USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 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 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.024 X(o=-0.024,f=-0.075) USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= 1.16 (180deg=1.01) USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.17) USER MOD Single : A 15 LYS NZ :NH3+ 169:sc= -0.012 (180deg=-0.145) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -154:sc= -0.105 (180deg=-0.656) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -35:sc= 0.0155 USER MOD Single : A 28 HIS : no HE2:sc= -2.35 K(o=-2.4,f=-2.9!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= -0.0194 (180deg=-0.16) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 71:sc= 1.14 USER MOD Single : A 36 GLN : amide:sc= -0.0485 X(o=-0.049,f=-0.049) USER MOD Single : A 43 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 10.079 -4.602 -3.471 1.00 0.00 N ATOM 35 CA VAL A 3 9.003 -3.654 -3.663 1.00 0.00 C ATOM 36 C VAL A 3 7.870 -4.293 -4.459 1.00 0.00 C ATOM 37 O VAL A 3 6.724 -3.888 -4.352 1.00 0.00 O ATOM 38 CB VAL A 3 9.460 -2.320 -4.330 1.00 0.00 C ATOM 39 CG1 VAL A 3 10.446 -1.585 -3.437 1.00 0.00 C ATOM 40 CG2 VAL A 3 10.066 -2.552 -5.711 1.00 0.00 C ATOM 0 HA VAL A 3 8.645 -3.387 -2.668 1.00 0.00 H new ATOM 0 HB VAL A 3 8.571 -1.702 -4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 3 10.753 -0.657 -3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.972 -1.358 -2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.321 -2.212 -3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 3 10.371 -1.597 -6.140 1.00 0.00 H new ATOM 0 HG22 VAL A 3 10.935 -3.204 -5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.326 -3.021 -6.359 1.00 0.00 H new ATOM 50 N THR A 4 8.198 -5.330 -5.219 1.00 0.00 N ATOM 51 CA THR A 4 7.217 -6.070 -5.971 1.00 0.00 C ATOM 52 C THR A 4 6.254 -6.796 -5.011 1.00 0.00 C ATOM 53 O THR A 4 5.064 -6.927 -5.292 1.00 0.00 O ATOM 54 CB THR A 4 7.881 -7.070 -6.980 1.00 0.00 C ATOM 55 OG1 THR A 4 6.882 -7.695 -7.797 1.00 0.00 O ATOM 56 CG2 THR A 4 8.677 -8.151 -6.262 1.00 0.00 C ATOM 0 H THR A 4 9.152 -5.674 -5.325 1.00 0.00 H new ATOM 0 HA THR A 4 6.645 -5.360 -6.569 1.00 0.00 H new ATOM 0 HB THR A 4 8.563 -6.490 -7.602 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.312 -8.315 -8.422 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.121 -8.824 -6.996 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.466 -7.689 -5.669 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.014 -8.716 -5.606 1.00 0.00 H new ATOM 64 N LYS A 5 6.767 -7.219 -3.850 1.00 0.00 N ATOM 65 CA LYS A 5 5.942 -7.878 -2.851 1.00 0.00 C ATOM 66 C LYS A 5 5.134 -6.869 -2.081 1.00 0.00 C ATOM 67 O LYS A 5 4.022 -7.158 -1.642 1.00 0.00 O ATOM 68 CB LYS A 5 6.761 -8.763 -1.913 1.00 0.00 C ATOM 69 CG LYS A 5 7.219 -10.083 -2.526 1.00 0.00 C ATOM 70 CD LYS A 5 6.020 -10.913 -2.966 1.00 0.00 C ATOM 71 CE LYS A 5 6.394 -12.345 -3.316 1.00 0.00 C ATOM 72 NZ LYS A 5 7.362 -12.437 -4.430 1.00 0.00 N ATOM 0 H LYS A 5 7.747 -7.114 -3.587 1.00 0.00 H new ATOM 0 HA LYS A 5 5.256 -8.538 -3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.638 -8.207 -1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.167 -8.977 -1.025 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.867 -9.888 -3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.809 -10.642 -1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.276 -10.920 -2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.555 -10.441 -3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.816 -12.829 -2.435 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.491 -12.895 -3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.577 -13.436 -4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.954 -12.002 -5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.237 -11.938 -4.172 1.00 0.00 H new ATOM 86 N LEU A 6 5.685 -5.682 -1.941 1.00 0.00 N ATOM 87 CA LEU A 6 4.990 -4.583 -1.298 1.00 0.00 C ATOM 88 C LEU A 6 3.825 -4.171 -2.197 1.00 0.00 C ATOM 89 O LEU A 6 2.704 -3.983 -1.741 1.00 0.00 O ATOM 90 CB LEU A 6 5.958 -3.414 -1.094 1.00 0.00 C ATOM 91 CG LEU A 6 5.429 -2.196 -0.330 1.00 0.00 C ATOM 92 CD1 LEU A 6 4.977 -2.583 1.073 1.00 0.00 C ATOM 93 CD2 LEU A 6 6.505 -1.127 -0.260 1.00 0.00 C ATOM 0 H LEU A 6 6.623 -5.450 -2.268 1.00 0.00 H new ATOM 0 HA LEU A 6 4.611 -4.882 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.835 -3.789 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.295 -3.078 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 6 4.564 -1.802 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.606 -1.699 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.182 -3.326 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.819 -3.001 1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.124 -0.263 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.379 -1.524 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.785 -0.826 -1.269 1.00 0.00 H new ATOM 105 N ASN A 7 4.113 -4.092 -3.492 1.00 0.00 N ATOM 106 CA ASN A 7 3.117 -3.790 -4.518 1.00 0.00 C ATOM 107 C ASN A 7 2.045 -4.858 -4.512 1.00 0.00 C ATOM 108 O ASN A 7 0.864 -4.579 -4.625 1.00 0.00 O ATOM 109 CB ASN A 7 3.775 -3.764 -5.905 1.00 0.00 C ATOM 110 CG ASN A 7 2.818 -3.358 -7.019 1.00 0.00 C ATOM 111 OD1 ASN A 7 2.660 -2.178 -7.323 1.00 0.00 O ATOM 112 ND2 ASN A 7 2.193 -4.319 -7.645 1.00 0.00 N ATOM 0 H ASN A 7 5.052 -4.237 -3.864 1.00 0.00 H new ATOM 0 HA ASN A 7 2.680 -2.815 -4.303 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.616 -3.071 -5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.180 -4.751 -6.126 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.554 -4.099 -8.409 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.344 -5.290 -7.370 1.00 0.00 H new ATOM 119 N ASP A 8 2.493 -6.089 -4.358 1.00 0.00 N ATOM 120 CA ASP A 8 1.638 -7.279 -4.315 1.00 0.00 C ATOM 121 C ASP A 8 0.624 -7.176 -3.168 