.669 1.00 0.00 C ATOM 1245 C MET A 83 9.832 2.111 3.368 1.00 0.00 C ATOM 1246 O MET A 83 9.511 2.270 4.547 1.00 0.00 O ATOM 1247 CB MET A 83 9.645 -0.375 3.687 1.00 0.00 C ATOM 1248 CG MET A 83 10.976 -0.494 4.416 1.00 0.00 C ATOM 1249 SD MET A 83 11.385 -2.196 4.841 1.00 0.00 S ATOM 1250 CE MET A 83 13.165 -2.087 4.992 1.00 0.00 C ATOM 0 H MET A 83 11.466 1.081 1.759 1.00 0.00 H new ATOM 0 HA MET A 83 8.617 0.795 2.202 1.00 0.00 H new ATOM 0 HB2 MET A 83 8.851 -0.229 4.419 1.00 0.00 H new ATOM 0 HB3 MET A 83 9.436 -1.314 3.174 1.00 0.00 H new ATOM 0 HG2 MET A 83 11.767 -0.080 3.790 1.00 0.00 H new ATOM 0 HG3 MET A 83 10.942 0.105 5.326 1.00 0.00 H new ATOM 0 HE1 MET A 83 13.569 -3.065 5.253 1.00 0.00 H new ATOM 0 HE2 MET A 83 13.591 -1.760 4.044 1.00 0.00 H new ATOM 0 HE3 MET A 83 13.421 -1.369 5.772 1.00 0.00 H new ATOM 1260 N ASP A 84 10.398 3.070 2.634 1.00 0.00 N ATOM 1261 CA ASP A 84 10.679 4.393 3.186 1.00 0.00 C ATOM 1262 C ASP A 84 10.511 5.494 2.128 1.00 0.00 C ATOM 1263 O ASP A 84 11.069 6.583 2.265 1.00 0.00 O ATOM 1264 CB ASP A 84 12.106 4.416 3.752 1.00 0.00 C ATOM 1265 CG ASP A 84 12.335 5.555 4.729 1.00 0.00 C ATOM 1266 OD1 ASP A 84 11.935 5.418 5.906 1.00 0.00 O ATOM 1267 OD2 ASP A 84 12.920 6.580 4.318 1.00 0.00 O ATOM 0 H ASP A 84 10.670 2.954 1.658 1.00 0.00 H new ATOM 0 HA ASP A 84 9.962 4.592 3.983 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.309 3.469 4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 84 12.816 4.501 2.930 1.00 0.00 H new ATOM 1272 N TYR A 85 9.738 5.214 1.074 1.00 0.00 N ATOM 1273 CA TYR A 85 9.515 6.193 0.010 1.00 0.00 C ATOM 1274 C TYR A 85 8.598 7.327 0.481 1.00 0.00 C ATOM 1275 O TYR A 85 7.453 7.087 0.865 1.00 0.00 O ATOM 1276 CB TYR A 85 8.912 5.520 -1.229 1.00 0.00 C ATOM 1277 CG TYR A 85 9.082 6.330 -2.497 1.00 0.00 C ATOM 1278 CD1 TYR A 85 8.415 7.537 -2.670 1.00 0.00 C ATOM 1279 CD2 TYR A 85 9.912 5.887 -3.517 1.00 0.00 C ATOM 1280 CE1 TYR A 85 8.568 8.277 -3.826 1.00 0.00 C ATOM 1281 CE2 TYR A 85 10.071 6.622 -4.675 1.00 0.00 C ATOM 1282 CZ TYR A 85 9.399 7.815 -4.826 1.00 0.00 C ATOM 1283 OH TYR A 85 9.558 8.549 -5.981 1.00 0.00 O ATOM 0 H TYR A 85 9.260 4.323 0.937 1.00 0.00 H new ATOM 0 HA TYR A 85 10.484 6.618 -0.252 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.377 4.544 -1.365 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.850 5.346 -1.058 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.766 7.902 -1.888 1.00 0.00 H new ATOM 0 HD2 TYR A 85 10.442 4.953 -3.403 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.040 9.212 -3.947 1.00 0.00 H new ATOM 0 HE2 TYR A 85 10.720 6.263 -5.460 1.00 0.00 H new ATOM 0 HH TYR A 85 10.177 8.084 -6.582 1.00 0.00 H new ATOM 1293 N VAL A 86 9.113 8.561 0.436 1.00 0.00 N ATOM 1294 CA VAL A 86 8.346 9.741 0.848 1.00 0.00 C ATOM 1295 C VAL A 86 7.104 9.926 -0.025 1.00 0.00 C ATOM 1296 O VAL A 86 7.197 9.993 -1.252 1.00 0.00 O ATOM 1297 CB VAL A 86 9.202 11.032 0.794 1.00 0.00 C ATOM 1298 CG1 VAL A 86 10.366 10.946 1.771 1.00 0.00 C ATOM 1299 CG2 VAL A 86 9.700 11.295 -0.622 1.00 0.00 C ATOM 0 H VAL A 86 10.060 8.768 0.118 1.00 0.00 H new ATOM 0 HA VAL A 86 8.040 9.567 1.880 1.00 0.00 H new ATOM 0 HB VAL A 86 8.571 11.870 1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.954 11.862 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.983 10.820 2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 86 10.996 10.095 1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.298 