USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 584 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 Set 1.1: A 70 THR OG1 : rot -54:sc= 1.47 USER MOD Set 1.2: A 71 SER OG : rot 180:sc= 0.234 USER MOD Set 1.3: A 74 LYS NZ :NH3+ -155:sc= 0.863 (180deg=-0.888) USER MOD Set 2.1: A 42 HIS : no HD1:sc= -0.309 K(o=0.7,f=-7.2!) USER MOD Set 2.2: A 46 HIS : no HD1:sc= 0.359 K(o=0.7,f=-8.5!) USER MOD Set 2.3: A 56 HIS : no HD1:sc= 0.648 K(o=0.7,f=-5.4!) USER MOD Set 3.1: A 36 THR OG1 : rot -109:sc= 0.372 USER MOD Set 3.2: A 37 SER OG : rot 102:sc= 0.0874 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -72:sc= 1.22 USER MOD Single : A 12 GLN : amide:sc= 1.17 K(o=1.2,f=-11!) USER MOD Single : A 15 LYS NZ :NH3+ 151:sc= 1.56 (180deg=0.697) USER MOD Single : A 17 THR OG1 : rot -80:sc= 0.61 USER MOD Single : A 22 SER OG : rot 63:sc= 1.32 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0958 USER MOD Single : A 32 THR OG1 : rot 68:sc= 0.535 USER MOD Single : A 45 SER OG : rot 53:sc= 1.25 USER MOD Single : A 47 LYS NZ :NH3+ -133:sc= 0.439 (180deg=-0.201) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0224 USER MOD Single : A 53 GLN : amide:sc= 0.604 K(o=0.6,f=-1) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.76 K(o=-0.76,f=-3.5!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00602 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 69 GLN : amide:sc= -0.935 X(o=-0.93,f=-1.2) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= 0.429 (180deg=0.302) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -114:sc= 0.0943 (180deg=-0.362) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.363 9.079 -12.191 1.00 0.00 N ATOM 2 CA ALA A 1 12.073 9.385 -11.591 1.00 0.00 C ATOM 3 C ALA A 1 11.620 8.229 -10.697 1.00 0.00 C ATOM 4 O ALA A 1 11.385 8.413 -9.503 1.00 0.00 O ATOM 5 CB ALA A 1 11.049 9.681 -12.690 1.00 0.00 C ATOM 0 H1 ALA A 1 13.661 9.871 -12.796 1.00 0.00 H new ATOM 0 H2 ALA A 1 14.068 8.932 -11.441 1.00 0.00 H new ATOM 0 H3 ALA A 1 13.283 8.216 -12.765 1.00 0.00 H new ATOM 0 HA ALA A 1 12.163 10.272 -10.964 1.00 0.00 H new ATOM 0 HB1 ALA A 1 10.084 9.910 -12.237 1.00 0.00 H new ATOM 0 HB2 ALA A 1 11.384 10.534 -13.279 1.00 0.00 H new ATOM 0 HB3 ALA A 1 10.948 8.810 -13.338 1.00 0.00 H new ATOM 12 N VAL A 2 11.526 7.021 -11.262 1.00 0.00 N ATOM 13 CA VAL A 2 11.103 5.818 -10.553 1.00 0.00 C ATOM 14 C VAL A 2 12.230 5.263 -9.668 1.00 0.00 C ATOM 15 O VAL A 2 12.543 4.071 -9.713 1.00 0.00 O ATOM 16 CB VAL A 2 10.543 4.782 -11.551 1.00 0.00 C ATOM 17 CG1 VAL A 2 9.245 5.300 -12.183 1.00 0.00 C ATOM 18 CG2 VAL A 2 11.528 4.411 -12.672 1.00 0.00 C ATOM 0 H VAL A 2 11.747 6.853 -12.244 1.00 0.00 H new ATOM 0 HA VAL A 2 10.293 6.073 -9.870 1.00 0.00 H new ATOM 0 HB VAL A 2 10.358 3.879 -10.969 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.861 4.559 -12.885 1.00 0.00 H new ATOM 0 HG12 VAL A 2 8.506 5.477 -11.402 1.00 0.00 H new ATOM 0 HG13 VAL A 2 9.445 6.232 -12.712 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.066 3.679 -13.335 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.785 5.304 -13.241 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.432 3.986 -12.236 1.00 0.00 H new ATOM 28 N ILE A 3 12.816 6.123 -8.828 1.00 0.00 N ATOM 29 CA ILE A 3 13.891 5.786 -7.904 1.00 0.00 C ATOM 30 C ILE A 3 13.289 4.899 -6.810 1.00 0.00 C ATOM 31 O ILE A 3 12.936 5.366 -5.729 1.00 0.00 O ATOM 32 CB ILE A 3 14.557 7.069 -7.361 1.00 0.00 C ATOM 33 CG1 ILE A 3 15.041 7.958 -8.525 1.00 0.00 C ATOM 34 CG2 ILE A 3 15.743 6.706 -6.451 1.00 0.00 C ATOM 35 CD1 ILE A 3 15.680 9.270 -8.060 1.00 0.00 C ATOM 0 H ILE A 3 12.542 7.104 -8.775 1.00 0.00 H new ATOM 0 HA ILE A 3 14.691 5.234 -8.398 1.00 0.00 H new ATOM 0 HB ILE A 3 13.819 7.623 -6.780 1.00 0.00 H new ATOM 0 HG12 ILE A 3 15.764 7.402 -9.122 1.00 0.00 H new ATOM 0 HG13 ILE A 3 14.196 8.184 -9.176 1.00 0.00 H new ATOM 0 HG21 ILE A 3 16.205 7.618 -6.074 1.00 0.00 H new ATOM 0 HG22 ILE A 3 15.388 6.106 -5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 3 16.477 6.136 -7.020 1.00 0.00 H new ATOM 0 HD11 ILE A 3 15.998 9.847 -8.928 1.00 0.00 H new ATOM 0 HD12 ILE A 3 14.953 9.846 -7.488 1.00 0.00 H new ATOM 0 HD13 ILE A 3 16.544 9.052 -7.433 1.00 0.00 H new ATOM 47 N THR A 4 13.132 3.620 -7.141 1.00 0.00 N ATOM 48 CA THR A 4 12.513 2.598 -6.321 1.00 0.00 C ATOM 49 C THR A 4 13.533 1.478 -6.081 1.00 0.00 C ATOM 50 O THR A 4 14.335 1.554 -5.156 1.00 0.00 O ATOM 51 CB THR A 4 11.242 2.128 -7.054 1.00 0.00 C ATOM 52 OG1 THR A 4 11.567 1.744 -8.381 1.00 0.00 O ATOM 53 CG2 THR A 4 10.180 3.233 -7.128 1.00 0.00 C ATOM 0 H THR A 4 13.453 3.255 -8.038 1.00 0.00 H new ATOM 0 HA THR A 4 12.216 2.964 -5.338 1.00 0.00 H new ATOM 0 HB THR A 4 10.839 1.288 -6.489 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.768 2.542 -8.913 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.301 2.858 -7.653 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.899 3.536 -6.119 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.585 4.091 -7.665 1.00 0.00 H new ATOM 61 N GLY A 5 13.511 0.438 -6.917 1.00 0.00 N ATOM 62 CA GLY A 5 14.424 -0.695 -6.872 1.00 0.00 C ATOM 63 C GLY A 5 14.111 -1.647 -5.719 1.00 0.00 C ATOM 64 O GLY A 5 13.792 -2.812 -5.940 1.00 0.00 O ATOM 0 H GLY A 5 12.829 0.364 -7.671 1.00 0.00 H new ATOM 0 HA2 GLY A 5 14.370 -1.240 -7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 5 15.447 -0.331 -6.772 1.00 0.00 H new ATOM 68 N ALA A 6 14.207 -1.147 -4.488 1.00 0.00 N ATOM 69 CA ALA A 6 13.982 -1.891 -3.256 1.00 0.00 C ATOM 70 C ALA A 6 13.678 -0.894 -2.144 1.00 0.00 C ATOM 71 O ALA A 6 13.990 0.286 -2.290 1.00 0.00 O ATOM 72 CB ALA A 6 15.217 -2.730 -2.915 1.00 0.00 C ATOM 0 H ALA A 6 14.454 -0.172 -4.318 1.00 0.00 H new ATOM 0 HA ALA A 6 13.140 -2.573 -3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.038 -3.282 -1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 6 15.415 -3.432 -3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 6 16.078 -2.074 -2.784 1.00 0.00 H new ATOM 78 N CYS A 7 13.042 -1.342 -1.058 1.00 0.00 N ATOM 79 CA CYS A 7 12.713 -0.477 0.068 1.00 0.00 C ATOM 80 C CYS A 7 12.910 -1.182 1.402 1.00 0.00 C ATOM 81 O CYS A 7 13.020 -2.402 1.473 1.00 0.00 O ATOM 82 CB CYS A 7 11.267 0.010 -0.040 1.00 0.00 C ATOM 83 SG CYS A 7 10.006 -1.210 0.403 1.00 0.00 S ATOM 0 H CYS A 7 12.744 -2.310 -0.939 1.00 0.00 H new ATOM 0 HA CYS A 7 13.393 0.374 0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 7 11.146 0.883 0.601 1.00 0.00 H new ATOM 0 HB3 CYS A 7 11.087 0.339 -1.063 1.00 0.00 H new ATOM 88 N GLU A 8 12.956 -0.372 2.456 1.00 0.00 N ATOM 89 CA GLU A 8 13.015 -0.769 3.852 1.00 0.00 C ATOM 90 C GLU A 8 11.923 0.010 4.588 1.00 0.00 C ATOM 91 O GLU A 8 11.219 -0.554 5.423 1.00 0.00 O ATOM 92 CB GLU A 8 14.391 -0.465 4.453 1.00 0.00 C ATOM 93 CG GLU A 8 15.537 -1.136 3.687 1.00 0.00 C ATOM 94 CD GLU A 8 16.882 -0.700 4.252 1.00 0.00 C ATOM 95 OE1 GLU A 8 17.193 0.501 4.083 1.00 0.00 O ATOM 96 OE2 GLU A 8 17.564 -1.557 4.853 1.00 0.00 O ATOM 0 H GLU A 8 12.953 0.642 2.347 1.00 0.00 H new ATOM 0 HA GLU A 8 12.857 -1.843 3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.548 0.614 4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.410 -0.798 5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.442 -2.220 3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.478 -0.875 2.630 1.00 0.00 H new ATOM 103 N ARG A 9 11.790 1.310 4.297 1.00 0.00 N ATOM 104 CA ARG A 9 10.773 2.172 4.884 1.00 0.00 C ATOM 105 C ARG A 9 10.358 3.260 3.891 1.00 0.00 C ATOM 106 O ARG A 9 11.141 3.650 3.022 1.00 0.00 O ATOM 107 CB ARG A 9 11.216 2.750 6.242 1.00 0.00 C ATOM 108 CG ARG A 9 12.716 2.679 6.573 1.00 0.00 C ATOM 109 CD ARG A 9 13.583 3.574 5.679 1.00 0.00 C ATOM 110 NE ARG A 9 14.938 3.024 5.536 1.00 0.00 N ATOM 111 CZ ARG A 9 15.882 2.985 6.485 1.00 0.00 C ATOM 112 NH1 ARG A 9 15.681 3.575 7.668 1.00 0.00 N ATOM 113 NH2 ARG A 9 17.027 2.339 6.239 1.00 0.00 N ATOM 0 H ARG A 9 12.398 1.794 3.636 1.00 0.00 H new ATOM 0 HA ARG A 9 9.893 1.563 5.094 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.909 3.795 6.282 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.670 2.227 7.027 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.864 2.966 7.614 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.053 1.647 6.476 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.120 3.670 4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.637 4.576 6.105 1.00 0.00 H new ATOM 0 HE ARG A 9 15.183 2.634 4.626 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.803 4.060 7.853 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.406 3.540 8.385 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.172 1.884 5.338 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.755 2.301 6.953 1.00 0.00 H new ATOM 127 N ASP A 10 9.125 3.756 4.049 1.00 0.00 N ATOM 128 CA ASP A 10 8.478 4.735 3.175 1.00 0.00 C ATOM 129 C ASP A 10 9.357 5.943 2.860 1.00 0.00 C ATOM 130 O ASP