1.00 0.00 C ATOM 122 O ASP A 8 -0.525 -7.611 -3.283 1.00 0.00 O ATOM 123 CB ASP A 8 2.523 -8.516 -4.143 1.00 0.00 C ATOM 124 CG ASP A 8 1.785 -9.811 -4.268 1.00 0.00 C ATOM 125 OD1 ASP A 8 1.664 -10.317 -5.403 1.00 0.00 O ATOM 126 OD2 ASP A 8 1.338 -10.355 -3.245 1.00 0.00 O ATOM 0 H ASP A 8 3.485 -6.304 -4.256 1.00 0.00 H new ATOM 0 HA ASP A 8 1.077 -7.358 -5.246 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.318 -8.489 -4.888 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.002 -8.475 -3.165 1.00 0.00 H new ATOM 131 N ARG A 9 1.052 -6.559 -2.078 1.00 0.00 N ATOM 132 CA ARG A 9 0.190 -6.320 -0.927 1.00 0.00 C ATOM 133 C ARG A 9 -0.889 -5.316 -1.283 1.00 0.00 C ATOM 134 O ARG A 9 -2.047 -5.471 -0.901 1.00 0.00 O ATOM 135 CB ARG A 9 0.996 -5.809 0.262 1.00 0.00 C ATOM 136 CG ARG A 9 1.950 -6.824 0.846 1.00 0.00 C ATOM 137 CD ARG A 9 2.704 -6.263 2.028 1.00 0.00 C ATOM 138 NE ARG A 9 1.815 -5.825 3.117 1.00 0.00 N ATOM 139 CZ ARG A 9 2.232 -5.514 4.361 1.00 0.00 C ATOM 140 NH1 ARG A 9 3.510 -5.713 4.707 1.00 0.00 N ATOM 141 NH2 ARG A 9 1.368 -5.030 5.262 1.00 0.00 N ATOM 0 H ARG A 9 2.004 -6.210 -1.964 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.274 -7.267 -0.649 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.563 -4.931 -0.048 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.307 -5.485 1.041 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.395 -7.710 1.155 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.657 -7.142 0.080 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.390 -7.020 2.408 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.311 -5.419 1.699 1.00 0.00 H new ATOM 0 HE ARG A 9 0.817 -5.752 2.917 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.167 -6.100 4.030 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.826 -5.478 5.648 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.389 -4.895 5.009 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.689 -4.796 6.202 1.00 0.00 H new ATOM 155 N ILE A 10 -0.499 -4.309 -2.050 1.00 0.00 N ATOM 156 CA ILE A 10 -1.413 -3.278 -2.511 1.00 0.00 C ATOM 157 C ILE A 10 -2.467 -3.922 -3.399 1.00 0.00 C ATOM 158 O ILE A 10 -3.648 -3.636 -3.277 1.00 0.00 O ATOM 159 CB ILE A 10 -0.676 -2.195 -3.335 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.507 -1.645 -2.550 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.630 -1.060 -3.695 1.00 0.00 C ATOM 162 CD1 ILE A 10 1.321 -0.638 -3.315 1.00 0.00 C ATOM 0 H ILE A 10 0.461 -4.185 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.863 -2.805 -1.638 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.309 -2.653 -4.253 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.141 -1.183 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.152 -2.472 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.097 -0.306 -4.274 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.457 -1.454 -4.286 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.019 -0.608 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.146 -0.290 -2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.717 -1.101 -4.219 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.690 0.208 -3.588 1.00 0.00 H new ATOM 174 N GLU A 11 -2.013 -4.823 -4.259 1.00 0.00 N ATOM 175 CA GLU A 11 -2.869 -5.562 -5.180 1.00 0.00 C ATOM 176 C GLU A 11 -3.981 -6.296 -4.428 1.00 0.00 C ATOM 177 O GLU A 11 -5.158 -6.199 -4.781 1.00 0.00 O ATOM 178 CB GLU A 11 -2.037 -6.570 -5.957 1.00 0.00 C ATOM 179 CG GLU A 11 -0.924 -5.958 -6.785 1.00 0.00 C ATOM 180 CD GLU A 11 -1.430 -5.097 -7.900 1.00 0.00 C ATOM 181 OE1 GLU A 11 -1.726 -5.645 -8.977 1.00 0.00 O ATOM 182 OE2 GLU A 11 -1.522 -3.867 -7.732 1.00 0.00 O ATOM 0 H GLU A 11 -1.025 -5.066 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.326 -4.849 -5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.602 -7.282 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.696 -7.135 -6.617 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.282 -5.363 -6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.307 -6.755 -7.200 1.00 0.00 H new ATOM 189 N ALA A 12 -3.604 -6.982 -3.365 1.00 0.00 N ATOM 190 CA ALA A 12 -4.548 -7.743 -2.560 1.00 0.00 C ATOM 191 C ALA A 12 -5.467 -6.812 -1.776 1.00 0.00 C ATOM 192 O ALA A 12 -6.628 -7.151 -1.477 1.00 0.00 O ATOM 193 CB ALA A 12 -3.807 -8.672 -1.613 1.00 0.00 C ATOM 0 H ALA A 12 -2.640 -7.029 -3.034 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.162 -8.343 -3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.526 -9.234 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.193 -9.364 -2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.169 -8.085 -0.952 1.00 0.00 H new ATOM 199 N LYS A 13 -4.964 -5.632 -1.476 1.00 0.00 N ATOM 200 CA LYS A 13 -5.708 -4.662 -0.707 1.00 0.00 C ATOM 201 C LYS A 13 -6.743 -4.001 -1.606 1.00 0.00 C ATOM 202 O LYS A 13 -7.834 -3.656 -1.162 1.00 0.00 O ATOM 203 CB LYS A 13 -4.755 -3.646 -0.050 1.00 0.00 C ATOM 204 CG LYS A 13 -5.399 -2.713 0.974 1.00 0.00 C ATOM 205 CD LYS A 13 -6.178 -3.503 2.027 1.00 0.00 C ATOM 206 CE LYS A 13 -6.556 -2.642 3.219 1.00 0.00 C ATOM 207 NZ LYS A 13 -5.376 -2.311 4.053 1.00 0.00 N ATOM 0 H LYS A 13 -4.034 -5.322 -1.757 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.239 -5.156 0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.948 -4.193 0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.301 -3.040 -0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.628 -2.115 1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.069 -2.019 0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.081 -3.915 1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.577 -4.347 2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.024 -1.722 2.869 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.295 -3.165 3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.688 -1.825 4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.875 -3.186 4.