12.206 -0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.311 10.456 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.848 11.412 -1.292 1.00 0.00 H new ATOM 1309 N LEU A 87 5.941 10.011 0.619 1.00 0.00 N ATOM 1310 CA LEU A 87 4.678 10.189 -0.091 1.00 0.00 C ATOM 1311 C LEU A 87 4.447 11.656 -0.438 1.00 0.00 C ATOM 1312 O LEU A 87 5.163 12.539 0.037 1.00 0.00 O ATOM 1313 CB LEU A 87 3.510 9.657 0.751 1.00 0.00 C ATOM 1314 CG LEU A 87 2.704 8.530 0.101 1.00 0.00 C ATOM 1315 CD1 LEU A 87 3.243 7.173 0.531 1.00 0.00 C ATOM 1316 CD2 LEU A 87 1.227 8.656 0.447 1.00 0.00 C ATOM 0 H LEU A 87 5.849 9.959 1.633 1.00 0.00 H new ATOM 0 HA LEU A 87 4.732 9.621 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.902 9.300 1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.836 10.484 0.973 1.00 0.00 H new ATOM 0 HG LEU A 87 2.808 8.614 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.658 6.383 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.286 7.083 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.171 7.080 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.672 7.845 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.101 8.601 1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.849 9.612 0.086 1.00 0.00 H new ATOM 1328 N ASN A 88 3.445 11.907 -1.277 1.00 0.00 N ATOM 1329 CA ASN A 88 3.118 13.265 -1.699 1.00 0.00 C ATOM 1330 C ASN A 88 1.732 13.318 -2.331 1.00 0.00 C ATOM 1331 O ASN A 88 1.160 12.285 -2.682 1.00 0.00 O ATOM 1332 CB ASN A 88 4.160 13.772 -2.702 1.00 0.00 C ATOM 1333 CG ASN A 88 4.638 15.178 -2.387 1.00 0.00 C ATOM 1334 OD1 ASN A 88 5.568 15.365 -1.606 1.00 0.00 O ATOM 1335 ND2 ASN A 88 4.003 16.175 -2.996 1.00 0.00 N ATOM 0 H ASN A 88 2.845 11.186 -1.678 1.00 0.00 H new ATOM 0 HA ASN A 88 3.124 13.905 -0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.014 13.095 -2.707 1.00 0.00 H new ATOM 0 HB3 ASN A 88 3.733 13.754 -3.705 1.00 0.00 H new ATOM 0 HD21 ASN A 88 4.283 17.140 -2.822 1.00 0.00 H new ATOM 0 HD22 ASN A 88 3.236 15.975 -3.637 1.00 0.00 H new ATOM 1342 N ASP A 89 1.204 14.530 -2.486 1.00 0.00 N ATOM 1343 CA ASP A 89 -0.106 14.730 -3.096 1.00 0.00 C ATOM 1344 C ASP A 89 -0.131 14.122 -4.497 1.00 0.00 C ATOM 1345 O ASP A 89 0.416 14.693 -5.443 1.00 0.00 O ATOM 1346 CB ASP A 89 -0.435 16.226 -3.158 1.00 0.00 C ATOM 1347 CG ASP A 89 -1.874 16.511 -3.557 1.00 0.00 C ATOM 1348 OD1 ASP A 89 -2.598 15.561 -3.934 1.00 0.00 O ATOM 1349 OD2 ASP A 89 -2.278 17.690 -3.491 1.00 0.00 O ATOM 0 H ASP A 89 1.667 15.391 -2.196 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.860 14.232 -2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -0.240 16.674 -2.184 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.234 16.709 -3.870 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.760 12.956 -4.615 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.845 12.275 -5.896 1.00 0.00 C ATOM 1356 C GLY A 90 0.067 11.062 -5.986 1.00 0.00 C ATOM 1357 O GLY A 90 0.456 10.659 -7.083 1.00 0.00 O ATOM 0 H GLY A 90 -1.214 12.469 -3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.875 11.962 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -0.589 12.975 -6.691 1.00 0.00 H new ATOM 1361 N ASP A 91 0.410 10.476 -4.835 1.00 0.00 N ATOM 1362 CA ASP A 91 1.277 9.299 -4.797 1.00 0.00 C ATOM 1363 C ASP A 91 0.498 8.047 -5.191 1.00 0.00 C ATOM 1364 O ASP A 91 -0.649 7.872 -4.783 1.00 0.00 O ATOM 1365 CB ASP A 91 1.878 9.116 -3.400 1.00 0.00 C ATOM 