A 10 9.234 6.525 1.785 1.00 0.00 O ATOM 131 CB ASP A 10 7.193 5.255 3.823 1.00 0.00 C ATOM 132 CG ASP A 10 6.125 4.201 4.059 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.064 3.236 3.268 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.398 4.372 5.059 1.00 0.00 O ATOM 0 H ASP A 10 8.527 3.472 4.825 1.00 0.00 H new ATOM 0 HA ASP A 10 8.274 4.207 2.244 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.445 5.716 4.778 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.776 6.039 3.191 1.00 0.00 H new ATOM 139 N LEU A 11 10.214 6.336 3.806 1.00 0.00 N ATOM 140 CA LEU A 11 11.144 7.450 3.666 1.00 0.00 C ATOM 141 C LEU A 11 11.953 7.350 2.367 1.00 0.00 C ATOM 142 O LEU A 11 12.255 8.367 1.749 1.00 0.00 O ATOM 143 CB LEU A 11 12.095 7.485 4.873 1.00 0.00 C ATOM 144 CG LEU A 11 11.395 7.729 6.222 1.00 0.00 C ATOM 145 CD1 LEU A 11 12.385 7.486 7.367 1.00 0.00 C ATOM 146 CD2 LEU A 11 10.861 9.163 6.328 1.00 0.00 C ATOM 0 H LEU A 11 10.279 5.873 4.713 1.00 0.00 H new ATOM 0 HA LEU A 11 10.563 8.372 3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.635 6.540 4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.836 8.268 4.714 1.00 0.00 H new ATOM 0 HG LEU A 11 10.554 7.039 6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.887 7.659 8.321 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.743 6.457 7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.229 8.168 7.269 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.373 9.299 7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.688 9.867 6.237 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.142 9.343 5.529 1.00 0.00 H new ATOM 158 N GLN A 12 12.310 6.130 1.953 1.00 0.00 N ATOM 159 CA GLN A 12 13.080 5.901 0.734 1.00 0.00 C ATOM 160 C GLN A 12 12.216 6.047 -0.523 1.00 0.00 C ATOM 161 O GLN A 12 12.744 6.154 -1.628 1.00 0.00 O ATOM 162 CB GLN A 12 13.667 4.488 0.790 1.00 0.00 C ATOM 163 CG GLN A 12 14.678 4.361 1.936 1.00 0.00 C ATOM 164 CD GLN A 12 14.913 2.908 2.318 1.00 0.00 C ATOM 165 OE1 GLN A 12 13.962 2.167 2.556 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.173 2.503 2.443 1.00 0.00 N ATOM 0 H GLN A 12 12.071 5.275 2.456 1.00 0.00 H new ATOM 0 HA GLN A 12 13.870 6.650 0.677 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.865 3.762 0.925 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.153 4.254 -0.157 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.623 4.817 1.640 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.316 4.912 2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.938 3.145 2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.375 1.550 2.745 1.00 0.00 H new ATOM 175 N CYS A 13 10.895 6.023 -0.352 1.00 0.00 N ATOM 176 CA CYS A 13 9.910 6.048 -1.413 1.00 0.00 C ATOM 177 C CYS A 13 9.384 7.473 -1.549 1.00 0.00 C ATOM 178 O CYS A 13 9.814 8.214 -2.431 1.00 0.00 O ATOM 179 CB CYS A 13 8.816 5.018 -1.083 1.00 0.00 C ATOM 180 SG CYS A 13 9.414 3.374 -0.633 1.00 0.00 S ATOM 0 H CYS A 13 10.471 5.984 0.575 1.00 0.00 H new ATOM 0 HA CYS A 13 10.333 5.769 -2.378 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.212 5.404 -0.262 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.157 4.923 -1.946 1.00 0.00 H new ATOM 185 N GLY A 14 8.487 7.882 -0.652 1.00 0.00 N ATOM 186 CA GLY A 14 7.935 9.223 -0.611 1.00 0.00 C ATOM 187 C GLY A 14 7.079 9.578 -1.821 1.00 0.00 C ATOM 188 O GLY A 14 5.851 9.564 -1.757 1.00 0.00 O ATOM 0 H GLY A 14 8.120 7.272 0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.333 9.330 0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.753 9.939 -0.535 1.00 0.00 H new ATOM 192 N LYS A 15 7.752 9.937 -2.910 1.00 0.00 N ATOM 193 CA LYS A 15 7.163 10.417 -4.156 1.00 0.00 C ATOM 194 C LYS A 15 6.049 9.491 -4.666 1.00 0.00 C ATOM 195 O LYS A 15 6.308 8.522 -5.376 1.00 0.00 O ATOM 196 CB LYS A 15 8.237 10.753 -5.216 1.00 0.00 C ATOM 197 CG LYS A 15 9.520 9.903 -5.285 1.00 0.00 C ATOM 198 CD LYS A 15 9.262 8.434 -5.635 1.00 0.00 C ATOM 199 CE LYS A 15 10.555 7.654 -5.907 1.00 0.00 C ATOM 200 NZ LYS A 15 11.462 7.662 -4.745 1.00 0.00 N ATOM 0 H LYS A 15 8.771 9.899 -2.950 1.00 0.00 H new ATOM 0 HA LYS A 15 6.669 11.364 -3.939 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.759 10.704 -6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.538 11.789 -5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.191 10.333 -6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.033 9.955 -4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.722 7.959 -4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.619 8.382 -6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.309 6.625 -6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.065 8.087 -6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.036 6.795 -4.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.087 8.491 -4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.903 7.705 -3.869 1.00 0.00 H new ATOM 214 N GLY A 16 4.807 9.783 -4.259 1.00 0.00 N ATOM 215 CA GLY A 16 3.600 9.040 -4.598 1.00 0.00 C ATOM 216 C GLY A 16 3.756 7.535 -4.381 1.00 0.00 C ATOM 217 O GLY A 16 3.134 6.742 -5.089 1.00 0.00 O ATOM 0 H GLY A 16 4.614 10.583 -3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.770 9.406 -3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.342 9.228 -5.640 1.00 0.00 H new ATOM 221 N THR A 17 4.588 7.133 -3.419 1.00 0.00 N ATOM 222 CA THR A 17 4.880 5.733 -3.165 1.00 0.00 C ATOM 223 C THR A 17 4.997 5.465 -1.666 1.00 0.00 C ATOM 224 O THR A 17 5.154 6.393 -0.873 1.00 0.00 O ATOM 225 CB THR A 17 6.211 5.374 -3.857 1.00 0.00 C ATOM 226 OG1 THR A 17 7.135 6.421 -3.646 1.00 0.00 O ATOM 227 CG2 THR A 17 6.130 5.173 -5.368 1.00 0.00 C ATOM 0 H THR A 17 5.077 7.776 -2.796 1.00 0.00 H new ATOM 0 HA THR A 17 4.068 5.122 -3.559 1.00 0.00 H new ATOM 0 HB THR A 17 6.507 4.423 -3.415 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.953 7.150 -4.275 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.118 4.925 -5.755 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.438 4.361 -5.590 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.776 6.090 -5.839 1.00 0.00 H new ATOM 235 N CYS A 18 4.940 4.185 -1.292 1.00 0.00 N ATOM 236 CA CYS A 18 5.178 3.690 0.053 1.00 0.00 C ATOM 237 C CYS A 18 5.967 2.388 -0.087 1.00 0.00 C ATOM 238 O CYS A 18 5.975 1.774 -1.155 1.00 0.00 O ATOM 239 CB CYS A 18 3.865 3.484 0.820 1.00 0.00 C ATOM 240 SG CYS A 18 3.348 1.766 1.005 1.00 0.00 S ATOM 0 H CYS A 18 4.717 3.439 -1.951 1.00 0.00 H new ATOM 0 HA CYS A 18 5.745 4.416 0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.969 3.925 1.812 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.074 4.032 0.309 1.00 0.00 H new ATOM 245 N CYS A 19 6.628 1.946 0.975 1.00 0.00 N ATOM 246 CA CYS A 19 7.396 0.715 0.961 1.00 0.00 C ATOM 247 C CYS A 19 6.453 -0.478 1.128 1.00 0.00 C ATOM 248 O CYS A 19 5.560 -0.431 1.975 1.00 0.00 O ATOM 249 CB CYS A 19 8.414 0.787 2.098 1.00 0.00 C ATOM 250 SG CYS A 19 9.402 -0.698 2.325 1.00 0.00 S ATOM 0 H CYS A 19 6.645 2.434 1.870 1.00 0.00 H new ATOM 0 HA CYS A 19 7.922 0.588 0.015 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.084 1.627 1.914 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.885 0.999 3.027 1.00 0.00 H new ATOM 255 N ALA A 20 6.573 -1.539 0.322 1.00 0.00 N ATOM 256 CA ALA A 20 5.697 -2.697 0.481 1.00 0.00 C ATOM 257 C ALA A 20 6.314 -3.961 -0.111 1.00 0.00 C ATOM 258 O ALA A 20 7.138 -3.880 -1.016 1.00 0.00 O ATOM 259 CB ALA A 20 4.341 -2.421 -0.174 1.00 0.00 C ATOM 0 H ALA A 20 7.255 -1.617 -0.432 1.00 0.00 H new ATOM 0 HA ALA A 20 5.560 -2.864 1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.694 -3.289 -0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.879 -1.554 0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.484 -2.223 -1.236 1.00 0.00 H new ATOM 265 N VAL A 21 5.933 -5.123 0.429 1.00 0.00 N ATOM 266 CA VAL A 21 6.362 -6.438 -0.038 1.00 0.00 C ATOM 267 C VAL A 21 6.259 -6.530 -1.569 1.00 0.00 C ATOM 268 O VAL A 21 5.321 -6.008 -2.165 1.00 0.00 O ATOM 269 CB VAL A 21 5.554 -7.565 0.645 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.255 -8.905 0.445 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.336 -7.350 2.151 1.00 0.00 C ATOM 0 H VAL A 21 5.299 -5.172 1.226 1.00 0.00 H new ATOM 0 HA VAL A 21 7.408 -6.570 0.239 1.00 0.00 H new ATOM 0 HB VAL A 21 4.573 -7.554 0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.679 -9.693 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.336 -9.118 -0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.252 -8.863 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.762 -8.182 2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.301 -7.295 2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.790 -6.420 2.311 1.00 0.00 H new ATOM 281 N SER A 22 7.227 -7.178 -2.221 1.00 0.00 N ATOM 282 CA SER A 22 7.232 -7.312 -3.668 1.00 0.00 C ATOM 283 C SER A 22 6.106 -8.230 -4.139 1.00 0.00 C ATOM 284 O SER A 22 5.794 -9.246 -3.518 1.00 0.00 O ATOM 285 CB SER A 22 8.596 -7.827 -4.144 1.00 0.00 C ATOM 286 OG SER A 22 8.570 -8.261 -5.496 1.00 0.00 O ATOM 0 H SER A 22 8.022 -7.620 -1.759 1.00 0.00 H new ATOM 0 HA SER A 22 7.059 -6.329 -4.107 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.338 -7.037 -4.033 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.912 -8.653 -3.506 1.00 0.00 H new ATOM 0 HG SER A 22 8.352 -7.504 -6.079 1.00 0.00 H new ATOM 292 N LEU A 23 5.506 -7.862 -5.270 1.00 0.00 N ATOM 293 CA LEU A 23 4.494 -8.640 -5.971 1.00 0.00 C ATOM 294 C LEU A 23 5.180 -9.737 -6.797 1.00 0.00 C ATOM 295 O LEU A 23 4.511 -10.643 -7.285 1.00 0.00 O ATOM 296 CB LEU A 23 3.725 -7.696 -6.916 1.00 0.00 C ATOM 297 CG LEU A 23 2.627 -6.827 -6.275 1.00 0.00 C ATOM 298 CD1 LEU A 23 1.346 -7.648 -6.152 1.00 0.00 C ATOM 299 CD2 LEU A 23 2.986 -6.272 -4.894 1.00 0.00 C ATOM 0 H LEU A 23 5.721 -6.981 -5.738 1.00 0.00 H new ATOM 0 HA LEU A 23 3.810 -9.100 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.445 -7.035 -7.398 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.269 -8.298 -7.702 1.00 0.00 H new ATOM 0 HG LEU A 23 2.501 -5.967 -6.933 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.565 -7.038 -5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.025 -7.972 -7.142 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.532 -8.522 -5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.158 -5.672 -4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.178 -7.098 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.878 -5.650 -4.972 1.00 0.00 H new ATOM 311 N TRP A 24 6.505 -9.648 -6.960 1.00 0.00 N ATOM 312 CA TRP A 24 7.288 -10.493 -7.849 1.00 0.00 C ATOM 313 C TRP A 24 8.039 -11.569 -7.066 1.00 0.00 C ATOM 314 O TRP A 24 8.092 -12.719 -7.492 1.00 0.00 O ATOM 315 CB TRP A 24 8.200 -9.570 -8.676 1.00 0.00 C ATOM 316 CG TRP A 24 7.568 -8.241 -9.001 1.00 0.00 C ATOM 317 CD1 TRP A 24 8.029 -7.037 -8.590 1.00 0.00 C ATOM 318 CD2 TRP A 24 6.244 -7.980 -9.565 1.00 0.00 C ATOM 319 NE1 TRP A 24 7.082 -6.062 -8.834 1.00 0.00 N ATOM 320 CE2 TRP A 24 5.964 -6.589 -9.439 1.00 0.00 C ATOM 321 CE3 TRP A 24 5.204 -8.789 -10.072 1.00 0.00 C ATOM 322 CZ2 TRP A 24 4.727 -6.033 -9.792 1.00 0.00 C ATOM 323 CZ3 TRP A 24 3.962 -8.243 -10.444 1.00 0.00 C ATOM 324 CH2 TRP A 24 3.712 -6.872 -10.271 1.00 0.00 C ATOM 0 H TRP A 24 7.072 -8.964 -6.459 1.00 0.00 H new ATOM 0 HA TRP A 24 6.649 -11.050 -8.534 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.126 -9.399 -8.127 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.468 -10.073 -9.605 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.995 -6.864 -8.138 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.197 -5.077 -8.596 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.366 -9.852 -10.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 4.558 -4.971 -9.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.198 -8.880 -10.864 1.00 0.00 H new ATOM 0 HH2 TRP A 24 2.740 -6.465 -10.507 1.00 0.00 H new ATOM 335 N ILE A 25 8.613 -11.204 -5.915 1.00 0.00 N ATOM 336 CA ILE A 25 9.316 -12.124 -5.040 1.00 0.00 C ATOM 337 C ILE A 25 9.217 -11.586 -3.612 1.00 0.00 C ATOM 338 O ILE A 25 9.976 -10.701 -3.227 1.00 0.00 O ATOM 339 CB ILE A 25 10.756 -12.363 -5.533 1.00 0.00 C ATOM 340 CG1 ILE A 25 11.415 -13.384 -4.600 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.617 -11.096 -5.650 1.00 0.00 C ATOM 342 CD1 ILE A 25 12.673 -14.014 -5.203 1.00 0.00 C ATOM 0 H ILE A 25 8.597 -10.245 -5.568 1.00 0.00 H new ATOM 0 HA ILE A 25 8.857 -13.113 -5.053 1.00 0.00 H new ATOM 0 HB ILE A 25 10.689 -12.738 -6.554 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.673 -12.896 -3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.698 -14.170 -4.365 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.613 -11.364 -6.004 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.155 -10.406 -6.356 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.695 -10.618 -4.674 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.096 -14.729 -4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.415 -14.528 -6.129 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.405 -13.235 -5.413 1.00 0.00 H new ATOM 354 N LYS A 26 8.281 -12.127 -2.826 1.00 0.00 N ATOM 355 CA LYS A 26 7.977 -11.672 -1.472 1.00 0.00 C ATOM 356 C LYS A 26 9.196 -11.512 -0.556 1.00 0.00 C ATOM 357 O LYS A 26 9.129 -10.765 0.416 1.00 0.00 O ATOM 358 CB LYS A 26 6.921 -12.578 -0.826 1.00 0.00 C ATOM 359 CG LYS A 26 5.581 -12.495 -1.571 1.00 0.00 C ATOM 360 CD LYS A 26 4.476 -13.298 -0.868 1.00 0.00 C ATOM 361 CE LYS A 26 4.081 -12.694 0.487 1.00 0.00 C ATOM 362 NZ LYS A 26 2.860 -13.323 1.019 1.00 0.00 N ATOM 0 H LYS A 26 7.702 -12.912 -3.124 1.00 0.00 H new ATOM 0 HA LYS A 26 7.579 -10.664 -1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.275 -13.609 -0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.779 -12.289 0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.275 -11.452 -1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.708 -12.868 -2.587 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.598 -13.342 -1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.815 -14.323 -0.720 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.898 -12.823 1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.921 -11.621 0.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.619 -12.893 1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.076 -13.178 0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.022 -14.342 1.147 1.00 0.00 H new ATOM 376 N SER A 27 10.304 -12.199 -0.843 1.00 0.00 N ATOM 377 CA SER A 27 11.539 -12.065 -0.089 1.00 0.00 C ATOM 378 C SER A 27 12.020 -10.607 -0.066 1.00 0.00 C ATOM 379 O SER A 27 12.694 -10.192 0.873 1.00 0.00 O ATOM 380 CB SER A 27 12.593 -12.968 -0.738 1.00 0.00 C ATOM 381 OG SER A 27 11.979 -14.159 -1.204 1.00 0.00 O ATOM 0 H SER A 27 10.363 -12.867 -1.612 1.00 0.00 H new ATOM 0 HA SER A 27 11.370 -12.364 0.946 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.073 -12.446 -1.566 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.374 -13.208 -0.017 1.00 0.00 H new ATOM 0 HG SER A 27 12.655 -14.734 -1.620 1.00 0.00 H new ATOM 387 N VAL A 28 11.706 -9.853 -1.124 1.00 0.00 N ATOM 388 CA VAL A 28 12.060 -8.455 -1.301 1.00 0.00 C ATOM 389 C VAL A 28 10.815 -7.591 -1.076 1.00 0.00 C ATOM 390 O VAL A 28 9.686 -8.054 -1.236 1.00 0.00 O ATOM 391 CB VAL A 28 12.619 -8.284 -2.730 1.00 0.00 C ATOM 392 CG1 VAL A 28 12.913 -6.823 -3.092 1.00 0.00 C ATOM 393 CG2 VAL A 28 13.906 -9.102 -2.905 1.00 0.00 C ATOM 0 H VAL A 28 11.174 -10.224 -1.911 1.00 0.00 H new ATOM 0 HA VAL A 28 12.818 -8.141 -0.584 1.00 0.00 H new ATOM 0 HB VAL A 28 11.840 -8.644 -3.401 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.303 -6.771 -4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.994 -6.240 -3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.651 -6.418 -2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.286 -8.970 -3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.654 -8.761 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.693 -10.157 -2.732 1.00 0.00 H new ATOM 403 N ARG A 29 11.020 -6.322 -0.719 1.00 0.00 N ATOM 404 CA ARG A 29 9.986 -5.307 -0.588 1.00 0.00 C ATOM 405 C ARG A 29 10.482 -4.099 -1.392 1.00 0.00 C ATOM 406 O ARG A 29 11.680 -3.809 -1.382 1.00 0.00 O ATOM 407 CB ARG A 29 9.664 -5.015 0.889 1.00 0.00 C ATOM 408 CG ARG A 29 10.912 -4.923 1.766 1.00 0.00 C ATOM 409 CD ARG A 29 10.676 -4.152 3.070 1.00 0.00 C ATOM 410 NE ARG A 29 9.491 -4.613 3.809 1.00 0.00 N ATOM 411 CZ ARG A 29 9.452 -5.692 4.599 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.502 -6.514 4.698 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.341 -5.928 5.293 1.00 0.00 N ATOM 0 H ARG A 29 11.951 -5.964 -0.506 1.00 0.00 H new ATOM 0 HA ARG A 29 9.026 -5.632 -0.989 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.110 -4.079 0.956 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.013 -5.799 1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.257 -5.929 2.003 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.709 -4.437 1.203 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.555 -4.251 3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.565 -3.092 2.843 1.00 0.00 H new ATOM 0 HE ARG A 29 8.634 -4.069 3.712 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.351 -6.323 4.166 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.454 -7.332 5.306 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.546 -5.293 5.215 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.284 -6.744 5.903 1.00 0.00 H new ATOM 427 N VAL A 30 9.586 -3.450 -2.143 1.00 0.00 N ATOM 428 CA VAL A 30 9.897 -2.362 -3.057 1.00 0.00 C ATOM 429 C VAL A 30 8.991 -1.153 -2.823 1.00 0.00 C ATOM 430 O VAL A 30 7.888 -1.262 -2.278 1.00 0.00 O ATOM 431 CB VAL A 30 9.785 -2.849 -4.518 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.663 -4.078 -4.783 1.00 0.00 C ATOM 433 CG2 VAL A 30 8.340 -3.186 -4.916 1.00 0.00 C ATOM 0 H VAL A 30 8.593 -3.681 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 30 10.922 -2.044 -2.865 1.00 0.00 H new ATOM 0 HB VAL A 30 10.135 -2.015 -5.126 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.553 -4.386 -5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.706 -3.829 -4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.355 -4.893 -4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.317 -3.523 -5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.959 -3.976 -4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.717 -2.298 -4.810 1.00 0.00 H new ATOM 443 N CYS A 31 9.476 0.013 -3.256 1.00 0.00 N ATOM 444 CA CYS A 31 8.732 1.259 -3.201 1.00 0.00 C ATOM 445 C CYS A 31 7.605 1.151 -4.218 1.00 0.00 C ATOM 446 O CYS A 31 7.823 1.305 -5.417 1.00 0.00 O ATOM 447 CB CYS A 31 9.647 2.446 -3.505 1.00 0.00 C ATOM 448 SG CYS A 31 10.748 2.931 -2.161 1.00 0.00 S ATOM 0 H CYS A 31 10.408 0.112 -3.658 1.00 0.00 H new ATOM 0 HA CYS A 31 8.324 1.427 -2.204 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.252 2.204 -4.379 1.00 0.00 H new ATOM 0 HB3 CYS A 31 9.028 3.302 -3.773 1.00 0.00 H new ATOM 453 N THR A 32 6.408 0.865 -3.721 1.00 0.00 N ATOM 454 CA THR A 32 5.212 0.609 -4.498 1.00 0.00 C ATOM 455 C THR A 32 4.354 1.883 -4.525 1.00 0.00 C ATOM 456 O THR A 32 4.322 2.599 -3.524 1.00 0.00 O ATOM 457 CB THR A 32 4.505 -0.572 -3.816 1.00 0.00 C ATOM 458 OG1 THR A 32 5.411 -1.658 -3.714 1.00 0.00 O ATOM 459 CG2 THR A 32 3.264 -1.048 -4.573 1.00 0.00 C ATOM 0 H THR A 32 6.242 0.803 -2.716 1.00 0.00 H new ATOM 0 HA THR A 32 5.421 0.353 -5.537 1.00 0.00 H new ATOM 0 HB THR A 32 4.180 -0.223 -2.836 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.121 -1.433 -3.077 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.811 -1.884 -4.040 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.546 -0.231 -4.645 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.550 -1.369 -5.575 1.00 0.00 H new ATOM 467 N PRO A 33 3.699 2.231 -5.648 1.00 0.00 N ATOM 468 CA PRO A 33 2.836 3.404 -5.727 1.00 0.00 C ATOM 469 C PRO A 33 1.740 3.405 -4.661 1.00 0.00 C ATOM 470 O PRO A 33 1.295 2.338 -4.237 1.00 0.00 O ATOM 471 CB PRO A 33 2.213 3.362 -7.125 1.00 0.00 C ATOM 472 CG PRO A 33 3.264 2.625 -7.950 1.00 0.00 C ATOM 473 CD PRO A 33 3.818 1.604 -6.956 1.00 0.00 C ATOM 0 HA PRO A 33 3.416 4.310 -5.551 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.258 2.836 -7.125 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.025 4.363 -7.513 1.00 0.00 H new ATOM 0 HG2 PRO A 33 2.827 2.143 -8.824 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.040 3.299 -8.312 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.255 0.671 -6.997 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.856 1.360 -7.181 1.00 0.00 H new ATOM 481 N VAL A 34 1.296 4.592 -4.226 1.00 0.00 N ATOM 482 CA VAL A 34 0.146 4.664 -3.326 1.00 0.00 C ATOM 483 C VAL A 34 -1.069 4.053 -4.041 1.00 0.00 C ATOM 484 O VAL A 34 -1.189 4.140 -5.263 1.00 0.00 O ATOM 485 CB VAL A 34 -0.166 6.101 -2.859 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.716 6.540 -1.686 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.065 7.127 -3.989 1.00 0.00 C ATOM 0 H VAL A 34 1.706 5.492 -4.477 1.00 0.00 H new ATOM 0 HA VAL A 34 0.385 4.102 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.202 6.069 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.456 7.558 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.557 5.870 -0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.764 6.504 -1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.295 8.119 -3.601 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.946 7.122 -4.396 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.774 6.872 -4.776 1.00 0.00 H new ATOM 497 N GLY A 35 -1.966 3.426 -3.280 1.00 0.00 N ATOM 498 CA GLY A 35 -3.156 2.794 -3.832 1.00 0.00 C ATOM 499 C GLY A 35 -4.076 3.781 -4.551 1.00 0.00 C ATOM 500 O GLY A 35 -4.050 4.977 -4.274 1.00 0.00 O ATOM 0 H GLY A 35 -1.885 3.344 -2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.855 2.012 -4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.710 2.309 -3.028 1.00 0.00 H new ATOM 504 N THR A 36 -4.891 3.299 -5.486 1.00 0.00 N ATOM 505 CA THR A 36 -5.888 4.123 -6.161 1.00 0.00 C ATOM 506 C THR A 36 -7.187 3.333 -6.382 1.00 0.00 C ATOM 507 O THR A 36 -7.333 2.201 -5.917 1.00 0.00 O ATOM 508 CB THR A 36 -5.301 4.775 -7.427 1.00 0.00 C ATOM 509 OG1 THR A 36 -6.191 5.760 -7.917 1.00 0.00 O ATOM 510 CG2 THR A 36 -4.993 3.782 -8.549 1.00 0.00 C ATOM 0 H THR A 36 -4.878 2.327 -5.796 1.00 0.00 H new ATOM 0 HA THR A 36 -6.167 4.959 -5.520 1.00 0.00 H new ATOM 0 HB THR A 36 -4.352 5.217 -7.124 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.600 5.446 -8.750 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.583 4.317 -9.406 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.267 3.049 -8.197 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.909 3.271 -8.845 1.00 0.00 H new ATOM 518 N SER A 37 -8.124 3.955 -7.098 1.00 0.00 N ATOM 519 CA SER A 37 -9.460 3.481 -7.415 1.00 0.00 C ATOM 520 C SER A 37 -9.540 1.986 -7.729 1.00 0.00 C ATOM 521 O SER A 37 -9.011 1.531 -8.740 1.00 0.00 O ATOM 522 CB SER A 37 -9.960 4.305 -8.605 1.00 0.00 C ATOM 523 OG SER A 37 -9.698 5.676 -8.355 1.00 0.00 O ATOM 0 H SER A 37 -7.949 4.876 -7.500 1.00 0.00 H new ATOM 0 HA SER A 37 -10.085 3.612 -6.532 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.461 3.987 -9.520 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.028 4.146 -8.752 1.00 0.00 H new ATOM 0 HG SER A 37 -8.907 5.956 -8.862 1.00 0.00 H new ATOM 529 N GLY A 38 -10.223 1.229 -6.868 1.00 0.00 N ATOM 530 CA GLY A 38 -10.484 -0.188 -7.056 1.00 0.00 C ATOM 531 C GLY A 38 -9.322 -1.100 -6.671 1.00 0.00 C ATOM 532 O GLY A 38 -9.512 -2.314 -6.620 1.00 0.00 O ATOM 0 H GLY A 38 -10.616 1.599 -6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.358 -0.465 -6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.736 -0.363 -8.102 1.00 0.00 H new ATOM 536 N GLU A 39 -8.129 -0.563 -6.398 1.00 0.00 N ATOM 537 CA GLU A 39 -7.006 -1.412 -6.035 1.00 0.00 C ATOM 538 C GLU A 39 -7.192 -1.963 -4.623 1.00 0.00 C ATOM 539 O GLU A 39 -7.864 -1.345 -3.792 1.00 0.00 O ATOM 540 CB GLU A 39 -5.692 -0.638 -6.139 1.00 0.00 C ATOM 541 CG GLU A 39 -5.444 -0.164 -7.577 1.00 0.00 C ATOM 542 CD GLU A 39 -4.063 0.461 -7.722 1.00 0.00 C ATOM 543 OE1 GLU A 39 -3.631 1.103 -6.740 1.00 0.00 O ATOM 544 OE2 GLU A 39 -3.470 0.295 -8.809 1.00 0.00 O ATOM 0 H GLU A 39 -7.924 0.436 -6.422 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.966 -2.249 -6.732 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.718 0.221 -5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.866 -1.271 -5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.538 -1.007 -8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.206 0.562 -7.859 1.00 0.00 H new ATOM 551 N ASP A 40 -6.587 -3.128 -4.366 1.00 0.00 N ATOM 552 CA ASP A 40 -6.617 -3.761 -3.056 1.00 0.00 C ATOM 553 C ASP A 40 -5.906 -2.847 -2.057 1.00 0.00 C ATOM 554 O ASP A 40 -4.938 -2.178 -2.421 1.00 0.00 O ATOM 555 CB ASP A 40 -5.968 -5.148 -3.110 1.00 0.00 C ATOM 556 CG ASP A 40 -6.260 -5.940 -1.838 1.00 0.00 C ATOM 557 OD1 ASP A 40 -5.505 -5.750 -0.861 1.00 0.00 O ATOM 558 OD2 ASP A 40 -7.231 -6.727 -1.872 1.00 0.00 O ATOM 0 H ASP A 40 -6.064 -3.654 -5.066 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.649 -3.906 -2.736 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.341 -5.694 -3.976 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.891 -5.044 -3.239 1.00 0.00 H new ATOM 563 N CYS A 41 -6.378 -2.808 -0.813 1.00 0.00 N ATOM 564 CA CYS A 41 -5.856 -1.917 0.212 1.00 0.00 C ATOM 565 C CYS A 41 -5.844 -2.599 1.569 1.00 0.00 C ATOM 566 O CYS A 41 -6.589 -3.548 1.810 1.00 0.00 O ATOM 567 CB CYS A 41 -6.743 -0.678 0.280 1.00 0.00 C ATOM 568 SG CYS A 41 -8.429 -1.024 0.835 1.00 0.00 S ATOM 0 H CYS A 41 -7.141 -3.401 -0.488 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.832 -1.644 -0.044 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.289 0.047 0.955 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.782 -0.215 -0.706 1.00 0.00 H new ATOM 573 N HIS A 42 -5.002 -2.083 2.466 1.00 0.00 N ATOM 574 CA HIS A 42 -4.857 -2.602 3.812 1.00 0.00 C ATOM 575 C HIS A 42 -5.653 -1.726 4.783 1.00 0.00 C ATOM 576 O HIS A 42 -5.404 -0.520 4.835 1.00 0.00 O ATOM 577 CB HIS A 42 -3.376 -2.607 4.193 1.00 0.00 C ATOM 578 CG HIS A 42 -3.115 -3.536 5.339 1.00 0.00 C ATOM 579 ND1 HIS A 42 -3.623 -3.300 6.616 1.00 0.00 N ATOM 580 CD2 HIS A 42 -2.492 -4.752 5.325 1.00 0.00 C ATOM 581 CE1 HIS A 42 -3.244 -4.368 7.326 1.00 0.00 C ATOM 582 NE2 HIS A 42 -2.565 -5.268 6.599 1.00 0.00 N ATOM 0 H HIS A 42 -4.399 -1.285 2.269 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.240 -3.621 3.861 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.778 -2.909 3.333 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.063 -1.598 4.461 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.027 -5.222 4.471 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.462 -4.493 8.376 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.181 -6.155 6.924 1.00 0.00 H new ATOM 590 N PRO A 43 -6.583 -2.275 5.581 1.00 0.00 N ATOM 591 CA PRO A 43 -7.354 -1.471 6.519 1.00 0.00 C ATOM 592 C PRO A 43 -6.477 -0.754 7.552 1.00 0.00 C ATOM 593 O PRO A 43 -6.925 0.233 8.130 1.00 0.00 O ATOM 594 CB PRO A 43 -8.341 -2.435 7.182 1.00 0.00 C ATOM 595 CG PRO A 43 -7.683 -3.803 7.018 1.00 0.00 C ATOM 596 CD PRO A 43 -6.965 -3.676 5.676 1.00 0.00 C ATOM 0 HA PRO A 43 -7.869 -0.665 5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.495 -2.189 8.233 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.318 -2.401 6.700 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.988 -4.017 7.830 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.419 -4.607 7.008 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.091 -4.326 5.633 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.617 -3.964 4.851 1.00 0.00 H new ATOM 604 N ALA A 44 -5.231 -1.197 7.769 1.00 0.00 N ATOM 605 CA ALA A 44 -4.331 -0.578 8.733 1.00 0.00 C ATOM 606 C ALA A 44 -3.348 0.379 8.050 1.00 0.00 C ATOM 607 O ALA A 44 -2.290 0.642 8.617 1.00 0.00 O ATOM 608 CB ALA A 44 -3.571 -1.678 9.482 1.00 0.00 C ATOM 0 H ALA A 44 -4.826 -1.994 7.278 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.921 0.011 9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.894 -1.224 10.206 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.281 -2.321 10.002 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.996 -2.272 8.771 1.00 0.00 H new ATOM 614 N SER A 45 -3.679 0.873 6.845 1.00 0.00 N ATOM 615 CA SER A 45 -2.900 1.816 6.054 1.00 0.00 C ATOM 616 C SER A 45 -2.068 2.778 6.913 1.00 0.00 C ATOM 617 O SER A 45 -2.619 3.674 7.549 1.00 0.00 O ATOM 618 CB SER A 45 -3.870 2.618 5.183 1.00 0.00 C ATOM 619 OG SER A 45 -4.305 1.866 4.068 1.00 0.00 O ATOM 0 H SER A 45 -4.546 0.605 6.379 1.00 0.00 H new ATOM 0 HA SER A 45 -2.192 1.247 5.451 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.732 2.920 5.779 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.384 3.531 4.840 1.00 0.00 H new ATOM 0 HG SER A 45 -4.662 1.006 4.373 1.00 0.00 H new ATOM 625 N HIS A 46 -0.742 2.605 6.909 1.00 0.00 N ATOM 626 CA HIS A 46 0.156 3.436 7.695 1.00 0.00 C ATOM 627 C HIS A 46 0.090 4.909 7.282 1.00 0.00 C ATOM 628 O HIS A 46 -0.075 5.241 6.110 1.00 0.00 O ATOM 629 CB HIS A 46 1.594 2.921 7.586 1.00 0.00 C ATOM 630 CG HIS A 46 1.821 1.588 8.242 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.102 0.434 7.508 1.00 0.00 N ATOM 632 CD2 HIS A 46 1.828 1.283 9.573 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.274 -0.517 8.436 1.00 0.00 C ATOM 634 NE2 HIS A 46 2.132 -0.056 9.688 1.00 0.00 N ATOM 0 H HIS A 46 -0.269 1.886 6.361 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.172 3.372 8.733 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.862 2.845 6.532 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.266 3.653 8.034 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.631 1.966 10.386 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.503 -1.546 8.201 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.230 -0.590 10.552 1.00 0.00 H new ATOM 642 N LYS A 47 0.294 5.796 8.256 1.00 0.00 N ATOM 643 CA LYS A 47 0.246 7.249 8.128 1.00 0.00 C ATOM 644 C LYS A 47 1.492 7.848 7.444 1.00 0.00 C ATOM 645 O LYS A 47 2.051 8.809 7.959 1.00 0.00 O ATOM 646 CB LYS A 47 0.008 7.836 9.537 1.00 0.00 C ATOM 647 CG LYS A 47 0.881 7.248 10.670 1.00 0.00 C ATOM 648 CD LYS A 47 2.382 7.215 10.342 1.00 0.00 C ATOM 649 CE LYS A 47 3.204 6.597 11.474 1.00 0.00 C ATOM 650 NZ LYS A 47 4.644 6.679 11.169 1.00 0.00 N ATOM 0 H LYS A 47 0.509 5.501 9.208 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.574 7.521 7.463 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.178 8.912 9.495 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.040 7.689 9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.729 7.836 11.575 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.544 6.235 10.887 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.540 6.645 9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.733 8.229 10.151 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.994 7.116 12.409 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.915 5.556 11.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.091 5.758 11.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.773 6.934 10.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.086 7.403 11.771 1.00 0.00 H new ATOM 664 N ILE A 48 1.926 7.260 6.321 1.00 0.00 N ATOM 665 CA ILE A 48 3.107 7.597 5.506 1.00 0.00 C ATOM 666 C ILE A 48 3.816 8.901 5.933 1.00 0.00 C ATOM 667 O ILE A 48 3.222 9.971 5.793 1.00 0.00 O ATOM 668 CB ILE A 48 2.749 7.690 4.003 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.008 6.436 3.511 1.00 0.00 C ATOM 670 CG2 ILE A 48 4.016 7.907 3.154 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.797 6.426 1.992 1.00 0.00 C ATOM 0 H ILE A 48 1.419 6.469 5.924 1.00 0.00 H new ATOM 0 HA ILE A 48 3.803 6.776 5.678 1.00 0.00 H new ATOM 0 HB ILE A 48 2.083 8.545 3.887 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.572 5.550 3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.040 6.374 4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.742 7.970 2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.503 8.833 3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.700 7.072 3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.269 5.517 1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.208 7.296 1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.764 6.458 1.490 1.00 0.00 H new ATOM 683 N PRO A 49 5.098 8.873 6.341 1.00 0.00 N ATOM 684 CA PRO A 49 6.027 7.754 6.245 1.00 0.00 C ATOM 685 C PRO A 49 6.071 6.888 7.510 1.00 0.00 C ATOM 686 O PRO A 49 6.016 7.397 8.629 1.00 0.00 O ATOM 687 CB PRO A 49 7.390 8.412 6.021 1.00 0.00 C ATOM 688 CG PRO A 49 7.284 9.703 6.832 1.00 0.00 C ATOM 689 CD PRO A 49 5.820 10.100 6.644 1.00 0.00 C ATOM 0 HA PRO A 49 5.725 7.075 5.447 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.206 7.780 6.372 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.573 8.612 4.965 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.528 9.542 7.882 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.963 10.471 6.461 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.426 10.570 7.545 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.714 10.823 5.835 1.00 0.00 H new ATOM 697 N PHE A 50 6.207 5.572 7.330 1.00 0.00 N ATOM 698 CA PHE A 50 6.381 4.591 8.387 1.00 0.00 C ATOM 699 C PHE A 50 7.815 4.054 8.337 1.00 0.00 C ATOM 700 O PHE A 50 8.234 3.466 7.341 1.00 0.00 O ATOM 701 CB PHE A 50 5.356 3.477 8.192 1.00 0.00 C ATOM 702 CG PHE A 50 5.334 2.442 9.298 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.732 2.728 10.536 1.00 0.00 C ATOM 704 CD2 PHE A 50 5.912 1.182 9.081 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.683 1.743 11.537 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.819 0.179 10.060 1.00 0.00 C ATOM 707 CZ PHE A 50 5.213 0.463 11.295 1.00 0.00 C ATOM 0 H PHE A 50 6.198 5.150 6.401 1.00 0.00 H new ATOM 0 HA PHE A 50 6.221 5.038 9.368 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.365 3.923 8.109 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.559 2.975 7.246 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.307 3.704 10.718 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.432 0.982 8.156 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.237 1.969 12.494 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.212 -0.808 9.864 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.154 -0.300 12.057 1.00 0.00 H new ATOM 717 N SER A 51 8.570 4.274 9.417 1.00 0.00 N ATOM 718 CA SER A 51 9.962 3.871 9.560 1.00 0.00 C ATOM 719 C SER A 51 10.143 2.357 9.724 1.00 0.00 C ATOM 720 O SER A 51 11.219 1.828 9.439 1.00 0.00 O ATOM 721 CB SER A 51 10.538 4.604 10.775 1.00 0.00 C ATOM 722 OG SER A 51 10.040 5.930 10.809 1.00 0.00 O ATOM 0 H SER A 51 8.211 4.755 10.242 1.00 0.00 H new ATOM 0 HA SER A 51 10.490 4.136 8.644 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.267 4.079 11.691 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.627 4.615 10.724 1.00 0.00 H new ATOM 0 HG SER A 51 10.408 6.398 11.588 1.00 0.00 H new ATOM 728 N GLY A 52 9.123 1.664 10.237 1.00 0.00 N ATOM 729 CA GLY A 52 9.199 0.228 10.447 1.00 0.00 C ATOM 730 C GLY A 52 9.159 -0.521 9.116 1.00 0.00 C ATOM 731 O GLY A 52 8.690 -0.001 8.103 1.00 0.00 O ATOM 0 H GLY A 52 8.235 2.082 10.513 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.118 -0.017 10.979 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.370 -0.096 