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.736 -1.690 3.518 1.00 0.00 H new ATOM 221 N LYS A 14 -6.389 -3.852 -2.877 1.00 0.00 N ATOM 222 CA LYS A 14 -7.305 -3.368 -3.897 1.00 0.00 C ATOM 223 C LYS A 14 -8.500 -4.286 -3.971 1.00 0.00 C ATOM 224 O LYS A 14 -9.620 -3.831 -3.909 1.00 0.00 O ATOM 225 CB LYS A 14 -6.632 -3.332 -5.267 1.00 0.00 C ATOM 226 CG LYS A 14 -5.497 -2.347 -5.396 1.00 0.00 C ATOM 227 CD LYS A 14 -4.804 -2.520 -6.718 1.00 0.00 C ATOM 228 CE LYS A 14 -3.699 -1.504 -6.914 1.00 0.00 C ATOM 229 NZ LYS A 14 -3.001 -1.701 -8.197 1.00 0.00 N ATOM 0 H LYS A 14 -5.455 -4.065 -3.228 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.612 -2.357 -3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.255 -4.329 -5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.385 -3.095 -6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.878 -1.329 -5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.786 -2.493 -4.583 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.388 -3.525 -6.781 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.531 -2.425 -7.524 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.118 -0.498 -6.878 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.984 -1.581 -6.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.188 -1.055 -8.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.668 -2.684 -8.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.654 -1.503 -8.982 1.00 0.00 H new ATOM 243 N LYS A 15 -8.231 -5.591 -4.055 1.00 0.00 N ATOM 244 CA LYS A 15 -9.281 -6.615 -4.148 1.00 0.00 C ATOM 245 C LYS A 15 -10.206 -6.541 -2.938 1.00 0.00 C ATOM 246 O LYS A 15 -11.431 -6.673 -3.056 1.00 0.00 O ATOM 247 CB LYS A 15 -8.670 -8.016 -4.215 1.00 0.00 C ATOM 248 CG LYS A 15 -7.671 -8.226 -5.342 1.00 0.00 C ATOM 249 CD LYS A 15 -7.122 -9.651 -5.360 1.00 0.00 C ATOM 250 CE LYS A 15 -8.190 -10.689 -5.717 1.00 0.00 C ATOM 251 NZ LYS A 15 -8.710 -10.505 -7.090 1.00 0.00 N ATOM 0 H LYS A 15 -7.284 -5.969 -4.061 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.849 -6.424 -5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.175 -8.226 -3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.475 -8.743 -4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.150 -8.010 -6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.847 -7.521 -5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.306 -9.713 -6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.703 -9.888 -4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.768 -11.690 -5.621 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.013 -10.620 -5.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.286 -11.329 -7.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.296 -9.646 -7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.914 -10.410 -7.753 1.00 0.00 H new ATOM 265 N GLU A 16 -9.615 -6.315 -1.781 1.00 0.00 N ATOM 266 CA GLU A 16 -10.355 -6.201 -0.545 1.00 0.00 C ATOM 267 C GLU A 16 -11.238 -4.959 -0.601 1.00 0.00 C ATOM 268 O GLU A 16 -12.413 -4.994 -0.234 1.00 0.00 O ATOM 269 CB GLU A 16 -9.387 -6.135 0.642 1.00 0.00 C ATOM 270 CG GLU A 16 -10.062 -6.145 1.998 1.00 0.00 C ATOM 271 CD GLU A 16 -9.081 -6.213 3.137 1.00 0.00 C ATOM 272 OE1 GLU A 16 -8.485 -7.286 3.356 1.00 0.00 O ATOM 273 OE2 GLU A 16 -8.880 -5.206 3.833 1.00 0.00 O ATOM 0 H GLU A 16 -8.607 -6.205 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.990 -7.077 -0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.701 -6.980 0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.785 -5.230 0.555 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.671 -5.247 2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.739 -6.998 2.056 1.00 0.00 H new ATOM 280 N LEU A 17 -10.671 -3.885 -1.117 1.00 0.00 N ATOM 281 CA LEU A 17 -11.365 -2.626 -1.259 1.00 0.00 C ATOM 282 C LEU A 17 -12.538 -2.757 -2.234 1.00 0.00 C ATOM 283 O LEU A 17 -13.610 -2.250 -1.952 1.00 0.00 O ATOM 284 CB LEU A 17 -10.396 -1.512 -1.700 1.00 0.00 C ATOM 285 CG LEU A 17 -10.990 -0.102 -1.856 1.00 0.00 C ATOM 286 CD1 LEU A 17 -11.585 0.388 -0.545 1.00 0.00 C ATOM 287 CD2 LEU A 17 -9.929 0.868 -2.342 1.00 0.00 C ATOM 0 H LEU A 17 -9.708 -3.865 -1.451 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.770 -2.350 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.584 -1.461 -0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.954 -1.803 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.789 -0.153 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.998 1.387 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.377 -0.291 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.807 0.420 0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.365 1.861 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.112 0.905 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.547 0.535 -3.307 1.00 0.00 H new ATOM 299 N ILE A 18 -12.334 -3.481 -3.359 1.00 0.00 N ATOM 300 CA ILE A 18 -13.399 -3.693 -4.383 1.00 0.00 C ATOM 301 C ILE A 18 -14.629 -4.261 -3.689 1.00 0.00 C ATOM 302 O ILE A 18 -15.735 -3.729 -3.785 1.00 0.00 O ATOM 303 CB ILE A 18 -13.001 -4.754 -5.472 1.00 0.00 C ATOM 304 CG1 ILE A 18 -11.598 -4.527 -6.063 1.00 0.00 C ATOM 305 CG2 ILE A 18 -14.045 -4.799 -6.591 1.00 0.00 C ATOM 306 CD1 ILE A 18 -11.379 -3.209 -6.737 1.00 0.00 C ATOM 0 H ILE A 18 -11.446 -3.929 -3.586 1.00 0.00 H new ATOM 0 HA ILE A 18 -13.568 -2.728 -4.861 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.972 -5.716 -4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.866 -4.630 -5.262 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.395 -5.320 -6.783 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.750 -5.540 -7.334 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.015 -5.070 -6.173 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.115 -3.819 -7.063 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.358 -3.159 -7.115 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -12.078 -3.104 -7.566 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.541 -2.403 -6.021 1.00 0.00 H new ATOM 318 N TYR A 19 -14.374 -5.318 -2.952 1.00 0.00 N ATOM 319 CA TYR A 19 -15.356 -6.082 -2.210 1.00 0.00 C ATOM 320 C TYR A 19 -16.135 -5.164 -1.242 1.00 0.00 C ATOM 321 O TYR A 19 -17.367 -5.226 -1.138 1.00 0.00 O ATOM 322 CB TYR A 19 -14.566 -7.152 -1.440 1.00 0.00 C ATOM 323 CG TYR A 19 -15.356 -8.229 -0.747 1.00 0.00 C ATOM 324 CD1 TYR A 19 -15.748 -9.361 -1.438 1.00 0.00 C ATOM 325 CD2 TYR A 19 -15.668 -8.141 0.605 1.00 0.00 C ATOM 326 CE1 TYR A 19 -16.434 -10.371 -0.813 1.00 0.00 C ATOM 327 CE2 TYR A 19 -16.348 -9.154 1.241 1.00 0.00 C ATOM 328 CZ TYR A 19 -16.730 -10.268 0.524 1.00 0.00 C ATOM 329 OH TYR A 19 -17.398 -11.292 1.154 1.00 0.00 O ATOM 0 H TYR A 19 -13.429 -5.688 -2.847 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.094 -6.538 -2.870 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -13.881 -7.633 -2.138 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.956 -6.647 -0.691 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.510 -9.451 -2.488 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -15.372 -7.265 1.164 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.740 -11.244 -1.370 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -16.581 -9.077 2.293 1.00 0.00 H new ATOM 0 HH TYR A 19 -17.530 -11.065 2.098 1.00 0.00 H new ATOM 339 N LEU A 20 -15.408 -4.302 -0.577 1.00 0.00 N ATOM 340 CA LEU A 20 -15.971 -3.387 0.394 1.00 0.00 C ATOM 341 C LEU A 20 -16.742 -2.230 -0.257 1.00 0.00 C ATOM 342 O LEU A 20 -17.770 -1.805 0.265 1.00 0.00 O ATOM 343 CB LEU A 20 -14.873 -2.887 1.323 1.00 0.00 C ATOM 344 CG LEU A 20 -14.160 -3.992 2.114 1.00 0.00 C ATOM 345 CD1 LEU A 20 -12.975 -3.438 2.859 1.00 0.00 C ATOM 346 CD2 LEU A 20 -15.122 -4.670 3.081 1.00 0.00 C ATOM 0 H LEU A 20 -14.399 -4.212 -0.693 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.708 -3.933 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.134 -2.345 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.305 -2.175 2.026 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.802 -4.736 1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.486 -4.240 3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.270 -3.004 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.310 -2.669 3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.595 -5.450 3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.513 -3.933 3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.947 -5.113 2.523 1.00 0.00 H new ATOM 358 N VAL A 21 -16.264 -1.739 -1.394 1.00 0.00 N ATOM 359 CA VAL A 21 -16.943 -0.653 -2.114 1.00 0.00 C ATOM 360 C VAL A 21 -18.309 -1.120 -2.608 1.00 0.00 C ATOM 361 O VAL A 21 -19.307 -0.391 -2.501 1.00 0.00 O ATOM 362 CB VAL A 21 -16.101 -0.103 -3.316 1.00 0.00 C ATOM 363 CG1 VAL A 21 -16.865 0.976 -4.081 1.00 0.00 C ATOM 364 CG2 VAL A 21 -14.780 0.465 -2.836 1.00 0.00 C ATOM 0 H VAL A 21 -15.410 -2.071 -1.842 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.066 0.166 -1.405 1.00 0.00 H new ATOM 0 HB VAL A 21 -15.910 -0.942 -3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -16.254 1.337 -4.908 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -17.793 0.558 -4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -17.094 1.804 -3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -14.214 0.840 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -14.967 1.280 -2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.208 -0.317 -2.336 1.00 0.00 H new ATOM 374 N GLU A 22 -18.364 -2.343 -3.099 1.00 0.00 N ATOM 375 CA GLU A 22 -19.611 -2.913 -3.587 1.00 0.00 C ATOM 376 C GLU A 22 -20.619 -3.066 -2.450 1.00 0.00 C ATOM 377 O GLU A 22 -21.827 -2.919 -2.644 1.00 0.00 O ATOM 378 CB GLU A 22 -19.368 -4.271 -4.235 1.00 0.00 C ATOM 379 CG GLU A 22 -18.405 -4.251 -5.408 1.00 0.00 C ATOM 380 CD GLU A 22 -18.827 -3.308 -6.497 1.00 0.00 C ATOM 381 OE1 GLU A 22 -19.837 -3.576 -7.183 1.00 0.00 O ATOM 382 OE2 GLU A 22 -18.140 -2.304 -6.729 1.00 0.00 O ATOM 0 H GLU A 22 -17.559 -2.965 -3.172 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.017 -2.230 -4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.984 -4.956 -3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.323 -4.673 -4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.414 -3.967 -5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.320 -5.257 -5.819 1.00 0.00 H new ATOM 389 N LYS A 23 -20.109 -3.341 -1.268 1.00 0.00 N ATOM 390 CA LYS A 23 -20.938 -3.535 -0.096 1.00 0.00 C ATOM 391 C LYS A 23 -21.369 -2.244 0.575 1.00 0.00 C ATOM 392 O LYS A 23 -22.524 -2.103 0.970 1.00 0.00 O ATOM 393 CB LYS A 23 -20.234 -4.397 0.939 1.00 0.00 C ATOM 394 CG LYS A 23 -20.186 -5.859 0.614 1.00 0.00 C ATOM 395 CD LYS A 23 -19.472 -6.619 1.708 1.00 0.00 C ATOM 396 CE LYS A 23 -19.702 -8.101 1.574 1.00 0.00 C ATOM 397 NZ LYS A 23 -21.127 -8.444 1.755 1.00 0.00 N ATOM 0 H LYS A 23 -19.109 -3.436 -1.092 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.833 -4.032 -0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.214 -4.033 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -20.735 -4.269 1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -21.198 -6.245 0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.674 -6.010 -0.336 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.404 -6.408 1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.825 -6.279 2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -19.368 -8.435 0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -19.102 -8.632 2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.208 -9.424 2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -21.553 -7.801 2.