1366 CG ASP A 91 3.315 8.632 -3.445 1.00 0.00 C ATOM 1367 OD1 ASP A 91 4.214 9.462 -3.695 1.00 0.00 O ATOM 1368 OD2 ASP A 91 3.541 7.422 -3.228 1.00 0.00 O ATOM 0 H ASP A 91 0.100 10.799 -3.919 1.00 0.00 H new ATOM 0 HA ASP A 91 2.086 9.452 -5.511 1.00 0.00 H new ATOM 0 HB2 ASP A 91 1.834 10.063 -2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.275 8.402 -2.839 1.00 0.00 H new ATOM 1373 N THR A 92 1.127 7.182 -5.983 1.00 0.00 N ATOM 1374 CA THR A 92 0.488 5.949 -6.430 1.00 0.00 C ATOM 1375 C THR A 92 1.175 4.727 -5.833 1.00 0.00 C ATOM 1376 O THR A 92 2.338 4.454 -6.130 1.00 0.00 O ATOM 1377 CB THR A 92 0.505 5.862 -7.959 1.00 0.00 C ATOM 1378 OG1 THR A 92 -0.155 6.976 -8.534 1.00 0.00 O ATOM 1379 CG2 THR A 92 -0.158 4.609 -8.497 1.00 0.00 C ATOM 0 H THR A 92 2.078 7.313 -6.328 1.00 0.00 H new ATOM 0 HA THR A 92 -0.546 5.965 -6.085 1.00 0.00 H new ATOM 0 HB THR A 92 1.560 5.843 -8.233 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.131 6.902 -9.511 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.111 4.611 -9.586 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.360 3.730 -8.113 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.200 4.584 -8.179 1.00 0.00 H new ATOM 1387 N VAL A 93 0.445 3.989 -4.998 1.00 0.00 N ATOM 1388 CA VAL A 93 0.980 2.785 -4.370 1.00 0.00 C ATOM 1389 C VAL A 93 0.075 1.584 -4.649 1.00 0.00 C ATOM 1390 O VAL A 93 -1.055 1.512 -4.160 1.00 0.00 O ATOM 1391 CB VAL A 93 1.172 2.968 -2.845 1.00 0.00 C ATOM 1392 CG1 VAL A 93 -0.152 3.244 -2.145 1.00 0.00 C ATOM 1393 CG2 VAL A 93 1.865 1.751 -2.239 1.00 0.00 C ATOM 0 H VAL A 93 -0.518 4.205 -4.742 1.00 0.00 H new ATOM 0 HA VAL A 93 1.961 2.599 -4.808 1.00 0.00 H new ATOM 0 HB VAL A 93 1.811 3.838 -2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.020 3.367 -1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.594 4.155 -2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.832 2.408 -2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.990 1.900 -1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.258 0.862 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.842 1.620 -2.704 1.00 0.00 H new ATOM 1403 N GLU A 94 0.582 0.649 -5.453 1.00 0.00 N ATOM 1404 CA GLU A 94 -0.171 -0.548 -5.818 1.00 0.00 C ATOM 1405 C GLU A 94 0.492 -1.807 -5.264 1.00 0.00 C ATOM 1406 O GLU A 94 1.710 -1.854 -5.081 1.00 0.00 O ATOM 1407 CB GLU A 94 -0.292 -0.657 -7.340 1.00 0.00 C ATOM 1408 CG GLU A 94 -0.741 0.631 -8.012 1.00 0.00 C ATOM 1409 CD GLU A 94 -1.085 0.437 -9.477 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -0.222 -0.064 -10.230 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -2.218 0.786 -9.872 1.00 0.00 O ATOM 0 H GLU A 94 1.514 0.699 -5.864 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.166 -0.461 -5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.673 -0.954 -7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.000 -1.449 -7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.611 1.025 -7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.049 1.377 -7.924 1.00 0.00 H new ATOM 1418 N PHE A 95 -0.327 -2.825 -5.003 1.00 0.00 N ATOM 1419 CA PHE A 95 0.159 -4.098 -4.470 1.00 0.00 C ATOM 1420 C PHE A 95 -0.374 -5.264 -5.299 1.00 0.00 C ATOM 1421 O PHE A 95 -1.546 -5.630 -5.189 1.00 0.00 O ATOM 1422 CB PHE A 95 -0.266 -4.257 -3.006 1.00 0.00 C ATOM 1423 CG PHE A 95 -0.048 -3.026 -2.170 1.00 0.00 C ATOM 1424 CD1 PHE A 95 -1.039 -2.061 -2.062 1.00 0.00 C ATOM 1425 CD2 PHE A 95 