11.076 1.00 0.00 H new ATOM 735 N GLN A 53 9.634 -1.767 9.115 1.00 0.00 N ATOM 736 CA GLN A 53 9.684 -2.588 7.914 1.00 0.00 C ATOM 737 C GLN A 53 8.299 -3.198 7.718 1.00 0.00 C ATOM 738 O GLN A 53 8.049 -4.368 8.004 1.00 0.00 O ATOM 739 CB GLN A 53 10.841 -3.593 8.013 1.00 0.00 C ATOM 740 CG GLN A 53 12.207 -2.921 7.764 1.00 0.00 C ATOM 741 CD GLN A 53 12.445 -1.675 8.621 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.857 -1.780 9.771 1.00 0.00 O ATOM 743 NE2 GLN A 53 12.135 -0.493 8.091 1.00 0.00 N ATOM 0 H GLN A 53 9.994 -2.232 9.949 1.00 0.00 H new ATOM 0 HA GLN A 53 9.906 -2.010 7.017 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.838 -4.055 9.000 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.691 -4.392 7.287 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.999 -3.644 7.961 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.281 -2.647 6.712 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.795 -0.438 7.131 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.238 0.357 8.645 1.00 0.00 H new ATOM 752 N ARG A 54 7.385 -2.339 7.267 1.00 0.00 N ATOM 753 CA ARG A 54 5.986 -2.656 7.057 1.00 0.00 C ATOM 754 C ARG A 54 5.831 -3.771 6.031 1.00 0.00 C ATOM 755 O ARG A 54 6.509 -3.781 5.005 1.00 0.00 O ATOM 756 CB ARG A 54 5.170 -1.408 6.671 1.00 0.00 C ATOM 757 CG ARG A 54 5.865 -0.435 5.705 1.00 0.00 C ATOM 758 CD ARG A 54 4.943 0.742 5.344 1.00 0.00 C ATOM 759 NE ARG A 54 4.236 0.483 4.086 1.00 0.00 N ATOM 760 CZ ARG A 54 3.104 -0.209 3.911 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.199 -0.295 4.888 1.00 0.00 N ATOM 762 NH2 ARG A 54 2.919 -0.817 2.736 1.00 0.00 N ATOM 0 H ARG A 54 7.613 -1.373 7.032 1.00 0.00 H new ATOM 0 HA ARG A 54 5.581 -3.016 8.003 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.233 -1.734 6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.914 -0.867 7.582 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.780 -0.057 6.161 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.156 -0.964 4.798 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.222 0.904 6.145 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.530 1.656 5.255 1.00 0.00 H new ATOM 0 HE ARG A 54 4.657 0.877 3.244 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.366 0.170 5.780 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.340 -0.825 4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.629 -0.745 2.007 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.068 -1.353 2.568 1.00 0.00 H new ATOM 776 N MET A 55 4.955 -4.730 6.339 1.00 0.00 N ATOM 777 CA MET A 55 4.611 -5.808 5.439 1.00 0.00 C ATOM 778 C MET A 55 3.524 -5.233 4.531 1.00 0.00 C ATOM 779 O MET A 55 3.830 -4.480 3.606 1.00 0.00 O ATOM 780 CB MET A 55 4.153 -7.031 6.254 1.00 0.00 C ATOM 781 CG MET A 55 5.309 -7.713 6.997 1.00 0.00 C ATOM 782 SD MET A 55 6.471 -8.625 5.950 1.00 0.00 S ATOM 783 CE MET A 55 7.467 -9.426 7.225 1.00 0.00 C ATOM 0 H MET A 55 4.465 -4.771 7.233 1.00 0.00 H new ATOM 0 HA MET A 55 5.446 -6.163 4.835 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.397 -6.720 6.974 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.680 -7.751 5.586 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.862 -6.954 7.549 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.891 -8.401 7.732 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.240 -10.034 6.755 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.935 -8.667 7.852 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.829 -10.061 7.839 1.00 0.00 H new ATOM 793 N HIS A 56 2.259 -5.550 4.822 1.00 0.00 N ATOM 794 CA HIS A 56 1.044 -5.119 4.129 1.00 0.00 C ATOM 795 C HIS A 56 0.908 -5.602 2.686 1.00 0.00 C ATOM 796 O HIS A 56 -0.207 -5.886 2.251 1.00 0.00 O ATOM 797 CB HIS A 56 0.861 -3.597 4.153 1.00 0.00 C ATOM 798 CG HIS A 56 0.385 -2.997 5.442 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.068 -1.681 5.449 1.00 0.00 N ATOM 800 CD2 HIS A 56 0.304 -3.510 6.709 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.464 -1.470 6.706 1.00 0.00 C ATOM 802 NE2 HIS A 56 -0.259 -2.530 7.502 1.00 0.00 N ATOM 0 H HIS A 56 2.043 -6.162 5.609 1.00 0.00 H new ATOM 0 HA HIS A 56 0.256 -5.603 4.706 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.814 -3.135 3.894 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.153 -3.327 3.370 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.620 -4.493 7.027 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.903 -0.544 7.046 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.476 -2.598 8.496 1.00 0.00 H new ATOM 810 N HIS A 57 1.993 -5.586 1.912 1.00 0.00 N ATOM 811 CA HIS A 57 2.073 -5.962 0.507 1.00 0.00 C ATOM 812 C HIS A 57 1.543 -4.843 -0.381 1.00 0.00 C ATOM 813 O HIS A 57 2.113 -4.525 -1.420 1.00 0.00 O ATOM 814 CB HIS A 57 1.348 -7.288 0.238 1.00 0.00 C ATOM 815 CG HIS A 57 1.975 -8.161 -0.802 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.868 -9.545 -0.709 1.00 0.00 N ATOM 817 CD2 HIS A 57 2.783 -7.847 -1.857 1.00 0.00 C ATOM 818 CE1 HIS A 57 2.643 -10.002 -1.690 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.260 -9.031 -2.371 1.00 0.00 N ATOM 0 H HIS A 57 2.898 -5.290 2.278 1.00 0.00 H new ATOM 0 HA HIS A 57 3.123 -6.116 0.259 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.291 -7.847 1.172 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.324 -7.068 -0.065 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.006 -6.855 -2.220 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.761 -11.052 -1.913 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.944 -9.145 -3.119 1.00 0.00 H new ATOM 827 N THR A 58 0.448 -4.239 0.063 1.00 0.00 N ATOM 828 CA THR A 58 -0.221 -3.129 -0.564 1.00 0.00 C ATOM 829 C THR A 58 0.204 -1.845 0.163 1.00 0.00 C ATOM 830 O THR A 58 0.848 -1.896 1.220 1.00 0.00 O ATOM 831 CB THR A 58 -1.727 -3.430 -0.505 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.156 -3.549 0.838 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.018 -4.762 -1.218 1.00 0.00 C ATOM 0 H THR A 58 -0.016 -4.536 0.921 1.00 0.00 H new ATOM 0 HA THR A 58 0.043 -2.985 -1.612 1.00 0.00 H new ATOM 0 HB THR A 58 -2.257 -2.611 -0.991 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.117 -3.739 0.859 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.087 -4.972 -1.174 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.704 -4.693 -2.260 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.470 -5.565 -0.726 1.00 0.00 H new ATOM 841 N CYS A 59 -0.105 -0.686 -0.424 1.00 0.00 N ATOM 842 CA CYS A 59 0.243 0.618 0.128 1.00 0.00 C ATOM 843 C CYS A 59 -1.020 1.394 0.470 1.00 0.00 C ATOM 844 O CYS A 59 -2.071 1.114 -0.108 1.00 0.00 O ATOM 845 CB CYS A 59 1.032 1.444 -0.896 1.00 0.00 C ATOM 846 SG CYS A 59 2.805 1.154 -0.899 1.00 0.00 S ATOM 0 H CYS A 59 -0.611 -0.630 -1.308 1.00 0.00 H new ATOM 0 HA CYS A 59 0.846 0.450 1.021 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.642 1.230 -1.891 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.852 2.502 -0.704 1.00 0.00 H new ATOM 851 N PRO A 60 -0.928 2.375 1.386 1.00 0.00 N ATOM 852 CA PRO A 60 -2.019 3.291 1.650 1.00 0.00 C ATOM 853 C PRO A 60 -2.442 3.933 0.332 1.00 0.00 C ATOM 854 O PRO A 60 -1.622 4.125 -0.568 1.00 0.00 O ATOM 855 CB PRO A 60 -1.470 4.331 2.630 1.00 0.00 C ATOM 856 CG PRO A 60 -0.380 3.547 3.357 1.00 0.00 C ATOM 857 CD PRO A 60 0.205 2.691 2.238 1.00 0.00 C ATOM 0 HA PRO A 60 -2.894 2.800 2.076 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.069 5.204 2.115 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.238 4.690 3.315 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.368 4.205 3.799 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.787 2.938 4.165 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.976 3.231 1.688 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.669 1.787 2.632 1.00 0.00 H new ATOM 865 N CYS A 61 -3.727 4.235 0.202 1.00 0.00 N ATOM 866 CA CYS A 61 -4.268 4.775 -1.030 1.00 0.00 C ATOM 867 C CYS A 61 -4.058 6.282 -1.097 1.00 0.00 C ATOM 868 O CYS A 61 -3.756 6.927 -0.094 1.00 0.00 O ATOM 869 CB CYS A 61 -5.737 4.393 -1.138 1.00 0.00 C ATOM 870 SG CYS A 61 -5.931 2.604 -1.095 1.00 0.00 S ATOM 0 H CYS A 61 -4.416 4.112 0.944 1.00 0.00 H new ATOM 0 HA CYS A 61 -3.740 4.350 -1.884 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.297 4.845 -0.319 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.154 4.787 -2.065 1.00 0.00 H new ATOM 875 N ALA A 62 -4.217 6.839 -2.297 1.00 0.00 N ATOM 876 CA ALA A 62 -4.089 8.254 -2.569 1.00 0.00 C ATOM 877 C ALA A 62 -4.975 9.030 -1.585 1.00 0.00 C ATOM 878 O ALA A 62 -6.172 8.735 -1.529 1.00 0.00 O ATOM 879 CB ALA A 62 -4.507 8.519 -4.012 1.00 0.00 C ATOM 0 H ALA A 62 -4.446 6.293 -3.127 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.057 8.582 -2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.414 9.583 -4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.863 7.954 -4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.542 