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.625 -8.349 0.847 1.00 0.00 H new ATOM 411 N TYR A 24 -20.458 -1.324 0.742 1.00 0.00 N ATOM 412 CA TYR A 24 -20.743 -0.158 1.554 1.00 0.00 C ATOM 413 C TYR A 24 -20.891 1.136 0.769 1.00 0.00 C ATOM 414 O TYR A 24 -21.482 2.087 1.265 1.00 0.00 O ATOM 415 CB TYR A 24 -19.686 -0.011 2.646 1.00 0.00 C ATOM 416 CG TYR A 24 -19.592 -1.210 3.565 1.00 0.00 C ATOM 417 CD1 TYR A 24 -20.507 -1.400 4.588 1.00 0.00 C ATOM 418 CD2 TYR A 24 -18.600 -2.164 3.389 1.00 0.00 C ATOM 419 CE1 TYR A 24 -20.433 -2.502 5.410 1.00 0.00 C ATOM 420 CE2 TYR A 24 -18.523 -3.272 4.203 1.00 0.00 C ATOM 421 CZ TYR A 24 -19.439 -3.437 5.211 1.00 0.00 C ATOM 422 OH TYR A 24 -19.367 -4.547 6.025 1.00 0.00 O ATOM 0 H TYR A 24 -19.523 -1.351 0.336 1.00 0.00 H new ATOM 0 HA TYR A 24 -21.722 -0.334 2.001 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -18.715 0.156 2.180 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -19.911 0.875 3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -21.290 -0.673 4.743 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -17.875 -2.035 2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -21.150 -2.634 6.207 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -17.746 -4.007 4.049 1.00 0.00 H new ATOM 0 HH TYR A 24 -18.610 -5.106 5.750 1.00 0.00 H new ATOM 432 N GLY A 25 -20.370 1.184 -0.428 1.00 0.00 N ATOM 433 CA GLY A 25 -20.465 2.402 -1.206 1.00 0.00 C ATOM 434 C GLY A 25 -19.291 3.324 -0.958 1.00 0.00 C ATOM 435 O GLY A 25 -18.468 3.073 -0.081 1.00 0.00 O ATOM 0 H GLY A 25 -19.883 0.412 -0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.513 2.153 -2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.392 2.920 -0.958 1.00 0.00 H new ATOM 439 N PHE A 26 -19.228 4.396 -1.707 1.00 0.00 N ATOM 440 CA PHE A 26 -18.107 5.330 -1.633 1.00 0.00 C ATOM 441 C PHE A 26 -18.299 6.354 -0.499 1.00 0.00 C ATOM 442 O PHE A 26 -17.343 6.966 -0.026 1.00 0.00 O ATOM 443 CB PHE A 26 -17.933 6.059 -2.989 1.00 0.00 C ATOM 444 CG PHE A 26 -19.051 7.023 -3.348 1.00 0.00 C ATOM 445 CD1 PHE A 26 -20.276 6.565 -3.812 1.00 0.00 C ATOM 446 CD2 PHE A 26 -18.869 8.391 -3.209 1.00 0.00 C ATOM 447 CE1 PHE A 26 -21.291 7.450 -4.128 1.00 0.00 C ATOM 448 CE2 PHE A 26 -19.878 9.278 -3.523 1.00 0.00 C ATOM 449 CZ PHE A 26 -21.091 8.805 -3.983 1.00 0.00 C ATOM 0 H PHE A 26 -19.944 4.655 -2.386 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.206 4.757 -1.414 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.992 6.608 -2.971 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.851 5.312 -3.778 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -20.439 5.504 -3.928 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -17.923 8.768 -2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -22.239 7.079 -4.488 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -19.719 10.340 -3.409 1.00 0.00 H new ATOM 0 HZ PHE A 26 -21.883 9.497 -4.229 1.00 0.00 H new ATOM 459 N THR A 27 -19.527 6.524 -0.066 1.00 0.00 N ATOM 460 CA THR A 27 -19.850 7.519 0.937 1.00 0.00 C ATOM 461 C THR A 27 -19.618 6.969 2.371 1.00 0.00 C ATOM 462 O THR A 27 -19.692 7.700 3.361 1.00 0.00 O ATOM 463 CB THR A 27 -21.319 7.962 0.732 1.00 0.00 C ATOM 464 OG1 THR A 27 -21.525 8.167 -0.678 1.00 0.00 O ATOM 465 CG2 THR A 27 -21.619 9.270 1.460 1.00 0.00 C ATOM 0 H THR A 27 -20.326 5.982 -0.394 1.00 0.00 H new ATOM 0 HA THR A 27 -19.192 8.380 0.824 1.00 0.00 H new ATOM 0 HB THR A 27 -21.978 7.191 1.132 1.00 0.00 H new ATOM 0 HG1 THR A 27 -20.705 8.524 -1.080 1.00 0.00 H new ATOM 0 HG21 THR A 27 -22.659 9.549 1.293 1.00 0.00 H new ATOM 0 HG22 THR A 27 -21.445 9.140 2.528 1.00 0.00 H new ATOM 0 HG23 THR A 27 -20.967 10.056 1.079 1.00 0.00 H new ATOM 473 N HIS A 28 -19.302 5.695 2.461 1.00 0.00 N ATOM 474 CA HIS A 28 -19.072 5.048 3.739 1.00 0.00 C ATOM 475 C HIS A 28 -17.672 5.428 4.243 1.00 0.00 C ATOM 476 O HIS A 28 -16.676 5.221 3.538 1.00 0.00 O ATOM 477 CB HIS A 28 -19.232 3.533 3.559 1.00 0.00 C ATOM 478 CG HIS A 28 -19.241 2.715 4.822 1.00 0.00 C ATOM 479 ND1 HIS A 28 -20.357 2.532 5.607 1.00 0.00 N ATOM 480 CD2 HIS A 28 -18.263 1.973 5.391 1.00 0.00 C ATOM 481 CE1 HIS A 28 -20.040 1.702 6.598 1.00 0.00 C ATOM 482 NE2 HIS A 28 -18.772 1.326 6.517 1.00 0.00 N ATOM 0 H HIS A 28 -19.197 5.079 1.655 1.00 0.00 H new ATOM 0 HA HIS A 28 -19.795 5.376 4.486 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.163 3.347 3.023 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -18.422 3.175 2.924 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -21.271 2.959 5.455 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -17.248 1.894 5.030 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -20.726 1.378 7.367 1.00 0.00 H new ATOM 490 N HIS A 29 -17.607 5.971 5.460 1.00 0.00 N ATOM 491 CA HIS A 29 -16.354 6.512 6.041 1.00 0.00 C ATOM 492 C HIS A 29 -15.232 5.489 6.084 1.00 0.00 C ATOM 493 O HIS A 29 -14.077 5.809 5.758 1.00 0.00 O ATOM 494 CB HIS A 29 -16.573 7.091 7.449 1.00 0.00 C ATOM 495 CG HIS A 29 -17.494 8.268 7.508 1.00 0.00 C ATOM 496 ND1 HIS A 29 -18.718 8.260 8.141 1.00 0.00 N ATOM 497 CD2 HIS A 29 -17.329 9.519 7.036 1.00 0.00 C ATOM 498 CE1 HIS A 29 -19.248 9.478 8.035 1.00 0.00 C ATOM 499 NE2 HIS A 29 -18.443 10.289 7.368 1.00 0.00 N ATOM 0 H HIS A 29 -18.414 6.053 6.078 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.052 7.316 5.370 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -16.969 6.305 8.092 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -15.607 7.383 7.861 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -16.468 9.871 6.486 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -20.207 9.765 8.440 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -18.604 11.271 7.144 1.00 0.00 H new ATOM 507 N LYS A 30 -15.560 4.266 6.470 1.00 0.00 N ATOM 508 CA LYS A 30 -14.569 3.206 6.535 1.00 0.00 C ATOM 509 C LYS A 30 -13.950 2.952 5.170 1.00 0.00 C ATOM 510 O LYS A 30 -12.744 2.802 5.059 1.00 0.00 O ATOM 511 CB LYS A 30 -15.147 1.922 7.112 1.00 0.00 C ATOM 512 CG LYS A 30 -15.659 2.086 8.525 1.00 0.00 C ATOM 513 CD LYS A 30 -16.264 0.809 9.062 1.00 0.00 C ATOM 514 CE LYS A 30 -15.232 -0.298 9.282 1.00 0.00 C ATOM 515 NZ LYS A 30 -14.215 0.070 10.295 1.00 0.00 N ATOM 0 H LYS A 30 -16.502 3.984 6.742 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.783 3.543 7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.961 1.578 6.474 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.381 1.147 7.097 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.840 2.399 9.173 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.406 2.879 8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.767 1.021 10.005 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.026 0.455 8.367 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.742 -1.208 9.597 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.736 -0.521 8.