1.144 -2.833 -1.492 1.00 0.00 C ATOM 1426 CE1 PHE A 95 -0.844 -0.930 -1.293 1.00 0.00 C ATOM 1427 CE2 PHE A 95 1.345 -1.703 -0.721 1.00 0.00 C ATOM 1428 CZ PHE A 95 0.350 -0.752 -0.621 1.00 0.00 C ATOM 0 H PHE A 95 -1.335 -2.793 -5.153 1.00 0.00 H new ATOM 0 HA PHE A 95 1.248 -4.101 -4.524 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.322 -4.525 -2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.288 -5.086 -2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.974 -2.196 -2.585 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.926 -3.574 -1.566 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.623 -0.186 -1.217 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.280 -1.565 -0.198 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.504 0.131 -0.018 1.00 0.00 H new ATOM 1438 N ILE A 96 0.493 -5.839 -6.133 1.00 0.00 N ATOM 1439 CA ILE A 96 0.114 -6.966 -6.987 1.00 0.00 C ATOM 1440 C ILE A 96 0.715 -8.272 -6.465 1.00 0.00 C ATOM 1441 O ILE A 96 1.895 -8.554 -6.680 1.00 0.00 O ATOM 1442 CB ILE A 96 0.567 -6.745 -8.451 1.00 0.00 C ATOM 1443 CG1 ILE A 96 0.151 -5.354 -8.945 1.00 0.00 C ATOM 1444 CG2 ILE A 96 -0.005 -7.828 -9.357 1.00 0.00 C ATOM 1445 CD1 ILE A 96 0.943 -4.878 -10.144 1.00 0.00 C ATOM 0 H ILE A 96 1.464 -5.543 -6.236 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.974 -7.034 -6.963 1.00 0.00 H new ATOM 0 HB ILE A 96 1.655 -6.807 -8.484 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.908 -5.370 -9.202 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.271 -4.637 -8.132 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.324 -7.656 -10.382 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.345 -8.805 -9.022 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.094 -7.799 -9.316 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.596 -3.888 -10.440 1.00 0.00 H new ATOM 0 HD12 ILE A 96 2.001 -4.830 -9.885 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.803 -5.573 -10.972 1.00 0.00 H new ATOM 1457 N SER A 97 -0.106 -9.058 -5.769 1.00 0.00 N ATOM 1458 CA SER A 97 0.339 -10.333 -5.199 1.00 0.00 C ATOM 1459 C SER A 97 0.463 -11.416 -6.276 1.00 0.00 C ATOM 1460 O SER A 97 -0.542 -11.929 -6.773 1.00 0.00 O ATOM 1461 CB SER A 97 -0.626 -10.799 -4.102 1.00 0.00 C ATOM 1462 OG SER A 97 -1.182 -9.698 -3.400 1.00 0.00 O ATOM 0 H SER A 97 -1.084 -8.835 -5.585 1.00 0.00 H new ATOM 0 HA SER A 97 1.325 -10.170 -4.763 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.426 -11.391 -4.546 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.099 -11.449 -3.404 1.00 0.00 H new ATOM 0 HG SER A 97 -1.380 -9.964 -2.478 1.00 0.00 H new ATOM 1468 N THR A 98 1.706 -11.753 -6.627 1.00 0.00 N ATOM 1469 CA THR A 98 1.976 -12.772 -7.644 1.00 0.00 C ATOM 1470 C THR A 98 2.578 -14.044 -7.029 1.00 0.00 C ATOM 1471 O THR A 98 2.366 -15.139 -7.547 1.00 0.00 O ATOM 1472 CB THR A 98 2.917 -12.217 -8.719 1.00 0.00 C ATOM 1473 OG1 THR A 98 3.960 -11.448 -8.138 1.00 0.00 O ATOM 1474 CG2 THR A 98 2.209 -11.340 -9.732 1.00 0.00 C ATOM 0 H THR A 98 2.543 -11.334 -6.221 1.00 0.00 H new ATOM 0 HA THR A 98 1.023 -13.038 -8.100 1.00 0.00 H new ATOM 0 HB THR A 98 3.318 -13.093 -9.230 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.074 -11.707 -7.200 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.929 -10.978 -10.466 1.00 0.00 H new ATOM 0 HG22 THR A 98 1.436 -11.919 -10.237 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.753 -10.491 -9.223 1.00 0.00 H new