8.209 -4.154 1.00 0.00 H new ATOM 885 N PRO A 63 -4.404 9.971 -0.806 1.00 0.00 N ATOM 886 CA PRO A 63 -5.088 10.800 0.187 1.00 0.00 C ATOM 887 C PRO A 63 -6.376 11.447 -0.321 1.00 0.00 C ATOM 888 O PRO A 63 -6.412 12.612 -0.709 1.00 0.00 O ATOM 889 CB PRO A 63 -4.052 11.823 0.651 1.00 0.00 C ATOM 890 CG PRO A 63 -2.784 10.983 0.585 1.00 0.00 C ATOM 891 CD PRO A 63 -2.970 10.201 -0.712 1.00 0.00 C ATOM 0 HA PRO A 63 -5.442 10.185 1.014 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.007 12.694 -0.003 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.254 12.191 1.657 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.888 11.603 0.560 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.690 10.322 1.447 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.603 10.765 -1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.419 9.261 -0.689 1.00 0.00 H new ATOM 899 N ASN A 64 -7.435 10.648 -0.280 1.00 0.00 N ATOM 900 CA ASN A 64 -8.781 10.931 -0.757 1.00 0.00 C ATOM 901 C ASN A 64 -9.602 9.645 -0.680 1.00 0.00 C ATOM 902 O ASN A 64 -10.700 9.641 -0.131 1.00 0.00 O ATOM 903 CB ASN A 64 -8.751 11.439 -2.210 1.00 0.00 C ATOM 904 CG ASN A 64 -10.089 11.241 -2.913 1.00 0.00 C ATOM 905 OD1 ASN A 64 -10.234 10.389 -3.783 1.00 0.00 O ATOM 906 ND2 ASN A 64 -11.083 12.021 -2.520 1.00 0.00 N ATOM 0 H ASN A 64 -7.368 9.712 0.119 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.228 11.707 -0.135 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.490 12.497 -2.219 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.971 10.914 -2.761 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.006 11.924 -2.944 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.927 12.719 -1.793 1.00 0.00 H new ATOM 913 N LEU A 65 -9.076 8.558 -1.250 1.00 0.00 N ATOM 914 CA LEU A 65 -9.794 7.293 -1.279 1.00 0.00 C ATOM 915 C LEU A 65 -9.785 6.629 0.096 1.00 0.00 C ATOM 916 O LEU A 65 -8.842 6.799 0.868 1.00 0.00 O ATOM 917 CB LEU A 65 -9.220 6.372 -2.361 1.00 0.00 C ATOM 918 CG LEU A 65 -9.544 6.901 -3.770 1.00 0.00 C ATOM 919 CD1 LEU A 65 -8.364 7.671 -4.365 1.00 0.00 C ATOM 920 CD2 LEU A 65 -9.886 5.741 -4.704 1.00 0.00 C ATOM 0 H LEU A 65 -8.158 8.534 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.835 7.491 -1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.140 6.292 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.629 5.369 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.396 7.574 -3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.628 8.030 -5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.124 8.520 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.498 7.013 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.113 6.128 -5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.037 5.061 -4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.753 5.205 -4.317 1.00 0.00 H new ATOM 932 N ALA A 66 -10.846 5.873 0.390 1.00 0.00 N ATOM 933 CA ALA A 66 -11.050 5.168 1.642 1.00 0.00 C ATOM 934 C ALA A 66 -10.946 3.665 1.395 1.00 0.00 C ATOM 935 O ALA A 66 -11.507 3.147 0.428 1.00 0.00 O ATOM 936 CB ALA A 66 -12.426 5.524 2.205 1.00 0.00 C ATOM 0 H ALA A 66 -11.612 5.735 -0.269 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.288 5.461 2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.582 4.996 3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.481 6.599 2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.197 5.232 1.492 1.00 0.00 H new ATOM 942 N CYS A 67 -10.210 2.970 2.267 1.00 0.00 N ATOM 943 CA CYS A 67 -10.029 1.528 2.191 1.00 0.00 C ATOM 944 C CYS A 67 -11.253 0.840 2.788 1.00 0.00 C ATOM 945 O CYS A 67 -11.433 0.891 4.003 1.00 0.00 O ATOM 946 CB CYS A 67 -8.758 1.122 2.946 1.00 0.00 C ATOM 947 SG CYS A 67 -8.442 -0.650 2.876 1.00 0.00 S ATOM 0 H CYS A 67 -9.721 3.402 3.051 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.921 1.222 1.150 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.905 1.656 2.526 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.845 1.430 3.988 1.00 0.00 H new ATOM 952 N VAL A 68 -12.093 0.212 1.958 1.00 0.00 N ATOM 953 CA VAL A 68 -13.332 -0.419 2.399 1.00 0.00 C ATOM 954 C VAL A 68 -13.408 -1.869 1.937 1.00 0.00 C ATOM 955 O VAL A 68 -12.838 -2.255 0.920 1.00 0.00 O ATOM 956 CB VAL A 68 -14.543 0.421 1.962 1.00 0.00 C ATOM 957 CG1 VAL A 68 -14.566 0.695 0.452 1.00 0.00 C ATOM 958 CG2 VAL A 68 -15.887 -0.178 2.396 1.00 0.00 C ATOM 0 H VAL A 68 -11.927 0.129 0.955 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.346 -0.453 3.488 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.414 1.370 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.444 1.292 0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.665 1.238 0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.606 -0.251 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.699 0.465 2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -16.001 -1.170 1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -15.917 -0.255 3.483 1.00 0.00 H new ATOM 968 N GLN A 69 -14.102 -2.688 2.723 1.00 0.00 N ATOM 969 CA GLN A 69 -14.269 -4.100 2.423 1.00 0.00 C ATOM 970 C GLN A 69 -15.363 -4.291 1.381 1.00 0.00 C ATOM 971 O GLN A 69 -16.408 -3.643 1.446 1.00 0.00 O ATOM 972 CB GLN A 69 -14.382 -4.922 3.718 1.00 0.00 C ATOM 973 CG GLN A 69 -15.746 -4.938 4.404 1.00 0.00 C ATOM 974 CD GLN A 69 -16.589 -6.071 3.834 1.00 0.00 C ATOM 975 OE1 GLN A 69 -16.489 -7.215 4.265 1.00 0.00 O ATOM 976 NE2 GLN A 69 -17.353 -5.783 2.793 1.00 0.00 N ATOM 0 H GLN A 69 -14.562 -2.389 3.583 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.380 -4.510 1.944 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -14.102 -5.951 3.493 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.649 -4.540 4.428 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.622 -5.068 5.479 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.251 -3.984 4.254 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -17.416 -4.822 2.457 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -17.879 -6.522 2.326 1.00 0.00 H new ATOM 985 N THR A 70 -15.119 -5.201 0.441 1.00 0.00 N ATOM 986 CA THR A 70 -16.079 -5.632 -0.566 1.00 0.00 C ATOM 987 C THR A 70 -16.666 -6.945 -0.040 1.00 0.00 C ATOM 988 O THR A 70 -17.865 -7.197 -0.134 1.00 0.00 O ATOM 989 CB THR A 70 -15.397 -5.770 -1.934 1.00 0.00 C ATOM 990 OG1 THR A 70 -14.290 -6.646 -1.881 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.914 -4.407 -2.438 1.00 0.00 C ATOM 0 H THR A 70 -14.218 -5.672 0.359 1.00 0.00 H new ATOM 0 HA THR A 70 -16.879 -4.909 -0.725 1.00 0.00 H new ATOM 0 HB THR A 70 -16.142 -6.179 -2.616 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.672 -6.350 -1.181 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.434 -4.527 -3.409 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.765 -3.733 -2.535 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.199 -3.989 -1.729 1.00 0.00 H new ATOM 999 N SER A 71 -15.825 -7.767 0.588 1.00 0.00 N ATOM 1000 CA SER A 71 -16.190 -8.955 1.340 1.00 0.00 C ATOM 1001 C SER A 71 -15.054 -9.134 2.358 1.00 0.00 C ATOM 1002 O SER A 71 -14.046 -8.432 2.233 1.00 0.00 O ATOM 1003 CB SER A 71 -16.361 -10.158 0.404 1.00 0.00 C ATOM 1004 OG SER A 71 -16.954 -9.775 -0.823 1.00 0.00 O ATOM 0 H SER A 71 -14.817 -7.608 0.582 1.00 0.00 H new ATOM 0 HA SER A 71 -17.150 -8.864 1.848 1.00 0.00 H new ATOM 0 HB2 SER A 71 -15.390 -10.615 0.214 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.979 -10.914 0.889 1.00 0.00 H new ATOM 0 HG SER A 71 -17.049 -10.561 -1.400 1.00 0.00 H new ATOM 1010 N PRO A 72 -15.176 -10.024 3.356 1.00 0.00 N ATOM 1011 CA PRO A 72 -14.125 -10.241 4.340 1.00 0.00 C ATOM 1012 C PRO A 72 -12.764 -10.434 3.665 1.00 0.00 C ATOM 1013 O PRO A 72 -12.673 -11.150 2.667 1.00 0.00 O ATOM 1014 CB PRO A 72 -14.562 -11.473 5.135 1.00 0.00 C ATOM 1015 CG PRO A 72 -16.087 -11.378 5.073 1.00 0.00 C ATOM 1016 CD PRO A 72 -16.333 -10.849 3.659 1.00 0.00 C ATOM 0 HA PRO A 72 -13.994 -9.381 4.997 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.194 -12.397 4.688 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.194 -11.446 6.161 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.560 -12.347 5.231 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -16.482 -10.703 5.832 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -16.432 -11.666 2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.254 -10.269 3.610 1.00 0.00 H new ATOM 1024 N LYS A 73 -11.725 -9.763 4.177 1.00 0.00 N ATOM 1025 CA LYS A 73 -10.354 -9.770 3.658 1.00 0.00 C ATOM 1026 C LYS A 73 -10.226 -8.929 2.380 1.00 0.00 C ATOM 1027 O LYS A 73 -9.277 -8.158 2.243 1.00 0.00 O ATOM 1028 CB LYS A 73 -9.809 -11.191 3.442 1.00 0.00 C ATOM 1029 CG LYS A 73 -9.994 -12.091 4.674 1.00 0.00 C ATOM 1030 CD LYS A 73 -9.541 -13.536 4.414 1.00 0.00 C ATOM 1031 CE LYS A 73 -10.257 -14.208 3.231 1.00 0.00 C ATOM 1032 NZ LYS A 73 -11.718 -14.004 3.265 1.00 0.00 N ATOM 0 H LYS A 73 -11.823 -9.173 5.003 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.736 -9.308 4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.313 -11.643 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.749 -11.135 3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.428 -11.680 5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.044 -12.089 4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.467 -13.542 4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.712 -14.128 5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.860 -13.811 2.297 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.042 -15.277 3.