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.654 -0.770 10.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.587 0.803 9.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.689 0.436 11.146 1.00 0.00 H new ATOM 529 N VAL A 31 -14.778 2.990 4.124 1.00 0.00 N ATOM 530 CA VAL A 31 -14.316 2.765 2.749 1.00 0.00 C ATOM 531 C VAL A 31 -13.350 3.868 2.334 1.00 0.00 C ATOM 532 O VAL A 31 -12.317 3.607 1.686 1.00 0.00 O ATOM 533 CB VAL A 31 -15.500 2.663 1.741 1.00 0.00 C ATOM 534 CG1 VAL A 31 -15.003 2.531 0.306 1.00 0.00 C ATOM 535 CG2 VAL A 31 -16.376 1.475 2.082 1.00 0.00 C ATOM 0 H VAL A 31 -15.778 3.175 4.202 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.796 1.807 2.728 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.080 3.583 1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.856 2.462 -0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.404 3.404 0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.393 1.632 0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.200 1.414 1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.785 0.561 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.775 1.594 3.089 1.00 0.00 H new ATOM 545 N ILE A 32 -13.654 5.085 2.748 1.00 0.00 N ATOM 546 CA ILE A 32 -12.791 6.226 2.504 1.00 0.00 C ATOM 547 C ILE A 32 -11.434 5.983 3.176 1.00 0.00 C ATOM 548 O ILE A 32 -10.381 6.163 2.557 1.00 0.00 O ATOM 549 CB ILE A 32 -13.420 7.545 3.046 1.00 0.00 C ATOM 550 CG1 ILE A 32 -14.785 7.797 2.377 1.00 0.00 C ATOM 551 CG2 ILE A 32 -12.477 8.730 2.811 1.00 0.00 C ATOM 552 CD1 ILE A 32 -15.519 9.026 2.885 1.00 0.00 C ATOM 0 H ILE A 32 -14.506 5.310 3.262 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.663 6.337 1.427 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.573 7.441 4.120 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.635 7.897 1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.417 6.923 2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.935 9.641 3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.533 8.552 3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.292 8.841 1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.469 9.126 2.359 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.705 8.923 3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.911 9.913 2.707 1.00 0.00 H new ATOM 564 N SER A 33 -11.471 5.505 4.415 1.00 0.00 N ATOM 565 CA SER A 33 -10.267 5.218 5.168 1.00 0.00 C ATOM 566 C SER A 33 -9.442 4.099 4.491 1.00 0.00 C ATOM 567 O SER A 33 -8.202 4.173 4.447 1.00 0.00 O ATOM 568 CB SER A 33 -10.619 4.851 6.620 1.00 0.00 C ATOM 569 OG SER A 33 -9.450 4.711 7.424 1.00 0.00 O ATOM 0 H SER A 33 -12.335 5.308 4.919 1.00 0.00 H new ATOM 0 HA SER A 33 -9.649 6.116 5.184 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.263 5.621 7.045 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.184 3.919 6.634 1.00 0.00 H new ATOM 0 HG SER A 33 -9.709 4.479 8.340 1.00 0.00 H new ATOM 575 N PHE A 34 -10.125 3.095 3.930 1.00 0.00 N ATOM 576 CA PHE A 34 -9.444 1.992 3.234 1.00 0.00 C ATOM 577 C PHE A 34 -8.778 2.512 1.967 1.00 0.00 C ATOM 578 O PHE A 34 -7.686 2.077 1.590 1.00 0.00 O ATOM 579 CB PHE A 34 -10.416 0.865 2.856 1.00 0.00 C ATOM 580 CG PHE A 34 -11.221 0.302 3.989 1.00 0.00 C ATOM 581 CD1 PHE A 34 -10.681 0.166 5.250 1.00 0.00 C ATOM 582 CD2 PHE A 34 -12.525 -0.098 3.781 1.00 0.00 C ATOM 583 CE1 PHE A 34 -11.423 -0.354 6.281 1.00 0.00 C ATOM 584 CE2 PHE A 34 -13.279 -0.621 4.813 1.00 0.00 C ATOM 585 CZ PHE A 34 -12.724 -0.749 6.067 1.00 0.00 C ATOM 0 H PHE A 34 -11.142 3.021 3.943 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.699 1.588 3.919 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -11.102 1.240 2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.847 0.055 2.400 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.661 0.473 5.429 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.962 -0.001 2.798 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.985 -0.454 7.263 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.299 -0.928 4.638 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.307 -1.158 6.879 1.00 0.00 H new ATOM 595 N SER A 35 -9.435 3.460 1.331 1.00 0.00 N ATOM 596 CA SER A 35 -8.914 4.078 0.136 1.00 0.00 C ATOM 597 C SER A 35 -7.653 4.893 0.470 1.00 0.00 C ATOM 598 O SER A 35 -6.703 4.951 -0.322 1.00 0.00 O ATOM 599 CB SER A 35 -9.992 4.945 -0.514 1.00 0.00 C ATOM 600 OG SER A 35 -11.165 4.173 -0.783 1.00 0.00 O ATOM 0 H SER A 35 -10.341 3.821 1.629 1.00 0.00 H new ATOM 0 HA SER A 35 -8.630 3.307 -0.580 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.241 5.778 0.143 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.612 5.373 -1.441 1.00 0.00 H new ATOM 0 HG SER A 35 -11.617 3.960 0.060 1.00 0.00 H new ATOM 606 N GLN A 36 -7.635 5.475 1.671 1.00 0.00 N ATOM 607 CA GLN A 36 -6.474 6.217 2.144 1.00 0.00 C ATOM 608 C GLN A 36 -5.320 5.252 2.356 1.00 0.00 C ATOM 609 O GLN A 36 -4.179 5.560 2.035 1.00 0.00 O ATOM 610 CB GLN A 36 -6.772 6.957 3.454 1.00 0.00 C ATOM 611 CG GLN A 36 -7.939 7.933 3.393 1.00 0.00 C ATOM 612 CD GLN A 36 -7.772 9.002 2.341 1.00 0.00 C ATOM 613 OE1 GLN A 36 -7.208 10.062 2.600 1.00 0.00 O ATOM 614 NE2 GLN A 36 -8.295 8.762 1.176 1.00 0.00 N ATOM 0 H GLN A 36 -8.413 5.444 2.330 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.214 6.962 1.392 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.975 6.220 4.231 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.878 7.502 3.757 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.856 7.379 3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.057 8.408 4.367 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.756 7.870 0.998 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.245 9.466 0.440 1.00 0.00 H new ATOM 623 N GLU A 37 -5.640 4.063 2.878 1.00 0.00 N ATOM 624 CA GLU A 37 -4.646 3.019 3.101 1.00 0.00 C ATOM 625 C GLU A 37 -3.992 2.636 1.793 1.00 0.00 C ATOM 626 O GLU A 37 -2.777 2.582 1.696 1.00 0.00 O ATOM 627 CB GLU A 37 -5.277 1.769 3.709 1.00 0.00 C ATOM 628 CG GLU A 37 -5.905 1.968 5.062 1.00 0.00 C ATOM 629 CD GLU A 37 -6.433 0.675 5.634 1.00 0.00 C ATOM 630 OE1 GLU A 37 -5.640 -0.292 5.769 1.00 0.00 O ATOM 631 OE2 GLU A 37 -7.621 0.590 5.937 1.00 0.00 O ATOM 0 H GLU A 37 -6.587 3.803 3.154 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.905 3.418 3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.037 1.394 3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.512 0.997 3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.169 2.393 5.745 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.719 2.688 4.982 1.00 0.00 H new ATOM 638 N LEU A 38 -4.821 2.409 0.790 1.00 0.00 N ATOM 639 CA LEU A 38 -4.375 1.978 -0.524 1.00 0.00 C ATOM 640 C LEU A 38 -3.394 3.014 -1.101 1.00 0.00 C ATOM 641 O LEU A 38 -2.303 2.662 -1.566 1.00 0.00 O ATOM 642 CB LEU A 38 -5.620 1.776 -1.436 1.00 0.00 C ATOM 643 CG LEU A 38 -5.477 0.886 -2.695 1.00 0.00 C ATOM 644 CD1 LEU A 38 -4.569 1.495 -3.757 1.00 0.00 C ATOM 645 CD2 LEU A 38 -4.984 -0.492 -2.299 1.00 0.00 C ATOM 0 H LEU A 38 -5.832 2.519 0.865 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.844 1.028 -0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.416 1.356 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.955 2.761 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.466 0.808 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.510 0.824 -4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.975 2.455 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.572 1.643 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.886 -1.113 -3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.014 -0.405 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.697 -0.951 -1.614 1.00 0.00 H new ATOM 657 N ASP A 39 -3.769 4.281 -1.004 1.00 0.00 N ATOM 658 CA ASP A 39 -2.932 5.386 -1.487 1.00 0.00 C ATOM 659 C ASP A 39 -1.598 5.447 -0.749 1.00 0.00 C ATOM 660 O ASP A 39 -0.540 5.602 -1.363 1.00 0.00 O ATOM 661 CB ASP A 39 -3.658 6.724 -1.334 1.00 0.00 C ATOM 662 CG ASP A 39 -2.780 7.908 -1.697 1.00 0.00 C ATOM 663 OD1 ASP A 39 -2.681 8.249 -2.887 1.00 0.00 O ATOM 664 OD2 ASP A 39 -2.191 8.532 -0.790 1.00 0.00 O ATOM 0 H ASP A 39 -4.654 4.578 -0.593 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.735 5.199 -2.543 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.545 6.726 -1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.000 6.832 -0.305 1.00 0.00 H new ATOM 669 N ARG A 40 -1.649 5.299 0.555 1.00 0.00 N ATOM 670 CA ARG A 40 -0.461 5.378 1.389 1.00 0.00 C ATOM 671 C ARG A 40 0.489 4.214 1.154 1.00 0.00 C ATOM 672 O ARG A 40 1.710 4.406 1.139 1.00 0.00 O ATOM 673 CB ARG A 40 -0.834 5.529 2.857 1.00 0.00 C ATOM 674 CG ARG A 40 -1.556 6.831 3.125 1.00 0.00 C ATOM 675 CD ARG A 40 -2.007 6.965 4.555 1.00 0.00 C ATOM 676 NE ARG A 40 -2.716 8.231 4.754 1.00 0.00 N ATOM 677 CZ ARG A 40 -3.437 8.567 5.823 1.00 0.00 C ATOM 678 NH1 ARG A 40 -3.491 7.759 6.886 1.00 0.00 N ATOM 679 NH2 ARG A 40 -4.093 9.725 5.831 1.00 0.00 N ATOM 0 H ARG A 40 -2.511 5.121 1.071 1.00 0.00 H new ATOM 0 HA ARG A 40 0.084 6.275 1.095 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.467 4.694 3.158 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.068 5.482 3.467 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.898 7.664 2.877 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.422 6.903 2.467 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.659 6.132 4.816 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.145 6.916 5.220 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.652 8.920 4.004 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.978 6.877 6.883 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.045 8.024 7.700 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.041 10.346 5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.648 9.991 6.645 1.00 0.00 H new ATOM 693 N LEU A 41 -0.056 3.028 0.940 1.00 0.00 N ATOM 694 CA LEU A 41 0.764 1.869 0.603 1.00 0.00 C ATOM 695 C LEU A 41 1.407 2.045 -0.766 1.00 0.00 C ATOM 696 O LEU A 41 2.553 1.665 -0.974 1.00 0.00 O ATOM 697 CB LEU A 41 -0.024 0.547 0.656 1.00 0.00 C ATOM 698 CG LEU A 41 -0.107 -0.186 2.014 1.00 0.00 C ATOM 699 CD1 LEU A 41 -0.770 0.653 3.089 1.00 0.00 C ATOM 700 CD2 LEU A 41 -0.831 -1.515 1.849 1.00 0.00 C ATOM 0 H LEU A 41 -1.057 2.840 0.992 1.00 0.00 H new ATOM 0 HA LEU A 41 1.544 1.807 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.041 0.749 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.419 -0.137 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 41 0.915 -0.370 2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.802 0.090 4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.200 1.570 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.785 0.903 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.884 -2.023 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.840 -1.336 1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.288 -2.139 1.139 1.00 0.00 H new ATOM 712 N LEU A 42 0.675 2.652 -1.689 1.00 0.00 N ATOM 713 CA LEU A 42 1.199 2.915 -3.021 1.00 0.00 C ATOM 714 C LEU A 42 2.340 3.930 -2.939 1.00 