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.171 -14.623 2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.079 -14.233 4.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.935 -13.011 3.043 1.00 0.00 H new ATOM 1046 N LYS A 74 -11.170 -9.070 1.445 1.00 0.00 N ATOM 1047 CA LYS A 74 -11.192 -8.338 0.187 1.00 0.00 C ATOM 1048 C LYS A 74 -11.453 -6.846 0.428 1.00 0.00 C ATOM 1049 O LYS A 74 -12.558 -6.349 0.201 1.00 0.00 O ATOM 1050 CB LYS A 74 -12.245 -8.945 -0.750 1.00 0.00 C ATOM 1051 CG LYS A 74 -11.876 -10.364 -1.191 1.00 0.00 C ATOM 1052 CD LYS A 74 -13.049 -11.097 -1.858 1.00 0.00 C ATOM 1053 CE LYS A 74 -13.667 -10.379 -3.067 1.00 0.00 C ATOM 1054 NZ LYS A 74 -14.680 -9.375 -2.682 1.00 0.00 N ATOM 0 H LYS A 74 -11.956 -9.712 1.549 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.216 -8.424 -0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.211 -8.963 -0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.356 -8.310 -1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.038 -10.318 -1.886 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.541 -10.934 -0.325 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.707 -12.082 -2.176 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.828 -11.256 -1.113 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.876 -9.890 -3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.125 -11.116 -3.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.345 -9.233 -3.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.200 -9.710 -1.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.209 -8.475 -2.459 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.410 -6.124 0.835 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.440 -4.693 1.085 1.00 0.00 C ATOM 1070 C PHE A 75 -9.884 -3.976 -0.138 1.00 0.00 C ATOM 1071 O PHE A 75 -8.780 -4.281 -0.583 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.626 -4.355 2.339 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.426 -4.340 3.627 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.553 -5.509 4.397 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -10.969 -3.130 4.102 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.113 -5.448 5.684 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.543 -3.071 5.382 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.594 -4.225 6.184 1.00 0.00 C ATOM 0 H PHE A 75 -9.493 -6.537 1.004 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.465 -4.365 1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.818 -5.080 2.437 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.163 -3.378 2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.219 -6.456 3.999 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.944 -2.247 3.481 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.174 -6.340 6.289 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.945 -2.139 5.751 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.002 -4.172 7.183 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.662 -3.038 -0.688 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.304 -2.256 -1.862 1.00 0.00 C ATOM 1090 C LYS A 76 -10.583 -0.777 -1.607 1.00 0.00 C ATOM 1091 O LYS A 76 -11.393 -0.428 -0.746 1.00 0.00 O ATOM 1092 CB LYS A 76 -11.046 -2.748 -3.112 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.968 -4.271 -3.262 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.456 -4.671 -4.656 1.00 0.00 C ATOM 1095 CE LYS A 76 -11.556 -6.195 -4.765 1.00 0.00 C ATOM 1096 NZ LYS A 76 -12.001 -6.605 -6.108 1.00 0.00 N ATOM 0 H LYS A 76 -11.581 -2.800 -0.314 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.238 -2.386 -2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.091 -2.442 -3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.620 -2.274 -3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.943 -4.610 -3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.578 -4.754 -2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.429 -4.221 -4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.770 -4.289 -5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.586 -6.642 -4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.254 -6.571 -4.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.060 -7.642 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.937 -6.197 -6.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.321 -6.266 -6.818 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.895 0.096 -2.341 1.00 0.00 N ATOM 1111 CA CYS A 77 -10.030 1.536 -2.152 1.00 0.00 C ATOM 1112 C CYS A 77 -11.036 2.165 -3.092 1.00 0.00 C ATOM 1113 O CYS A 77 -10.833 2.167 -4.306 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.680 2.237 -2.252 1.00 0.00 C ATOM 1115 SG CYS A 77 -7.919 2.385 -0.631 1.00 0.00 S ATOM 0 H CYS A 77 -9.237 -0.171 -3.073 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.418 1.674 -1.143 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.023 1.678 -2.918 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.810 3.227 -2.690 1.00 0.00 H new ATOM 1120 N LEU A 78 -12.112 2.716 -2.531 1.00 0.00 N ATOM 1121 CA LEU A 78 -13.125 3.437 -3.257 1.00 0.00 C ATOM 1122 C LEU A 78 -13.018 4.907 -2.854 1.00 0.00 C ATOM 1123 O LEU A 78 -12.259 5.277 -1.959 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.492 2.856 -2.897 1.00 0.00 C ATOM 1125 CG LEU A 78 -14.928 1.608 -3.687 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.049 1.883 -5.191 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -14.019 0.397 -3.449 1.00 0.00 C ATOM 0 H LEU A 78 -12.297 2.664 -1.529 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.995 3.350 -4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.490 2.607 -1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.243 3.633 -3.041 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.916 1.361 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.359 0.972 -5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.790 2.664 -5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.084 2.208 -5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.380 -0.449 -4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.001 0.641 -3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.029 0.137 -2.390 1.00 0.00 H new ATOM 1139 N SER A 79 -13.785 5.760 -3.526 1.00 0.00 N ATOM 1140 CA SER A 79 -13.777 7.202 -3.301 1.00 0.00 C ATOM 1141 C SER A 79 -14.595 7.611 -2.068 1.00 0.00 C ATOM 1142 O SER A 79 -14.884 8.793 -1.897 1.00 0.00 O ATOM 1143 CB SER A 79 -14.311 7.897 -4.556 1.00 0.00 C ATOM 1144 OG SER A 79 -13.717 7.329 -5.710 1.00 0.00 O ATOM 0 H SER A 79 -14.438 5.465 -4.252 1.00 0.00 H new ATOM 0 HA SER A 79 -12.751 7.512 -3.103 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.395 7.794 -4.606 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.094 8.964 -4.512 1.00 0.00 H new ATOM 0 HG SER A 79 -14.064 7.776 -6.510 1.00 0.00 H new ATOM 1150 N LYS A 80 -14.987 6.640 -1.244 1.00 0.00 N ATOM 1151 CA LYS A 80 -15.780 6.745 -0.039 1.00 0.00 C ATOM 1152 C LYS A 80 -15.724 5.333 0.560 1.00 0.00 C ATOM 1153 O LYS A 80 -16.015 5.192 1.768 1.00 0.00 O ATOM 1154 CB LYS A 80 -17.212 7.195 -0.392 1.00 0.00 C ATOM 1155 CG LYS A 80 -18.228 7.044 0.749 1.00 0.00 C ATOM 1156 CD LYS A 80 -17.840 7.860 1.992 1.00 0.00 C ATOM 1157 CE LYS A 80 -18.718 7.500 3.195 1.00 0.00 C ATOM 1158 NZ LYS A 80 -18.476 6.113 3.634 1.00 0.00 N ATOM 1159 OXT LYS A 80 -15.351 4.424 -0.219 1.00 0.00 O ATOM 0 H LYS A 80 -14.728 5.671 -1.429 1.00 0.00 H new ATOM 0 HA LYS A 80 -15.416 7.487 0.672 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.185 8.240 -0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -17.559 6.618 -1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -19.211 7.362 0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -18.312 5.992 1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.793 7.678 2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.936 8.924 1.775 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.513 8.186 4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.769 7.623 2.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.331 5.544 3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.685 5.711 3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.241 6.105 4.647 1.00 0.00 H new TER 1173 LYS A 80