0.00 C ATOM 715 O LEU A 42 3.353 3.820 -3.643 1.00 0.00 O ATOM 716 CB LEU A 42 0.089 3.415 -3.953 1.00 0.00 C ATOM 717 CG LEU A 42 0.484 3.644 -5.415 1.00 0.00 C ATOM 718 CD1 LEU A 42 0.962 2.347 -6.053 1.00 0.00 C ATOM 719 CD2 LEU A 42 -0.683 4.223 -6.193 1.00 0.00 C ATOM 0 H LEU A 42 -0.282 2.971 -1.540 1.00 0.00 H new ATOM 0 HA LEU A 42 1.587 1.985 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.729 2.695 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.298 4.352 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 42 1.306 4.359 -5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.238 2.532 -7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.829 1.972 -5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.162 1.607 -6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.387 4.380 -7.230 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.524 3.530 -6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.978 5.175 -5.752 1.00 0.00 H new ATOM 731 N ASN A 43 2.198 4.877 -2.025 1.00 0.00 N ATOM 732 CA ASN A 43 3.223 5.898 -1.798 1.00 0.00 C ATOM 733 C ASN A 43 4.487 5.321 -1.226 1.00 0.00 C ATOM 734 O ASN A 43 5.530 5.943 -1.304 1.00 0.00 O ATOM 735 CB ASN A 43 2.732 7.069 -0.937 1.00 0.00 C ATOM 736 CG ASN A 43 2.031 8.145 -1.742 1.00 0.00 C ATOM 737 OD1 ASN A 43 2.666 9.078 -2.229 1.00 0.00 O ATOM 738 ND2 ASN A 43 0.741 8.041 -1.884 1.00 0.00 N ATOM 0 H ASN A 43 1.380 4.964 -1.422 1.00 0.00 H new ATOM 0 HA ASN A 43 3.448 6.298 -2.787 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.050 6.691 -0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.581 7.509 -0.415 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.228 8.747 -2.412 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.244 7.254 -1.467 1.00 0.00 H new ATOM 745 N LEU A 44 4.410 4.123 -0.677 1.00 0.00 N ATOM 746 CA LEU A 44 5.585 3.463 -0.141 1.00 0.00 C ATOM 747 C LEU A 44 6.563 3.126 -1.267 1.00 0.00 C ATOM 748 O LEU A 44 7.771 3.196 -1.081 1.00 0.00 O ATOM 749 CB LEU A 44 5.206 2.210 0.649 1.00 0.00 C ATOM 750 CG LEU A 44 4.372 2.431 1.920 1.00 0.00 C ATOM 751 CD1 LEU A 44 3.967 1.097 2.524 1.00 0.00 C ATOM 752 CD2 LEU A 44 5.151 3.255 2.939 1.00 0.00 C ATOM 0 H LEU A 44 3.546 3.587 -0.591 1.00 0.00 H new ATOM 0 HA LEU A 44 6.076 4.149 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.652 1.544 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.123 1.691 0.928 1.00 0.00 H new ATOM 0 HG LEU A 44 3.472 2.981 1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.377 1.269 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.373 0.536 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.860 0.527 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.542 3.400 3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.068 2.730 3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.400 4.225 2.508 1.00 0.00 H new ATOM 764 N LEU A 45 6.033 2.780 -2.439 1.00 0.00 N ATOM 765 CA LEU A 45 6.870 2.536 -3.619 1.00 0.00 C ATOM 766 C LEU A 45 7.393 3.847 -4.147 1.00 0.00 C ATOM 767 O LEU A 45 8.568 3.972 -4.513 1.00 0.00 O ATOM 768 CB LEU A 45 6.119 1.805 -4.748 1.00 0.00 C ATOM 769 CG LEU A 45 5.794 0.316 -4.556 1.00 0.00 C ATOM 770 CD1 LEU A 45 4.798 0.082 -3.438 1.00 0.00 C ATOM 771 CD2 LEU A 45 5.284 -0.267 -5.855 1.00 0.00 C ATOM 0 H LEU A 45 5.033 2.662 -2.600 1.00 0.00 H new ATOM 0 HA LEU A 45 7.687 1.890 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.180 2.332 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.710 1.902 -5.659 1.00 0.00 H new ATOM 0 HG LEU A 45 6.715 -0.189 -4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.602 -0.986 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.207 0.461 -2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.868 0.603 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.055 -1.323 -5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.382 0.262 -6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.047 -0.161 -6.626 1.00 0.00 H new ATOM 783 N ILE A 46 6.510 4.838 -4.158 1.00 0.00 N ATOM 784 CA ILE A 46 6.826 6.179 -4.622 1.00 0.00 C ATOM 785 C ILE A 46 7.945 6.780 -3.764 1.00 0.00 C ATOM 786 O ILE A 46 8.751 7.552 -4.243 1.00 0.00 O ATOM 787 CB ILE A 46 5.561 7.093 -4.584 1.00 0.00 C ATOM 788 CG1 ILE A 46 4.438 6.473 -5.439 1.00 0.00 C ATOM 789 CG2 ILE A 46 5.884 8.506 -5.074 1.00 0.00 C ATOM 790 CD1 ILE A 46 3.136 7.252 -5.427 1.00 0.00 C ATOM 0 H ILE A 46 5.546 4.730 -3.842 1.00 0.00 H new ATOM 0 HA ILE A 46 7.167 6.116 -5.656 1.00 0.00 H new ATOM 0 HB ILE A 46 5.224 7.167 -3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.787 6.388 -6.468 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.245 5.461 -5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.984 9.119 -5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.650 8.946 -4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.249 8.461 -6.100 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.403 6.745 -6.054 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.759 7.315 -4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.310 8.257 -5.812 1.00 0.00 H new ATOM 802 N GLU A 47 7.997 6.362 -2.509 1.00 0.00 N ATOM 803 CA GLU A 47 8.996 6.798 -1.551 1.00 0.00 C ATOM 804 C GLU A 47 10.414 6.446 -2.039 1.00 0.00 C ATOM 805 O GLU A 47 11.353 7.202 -1.826 1.00 0.00 O ATOM 806 CB GLU A 47 8.722 6.137 -0.204 1.00 0.00 C ATOM 807 CG GLU A 47 9.540 6.673 0.955 1.00 0.00 C ATOM 808 CD GLU A 47 9.156 8.078 1.338 1.00 0.00 C ATOM 809 OE1 GLU A 47 8.153 8.245 2.060 1.00 0.00 O ATOM 810 OE2 GLU A 47 9.844 9.036 0.950 1.00 0.00 O ATOM 0 H GLU A 47 7.330 5.695 -2.121 1.00 0.00 H new ATOM 0 HA GLU A 47 8.937 7.881 -1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.665 6.255 0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.910 5.067 -0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.413 6.018 1.817 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.597 6.649 0.690 1.00 0.00 H new